USER MOD reduce.3.24.130724 H: found=0, std=0, add=766, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 765 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -117:sc= 0.1 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.015) USER MOD Single : A 9 THR OG1 : rot 166:sc= 1.18 USER MOD Single : A 11 ASN : amide:sc= -0.807! C(o=-0.81!,f=-5.4!) USER MOD Single : A 13 ASN : amide:sc= -3.11! C(o=-3.1!,f=-3.1!) USER MOD Single : A 15 LYS NZ :NH3+ -155:sc= -0.0662 (180deg=-0.484) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -1.21 F(o=-7.8!,f=-1.2) USER MOD Single : A 25 GLN : amide:sc= -2.95! C(o=-3!,f=-6!) USER MOD Single : A 27 LYS NZ :NH3+ 163:sc= 1 (180deg=0.0874) USER MOD Single : A 31 THR OG1 : rot -82:sc= 0.461 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -169:sc= 0.0413 USER MOD Single : A 47 LYS NZ :NH3+ 148:sc= -0.0628 (180deg=-0.522) USER MOD Single : A 51 LYS NZ :NH3+ 158:sc= 0.678 (180deg=0.0694) USER MOD Single : A 52 SER OG : rot 180:sc= -1.87 USER MOD Single : A 55 SER OG : rot 180:sc= -1.61 USER MOD Single : A 58 MET CE :methyl 154:sc= -0.263 (180deg=-1.44!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.106 F(o=-0.7,f=-0.11) USER MOD Single : A 71 GLN : amide:sc= -2.68 K(o=-2.7,f=-5!) USER MOD Single : A 77 LYS NZ :NH3+ -179:sc= -2.08 (180deg=-2.26) USER MOD Single : A 80 ASN : amide:sc= -1.84 X(o=-1.8,f=-1.5!) USER MOD Single : A 83 LYS NZ :NH3+ -157:sc= -0.269 (180deg=-1.2!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN :FLIP amide:sc= -2.09! C(o=-5.4!,f=-2.1!) USER MOD Single : A 93 GLN :FLIP amide:sc= -0.0701 F(o=-1.6!,f=-0.07) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0367 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -1.46 F(o=-2.1!,f=-1.5) USER MOD Single : A 103 GLN :FLIP amide:sc= 0.0048 F(o=-1.2,f=0.0048) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.218 11.457 21.327 1.00 0.00 N ATOM 2 CA ALA A 1 1.221 10.591 20.641 1.00 0.00 C ATOM 3 C ALA A 1 1.942 9.449 19.915 1.00 0.00 C ATOM 4 O ALA A 1 3.147 9.324 19.986 1.00 0.00 O ATOM 5 CB ALA A 1 0.434 11.425 19.627 1.00 0.00 C ATOM 0 H1 ALA A 1 2.059 11.423 22.354 1.00 0.00 H new ATOM 0 H2 ALA A 1 3.178 11.118 21.114 1.00 0.00 H new ATOM 0 H3 ALA A 1 2.115 12.437 20.993 1.00 0.00 H new ATOM 0 HA ALA A 1 0.536 10.173 21.379 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -0.297 10.792 19.124 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -0.082 12.234 20.144 1.00 0.00 H new ATOM 0 HB3 ALA A 1 1.119 11.844 18.890 1.00 0.00 H new ATOM 13 N ASP A 2 1.195 8.625 19.221 1.00 0.00 N ATOM 14 CA ASP A 2 1.786 7.473 18.468 1.00 0.00 C ATOM 15 C ASP A 2 2.854 6.746 19.296 1.00 0.00 C ATOM 16 O ASP A 2 3.104 7.066 20.440 1.00 0.00 O ATOM 17 CB ASP A 2 2.402 7.961 17.154 1.00 0.00 C ATOM 18 CG ASP A 2 3.312 9.161 17.413 1.00 0.00 C ATOM 19 OD1 ASP A 2 4.382 8.960 17.968 1.00 0.00 O ATOM 20 OD2 ASP A 2 2.925 10.261 17.057 1.00 0.00 O ATOM 0 H ASP A 2 0.181 8.704 19.143 1.00 0.00 H new ATOM 0 HA ASP A 2 0.980 6.770 18.257 1.00 0.00 H new ATOM 0 HB2 ASP A 2 2.972 7.156 16.690 1.00 0.00 H new ATOM 0 HB3 ASP A 2 1.613 8.237 16.454 1.00 0.00 H new ATOM 25 N LEU A 3 3.472 5.747 18.709 1.00 0.00 N ATOM 26 CA LEU A 3 4.522 4.950 19.417 1.00 0.00 C ATOM 27 C LEU A 3 5.811 4.959 18.590 1.00 0.00 C ATOM 28 O LEU A 3 6.898 4.884 19.124 1.00 0.00 O ATOM 29 CB LEU A 3 4.058 3.489 19.563 1.00 0.00 C ATOM 30 CG LEU A 3 2.601 3.425 20.029 1.00 0.00 C ATOM 31 CD1 LEU A 3 2.127 1.969 20.012 1.00 0.00 C ATOM 32 CD2 LEU A 3 2.493 3.969 21.453 1.00 0.00 C ATOM 0 H LEU A 3 3.288 5.447 17.752 1.00 0.00 H new ATOM 0 HA LEU A 3 4.695 5.389 20.400 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.162 2.973 18.609 1.00 0.00 H new ATOM 0 HB3 LEU A 3 4.696 2.970 20.278 1.00 0.00 H new ATOM 0 HG LEU A 3 1.982 4.024 19.361 1.00 0.00 H new ATOM 0 HD11 LEU A 3 1.090 1.920 20.343 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.203 1.573 18.999 1.00 0.00 H new ATOM 0 HD13 LEU A 3 2.750 1.376 20.681 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.455 3.922 21.783 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.113 3.369 22.120 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.834 5.004 21.474 1.00 0.00 H new ATOM 44 N GLU A 4 5.686 5.020 17.288 1.00 0.00 N ATOM 45 CA GLU A 4 6.891 5.004 16.402 1.00 0.00 C ATOM 46 C GLU A 4 7.672 3.712 16.646 1.00 0.00 C ATOM 47 O GLU A 4 8.871 3.652 16.465 1.00 0.00 O ATOM 48 CB GLU A 4 7.781 6.220 16.688 1.00 0.00 C ATOM 49 CG GLU A 4 6.974 7.497 16.460 1.00 0.00 C ATOM 50 CD GLU A 4 6.721 7.677 14.963 1.00 0.00 C ATOM 51 OE1 GLU A 4 7.558 8.275 14.308 1.00 0.00 O ATOM 52 OE2 GLU A 4 5.694 7.213 14.497 1.00 0.00 O ATOM 0 H GLU A 4 4.794 5.081 16.797 1.00 0.00 H new ATOM 0 HA GLU A 4 6.574 5.050 15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 4 8.147 6.185 17.714 1.00 0.00 H new ATOM 0 HB3 GLU A 4 8.655 6.207 16.037 1.00 0.00 H new ATOM 0 HG2 GLU A 4 6.027 7.442 16.996 1.00 0.00 H new ATOM 0 HG3 GLU A 4 7.514 8.357 16.855 1.00 0.00 H new ATOM 59 N ASP A 5 6.990 2.677 17.054 1.00 0.00 N ATOM 60 CA ASP A 5 7.671 1.380 17.312 1.00 0.00 C ATOM 61 C ASP A 5 6.633 0.257 17.238 1.00 0.00 C ATOM 62 O ASP A 5 5.776 0.250 16.376 1.00 0.00 O ATOM 63 CB ASP A 5 8.293 1.416 18.709 1.00 0.00 C ATOM 64 CG ASP A 5 9.201 0.202 18.905 1.00 0.00 C ATOM 65 OD1 ASP A 5 9.900 -0.150 17.970 1.00 0.00 O ATOM 66 OD2 ASP A 5 9.181 -0.356 19.989 1.00 0.00 O ATOM 0 H ASP A 5 5.984 2.676 17.220 1.00 0.00 H new ATOM 0 HA ASP A 5 8.452 1.207 16.572 1.00 0.00 H new ATOM 0 HB2 ASP A 5 8.866 2.334 18.838 1.00 0.00 H new ATOM 0 HB3 ASP A 5 7.509 1.421 19.466 1.00 0.00 H new ATOM 71 N ASN A 6 6.685 -0.681 18.142 1.00 0.00 N ATOM 72 CA ASN A 6 5.689 -1.781 18.132 1.00 0.00 C ATOM 73 C ASN A 6 5.575 -2.367 16.721 1.00 0.00 C ATOM 74 O ASN A 6 4.490 -2.547 16.205 1.00 0.00 O ATOM 75 CB ASN A 6 4.346 -1.207 18.562 1.00 0.00 C ATOM 76 CG ASN A 6 4.355 -0.949 20.071 1.00 0.00 C ATOM 77 OD1 ASN A 6 3.828 -1.728 20.839 1.00 0.00 O ATOM 78 ND2 ASN A 6 4.943 0.125 20.530 1.00 0.00 N ATOM 0 H ASN A 6 7.378 -0.731 18.889 1.00 0.00 H new ATOM 0 HA ASN A 6 5.997 -2.574 18.813 1.00 0.00 H new ATOM 0 HB2 ASN A 6 4.148 -0.279 18.026 1.00 0.00 H new ATOM 0 HB3 ASN A 6 3.545 -1.900 18.307 1.00 0.00 H new ATOM 0 HD21 ASN A 6 4.959 0.308 21.533 1.00 0.00 H new ATOM 0 HD22 ASN A 6 5.386 0.779 19.885 1.00 0.00 H new ATOM 85 N ASP A 7 6.682 -2.655 16.085 1.00 0.00 N ATOM 86 CA ASP A 7 6.621 -3.216 14.702 1.00 0.00 C ATOM 87 C ASP A 7 7.803 -4.168 14.462 1.00 0.00 C ATOM 88 O ASP A 7 7.934 -5.182 15.118 1.00 0.00 O ATOM 89 CB ASP A 7 6.656 -2.060 13.700 1.00 0.00 C ATOM 90 CG ASP A 7 7.977 -1.299 13.850 1.00 0.00 C ATOM 91 OD1 ASP A 7 8.142 -0.633 14.859 1.00 0.00 O ATOM 92 OD2 ASP A 7 8.801 -1.399 12.957 1.00 0.00 O ATOM 0 H ASP A 7 7.621 -2.527 16.462 1.00 0.00 H new ATOM 0 HA ASP A 7 5.698 -3.782 14.575 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.556 -2.441 12.684 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.815 -1.389 13.872 1.00 0.00 H new ATOM 97 N GLU A 8 8.660 -3.864 13.519 1.00 0.00 N ATOM 98 CA GLU A 8 9.810 -4.766 13.243 1.00 0.00 C ATOM 99 C GLU A 8 10.923 -4.505 14.253 1.00 0.00 C ATOM 100 O GLU A 8 12.071 -4.836 14.028 1.00 0.00 O ATOM 101 CB GLU A 8 10.332 -4.509 11.830 1.00 0.00 C ATOM 102 CG GLU A 8 9.223 -4.801 10.819 1.00 0.00 C ATOM 103 CD GLU A 8 8.940 -6.302 10.790 1.00 0.00 C ATOM 104 OE1 GLU A 8 9.856 -7.053 10.494 1.00 0.00 O ATOM 105 OE2 GLU A 8 7.811 -6.676 11.059 1.00 0.00 O ATOM 0 H GLU A 8 8.610 -3.031 12.932 1.00 0.00 H new ATOM 0 HA GLU A 8 9.483 -5.802 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 8 10.663 -3.475 11.735 1.00 0.00 H new ATOM 0 HB3 GLU A 8 11.198 -5.140 11.630 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.319 -4.255 11.088 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.520 -4.457 9.828 1.00 0.00 H new ATOM 112 N THR A 9 10.591 -3.923 15.370 1.00 0.00 N ATOM 113 CA THR A 9 11.612 -3.645 16.407 1.00 0.00 C ATOM 114 C THR A 9 11.676 -4.858 17.340 1.00 0.00 C ATOM 115 O THR A 9 12.163 -4.802 18.451 1.00 0.00 O ATOM 116 CB THR A 9 11.188 -2.375 17.161 1.00 0.00 C ATOM 117 OG1 THR A 9 11.419 -1.246 16.330 1.00 0.00 O ATOM 118 CG2 THR A 9 11.979 -2.212 18.458 1.00 0.00 C ATOM 0 H THR A 9 9.645 -3.626 15.608 1.00 0.00 H new ATOM 0 HA THR A 9 12.601 -3.481 15.979 1.00 0.00 H new ATOM 0 HB THR A 9 10.130 -2.458 17.412 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.948 -0.468 16.696 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.657 -1.305 18.969 1.00 0.00 H new ATOM 0 HG22 THR A 9 11.803 -3.073 19.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 13.042 -2.141 18.229 1.00 0.00 H new ATOM 126 N GLY A 10 11.184 -5.969 16.868 1.00 0.00 N ATOM 127 CA GLY A 10 11.202 -7.211 17.689 1.00 0.00 C ATOM 128 C GLY A 10 10.400 -6.975 18.965 1.00 0.00 C ATOM 129 O GLY A 10 10.882 -7.168 20.061 1.00 0.00 O ATOM 0 H GLY A 10 10.767 -6.070 15.942 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.777 -8.041 17.125 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.228 -7.485 17.935 1.00 0.00 H new ATOM 133 N ASN A 11 9.176 -6.547 18.823 1.00 0.00 N ATOM 134 CA ASN A 11 8.326 -6.283 20.012 1.00 0.00 C ATOM 135 C ASN A 11 7.602 -7.570 20.422 1.00 0.00 C ATOM 136 O ASN A 11 8.182 -8.639 20.439 1.00 0.00 O ATOM 137 CB ASN A 11 7.311 -5.199 19.647 1.00 0.00 C ATOM 138 CG ASN A 11 6.567 -4.739 20.901 1.00 0.00 C ATOM 139 OD1 ASN A 11 5.449 -5.150 21.141 1.00 0.00 O ATOM 140 ND2 ASN A 11 7.140 -3.900 21.715 1.00 0.00 N ATOM 0 H ASN A 11 8.727 -6.368 17.925 1.00 0.00 H new ATOM 0 HA ASN A 11 8.938 -5.948 20.850 1.00 0.00 H new ATOM 0 HB2 ASN A 11 7.820 -4.353 19.185 1.00 0.00 H new ATOM 0 HB3 ASN A 11 6.602 -5.584 18.914 1.00 0.00 H new ATOM 0 HD21 ASN A 11 6.650 -3.588 22.554 1.00 0.00 H new ATOM 0 HD22 ASN A 11 8.078 -3.555 21.514 1.00 0.00 H new ATOM 147 N ASP A 12 6.340 -7.479 20.750 1.00 0.00 N ATOM 148 CA ASP A 12 5.564 -8.689 21.157 1.00 0.00 C ATOM 149 C ASP A 12 4.692 -9.137 19.989 1.00 0.00 C ATOM 150 O ASP A 12 3.835 -9.986 20.129 1.00 0.00 O ATOM 151 CB ASP A 12 4.667 -8.332 22.345 1.00 0.00 C ATOM 152 CG ASP A 12 4.028 -9.604 22.903 1.00 0.00 C ATOM 153 OD1 ASP A 12 3.003 -10.005 22.378 1.00 0.00 O ATOM 154 OD2 ASP A 12 4.573 -10.152 23.846 1.00 0.00 O ATOM 0 H ASP A 12 5.808 -6.609 20.753 1.00 0.00 H new ATOM 0 HA ASP A 12 6.247 -9.491 21.438 1.00 0.00 H new ATOM 0 HB2 ASP A 12 5.252 -7.836 23.120 1.00 0.00 H new ATOM 0 HB3 ASP A 12 3.893 -7.631 22.032 1.00 0.00 H new ATOM 159 N ASN A 13 4.900 -8.569 18.834 1.00 0.00 N ATOM 160 CA ASN A 13 4.081 -8.954 17.659 1.00 0.00 C ATOM 161 C ASN A 13 4.850 -8.629 16.386 1.00 0.00 C ATOM 162 O ASN A 13 4.534 -7.703 15.665 1.00 0.00 O ATOM 163 CB ASN A 13 2.774 -8.176 17.677 1.00 0.00 C ATOM 164 CG ASN A 13 2.018 -8.490 18.969 1.00 0.00 C ATOM 165 OD1 ASN A 13 2.029 -7.708 19.900 1.00 0.00 O ATOM 166 ND2 ASN A 13 1.359 -9.609 19.070 1.00 0.00 N ATOM 0 H ASN A 13 5.605 -7.853 18.656 1.00 0.00 H new ATOM 0 HA ASN A 13 3.866 -10.022 17.694 1.00 0.00 H new ATOM 0 HB2 ASN A 13 2.973 -7.106 17.609 1.00 0.00 H new ATOM 0 HB3 ASN A 13 2.166 -8.443 16.812 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.854 -9.828 19.929 1.00 0.00 H new ATOM 0 HD22 ASN A 13 1.348 -10.267 18.290 1.00 0.00 H new ATOM 173 N GLY A 14 5.862 -9.391 16.114 1.00 0.00 N ATOM 174 CA GLY A 14 6.683 -9.153 14.893 1.00 0.00 C ATOM 175 C GLY A 14 7.259 -10.479 14.398 1.00 0.00 C ATOM 176 O GLY A 14 8.366 -10.541 13.903 1.00 0.00 O ATOM 0 H GLY A 14 6.163 -10.178 16.688 1.00 0.00 H new ATOM 0 HA2 GLY A 14 6.072 -8.697 14.114 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.490 -8.454 15.115 1.00 0.00 H new ATOM 180 N LYS A 15 6.511 -11.544 14.516 1.00 0.00 N ATOM 181 CA LYS A 15 7.017 -12.857 14.039 1.00 0.00 C ATOM 182 C LYS A 15 6.896 -12.894 12.515 1.00 0.00 C ATOM 183 O LYS A 15 6.815 -13.945 11.910 1.00 0.00 O ATOM 184 CB LYS A 15 6.181 -14.004 14.637 1.00 0.00 C ATOM 185 CG LYS A 15 6.033 -13.841 16.162 1.00 0.00 C ATOM 186 CD LYS A 15 7.285 -14.368 16.889 1.00 0.00 C ATOM 187 CE LYS A 15 7.157 -15.876 17.154 1.00 0.00 C ATOM 188 NZ LYS A 15 6.119 -16.112 18.200 1.00 0.00 N ATOM 0 H LYS A 15 5.575 -11.558 14.921 1.00 0.00 H new ATOM 0 HA LYS A 15 8.055 -12.981 14.349 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.195 -14.021 14.172 1.00 0.00 H new ATOM 0 HB3 LYS A 15 6.656 -14.960 14.414 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.879 -12.790 16.407 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.151 -14.381 16.507 1.00 0.00 H new ATOM 0 HD2 LYS A 15 8.172 -14.172 16.287 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.416 -13.837 17.832 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.887 -16.396 16.235 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.115 -16.281 17.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 6.308 -17.015 18.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 6.145 -15.339 18.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.180 -16.147 17.755 1.00 0.00 H new ATOM 202 N GLY A 16 6.889 -11.746 11.889 1.00 0.00 N ATOM 203 CA GLY A 16 6.782 -11.700 10.402 1.00 0.00 C ATOM 204 C GLY A 16 8.184 -11.848 9.809 1.00 0.00 C ATOM 205 O GLY A 16 8.369 -11.859 8.608 1.00 0.00 O ATOM 0 H GLY A 16 6.953 -10.836 12.346 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.133 -12.499 10.044 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.334 -10.759 10.084 1.00 0.00 H new ATOM 209 N GLY A 17 9.171 -11.979 10.653 1.00 0.00 N ATOM 210 CA GLY A 17 10.568 -12.148 10.165 1.00 0.00 C ATOM 211 C GLY A 17 10.828 -13.635 9.963 1.00 0.00 C ATOM 212 O GLY A 17 11.936 -14.058 9.694 1.00 0.00 O ATOM 0 H GLY A 17 9.068 -11.976 11.668 1.00 0.00 H new ATOM 0 HA2 GLY A 17 10.711 -11.607 9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 17 11.274 -11.733 10.884 1.00 0.00 H new ATOM 216 N GLU A 18 9.803 -14.440 10.101 1.00 0.00 N ATOM 217 CA GLU A 18 9.968 -15.911 9.934 1.00 0.00 C ATOM 218 C GLU A 18 8.677 -16.510 9.357 1.00 0.00 C ATOM 219 O GLU A 18 8.506 -17.714 9.323 1.00 0.00 O ATOM 220 CB GLU A 18 10.270 -16.538 11.307 1.00 0.00 C ATOM 221 CG GLU A 18 11.076 -17.826 11.122 1.00 0.00 C ATOM 222 CD GLU A 18 11.395 -18.431 12.489 1.00 0.00 C ATOM 223 OE1 GLU A 18 12.242 -17.881 13.173 1.00 0.00 O ATOM 224 OE2 GLU A 18 10.787 -19.431 12.827 1.00 0.00 O ATOM 0 H GLU A 18 8.855 -14.136 10.323 1.00 0.00 H new ATOM 0 HA GLU A 18 10.791 -16.118 9.250 1.00 0.00 H new ATOM 0 HB2 GLU A 18 10.829 -15.834 11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 18 9.339 -16.753 11.832 1.00 0.00 H new ATOM 0 HG2 GLU A 18 10.510 -18.538 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.999 -17.615 10.582 1.00 0.00 H new ATOM 231 N LYS A 19 7.770 -15.690 8.900 1.00 0.00 N ATOM 232 CA LYS A 19 6.506 -16.236 8.325 1.00 0.00 C ATOM 233 C LYS A 19 6.821 -16.855 6.965 1.00 0.00 C ATOM 234 O LYS A 19 6.992 -18.051 6.840 1.00 0.00 O ATOM 235 CB LYS A 19 5.483 -15.102 8.159 1.00 0.00 C ATOM 236 CG LYS A 19 4.237 -15.600 7.403 1.00 0.00 C ATOM 237 CD LYS A 19 3.635 -16.834 8.111 1.00 0.00 C ATOM 238 CE LYS A 19 2.114 -16.911 7.868 1.00 0.00 C ATOM 239 NZ LYS A 19 1.405 -16.249 9.001 1.00 0.00 N ATOM 0 H LYS A 19 7.847 -14.673 8.899 1.00 0.00 H new ATOM 0 HA LYS A 19 6.087 -16.992 8.989 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.192 -14.721 9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.937 -14.273 7.616 1.00 0.00 H new ATOM 0 HG2 LYS A 19 3.494 -14.804 7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.504 -15.855 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.114 -17.741 7.742 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.836 -16.780 9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.858 -16.423 6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.799 -17.951 7.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.378 -16.297 8.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.642 -16.734 9.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.700 -15.253 9.061 1.00 0.00 H new ATOM 253 N ALA A 20 6.913 -16.051 5.943 1.00 0.00 N ATOM 254 CA ALA A 20 7.231 -16.592 4.594 1.00 0.00 C ATOM 255 C ALA A 20 6.228 -17.680 4.219 1.00 0.00 C ATOM 256 O ALA A 20 6.585 -18.829 4.037 1.00 0.00 O ATOM 257 CB ALA A 20 8.642 -17.187 4.608 1.00 0.00 C ATOM 0 H ALA A 20 6.781 -15.040 5.985 1.00 0.00 H new ATOM 0 HA ALA A 20 7.176 -15.786 3.862 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.879 -17.585 3.621 1.00 0.00 H new ATOM 0 HB2 ALA A 20 9.362 -16.411 4.869 1.00 0.00 H new ATOM 0 HB3 ALA A 20 8.691 -17.990 5.344 1.00 0.00 H new ATOM 263 N ASP A 21 4.979 -17.329 4.067 1.00 0.00 N ATOM 264 CA ASP A 21 3.978 -18.348 3.668 1.00 0.00 C ATOM 265 C ASP A 21 4.123 -18.531 2.170 1.00 0.00 C ATOM 266 O ASP A 21 3.459 -19.333 1.547 1.00 0.00 O ATOM 267 CB ASP A 21 2.570 -17.856 4.009 1.00 0.00 C ATOM 268 CG ASP A 21 1.572 -18.998 3.824 1.00 0.00 C ATOM 269 OD1 ASP A 21 2.011 -20.105 3.567 1.00 0.00 O ATOM 270 OD2 ASP A 21 0.385 -18.745 3.945 1.00 0.00 O ATOM 0 H ASP A 21 4.615 -16.386 4.202 1.00 0.00 H new ATOM 0 HA ASP A 21 4.137 -19.289 4.194 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.539 -17.495 5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.301 -17.017 3.368 1.00 0.00 H new ATOM 275 N ASN A 22 5.013 -17.768 1.601 1.00 0.00 N ATOM 276 CA ASN A 22 5.267 -17.834 0.144 1.00 0.00 C ATOM 277 C ASN A 22 3.940 -17.690 -0.618 1.00 0.00 C ATOM 278 O ASN A 22 3.161 -18.617 -0.683 1.00 0.00 O ATOM 279 CB ASN A 22 5.938 -19.184 -0.202 1.00 0.00 C ATOM 280 CG ASN A 22 7.466 -19.033 -0.239 1.00 0.00 C ATOM 281 OD1 ASN A 22 8.033 -18.427 -1.248 1.00 0.00 O flip ATOM 282 ND2 ASN A 22 8.150 -19.474 0.662 1.00 0.00 N flip ATOM 0 H ASN A 22 5.586 -17.087 2.100 1.00 0.00 H new ATOM 0 HA ASN A 22 5.932 -17.021 -0.149 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.659 -19.935 0.537 1.00 0.00 H new ATOM 0 HB3 ASN A 22 5.578 -19.538 -1.168 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.710 -19.948 1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 22 9.164 -19.371 0.630 1.00 0.00 H new ATOM 289 N ALA A 23 3.708 -16.527 -1.194 1.00 0.00 N ATOM 290 CA ALA A 23 2.457 -16.254 -1.994 1.00 0.00 C ATOM 291 C ALA A 23 1.370 -15.605 -1.129 1.00 0.00 C ATOM 292 O ALA A 23 0.781 -14.613 -1.512 1.00 0.00 O ATOM 293 CB ALA A 23 1.903 -17.544 -2.624 1.00 0.00 C ATOM 0 H ALA A 23 4.349 -15.735 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 23 2.736 -15.562 -2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.002 -17.313 -3.193 1.00 0.00 H new ATOM 0 HB2 ALA A 23 2.652 -17.975 -3.289 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.662 -18.259 -1.837 1.00 0.00 H new ATOM 299 N ALA A 24 1.085 -16.145 0.019 1.00 0.00 N ATOM 300 CA ALA A 24 0.023 -15.534 0.868 1.00 0.00 C ATOM 301 C ALA A 24 0.488 -14.143 1.329 1.00 0.00 C ATOM 302 O ALA A 24 -0.041 -13.132 0.913 1.00 0.00 O ATOM 303 CB ALA A 24 -0.258 -16.451 2.077 1.00 0.00 C ATOM 0 H ALA A 24 1.535 -16.975 0.406 1.00 0.00 H new ATOM 0 HA ALA A 24 -0.900 -15.424 0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.034 -16.005 2.699 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.591 -17.427 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.653 -16.569 2.663 1.00 0.00 H new ATOM 309 N GLN A 25 1.472 -14.087 2.184 1.00 0.00 N ATOM 310 CA GLN A 25 1.968 -12.765 2.671 1.00 0.00 C ATOM 311 C GLN A 25 2.435 -11.917 1.485 1.00 0.00 C ATOM 312 O GLN A 25 2.569 -10.712 1.583 1.00 0.00 O ATOM 313 CB GLN A 25 3.134 -12.994 3.656 1.00 0.00 C ATOM 314 CG GLN A 25 4.465 -13.189 2.902 1.00 0.00 C ATOM 315 CD GLN A 25 5.082 -11.825 2.558 1.00 0.00 C ATOM 316 OE1 GLN A 25 4.655 -10.805 3.062 1.00 0.00 O ATOM 317 NE2 GLN A 25 6.071 -11.763 1.708 1.00 0.00 N ATOM 0 H GLN A 25 1.955 -14.899 2.568 1.00 0.00 H new ATOM 0 HA GLN A 25 1.164 -12.235 3.182 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.216 -12.143 4.332 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.929 -13.870 4.271 1.00 0.00 H new ATOM 0 HG2 GLN A 25 5.158 -13.766 3.515 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.295 -13.760 1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 25 6.432 -12.617 1.283 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.482 -10.861 1.469 1.00 0.00 H new ATOM 326 N VAL A 26 2.705 -12.536 0.371 1.00 0.00 N ATOM 327 CA VAL A 26 3.190 -11.765 -0.803 1.00 0.00 C ATOM 328 C VAL A 26 2.093 -10.839 -1.328 1.00 0.00 C ATOM 329 O VAL A 26 2.260 -9.640 -1.359 1.00 0.00 O ATOM 330 CB VAL A 26 3.613 -12.732 -1.902 1.00 0.00 C ATOM 331 CG1 VAL A 26 4.100 -11.942 -3.113 1.00 0.00 C ATOM 332 CG2 VAL A 26 4.750 -13.611 -1.386 1.00 0.00 C ATOM 0 H VAL A 26 2.611 -13.541 0.224 1.00 0.00 H new ATOM 0 HA VAL A 26 4.041 -11.157 -0.498 1.00 0.00 H new ATOM 0 HB VAL A 26 2.765 -13.354 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.403 -12.633 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.295 -11.305 -3.479 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.950 -11.323 -2.826 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.057 -14.305 -2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.596 -12.984 -1.105 1.00 0.00 H new ATOM 0 HG23 VAL A 26 4.410 -14.172 -0.516 1.00 0.00 H new ATOM 342 N LYS A 27 0.978 -11.369 -1.749 1.00 0.00 N ATOM 343 CA LYS A 27 -0.101 -10.485 -2.280 1.00 0.00 C ATOM 344 C LYS A 27 -0.654 -9.599 -1.159 1.00 0.00 C ATOM 345 O LYS A 27 -0.996 -8.453 -1.374 1.00 0.00 O ATOM 346 CB LYS A 27 -1.228 -11.346 -2.864 1.00 0.00 C ATOM 347 CG LYS A 27 -1.991 -12.048 -1.733 1.00 0.00 C ATOM 348 CD LYS A 27 -2.876 -13.147 -2.320 1.00 0.00 C ATOM 349 CE LYS A 27 -3.588 -13.891 -1.188 1.00 0.00 C ATOM 350 NZ LYS A 27 -4.104 -12.908 -0.193 1.00 0.00 N ATOM 0 H LYS A 27 0.767 -12.367 -1.749 1.00 0.00 H new ATOM 0 HA LYS A 27 0.312 -9.848 -3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.910 -10.723 -3.442 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -0.814 -12.086 -3.549 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.289 -12.475 -1.017 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.601 -11.327 -1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.608 -12.713 -3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.272 -13.842 -2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.410 -14.484 -1.589 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.900 -14.585 -0.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.819 -13.365 0.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.319 -12.569 0.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.534 -12.103 -0.691 1.00 0.00 H new ATOM 364 N ASP A 28 -0.746 -10.117 0.032 1.00 0.00 N ATOM 365 CA ASP A 28 -1.283 -9.307 1.161 1.00 0.00 C ATOM 366 C ASP A 28 -0.440 -8.041 1.339 1.00 0.00 C ATOM 367 O ASP A 28 -0.957 -6.969 1.591 1.00 0.00 O ATOM 368 CB ASP A 28 -1.225 -10.137 2.445 1.00 0.00 C ATOM 369 CG ASP A 28 -2.067 -11.402 2.278 1.00 0.00 C ATOM 370 OD1 ASP A 28 -2.187 -11.863 1.154 1.00 0.00 O ATOM 371 OD2 ASP A 28 -2.574 -11.889 3.274 1.00 0.00 O ATOM 0 H ASP A 28 -0.472 -11.069 0.274 1.00 0.00 H new ATOM 0 HA ASP A 28 -2.314 -9.025 0.946 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.192 -10.403 2.672 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.595 -9.550 3.286 1.00 0.00 H new ATOM 376 N ALA A 29 0.850 -8.151 1.206 1.00 0.00 N ATOM 377 CA ALA A 29 1.721 -6.961 1.360 1.00 0.00 C ATOM 378 C ALA A 29 1.398 -5.972 0.253 1.00 0.00 C ATOM 379 O ALA A 29 1.208 -4.796 0.490 1.00 0.00 O ATOM 380 CB ALA A 29 3.186 -7.400 1.273 1.00 0.00 C ATOM 0 H ALA A 29 1.340 -9.021 0.996 1.00 0.00 H new ATOM 0 HA ALA A 29 1.551 -6.485 2.326 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.834 -6.531 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 29 3.399 -8.116 2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 29 3.369 -7.866 0.305 1.00 0.00 H new ATOM 386 N LEU A 30 1.332 -6.439 -0.953 1.00 0.00 N ATOM 387 CA LEU A 30 1.019 -5.528 -2.075 1.00 0.00 C ATOM 388 C LEU A 30 -0.375 -4.920 -1.876 1.00 0.00 C ATOM 389 O LEU A 30 -0.544 -3.718 -1.920 1.00 0.00 O ATOM 390 CB LEU A 30 1.098 -6.298 -3.392 1.00 0.00 C ATOM 391 CG LEU A 30 2.418 -7.079 -3.453 1.00 0.00 C ATOM 392 CD1 LEU A 30 2.424 -7.963 -4.700 1.00 0.00 C ATOM 393 CD2 LEU A 30 3.600 -6.102 -3.510 1.00 0.00 C ATOM 0 H LEU A 30 1.482 -7.414 -1.211 1.00 0.00 H new ATOM 0 HA LEU A 30 1.744 -4.715 -2.105 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.254 -6.983 -3.476 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.033 -5.608 -4.233 1.00 0.00 H new ATOM 0 HG LEU A 30 2.512 -7.700 -2.562 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.360 -8.519 -4.747 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.588 -8.662 -4.655 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.328 -7.339 -5.589 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.534 -6.663 -3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.512 -5.475 -4.398 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.595 -5.473 -2.620 1.00 0.00 H new ATOM 405 N THR A 31 -1.372 -5.735 -1.648 1.00 0.00 N ATOM 406 CA THR A 31 -2.751 -5.194 -1.435 1.00 0.00 C ATOM 407 C THR A 31 -2.750 -4.286 -0.200 1.00 0.00 C ATOM 408 O THR A 31 -3.476 -3.315 -0.127 1.00 0.00 O ATOM 409 CB THR A 31 -3.738 -6.354 -1.217 1.00 0.00 C ATOM 410 OG1 THR A 31 -3.091 -7.389 -0.494 1.00 0.00 O ATOM 411 CG2 THR A 31 -4.213 -6.902 -2.564 1.00 0.00 C ATOM 0 H THR A 31 -1.293 -6.751 -1.600 1.00 0.00 H new ATOM 0 HA THR A 31 -3.057 -4.624 -2.312 1.00 0.00 H new ATOM 0 HB THR A 31 -4.599 -5.989 -0.657 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.558 -7.934 -1.110 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.911 -7.722 -2.397 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.711 -6.110 -3.124 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.356 -7.264 -3.132 1.00 0.00 H new ATOM 419 N LYS A 32 -1.952 -4.602 0.776 1.00 0.00 N ATOM 420 CA LYS A 32 -1.918 -3.761 2.003 1.00 0.00 C ATOM 421 C LYS A 32 -1.510 -2.336 1.624 1.00 0.00 C ATOM 422 O LYS A 32 -2.135 -1.375 2.030 1.00 0.00 O ATOM 423 CB LYS A 32 -0.915 -4.348 3.002 1.00 0.00 C ATOM 424 CG LYS A 32 -0.814 -3.448 4.263 1.00 0.00 C ATOM 425 CD LYS A 32 0.484 -2.627 4.234 1.00 0.00 C ATOM 426 CE LYS A 32 0.446 -1.547 5.323 1.00 0.00 C ATOM 427 NZ LYS A 32 1.838 -1.244 5.756 1.00 0.00 N ATOM 0 H LYS A 32 -1.322 -5.404 0.779 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.905 -3.742 2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.224 -5.353 3.289 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.065 -4.438 2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.673 -2.779 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.841 -4.065 5.161 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.342 -3.282 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.609 -2.164 3.255 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.034 -0.646 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -0.146 -1.889 6.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.820 -0.512 6.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.280 -2.107 6.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.388 -0.901 4.942 1.00 0.00 H new ATOM 441 N MET A 33 -0.471 -2.187 0.846 1.00 0.00 N ATOM 442 CA MET A 33 -0.046 -0.814 0.447 1.00 0.00 C ATOM 443 C MET A 33 -1.191 -0.122 -0.300 1.00 0.00 C ATOM 444 O MET A 33 -1.391 1.068 -0.173 1.00 0.00 O ATOM 445 CB MET A 33 1.183 -0.891 -0.464 1.00 0.00 C ATOM 446 CG MET A 33 2.329 -1.594 0.274 1.00 0.00 C ATOM 447 SD MET A 33 3.905 -1.147 -0.497 1.00 0.00 S ATOM 448 CE MET A 33 4.991 -1.896 0.744 1.00 0.00 C ATOM 0 H MET A 33 0.097 -2.948 0.473 1.00 0.00 H new ATOM 0 HA MET A 33 0.206 -0.244 1.341 1.00 0.00 H new ATOM 0 HB2 MET A 33 0.938 -1.434 -1.377 1.00 0.00 H new ATOM 0 HB3 MET A 33 1.490 0.111 -0.762 1.00 0.00 H new ATOM 0 HG2 MET A 33 2.331 -1.305 1.325 1.00 0.00 H new ATOM 0 HG3 MET A 33 2.189 -2.674 0.241 1.00 0.00 H new ATOM 0 HE1 MET A 33 6.031 -1.736 0.461 1.00 0.00 H new ATOM 0 HE2 MET A 33 4.804 -1.438 1.715 1.00 0.00 H new ATOM 0 HE3 MET A 33 4.792 -2.966 0.804 1.00 0.00 H new ATOM 458 N ARG A 34 -1.951 -0.848 -1.074 1.00 0.00 N ATOM 459 CA ARG A 34 -3.079 -0.198 -1.804 1.00 0.00 C ATOM 460 C ARG A 34 -4.019 0.447 -0.782 1.00 0.00 C ATOM 461 O ARG A 34 -4.350 1.611 -0.872 1.00 0.00 O ATOM 462 CB ARG A 34 -3.844 -1.244 -2.633 1.00 0.00 C ATOM 463 CG ARG A 34 -5.178 -0.653 -3.111 1.00 0.00 C ATOM 464 CD ARG A 34 -5.798 -1.547 -4.193 1.00 0.00 C ATOM 465 NE ARG A 34 -6.883 -0.801 -4.892 1.00 0.00 N ATOM 466 CZ ARG A 34 -7.781 -1.453 -5.584 1.00 0.00 C ATOM 467 NH1 ARG A 34 -7.756 -2.758 -5.616 1.00 0.00 N ATOM 468 NH2 ARG A 34 -8.709 -0.802 -6.234 1.00 0.00 N ATOM 0 H ARG A 34 -1.843 -1.850 -1.232 1.00 0.00 H new ATOM 0 HA ARG A 34 -2.690 0.563 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -3.244 -1.552 -3.489 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -4.025 -2.136 -2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -5.865 -0.559 -2.270 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -5.019 0.350 -3.506 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -5.034 -1.854 -4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -6.198 -2.456 -3.744 1.00 0.00 H new ATOM 0 HE ARG A 34 -6.925 0.216 -4.831 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.037 -3.267 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.455 -3.268 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -8.734 0.217 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -9.408 -1.313 -6.773 1.00 0.00 H new ATOM 482 N ALA A 35 -4.455 -0.310 0.185 1.00 0.00 N ATOM 483 CA ALA A 35 -5.379 0.253 1.208 1.00 0.00 C ATOM 484 C ALA A 35 -4.703 1.436 1.897 1.00 0.00 C ATOM 485 O ALA A 35 -5.351 2.387 2.290 1.00 0.00 O ATOM 486 CB ALA A 35 -5.710 -0.825 2.240 1.00 0.00 C ATOM 0 H ALA A 35 -4.212 -1.293 0.311 1.00 0.00 H new ATOM 0 HA ALA A 35 -6.300 0.588 0.730 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.386 -0.415 2.990 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -6.188 -1.670 1.743 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.792 -1.160 2.723 1.00 0.00 H new ATOM 492 N ALA A 36 -3.405 1.403 2.034 1.00 0.00 N ATOM 493 CA ALA A 36 -2.711 2.552 2.678 1.00 0.00 C ATOM 494 C ALA A 36 -2.966 3.803 1.838 1.00 0.00 C ATOM 495 O ALA A 36 -3.303 4.850 2.352 1.00 0.00 O ATOM 496 CB ALA A 36 -1.208 2.288 2.756 1.00 0.00 C ATOM 0 H ALA A 36 -2.802 0.638 1.731 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.092 2.689 3.690 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.714 3.136 3.229 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -1.027 1.388 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -0.810 2.151 1.751 1.00 0.00 H new ATOM 502 N ALA A 37 -2.811 3.698 0.544 1.00 0.00 N ATOM 503 CA ALA A 37 -3.049 4.874 -0.331 1.00 0.00 C ATOM 504 C ALA A 37 -4.505 5.330 -0.183 1.00 0.00 C ATOM 505 O ALA A 37 -4.783 6.501 -0.033 1.00 0.00 O ATOM 506 CB ALA A 37 -2.783 4.482 -1.787 1.00 0.00 C ATOM 0 H ALA A 37 -2.530 2.846 0.059 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.382 5.687 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -2.957 5.343 -2.433 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.749 4.152 -1.892 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.453 3.672 -2.074 1.00 0.00 H new ATOM 512 N LEU A 38 -5.435 4.411 -0.228 1.00 0.00 N ATOM 513 CA LEU A 38 -6.875 4.793 -0.095 1.00 0.00 C ATOM 514 C LEU A 38 -7.158 5.313 1.319 1.00 0.00 C ATOM 515 O LEU A 38 -7.922 6.234 1.512 1.00 0.00 O ATOM 516 CB LEU A 38 -7.751 3.569 -0.368 1.00 0.00 C ATOM 517 CG LEU A 38 -7.375 2.945 -1.719 1.00 0.00 C ATOM 518 CD1 LEU A 38 -8.177 1.657 -1.923 1.00 0.00 C ATOM 519 CD2 LEU A 38 -7.688 3.931 -2.855 1.00 0.00 C ATOM 0 H LEU A 38 -5.261 3.414 -0.351 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.101 5.580 -0.815 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.624 2.836 0.428 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.802 3.857 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.309 2.718 -1.727 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.912 1.211 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.948 0.955 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.243 1.886 -1.911 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -7.419 3.482 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.753 4.165 -2.851 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.115 4.847 -2.710 1.00 0.00 H new ATOM 531 N ASP A 39 -6.558 4.724 2.312 1.00 0.00 N ATOM 532 CA ASP A 39 -6.805 5.186 3.710 1.00 0.00 C ATOM 533 C ASP A 39 -6.400 6.651 3.842 1.00 0.00 C ATOM 534 O ASP A 39 -7.190 7.498 4.210 1.00 0.00 O ATOM 535 CB ASP A 39 -5.975 4.332 4.672 1.00 0.00 C ATOM 536 CG ASP A 39 -6.500 4.495 6.100 1.00 0.00 C ATOM 537 OD1 ASP A 39 -7.554 3.952 6.390 1.00 0.00 O ATOM 538 OD2 ASP A 39 -5.838 5.158 6.881 1.00 0.00 O ATOM 0 H ASP A 39 -5.908 3.944 2.220 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.863 5.085 3.951 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.023 3.284 4.375 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.927 4.629 4.624 1.00 0.00 H new ATOM 543 N ALA A 40 -5.176 6.963 3.549 1.00 0.00 N ATOM 544 CA ALA A 40 -4.735 8.377 3.663 1.00 0.00 C ATOM 545 C ALA A 40 -5.530 9.244 2.676 1.00 0.00 C ATOM 546 O ALA A 40 -5.553 10.452 2.776 1.00 0.00 O ATOM 547 CB ALA A 40 -3.246 8.466 3.321 1.00 0.00 C ATOM 0 H ALA A 40 -4.462 6.305 3.236 1.00 0.00 H new ATOM 0 HA ALA A 40 -4.906 8.732 4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.915 9.501 3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.676 7.847 4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.085 8.113 2.302 1.00 0.00 H new ATOM 553 N GLN A 41 -6.161 8.631 1.711 1.00 0.00 N ATOM 554 CA GLN A 41 -6.931 9.409 0.695 1.00 0.00 C ATOM 555 C GLN A 41 -8.223 9.972 1.279 1.00 0.00 C ATOM 556 O GLN A 41 -9.280 9.391 1.140 1.00 0.00 O ATOM 557 CB GLN A 41 -7.269 8.512 -0.498 1.00 0.00 C ATOM 558 CG GLN A 41 -7.843 9.364 -1.634 1.00 0.00 C ATOM 559 CD GLN A 41 -8.314 8.473 -2.796 1.00 0.00 C ATOM 560 OE1 GLN A 41 -7.735 7.320 -3.026 1.00 0.00 O flip ATOM 561 NE2 GLN A 41 -9.230 8.835 -3.506 1.00 0.00 N flip ATOM 0 H GLN A 41 -6.177 7.619 1.581 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.307 10.243 0.374 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.375 7.989 -0.838 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.990 7.750 -0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.678 9.959 -1.263 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.086 10.064 -1.989 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.686 9.731 -3.333 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -9.544 8.243 -4.275 1.00 0.00 H new ATOM 570 N LYS A 42 -8.147 11.114 1.887 1.00 0.00 N ATOM 571 CA LYS A 42 -9.371 11.765 2.449 1.00 0.00 C ATOM 572 C LYS A 42 -10.258 10.719 3.133 1.00 0.00 C ATOM 573 O LYS A 42 -11.459 10.695 2.955 1.00 0.00 O ATOM 574 CB LYS A 42 -10.171 12.438 1.314 1.00 0.00 C ATOM 575 CG LYS A 42 -9.239 13.246 0.379 1.00 0.00 C ATOM 576 CD LYS A 42 -8.908 14.620 0.999 1.00 0.00 C ATOM 577 CE LYS A 42 -9.999 15.643 0.656 1.00 0.00 C ATOM 578 NZ LYS A 42 -9.803 16.868 1.483 1.00 0.00 N ATOM 0 H LYS A 42 -7.282 11.637 2.024 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.065 12.514 3.179 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.700 11.679 0.738 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.926 13.099 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.319 12.689 0.203 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -9.718 13.384 -0.590 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.818 14.525 2.081 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -7.944 14.970 0.629 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -9.957 15.895 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -10.985 15.217 0.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -10.541 17.564 1.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -9.863 16.620 2.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.868 17.276 1.282 1.00 0.00 H new ATOM 592 N ALA A 43 -9.663 9.861 3.920 1.00 0.00 N ATOM 593 CA ALA A 43 -10.450 8.805 4.643 1.00 0.00 C ATOM 594 C ALA A 43 -9.976 8.753 6.102 1.00 0.00 C ATOM 595 O ALA A 43 -10.763 8.669 7.024 1.00 0.00 O ATOM 596 CB ALA A 43 -10.245 7.437 3.959 1.00 0.00 C ATOM 0 H ALA A 43 -8.659 9.843 4.097 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.513 9.044 4.614 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.818 6.676 4.488 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.584 7.493 2.925 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.187 7.174 3.980 1.00 0.00 H new ATOM 602 N THR A 44 -8.688 8.825 6.310 1.00 0.00 N ATOM 603 CA THR A 44 -8.120 8.810 7.681 1.00 0.00 C ATOM 604 C THR A 44 -6.997 9.853 7.706 1.00 0.00 C ATOM 605 O THR A 44 -5.882 9.568 8.093 1.00 0.00 O ATOM 606 CB THR A 44 -7.548 7.421 7.968 1.00 0.00 C ATOM 607 OG1 THR A 44 -8.484 6.435 7.551 1.00 0.00 O ATOM 608 CG2 THR A 44 -7.277 7.271 9.466 1.00 0.00 C ATOM 0 H THR A 44 -7.993 8.895 5.566 1.00 0.00 H new ATOM 0 HA THR A 44 -8.876 9.037 8.433 1.00 0.00 H new ATOM 0 HB THR A 44 -6.613 7.293 7.423 1.00 0.00 H new ATOM 0 HG1 THR A 44 -8.206 5.557 7.886 1.00 0.00 H new ATOM 0 HG21 THR A 44 -6.870 6.280 9.665 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.560 8.028 9.784 1.00 0.00 H new ATOM 0 HG23 THR A 44 -8.208 7.398 10.019 1.00 0.00 H new ATOM 616 N PRO A 45 -7.313 11.060 7.293 1.00 0.00 N ATOM 617 CA PRO A 45 -6.365 12.200 7.244 1.00 0.00 C ATOM 618 C PRO A 45 -5.252 12.124 8.306 1.00 0.00 C ATOM 619 O PRO A 45 -5.411 12.614 9.408 1.00 0.00 O ATOM 620 CB PRO A 45 -7.280 13.397 7.514 1.00 0.00 C ATOM 621 CG PRO A 45 -8.601 13.025 6.898 1.00 0.00 C ATOM 622 CD PRO A 45 -8.645 11.483 6.817 1.00 0.00 C ATOM 0 HA PRO A 45 -5.824 12.238 6.298 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.382 13.583 8.583 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.880 14.308 7.069 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -9.427 13.403 7.500 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.702 13.466 5.906 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -9.440 11.073 7.440 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.831 11.142 5.798 1.00 0.00 H new ATOM 630 N PRO A 46 -4.125 11.539 7.976 1.00 0.00 N ATOM 631 CA PRO A 46 -2.980 11.437 8.912 1.00 0.00 C ATOM 632 C PRO A 46 -2.107 12.700 8.845 1.00 0.00 C ATOM 633 O PRO A 46 -2.080 13.497 9.761 1.00 0.00 O ATOM 634 CB PRO A 46 -2.214 10.187 8.428 1.00 0.00 C ATOM 635 CG PRO A 46 -2.689 9.908 7.016 1.00 0.00 C ATOM 636 CD PRO A 46 -3.810 10.912 6.685 1.00 0.00 C ATOM 0 HA PRO A 46 -3.288 11.352 9.954 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.138 10.360 8.448 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.412 9.335 9.079 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.865 10.010 6.310 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.056 8.885 6.932 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.480 11.650 5.954 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.681 10.411 6.262 1.00 0.00 H new ATOM 644 N LYS A 47 -1.409 12.896 7.755 1.00 0.00 N ATOM 645 CA LYS A 47 -0.563 14.120 7.620 1.00 0.00 C ATOM 646 C LYS A 47 -1.429 15.242 7.042 1.00 0.00 C ATOM 647 O LYS A 47 -1.080 16.407 7.090 1.00 0.00 O ATOM 648 CB LYS A 47 0.616 13.859 6.673 1.00 0.00 C ATOM 649 CG LYS A 47 1.320 12.550 7.047 1.00 0.00 C ATOM 650 CD LYS A 47 2.334 12.191 5.958 1.00 0.00 C ATOM 651 CE LYS A 47 3.198 11.021 6.426 1.00 0.00 C ATOM 652 NZ LYS A 47 2.320 9.907 6.882 1.00 0.00 N ATOM 0 H LYS A 47 -1.388 12.263 6.955 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.170 14.397 8.598 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.260 13.807 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 47 1.323 14.687 6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 47 1.824 12.656 8.008 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.589 11.749 7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.815 11.927 5.037 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.962 13.053 5.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.841 10.682 5.614 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.851 11.339 7.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.784 8.997 6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.149 9.996 7.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.414 9.949 6.374 1.00 0.00 H new ATOM 666 N LEU A 48 -2.568 14.889 6.509 1.00 0.00 N ATOM 667 CA LEU A 48 -3.483 15.913 5.934 1.00 0.00 C ATOM 668 C LEU A 48 -4.278 16.551 7.074 1.00 0.00 C ATOM 669 O LEU A 48 -5.258 16.009 7.543 1.00 0.00 O ATOM 670 CB LEU A 48 -4.448 15.256 4.928 1.00 0.00 C ATOM 671 CG LEU A 48 -3.676 14.383 3.922 1.00 0.00 C ATOM 672 CD1 LEU A 48 -4.659 13.773 2.912 1.00 0.00 C ATOM 673 CD2 LEU A 48 -2.639 15.236 3.179 1.00 0.00 C ATOM 0 H LEU A 48 -2.905 13.928 6.448 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.903 16.674 5.411 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.177 14.646 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.006 16.026 4.395 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.164 13.585 4.459 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.112 13.155 2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.389 13.159 3.440 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -5.175 14.571 2.378 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.096 14.612 2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.145 16.039 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.938 15.663 3.896 1.00 0.00 H new ATOM 685 N GLU A 49 -3.846 17.692 7.537 1.00 0.00 N ATOM 686 CA GLU A 49 -4.557 18.373 8.663 1.00 0.00 C ATOM 687 C GLU A 49 -4.465 19.900 8.480 1.00 0.00 C ATOM 688 O GLU A 49 -4.903 20.665 9.314 1.00 0.00 O ATOM 689 CB GLU A 49 -3.882 17.952 9.982 1.00 0.00 C ATOM 690 CG GLU A 49 -4.918 17.835 11.112 1.00 0.00 C ATOM 691 CD GLU A 49 -5.567 19.196 11.376 1.00 0.00 C ATOM 692 OE1 GLU A 49 -6.504 19.532 10.672 1.00 0.00 O ATOM 693 OE2 GLU A 49 -5.117 19.876 12.283 1.00 0.00 O ATOM 0 H GLU A 49 -3.027 18.187 7.184 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.609 18.089 8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.375 16.997 9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.120 18.682 10.255 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -5.682 17.106 10.841 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -4.437 17.471 12.020 1.00 0.00 H new ATOM 700 N ASP A 50 -3.893 20.340 7.393 1.00 0.00 N ATOM 701 CA ASP A 50 -3.757 21.806 7.146 1.00 0.00 C ATOM 702 C ASP A 50 -3.233 22.035 5.724 1.00 0.00 C ATOM 703 O ASP A 50 -2.861 23.134 5.360 1.00 0.00 O ATOM 704 CB ASP A 50 -2.769 22.404 8.155 1.00 0.00 C ATOM 705 CG ASP A 50 -2.876 23.932 8.140 1.00 0.00 C ATOM 706 OD1 ASP A 50 -3.755 24.450 8.809 1.00 0.00 O ATOM 707 OD2 ASP A 50 -2.074 24.554 7.464 1.00 0.00 O ATOM 0 H ASP A 50 -3.511 19.743 6.659 1.00 0.00 H new ATOM 0 HA ASP A 50 -4.729 22.287 7.259 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.981 22.025 9.155 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.752 22.099 7.908 1.00 0.00 H new ATOM 712 N LYS A 51 -3.203 21.005 4.918 1.00 0.00 N ATOM 713 CA LYS A 51 -2.714 21.140 3.519 1.00 0.00 C ATOM 714 C LYS A 51 -3.903 21.296 2.574 1.00 0.00 C ATOM 715 O LYS A 51 -4.088 22.328 1.966 1.00 0.00 O ATOM 716 CB LYS A 51 -1.922 19.890 3.138 1.00 0.00 C ATOM 717 CG LYS A 51 -0.693 19.766 4.038 1.00 0.00 C ATOM 718 CD LYS A 51 0.094 18.517 3.646 1.00 0.00 C ATOM 719 CE LYS A 51 1.295 18.352 4.580 1.00 0.00 C ATOM 720 NZ LYS A 51 0.824 17.906 5.923 1.00 0.00 N ATOM 0 H LYS A 51 -3.501 20.064 5.176 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.073 22.018 3.441 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -2.550 19.005 3.239 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.616 19.946 2.093 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.065 20.652 3.940 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.997 19.705 5.083 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -0.548 17.638 3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.432 18.598 2.613 1.00 0.00 H new ATOM 0 HE2 LYS A 51 1.993 17.623 4.167 1.00 0.00 H new ATOM 0 HE3 LYS A 51 1.834 19.296 4.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 1.606 17.444 6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.497 18.730 6.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.039 17.233 5.810 1.00 0.00 H new ATOM 734 N SER A 52 -4.714 20.279 2.434 1.00 0.00 N ATOM 735 CA SER A 52 -5.872 20.399 1.510 1.00 0.00 C ATOM 736 C SER A 52 -5.324 20.812 0.142 1.00 0.00 C ATOM 737 O SER A 52 -4.125 20.888 -0.040 1.00 0.00 O ATOM 738 CB SER A 52 -6.826 21.462 2.076 1.00 0.00 C ATOM 739 OG SER A 52 -8.172 21.022 1.940 1.00 0.00 O ATOM 0 H SER A 52 -4.624 19.384 2.914 1.00 0.00 H new ATOM 0 HA SER A 52 -6.421 19.463 1.408 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.598 21.646 3.126 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.687 22.406 1.549 1.00 0.00 H new ATOM 0 HG SER A 52 -8.777 21.702 2.304 1.00 0.00 H new ATOM 745 N PRO A 53 -6.173 21.083 -0.809 1.00 0.00 N ATOM 746 CA PRO A 53 -5.735 21.513 -2.172 1.00 0.00 C ATOM 747 C PRO A 53 -4.926 22.822 -2.123 1.00 0.00 C ATOM 748 O PRO A 53 -5.011 23.653 -3.004 1.00 0.00 O ATOM 749 CB PRO A 53 -7.056 21.694 -2.941 1.00 0.00 C ATOM 750 CG PRO A 53 -8.053 20.887 -2.174 1.00 0.00 C ATOM 751 CD PRO A 53 -7.637 21.000 -0.714 1.00 0.00 C ATOM 0 HA PRO A 53 -5.070 20.790 -2.644 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -7.347 22.743 -2.987 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -6.968 21.342 -3.969 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -9.063 21.267 -2.324 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -8.052 19.848 -2.502 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -8.064 21.882 -0.237 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -7.958 20.136 -0.132 1.00 0.00 H new ATOM 759 N ASP A 54 -4.139 22.997 -1.094 1.00 0.00 N ATOM 760 CA ASP A 54 -3.314 24.227 -0.961 1.00 0.00 C ATOM 761 C ASP A 54 -2.003 24.018 -1.715 1.00 0.00 C ATOM 762 O ASP A 54 -1.835 24.470 -2.830 1.00 0.00 O ATOM 763 CB ASP A 54 -3.018 24.479 0.525 1.00 0.00 C ATOM 764 CG ASP A 54 -2.211 25.770 0.682 1.00 0.00 C ATOM 765 OD1 ASP A 54 -2.821 26.826 0.726 1.00 0.00 O ATOM 766 OD2 ASP A 54 -0.998 25.678 0.761 1.00 0.00 O ATOM 0 H ASP A 54 -4.034 22.328 -0.331 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.846 25.084 -1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.951 24.553 1.084 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.462 23.639 0.942 1.00 0.00 H new ATOM 771 N SER A 55 -1.073 23.324 -1.119 1.00 0.00 N ATOM 772 CA SER A 55 0.225 23.070 -1.802 1.00 0.00 C ATOM 773 C SER A 55 -0.007 22.057 -2.944 1.00 0.00 C ATOM 774 O SER A 55 -1.130 21.674 -3.198 1.00 0.00 O ATOM 775 CB SER A 55 1.226 22.524 -0.771 1.00 0.00 C ATOM 776 OG SER A 55 2.493 23.137 -0.970 1.00 0.00 O ATOM 0 H SER A 55 -1.157 22.921 -0.186 1.00 0.00 H new ATOM 0 HA SER A 55 0.630 23.988 -2.228 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.869 22.723 0.239 1.00 0.00 H new ATOM 0 HB3 SER A 55 1.314 21.442 -0.871 1.00 0.00 H new ATOM 0 HG SER A 55 3.131 22.790 -0.312 1.00 0.00 H new ATOM 782 N PRO A 56 1.030 21.606 -3.625 1.00 0.00 N ATOM 783 CA PRO A 56 0.877 20.609 -4.737 1.00 0.00 C ATOM 784 C PRO A 56 0.164 19.327 -4.279 1.00 0.00 C ATOM 785 O PRO A 56 0.058 18.374 -5.022 1.00 0.00 O ATOM 786 CB PRO A 56 2.324 20.291 -5.146 1.00 0.00 C ATOM 787 CG PRO A 56 3.110 21.487 -4.728 1.00 0.00 C ATOM 788 CD PRO A 56 2.451 21.982 -3.441 1.00 0.00 C ATOM 0 HA PRO A 56 0.268 21.005 -5.549 1.00 0.00 H new ATOM 0 HB2 PRO A 56 2.685 19.388 -4.653 1.00 0.00 H new ATOM 0 HB3 PRO A 56 2.403 20.121 -6.220 1.00 0.00 H new ATOM 0 HG2 PRO A 56 4.156 21.230 -4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 56 3.092 22.257 -5.499 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.882 21.508 -2.559 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.570 23.058 -3.315 1.00 0.00 H new ATOM 796 N GLU A 57 -0.302 19.294 -3.056 1.00 0.00 N ATOM 797 CA GLU A 57 -0.988 18.071 -2.525 1.00 0.00 C ATOM 798 C GLU A 57 -1.869 17.431 -3.609 1.00 0.00 C ATOM 799 O GLU A 57 -1.797 16.244 -3.852 1.00 0.00 O ATOM 800 CB GLU A 57 -1.850 18.452 -1.308 1.00 0.00 C ATOM 801 CG GLU A 57 -2.870 17.340 -1.009 1.00 0.00 C ATOM 802 CD GLU A 57 -3.435 17.517 0.400 1.00 0.00 C ATOM 803 OE1 GLU A 57 -3.086 18.495 1.037 1.00 0.00 O ATOM 804 OE2 GLU A 57 -4.211 16.671 0.818 1.00 0.00 O ATOM 0 H GLU A 57 -0.237 20.068 -2.395 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.231 17.347 -2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -1.213 18.614 -0.439 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.370 19.390 -1.501 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -3.678 17.369 -1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -2.394 16.364 -1.099 1.00 0.00 H new ATOM 811 N MET A 58 -2.704 18.203 -4.244 1.00 0.00 N ATOM 812 CA MET A 58 -3.599 17.636 -5.294 1.00 0.00 C ATOM 813 C MET A 58 -2.766 16.930 -6.367 1.00 0.00 C ATOM 814 O MET A 58 -3.089 15.844 -6.803 1.00 0.00 O ATOM 815 CB MET A 58 -4.396 18.777 -5.938 1.00 0.00 C ATOM 816 CG MET A 58 -5.600 18.205 -6.688 1.00 0.00 C ATOM 817 SD MET A 58 -6.574 19.558 -7.399 1.00 0.00 S ATOM 818 CE MET A 58 -5.315 20.183 -8.540 1.00 0.00 C ATOM 0 H MET A 58 -2.807 19.205 -4.082 1.00 0.00 H new ATOM 0 HA MET A 58 -4.279 16.915 -4.840 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.731 19.477 -5.172 1.00 0.00 H new ATOM 0 HB3 MET A 58 -3.760 19.336 -6.624 1.00 0.00 H new ATOM 0 HG2 MET A 58 -5.263 17.532 -7.477 1.00 0.00 H new ATOM 0 HG3 MET A 58 -6.218 17.617 -6.009 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.800 20.684 -9.378 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.670 20.890 -8.018 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.716 19.352 -8.912 1.00 0.00 H new ATOM 828 N LYS A 59 -1.712 17.549 -6.813 1.00 0.00 N ATOM 829 CA LYS A 59 -0.880 16.926 -7.876 1.00 0.00 C ATOM 830 C LYS A 59 -0.217 15.644 -7.364 1.00 0.00 C ATOM 831 O LYS A 59 -0.392 14.588 -7.935 1.00 0.00 O ATOM 832 CB LYS A 59 0.190 17.931 -8.334 1.00 0.00 C ATOM 833 CG LYS A 59 -0.483 19.229 -8.818 1.00 0.00 C ATOM 834 CD LYS A 59 -1.005 19.062 -10.269 1.00 0.00 C ATOM 835 CE LYS A 59 -0.032 19.691 -11.278 1.00 0.00 C ATOM 836 NZ LYS A 59 -0.648 19.664 -12.635 1.00 0.00 N ATOM 0 H LYS A 59 -1.390 18.460 -6.487 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.518 16.662 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.872 18.149 -7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.787 17.499 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.309 19.486 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.229 20.053 -8.774 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.134 18.003 -10.494 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.985 19.529 -10.363 1.00 0.00 H new ATOM 0 HE2 LYS A 59 0.197 20.717 -10.990 1.00 0.00 H new ATOM 0 HE3 LYS A 59 0.910 19.143 -11.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.007 20.089 -13.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.845 18.680 -12.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.536 20.204 -12.624 1.00 0.00 H new ATOM 850 N ASP A 60 0.542 15.709 -6.306 1.00 0.00 N ATOM 851 CA ASP A 60 1.189 14.466 -5.803 1.00 0.00 C ATOM 852 C ASP A 60 0.112 13.467 -5.380 1.00 0.00 C ATOM 853 O ASP A 60 0.332 12.278 -5.370 1.00 0.00 O ATOM 854 CB ASP A 60 2.089 14.782 -4.608 1.00 0.00 C ATOM 855 CG ASP A 60 1.346 15.692 -3.633 1.00 0.00 C ATOM 856 OD1 ASP A 60 0.276 15.304 -3.196 1.00 0.00 O ATOM 857 OD2 ASP A 60 1.860 16.759 -3.337 1.00 0.00 O ATOM 0 H ASP A 60 0.740 16.556 -5.774 1.00 0.00 H new ATOM 0 HA ASP A 60 1.797 14.037 -6.599 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.383 13.859 -4.108 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.004 15.266 -4.948 1.00 0.00 H new ATOM 862 N PHE A 61 -1.058 13.933 -5.042 1.00 0.00 N ATOM 863 CA PHE A 61 -2.130 12.996 -4.635 1.00 0.00 C ATOM 864 C PHE A 61 -2.562 12.234 -5.873 1.00 0.00 C ATOM 865 O PHE A 61 -2.557 11.021 -5.904 1.00 0.00 O ATOM 866 CB PHE A 61 -3.300 13.796 -4.026 1.00 0.00 C ATOM 867 CG PHE A 61 -4.608 13.034 -4.091 1.00 0.00 C ATOM 868 CD1 PHE A 61 -4.628 11.639 -3.983 1.00 0.00 C ATOM 869 CD2 PHE A 61 -5.811 13.739 -4.242 1.00 0.00 C ATOM 870 CE1 PHE A 61 -5.843 10.952 -4.032 1.00 0.00 C ATOM 871 CE2 PHE A 61 -7.028 13.050 -4.286 1.00 0.00 C ATOM 872 CZ PHE A 61 -7.043 11.657 -4.184 1.00 0.00 C ATOM 0 H PHE A 61 -1.313 14.920 -5.031 1.00 0.00 H new ATOM 0 HA PHE A 61 -1.783 12.292 -3.879 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.072 14.036 -2.987 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -3.406 14.742 -4.556 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.704 11.094 -3.862 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -5.798 14.816 -4.324 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -5.857 9.875 -3.952 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -7.954 13.594 -4.399 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.981 11.123 -4.222 1.00 0.00 H new ATOM 882 N ARG A 62 -2.929 12.937 -6.899 1.00 0.00 N ATOM 883 CA ARG A 62 -3.351 12.245 -8.128 1.00 0.00 C ATOM 884 C ARG A 62 -2.167 11.461 -8.704 1.00 0.00 C ATOM 885 O ARG A 62 -2.239 10.264 -8.900 1.00 0.00 O ATOM 886 CB ARG A 62 -3.859 13.265 -9.149 1.00 0.00 C ATOM 887 CG ARG A 62 -5.190 13.895 -8.664 1.00 0.00 C ATOM 888 CD ARG A 62 -6.057 14.300 -9.866 1.00 0.00 C ATOM 889 NE ARG A 62 -6.876 15.494 -9.512 1.00 0.00 N ATOM 890 CZ ARG A 62 -7.843 15.876 -10.305 1.00 0.00 C ATOM 891 NH1 ARG A 62 -8.135 15.165 -11.362 1.00 0.00 N ATOM 892 NH2 ARG A 62 -8.531 16.953 -10.037 1.00 0.00 N ATOM 0 H ARG A 62 -2.954 13.956 -6.936 1.00 0.00 H new ATOM 0 HA ARG A 62 -4.159 11.551 -7.897 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.112 14.045 -9.296 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -4.008 12.780 -10.114 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.731 13.184 -8.040 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -4.983 14.768 -8.046 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -5.424 14.522 -10.725 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -6.706 13.473 -10.154 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.683 16.011 -8.654 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.609 14.315 -11.566 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.889 15.460 -11.983 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -8.315 17.502 -9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.284 17.245 -10.660 1.00 0.00 H new ATOM 906 N HIS A 63 -1.082 12.129 -8.990 1.00 0.00 N ATOM 907 CA HIS A 63 0.100 11.423 -9.566 1.00 0.00 C ATOM 908 C HIS A 63 0.685 10.404 -8.566 1.00 0.00 C ATOM 909 O HIS A 63 1.088 9.324 -8.944 1.00 0.00 O ATOM 910 CB HIS A 63 1.178 12.457 -9.928 1.00 0.00 C ATOM 911 CG HIS A 63 2.140 11.868 -10.926 1.00 0.00 C ATOM 912 ND1 HIS A 63 1.940 11.195 -12.108 1.00 0.00 N flip ATOM 913 CD2 HIS A 63 3.515 11.939 -10.761 1.00 0.00 C flip ATOM 914 CE1 HIS A 63 3.168 10.854 -12.667 1.00 0.00 C flip ATOM 915 NE2 HIS A 63 4.083 11.326 -11.816 1.00 0.00 N flip ATOM 0 H HIS A 63 -0.962 13.132 -8.850 1.00 0.00 H new ATOM 0 HA HIS A 63 -0.222 10.882 -10.456 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.712 13.351 -10.343 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.715 12.765 -9.031 1.00 0.00 H new ATOM 0 HD2 HIS A 63 4.036 12.402 -9.936 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.343 10.322 -13.590 1.00 0.00 H new ATOM 0 HE2 HIS A 63 5.090 11.233 -11.950 1.00 0.00 H new ATOM 923 N GLY A 64 0.770 10.748 -7.306 1.00 0.00 N ATOM 924 CA GLY A 64 1.373 9.803 -6.305 1.00 0.00 C ATOM 925 C GLY A 64 0.494 8.564 -6.077 1.00 0.00 C ATOM 926 O GLY A 64 0.963 7.447 -6.165 1.00 0.00 O ATOM 0 H GLY A 64 0.450 11.638 -6.924 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.358 9.489 -6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 64 1.518 10.323 -5.358 1.00 0.00 H new ATOM 930 N PHE A 65 -0.762 8.734 -5.764 1.00 0.00 N ATOM 931 CA PHE A 65 -1.621 7.537 -5.513 1.00 0.00 C ATOM 932 C PHE A 65 -1.761 6.738 -6.817 1.00 0.00 C ATOM 933 O PHE A 65 -2.014 5.553 -6.798 1.00 0.00 O ATOM 934 CB PHE A 65 -3.001 7.973 -4.926 1.00 0.00 C ATOM 935 CG PHE A 65 -4.153 7.708 -5.881 1.00 0.00 C ATOM 936 CD1 PHE A 65 -4.561 6.394 -6.144 1.00 0.00 C ATOM 937 CD2 PHE A 65 -4.819 8.779 -6.490 1.00 0.00 C ATOM 938 CE1 PHE A 65 -5.629 6.152 -7.017 1.00 0.00 C ATOM 939 CE2 PHE A 65 -5.888 8.537 -7.359 1.00 0.00 C ATOM 940 CZ PHE A 65 -6.291 7.223 -7.624 1.00 0.00 C ATOM 0 H PHE A 65 -1.228 9.637 -5.672 1.00 0.00 H new ATOM 0 HA PHE A 65 -1.157 6.888 -4.770 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -3.179 7.440 -3.992 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.970 9.036 -4.686 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.051 5.567 -5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -4.507 9.793 -6.288 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.941 5.138 -7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -6.402 9.364 -7.826 1.00 0.00 H new ATOM 0 HZ PHE A 65 -7.114 7.037 -8.298 1.00 0.00 H new ATOM 950 N ASP A 66 -1.571 7.368 -7.944 1.00 0.00 N ATOM 951 CA ASP A 66 -1.668 6.626 -9.231 1.00 0.00 C ATOM 952 C ASP A 66 -0.450 5.717 -9.364 1.00 0.00 C ATOM 953 O ASP A 66 -0.558 4.548 -9.684 1.00 0.00 O ATOM 954 CB ASP A 66 -1.694 7.620 -10.393 1.00 0.00 C ATOM 955 CG ASP A 66 -1.820 6.863 -11.718 1.00 0.00 C ATOM 956 OD1 ASP A 66 -1.814 5.643 -11.686 1.00 0.00 O ATOM 957 OD2 ASP A 66 -1.919 7.519 -12.745 1.00 0.00 O ATOM 0 H ASP A 66 -1.354 8.361 -8.028 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.581 6.030 -9.250 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.530 8.309 -10.276 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -0.784 8.220 -10.391 1.00 0.00 H new ATOM 962 N ILE A 67 0.706 6.248 -9.111 1.00 0.00 N ATOM 963 CA ILE A 67 1.943 5.431 -9.211 1.00 0.00 C ATOM 964 C ILE A 67 1.861 4.269 -8.225 1.00 0.00 C ATOM 965 O ILE A 67 2.002 3.131 -8.599 1.00 0.00 O ATOM 966 CB ILE A 67 3.157 6.310 -8.904 1.00 0.00 C ATOM 967 CG1 ILE A 67 3.293 7.351 -10.014 1.00 0.00 C ATOM 968 CG2 ILE A 67 4.430 5.460 -8.856 1.00 0.00 C ATOM 969 CD1 ILE A 67 4.292 8.425 -9.580 1.00 0.00 C ATOM 0 H ILE A 67 0.851 7.220 -8.837 1.00 0.00 H new ATOM 0 HA ILE A 67 2.045 5.030 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 67 3.020 6.794 -7.937 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.630 6.875 -10.935 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.324 7.803 -10.225 1.00 0.00 H new ATOM 0 HG21 ILE A 67 5.286 6.098 -8.637 1.00 0.00 H new ATOM 0 HG22 ILE A 67 4.333 4.703 -8.078 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.579 4.973 -9.820 1.00 0.00 H new ATOM 0 HD11 ILE A 67 4.392 9.170 -10.370 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.935 8.907 -8.670 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.262 7.965 -9.391 1.00 0.00 H new ATOM 981 N LEU A 68 1.614 4.539 -6.973 1.00 0.00 N ATOM 982 CA LEU A 68 1.533 3.430 -5.981 1.00 0.00 C ATOM 983 C LEU A 68 0.527 2.396 -6.495 1.00 0.00 C ATOM 984 O LEU A 68 0.848 1.242 -6.662 1.00 0.00 O ATOM 985 CB LEU A 68 1.038 3.996 -4.632 1.00 0.00 C ATOM 986 CG LEU A 68 2.194 4.634 -3.847 1.00 0.00 C ATOM 987 CD1 LEU A 68 1.605 5.460 -2.698 1.00 0.00 C ATOM 988 CD2 LEU A 68 3.131 3.554 -3.267 1.00 0.00 C ATOM 0 H LEU A 68 1.465 5.475 -6.595 1.00 0.00 H new ATOM 0 HA LEU A 68 2.511 2.968 -5.846 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.260 4.738 -4.808 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.589 3.198 -4.041 1.00 0.00 H new ATOM 0 HG LEU A 68 2.774 5.265 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.413 5.921 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 68 0.958 6.237 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 68 1.025 4.810 -2.043 1.00 0.00 H new ATOM 0 HD21 LEU A 68 3.941 4.033 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 68 2.568 2.907 -2.595 1.00 0.00 H new ATOM 0 HD23 LEU A 68 3.547 2.959 -4.080 1.00 0.00 H new ATOM 1000 N VAL A 69 -0.672 2.796 -6.775 1.00 0.00 N ATOM 1001 CA VAL A 69 -1.665 1.816 -7.298 1.00 0.00 C ATOM 1002 C VAL A 69 -1.119 1.220 -8.610 1.00 0.00 C ATOM 1003 O VAL A 69 -1.354 0.071 -8.925 1.00 0.00 O ATOM 1004 CB VAL A 69 -3.015 2.550 -7.524 1.00 0.00 C ATOM 1005 CG1 VAL A 69 -3.803 1.921 -8.688 1.00 0.00 C ATOM 1006 CG2 VAL A 69 -3.865 2.496 -6.235 1.00 0.00 C ATOM 0 H VAL A 69 -1.012 3.752 -6.668 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.831 1.003 -6.592 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.797 3.587 -7.778 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.743 2.456 -8.822 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.215 1.987 -9.603 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.010 0.875 -8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.810 3.013 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -4.061 1.457 -5.972 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.324 2.981 -5.422 1.00 0.00 H new ATOM 1016 N GLY A 70 -0.403 1.998 -9.374 1.00 0.00 N ATOM 1017 CA GLY A 70 0.149 1.490 -10.669 1.00 0.00 C ATOM 1018 C GLY A 70 1.153 0.348 -10.443 1.00 0.00 C ATOM 1019 O GLY A 70 1.109 -0.664 -11.115 1.00 0.00 O ATOM 0 H GLY A 70 -0.174 2.968 -9.159 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.667 1.139 -11.301 1.00 0.00 H new ATOM 0 HA3 GLY A 70 0.638 2.305 -11.203 1.00 0.00 H new ATOM 1023 N GLN A 71 2.075 0.511 -9.528 1.00 0.00 N ATOM 1024 CA GLN A 71 3.103 -0.557 -9.291 1.00 0.00 C ATOM 1025 C GLN A 71 2.535 -1.654 -8.386 1.00 0.00 C ATOM 1026 O GLN A 71 3.008 -2.771 -8.393 1.00 0.00 O ATOM 1027 CB GLN A 71 4.378 0.064 -8.649 1.00 0.00 C ATOM 1028 CG GLN A 71 4.046 1.445 -8.083 1.00 0.00 C ATOM 1029 CD GLN A 71 5.125 1.910 -7.112 1.00 0.00 C ATOM 1030 OE1 GLN A 71 6.149 1.272 -6.964 1.00 0.00 O ATOM 1031 NE2 GLN A 71 4.927 3.012 -6.434 1.00 0.00 N ATOM 0 H GLN A 71 2.163 1.335 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 71 3.371 -1.003 -10.249 1.00 0.00 H new ATOM 0 HB2 GLN A 71 4.751 -0.585 -7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 71 5.170 0.146 -9.394 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.951 2.163 -8.898 1.00 0.00 H new ATOM 0 HG3 GLN A 71 3.083 1.411 -7.574 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.065 3.542 -6.563 1.00 0.00 H new ATOM 0 HE22 GLN A 71 5.634 3.340 -5.777 1.00 0.00 H new ATOM 1040 N ILE A 72 1.531 -1.363 -7.615 1.00 0.00 N ATOM 1041 CA ILE A 72 0.972 -2.424 -6.741 1.00 0.00 C ATOM 1042 C ILE A 72 0.335 -3.489 -7.630 1.00 0.00 C ATOM 1043 O ILE A 72 0.449 -4.672 -7.382 1.00 0.00 O ATOM 1044 CB ILE A 72 -0.059 -1.815 -5.788 1.00 0.00 C ATOM 1045 CG1 ILE A 72 0.677 -0.973 -4.728 1.00 0.00 C ATOM 1046 CG2 ILE A 72 -0.851 -2.933 -5.089 1.00 0.00 C ATOM 1047 CD1 ILE A 72 -0.298 -0.008 -4.032 1.00 0.00 C ATOM 0 H ILE A 72 1.078 -0.451 -7.551 1.00 0.00 H new ATOM 0 HA ILE A 72 1.757 -2.880 -6.138 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.749 -1.188 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.137 -1.629 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.482 -0.409 -5.199 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.583 -2.492 -4.412 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.366 -3.537 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -0.167 -3.564 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.240 0.578 -3.287 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.738 0.661 -4.772 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.088 -0.578 -3.544 1.00 0.00 H new ATOM 1059 N ASP A 73 -0.316 -3.074 -8.684 1.00 0.00 N ATOM 1060 CA ASP A 73 -0.936 -4.060 -9.611 1.00 0.00 C ATOM 1061 C ASP A 73 0.175 -4.772 -10.396 1.00 0.00 C ATOM 1062 O ASP A 73 0.114 -5.960 -10.637 1.00 0.00 O ATOM 1063 CB ASP A 73 -1.882 -3.335 -10.575 1.00 0.00 C ATOM 1064 CG ASP A 73 -2.843 -4.342 -11.215 1.00 0.00 C ATOM 1065 OD1 ASP A 73 -3.765 -4.764 -10.535 1.00 0.00 O ATOM 1066 OD2 ASP A 73 -2.645 -4.671 -12.373 1.00 0.00 O ATOM 0 H ASP A 73 -0.444 -2.095 -8.941 1.00 0.00 H new ATOM 0 HA ASP A 73 -1.508 -4.795 -9.045 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.445 -2.570 -10.040 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -1.307 -2.825 -11.348 1.00 0.00 H new ATOM 1071 N ASP A 74 1.196 -4.049 -10.791 1.00 0.00 N ATOM 1072 CA ASP A 74 2.314 -4.689 -11.550 1.00 0.00 C ATOM 1073 C ASP A 74 2.986 -5.748 -10.684 1.00 0.00 C ATOM 1074 O ASP A 74 3.383 -6.794 -11.154 1.00 0.00 O ATOM 1075 CB ASP A 74 3.364 -3.643 -11.917 1.00 0.00 C ATOM 1076 CG ASP A 74 2.722 -2.532 -12.747 1.00 0.00 C ATOM 1077 OD1 ASP A 74 1.561 -2.672 -13.092 1.00 0.00 O ATOM 1078 OD2 ASP A 74 3.404 -1.559 -13.024 1.00 0.00 O ATOM 0 H ASP A 74 1.302 -3.049 -10.621 1.00 0.00 H new ATOM 0 HA ASP A 74 1.903 -5.141 -12.453 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.805 -3.225 -11.012 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.173 -4.109 -12.480 1.00 0.00 H new ATOM 1083 N ALA A 75 3.149 -5.469 -9.425 1.00 0.00 N ATOM 1084 CA ALA A 75 3.820 -6.445 -8.539 1.00 0.00 C ATOM 1085 C ALA A 75 2.877 -7.608 -8.230 1.00 0.00 C ATOM 1086 O ALA A 75 3.303 -8.727 -8.020 1.00 0.00 O ATOM 1087 CB ALA A 75 4.226 -5.756 -7.238 1.00 0.00 C ATOM 0 H ALA A 75 2.846 -4.606 -8.974 1.00 0.00 H new ATOM 0 HA ALA A 75 4.707 -6.831 -9.041 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.721 -6.475 -6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 75 4.909 -4.936 -7.458 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.338 -5.365 -6.741 1.00 0.00 H new ATOM 1093 N LEU A 76 1.597 -7.349 -8.173 1.00 0.00 N ATOM 1094 CA LEU A 76 0.635 -8.439 -7.843 1.00 0.00 C ATOM 1095 C LEU A 76 0.510 -9.416 -9.012 1.00 0.00 C ATOM 1096 O LEU A 76 0.626 -10.612 -8.833 1.00 0.00 O ATOM 1097 CB LEU A 76 -0.744 -7.837 -7.520 1.00 0.00 C ATOM 1098 CG LEU A 76 -1.668 -8.902 -6.856 1.00 0.00 C ATOM 1099 CD1 LEU A 76 -2.575 -8.247 -5.808 1.00 0.00 C ATOM 1100 CD2 LEU A 76 -2.557 -9.572 -7.913 1.00 0.00 C ATOM 0 H LEU A 76 1.178 -6.434 -8.340 1.00 0.00 H new ATOM 0 HA LEU A 76 1.008 -8.980 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.626 -6.983 -6.852 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.207 -7.465 -8.434 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.030 -9.647 -6.380 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.213 -9.005 -5.354 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.962 -7.780 -5.037 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.195 -7.489 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.196 -10.313 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.176 -8.818 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.930 -10.061 -8.658 1.00 0.00 H new ATOM 1112 N LYS A 77 0.271 -8.941 -10.205 1.00 0.00 N ATOM 1113 CA LYS A 77 0.145 -9.900 -11.342 1.00 0.00 C ATOM 1114 C LYS A 77 1.423 -10.722 -11.394 1.00 0.00 C ATOM 1115 O LYS A 77 1.405 -11.910 -11.654 1.00 0.00 O ATOM 1116 CB LYS A 77 -0.031 -9.162 -12.687 1.00 0.00 C ATOM 1117 CG LYS A 77 1.103 -8.128 -12.905 1.00 0.00 C ATOM 1118 CD LYS A 77 2.232 -8.724 -13.771 1.00 0.00 C ATOM 1119 CE LYS A 77 1.937 -8.503 -15.254 1.00 0.00 C ATOM 1120 NZ LYS A 77 0.501 -8.783 -15.540 1.00 0.00 N ATOM 0 H LYS A 77 0.160 -7.955 -10.440 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.733 -10.527 -11.187 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.033 -9.883 -13.504 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.997 -8.657 -12.705 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.701 -7.237 -13.388 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.505 -7.815 -11.942 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.183 -8.260 -13.510 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.331 -9.790 -13.568 1.00 0.00 H new ATOM 0 HE2 LYS A 77 2.177 -7.477 -15.531 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.569 -9.153 -15.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.316 -8.646 -16.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.280 -9.765 -15.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -0.096 -8.134 -14.988 1.00 0.00 H new ATOM 1134 N LEU A 78 2.536 -10.096 -11.139 1.00 0.00 N ATOM 1135 CA LEU A 78 3.819 -10.835 -11.161 1.00 0.00 C ATOM 1136 C LEU A 78 3.760 -11.936 -10.104 1.00 0.00 C ATOM 1137 O LEU A 78 4.080 -13.074 -10.366 1.00 0.00 O ATOM 1138 CB LEU A 78 4.978 -9.857 -10.877 1.00 0.00 C ATOM 1139 CG LEU A 78 6.304 -10.329 -11.512 1.00 0.00 C ATOM 1140 CD1 LEU A 78 6.521 -11.835 -11.290 1.00 0.00 C ATOM 1141 CD2 LEU A 78 6.324 -9.996 -13.020 1.00 0.00 C ATOM 0 H LEU A 78 2.609 -9.103 -10.916 1.00 0.00 H new ATOM 0 HA LEU A 78 3.988 -11.287 -12.138 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.722 -8.870 -11.263 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.109 -9.753 -9.800 1.00 0.00 H new ATOM 0 HG LEU A 78 7.121 -9.798 -11.024 1.00 0.00 H new ATOM 0 HD11 LEU A 78 7.462 -12.138 -11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.554 -12.044 -10.221 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.701 -12.392 -11.744 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.265 -10.334 -13.455 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.494 -10.500 -13.515 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.228 -8.919 -13.156 1.00 0.00 H new ATOM 1153 N ALA A 79 3.325 -11.622 -8.917 1.00 0.00 N ATOM 1154 CA ALA A 79 3.231 -12.680 -7.879 1.00 0.00 C ATOM 1155 C ALA A 79 2.319 -13.783 -8.405 1.00 0.00 C ATOM 1156 O ALA A 79 2.662 -14.941 -8.393 1.00 0.00 O ATOM 1157 CB ALA A 79 2.638 -12.101 -6.594 1.00 0.00 C ATOM 0 H ALA A 79 3.034 -10.689 -8.624 1.00 0.00 H new ATOM 0 HA ALA A 79 4.223 -13.075 -7.660 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.573 -12.884 -5.838 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.276 -11.297 -6.229 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.641 -11.709 -6.797 1.00 0.00 H new ATOM 1163 N ASN A 80 1.165 -13.429 -8.878 1.00 0.00 N ATOM 1164 CA ASN A 80 0.247 -14.462 -9.427 1.00 0.00 C ATOM 1165 C ASN A 80 0.914 -15.145 -10.627 1.00 0.00 C ATOM 1166 O ASN A 80 1.241 -16.315 -10.591 1.00 0.00 O ATOM 1167 CB ASN A 80 -1.059 -13.796 -9.861 1.00 0.00 C ATOM 1168 CG ASN A 80 -1.946 -13.579 -8.637 1.00 0.00 C ATOM 1169 OD1 ASN A 80 -2.026 -14.419 -7.761 1.00 0.00 O ATOM 1170 ND2 ASN A 80 -2.612 -12.475 -8.544 1.00 0.00 N ATOM 0 H ASN A 80 0.815 -12.472 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 80 0.030 -15.211 -8.665 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -0.851 -12.843 -10.347 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.574 -14.420 -10.591 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -3.208 -12.305 -7.734 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -2.542 -11.773 -9.281 1.00 0.00 H new ATOM 1177 N GLU A 81 1.107 -14.414 -11.694 1.00 0.00 N ATOM 1178 CA GLU A 81 1.738 -14.996 -12.915 1.00 0.00 C ATOM 1179 C GLU A 81 3.219 -15.310 -12.657 1.00 0.00 C ATOM 1180 O GLU A 81 3.966 -15.596 -13.572 1.00 0.00 O ATOM 1181 CB GLU A 81 1.616 -13.984 -14.067 1.00 0.00 C ATOM 1182 CG GLU A 81 1.716 -14.704 -15.417 1.00 0.00 C ATOM 1183 CD GLU A 81 0.402 -15.439 -15.697 1.00 0.00 C ATOM 1184 OE1 GLU A 81 -0.641 -14.822 -15.551 1.00 0.00 O ATOM 1185 OE2 GLU A 81 0.463 -16.605 -16.051 1.00 0.00 O ATOM 0 H GLU A 81 0.852 -13.430 -11.772 1.00 0.00 H new ATOM 0 HA GLU A 81 1.229 -15.924 -13.176 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.665 -13.456 -13.998 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.403 -13.234 -13.987 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.921 -13.986 -16.211 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.546 -15.411 -15.405 1.00 0.00 H new ATOM 1192 N GLY A 82 3.656 -15.262 -11.423 1.00 0.00 N ATOM 1193 CA GLY A 82 5.093 -15.556 -11.124 1.00 0.00 C ATOM 1194 C GLY A 82 5.208 -16.339 -9.824 1.00 0.00 C ATOM 1195 O GLY A 82 4.280 -16.425 -9.050 1.00 0.00 O ATOM 0 H GLY A 82 3.082 -15.033 -10.611 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.533 -16.127 -11.942 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.654 -14.625 -11.047 1.00 0.00 H new ATOM 1199 N LYS A 83 6.350 -16.895 -9.562 1.00 0.00 N ATOM 1200 CA LYS A 83 6.525 -17.636 -8.292 1.00 0.00 C ATOM 1201 C LYS A 83 6.712 -16.603 -7.191 1.00 0.00 C ATOM 1202 O LYS A 83 6.393 -15.444 -7.366 1.00 0.00 O ATOM 1203 CB LYS A 83 7.766 -18.527 -8.369 1.00 0.00 C ATOM 1204 CG LYS A 83 7.482 -19.754 -9.244 1.00 0.00 C ATOM 1205 CD LYS A 83 8.554 -20.809 -8.996 1.00 0.00 C ATOM 1206 CE LYS A 83 8.180 -22.096 -9.734 1.00 0.00 C ATOM 1207 NZ LYS A 83 6.824 -22.539 -9.310 1.00 0.00 N ATOM 0 H LYS A 83 7.168 -16.869 -10.171 1.00 0.00 H new ATOM 0 HA LYS A 83 5.660 -18.269 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 83 8.603 -17.963 -8.781 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.058 -18.845 -7.368 1.00 0.00 H new ATOM 0 HG2 LYS A 83 6.497 -20.159 -9.013 1.00 0.00 H new ATOM 0 HG3 LYS A 83 7.472 -19.470 -10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 83 9.523 -20.447 -9.341 1.00 0.00 H new ATOM 0 HD3 LYS A 83 8.648 -21.004 -7.928 1.00 0.00 H new ATOM 0 HE2 LYS A 83 8.198 -21.928 -10.811 1.00 0.00 H new ATOM 0 HE3 LYS A 83 8.912 -22.875 -9.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.722 -23.560 -9.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 6.697 -22.345 -8.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.104 -22.022 -9.854 1.00 0.00 H new ATOM 1221 N VAL A 84 7.243 -16.986 -6.065 1.00 0.00 N ATOM 1222 CA VAL A 84 7.454 -15.994 -4.983 1.00 0.00 C ATOM 1223 C VAL A 84 8.811 -15.337 -5.193 1.00 0.00 C ATOM 1224 O VAL A 84 9.003 -14.168 -4.924 1.00 0.00 O ATOM 1225 CB VAL A 84 7.399 -16.695 -3.627 1.00 0.00 C ATOM 1226 CG1 VAL A 84 7.868 -15.735 -2.526 1.00 0.00 C ATOM 1227 CG2 VAL A 84 5.953 -17.124 -3.365 1.00 0.00 C ATOM 0 H VAL A 84 7.538 -17.938 -5.850 1.00 0.00 H new ATOM 0 HA VAL A 84 6.674 -15.233 -5.005 1.00 0.00 H new ATOM 0 HB VAL A 84 8.053 -17.567 -3.628 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.827 -16.240 -1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 84 8.892 -15.422 -2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 84 7.219 -14.860 -2.505 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.892 -17.627 -2.400 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.308 -16.245 -3.357 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.628 -17.806 -4.151 1.00 0.00 H new ATOM 1237 N LYS A 85 9.751 -16.087 -5.687 1.00 0.00 N ATOM 1238 CA LYS A 85 11.097 -15.530 -5.938 1.00 0.00 C ATOM 1239 C LYS A 85 10.986 -14.391 -6.957 1.00 0.00 C ATOM 1240 O LYS A 85 11.468 -13.298 -6.742 1.00 0.00 O ATOM 1241 CB LYS A 85 11.984 -16.650 -6.498 1.00 0.00 C ATOM 1242 CG LYS A 85 13.455 -16.304 -6.277 1.00 0.00 C ATOM 1243 CD LYS A 85 14.338 -17.480 -6.718 1.00 0.00 C ATOM 1244 CE LYS A 85 14.063 -17.836 -8.185 1.00 0.00 C ATOM 1245 NZ LYS A 85 15.266 -18.493 -8.771 1.00 0.00 N ATOM 0 H LYS A 85 9.640 -17.072 -5.929 1.00 0.00 H new ATOM 0 HA LYS A 85 11.531 -15.141 -5.017 1.00 0.00 H new ATOM 0 HB2 LYS A 85 11.746 -17.594 -6.009 1.00 0.00 H new ATOM 0 HB3 LYS A 85 11.788 -16.784 -7.562 1.00 0.00 H new ATOM 0 HG2 LYS A 85 13.716 -15.409 -6.842 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.631 -16.080 -5.225 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.389 -17.221 -6.591 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.144 -18.346 -6.085 1.00 0.00 H new ATOM 0 HE2 LYS A 85 13.202 -18.501 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.816 -16.936 -8.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.080 -18.734 -9.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.077 -17.844 -8.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 15.482 -19.360 -8.239 1.00 0.00 H new ATOM 1259 N GLU A 86 10.354 -14.652 -8.068 1.00 0.00 N ATOM 1260 CA GLU A 86 10.200 -13.603 -9.115 1.00 0.00 C ATOM 1261 C GLU A 86 9.356 -12.452 -8.574 1.00 0.00 C ATOM 1262 O GLU A 86 9.531 -11.310 -8.953 1.00 0.00 O ATOM 1263 CB GLU A 86 9.514 -14.211 -10.338 1.00 0.00 C ATOM 1264 CG GLU A 86 10.290 -15.451 -10.778 1.00 0.00 C ATOM 1265 CD GLU A 86 11.694 -15.037 -11.217 1.00 0.00 C ATOM 1266 OE1 GLU A 86 11.810 -14.433 -12.271 1.00 0.00 O ATOM 1267 OE2 GLU A 86 12.631 -15.325 -10.489 1.00 0.00 O ATOM 0 H GLU A 86 9.935 -15.553 -8.297 1.00 0.00 H new ATOM 0 HA GLU A 86 11.182 -13.223 -9.396 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.484 -14.476 -10.099 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.476 -13.483 -11.149 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.349 -16.167 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.771 -15.947 -11.598 1.00 0.00 H new ATOM 1274 N ALA A 87 8.433 -12.743 -7.702 1.00 0.00 N ATOM 1275 CA ALA A 87 7.570 -11.662 -7.147 1.00 0.00 C ATOM 1276 C ALA A 87 8.425 -10.659 -6.362 1.00 0.00 C ATOM 1277 O ALA A 87 8.463 -9.486 -6.676 1.00 0.00 O ATOM 1278 CB ALA A 87 6.510 -12.275 -6.223 1.00 0.00 C ATOM 0 H ALA A 87 8.238 -13.680 -7.349 1.00 0.00 H new ATOM 0 HA ALA A 87 7.077 -11.141 -7.968 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.879 -11.484 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.895 -12.975 -6.789 1.00 0.00 H new ATOM 0 HB3 ALA A 87 7.001 -12.802 -5.405 1.00 0.00 H new ATOM 1284 N GLN A 88 9.094 -11.107 -5.333 1.00 0.00 N ATOM 1285 CA GLN A 88 9.923 -10.169 -4.526 1.00 0.00 C ATOM 1286 C GLN A 88 11.003 -9.534 -5.411 1.00 0.00 C ATOM 1287 O GLN A 88 11.436 -8.431 -5.164 1.00 0.00 O ATOM 1288 CB GLN A 88 10.540 -10.916 -3.332 1.00 0.00 C ATOM 1289 CG GLN A 88 11.798 -11.697 -3.753 1.00 0.00 C ATOM 1290 CD GLN A 88 13.046 -10.810 -3.644 1.00 0.00 C ATOM 1291 OE1 GLN A 88 12.914 -9.536 -3.395 1.00 0.00 O flip ATOM 1292 NE2 GLN A 88 14.155 -11.288 -3.788 1.00 0.00 N flip ATOM 0 H GLN A 88 9.102 -12.077 -5.019 1.00 0.00 H new ATOM 0 HA GLN A 88 9.296 -9.368 -4.135 1.00 0.00 H new ATOM 0 HB2 GLN A 88 10.796 -10.204 -2.548 1.00 0.00 H new ATOM 0 HB3 GLN A 88 9.806 -11.603 -2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 88 11.915 -12.577 -3.121 1.00 0.00 H new ATOM 0 HG3 GLN A 88 11.686 -12.052 -4.777 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.260 -12.284 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.980 -10.693 -3.714 1.00 0.00 H new ATOM 1301 N ALA A 89 11.424 -10.205 -6.452 1.00 0.00 N ATOM 1302 CA ALA A 89 12.458 -9.604 -7.343 1.00 0.00 C ATOM 1303 C ALA A 89 11.917 -8.282 -7.893 1.00 0.00 C ATOM 1304 O ALA A 89 12.585 -7.266 -7.889 1.00 0.00 O ATOM 1305 CB ALA A 89 12.756 -10.556 -8.508 1.00 0.00 C ATOM 0 H ALA A 89 11.100 -11.134 -6.721 1.00 0.00 H new ATOM 0 HA ALA A 89 13.376 -9.432 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.512 -10.112 -9.156 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.124 -11.505 -8.118 1.00 0.00 H new ATOM 0 HB3 ALA A 89 11.844 -10.728 -9.080 1.00 0.00 H new ATOM 1311 N ALA A 90 10.700 -8.298 -8.360 1.00 0.00 N ATOM 1312 CA ALA A 90 10.079 -7.064 -8.910 1.00 0.00 C ATOM 1313 C ALA A 90 10.041 -5.981 -7.828 1.00 0.00 C ATOM 1314 O ALA A 90 10.240 -4.811 -8.097 1.00 0.00 O ATOM 1315 CB ALA A 90 8.655 -7.386 -9.373 1.00 0.00 C ATOM 0 H ALA A 90 10.103 -9.125 -8.384 1.00 0.00 H new ATOM 0 HA ALA A 90 10.665 -6.701 -9.754 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.192 -6.486 -9.778 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.688 -8.156 -10.144 1.00 0.00 H new ATOM 0 HB3 ALA A 90 8.070 -7.746 -8.527 1.00 0.00 H new ATOM 1321 N ALA A 91 9.780 -6.361 -6.609 1.00 0.00 N ATOM 1322 CA ALA A 91 9.717 -5.361 -5.505 1.00 0.00 C ATOM 1323 C ALA A 91 11.082 -4.696 -5.305 1.00 0.00 C ATOM 1324 O ALA A 91 11.166 -3.533 -4.966 1.00 0.00 O ATOM 1325 CB ALA A 91 9.303 -6.057 -4.210 1.00 0.00 C ATOM 0 H ALA A 91 9.607 -7.326 -6.328 1.00 0.00 H new ATOM 0 HA ALA A 91 8.986 -4.597 -5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 91 9.257 -5.326 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 91 8.323 -6.516 -4.341 1.00 0.00 H new ATOM 0 HB3 ALA A 91 10.033 -6.827 -3.961 1.00 0.00 H new ATOM 1331 N GLU A 92 12.153 -5.412 -5.514 1.00 0.00 N ATOM 1332 CA GLU A 92 13.491 -4.791 -5.331 1.00 0.00 C ATOM 1333 C GLU A 92 13.619 -3.632 -6.306 1.00 0.00 C ATOM 1334 O GLU A 92 14.105 -2.571 -5.973 1.00 0.00 O ATOM 1335 CB GLU A 92 14.592 -5.822 -5.594 1.00 0.00 C ATOM 1336 CG GLU A 92 14.360 -7.046 -4.698 1.00 0.00 C ATOM 1337 CD GLU A 92 15.669 -7.821 -4.513 1.00 0.00 C ATOM 1338 OE1 GLU A 92 16.647 -7.457 -5.146 1.00 0.00 O ATOM 1339 OE2 GLU A 92 15.669 -8.767 -3.743 1.00 0.00 O ATOM 0 H GLU A 92 12.158 -6.391 -5.801 1.00 0.00 H new ATOM 0 HA GLU A 92 13.597 -4.432 -4.307 1.00 0.00 H new ATOM 0 HB2 GLU A 92 14.587 -6.118 -6.643 1.00 0.00 H new ATOM 0 HB3 GLU A 92 15.570 -5.387 -5.390 1.00 0.00 H new ATOM 0 HG2 GLU A 92 13.976 -6.729 -3.728 1.00 0.00 H new ATOM 0 HG3 GLU A 92 13.605 -7.694 -5.143 1.00 0.00 H new ATOM 1346 N GLN A 93 13.164 -3.826 -7.509 1.00 0.00 N ATOM 1347 CA GLN A 93 13.239 -2.733 -8.509 1.00 0.00 C ATOM 1348 C GLN A 93 12.373 -1.565 -8.022 1.00 0.00 C ATOM 1349 O GLN A 93 12.703 -0.405 -8.203 1.00 0.00 O ATOM 1350 CB GLN A 93 12.722 -3.258 -9.855 1.00 0.00 C ATOM 1351 CG GLN A 93 13.125 -4.731 -10.016 1.00 0.00 C ATOM 1352 CD GLN A 93 13.008 -5.138 -11.489 1.00 0.00 C ATOM 1353 OE1 GLN A 93 12.230 -6.133 -11.823 1.00 0.00 O flip ATOM 1354 NE2 GLN A 93 13.630 -4.541 -12.346 1.00 0.00 N flip ATOM 0 H GLN A 93 12.744 -4.694 -7.842 1.00 0.00 H new ATOM 0 HA GLN A 93 14.266 -2.391 -8.633 1.00 0.00 H new ATOM 0 HB2 GLN A 93 11.638 -3.159 -9.905 1.00 0.00 H new ATOM 0 HB3 GLN A 93 13.134 -2.665 -10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 93 14.147 -4.879 -9.667 1.00 0.00 H new ATOM 0 HG3 GLN A 93 12.484 -5.363 -9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 93 14.238 -3.764 -12.087 1.00 0.00 H new ATOM 0 HE22 GLN A 93 13.544 -4.817 -13.324 1.00 0.00 H new ATOM 1363 N LEU A 94 11.268 -1.869 -7.399 1.00 0.00 N ATOM 1364 CA LEU A 94 10.372 -0.795 -6.894 1.00 0.00 C ATOM 1365 C LEU A 94 10.947 -0.189 -5.610 1.00 0.00 C ATOM 1366 O LEU A 94 10.580 0.901 -5.217 1.00 0.00 O ATOM 1367 CB LEU A 94 8.993 -1.384 -6.595 1.00 0.00 C ATOM 1368 CG LEU A 94 8.341 -1.897 -7.887 1.00 0.00 C ATOM 1369 CD1 LEU A 94 7.023 -2.592 -7.534 1.00 0.00 C ATOM 1370 CD2 LEU A 94 8.070 -0.727 -8.854 1.00 0.00 C ATOM 0 H LEU A 94 10.947 -2.820 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 94 10.289 -0.017 -7.653 1.00 0.00 H new ATOM 0 HB2 LEU A 94 9.086 -2.200 -5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 94 8.358 -0.626 -6.135 1.00 0.00 H new ATOM 0 HG LEU A 94 9.014 -2.600 -8.377 1.00 0.00 H new ATOM 0 HD11 LEU A 94 6.551 -2.961 -8.445 1.00 0.00 H new ATOM 0 HD12 LEU A 94 7.221 -3.428 -6.864 1.00 0.00 H new ATOM 0 HD13 LEU A 94 6.358 -1.882 -7.042 1.00 0.00 H new ATOM 0 HD21 LEU A 94 7.608 -1.107 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.400 -0.010 -8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 94 9.010 -0.235 -9.103 1.00 0.00 H new ATOM 1382 N LYS A 95 11.841 -0.872 -4.947 1.00 0.00 N ATOM 1383 CA LYS A 95 12.416 -0.303 -3.698 1.00 0.00 C ATOM 1384 C LYS A 95 13.307 0.879 -4.078 1.00 0.00 C ATOM 1385 O LYS A 95 13.323 1.903 -3.423 1.00 0.00 O ATOM 1386 CB LYS A 95 13.246 -1.382 -2.988 1.00 0.00 C ATOM 1387 CG LYS A 95 14.073 -0.769 -1.849 1.00 0.00 C ATOM 1388 CD LYS A 95 13.162 0.022 -0.905 1.00 0.00 C ATOM 1389 CE LYS A 95 13.885 0.267 0.420 1.00 0.00 C ATOM 1390 NZ LYS A 95 12.976 0.994 1.349 1.00 0.00 N ATOM 0 H LYS A 95 12.194 -1.791 -5.214 1.00 0.00 H new ATOM 0 HA LYS A 95 11.625 0.031 -3.027 1.00 0.00 H new ATOM 0 HB2 LYS A 95 12.586 -2.153 -2.591 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.908 -1.868 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 95 14.586 -1.556 -1.297 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.842 -0.114 -2.259 1.00 0.00 H new ATOM 0 HD2 LYS A 95 12.886 0.973 -1.361 1.00 0.00 H new ATOM 0 HD3 LYS A 95 12.237 -0.528 -0.730 1.00 0.00 H new ATOM 0 HE2 LYS A 95 14.192 -0.681 0.861 1.00 0.00 H new ATOM 0 HE3 LYS A 95 14.792 0.848 0.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 13.464 1.162 2.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 12.704 1.905 0.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 12.123 0.423 1.518 1.00 0.00 H new ATOM 1404 N THR A 96 14.039 0.748 -5.147 1.00 0.00 N ATOM 1405 CA THR A 96 14.918 1.852 -5.583 1.00 0.00 C ATOM 1406 C THR A 96 14.050 3.045 -5.979 1.00 0.00 C ATOM 1407 O THR A 96 14.333 4.176 -5.636 1.00 0.00 O ATOM 1408 CB THR A 96 15.734 1.370 -6.787 1.00 0.00 C ATOM 1409 OG1 THR A 96 16.109 0.014 -6.584 1.00 0.00 O ATOM 1410 CG2 THR A 96 16.987 2.225 -6.934 1.00 0.00 C ATOM 0 H THR A 96 14.062 -0.084 -5.737 1.00 0.00 H new ATOM 0 HA THR A 96 15.593 2.153 -4.781 1.00 0.00 H new ATOM 0 HB THR A 96 15.132 1.455 -7.692 1.00 0.00 H new ATOM 0 HG1 THR A 96 16.630 -0.300 -7.352 1.00 0.00 H new ATOM 0 HG21 THR A 96 17.565 1.879 -7.791 1.00 0.00 H new ATOM 0 HG22 THR A 96 16.701 3.266 -7.085 1.00 0.00 H new ATOM 0 HG23 THR A 96 17.592 2.142 -6.031 1.00 0.00 H new ATOM 1418 N THR A 97 12.979 2.796 -6.686 1.00 0.00 N ATOM 1419 CA THR A 97 12.076 3.898 -7.092 1.00 0.00 C ATOM 1420 C THR A 97 11.054 4.122 -5.973 1.00 0.00 C ATOM 1421 O THR A 97 11.198 5.009 -5.155 1.00 0.00 O ATOM 1422 CB THR A 97 11.362 3.489 -8.381 1.00 0.00 C ATOM 1423 OG1 THR A 97 12.289 3.479 -9.457 1.00 0.00 O ATOM 1424 CG2 THR A 97 10.234 4.468 -8.688 1.00 0.00 C ATOM 0 H THR A 97 12.694 1.868 -6.999 1.00 0.00 H new ATOM 0 HA THR A 97 12.634 4.818 -7.264 1.00 0.00 H new ATOM 0 HB THR A 97 10.942 2.491 -8.253 1.00 0.00 H new ATOM 0 HG1 THR A 97 11.830 3.215 -10.282 1.00 0.00 H new ATOM 0 HG21 THR A 97 9.732 4.168 -9.608 1.00 0.00 H new ATOM 0 HG22 THR A 97 9.518 4.467 -7.867 1.00 0.00 H new ATOM 0 HG23 THR A 97 10.645 5.470 -8.809 1.00 0.00 H new ATOM 1432 N GLY A 98 10.029 3.310 -5.932 1.00 0.00 N ATOM 1433 CA GLY A 98 8.987 3.442 -4.874 1.00 0.00 C ATOM 1434 C GLY A 98 8.634 4.915 -4.684 1.00 0.00 C ATOM 1435 O GLY A 98 7.843 5.479 -5.414 1.00 0.00 O ATOM 0 H GLY A 98 9.869 2.552 -6.596 1.00 0.00 H new ATOM 0 HA2 GLY A 98 8.097 2.877 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 98 9.351 3.021 -3.937 1.00 0.00 H new ATOM 1439 N ARG A 99 9.232 5.541 -3.713 1.00 0.00 N ATOM 1440 CA ARG A 99 8.959 6.980 -3.472 1.00 0.00 C ATOM 1441 C ARG A 99 9.821 7.796 -4.433 1.00 0.00 C ATOM 1442 O ARG A 99 11.030 7.676 -4.451 1.00 0.00 O ATOM 1443 CB ARG A 99 9.305 7.330 -2.024 1.00 0.00 C ATOM 1444 CG ARG A 99 8.389 6.538 -1.085 1.00 0.00 C ATOM 1445 CD ARG A 99 8.618 6.989 0.358 1.00 0.00 C ATOM 1446 NE ARG A 99 10.078 6.965 0.654 1.00 0.00 N ATOM 1447 CZ ARG A 99 10.661 5.856 1.027 1.00 0.00 C ATOM 1448 NH1 ARG A 99 9.964 4.761 1.182 1.00 0.00 N ATOM 1449 NH2 ARG A 99 11.946 5.842 1.252 1.00 0.00 N ATOM 0 H ARG A 99 9.902 5.115 -3.073 1.00 0.00 H new ATOM 0 HA ARG A 99 7.905 7.203 -3.640 1.00 0.00 H new ATOM 0 HB2 ARG A 99 10.349 7.093 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 99 9.182 8.400 -1.856 1.00 0.00 H new ATOM 0 HG2 ARG A 99 7.346 6.691 -1.363 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.590 5.471 -1.179 1.00 0.00 H new ATOM 0 HD2 ARG A 99 8.222 7.994 0.505 1.00 0.00 H new ATOM 0 HD3 ARG A 99 8.085 6.333 1.046 1.00 0.00 H new ATOM 0 HE ARG A 99 10.627 7.820 0.565 1.00 0.00 H new ATOM 0 HH11 ARG A 99 8.958 4.768 1.012 1.00 0.00 H new ATOM 0 HH12 ARG A 99 10.426 3.899 1.473 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.493 6.695 1.137 1.00 0.00 H new ATOM 0 HH22 ARG A 99 12.403 4.978 1.543 1.00 0.00 H new ATOM 1463 N ALA A 100 9.212 8.611 -5.246 1.00 0.00 N ATOM 1464 CA ALA A 100 9.998 9.419 -6.222 1.00 0.00 C ATOM 1465 C ALA A 100 9.210 10.675 -6.588 1.00 0.00 C ATOM 1466 O ALA A 100 9.468 11.318 -7.586 1.00 0.00 O ATOM 1467 CB ALA A 100 10.235 8.584 -7.483 1.00 0.00 C ATOM 0 H ALA A 100 8.203 8.754 -5.278 1.00 0.00 H new ATOM 0 HA ALA A 100 10.954 9.704 -5.782 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.809 9.167 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.788 7.682 -7.223 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.276 8.308 -7.922 1.00 0.00 H new ATOM 1473 N GLY A 101 8.247 11.025 -5.783 1.00 0.00 N ATOM 1474 CA GLY A 101 7.435 12.238 -6.075 1.00 0.00 C ATOM 1475 C GLY A 101 6.710 12.704 -4.806 1.00 0.00 C ATOM 1476 O GLY A 101 5.874 13.585 -4.852 1.00 0.00 O ATOM 0 H GLY A 101 7.987 10.523 -4.934 1.00 0.00 H new ATOM 0 HA2 GLY A 101 8.078 13.034 -6.449 1.00 0.00 H new ATOM 0 HA3 GLY A 101 6.709 12.020 -6.859 1.00 0.00 H new ATOM 1480 N ASN A 102 7.017 12.124 -3.672 1.00 0.00 N ATOM 1481 CA ASN A 102 6.337 12.544 -2.410 1.00 0.00 C ATOM 1482 C ASN A 102 7.039 13.774 -1.832 1.00 0.00 C ATOM 1483 O ASN A 102 6.824 14.137 -0.693 1.00 0.00 O ATOM 1484 CB ASN A 102 6.396 11.409 -1.387 1.00 0.00 C ATOM 1485 CG ASN A 102 5.526 11.776 -0.181 1.00 0.00 C ATOM 1486 OD1 ASN A 102 6.066 12.383 0.843 1.00 0.00 O flip ATOM 1487 ND2 ASN A 102 4.340 11.512 -0.169 1.00 0.00 N flip ATOM 0 H ASN A 102 7.707 11.380 -3.567 1.00 0.00 H new ATOM 0 HA ASN A 102 5.297 12.783 -2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 102 6.044 10.480 -1.835 1.00 0.00 H new ATOM 0 HB3 ASN A 102 7.425 11.241 -1.071 1.00 0.00 H new ATOM 0 HD21 ASN A 102 3.915 11.038 -0.966 1.00 0.00 H new ATOM 0 HD22 ASN A 102 3.770 11.764 0.638 1.00 0.00 H new ATOM 1494 N GLN A 103 7.876 14.419 -2.612 1.00 0.00 N ATOM 1495 CA GLN A 103 8.601 15.632 -2.129 1.00 0.00 C ATOM 1496 C GLN A 103 8.239 16.814 -3.031 1.00 0.00 C ATOM 1497 O GLN A 103 7.101 16.984 -3.412 1.00 0.00 O ATOM 1498 CB GLN A 103 10.115 15.380 -2.196 1.00 0.00 C ATOM 1499 CG GLN A 103 10.847 16.354 -1.257 1.00 0.00 C ATOM 1500 CD GLN A 103 12.285 16.566 -1.741 1.00 0.00 C ATOM 1501 OE1 GLN A 103 12.490 17.075 -2.925 1.00 0.00 O flip ATOM 1502 NE2 GLN A 103 13.228 16.270 -1.033 1.00 0.00 N flip ATOM 0 H GLN A 103 8.088 14.151 -3.573 1.00 0.00 H new ATOM 0 HA GLN A 103 8.317 15.851 -1.100 1.00 0.00 H new ATOM 0 HB2 GLN A 103 10.335 14.351 -1.911 1.00 0.00 H new ATOM 0 HB3 GLN A 103 10.470 15.510 -3.218 1.00 0.00 H new ATOM 0 HG2 GLN A 103 10.320 17.308 -1.226 1.00 0.00 H new ATOM 0 HG3 GLN A 103 10.851 15.959 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 103 13.066 15.872 -0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 103 14.181 16.419 -1.364 1.00 0.00 H new ATOM 1511 N LYS A 104 9.204 17.620 -3.385 1.00 0.00 N ATOM 1512 CA LYS A 104 8.931 18.790 -4.272 1.00 0.00 C ATOM 1513 C LYS A 104 7.979 19.770 -3.557 1.00 0.00 C ATOM 1514 O LYS A 104 8.072 20.969 -3.725 1.00 0.00 O ATOM 1515 CB LYS A 104 8.349 18.265 -5.621 1.00 0.00 C ATOM 1516 CG LYS A 104 6.967 18.866 -5.947 1.00 0.00 C ATOM 1517 CD LYS A 104 6.417 18.199 -7.220 1.00 0.00 C ATOM 1518 CE LYS A 104 4.921 18.499 -7.375 1.00 0.00 C ATOM 1519 NZ LYS A 104 4.364 17.662 -8.476 1.00 0.00 N ATOM 0 H LYS A 104 10.177 17.518 -3.096 1.00 0.00 H new ATOM 0 HA LYS A 104 9.847 19.339 -4.491 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.043 18.501 -6.428 1.00 0.00 H new ATOM 0 HB3 LYS A 104 8.267 17.179 -5.579 1.00 0.00 H new ATOM 0 HG2 LYS A 104 6.282 18.708 -5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 104 7.050 19.943 -6.092 1.00 0.00 H new ATOM 0 HD2 LYS A 104 6.960 18.562 -8.093 1.00 0.00 H new ATOM 0 HD3 LYS A 104 6.576 17.122 -7.172 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.397 18.289 -6.442 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.771 19.556 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 3.349 17.862 -8.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 4.858 17.883 -9.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 4.496 16.656 -8.248 1.00 0.00 H new ATOM 1533 N GLY A 105 7.063 19.269 -2.770 1.00 0.00 N ATOM 1534 CA GLY A 105 6.106 20.158 -2.058 1.00 0.00 C ATOM 1535 C GLY A 105 5.653 19.476 -0.763 1.00 0.00 C ATOM 1536 O GLY A 105 6.024 19.872 0.323 1.00 0.00 O ATOM 0 H GLY A 105 6.938 18.273 -2.590 1.00 0.00 H new ATOM 0 HA2 GLY A 105 6.578 21.115 -1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 105 5.245 20.368 -2.693 1.00 0.00 H new ATOM 1540 N GLY A 106 4.856 18.449 -0.873 1.00 0.00 N ATOM 1541 CA GLY A 106 4.381 17.735 0.346 1.00 0.00 C ATOM 1542 C GLY A 106 3.648 18.715 1.265 1.00 0.00 C ATOM 1543 O GLY A 106 4.248 19.141 2.240 1.00 0.00 O ATOM 1544 OXT GLY A 106 2.502 19.020 0.981 1.00 0.00 O ATOM 0 H GLY A 106 4.512 18.073 -1.757 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.716 16.918 0.065 1.00 0.00 H new ATOM 0 HA3 GLY A 106 5.226 17.291 0.872 1.00 0.00 H new TER 1548 GLY A 106