USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 769 hydrogens (14 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 NoAdj-H: A 37 ALY H2 : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD NoAdj-H: A 37 ALY H : A 37 ALY N : A 36 PHE C :(H bumps) USER MOD Set 1.1: A 17 LYS NZ :NH3+ -176:sc= 0.981 (180deg=0.974) USER MOD Set 1.2: A 21 TYR OH : rot -107:sc= 0.383 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.961! C(o=-0.96!,f=-3.2!) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.64 USER MOD Single : A 16 LYS NZ :NH3+ -130:sc= -0.577 (180deg=-2.52!) USER MOD Single : A 23 LYS NZ :NH3+ -178:sc= 1.13 (180deg=1.09) USER MOD Single : A 25 LYS NZ :NH3+ -170:sc= -0.0173 (180deg=-0.146) USER MOD Single : A 29 GLN : amide:sc= -3.13! K(o=-3.1!,f=-0.51) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 115:sc= 1.24 USER MOD Single : A 35 HIS : no HE2:sc= -1.2 K(o=-1.2,f=-1.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl -152:sc= -0.475 (180deg=-1.41) USER MOD Single : A 41 THR OG1 : rot 34:sc= 0.51 USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0178 USER MOD Single : A 43 HIS : no HD1:sc= -0.699 K(o=-0.7,f=0.18) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc= 1.24 (180deg=0.97) USER MOD Single : A 46 LYS NZ :NH3+ 179:sc= -1.33! (180deg=-1.36!) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= 0.88 (180deg=0.345) USER MOD Single : A 50 SER OG : rot 80:sc= 0.884 USER MOD Single : A 51 TYR OH : rot 108:sc= 1.23 USER MOD Single : A 52 CYS SG : rot 63:sc= 0.282 USER MOD Single : A 53 GLN : amide:sc= -0.714 K(o=-0.71,f=-4.9!) USER MOD Single : A 55 GLN : amide:sc= -1.72 K(o=-1.7,f=-0.32) USER MOD Single : A 59 MET CE :methyl -148:sc= -6.27! (180deg=-11.1!) USER MOD Single : A 60 ASN : amide:sc= -0.0128 X(o=-0.013,f=0) USER MOD Single : A 61 SER OG : rot 160:sc= -0.358 USER MOD Single : A 69 GLN : amide:sc= -1.52 K(o=-1.5,f=-0.00046) USER MOD Single : A 74 ASN : amide:sc= -0.374 K(o=-0.37,f=-4.6!) USER MOD Single : A 75 HIS : no HE2:sc= 0.401 K(o=0.4,f=-2.5!) USER MOD Single : A 76 THR OG1 : rot -160:sc= -0.205 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 MET CE :methyl 153:sc= -1.36 (180deg=-4.24) USER MOD Single : A 91 TYR OH : rot 180:sc=-0.00342 USER MOD Single : A 92 GLN : amide:sc= -0.656 K(o=-0.66,f=-1.8) USER MOD Single : A 94 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0.0363 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 19.761 -10.632 30.556 1.00 0.00 N ATOM 2 CA MET A 1 19.248 -10.889 31.917 1.00 0.00 C ATOM 3 C MET A 1 18.419 -9.725 32.451 1.00 0.00 C ATOM 4 O MET A 1 17.206 -9.839 32.609 1.00 0.00 O ATOM 5 CB MET A 1 20.385 -11.211 32.896 1.00 0.00 C ATOM 6 CG MET A 1 20.929 -12.619 32.761 1.00 0.00 C ATOM 7 SD MET A 1 19.634 -13.868 32.896 1.00 0.00 S ATOM 8 CE MET A 1 20.582 -15.370 32.685 1.00 0.00 C ATOM 0 H1 MET A 1 20.318 -11.449 30.235 1.00 0.00 H new ATOM 0 H2 MET A 1 18.963 -10.480 29.907 1.00 0.00 H new ATOM 0 H3 MET A 1 20.364 -9.785 30.567 1.00 0.00 H new ATOM 0 HA MET A 1 18.596 -11.759 31.837 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.198 -10.501 32.740 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.026 -11.066 33.915 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.431 -12.722 31.799 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.680 -12.792 33.532 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.917 -16.231 32.744 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.073 -15.357 31.712 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.335 -15.438 33.470 1.00 0.00 H new ATOM 18 N SER A 2 19.060 -8.599 32.731 1.00 0.00 N ATOM 19 CA SER A 2 18.363 -7.468 33.330 1.00 0.00 C ATOM 20 C SER A 2 18.203 -6.298 32.361 1.00 0.00 C ATOM 21 O SER A 2 17.663 -5.249 32.722 1.00 0.00 O ATOM 22 CB SER A 2 19.108 -7.015 34.585 1.00 0.00 C ATOM 23 OG SER A 2 19.309 -8.106 35.468 1.00 0.00 O ATOM 0 H SER A 2 20.053 -8.444 32.555 1.00 0.00 H new ATOM 0 HA SER A 2 17.359 -7.802 33.591 1.00 0.00 H new ATOM 0 HB2 SER A 2 20.070 -6.583 34.307 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.540 -6.232 35.089 1.00 0.00 H new ATOM 0 HG SER A 2 19.789 -7.798 36.265 1.00 0.00 H new ATOM 29 N ASP A 3 18.654 -6.463 31.136 1.00 0.00 N ATOM 30 CA ASP A 3 18.555 -5.391 30.160 1.00 0.00 C ATOM 31 C ASP A 3 17.341 -5.575 29.266 1.00 0.00 C ATOM 32 O ASP A 3 16.993 -6.695 28.887 1.00 0.00 O ATOM 33 CB ASP A 3 19.824 -5.301 29.316 1.00 0.00 C ATOM 34 CG ASP A 3 19.789 -4.134 28.354 1.00 0.00 C ATOM 35 OD1 ASP A 3 19.813 -2.972 28.821 1.00 0.00 O ATOM 36 OD2 ASP A 3 19.750 -4.363 27.136 1.00 0.00 O ATOM 0 H ASP A 3 19.089 -7.319 30.791 1.00 0.00 H new ATOM 0 HA ASP A 3 18.438 -4.457 30.709 1.00 0.00 H new ATOM 0 HB2 ASP A 3 20.689 -5.203 29.972 1.00 0.00 H new ATOM 0 HB3 ASP A 3 19.952 -6.227 28.756 1.00 0.00 H new ATOM 41 N GLN A 4 16.685 -4.482 28.939 1.00 0.00 N ATOM 42 CA GLN A 4 15.523 -4.534 28.079 1.00 0.00 C ATOM 43 C GLN A 4 15.939 -4.374 26.617 1.00 0.00 C ATOM 44 O GLN A 4 16.507 -3.354 26.211 1.00 0.00 O ATOM 45 CB GLN A 4 14.460 -3.485 28.481 1.00 0.00 C ATOM 46 CG GLN A 4 14.832 -2.037 28.181 1.00 0.00 C ATOM 47 CD GLN A 4 15.965 -1.508 29.046 1.00 0.00 C ATOM 48 OE1 GLN A 4 16.145 -1.930 30.193 1.00 0.00 O ATOM 49 NE2 GLN A 4 16.728 -0.584 28.510 1.00 0.00 N ATOM 0 H GLN A 4 16.937 -3.546 29.256 1.00 0.00 H new ATOM 0 HA GLN A 4 15.059 -5.513 28.201 1.00 0.00 H new ATOM 0 HB2 GLN A 4 13.529 -3.719 27.965 1.00 0.00 H new ATOM 0 HB3 GLN A 4 14.265 -3.580 29.549 1.00 0.00 H new ATOM 0 HG2 GLN A 4 15.117 -1.954 27.132 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.953 -1.408 28.323 1.00 0.00 H new ATOM 0 HE21 GLN A 4 16.547 -0.262 27.559 1.00 0.00 H new ATOM 0 HE22 GLN A 4 17.502 -0.189 29.044 1.00 0.00 H new ATOM 58 N GLU A 5 15.672 -5.387 25.835 1.00 0.00 N ATOM 59 CA GLU A 5 16.044 -5.395 24.434 1.00 0.00 C ATOM 60 C GLU A 5 14.837 -5.687 23.559 1.00 0.00 C ATOM 61 O GLU A 5 14.722 -5.182 22.440 1.00 0.00 O ATOM 62 CB GLU A 5 17.141 -6.435 24.187 1.00 0.00 C ATOM 63 CG GLU A 5 17.682 -6.450 22.764 1.00 0.00 C ATOM 64 CD GLU A 5 18.412 -5.176 22.399 1.00 0.00 C ATOM 65 OE1 GLU A 5 19.507 -4.938 22.949 1.00 0.00 O ATOM 66 OE2 GLU A 5 17.908 -4.415 21.546 1.00 0.00 O ATOM 0 H GLU A 5 15.191 -6.231 26.145 1.00 0.00 H new ATOM 0 HA GLU A 5 16.426 -4.408 24.173 1.00 0.00 H new ATOM 0 HB2 GLU A 5 17.965 -6.246 24.875 1.00 0.00 H new ATOM 0 HB3 GLU A 5 16.748 -7.424 24.424 1.00 0.00 H new ATOM 0 HG2 GLU A 5 18.358 -7.297 22.647 1.00 0.00 H new ATOM 0 HG3 GLU A 5 16.857 -6.602 22.068 1.00 0.00 H new ATOM 73 N ALA A 6 13.911 -6.472 24.071 1.00 0.00 N ATOM 74 CA ALA A 6 12.737 -6.840 23.312 1.00 0.00 C ATOM 75 C ALA A 6 11.626 -5.840 23.558 1.00 0.00 C ATOM 76 O ALA A 6 10.711 -6.076 24.350 1.00 0.00 O ATOM 77 CB ALA A 6 12.285 -8.251 23.664 1.00 0.00 C ATOM 0 H ALA A 6 13.950 -6.867 25.011 1.00 0.00 H new ATOM 0 HA ALA A 6 12.989 -6.826 22.252 1.00 0.00 H new ATOM 0 HB1 ALA A 6 11.400 -8.506 23.081 1.00 0.00 H new ATOM 0 HB2 ALA A 6 13.085 -8.956 23.437 1.00 0.00 H new ATOM 0 HB3 ALA A 6 12.046 -8.302 24.726 1.00 0.00 H new ATOM 83 N LYS A 7 11.727 -4.704 22.914 1.00 0.00 N ATOM 84 CA LYS A 7 10.748 -3.654 23.067 1.00 0.00 C ATOM 85 C LYS A 7 9.827 -3.604 21.858 1.00 0.00 C ATOM 86 O LYS A 7 10.254 -3.869 20.735 1.00 0.00 O ATOM 87 CB LYS A 7 11.439 -2.308 23.284 1.00 0.00 C ATOM 88 CG LYS A 7 12.432 -1.934 22.194 1.00 0.00 C ATOM 89 CD LYS A 7 13.146 -0.635 22.520 1.00 0.00 C ATOM 90 CE LYS A 7 12.167 0.517 22.658 1.00 0.00 C ATOM 91 NZ LYS A 7 12.846 1.771 23.056 1.00 0.00 N ATOM 0 H LYS A 7 12.487 -4.480 22.271 1.00 0.00 H new ATOM 0 HA LYS A 7 10.141 -3.870 23.946 1.00 0.00 H new ATOM 0 HB2 LYS A 7 10.680 -1.529 23.351 1.00 0.00 H new ATOM 0 HB3 LYS A 7 11.959 -2.329 24.242 1.00 0.00 H new ATOM 0 HG2 LYS A 7 13.163 -2.734 22.076 1.00 0.00 H new ATOM 0 HG3 LYS A 7 11.910 -1.836 21.242 1.00 0.00 H new ATOM 0 HD2 LYS A 7 13.708 -0.750 23.447 1.00 0.00 H new ATOM 0 HD3 LYS A 7 13.868 -0.408 21.736 1.00 0.00 H new ATOM 0 HE2 LYS A 7 11.649 0.669 21.711 1.00 0.00 H new ATOM 0 HE3 LYS A 7 11.409 0.263 23.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 12.144 2.534 23.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 13.320 1.634 23.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 13.552 2.027 22.336 1.00 0.00 H new ATOM 105 N PRO A 8 8.548 -3.277 22.079 1.00 0.00 N ATOM 106 CA PRO A 8 7.540 -3.231 21.015 1.00 0.00 C ATOM 107 C PRO A 8 7.922 -2.322 19.854 1.00 0.00 C ATOM 108 O PRO A 8 7.788 -2.702 18.685 1.00 0.00 O ATOM 109 CB PRO A 8 6.281 -2.696 21.719 1.00 0.00 C ATOM 110 CG PRO A 8 6.751 -2.158 23.031 1.00 0.00 C ATOM 111 CD PRO A 8 7.976 -2.938 23.389 1.00 0.00 C ATOM 0 HA PRO A 8 7.411 -4.214 20.562 1.00 0.00 H new ATOM 0 HB2 PRO A 8 5.801 -1.918 21.126 1.00 0.00 H new ATOM 0 HB3 PRO A 8 5.545 -3.488 21.861 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.975 -1.094 22.957 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.982 -2.269 23.795 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.668 -2.349 23.991 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.732 -3.830 23.966 1.00 0.00 H new ATOM 119 N SER A 9 8.405 -1.125 20.172 1.00 0.00 N ATOM 120 CA SER A 9 8.754 -0.128 19.156 1.00 0.00 C ATOM 121 C SER A 9 7.525 0.165 18.298 1.00 0.00 C ATOM 122 O SER A 9 7.586 0.224 17.065 1.00 0.00 O ATOM 123 CB SER A 9 9.927 -0.619 18.293 1.00 0.00 C ATOM 124 OG SER A 9 11.084 -0.839 19.089 1.00 0.00 O ATOM 0 H SER A 9 8.566 -0.817 21.131 1.00 0.00 H new ATOM 0 HA SER A 9 9.072 0.792 19.646 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.649 -1.543 17.785 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.147 0.116 17.519 1.00 0.00 H new ATOM 0 HG SER A 9 11.818 -1.153 18.520 1.00 0.00 H new ATOM 130 N THR A 10 6.408 0.338 18.979 1.00 0.00 N ATOM 131 CA THR A 10 5.129 0.558 18.347 1.00 0.00 C ATOM 132 C THR A 10 5.121 1.840 17.516 1.00 0.00 C ATOM 133 O THR A 10 5.717 2.857 17.893 1.00 0.00 O ATOM 134 CB THR A 10 4.017 0.619 19.397 1.00 0.00 C ATOM 135 OG1 THR A 10 4.231 -0.421 20.361 1.00 0.00 O ATOM 136 CG2 THR A 10 2.653 0.430 18.745 1.00 0.00 C ATOM 0 H THR A 10 6.367 0.329 19.998 1.00 0.00 H new ATOM 0 HA THR A 10 4.951 -0.282 17.676 1.00 0.00 H new ATOM 0 HB THR A 10 4.038 1.595 19.882 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.524 -0.389 21.039 1.00 0.00 H new ATOM 0 HG21 THR A 10 1.876 0.477 19.508 1.00 0.00 H new ATOM 0 HG22 THR A 10 2.488 1.218 18.011 1.00 0.00 H new ATOM 0 HG23 THR A 10 2.618 -0.540 18.250 1.00 0.00 H new ATOM 144 N GLU A 11 4.453 1.777 16.377 1.00 0.00 N ATOM 145 CA GLU A 11 4.332 2.892 15.476 1.00 0.00 C ATOM 146 C GLU A 11 3.581 4.030 16.132 1.00 0.00 C ATOM 147 O GLU A 11 3.969 5.196 16.044 1.00 0.00 O ATOM 148 CB GLU A 11 3.621 2.426 14.219 1.00 0.00 C ATOM 149 CG GLU A 11 3.374 3.502 13.204 1.00 0.00 C ATOM 150 CD GLU A 11 2.595 2.979 12.030 1.00 0.00 C ATOM 151 OE1 GLU A 11 1.372 2.790 12.169 1.00 0.00 O ATOM 152 OE2 GLU A 11 3.203 2.713 10.968 1.00 0.00 O ATOM 0 H GLU A 11 3.976 0.935 16.055 1.00 0.00 H new ATOM 0 HA GLU A 11 5.323 3.263 15.216 1.00 0.00 H new ATOM 0 HB2 GLU A 11 4.212 1.636 13.755 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.665 1.985 14.501 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.828 4.324 13.668 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.326 3.906 12.860 1.00 0.00 H new ATOM 159 N ASP A 12 2.525 3.692 16.796 1.00 0.00 N ATOM 160 CA ASP A 12 1.730 4.672 17.505 1.00 0.00 C ATOM 161 C ASP A 12 2.010 4.562 18.981 1.00 0.00 C ATOM 162 O ASP A 12 2.331 3.490 19.483 1.00 0.00 O ATOM 163 CB ASP A 12 0.238 4.480 17.239 1.00 0.00 C ATOM 164 CG ASP A 12 -0.594 5.665 17.709 1.00 0.00 C ATOM 165 OD1 ASP A 12 -0.522 6.728 17.074 1.00 0.00 O ATOM 166 OD2 ASP A 12 -1.327 5.535 18.716 1.00 0.00 O ATOM 0 H ASP A 12 2.180 2.735 16.870 1.00 0.00 H new ATOM 0 HA ASP A 12 2.004 5.664 17.147 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.079 4.329 16.171 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -0.105 3.576 17.743 1.00 0.00 H new ATOM 171 N LEU A 13 1.897 5.654 19.677 1.00 0.00 N ATOM 172 CA LEU A 13 2.180 5.676 21.096 1.00 0.00 C ATOM 173 C LEU A 13 0.950 5.359 21.929 1.00 0.00 C ATOM 174 O LEU A 13 1.057 4.884 23.063 1.00 0.00 O ATOM 175 CB LEU A 13 2.786 7.015 21.509 1.00 0.00 C ATOM 176 CG LEU A 13 2.673 8.160 20.494 1.00 0.00 C ATOM 177 CD1 LEU A 13 1.238 8.622 20.343 1.00 0.00 C ATOM 178 CD2 LEU A 13 3.568 9.316 20.900 1.00 0.00 C ATOM 0 H LEU A 13 1.609 6.552 19.289 1.00 0.00 H new ATOM 0 HA LEU A 13 2.911 4.891 21.290 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.310 7.333 22.437 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.842 6.858 21.730 1.00 0.00 H new ATOM 0 HG LEU A 13 3.004 7.786 19.525 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.192 9.434 19.617 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.623 7.791 19.998 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.866 8.974 21.305 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.477 10.120 20.170 1.00 0.00 H new ATOM 0 HD22 LEU A 13 3.268 9.681 21.882 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.603 8.978 20.940 1.00 0.00 H new ATOM 190 N GLY A 14 -0.220 5.628 21.384 1.00 0.00 N ATOM 191 CA GLY A 14 -1.458 5.339 22.089 1.00 0.00 C ATOM 192 C GLY A 14 -1.795 6.377 23.142 1.00 0.00 C ATOM 193 O GLY A 14 -2.895 6.931 23.157 1.00 0.00 O ATOM 0 H GLY A 14 -0.342 6.044 20.461 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.275 5.281 21.369 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.380 4.360 22.563 1.00 0.00 H new ATOM 197 N ASP A 15 -0.842 6.645 24.022 1.00 0.00 N ATOM 198 CA ASP A 15 -1.020 7.599 25.115 1.00 0.00 C ATOM 199 C ASP A 15 -1.336 8.994 24.593 1.00 0.00 C ATOM 200 O ASP A 15 -2.217 9.686 25.110 1.00 0.00 O ATOM 201 CB ASP A 15 0.232 7.638 25.989 1.00 0.00 C ATOM 202 CG ASP A 15 0.132 8.666 27.092 1.00 0.00 C ATOM 203 OD1 ASP A 15 -0.652 8.456 28.033 1.00 0.00 O ATOM 204 OD2 ASP A 15 0.839 9.690 27.022 1.00 0.00 O ATOM 0 H ASP A 15 0.080 6.208 24.001 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.868 7.265 25.714 1.00 0.00 H new ATOM 0 HB2 ASP A 15 0.397 6.654 26.427 1.00 0.00 H new ATOM 0 HB3 ASP A 15 1.099 7.859 25.367 1.00 0.00 H new ATOM 209 N LYS A 16 -0.625 9.409 23.569 1.00 0.00 N ATOM 210 CA LYS A 16 -0.853 10.707 22.967 1.00 0.00 C ATOM 211 C LYS A 16 -1.702 10.550 21.718 1.00 0.00 C ATOM 212 O LYS A 16 -1.515 9.615 20.943 1.00 0.00 O ATOM 213 CB LYS A 16 0.482 11.380 22.615 1.00 0.00 C ATOM 214 CG LYS A 16 1.385 11.623 23.814 1.00 0.00 C ATOM 215 CD LYS A 16 2.726 12.254 23.424 1.00 0.00 C ATOM 216 CE LYS A 16 2.614 13.757 23.132 1.00 0.00 C ATOM 217 NZ LYS A 16 2.029 14.051 21.796 1.00 0.00 N ATOM 0 H LYS A 16 0.120 8.865 23.133 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.379 11.338 23.683 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.012 10.758 21.894 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.279 12.333 22.126 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.874 12.274 24.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.567 10.677 24.324 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.444 12.098 24.229 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.119 11.746 22.543 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.001 14.226 23.902 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.604 14.208 23.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 2.636 14.730 21.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 1.963 13.171 21.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 1.079 14.458 21.915 1.00 0.00 H new ATOM 231 N LYS A 17 -2.655 11.426 21.530 1.00 0.00 N ATOM 232 CA LYS A 17 -3.472 11.382 20.362 1.00 0.00 C ATOM 233 C LYS A 17 -3.466 12.727 19.684 1.00 0.00 C ATOM 234 O LYS A 17 -3.852 13.736 20.270 1.00 0.00 O ATOM 235 CB LYS A 17 -4.884 10.974 20.714 1.00 0.00 C ATOM 236 CG LYS A 17 -5.615 10.309 19.572 1.00 0.00 C ATOM 237 CD LYS A 17 -5.359 8.798 19.529 1.00 0.00 C ATOM 238 CE LYS A 17 -3.905 8.437 19.231 1.00 0.00 C ATOM 239 NZ LYS A 17 -3.708 6.963 19.120 1.00 0.00 N ATOM 0 H LYS A 17 -2.879 12.180 22.180 1.00 0.00 H new ATOM 0 HA LYS A 17 -3.065 10.638 19.677 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.857 10.293 21.565 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -5.442 11.856 21.029 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -6.685 10.493 19.670 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.300 10.757 18.630 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.645 8.361 20.486 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.000 8.350 18.770 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -3.596 8.915 18.302 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.264 8.830 20.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.698 6.757 18.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.042 6.502 19.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.247 6.601 18.307 1.00 0.00 H new ATOM 253 N GLU A 18 -3.039 12.746 18.449 1.00 0.00 N ATOM 254 CA GLU A 18 -2.912 13.992 17.710 1.00 0.00 C ATOM 255 C GLU A 18 -4.044 14.163 16.709 1.00 0.00 C ATOM 256 O GLU A 18 -4.562 15.266 16.517 1.00 0.00 O ATOM 257 CB GLU A 18 -1.562 14.044 16.995 1.00 0.00 C ATOM 258 CG GLU A 18 -0.369 13.896 17.928 1.00 0.00 C ATOM 259 CD GLU A 18 0.950 13.912 17.194 1.00 0.00 C ATOM 260 OE1 GLU A 18 1.436 15.008 16.867 1.00 0.00 O ATOM 261 OE2 GLU A 18 1.514 12.822 16.942 1.00 0.00 O ATOM 0 H GLU A 18 -2.770 11.913 17.925 1.00 0.00 H new ATOM 0 HA GLU A 18 -2.972 14.813 18.424 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.527 13.253 16.246 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.480 14.991 16.462 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.383 14.704 18.660 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.460 12.962 18.483 1.00 0.00 H new ATOM 268 N GLY A 19 -4.441 13.074 16.080 1.00 0.00 N ATOM 269 CA GLY A 19 -5.488 13.155 15.088 1.00 0.00 C ATOM 270 C GLY A 19 -6.240 11.861 14.897 1.00 0.00 C ATOM 271 O GLY A 19 -6.078 10.909 15.668 1.00 0.00 O ATOM 0 H GLY A 19 -4.061 12.140 16.236 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -6.192 13.935 15.378 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.052 13.456 14.135 1.00 0.00 H new ATOM 275 N GLU A 20 -7.051 11.821 13.853 1.00 0.00 N ATOM 276 CA GLU A 20 -7.862 10.662 13.535 1.00 0.00 C ATOM 277 C GLU A 20 -7.131 9.763 12.568 1.00 0.00 C ATOM 278 O GLU A 20 -6.261 10.209 11.811 1.00 0.00 O ATOM 279 CB GLU A 20 -9.179 11.086 12.893 1.00 0.00 C ATOM 280 CG GLU A 20 -10.069 11.944 13.762 1.00 0.00 C ATOM 281 CD GLU A 20 -11.320 12.361 13.030 1.00 0.00 C ATOM 282 OE1 GLU A 20 -12.310 11.605 13.058 1.00 0.00 O ATOM 283 OE2 GLU A 20 -11.311 13.437 12.403 1.00 0.00 O ATOM 0 H GLU A 20 -7.164 12.596 13.200 1.00 0.00 H new ATOM 0 HA GLU A 20 -8.061 10.130 14.465 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.959 11.631 11.975 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -9.731 10.191 12.607 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -10.340 11.393 14.663 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.521 12.830 14.083 1.00 0.00 H new ATOM 290 N TYR A 21 -7.468 8.501 12.584 1.00 0.00 N ATOM 291 CA TYR A 21 -6.889 7.559 11.669 1.00 0.00 C ATOM 292 C TYR A 21 -7.954 7.065 10.727 1.00 0.00 C ATOM 293 O TYR A 21 -9.075 6.756 11.143 1.00 0.00 O ATOM 294 CB TYR A 21 -6.251 6.384 12.414 1.00 0.00 C ATOM 295 CG TYR A 21 -5.273 6.804 13.497 1.00 0.00 C ATOM 296 CD1 TYR A 21 -4.526 7.971 13.375 1.00 0.00 C ATOM 297 CD2 TYR A 21 -5.115 6.046 14.648 1.00 0.00 C ATOM 298 CE1 TYR A 21 -3.654 8.365 14.358 1.00 0.00 C ATOM 299 CE2 TYR A 21 -4.241 6.440 15.642 1.00 0.00 C ATOM 300 CZ TYR A 21 -3.513 7.601 15.487 1.00 0.00 C ATOM 301 OH TYR A 21 -2.655 8.010 16.475 1.00 0.00 O ATOM 0 H TYR A 21 -8.149 8.100 13.229 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.102 8.058 11.104 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.039 5.780 12.863 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.733 5.749 11.696 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.635 8.579 12.489 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.683 5.135 14.768 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.081 9.273 14.243 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -4.128 5.843 16.535 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.861 7.436 16.477 1.00 0.00 H new ATOM 311 N ILE A 22 -7.626 6.983 9.466 1.00 0.00 N ATOM 312 CA ILE A 22 -8.573 6.560 8.483 1.00 0.00 C ATOM 313 C ILE A 22 -8.259 5.165 8.011 1.00 0.00 C ATOM 314 O ILE A 22 -7.103 4.761 7.918 1.00 0.00 O ATOM 315 CB ILE A 22 -8.608 7.497 7.264 1.00 0.00 C ATOM 316 CG1 ILE A 22 -7.242 7.574 6.600 1.00 0.00 C ATOM 317 CG2 ILE A 22 -9.095 8.885 7.660 1.00 0.00 C ATOM 318 CD1 ILE A 22 -7.326 7.601 5.098 1.00 0.00 C ATOM 0 H ILE A 22 -6.701 7.207 9.098 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.550 6.584 8.965 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.313 7.084 6.542 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.724 8.468 6.947 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.643 6.718 6.911 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.111 9.529 6.781 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -10.100 8.813 8.076 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.423 9.307 8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.322 7.656 4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.818 6.695 4.745 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.900 8.472 4.781 1.00 0.00 H new ATOM 330 N LYS A 23 -9.279 4.431 7.711 1.00 0.00 N ATOM 331 CA LYS A 23 -9.135 3.079 7.247 1.00 0.00 C ATOM 332 C LYS A 23 -9.250 3.052 5.749 1.00 0.00 C ATOM 333 O LYS A 23 -9.866 3.914 5.169 1.00 0.00 O ATOM 334 CB LYS A 23 -10.210 2.196 7.869 1.00 0.00 C ATOM 335 CG LYS A 23 -11.618 2.705 7.617 1.00 0.00 C ATOM 336 CD LYS A 23 -12.664 1.740 8.121 1.00 0.00 C ATOM 337 CE LYS A 23 -14.054 2.217 7.758 1.00 0.00 C ATOM 338 NZ LYS A 23 -14.459 3.426 8.531 1.00 0.00 N ATOM 0 H LYS A 23 -10.246 4.749 7.779 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.157 2.698 7.542 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -10.118 1.186 7.469 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -10.041 2.130 8.944 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -11.748 3.670 8.107 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.759 2.868 6.549 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -12.490 0.752 7.694 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -12.580 1.638 9.203 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -14.092 2.441 6.692 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -14.770 1.415 7.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -15.430 3.694 8.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -14.417 3.217 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -13.813 4.211 8.312 1.00 0.00 H new ATOM 352 N LEU A 24 -8.614 2.100 5.123 1.00 0.00 N ATOM 353 CA LEU A 24 -8.701 1.926 3.686 1.00 0.00 C ATOM 354 C LEU A 24 -8.573 0.452 3.338 1.00 0.00 C ATOM 355 O LEU A 24 -8.403 -0.398 4.226 1.00 0.00 O ATOM 356 CB LEU A 24 -7.631 2.734 2.935 1.00 0.00 C ATOM 357 CG LEU A 24 -7.458 4.183 3.361 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.326 4.310 4.363 1.00 0.00 C ATOM 359 CD2 LEU A 24 -7.221 5.063 2.160 1.00 0.00 C ATOM 0 H LEU A 24 -8.017 1.417 5.590 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.674 2.301 3.370 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.674 2.226 3.053 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.872 2.716 1.872 1.00 0.00 H new ATOM 0 HG LEU A 24 -8.376 4.515 3.845 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.216 5.354 4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.549 3.707 5.243 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -5.398 3.961 3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.100 6.096 2.484 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.319 4.737 1.642 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -8.073 4.993 1.484 1.00 0.00 H new ATOM 371 N LYS A 25 -8.622 0.147 2.059 1.00 0.00 N ATOM 372 CA LYS A 25 -8.574 -1.220 1.594 1.00 0.00 C ATOM 373 C LYS A 25 -7.827 -1.294 0.273 1.00 0.00 C ATOM 374 O LYS A 25 -7.975 -0.431 -0.587 1.00 0.00 O ATOM 375 CB LYS A 25 -10.008 -1.767 1.462 1.00 0.00 C ATOM 376 CG LYS A 25 -10.124 -3.178 0.881 1.00 0.00 C ATOM 377 CD LYS A 25 -10.259 -3.169 -0.633 1.00 0.00 C ATOM 378 CE LYS A 25 -11.516 -2.439 -1.077 1.00 0.00 C ATOM 379 NZ LYS A 25 -12.755 -3.095 -0.587 1.00 0.00 N ATOM 0 H LYS A 25 -8.696 0.840 1.314 1.00 0.00 H new ATOM 0 HA LYS A 25 -8.037 -1.837 2.314 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.473 -1.759 2.448 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.582 -1.086 0.833 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -9.245 -3.758 1.162 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -10.988 -3.678 1.318 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.385 -2.691 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -10.283 -4.194 -1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -11.484 -1.412 -0.713 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -11.540 -2.391 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -13.581 -2.666 -1.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.722 -4.110 -0.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -12.831 -2.969 0.443 1.00 0.00 H new ATOM 393 N VAL A 26 -7.020 -2.324 0.102 1.00 0.00 N ATOM 394 CA VAL A 26 -6.241 -2.476 -1.120 1.00 0.00 C ATOM 395 C VAL A 26 -6.302 -3.911 -1.598 1.00 0.00 C ATOM 396 O VAL A 26 -6.307 -4.843 -0.791 1.00 0.00 O ATOM 397 CB VAL A 26 -4.756 -2.038 -0.944 1.00 0.00 C ATOM 398 CG1 VAL A 26 -4.668 -0.722 -0.213 1.00 0.00 C ATOM 399 CG2 VAL A 26 -3.960 -3.080 -0.211 1.00 0.00 C ATOM 0 H VAL A 26 -6.885 -3.067 0.788 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.684 -1.816 -1.866 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.333 -1.920 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.622 -0.437 -0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.195 0.045 -0.780 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.123 -0.822 0.772 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.929 -2.743 -0.105 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.392 -3.240 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.980 -4.015 -0.772 1.00 0.00 H new ATOM 409 N ILE A 27 -6.393 -4.098 -2.897 1.00 0.00 N ATOM 410 CA ILE A 27 -6.492 -5.431 -3.469 1.00 0.00 C ATOM 411 C ILE A 27 -5.418 -5.648 -4.499 1.00 0.00 C ATOM 412 O ILE A 27 -5.144 -4.777 -5.329 1.00 0.00 O ATOM 413 CB ILE A 27 -7.857 -5.629 -4.144 1.00 0.00 C ATOM 414 CG1 ILE A 27 -8.954 -5.155 -3.215 1.00 0.00 C ATOM 415 CG2 ILE A 27 -8.066 -7.095 -4.519 1.00 0.00 C ATOM 416 CD1 ILE A 27 -10.287 -4.971 -3.887 1.00 0.00 C ATOM 0 H ILE A 27 -6.401 -3.343 -3.583 1.00 0.00 H new ATOM 0 HA ILE A 27 -6.373 -6.147 -2.656 1.00 0.00 H new ATOM 0 HB ILE A 27 -7.888 -5.041 -5.061 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -9.064 -5.874 -2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -8.652 -4.209 -2.765 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -9.039 -7.213 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -7.283 -7.409 -5.209 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -8.025 -7.710 -3.620 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -11.019 -4.630 -3.155 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -10.195 -4.230 -4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -10.614 -5.920 -4.313 1.00 0.00 H new ATOM 428 N GLY A 28 -4.802 -6.798 -4.457 1.00 0.00 N ATOM 429 CA GLY A 28 -3.802 -7.104 -5.430 1.00 0.00 C ATOM 430 C GLY A 28 -4.286 -8.096 -6.443 1.00 0.00 C ATOM 431 O GLY A 28 -5.351 -8.695 -6.284 1.00 0.00 O ATOM 0 H GLY A 28 -4.975 -7.528 -3.766 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.498 -6.188 -5.937 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -2.919 -7.500 -4.929 1.00 0.00 H new ATOM 435 N GLN A 29 -3.496 -8.292 -7.488 1.00 0.00 N ATOM 436 CA GLN A 29 -3.825 -9.236 -8.561 1.00 0.00 C ATOM 437 C GLN A 29 -3.820 -10.670 -8.023 1.00 0.00 C ATOM 438 O GLN A 29 -4.224 -11.615 -8.696 1.00 0.00 O ATOM 439 CB GLN A 29 -2.818 -9.090 -9.727 1.00 0.00 C ATOM 440 CG GLN A 29 -1.556 -9.958 -9.612 1.00 0.00 C ATOM 441 CD GLN A 29 -0.702 -9.670 -8.381 1.00 0.00 C ATOM 442 OE1 GLN A 29 -0.071 -10.568 -7.838 1.00 0.00 O ATOM 443 NE2 GLN A 29 -0.645 -8.421 -7.958 1.00 0.00 N ATOM 0 H GLN A 29 -2.610 -7.806 -7.622 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.824 -9.011 -8.936 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.327 -9.338 -10.659 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -2.516 -8.045 -9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.852 -11.007 -9.597 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.947 -9.812 -10.504 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -1.183 -7.697 -8.433 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -0.063 -8.180 -7.156 1.00 0.00 H new ATOM 452 N ASP A 30 -3.372 -10.808 -6.789 1.00 0.00 N ATOM 453 CA ASP A 30 -3.286 -12.085 -6.117 1.00 0.00 C ATOM 454 C ASP A 30 -4.651 -12.461 -5.523 1.00 0.00 C ATOM 455 O ASP A 30 -4.817 -13.526 -4.934 1.00 0.00 O ATOM 456 CB ASP A 30 -2.224 -11.985 -5.001 1.00 0.00 C ATOM 457 CG ASP A 30 -1.969 -13.305 -4.294 1.00 0.00 C ATOM 458 OD1 ASP A 30 -1.280 -14.176 -4.869 1.00 0.00 O ATOM 459 OD2 ASP A 30 -2.450 -13.476 -3.161 1.00 0.00 O ATOM 0 H ASP A 30 -3.054 -10.023 -6.220 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.999 -12.860 -6.828 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.289 -11.624 -5.430 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.545 -11.245 -4.268 1.00 0.00 H new ATOM 464 N SER A 31 -5.647 -11.573 -5.710 1.00 0.00 N ATOM 465 CA SER A 31 -7.000 -11.756 -5.160 1.00 0.00 C ATOM 466 C SER A 31 -6.990 -11.658 -3.638 1.00 0.00 C ATOM 467 O SER A 31 -7.972 -11.984 -2.959 1.00 0.00 O ATOM 468 CB SER A 31 -7.621 -13.077 -5.633 1.00 0.00 C ATOM 469 OG SER A 31 -7.720 -13.103 -7.051 1.00 0.00 O ATOM 0 H SER A 31 -5.535 -10.712 -6.245 1.00 0.00 H new ATOM 0 HA SER A 31 -7.626 -10.948 -5.540 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.013 -13.914 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.610 -13.199 -5.192 1.00 0.00 H new ATOM 0 HG SER A 31 -8.116 -13.953 -7.336 1.00 0.00 H new ATOM 475 N SER A 32 -5.887 -11.178 -3.107 1.00 0.00 N ATOM 476 CA SER A 32 -5.737 -10.995 -1.697 1.00 0.00 C ATOM 477 C SER A 32 -5.792 -9.519 -1.379 1.00 0.00 C ATOM 478 O SER A 32 -5.073 -8.722 -1.967 1.00 0.00 O ATOM 479 CB SER A 32 -4.418 -11.602 -1.224 1.00 0.00 C ATOM 480 OG SER A 32 -4.389 -13.002 -1.467 1.00 0.00 O ATOM 0 H SER A 32 -5.069 -10.905 -3.652 1.00 0.00 H new ATOM 0 HA SER A 32 -6.548 -11.502 -1.174 1.00 0.00 H new ATOM 0 HB2 SER A 32 -3.586 -11.122 -1.740 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.286 -11.411 -0.159 1.00 0.00 H new ATOM 0 HG SER A 32 -3.692 -13.205 -2.126 1.00 0.00 H new ATOM 486 N GLU A 33 -6.707 -9.145 -0.533 1.00 0.00 N ATOM 487 CA GLU A 33 -6.842 -7.766 -0.122 1.00 0.00 C ATOM 488 C GLU A 33 -6.493 -7.583 1.343 1.00 0.00 C ATOM 489 O GLU A 33 -6.443 -8.544 2.113 1.00 0.00 O ATOM 490 CB GLU A 33 -8.268 -7.252 -0.394 1.00 0.00 C ATOM 491 CG GLU A 33 -9.364 -7.902 0.453 1.00 0.00 C ATOM 492 CD GLU A 33 -9.714 -9.311 0.011 1.00 0.00 C ATOM 493 OE1 GLU A 33 -9.089 -10.274 0.509 1.00 0.00 O ATOM 494 OE2 GLU A 33 -10.621 -9.462 -0.828 1.00 0.00 O ATOM 0 H GLU A 33 -7.382 -9.780 -0.106 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.137 -7.181 -0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -8.288 -6.176 -0.223 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.501 -7.412 -1.447 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.042 -7.926 1.494 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -10.260 -7.283 0.411 1.00 0.00 H new ATOM 501 N ILE A 34 -6.250 -6.344 1.732 1.00 0.00 N ATOM 502 CA ILE A 34 -5.955 -6.033 3.107 1.00 0.00 C ATOM 503 C ILE A 34 -6.627 -4.720 3.517 1.00 0.00 C ATOM 504 O ILE A 34 -6.792 -3.805 2.700 1.00 0.00 O ATOM 505 CB ILE A 34 -4.426 -5.965 3.381 1.00 0.00 C ATOM 506 CG1 ILE A 34 -4.172 -5.908 4.879 1.00 0.00 C ATOM 507 CG2 ILE A 34 -3.807 -4.761 2.701 1.00 0.00 C ATOM 508 CD1 ILE A 34 -2.794 -6.345 5.276 1.00 0.00 C ATOM 0 H ILE A 34 -6.253 -5.538 1.107 1.00 0.00 H new ATOM 0 HA ILE A 34 -6.357 -6.845 3.712 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.962 -6.862 2.971 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.334 -4.888 5.227 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.903 -6.538 5.386 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.737 -4.736 2.908 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.967 -4.829 1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.271 -3.850 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.688 -6.277 6.359 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -2.634 -7.376 4.960 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.056 -5.700 4.798 1.00 0.00 H new ATOM 520 N HIS A 35 -7.064 -4.649 4.760 1.00 0.00 N ATOM 521 CA HIS A 35 -7.669 -3.439 5.307 1.00 0.00 C ATOM 522 C HIS A 35 -6.742 -2.882 6.367 1.00 0.00 C ATOM 523 O HIS A 35 -6.134 -3.642 7.117 1.00 0.00 O ATOM 524 CB HIS A 35 -9.034 -3.735 5.951 1.00 0.00 C ATOM 525 CG HIS A 35 -10.121 -4.145 5.000 1.00 0.00 C ATOM 526 ND1 HIS A 35 -11.457 -3.998 5.288 1.00 0.00 N ATOM 527 CD2 HIS A 35 -10.069 -4.720 3.781 1.00 0.00 C ATOM 528 CE1 HIS A 35 -12.176 -4.464 4.294 1.00 0.00 C ATOM 529 NE2 HIS A 35 -11.362 -4.911 3.364 1.00 0.00 N ATOM 0 H HIS A 35 -7.012 -5.424 5.421 1.00 0.00 H new ATOM 0 HA HIS A 35 -7.821 -2.726 4.496 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -8.904 -4.526 6.690 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.363 -2.846 6.490 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -11.832 -3.589 6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -9.175 -4.982 3.234 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -13.255 -4.478 4.248 1.00 0.00 H new ATOM 538 N PHE A 36 -6.618 -1.580 6.444 1.00 0.00 N ATOM 539 CA PHE A 36 -5.732 -0.974 7.429 1.00 0.00 C ATOM 540 C PHE A 36 -6.222 0.385 7.857 1.00 0.00 C ATOM 541 O PHE A 36 -6.993 1.029 7.154 1.00 0.00 O ATOM 542 CB PHE A 36 -4.297 -0.861 6.884 1.00 0.00 C ATOM 543 CG PHE A 36 -4.221 -0.400 5.461 1.00 0.00 C ATOM 544 CD1 PHE A 36 -4.380 0.934 5.138 1.00 0.00 C ATOM 545 CD2 PHE A 36 -3.987 -1.308 4.447 1.00 0.00 C ATOM 546 CE1 PHE A 36 -4.310 1.353 3.830 1.00 0.00 C ATOM 547 CE2 PHE A 36 -3.917 -0.896 3.140 1.00 0.00 C ATOM 548 CZ PHE A 36 -4.078 0.440 2.830 1.00 0.00 C ATOM 0 H PHE A 36 -7.111 -0.917 5.846 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.731 -1.628 8.301 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.735 -0.168 7.510 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -3.810 -1.833 6.967 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.561 1.655 5.921 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.858 -2.353 4.685 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.437 2.398 3.589 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.736 -1.615 2.355 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.022 0.767 1.802 1.00 0.00 H new HETATM 558 OH ALY A 37 -5.710 0.076 17.441 1.00 0.00 O HETATM 559 CH ALY A 37 -6.495 -0.391 16.606 1.00 0.00 C HETATM 560 CH3 ALY A 37 -7.042 -1.788 16.732 1.00 0.00 C HETATM 561 NZ ALY A 37 -6.893 0.297 15.545 1.00 0.00 N HETATM 562 CE ALY A 37 -6.137 0.378 14.306 1.00 0.00 C HETATM 563 CD ALY A 37 -6.878 1.176 13.247 1.00 0.00 C HETATM 564 CG ALY A 37 -6.104 1.212 11.947 1.00 0.00 C HETATM 565 CB ALY A 37 -6.835 2.028 10.886 1.00 0.00 C HETATM 566 CA ALY A 37 -6.101 2.124 9.532 1.00 0.00 C HETATM 567 N ALY A 37 -5.777 0.816 9.020 1.00 0.00 N HETATM 568 C ALY A 37 -4.828 2.950 9.649 1.00 0.00 C HETATM 569 O ALY A 37 -3.947 2.659 10.460 1.00 0.00 O HETATM 0 HH33 ALY A 37 -6.219 -2.503 16.724 1.00 0.00 H new HETATM 0 HH32 ALY A 37 -7.594 -1.880 17.668 1.00 0.00 H new HETATM 0 HH31 ALY A 37 -7.710 -1.994 15.896 1.00 0.00 H new HETATM 0 HZ ALY A 37 -7.780 0.798 15.601 1.00 0.00 H new HETATM 0 HG3 ALY A 37 -5.951 0.195 11.585 1.00 0.00 H new HETATM 0 HG2 ALY A 37 -5.117 1.640 12.121 1.00 0.00 H new HETATM 0 HE3 ALY A 37 -5.941 -0.627 13.933 1.00 0.00 H new HETATM 0 HE2 ALY A 37 -5.169 0.841 14.500 1.00 0.00 H new HETATM 0 HD3 ALY A 37 -7.043 2.193 13.603 1.00 0.00 H new HETATM 0 HD2 ALY A 37 -7.860 0.735 13.076 1.00 0.00 H new HETATM 0 HCA ALY A 37 -6.780 2.619 8.837 1.00 0.00 H new HETATM 0 HB3 ALY A 37 -6.997 3.036 11.269 1.00 0.00 H new HETATM 0 HB2 ALY A 37 -7.818 1.588 10.721 1.00 0.00 H new ATOM 584 N VAL A 38 -4.706 3.949 8.811 1.00 0.00 N ATOM 585 CA VAL A 38 -3.525 4.790 8.804 1.00 0.00 C ATOM 586 C VAL A 38 -3.844 6.179 9.326 1.00 0.00 C ATOM 587 O VAL A 38 -4.984 6.502 9.601 1.00 0.00 O ATOM 588 CB VAL A 38 -2.902 4.897 7.391 1.00 0.00 C ATOM 589 CG1 VAL A 38 -2.531 3.520 6.868 1.00 0.00 C ATOM 590 CG2 VAL A 38 -3.846 5.603 6.429 1.00 0.00 C ATOM 0 H VAL A 38 -5.411 4.204 8.120 1.00 0.00 H new ATOM 0 HA VAL A 38 -2.797 4.317 9.464 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.993 5.494 7.465 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.094 3.614 5.874 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.807 3.058 7.540 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -3.425 2.898 6.815 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.383 5.664 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -4.778 5.043 6.357 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.054 6.608 6.795 1.00 0.00 H new ATOM 600 N LYS A 39 -2.839 7.005 9.432 1.00 0.00 N ATOM 601 CA LYS A 39 -3.004 8.350 9.942 1.00 0.00 C ATOM 602 C LYS A 39 -3.247 9.291 8.766 1.00 0.00 C ATOM 603 O LYS A 39 -2.916 8.950 7.626 1.00 0.00 O ATOM 604 CB LYS A 39 -1.735 8.750 10.714 1.00 0.00 C ATOM 605 CG LYS A 39 -1.839 10.033 11.526 1.00 0.00 C ATOM 606 CD LYS A 39 -0.585 10.236 12.369 1.00 0.00 C ATOM 607 CE LYS A 39 -0.687 11.460 13.265 1.00 0.00 C ATOM 608 NZ LYS A 39 0.497 11.589 14.157 1.00 0.00 N ATOM 0 H LYS A 39 -1.882 6.771 9.169 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.855 8.407 10.620 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.468 7.935 11.387 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.916 8.856 10.002 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -1.976 10.883 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.716 9.991 12.172 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.415 9.352 12.983 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.279 10.339 11.713 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.778 12.355 12.650 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.592 11.395 13.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.392 12.435 14.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.570 10.746 14.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.358 11.677 13.580 1.00 0.00 H new ATOM 622 N MET A 40 -3.839 10.467 9.026 1.00 0.00 N ATOM 623 CA MET A 40 -4.106 11.453 7.965 1.00 0.00 C ATOM 624 C MET A 40 -2.838 11.717 7.175 1.00 0.00 C ATOM 625 O MET A 40 -2.855 11.850 5.950 1.00 0.00 O ATOM 626 CB MET A 40 -4.636 12.758 8.570 1.00 0.00 C ATOM 627 CG MET A 40 -5.032 13.835 7.553 1.00 0.00 C ATOM 628 SD MET A 40 -6.520 13.424 6.601 1.00 0.00 S ATOM 629 CE MET A 40 -5.824 12.573 5.179 1.00 0.00 C ATOM 0 H MET A 40 -4.141 10.758 9.956 1.00 0.00 H new ATOM 0 HA MET A 40 -4.865 11.051 7.293 1.00 0.00 H new ATOM 0 HB2 MET A 40 -5.504 12.527 9.188 1.00 0.00 H new ATOM 0 HB3 MET A 40 -3.874 13.169 9.232 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.195 14.776 8.078 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.203 13.994 6.864 1.00 0.00 H new ATOM 0 HE1 MET A 40 -6.483 12.701 4.320 1.00 0.00 H new ATOM 0 HE2 MET A 40 -4.844 12.990 4.949 1.00 0.00 H new ATOM 0 HE3 MET A 40 -5.723 11.511 5.404 1.00 0.00 H new ATOM 639 N THR A 41 -1.731 11.788 7.875 1.00 0.00 N ATOM 640 CA THR A 41 -0.466 11.964 7.236 1.00 0.00 C ATOM 641 C THR A 41 0.515 10.898 7.712 1.00 0.00 C ATOM 642 O THR A 41 0.832 10.809 8.904 1.00 0.00 O ATOM 643 CB THR A 41 0.091 13.369 7.529 1.00 0.00 C ATOM 644 OG1 THR A 41 0.273 13.536 8.945 1.00 0.00 O ATOM 645 CG2 THR A 41 -0.879 14.429 7.025 1.00 0.00 C ATOM 0 H THR A 41 -1.690 11.725 8.892 1.00 0.00 H new ATOM 0 HA THR A 41 -0.601 11.862 6.159 1.00 0.00 H new ATOM 0 HB THR A 41 1.048 13.479 7.020 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.542 12.682 9.343 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.477 15.420 7.236 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.016 14.315 5.950 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.839 14.312 7.528 1.00 0.00 H new ATOM 653 N THR A 42 0.985 10.080 6.786 1.00 0.00 N ATOM 654 CA THR A 42 1.931 9.030 7.088 1.00 0.00 C ATOM 655 C THR A 42 2.421 8.394 5.791 1.00 0.00 C ATOM 656 O THR A 42 1.883 8.670 4.716 1.00 0.00 O ATOM 657 CB THR A 42 1.309 7.940 8.008 1.00 0.00 C ATOM 658 OG1 THR A 42 2.339 7.101 8.542 1.00 0.00 O ATOM 659 CG2 THR A 42 0.307 7.082 7.245 1.00 0.00 C ATOM 0 H THR A 42 0.718 10.129 5.803 1.00 0.00 H new ATOM 0 HA THR A 42 2.769 9.477 7.623 1.00 0.00 H new ATOM 0 HB THR A 42 0.788 8.447 8.820 1.00 0.00 H new ATOM 0 HG1 THR A 42 1.938 6.419 9.121 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.111 6.329 7.914 1.00 0.00 H new ATOM 0 HG22 THR A 42 -0.495 7.713 6.862 1.00 0.00 H new ATOM 0 HG23 THR A 42 0.809 6.589 6.413 1.00 0.00 H new ATOM 667 N HIS A 43 3.421 7.543 5.881 1.00 0.00 N ATOM 668 CA HIS A 43 3.959 6.880 4.707 1.00 0.00 C ATOM 669 C HIS A 43 3.281 5.536 4.496 1.00 0.00 C ATOM 670 O HIS A 43 3.241 4.696 5.395 1.00 0.00 O ATOM 671 CB HIS A 43 5.471 6.700 4.829 1.00 0.00 C ATOM 672 CG HIS A 43 6.229 7.991 4.820 1.00 0.00 C ATOM 673 ND1 HIS A 43 6.962 8.439 5.889 1.00 0.00 N ATOM 674 CD2 HIS A 43 6.368 8.927 3.855 1.00 0.00 C ATOM 675 CE1 HIS A 43 7.517 9.594 5.585 1.00 0.00 C ATOM 676 NE2 HIS A 43 7.173 9.912 4.356 1.00 0.00 N ATOM 0 H HIS A 43 3.880 7.292 6.756 1.00 0.00 H new ATOM 0 HA HIS A 43 3.759 7.510 3.840 1.00 0.00 H new ATOM 0 HB2 HIS A 43 5.692 6.165 5.752 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.822 6.076 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 43 5.925 8.902 2.870 1.00 0.00 H new ATOM 0 HE1 HIS A 43 8.148 10.181 6.235 1.00 0.00 H new ATOM 0 HE2 HIS A 43 7.460 10.755 3.858 1.00 0.00 H new ATOM 685 N LEU A 44 2.751 5.331 3.298 1.00 0.00 N ATOM 686 CA LEU A 44 2.030 4.100 2.947 1.00 0.00 C ATOM 687 C LEU A 44 2.913 2.846 3.020 1.00 0.00 C ATOM 688 O LEU A 44 2.425 1.716 2.912 1.00 0.00 O ATOM 689 CB LEU A 44 1.398 4.229 1.562 1.00 0.00 C ATOM 690 CG LEU A 44 0.406 5.384 1.397 1.00 0.00 C ATOM 691 CD1 LEU A 44 -0.287 5.308 0.052 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.617 5.395 2.527 1.00 0.00 C ATOM 0 H LEU A 44 2.805 6.009 2.538 1.00 0.00 H new ATOM 0 HA LEU A 44 1.245 3.973 3.693 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.195 4.349 0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.886 3.296 1.327 1.00 0.00 H new ATOM 0 HG LEU A 44 0.968 6.317 1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.987 6.138 -0.044 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.456 5.366 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.829 4.365 -0.025 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.308 6.225 2.384 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.172 4.457 2.525 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.104 5.511 3.482 1.00 0.00 H new ATOM 704 N LYS A 45 4.209 3.033 3.192 1.00 0.00 N ATOM 705 CA LYS A 45 5.135 1.922 3.304 1.00 0.00 C ATOM 706 C LYS A 45 4.710 0.984 4.443 1.00 0.00 C ATOM 707 O LYS A 45 4.903 -0.227 4.372 1.00 0.00 O ATOM 708 CB LYS A 45 6.557 2.454 3.526 1.00 0.00 C ATOM 709 CG LYS A 45 7.658 1.404 3.403 1.00 0.00 C ATOM 710 CD LYS A 45 7.946 0.695 4.721 1.00 0.00 C ATOM 711 CE LYS A 45 8.420 1.666 5.797 1.00 0.00 C ATOM 712 NZ LYS A 45 8.836 0.959 7.034 1.00 0.00 N ATOM 0 H LYS A 45 4.646 3.952 3.258 1.00 0.00 H new ATOM 0 HA LYS A 45 5.122 1.348 2.378 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.750 3.249 2.805 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.611 2.903 4.518 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.369 0.666 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 45 8.570 1.881 3.045 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.045 0.185 5.063 1.00 0.00 H new ATOM 0 HD3 LYS A 45 8.705 -0.071 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.256 2.252 5.415 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.620 2.368 6.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.352 1.617 7.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.994 0.604 7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.454 0.160 6.786 1.00 0.00 H new ATOM 726 N LYS A 46 4.086 1.549 5.477 1.00 0.00 N ATOM 727 CA LYS A 46 3.625 0.769 6.618 1.00 0.00 C ATOM 728 C LYS A 46 2.548 -0.241 6.196 1.00 0.00 C ATOM 729 O LYS A 46 2.419 -1.320 6.784 1.00 0.00 O ATOM 730 CB LYS A 46 3.094 1.700 7.731 1.00 0.00 C ATOM 731 CG LYS A 46 1.833 2.494 7.361 1.00 0.00 C ATOM 732 CD LYS A 46 0.545 1.706 7.627 1.00 0.00 C ATOM 733 CE LYS A 46 0.083 1.812 9.079 1.00 0.00 C ATOM 734 NZ LYS A 46 1.078 1.281 10.036 1.00 0.00 N ATOM 0 H LYS A 46 3.889 2.548 5.545 1.00 0.00 H new ATOM 0 HA LYS A 46 4.474 0.210 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 46 2.882 1.100 8.616 1.00 0.00 H new ATOM 0 HB3 LYS A 46 3.881 2.403 8.004 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.812 3.423 7.931 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.876 2.768 6.307 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.244 2.073 6.971 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.706 0.658 7.376 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.121 2.856 9.316 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -0.855 1.269 9.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 0.721 1.393 11.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 1.242 0.273 9.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.971 1.803 9.934 1.00 0.00 H new ATOM 748 N LEU A 47 1.774 0.097 5.163 1.00 0.00 N ATOM 749 CA LEU A 47 0.731 -0.797 4.713 1.00 0.00 C ATOM 750 C LEU A 47 1.342 -1.880 3.859 1.00 0.00 C ATOM 751 O LEU A 47 0.869 -3.011 3.841 1.00 0.00 O ATOM 752 CB LEU A 47 -0.401 -0.050 3.981 1.00 0.00 C ATOM 753 CG LEU A 47 -0.139 0.381 2.539 1.00 0.00 C ATOM 754 CD1 LEU A 47 -0.544 -0.709 1.556 1.00 0.00 C ATOM 755 CD2 LEU A 47 -0.870 1.664 2.240 1.00 0.00 C ATOM 0 H LEU A 47 1.854 0.968 4.638 1.00 0.00 H new ATOM 0 HA LEU A 47 0.263 -1.257 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.285 -0.688 3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.647 0.840 4.560 1.00 0.00 H new ATOM 0 HG LEU A 47 0.931 0.551 2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.346 -0.373 0.538 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.030 -1.613 1.758 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.607 -0.922 1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -0.676 1.962 1.210 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.941 1.514 2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.523 2.446 2.915 1.00 0.00 H new ATOM 767 N LYS A 48 2.419 -1.528 3.139 1.00 0.00 N ATOM 768 CA LYS A 48 3.169 -2.523 2.376 1.00 0.00 C ATOM 769 C LYS A 48 3.647 -3.616 3.314 1.00 0.00 C ATOM 770 O LYS A 48 3.553 -4.808 3.012 1.00 0.00 O ATOM 771 CB LYS A 48 4.386 -1.903 1.674 1.00 0.00 C ATOM 772 CG LYS A 48 4.124 -1.359 0.278 1.00 0.00 C ATOM 773 CD LYS A 48 3.351 -0.056 0.297 1.00 0.00 C ATOM 774 CE LYS A 48 3.184 0.502 -1.110 1.00 0.00 C ATOM 775 NZ LYS A 48 4.438 0.391 -1.910 1.00 0.00 N ATOM 0 H LYS A 48 2.781 -0.577 3.073 1.00 0.00 H new ATOM 0 HA LYS A 48 2.505 -2.930 1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.770 -1.094 2.295 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.171 -2.656 1.611 1.00 0.00 H new ATOM 0 HG2 LYS A 48 5.075 -1.206 -0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.568 -2.099 -0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.371 -0.217 0.746 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.872 0.671 0.920 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.382 -0.032 -1.619 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.883 1.548 -1.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.354 0.971 -2.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.242 0.727 -1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.593 -0.602 -2.176 1.00 0.00 H new ATOM 789 N GLU A 49 4.152 -3.203 4.471 1.00 0.00 N ATOM 790 CA GLU A 49 4.627 -4.132 5.479 1.00 0.00 C ATOM 791 C GLU A 49 3.504 -5.010 5.957 1.00 0.00 C ATOM 792 O GLU A 49 3.582 -6.221 5.888 1.00 0.00 O ATOM 793 CB GLU A 49 5.187 -3.375 6.667 1.00 0.00 C ATOM 794 CG GLU A 49 6.318 -2.454 6.319 1.00 0.00 C ATOM 795 CD GLU A 49 6.876 -1.751 7.534 1.00 0.00 C ATOM 796 OE1 GLU A 49 7.436 -2.431 8.413 1.00 0.00 O ATOM 797 OE2 GLU A 49 6.761 -0.516 7.615 1.00 0.00 O ATOM 0 H GLU A 49 4.242 -2.221 4.732 1.00 0.00 H new ATOM 0 HA GLU A 49 5.407 -4.747 5.029 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.387 -2.795 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.530 -4.091 7.413 1.00 0.00 H new ATOM 0 HG2 GLU A 49 7.111 -3.023 5.834 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.972 -1.712 5.599 1.00 0.00 H new ATOM 804 N SER A 50 2.432 -4.384 6.402 1.00 0.00 N ATOM 805 CA SER A 50 1.271 -5.097 6.923 1.00 0.00 C ATOM 806 C SER A 50 0.722 -6.089 5.892 1.00 0.00 C ATOM 807 O SER A 50 0.220 -7.156 6.234 1.00 0.00 O ATOM 808 CB SER A 50 0.194 -4.091 7.324 1.00 0.00 C ATOM 809 OG SER A 50 0.727 -3.106 8.200 1.00 0.00 O ATOM 0 H SER A 50 2.336 -3.369 6.415 1.00 0.00 H new ATOM 0 HA SER A 50 1.577 -5.668 7.800 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.212 -3.611 6.433 1.00 0.00 H new ATOM 0 HB3 SER A 50 -0.632 -4.610 7.811 1.00 0.00 H new ATOM 0 HG SER A 50 1.218 -2.436 7.679 1.00 0.00 H new ATOM 815 N TYR A 51 0.871 -5.748 4.629 1.00 0.00 N ATOM 816 CA TYR A 51 0.387 -6.584 3.543 1.00 0.00 C ATOM 817 C TYR A 51 1.308 -7.800 3.400 1.00 0.00 C ATOM 818 O TYR A 51 0.861 -8.947 3.387 1.00 0.00 O ATOM 819 CB TYR A 51 0.353 -5.768 2.246 1.00 0.00 C ATOM 820 CG TYR A 51 -0.532 -6.312 1.132 1.00 0.00 C ATOM 821 CD1 TYR A 51 -0.443 -7.627 0.706 1.00 0.00 C ATOM 822 CD2 TYR A 51 -1.423 -5.479 0.477 1.00 0.00 C ATOM 823 CE1 TYR A 51 -1.228 -8.092 -0.339 1.00 0.00 C ATOM 824 CE2 TYR A 51 -2.190 -5.934 -0.575 1.00 0.00 C ATOM 825 CZ TYR A 51 -2.088 -7.233 -0.973 1.00 0.00 C ATOM 826 OH TYR A 51 -2.827 -7.669 -2.031 1.00 0.00 O ATOM 0 H TYR A 51 1.328 -4.889 4.324 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.624 -6.932 3.756 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.020 -4.758 2.485 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.371 -5.687 1.866 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.247 -8.299 1.194 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -1.519 -4.452 0.796 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.162 -9.124 -0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -2.869 -5.263 -1.081 1.00 0.00 H new ATOM 0 HH TYR A 51 -3.765 -7.756 -1.761 1.00 0.00 H new ATOM 836 N CYS A 52 2.599 -7.537 3.307 1.00 0.00 N ATOM 837 CA CYS A 52 3.603 -8.588 3.185 1.00 0.00 C ATOM 838 C CYS A 52 3.625 -9.481 4.430 1.00 0.00 C ATOM 839 O CYS A 52 3.834 -10.677 4.344 1.00 0.00 O ATOM 840 CB CYS A 52 4.987 -7.965 2.951 1.00 0.00 C ATOM 841 SG CYS A 52 6.332 -9.158 2.759 1.00 0.00 S ATOM 0 H CYS A 52 2.984 -6.593 3.314 1.00 0.00 H new ATOM 0 HA CYS A 52 3.342 -9.212 2.331 1.00 0.00 H new ATOM 0 HB2 CYS A 52 4.943 -7.341 2.058 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.220 -7.307 3.788 1.00 0.00 H new ATOM 0 HG CYS A 52 6.118 -9.888 1.705 1.00 0.00 H new ATOM 847 N GLN A 53 3.396 -8.894 5.586 1.00 0.00 N ATOM 848 CA GLN A 53 3.408 -9.636 6.848 1.00 0.00 C ATOM 849 C GLN A 53 2.163 -10.510 6.996 1.00 0.00 C ATOM 850 O GLN A 53 2.198 -11.575 7.616 1.00 0.00 O ATOM 851 CB GLN A 53 3.532 -8.675 8.032 1.00 0.00 C ATOM 852 CG GLN A 53 4.798 -7.823 8.000 1.00 0.00 C ATOM 853 CD GLN A 53 6.067 -8.602 8.303 1.00 0.00 C ATOM 854 OE1 GLN A 53 6.168 -9.797 8.017 1.00 0.00 O ATOM 855 NE2 GLN A 53 7.043 -7.928 8.878 1.00 0.00 N ATOM 0 H GLN A 53 3.197 -7.899 5.687 1.00 0.00 H new ATOM 0 HA GLN A 53 4.276 -10.295 6.838 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.663 -8.018 8.048 1.00 0.00 H new ATOM 0 HB3 GLN A 53 3.514 -9.249 8.958 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.891 -7.363 7.016 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.698 -7.013 8.722 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.919 -6.940 9.098 1.00 0.00 H new ATOM 0 HE22 GLN A 53 7.922 -8.395 9.102 1.00 0.00 H new ATOM 864 N ARG A 54 1.056 -10.057 6.433 1.00 0.00 N ATOM 865 CA ARG A 54 -0.202 -10.785 6.517 1.00 0.00 C ATOM 866 C ARG A 54 -0.311 -11.839 5.418 1.00 0.00 C ATOM 867 O ARG A 54 -0.544 -13.014 5.689 1.00 0.00 O ATOM 868 CB ARG A 54 -1.371 -9.803 6.416 1.00 0.00 C ATOM 869 CG ARG A 54 -2.728 -10.454 6.198 1.00 0.00 C ATOM 870 CD ARG A 54 -3.198 -11.239 7.409 1.00 0.00 C ATOM 871 NE ARG A 54 -4.421 -11.990 7.114 1.00 0.00 N ATOM 872 CZ ARG A 54 -5.628 -11.435 6.926 1.00 0.00 C ATOM 873 NH1 ARG A 54 -5.805 -10.126 7.119 1.00 0.00 N ATOM 874 NH2 ARG A 54 -6.664 -12.198 6.575 1.00 0.00 N ATOM 0 H ARG A 54 1.001 -9.183 5.909 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.235 -11.299 7.478 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.410 -9.210 7.330 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -1.178 -9.112 5.595 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.462 -9.684 5.961 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.674 -11.119 5.336 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.414 -11.927 7.726 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -3.379 -10.557 8.240 1.00 0.00 H new ATOM 0 HE ARG A 54 -4.350 -13.005 7.047 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -5.021 -9.543 7.411 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -6.725 -9.709 6.975 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -6.538 -13.202 6.450 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -7.582 -11.777 6.432 1.00 0.00 H new ATOM 888 N GLN A 55 -0.118 -11.421 4.179 1.00 0.00 N ATOM 889 CA GLN A 55 -0.262 -12.318 3.040 1.00 0.00 C ATOM 890 C GLN A 55 1.022 -13.093 2.767 1.00 0.00 C ATOM 891 O GLN A 55 1.017 -14.085 2.037 1.00 0.00 O ATOM 892 CB GLN A 55 -0.680 -11.533 1.786 1.00 0.00 C ATOM 893 CG GLN A 55 -2.174 -11.213 1.697 1.00 0.00 C ATOM 894 CD GLN A 55 -2.651 -10.167 2.697 1.00 0.00 C ATOM 895 OE1 GLN A 55 -3.782 -10.218 3.161 1.00 0.00 O ATOM 896 NE2 GLN A 55 -1.807 -9.200 3.015 1.00 0.00 N ATOM 0 H GLN A 55 0.139 -10.465 3.933 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.042 -13.038 3.288 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -0.120 -10.598 1.756 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.392 -12.105 0.904 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.400 -10.865 0.689 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.740 -12.131 1.851 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -0.871 -9.187 2.610 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -2.092 -8.467 3.665 1.00 0.00 H new ATOM 905 N GLY A 56 2.122 -12.645 3.355 1.00 0.00 N ATOM 906 CA GLY A 56 3.408 -13.315 3.165 1.00 0.00 C ATOM 907 C GLY A 56 3.874 -13.298 1.715 1.00 0.00 C ATOM 908 O GLY A 56 4.673 -14.135 1.294 1.00 0.00 O ATOM 0 H GLY A 56 2.154 -11.827 3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 56 4.160 -12.832 3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 56 3.328 -14.348 3.504 1.00 0.00 H new ATOM 912 N VAL A 57 3.382 -12.343 0.948 1.00 0.00 N ATOM 913 CA VAL A 57 3.725 -12.240 -0.461 1.00 0.00 C ATOM 914 C VAL A 57 4.729 -11.114 -0.702 1.00 0.00 C ATOM 915 O VAL A 57 4.802 -10.163 0.080 1.00 0.00 O ATOM 916 CB VAL A 57 2.463 -12.025 -1.339 1.00 0.00 C ATOM 917 CG1 VAL A 57 1.597 -13.274 -1.340 1.00 0.00 C ATOM 918 CG2 VAL A 57 1.660 -10.830 -0.855 1.00 0.00 C ATOM 0 H VAL A 57 2.740 -11.623 1.278 1.00 0.00 H new ATOM 0 HA VAL A 57 4.185 -13.185 -0.750 1.00 0.00 H new ATOM 0 HB VAL A 57 2.792 -11.825 -2.359 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.717 -13.106 -1.960 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.168 -14.112 -1.740 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.285 -13.501 -0.321 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.781 -10.702 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.345 -10.997 0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 57 2.277 -9.933 -0.905 1.00 0.00 H new ATOM 928 N PRO A 58 5.531 -11.223 -1.778 1.00 0.00 N ATOM 929 CA PRO A 58 6.542 -10.217 -2.118 1.00 0.00 C ATOM 930 C PRO A 58 5.921 -8.880 -2.528 1.00 0.00 C ATOM 931 O PRO A 58 5.380 -8.734 -3.618 1.00 0.00 O ATOM 932 CB PRO A 58 7.295 -10.845 -3.295 1.00 0.00 C ATOM 933 CG PRO A 58 6.335 -11.817 -3.886 1.00 0.00 C ATOM 934 CD PRO A 58 5.525 -12.343 -2.739 1.00 0.00 C ATOM 0 HA PRO A 58 7.181 -9.982 -1.267 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.592 -10.090 -4.023 1.00 0.00 H new ATOM 0 HB3 PRO A 58 8.206 -11.342 -2.962 1.00 0.00 H new ATOM 0 HG2 PRO A 58 5.697 -11.335 -4.626 1.00 0.00 H new ATOM 0 HG3 PRO A 58 6.861 -12.624 -4.396 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.512 -12.603 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 58 5.969 -13.242 -2.312 1.00 0.00 H new ATOM 942 N MET A 59 6.007 -7.905 -1.641 1.00 0.00 N ATOM 943 CA MET A 59 5.434 -6.579 -1.864 1.00 0.00 C ATOM 944 C MET A 59 6.211 -5.761 -2.892 1.00 0.00 C ATOM 945 O MET A 59 5.784 -4.676 -3.282 1.00 0.00 O ATOM 946 CB MET A 59 5.323 -5.821 -0.547 1.00 0.00 C ATOM 947 CG MET A 59 3.895 -5.656 -0.028 1.00 0.00 C ATOM 948 SD MET A 59 2.998 -7.212 0.197 1.00 0.00 S ATOM 949 CE MET A 59 2.301 -7.480 -1.431 1.00 0.00 C ATOM 0 H MET A 59 6.477 -8.005 -0.741 1.00 0.00 H new ATOM 0 HA MET A 59 4.437 -6.731 -2.277 1.00 0.00 H new ATOM 0 HB2 MET A 59 5.912 -6.342 0.208 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.767 -4.833 -0.673 1.00 0.00 H new ATOM 0 HG2 MET A 59 3.926 -5.127 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.339 -5.027 -0.723 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.345 -7.995 -1.337 1.00 0.00 H new ATOM 0 HE2 MET A 59 2.149 -6.520 -1.924 1.00 0.00 H new ATOM 0 HE3 MET A 59 2.984 -8.089 -2.024 1.00 0.00 H new ATOM 959 N ASN A 60 7.358 -6.255 -3.306 1.00 0.00 N ATOM 960 CA ASN A 60 8.191 -5.541 -4.268 1.00 0.00 C ATOM 961 C ASN A 60 7.914 -5.984 -5.704 1.00 0.00 C ATOM 962 O ASN A 60 8.003 -5.183 -6.638 1.00 0.00 O ATOM 963 CB ASN A 60 9.662 -5.718 -3.922 1.00 0.00 C ATOM 964 CG ASN A 60 10.033 -4.964 -2.661 1.00 0.00 C ATOM 965 OD1 ASN A 60 10.547 -3.852 -2.719 1.00 0.00 O ATOM 966 ND2 ASN A 60 9.733 -5.546 -1.513 1.00 0.00 N ATOM 0 H ASN A 60 7.741 -7.148 -2.995 1.00 0.00 H new ATOM 0 HA ASN A 60 7.937 -4.483 -4.205 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.880 -6.778 -3.791 1.00 0.00 H new ATOM 0 HB3 ASN A 60 10.276 -5.366 -4.751 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.928 -5.069 -0.633 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.306 -6.472 -1.507 1.00 0.00 H new ATOM 973 N SER A 61 7.617 -7.273 -5.883 1.00 0.00 N ATOM 974 CA SER A 61 7.276 -7.827 -7.201 1.00 0.00 C ATOM 975 C SER A 61 6.081 -7.090 -7.832 1.00 0.00 C ATOM 976 O SER A 61 5.950 -7.007 -9.056 1.00 0.00 O ATOM 977 CB SER A 61 6.967 -9.313 -7.067 1.00 0.00 C ATOM 978 OG SER A 61 7.998 -9.974 -6.358 1.00 0.00 O ATOM 0 H SER A 61 7.605 -7.959 -5.128 1.00 0.00 H new ATOM 0 HA SER A 61 8.133 -7.690 -7.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 6.018 -9.447 -6.548 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.856 -9.757 -8.056 1.00 0.00 H new ATOM 0 HG SER A 61 7.659 -10.822 -6.003 1.00 0.00 H new ATOM 984 N LEU A 62 5.207 -6.572 -7.000 1.00 0.00 N ATOM 985 CA LEU A 62 4.078 -5.812 -7.469 1.00 0.00 C ATOM 986 C LEU A 62 4.151 -4.381 -6.961 1.00 0.00 C ATOM 987 O LEU A 62 4.916 -4.071 -6.045 1.00 0.00 O ATOM 988 CB LEU A 62 2.716 -6.481 -7.110 1.00 0.00 C ATOM 989 CG LEU A 62 2.554 -7.155 -5.731 1.00 0.00 C ATOM 990 CD1 LEU A 62 3.231 -8.513 -5.698 1.00 0.00 C ATOM 991 CD2 LEU A 62 3.055 -6.261 -4.610 1.00 0.00 C ATOM 0 H LEU A 62 5.260 -6.666 -5.986 1.00 0.00 H new ATOM 0 HA LEU A 62 4.128 -5.793 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.942 -5.718 -7.197 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.508 -7.234 -7.871 1.00 0.00 H new ATOM 0 HG LEU A 62 1.488 -7.313 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.099 -8.962 -4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.786 -9.160 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.295 -8.394 -5.903 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.925 -6.769 -3.654 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.112 -6.042 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.488 -5.330 -4.606 1.00 0.00 H new ATOM 1003 N ARG A 63 3.375 -3.503 -7.546 1.00 0.00 N ATOM 1004 CA ARG A 63 3.380 -2.120 -7.130 1.00 0.00 C ATOM 1005 C ARG A 63 2.004 -1.686 -6.685 1.00 0.00 C ATOM 1006 O ARG A 63 0.996 -2.289 -7.053 1.00 0.00 O ATOM 1007 CB ARG A 63 3.907 -1.180 -8.228 1.00 0.00 C ATOM 1008 CG ARG A 63 3.020 -1.051 -9.463 1.00 0.00 C ATOM 1009 CD ARG A 63 3.282 -2.139 -10.483 1.00 0.00 C ATOM 1010 NE ARG A 63 2.580 -1.866 -11.741 1.00 0.00 N ATOM 1011 CZ ARG A 63 3.170 -1.448 -12.868 1.00 0.00 C ATOM 1012 NH1 ARG A 63 4.485 -1.266 -12.911 1.00 0.00 N ATOM 1013 NH2 ARG A 63 2.438 -1.215 -13.948 1.00 0.00 N ATOM 0 H ARG A 63 2.733 -3.719 -8.309 1.00 0.00 H new ATOM 0 HA ARG A 63 4.064 -2.049 -6.285 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.047 -0.189 -7.797 1.00 0.00 H new ATOM 0 HB3 ARG A 63 4.889 -1.532 -8.543 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.974 -1.086 -9.160 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.185 -0.078 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 63 4.353 -2.215 -10.670 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.959 -3.101 -10.084 1.00 0.00 H new ATOM 0 HE ARG A 63 1.570 -2.004 -11.759 1.00 0.00 H new ATOM 0 HH11 ARG A 63 5.052 -1.445 -12.082 1.00 0.00 H new ATOM 0 HH12 ARG A 63 4.928 -0.947 -13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.428 -1.354 -13.919 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.885 -0.896 -14.808 1.00 0.00 H new ATOM 1027 N PHE A 64 1.959 -0.621 -5.916 1.00 0.00 N ATOM 1028 CA PHE A 64 0.716 -0.113 -5.385 1.00 0.00 C ATOM 1029 C PHE A 64 0.338 1.160 -6.109 1.00 0.00 C ATOM 1030 O PHE A 64 1.054 2.167 -6.045 1.00 0.00 O ATOM 1031 CB PHE A 64 0.831 0.137 -3.875 1.00 0.00 C ATOM 1032 CG PHE A 64 0.913 -1.122 -3.040 1.00 0.00 C ATOM 1033 CD1 PHE A 64 1.940 -2.037 -3.226 1.00 0.00 C ATOM 1034 CD2 PHE A 64 -0.032 -1.382 -2.064 1.00 0.00 C ATOM 1035 CE1 PHE A 64 2.021 -3.181 -2.457 1.00 0.00 C ATOM 1036 CE2 PHE A 64 0.044 -2.527 -1.291 1.00 0.00 C ATOM 1037 CZ PHE A 64 1.072 -3.427 -1.490 1.00 0.00 C ATOM 0 H PHE A 64 2.782 -0.084 -5.642 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.065 -0.857 -5.542 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.717 0.743 -3.685 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.030 0.720 -3.548 1.00 0.00 H new ATOM 0 HD1 PHE A 64 2.687 -1.851 -3.984 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.839 -0.683 -1.903 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.828 -3.882 -2.614 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.701 -2.717 -0.532 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.132 -4.322 -0.889 1.00 0.00 H new ATOM 1047 N LEU A 65 -0.768 1.114 -6.811 1.00 0.00 N ATOM 1048 CA LEU A 65 -1.226 2.239 -7.588 1.00 0.00 C ATOM 1049 C LEU A 65 -2.631 2.621 -7.189 1.00 0.00 C ATOM 1050 O LEU A 65 -3.488 1.772 -6.959 1.00 0.00 O ATOM 1051 CB LEU A 65 -1.185 1.925 -9.089 1.00 0.00 C ATOM 1052 CG LEU A 65 0.142 1.374 -9.634 1.00 0.00 C ATOM 1053 CD1 LEU A 65 0.046 1.131 -11.129 1.00 0.00 C ATOM 1054 CD2 LEU A 65 1.289 2.319 -9.326 1.00 0.00 C ATOM 0 H LEU A 65 -1.375 0.296 -6.860 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.556 3.075 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.971 1.203 -9.309 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.427 2.836 -9.636 1.00 0.00 H new ATOM 0 HG LEU A 65 0.340 0.423 -9.139 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.995 0.741 -11.496 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -0.745 0.409 -11.330 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.181 2.069 -11.636 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.217 1.906 -9.722 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.096 3.287 -9.788 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.379 2.443 -8.247 1.00 0.00 H new ATOM 1066 N PHE A 66 -2.866 3.891 -7.100 1.00 0.00 N ATOM 1067 CA PHE A 66 -4.166 4.401 -6.754 1.00 0.00 C ATOM 1068 C PHE A 66 -4.735 5.160 -7.918 1.00 0.00 C ATOM 1069 O PHE A 66 -4.298 6.257 -8.205 1.00 0.00 O ATOM 1070 CB PHE A 66 -4.079 5.308 -5.523 1.00 0.00 C ATOM 1071 CG PHE A 66 -5.341 6.078 -5.237 1.00 0.00 C ATOM 1072 CD1 PHE A 66 -6.583 5.466 -5.318 1.00 0.00 C ATOM 1073 CD2 PHE A 66 -5.280 7.417 -4.893 1.00 0.00 C ATOM 1074 CE1 PHE A 66 -7.732 6.173 -5.063 1.00 0.00 C ATOM 1075 CE2 PHE A 66 -6.429 8.132 -4.633 1.00 0.00 C ATOM 1076 CZ PHE A 66 -7.658 7.511 -4.719 1.00 0.00 C ATOM 0 H PHE A 66 -2.163 4.611 -7.265 1.00 0.00 H new ATOM 0 HA PHE A 66 -4.821 3.563 -6.515 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -3.832 4.699 -4.653 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -3.259 6.013 -5.661 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.647 4.421 -5.585 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -4.320 7.908 -4.827 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.693 5.685 -5.131 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -6.368 9.176 -4.363 1.00 0.00 H new ATOM 0 HZ PHE A 66 -8.561 8.069 -4.518 1.00 0.00 H new ATOM 1086 N GLU A 67 -5.692 4.549 -8.614 1.00 0.00 N ATOM 1087 CA GLU A 67 -6.371 5.164 -9.772 1.00 0.00 C ATOM 1088 C GLU A 67 -5.377 5.825 -10.763 1.00 0.00 C ATOM 1089 O GLU A 67 -5.702 6.809 -11.431 1.00 0.00 O ATOM 1090 CB GLU A 67 -7.442 6.180 -9.302 1.00 0.00 C ATOM 1091 CG GLU A 67 -6.889 7.440 -8.653 1.00 0.00 C ATOM 1092 CD GLU A 67 -7.933 8.505 -8.477 1.00 0.00 C ATOM 1093 OE1 GLU A 67 -8.819 8.343 -7.612 1.00 0.00 O ATOM 1094 OE2 GLU A 67 -7.890 9.509 -9.216 1.00 0.00 O ATOM 0 H GLU A 67 -6.025 3.610 -8.396 1.00 0.00 H new ATOM 0 HA GLU A 67 -6.866 4.359 -10.315 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.050 6.468 -10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.105 5.685 -8.593 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.465 7.188 -7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.075 7.831 -9.263 1.00 0.00 H new ATOM 1101 N GLY A 68 -4.179 5.255 -10.879 1.00 0.00 N ATOM 1102 CA GLY A 68 -3.169 5.806 -11.772 1.00 0.00 C ATOM 1103 C GLY A 68 -2.048 6.535 -11.032 1.00 0.00 C ATOM 1104 O GLY A 68 -1.134 7.089 -11.650 1.00 0.00 O ATOM 0 H GLY A 68 -3.888 4.420 -10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -2.739 5.000 -12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -3.646 6.496 -12.468 1.00 0.00 H new ATOM 1108 N GLN A 69 -2.111 6.536 -9.709 1.00 0.00 N ATOM 1109 CA GLN A 69 -1.098 7.167 -8.878 1.00 0.00 C ATOM 1110 C GLN A 69 -0.099 6.127 -8.445 1.00 0.00 C ATOM 1111 O GLN A 69 -0.480 5.055 -8.002 1.00 0.00 O ATOM 1112 CB GLN A 69 -1.748 7.783 -7.632 1.00 0.00 C ATOM 1113 CG GLN A 69 -2.667 8.959 -7.912 1.00 0.00 C ATOM 1114 CD GLN A 69 -1.950 10.296 -7.901 1.00 0.00 C ATOM 1115 OE1 GLN A 69 -2.541 11.321 -7.581 1.00 0.00 O ATOM 1116 NE2 GLN A 69 -0.671 10.299 -8.229 1.00 0.00 N ATOM 0 H GLN A 69 -2.867 6.099 -9.181 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.603 7.951 -9.451 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -2.317 7.010 -7.116 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.961 8.108 -6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.142 8.817 -8.883 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.463 8.975 -7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -0.210 9.428 -8.490 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.144 11.173 -8.221 1.00 0.00 H new ATOM 1125 N ARG A 70 1.168 6.415 -8.581 1.00 0.00 N ATOM 1126 CA ARG A 70 2.188 5.484 -8.166 1.00 0.00 C ATOM 1127 C ARG A 70 2.638 5.779 -6.756 1.00 0.00 C ATOM 1128 O ARG A 70 3.021 6.905 -6.419 1.00 0.00 O ATOM 1129 CB ARG A 70 3.379 5.455 -9.142 1.00 0.00 C ATOM 1130 CG ARG A 70 3.810 6.809 -9.675 1.00 0.00 C ATOM 1131 CD ARG A 70 3.006 7.187 -10.917 1.00 0.00 C ATOM 1132 NE ARG A 70 3.264 8.556 -11.356 1.00 0.00 N ATOM 1133 CZ ARG A 70 2.529 9.200 -12.265 1.00 0.00 C ATOM 1134 NH1 ARG A 70 1.518 8.583 -12.871 1.00 0.00 N ATOM 1135 NH2 ARG A 70 2.815 10.457 -12.576 1.00 0.00 N ATOM 0 H ARG A 70 1.521 7.287 -8.976 1.00 0.00 H new ATOM 0 HA ARG A 70 1.747 4.487 -8.181 1.00 0.00 H new ATOM 0 HB2 ARG A 70 4.229 4.993 -8.640 1.00 0.00 H new ATOM 0 HB3 ARG A 70 3.121 4.815 -9.986 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.674 7.568 -8.904 1.00 0.00 H new ATOM 0 HG3 ARG A 70 4.872 6.787 -9.917 1.00 0.00 H new ATOM 0 HD2 ARG A 70 3.248 6.498 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 70 1.943 7.071 -10.707 1.00 0.00 H new ATOM 0 HE ARG A 70 4.055 9.050 -10.942 1.00 0.00 H new ATOM 0 HH11 ARG A 70 1.301 7.613 -12.642 1.00 0.00 H new ATOM 0 HH12 ARG A 70 0.960 9.080 -13.565 1.00 0.00 H new ATOM 0 HH21 ARG A 70 3.596 10.930 -12.121 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.254 10.951 -13.270 1.00 0.00 H new ATOM 1149 N ILE A 71 2.565 4.777 -5.920 1.00 0.00 N ATOM 1150 CA ILE A 71 2.929 4.915 -4.535 1.00 0.00 C ATOM 1151 C ILE A 71 4.182 4.095 -4.224 1.00 0.00 C ATOM 1152 O ILE A 71 4.112 2.875 -3.988 1.00 0.00 O ATOM 1153 CB ILE A 71 1.772 4.474 -3.582 1.00 0.00 C ATOM 1154 CG1 ILE A 71 0.559 5.427 -3.676 1.00 0.00 C ATOM 1155 CG2 ILE A 71 2.259 4.383 -2.143 1.00 0.00 C ATOM 1156 CD1 ILE A 71 -0.311 5.229 -4.905 1.00 0.00 C ATOM 0 H ILE A 71 2.251 3.842 -6.180 1.00 0.00 H new ATOM 0 HA ILE A 71 3.130 5.972 -4.362 1.00 0.00 H new ATOM 0 HB ILE A 71 1.447 3.485 -3.906 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.058 5.297 -2.787 1.00 0.00 H new ATOM 0 HG13 ILE A 71 0.921 6.455 -3.666 1.00 0.00 H new ATOM 0 HG21 ILE A 71 1.436 4.074 -1.499 1.00 0.00 H new ATOM 0 HG22 ILE A 71 3.065 3.652 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 71 2.626 5.357 -1.821 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.136 5.941 -4.885 1.00 0.00 H new ATOM 0 HD12 ILE A 71 0.286 5.390 -5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.708 4.214 -4.910 1.00 0.00 H new ATOM 1168 N ALA A 72 5.332 4.740 -4.231 1.00 0.00 N ATOM 1169 CA ALA A 72 6.561 4.049 -3.933 1.00 0.00 C ATOM 1170 C ALA A 72 6.985 4.282 -2.487 1.00 0.00 C ATOM 1171 O ALA A 72 7.892 5.059 -2.201 1.00 0.00 O ATOM 1172 CB ALA A 72 7.664 4.471 -4.894 1.00 0.00 C ATOM 0 H ALA A 72 5.436 5.733 -4.438 1.00 0.00 H new ATOM 0 HA ALA A 72 6.385 2.981 -4.063 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.583 3.937 -4.651 1.00 0.00 H new ATOM 0 HB2 ALA A 72 7.367 4.235 -5.916 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.834 5.544 -4.805 1.00 0.00 H new ATOM 1178 N ASP A 73 6.291 3.596 -1.581 1.00 0.00 N ATOM 1179 CA ASP A 73 6.591 3.560 -0.129 1.00 0.00 C ATOM 1180 C ASP A 73 6.814 4.936 0.525 1.00 0.00 C ATOM 1181 O ASP A 73 7.402 5.022 1.597 1.00 0.00 O ATOM 1182 CB ASP A 73 7.798 2.660 0.129 1.00 0.00 C ATOM 1183 CG ASP A 73 7.605 1.278 -0.440 1.00 0.00 C ATOM 1184 OD1 ASP A 73 6.476 0.758 -0.360 1.00 0.00 O ATOM 1185 OD2 ASP A 73 8.578 0.711 -0.981 1.00 0.00 O ATOM 0 H ASP A 73 5.480 3.030 -1.831 1.00 0.00 H new ATOM 0 HA ASP A 73 5.694 3.158 0.343 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.687 3.112 -0.310 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.974 2.589 1.202 1.00 0.00 H new ATOM 1190 N ASN A 74 6.316 6.004 -0.074 1.00 0.00 N ATOM 1191 CA ASN A 74 6.520 7.331 0.503 1.00 0.00 C ATOM 1192 C ASN A 74 5.346 8.251 0.250 1.00 0.00 C ATOM 1193 O ASN A 74 5.185 9.265 0.927 1.00 0.00 O ATOM 1194 CB ASN A 74 7.842 7.963 0.033 1.00 0.00 C ATOM 1195 CG ASN A 74 7.943 8.137 -1.463 1.00 0.00 C ATOM 1196 OD1 ASN A 74 6.975 8.467 -2.142 1.00 0.00 O ATOM 1197 ND2 ASN A 74 9.110 7.902 -1.989 1.00 0.00 N ATOM 0 H ASN A 74 5.778 5.986 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 74 6.590 7.193 1.582 1.00 0.00 H new ATOM 0 HB2 ASN A 74 7.957 8.936 0.510 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.671 7.342 0.373 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.242 7.990 -2.997 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.892 7.630 -1.394 1.00 0.00 H new ATOM 1204 N HIS A 75 4.517 7.908 -0.732 1.00 0.00 N ATOM 1205 CA HIS A 75 3.321 8.681 -1.008 1.00 0.00 C ATOM 1206 C HIS A 75 2.414 8.677 0.214 1.00 0.00 C ATOM 1207 O HIS A 75 2.369 7.701 0.968 1.00 0.00 O ATOM 1208 CB HIS A 75 2.572 8.120 -2.218 1.00 0.00 C ATOM 1209 CG HIS A 75 2.238 9.159 -3.246 1.00 0.00 C ATOM 1210 ND1 HIS A 75 2.537 9.027 -4.584 1.00 0.00 N ATOM 1211 CD2 HIS A 75 1.621 10.354 -3.123 1.00 0.00 C ATOM 1212 CE1 HIS A 75 2.123 10.097 -5.232 1.00 0.00 C ATOM 1213 NE2 HIS A 75 1.564 10.915 -4.370 1.00 0.00 N ATOM 0 H HIS A 75 4.654 7.104 -1.344 1.00 0.00 H new ATOM 0 HA HIS A 75 3.617 9.705 -1.237 1.00 0.00 H new ATOM 0 HB2 HIS A 75 3.178 7.342 -2.682 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.651 7.646 -1.878 1.00 0.00 H new ATOM 0 HD1 HIS A 75 3.006 8.226 -5.007 1.00 0.00 H new ATOM 0 HD2 HIS A 75 1.242 10.787 -2.209 1.00 0.00 H new ATOM 0 HE1 HIS A 75 2.226 10.272 -6.293 1.00 0.00 H new ATOM 1222 N THR A 76 1.704 9.756 0.413 1.00 0.00 N ATOM 1223 CA THR A 76 0.850 9.903 1.574 1.00 0.00 C ATOM 1224 C THR A 76 -0.620 10.002 1.165 1.00 0.00 C ATOM 1225 O THR A 76 -0.932 10.429 0.048 1.00 0.00 O ATOM 1226 CB THR A 76 1.238 11.163 2.372 1.00 0.00 C ATOM 1227 OG1 THR A 76 1.173 12.307 1.520 1.00 0.00 O ATOM 1228 CG2 THR A 76 2.644 11.039 2.930 1.00 0.00 C ATOM 0 H THR A 76 1.697 10.557 -0.218 1.00 0.00 H new ATOM 0 HA THR A 76 0.986 9.019 2.198 1.00 0.00 H new ATOM 0 HB THR A 76 0.539 11.272 3.201 1.00 0.00 H new ATOM 0 HG1 THR A 76 1.705 13.033 1.907 1.00 0.00 H new ATOM 0 HG21 THR A 76 2.894 11.941 3.489 1.00 0.00 H new ATOM 0 HG22 THR A 76 2.698 10.175 3.592 1.00 0.00 H new ATOM 0 HG23 THR A 76 3.351 10.912 2.110 1.00 0.00 H new ATOM 1236 N PRO A 77 -1.547 9.614 2.069 1.00 0.00 N ATOM 1237 CA PRO A 77 -2.993 9.683 1.809 1.00 0.00 C ATOM 1238 C PRO A 77 -3.462 11.117 1.576 1.00 0.00 C ATOM 1239 O PRO A 77 -4.428 11.365 0.848 1.00 0.00 O ATOM 1240 CB PRO A 77 -3.625 9.115 3.096 1.00 0.00 C ATOM 1241 CG PRO A 77 -2.557 9.209 4.131 1.00 0.00 C ATOM 1242 CD PRO A 77 -1.254 9.065 3.405 1.00 0.00 C ATOM 0 HA PRO A 77 -3.272 9.134 0.910 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -4.506 9.686 3.387 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.946 8.083 2.955 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.607 10.163 4.655 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -2.673 8.427 4.881 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.455 9.617 3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.937 8.024 3.351 1.00 0.00 H new ATOM 1250 N LYS A 78 -2.746 12.063 2.169 1.00 0.00 N ATOM 1251 CA LYS A 78 -3.080 13.479 2.054 1.00 0.00 C ATOM 1252 C LYS A 78 -2.712 13.991 0.665 1.00 0.00 C ATOM 1253 O LYS A 78 -3.397 14.829 0.089 1.00 0.00 O ATOM 1254 CB LYS A 78 -2.323 14.298 3.120 1.00 0.00 C ATOM 1255 CG LYS A 78 -0.807 14.192 2.995 1.00 0.00 C ATOM 1256 CD LYS A 78 -0.084 15.363 3.636 1.00 0.00 C ATOM 1257 CE LYS A 78 1.413 15.284 3.367 1.00 0.00 C ATOM 1258 NZ LYS A 78 2.150 16.421 3.967 1.00 0.00 N ATOM 0 H LYS A 78 -1.922 11.874 2.740 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.152 13.595 2.211 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -2.615 15.345 3.040 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.624 13.958 4.111 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -0.472 13.265 3.460 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -0.536 14.136 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.480 16.300 3.244 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.266 15.365 4.711 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.803 14.348 3.767 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.587 15.268 2.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 3.164 16.326 3.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.797 17.314 3.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 2.007 16.423 4.997 1.00 0.00 H new ATOM 1272 N GLU A 79 -1.631 13.455 0.127 1.00 0.00 N ATOM 1273 CA GLU A 79 -1.116 13.863 -1.161 1.00 0.00 C ATOM 1274 C GLU A 79 -1.949 13.262 -2.280 1.00 0.00 C ATOM 1275 O GLU A 79 -2.172 13.881 -3.321 1.00 0.00 O ATOM 1276 CB GLU A 79 0.324 13.384 -1.290 1.00 0.00 C ATOM 1277 CG GLU A 79 1.030 13.846 -2.544 1.00 0.00 C ATOM 1278 CD GLU A 79 1.665 15.203 -2.380 1.00 0.00 C ATOM 1279 OE1 GLU A 79 0.950 16.207 -2.443 1.00 0.00 O ATOM 1280 OE2 GLU A 79 2.897 15.262 -2.180 1.00 0.00 O ATOM 0 H GLU A 79 -1.085 12.720 0.577 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.161 14.949 -1.237 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.887 13.730 -0.423 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.335 12.294 -1.263 1.00 0.00 H new ATOM 0 HG2 GLU A 79 1.796 13.120 -2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 79 0.317 13.879 -3.368 1.00 0.00 H new ATOM 1287 N LEU A 80 -2.413 12.045 -2.060 1.00 0.00 N ATOM 1288 CA LEU A 80 -3.180 11.326 -3.062 1.00 0.00 C ATOM 1289 C LEU A 80 -4.603 11.842 -3.154 1.00 0.00 C ATOM 1290 O LEU A 80 -5.308 11.557 -4.118 1.00 0.00 O ATOM 1291 CB LEU A 80 -3.204 9.849 -2.720 1.00 0.00 C ATOM 1292 CG LEU A 80 -1.852 9.156 -2.700 1.00 0.00 C ATOM 1293 CD1 LEU A 80 -1.944 7.877 -1.910 1.00 0.00 C ATOM 1294 CD2 LEU A 80 -1.373 8.874 -4.118 1.00 0.00 C ATOM 0 H LEU A 80 -2.271 11.531 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 80 -2.699 11.483 -4.027 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.668 9.729 -1.741 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.843 9.338 -3.440 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.127 9.815 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.971 7.385 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.248 8.102 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.679 7.217 -2.370 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.403 8.378 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.092 8.230 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.280 9.813 -4.664 1.00 0.00 H new ATOM 1306 N GLY A 81 -5.040 12.607 -2.159 1.00 0.00 N ATOM 1307 CA GLY A 81 -6.374 13.148 -2.223 1.00 0.00 C ATOM 1308 C GLY A 81 -7.439 12.113 -1.913 1.00 0.00 C ATOM 1309 O GLY A 81 -8.602 12.294 -2.264 1.00 0.00 O ATOM 0 H GLY A 81 -4.503 12.855 -1.328 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -6.461 13.975 -1.519 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -6.549 13.557 -3.218 1.00 0.00 H new ATOM 1313 N MET A 82 -7.065 11.018 -1.256 1.00 0.00 N ATOM 1314 CA MET A 82 -8.012 9.928 -1.050 1.00 0.00 C ATOM 1315 C MET A 82 -8.691 10.048 0.312 1.00 0.00 C ATOM 1316 O MET A 82 -8.292 10.862 1.153 1.00 0.00 O ATOM 1317 CB MET A 82 -7.336 8.559 -1.224 1.00 0.00 C ATOM 1318 CG MET A 82 -6.268 8.222 -0.198 1.00 0.00 C ATOM 1319 SD MET A 82 -5.396 6.697 -0.618 1.00 0.00 S ATOM 1320 CE MET A 82 -4.441 6.408 0.862 1.00 0.00 C ATOM 0 H MET A 82 -6.135 10.864 -0.866 1.00 0.00 H new ATOM 0 HA MET A 82 -8.785 10.006 -1.815 1.00 0.00 H new ATOM 0 HB2 MET A 82 -8.105 7.787 -1.190 1.00 0.00 H new ATOM 0 HB3 MET A 82 -6.887 8.518 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 82 -5.554 9.043 -0.133 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.727 8.120 0.785 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.248 5.341 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 82 -3.494 6.943 0.794 1.00 0.00 H new ATOM 0 HE3 MET A 82 -4.997 6.763 1.729 1.00 0.00 H new ATOM 1330 N GLU A 83 -9.719 9.248 0.535 1.00 0.00 N ATOM 1331 CA GLU A 83 -10.492 9.322 1.766 1.00 0.00 C ATOM 1332 C GLU A 83 -10.501 7.963 2.474 1.00 0.00 C ATOM 1333 O GLU A 83 -9.952 6.990 1.969 1.00 0.00 O ATOM 1334 CB GLU A 83 -11.924 9.775 1.428 1.00 0.00 C ATOM 1335 CG GLU A 83 -12.758 10.194 2.622 1.00 0.00 C ATOM 1336 CD GLU A 83 -12.033 11.166 3.514 1.00 0.00 C ATOM 1337 OE1 GLU A 83 -11.819 12.322 3.093 1.00 0.00 O ATOM 1338 OE2 GLU A 83 -11.680 10.780 4.641 1.00 0.00 O ATOM 0 H GLU A 83 -10.040 8.537 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.037 10.045 2.444 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -11.870 10.610 0.730 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.435 8.961 0.913 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -13.686 10.647 2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -13.032 9.311 3.199 1.00 0.00 H new ATOM 1345 N GLU A 84 -11.109 7.895 3.654 1.00 0.00 N ATOM 1346 CA GLU A 84 -11.198 6.641 4.378 1.00 0.00 C ATOM 1347 C GLU A 84 -12.174 5.714 3.676 1.00 0.00 C ATOM 1348 O GLU A 84 -13.187 6.166 3.139 1.00 0.00 O ATOM 1349 CB GLU A 84 -11.618 6.865 5.841 1.00 0.00 C ATOM 1350 CG GLU A 84 -13.070 7.248 6.052 1.00 0.00 C ATOM 1351 CD GLU A 84 -13.848 6.146 6.734 1.00 0.00 C ATOM 1352 OE1 GLU A 84 -13.652 5.937 7.953 1.00 0.00 O ATOM 1353 OE2 GLU A 84 -14.648 5.474 6.064 1.00 0.00 O ATOM 0 H GLU A 84 -11.543 8.690 4.123 1.00 0.00 H new ATOM 0 HA GLU A 84 -10.211 6.180 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.416 5.953 6.403 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.989 7.647 6.266 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -13.123 8.156 6.653 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -13.529 7.476 5.090 1.00 0.00 H new ATOM 1360 N GLU A 85 -11.821 4.430 3.617 1.00 0.00 N ATOM 1361 CA GLU A 85 -12.631 3.384 3.002 1.00 0.00 C ATOM 1362 C GLU A 85 -12.363 3.384 1.505 1.00 0.00 C ATOM 1363 O GLU A 85 -13.167 2.915 0.693 1.00 0.00 O ATOM 1364 CB GLU A 85 -14.129 3.548 3.333 1.00 0.00 C ATOM 1365 CG GLU A 85 -14.983 2.328 3.035 1.00 0.00 C ATOM 1366 CD GLU A 85 -16.406 2.503 3.505 1.00 0.00 C ATOM 1367 OE1 GLU A 85 -17.208 3.118 2.773 1.00 0.00 O ATOM 1368 OE2 GLU A 85 -16.730 2.034 4.615 1.00 0.00 O ATOM 0 H GLU A 85 -10.944 4.083 4.005 1.00 0.00 H new ATOM 0 HA GLU A 85 -12.349 2.414 3.412 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -14.228 3.795 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -14.521 4.395 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.977 2.135 1.962 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -14.547 1.454 3.518 1.00 0.00 H new ATOM 1375 N ASP A 86 -11.187 3.900 1.142 1.00 0.00 N ATOM 1376 CA ASP A 86 -10.778 3.990 -0.247 1.00 0.00 C ATOM 1377 C ASP A 86 -10.200 2.674 -0.733 1.00 0.00 C ATOM 1378 O ASP A 86 -9.956 1.759 0.060 1.00 0.00 O ATOM 1379 CB ASP A 86 -9.747 5.081 -0.409 1.00 0.00 C ATOM 1380 CG ASP A 86 -10.063 5.978 -1.588 1.00 0.00 C ATOM 1381 OD1 ASP A 86 -9.975 5.509 -2.743 1.00 0.00 O ATOM 1382 OD2 ASP A 86 -10.441 7.155 -1.361 1.00 0.00 O ATOM 0 H ASP A 86 -10.501 4.263 1.803 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.659 4.223 -0.844 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -9.703 5.678 0.502 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.762 4.634 -0.545 1.00 0.00 H new ATOM 1387 N VAL A 87 -9.971 2.571 -2.032 1.00 0.00 N ATOM 1388 CA VAL A 87 -9.434 1.358 -2.610 1.00 0.00 C ATOM 1389 C VAL A 87 -8.155 1.624 -3.413 1.00 0.00 C ATOM 1390 O VAL A 87 -8.092 2.531 -4.249 1.00 0.00 O ATOM 1391 CB VAL A 87 -10.487 0.638 -3.501 1.00 0.00 C ATOM 1392 CG1 VAL A 87 -10.954 1.535 -4.639 1.00 0.00 C ATOM 1393 CG2 VAL A 87 -9.936 -0.677 -4.040 1.00 0.00 C ATOM 0 H VAL A 87 -10.150 3.317 -2.704 1.00 0.00 H new ATOM 0 HA VAL A 87 -9.179 0.702 -1.778 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.352 0.414 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -11.689 1.003 -5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -11.406 2.438 -4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -10.101 1.807 -5.261 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.691 -1.161 -4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -9.047 -0.481 -4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.676 -1.331 -3.208 1.00 0.00 H new ATOM 1403 N ILE A 88 -7.134 0.834 -3.143 1.00 0.00 N ATOM 1404 CA ILE A 88 -5.873 0.925 -3.850 1.00 0.00 C ATOM 1405 C ILE A 88 -5.682 -0.348 -4.661 1.00 0.00 C ATOM 1406 O ILE A 88 -6.149 -1.424 -4.267 1.00 0.00 O ATOM 1407 CB ILE A 88 -4.670 1.107 -2.890 1.00 0.00 C ATOM 1408 CG1 ILE A 88 -4.936 2.237 -1.877 1.00 0.00 C ATOM 1409 CG2 ILE A 88 -3.394 1.382 -3.679 1.00 0.00 C ATOM 1410 CD1 ILE A 88 -5.070 3.609 -2.494 1.00 0.00 C ATOM 0 H ILE A 88 -7.156 0.110 -2.425 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.908 1.803 -4.495 1.00 0.00 H new ATOM 0 HB ILE A 88 -4.539 0.180 -2.332 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -5.849 2.008 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -4.123 2.256 -1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.559 1.507 -2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -3.191 0.544 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -3.518 2.292 -4.267 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -5.256 4.344 -1.711 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -4.149 3.863 -3.019 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -5.902 3.612 -3.198 1.00 0.00 H new ATOM 1422 N GLU A 89 -5.007 -0.239 -5.776 1.00 0.00 N ATOM 1423 CA GLU A 89 -4.851 -1.349 -6.683 1.00 0.00 C ATOM 1424 C GLU A 89 -3.392 -1.795 -6.740 1.00 0.00 C ATOM 1425 O GLU A 89 -2.489 -0.980 -6.882 1.00 0.00 O ATOM 1426 CB GLU A 89 -5.337 -0.914 -8.057 1.00 0.00 C ATOM 1427 CG GLU A 89 -6.574 -0.030 -7.985 1.00 0.00 C ATOM 1428 CD GLU A 89 -7.053 0.436 -9.341 1.00 0.00 C ATOM 1429 OE1 GLU A 89 -7.569 -0.392 -10.120 1.00 0.00 O ATOM 1430 OE2 GLU A 89 -6.907 1.644 -9.642 1.00 0.00 O ATOM 0 H GLU A 89 -4.550 0.620 -6.082 1.00 0.00 H new ATOM 0 HA GLU A 89 -5.439 -2.199 -6.336 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.539 -0.375 -8.567 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -5.560 -1.797 -8.656 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -7.377 -0.579 -7.492 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.355 0.840 -7.365 1.00 0.00 H new ATOM 1437 N VAL A 90 -3.156 -3.084 -6.621 1.00 0.00 N ATOM 1438 CA VAL A 90 -1.801 -3.609 -6.643 1.00 0.00 C ATOM 1439 C VAL A 90 -1.565 -4.448 -7.886 1.00 0.00 C ATOM 1440 O VAL A 90 -2.095 -5.558 -8.030 1.00 0.00 O ATOM 1441 CB VAL A 90 -1.476 -4.437 -5.380 1.00 0.00 C ATOM 1442 CG1 VAL A 90 -0.060 -4.965 -5.438 1.00 0.00 C ATOM 1443 CG2 VAL A 90 -1.679 -3.607 -4.135 1.00 0.00 C ATOM 0 H VAL A 90 -3.883 -3.791 -6.508 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.131 -2.749 -6.659 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.158 -5.286 -5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 90 0.149 -5.545 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.056 -5.601 -6.316 1.00 0.00 H new ATOM 0 HG13 VAL A 90 0.637 -4.130 -5.501 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -1.445 -4.207 -3.256 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -1.022 -2.738 -4.166 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -2.716 -3.276 -4.083 1.00 0.00 H new ATOM 1453 N TYR A 91 -0.756 -3.925 -8.780 1.00 0.00 N ATOM 1454 CA TYR A 91 -0.481 -4.578 -10.044 1.00 0.00 C ATOM 1455 C TYR A 91 0.854 -5.281 -9.998 1.00 0.00 C ATOM 1456 O TYR A 91 1.818 -4.760 -9.445 1.00 0.00 O ATOM 1457 CB TYR A 91 -0.475 -3.551 -11.164 1.00 0.00 C ATOM 1458 CG TYR A 91 -1.776 -2.802 -11.315 1.00 0.00 C ATOM 1459 CD1 TYR A 91 -1.994 -1.623 -10.621 1.00 0.00 C ATOM 1460 CD2 TYR A 91 -2.779 -3.264 -12.154 1.00 0.00 C ATOM 1461 CE1 TYR A 91 -3.167 -0.922 -10.759 1.00 0.00 C ATOM 1462 CE2 TYR A 91 -3.964 -2.566 -12.294 1.00 0.00 C ATOM 1463 CZ TYR A 91 -4.148 -1.394 -11.594 1.00 0.00 C ATOM 1464 OH TYR A 91 -5.316 -0.687 -11.731 1.00 0.00 O ATOM 0 H TYR A 91 -0.270 -3.037 -8.654 1.00 0.00 H new ATOM 0 HA TYR A 91 -1.261 -5.316 -10.229 1.00 0.00 H new ATOM 0 HB2 TYR A 91 0.326 -2.835 -10.982 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -0.246 -4.054 -12.103 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -1.227 -1.248 -9.959 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -2.632 -4.181 -12.705 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.317 -0.003 -10.212 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -4.740 -2.937 -12.947 1.00 0.00 H new ATOM 0 HH TYR A 91 -5.908 -1.152 -12.358 1.00 0.00 H new ATOM 1474 N GLN A 92 0.920 -6.454 -10.587 1.00 0.00 N ATOM 1475 CA GLN A 92 2.141 -7.230 -10.608 1.00 0.00 C ATOM 1476 C GLN A 92 3.005 -6.747 -11.748 1.00 0.00 C ATOM 1477 O GLN A 92 2.612 -6.839 -12.915 1.00 0.00 O ATOM 1478 CB GLN A 92 1.820 -8.725 -10.765 1.00 0.00 C ATOM 1479 CG GLN A 92 2.869 -9.674 -10.179 1.00 0.00 C ATOM 1480 CD GLN A 92 4.208 -9.621 -10.889 1.00 0.00 C ATOM 1481 OE1 GLN A 92 4.284 -9.365 -12.092 1.00 0.00 O ATOM 1482 NE2 GLN A 92 5.270 -9.872 -10.155 1.00 0.00 N ATOM 0 H GLN A 92 0.133 -6.896 -11.063 1.00 0.00 H new ATOM 0 HA GLN A 92 2.677 -7.100 -9.668 1.00 0.00 H new ATOM 0 HB2 GLN A 92 0.861 -8.928 -10.288 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.702 -8.947 -11.826 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.017 -9.432 -9.127 1.00 0.00 H new ATOM 0 HG3 GLN A 92 2.486 -10.694 -10.221 1.00 0.00 H new ATOM 0 HE21 GLN A 92 5.166 -10.080 -9.162 1.00 0.00 H new ATOM 0 HE22 GLN A 92 6.198 -9.859 -10.579 1.00 0.00 H new ATOM 1491 N GLU A 93 4.177 -6.231 -11.418 1.00 0.00 N ATOM 1492 CA GLU A 93 5.092 -5.689 -12.400 1.00 0.00 C ATOM 1493 C GLU A 93 6.309 -5.152 -11.679 1.00 0.00 C ATOM 1494 O GLU A 93 6.197 -4.329 -10.763 1.00 0.00 O ATOM 1495 CB GLU A 93 4.399 -4.592 -13.206 1.00 0.00 C ATOM 1496 CG GLU A 93 4.888 -4.428 -14.640 1.00 0.00 C ATOM 1497 CD GLU A 93 6.301 -3.917 -14.767 1.00 0.00 C ATOM 1498 OE1 GLU A 93 6.542 -2.732 -14.458 1.00 0.00 O ATOM 1499 OE2 GLU A 93 7.175 -4.691 -15.217 1.00 0.00 O ATOM 0 H GLU A 93 4.519 -6.177 -10.458 1.00 0.00 H new ATOM 0 HA GLU A 93 5.405 -6.466 -13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.329 -4.800 -13.226 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.530 -3.644 -12.685 1.00 0.00 H new ATOM 0 HG2 GLU A 93 4.817 -5.391 -15.147 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.220 -3.743 -15.162 1.00 0.00 H new ATOM 1506 N GLN A 94 7.459 -5.619 -12.083 1.00 0.00 N ATOM 1507 CA GLN A 94 8.716 -5.278 -11.418 1.00 0.00 C ATOM 1508 C GLN A 94 9.067 -3.801 -11.564 1.00 0.00 C ATOM 1509 O GLN A 94 8.923 -3.206 -12.633 1.00 0.00 O ATOM 1510 CB GLN A 94 9.861 -6.155 -11.925 1.00 0.00 C ATOM 1511 CG GLN A 94 10.031 -6.146 -13.431 1.00 0.00 C ATOM 1512 CD GLN A 94 11.197 -6.990 -13.888 1.00 0.00 C ATOM 1513 OE1 GLN A 94 12.208 -7.107 -13.196 1.00 0.00 O ATOM 1514 NE2 GLN A 94 11.060 -7.597 -15.045 1.00 0.00 N ATOM 0 H GLN A 94 7.566 -6.247 -12.880 1.00 0.00 H new ATOM 0 HA GLN A 94 8.572 -5.473 -10.355 1.00 0.00 H new ATOM 0 HB2 GLN A 94 10.791 -5.822 -11.464 1.00 0.00 H new ATOM 0 HB3 GLN A 94 9.692 -7.180 -11.596 1.00 0.00 H new ATOM 0 HG2 GLN A 94 9.117 -6.512 -13.898 1.00 0.00 H new ATOM 0 HG3 GLN A 94 10.174 -5.120 -13.771 1.00 0.00 H new ATOM 0 HE21 GLN A 94 10.205 -7.473 -15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 94 11.808 -8.192 -15.401 1.00 0.00 H new ATOM 1523 N THR A 95 9.538 -3.213 -10.485 1.00 0.00 N ATOM 1524 CA THR A 95 9.901 -1.820 -10.472 1.00 0.00 C ATOM 1525 C THR A 95 11.342 -1.641 -10.921 1.00 0.00 C ATOM 1526 O THR A 95 12.176 -2.542 -10.759 1.00 0.00 O ATOM 1527 CB THR A 95 9.703 -1.216 -9.067 1.00 0.00 C ATOM 1528 OG1 THR A 95 10.204 -2.124 -8.070 1.00 0.00 O ATOM 1529 CG2 THR A 95 8.228 -0.939 -8.805 1.00 0.00 C ATOM 0 H THR A 95 9.678 -3.691 -9.595 1.00 0.00 H new ATOM 0 HA THR A 95 9.249 -1.294 -11.169 1.00 0.00 H new ATOM 0 HB THR A 95 10.252 -0.276 -9.016 1.00 0.00 H new ATOM 0 HG1 THR A 95 10.077 -1.735 -7.180 1.00 0.00 H new ATOM 0 HG21 THR A 95 8.109 -0.513 -7.809 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.852 -0.235 -9.548 1.00 0.00 H new ATOM 0 HG23 THR A 95 7.666 -1.870 -8.871 1.00 0.00 H new ATOM 1537 N GLY A 96 11.642 -0.500 -11.499 1.00 0.00 N ATOM 1538 CA GLY A 96 12.981 -0.252 -11.959 1.00 0.00 C ATOM 1539 C GLY A 96 13.084 -0.326 -13.462 1.00 0.00 C ATOM 1540 O GLY A 96 12.071 -0.285 -14.170 1.00 0.00 O ATOM 0 H GLY A 96 10.982 0.261 -11.659 1.00 0.00 H new ATOM 0 HA2 GLY A 96 13.304 0.733 -11.621 1.00 0.00 H new ATOM 0 HA3 GLY A 96 13.659 -0.980 -11.513 1.00 0.00 H new ATOM 1544 N GLY A 97 14.293 -0.450 -13.961 1.00 0.00 N ATOM 1545 CA GLY A 97 14.504 -0.517 -15.384 1.00 0.00 C ATOM 1546 C GLY A 97 15.248 0.690 -15.881 1.00 0.00 C ATOM 1547 O GLY A 97 14.593 1.675 -16.265 1.00 0.00 O ATOM 1548 OXT GLY A 97 16.492 0.674 -15.848 1.00 0.00 O ATOM 0 H GLY A 97 15.143 -0.506 -13.400 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.065 -1.419 -15.629 1.00 0.00 H new ATOM 0 HA3 GLY A 97 13.543 -0.590 -15.894 1.00 0.00 H new TER 1552 GLY A 97