USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 703 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 46 CYS SG : rot 87:sc= 0.386 USER MOD Set 1.2: A 78 GLN : amide:sc= 0.369 X(o=0.75,f=0.79) USER MOD Single : A 1 GLY N :NH3+ 145:sc= 0.0228 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 49:sc= 1.21 USER MOD Single : A 5 SER OG : rot 43:sc= 1.05 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 43:sc= 0.967 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -163:sc= -0.046 (180deg=-0.33) USER MOD Single : A 15 ASN : amide:sc= -1.06 X(o=-1.1,f=-1.5) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -4.49! C(o=-4.5!,f=-7.3!) USER MOD Single : A 29 ASN : amide:sc= -0.0965 X(o=-0.096,f=-0.096) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 148:sc= -2.43 (180deg=-3.91!) USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.618 F(o=-2.5,f=-0.62) USER MOD Single : A 52 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-1.8!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0933 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 1.06 (180deg=1.01) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0418 X(o=-0.042,f=-0.16) USER MOD Single : A 86 LYS NZ :NH3+ -141:sc= 0 (180deg=-1.88) USER MOD Single : A 87 GLN : amide:sc= -0.154 X(o=-0.15,f=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.825 40.231 -14.605 1.00 0.00 N ATOM 2 CA GLY A 1 -8.319 39.534 -13.431 1.00 0.00 C ATOM 3 C GLY A 1 -7.226 38.779 -12.702 1.00 0.00 C ATOM 4 O GLY A 1 -6.271 38.308 -13.319 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.552 40.216 -15.349 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.604 41.216 -14.356 1.00 0.00 H new ATOM 0 H3 GLY A 1 -6.965 39.760 -14.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.775 40.253 -12.751 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.102 38.836 -13.729 1.00 0.00 H new ATOM 8 N SER A 2 -7.365 38.664 -11.385 1.00 0.00 N ATOM 9 CA SER A 2 -6.377 37.965 -10.570 1.00 0.00 C ATOM 10 C SER A 2 -6.984 37.527 -9.241 1.00 0.00 C ATOM 11 O SER A 2 -7.597 38.324 -8.531 1.00 0.00 O ATOM 12 CB SER A 2 -5.164 38.864 -10.319 1.00 0.00 C ATOM 13 OG SER A 2 -3.985 38.095 -10.163 1.00 0.00 O ATOM 0 H SER A 2 -8.152 39.045 -10.859 1.00 0.00 H new ATOM 0 HA SER A 2 -6.055 37.077 -11.113 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.043 39.557 -11.151 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.331 39.465 -9.425 1.00 0.00 H new ATOM 0 HG SER A 2 -3.224 38.692 -10.006 1.00 0.00 H new ATOM 19 N SER A 3 -6.807 36.252 -8.909 1.00 0.00 N ATOM 20 CA SER A 3 -7.339 35.703 -7.667 1.00 0.00 C ATOM 21 C SER A 3 -6.814 34.292 -7.426 1.00 0.00 C ATOM 22 O SER A 3 -6.234 33.673 -8.318 1.00 0.00 O ATOM 23 CB SER A 3 -8.868 35.692 -7.704 1.00 0.00 C ATOM 24 OG SER A 3 -9.401 36.910 -7.215 1.00 0.00 O ATOM 0 H SER A 3 -6.299 35.579 -9.483 1.00 0.00 H new ATOM 0 HA SER A 3 -7.007 36.339 -6.846 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.208 35.527 -8.726 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.243 34.862 -7.106 1.00 0.00 H new ATOM 0 HG SER A 3 -8.944 37.663 -7.645 1.00 0.00 H new ATOM 30 N GLY A 4 -7.020 33.788 -6.214 1.00 0.00 N ATOM 31 CA GLY A 4 -6.562 32.453 -5.877 1.00 0.00 C ATOM 32 C GLY A 4 -7.479 31.757 -4.891 1.00 0.00 C ATOM 33 O GLY A 4 -7.756 32.282 -3.812 1.00 0.00 O ATOM 0 H GLY A 4 -7.496 34.281 -5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.491 31.856 -6.786 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.558 32.512 -5.456 1.00 0.00 H new ATOM 37 N SER A 5 -7.954 30.572 -5.262 1.00 0.00 N ATOM 38 CA SER A 5 -8.850 29.805 -4.404 1.00 0.00 C ATOM 39 C SER A 5 -8.060 28.897 -3.467 1.00 0.00 C ATOM 40 O SER A 5 -7.887 27.708 -3.736 1.00 0.00 O ATOM 41 CB SER A 5 -9.810 28.969 -5.254 1.00 0.00 C ATOM 42 OG SER A 5 -9.107 28.007 -6.020 1.00 0.00 O ATOM 0 H SER A 5 -7.733 30.122 -6.151 1.00 0.00 H new ATOM 0 HA SER A 5 -9.426 30.507 -3.801 1.00 0.00 H new ATOM 0 HB2 SER A 5 -10.531 28.468 -4.608 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.377 29.623 -5.917 1.00 0.00 H new ATOM 0 HG SER A 5 -8.419 27.586 -5.464 1.00 0.00 H new ATOM 48 N SER A 6 -7.582 29.466 -2.365 1.00 0.00 N ATOM 49 CA SER A 6 -6.807 28.711 -1.389 1.00 0.00 C ATOM 50 C SER A 6 -7.715 28.117 -0.316 1.00 0.00 C ATOM 51 O SER A 6 -8.473 28.834 0.338 1.00 0.00 O ATOM 52 CB SER A 6 -5.750 29.607 -0.740 1.00 0.00 C ATOM 53 OG SER A 6 -4.773 28.836 -0.063 1.00 0.00 O ATOM 0 H SER A 6 -7.718 30.448 -2.126 1.00 0.00 H new ATOM 0 HA SER A 6 -6.309 27.895 -1.912 1.00 0.00 H new ATOM 0 HB2 SER A 6 -5.270 30.219 -1.503 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.229 30.290 -0.038 1.00 0.00 H new ATOM 0 HG SER A 6 -4.108 29.432 0.341 1.00 0.00 H new ATOM 59 N GLY A 7 -7.633 26.802 -0.139 1.00 0.00 N ATOM 60 CA GLY A 7 -8.451 26.134 0.855 1.00 0.00 C ATOM 61 C GLY A 7 -7.756 24.934 1.467 1.00 0.00 C ATOM 62 O GLY A 7 -7.305 24.038 0.754 1.00 0.00 O ATOM 0 H GLY A 7 -7.014 26.187 -0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.709 26.841 1.643 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.386 25.813 0.396 1.00 0.00 H new ATOM 66 N SER A 8 -7.668 24.916 2.794 1.00 0.00 N ATOM 67 CA SER A 8 -7.018 23.819 3.501 1.00 0.00 C ATOM 68 C SER A 8 -8.051 22.906 4.155 1.00 0.00 C ATOM 69 O SER A 8 -8.592 23.222 5.214 1.00 0.00 O ATOM 70 CB SER A 8 -6.060 24.365 4.562 1.00 0.00 C ATOM 71 OG SER A 8 -6.756 25.122 5.537 1.00 0.00 O ATOM 0 H SER A 8 -8.038 25.648 3.400 1.00 0.00 H new ATOM 0 HA SER A 8 -6.452 23.236 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.537 23.539 5.044 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.302 24.988 4.086 1.00 0.00 H new ATOM 0 HG SER A 8 -7.580 24.655 5.787 1.00 0.00 H new ATOM 77 N ILE A 9 -8.318 21.773 3.515 1.00 0.00 N ATOM 78 CA ILE A 9 -9.285 20.812 4.033 1.00 0.00 C ATOM 79 C ILE A 9 -8.744 20.101 5.268 1.00 0.00 C ATOM 80 O ILE A 9 -9.509 19.623 6.105 1.00 0.00 O ATOM 81 CB ILE A 9 -9.659 19.762 2.971 1.00 0.00 C ATOM 82 CG1 ILE A 9 -8.492 18.801 2.740 1.00 0.00 C ATOM 83 CG2 ILE A 9 -10.059 20.443 1.670 1.00 0.00 C ATOM 84 CD1 ILE A 9 -7.331 19.426 2.001 1.00 0.00 C ATOM 0 H ILE A 9 -7.879 21.497 2.637 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.178 21.376 4.303 1.00 0.00 H new ATOM 0 HB ILE A 9 -10.511 19.187 3.333 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -8.141 18.430 3.703 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -8.848 17.938 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.321 19.687 0.929 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -10.918 21.090 1.847 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.225 21.040 1.301 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.541 18.686 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.666 19.772 1.023 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.948 20.271 2.573 1.00 0.00 H new ATOM 96 N GLN A 10 -7.421 20.036 5.375 1.00 0.00 N ATOM 97 CA GLN A 10 -6.777 19.383 6.509 1.00 0.00 C ATOM 98 C GLN A 10 -5.366 19.921 6.718 1.00 0.00 C ATOM 99 O GLN A 10 -4.602 20.076 5.765 1.00 0.00 O ATOM 100 CB GLN A 10 -6.734 17.869 6.295 1.00 0.00 C ATOM 101 CG GLN A 10 -8.057 17.175 6.576 1.00 0.00 C ATOM 102 CD GLN A 10 -7.906 15.675 6.737 1.00 0.00 C ATOM 103 OE1 GLN A 10 -7.828 15.164 7.854 1.00 0.00 O ATOM 104 NE2 GLN A 10 -7.866 14.961 5.619 1.00 0.00 N ATOM 0 H GLN A 10 -6.774 20.427 4.690 1.00 0.00 H new ATOM 0 HA GLN A 10 -7.363 19.599 7.402 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -6.438 17.665 5.266 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -5.965 17.441 6.939 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -8.496 17.592 7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -8.751 17.381 5.762 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -7.934 15.426 4.714 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -7.767 13.947 5.665 1.00 0.00 H new ATOM 113 N LYS A 11 -5.025 20.202 7.971 1.00 0.00 N ATOM 114 CA LYS A 11 -3.704 20.722 8.307 1.00 0.00 C ATOM 115 C LYS A 11 -2.739 19.587 8.631 1.00 0.00 C ATOM 116 O LYS A 11 -3.153 18.514 9.073 1.00 0.00 O ATOM 117 CB LYS A 11 -3.799 21.681 9.495 1.00 0.00 C ATOM 118 CG LYS A 11 -2.533 22.489 9.726 1.00 0.00 C ATOM 119 CD LYS A 11 -2.296 23.487 8.604 1.00 0.00 C ATOM 120 CE LYS A 11 -1.185 24.465 8.954 1.00 0.00 C ATOM 121 NZ LYS A 11 -1.566 25.357 10.084 1.00 0.00 N ATOM 0 H LYS A 11 -5.645 20.078 8.771 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.322 21.263 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -4.632 22.365 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -4.025 21.110 10.395 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.606 23.019 10.676 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.679 21.816 9.802 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.038 22.953 7.689 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.216 24.036 8.404 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -0.283 23.911 9.216 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.945 25.069 8.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.929 26.178 10.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.545 25.682 9.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.491 24.834 10.980 1.00 0.00 H new ATOM 135 N ASP A 12 -1.452 19.829 8.411 1.00 0.00 N ATOM 136 CA ASP A 12 -0.428 18.827 8.683 1.00 0.00 C ATOM 137 C ASP A 12 0.963 19.453 8.662 1.00 0.00 C ATOM 138 O ASP A 12 1.175 20.502 8.053 1.00 0.00 O ATOM 139 CB ASP A 12 -0.507 17.695 7.658 1.00 0.00 C ATOM 140 CG ASP A 12 -0.764 18.203 6.253 1.00 0.00 C ATOM 141 OD1 ASP A 12 0.215 18.554 5.561 1.00 0.00 O ATOM 142 OD2 ASP A 12 -1.943 18.248 5.846 1.00 0.00 O ATOM 0 H ASP A 12 -1.093 20.711 8.045 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.608 18.419 9.678 1.00 0.00 H new ATOM 0 HB2 ASP A 12 0.425 17.130 7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -1.302 17.006 7.943 1.00 0.00 H new ATOM 147 N LEU A 13 1.909 18.804 9.333 1.00 0.00 N ATOM 148 CA LEU A 13 3.281 19.296 9.392 1.00 0.00 C ATOM 149 C LEU A 13 4.274 18.176 9.104 1.00 0.00 C ATOM 150 O LEU A 13 5.412 18.206 9.575 1.00 0.00 O ATOM 151 CB LEU A 13 3.565 19.906 10.766 1.00 0.00 C ATOM 152 CG LEU A 13 3.269 21.398 10.912 1.00 0.00 C ATOM 153 CD1 LEU A 13 2.959 21.742 12.361 1.00 0.00 C ATOM 154 CD2 LEU A 13 4.442 22.227 10.406 1.00 0.00 C ATOM 0 H LEU A 13 1.751 17.936 9.844 1.00 0.00 H new ATOM 0 HA LEU A 13 3.399 20.065 8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 13 2.979 19.365 11.509 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.615 19.739 11.005 1.00 0.00 H new ATOM 0 HG LEU A 13 2.393 21.635 10.308 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.751 22.809 12.445 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.089 21.175 12.691 1.00 0.00 H new ATOM 0 HD13 LEU A 13 3.815 21.489 12.986 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.213 23.287 10.518 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.334 21.985 10.984 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.619 22.003 9.354 1.00 0.00 H new ATOM 166 N ALA A 14 3.839 17.191 8.326 1.00 0.00 N ATOM 167 CA ALA A 14 4.692 16.063 7.972 1.00 0.00 C ATOM 168 C ALA A 14 4.607 15.758 6.480 1.00 0.00 C ATOM 169 O ALA A 14 3.521 15.553 5.940 1.00 0.00 O ATOM 170 CB ALA A 14 4.310 14.836 8.786 1.00 0.00 C ATOM 0 H ALA A 14 2.900 17.151 7.928 1.00 0.00 H new ATOM 0 HA ALA A 14 5.723 16.332 8.203 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.955 14.002 8.511 1.00 0.00 H new ATOM 0 HB2 ALA A 14 4.429 15.052 9.848 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.272 14.574 8.583 1.00 0.00 H new ATOM 176 N ASN A 15 5.760 15.730 5.820 1.00 0.00 N ATOM 177 CA ASN A 15 5.815 15.452 4.389 1.00 0.00 C ATOM 178 C ASN A 15 5.224 14.080 4.079 1.00 0.00 C ATOM 179 O ASN A 15 4.396 13.939 3.179 1.00 0.00 O ATOM 180 CB ASN A 15 7.260 15.522 3.890 1.00 0.00 C ATOM 181 CG ASN A 15 8.217 14.757 4.783 1.00 0.00 C ATOM 182 OD1 ASN A 15 8.406 13.551 4.620 1.00 0.00 O ATOM 183 ND2 ASN A 15 8.827 15.456 5.732 1.00 0.00 N ATOM 0 H ASN A 15 6.669 15.896 6.253 1.00 0.00 H new ATOM 0 HA ASN A 15 5.223 16.208 3.874 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.312 15.120 2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 15 7.573 16.565 3.836 1.00 0.00 H new ATOM 0 HD21 ASN A 15 9.483 14.995 6.363 1.00 0.00 H new ATOM 0 HD22 ASN A 15 8.640 16.454 5.830 1.00 0.00 H new ATOM 190 N ILE A 16 5.654 13.073 4.832 1.00 0.00 N ATOM 191 CA ILE A 16 5.167 11.713 4.638 1.00 0.00 C ATOM 192 C ILE A 16 3.705 11.709 4.205 1.00 0.00 C ATOM 193 O ILE A 16 2.901 12.504 4.692 1.00 0.00 O ATOM 194 CB ILE A 16 5.311 10.875 5.923 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.782 10.785 6.335 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.727 9.485 5.717 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.654 10.085 5.317 1.00 0.00 C ATOM 0 H ILE A 16 6.338 13.173 5.582 1.00 0.00 H new ATOM 0 HA ILE A 16 5.778 11.268 3.852 1.00 0.00 H new ATOM 0 HB ILE A 16 4.757 11.365 6.724 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.167 11.791 6.500 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.853 10.257 7.286 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.836 8.905 6.633 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.670 9.568 5.464 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.256 8.985 4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.683 10.058 5.676 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.295 9.067 5.169 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.614 10.625 4.371 1.00 0.00 H new ATOM 209 N ALA A 17 3.368 10.810 3.287 1.00 0.00 N ATOM 210 CA ALA A 17 2.001 10.700 2.790 1.00 0.00 C ATOM 211 C ALA A 17 1.363 9.384 3.225 1.00 0.00 C ATOM 212 O ALA A 17 1.741 8.315 2.750 1.00 0.00 O ATOM 213 CB ALA A 17 1.980 10.823 1.274 1.00 0.00 C ATOM 0 H ALA A 17 4.022 10.147 2.872 1.00 0.00 H new ATOM 0 HA ALA A 17 1.418 11.515 3.218 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.954 10.739 0.916 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.388 11.791 0.982 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.583 10.028 0.836 1.00 0.00 H new ATOM 219 N GLU A 18 0.395 9.474 4.131 1.00 0.00 N ATOM 220 CA GLU A 18 -0.294 8.290 4.631 1.00 0.00 C ATOM 221 C GLU A 18 -1.412 7.869 3.681 1.00 0.00 C ATOM 222 O GLU A 18 -2.404 8.580 3.517 1.00 0.00 O ATOM 223 CB GLU A 18 -0.868 8.556 6.024 1.00 0.00 C ATOM 224 CG GLU A 18 -1.581 7.358 6.628 1.00 0.00 C ATOM 225 CD GLU A 18 -3.044 7.291 6.234 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.856 8.018 6.844 1.00 0.00 O ATOM 227 OE2 GLU A 18 -3.377 6.511 5.318 1.00 0.00 O ATOM 0 H GLU A 18 0.070 10.353 4.533 1.00 0.00 H new ATOM 0 HA GLU A 18 0.432 7.479 4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -0.059 8.860 6.689 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.565 9.392 5.967 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.081 6.443 6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.503 7.403 7.714 1.00 0.00 H new ATOM 234 N VAL A 19 -1.244 6.708 3.056 1.00 0.00 N ATOM 235 CA VAL A 19 -2.237 6.191 2.122 1.00 0.00 C ATOM 236 C VAL A 19 -2.564 4.732 2.419 1.00 0.00 C ATOM 237 O VAL A 19 -1.745 3.843 2.186 1.00 0.00 O ATOM 238 CB VAL A 19 -1.753 6.312 0.665 1.00 0.00 C ATOM 239 CG1 VAL A 19 -2.795 5.751 -0.291 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.434 7.760 0.328 1.00 0.00 C ATOM 0 H VAL A 19 -0.429 6.107 3.180 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.136 6.794 2.249 1.00 0.00 H new ATOM 0 HB VAL A 19 -0.840 5.728 0.554 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.436 5.845 -1.316 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.970 4.700 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.727 6.306 -0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.094 7.827 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.329 8.369 0.455 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.650 8.124 0.992 1.00 0.00 H new ATOM 250 N GLU A 20 -3.765 4.493 2.935 1.00 0.00 N ATOM 251 CA GLU A 20 -4.199 3.140 3.264 1.00 0.00 C ATOM 252 C GLU A 20 -5.183 2.617 2.222 1.00 0.00 C ATOM 253 O GLU A 20 -6.008 3.365 1.698 1.00 0.00 O ATOM 254 CB GLU A 20 -4.845 3.111 4.651 1.00 0.00 C ATOM 255 CG GLU A 20 -6.320 3.475 4.644 1.00 0.00 C ATOM 256 CD GLU A 20 -6.881 3.667 6.039 1.00 0.00 C ATOM 257 OE1 GLU A 20 -6.080 3.779 6.990 1.00 0.00 O ATOM 258 OE2 GLU A 20 -8.121 3.705 6.180 1.00 0.00 O ATOM 0 H GLU A 20 -4.455 5.218 3.134 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.321 2.494 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -4.728 2.114 5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.312 3.801 5.305 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.461 4.391 4.071 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.881 2.691 4.136 1.00 0.00 H new ATOM 265 N VAL A 21 -5.089 1.324 1.926 1.00 0.00 N ATOM 266 CA VAL A 21 -5.971 0.698 0.947 1.00 0.00 C ATOM 267 C VAL A 21 -6.695 -0.502 1.547 1.00 0.00 C ATOM 268 O VAL A 21 -6.265 -1.058 2.558 1.00 0.00 O ATOM 269 CB VAL A 21 -5.190 0.241 -0.300 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.139 -0.792 0.076 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.142 -0.311 -1.351 1.00 0.00 C ATOM 0 H VAL A 21 -4.412 0.690 2.350 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.703 1.451 0.654 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.678 1.105 -0.724 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.598 -1.103 -0.818 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.440 -0.357 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.625 -1.658 0.525 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.574 -0.629 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.683 -1.163 -0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.852 0.464 -1.642 1.00 0.00 H new ATOM 281 N SER A 22 -7.797 -0.897 0.917 1.00 0.00 N ATOM 282 CA SER A 22 -8.584 -2.029 1.391 1.00 0.00 C ATOM 283 C SER A 22 -8.102 -3.330 0.755 1.00 0.00 C ATOM 284 O SER A 22 -8.321 -3.570 -0.433 1.00 0.00 O ATOM 285 CB SER A 22 -10.066 -1.814 1.080 1.00 0.00 C ATOM 286 OG SER A 22 -10.849 -2.897 1.549 1.00 0.00 O ATOM 0 H SER A 22 -8.165 -0.450 0.077 1.00 0.00 H new ATOM 0 HA SER A 22 -8.455 -2.103 2.471 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.407 -0.888 1.543 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.202 -1.702 0.004 1.00 0.00 H new ATOM 0 HG SER A 22 -11.792 -2.734 1.339 1.00 0.00 H new ATOM 292 N ILE A 23 -7.445 -4.164 1.554 1.00 0.00 N ATOM 293 CA ILE A 23 -6.933 -5.440 1.070 1.00 0.00 C ATOM 294 C ILE A 23 -7.428 -6.595 1.934 1.00 0.00 C ATOM 295 O ILE A 23 -7.423 -6.529 3.164 1.00 0.00 O ATOM 296 CB ILE A 23 -5.393 -5.456 1.046 1.00 0.00 C ATOM 297 CG1 ILE A 23 -4.858 -4.192 0.367 1.00 0.00 C ATOM 298 CG2 ILE A 23 -4.888 -6.700 0.331 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.970 -4.223 -1.141 1.00 0.00 C ATOM 0 H ILE A 23 -7.255 -3.979 2.539 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.306 -5.564 0.053 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.029 -5.477 2.073 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.403 -3.327 0.746 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.812 -4.056 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -3.798 -6.697 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.244 -7.589 0.852 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.259 -6.707 -0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.572 -3.296 -1.555 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -4.402 -5.068 -1.531 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.017 -4.328 -1.426 1.00 0.00 H new ATOM 311 N PRO A 24 -7.865 -7.679 1.278 1.00 0.00 N ATOM 312 CA PRO A 24 -8.371 -8.870 1.967 1.00 0.00 C ATOM 313 C PRO A 24 -7.267 -9.633 2.691 1.00 0.00 C ATOM 314 O PRO A 24 -6.210 -9.903 2.122 1.00 0.00 O ATOM 315 CB PRO A 24 -8.949 -9.718 0.830 1.00 0.00 C ATOM 316 CG PRO A 24 -8.202 -9.287 -0.383 1.00 0.00 C ATOM 317 CD PRO A 24 -7.901 -7.826 -0.187 1.00 0.00 C ATOM 0 HA PRO A 24 -9.096 -8.617 2.740 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.812 -10.782 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.020 -9.550 0.716 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.284 -9.862 -0.501 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.795 -9.446 -1.284 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -6.951 -7.547 -0.642 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.667 -7.194 -0.636 1.00 0.00 H new ATOM 325 N ALA A 25 -7.519 -9.979 3.949 1.00 0.00 N ATOM 326 CA ALA A 25 -6.548 -10.713 4.750 1.00 0.00 C ATOM 327 C ALA A 25 -6.105 -11.989 4.042 1.00 0.00 C ATOM 328 O ALA A 25 -4.914 -12.292 3.972 1.00 0.00 O ATOM 329 CB ALA A 25 -7.129 -11.040 6.117 1.00 0.00 C ATOM 0 H ALA A 25 -8.389 -9.762 4.436 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.671 -10.079 4.883 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.392 -11.588 6.704 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -7.388 -10.115 6.633 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.023 -11.651 5.995 1.00 0.00 H new ATOM 335 N LYS A 26 -7.072 -12.735 3.518 1.00 0.00 N ATOM 336 CA LYS A 26 -6.783 -13.980 2.816 1.00 0.00 C ATOM 337 C LYS A 26 -5.653 -13.787 1.810 1.00 0.00 C ATOM 338 O LYS A 26 -4.860 -14.698 1.569 1.00 0.00 O ATOM 339 CB LYS A 26 -8.037 -14.487 2.099 1.00 0.00 C ATOM 340 CG LYS A 26 -8.368 -13.715 0.833 1.00 0.00 C ATOM 341 CD LYS A 26 -9.824 -13.896 0.435 1.00 0.00 C ATOM 342 CE LYS A 26 -10.715 -12.850 1.086 1.00 0.00 C ATOM 343 NZ LYS A 26 -12.153 -13.071 0.770 1.00 0.00 N ATOM 0 H LYS A 26 -8.063 -12.499 3.566 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.468 -14.719 3.552 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.902 -15.539 1.848 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.884 -14.429 2.782 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.161 -12.656 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.723 -14.052 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.917 -13.830 -0.649 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.160 -14.892 0.724 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.573 -12.874 2.166 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.417 -11.858 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.727 -12.337 1.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.294 -13.023 -0.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.445 -14.007 1.116 1.00 0.00 H new ATOM 357 N LEU A 27 -5.583 -12.596 1.226 1.00 0.00 N ATOM 358 CA LEU A 27 -4.548 -12.283 0.247 1.00 0.00 C ATOM 359 C LEU A 27 -3.268 -11.821 0.936 1.00 0.00 C ATOM 360 O LEU A 27 -2.164 -12.161 0.510 1.00 0.00 O ATOM 361 CB LEU A 27 -5.040 -11.201 -0.716 1.00 0.00 C ATOM 362 CG LEU A 27 -6.169 -11.609 -1.664 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.482 -10.484 -2.637 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.801 -12.881 -2.415 1.00 0.00 C ATOM 0 H LEU A 27 -6.231 -11.831 1.413 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.329 -13.190 -0.316 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.376 -10.346 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.194 -10.864 -1.315 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.062 -11.807 -1.071 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.288 -10.793 -3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.790 -9.598 -2.082 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.593 -10.253 -3.225 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.616 -13.157 -3.085 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.895 -12.711 -2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.629 -13.687 -1.702 1.00 0.00 H new ATOM 376 N HIS A 28 -3.424 -11.047 2.007 1.00 0.00 N ATOM 377 CA HIS A 28 -2.281 -10.542 2.757 1.00 0.00 C ATOM 378 C HIS A 28 -1.152 -11.567 2.784 1.00 0.00 C ATOM 379 O HIS A 28 -0.076 -11.334 2.236 1.00 0.00 O ATOM 380 CB HIS A 28 -2.698 -10.188 4.185 1.00 0.00 C ATOM 381 CG HIS A 28 -3.593 -8.990 4.268 1.00 0.00 C ATOM 382 ND1 HIS A 28 -3.827 -8.306 5.443 1.00 0.00 N ATOM 383 CD2 HIS A 28 -4.311 -8.354 3.314 1.00 0.00 C ATOM 384 CE1 HIS A 28 -4.652 -7.301 5.207 1.00 0.00 C ATOM 385 NE2 HIS A 28 -4.961 -7.307 3.923 1.00 0.00 N ATOM 0 H HIS A 28 -4.331 -10.757 2.373 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.919 -9.643 2.258 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.208 -11.043 4.629 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.804 -10.005 4.781 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -4.364 -8.619 2.268 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.012 -6.594 5.940 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.581 -6.643 3.459 1.00 0.00 H new ATOM 393 N ASN A 29 -1.405 -12.703 3.427 1.00 0.00 N ATOM 394 CA ASN A 29 -0.409 -13.764 3.526 1.00 0.00 C ATOM 395 C ASN A 29 0.322 -13.949 2.200 1.00 0.00 C ATOM 396 O ASN A 29 1.543 -13.813 2.128 1.00 0.00 O ATOM 397 CB ASN A 29 -1.073 -15.078 3.943 1.00 0.00 C ATOM 398 CG ASN A 29 -1.789 -14.966 5.276 1.00 0.00 C ATOM 399 OD1 ASN A 29 -3.013 -15.070 5.346 1.00 0.00 O ATOM 400 ND2 ASN A 29 -1.025 -14.753 6.342 1.00 0.00 N ATOM 0 H ASN A 29 -2.291 -12.912 3.887 1.00 0.00 H new ATOM 0 HA ASN A 29 0.319 -13.476 4.285 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.785 -15.382 3.176 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.317 -15.861 4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.450 -14.669 7.265 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.014 -14.673 6.237 1.00 0.00 H new ATOM 407 N SER A 30 -0.434 -14.261 1.152 1.00 0.00 N ATOM 408 CA SER A 30 0.142 -14.469 -0.172 1.00 0.00 C ATOM 409 C SER A 30 1.039 -13.299 -0.563 1.00 0.00 C ATOM 410 O SER A 30 2.241 -13.466 -0.773 1.00 0.00 O ATOM 411 CB SER A 30 -0.967 -14.646 -1.211 1.00 0.00 C ATOM 412 OG SER A 30 -1.434 -15.984 -1.236 1.00 0.00 O ATOM 0 H SER A 30 -1.447 -14.375 1.194 1.00 0.00 H new ATOM 0 HA SER A 30 0.748 -15.374 -0.140 1.00 0.00 H new ATOM 0 HB2 SER A 30 -1.794 -13.973 -0.983 1.00 0.00 H new ATOM 0 HB3 SER A 30 -0.593 -14.369 -2.197 1.00 0.00 H new ATOM 0 HG SER A 30 -2.143 -16.070 -1.907 1.00 0.00 H new ATOM 418 N LEU A 31 0.447 -12.114 -0.660 1.00 0.00 N ATOM 419 CA LEU A 31 1.191 -10.914 -1.026 1.00 0.00 C ATOM 420 C LEU A 31 2.496 -10.822 -0.242 1.00 0.00 C ATOM 421 O LEU A 31 3.579 -10.757 -0.825 1.00 0.00 O ATOM 422 CB LEU A 31 0.342 -9.666 -0.774 1.00 0.00 C ATOM 423 CG LEU A 31 -0.527 -9.199 -1.941 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.784 -8.513 -1.429 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.259 -8.265 -2.850 1.00 0.00 C ATOM 0 H LEU A 31 -0.547 -11.958 -0.490 1.00 0.00 H new ATOM 0 HA LEU A 31 1.430 -10.975 -2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.306 -9.858 0.081 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.007 -8.849 -0.493 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.825 -10.073 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.391 -8.187 -2.274 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.357 -9.211 -0.819 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.507 -7.648 -0.826 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.375 -7.942 -3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.586 -7.394 -2.282 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.130 -8.789 -3.245 1.00 0.00 H new ATOM 437 N ILE A 32 2.386 -10.819 1.083 1.00 0.00 N ATOM 438 CA ILE A 32 3.557 -10.740 1.946 1.00 0.00 C ATOM 439 C ILE A 32 4.611 -11.764 1.539 1.00 0.00 C ATOM 440 O ILE A 32 5.808 -11.482 1.566 1.00 0.00 O ATOM 441 CB ILE A 32 3.184 -10.963 3.423 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.125 -9.951 3.863 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.421 -10.861 4.304 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.458 -10.305 5.174 1.00 0.00 C ATOM 0 H ILE A 32 1.497 -10.870 1.581 1.00 0.00 H new ATOM 0 HA ILE A 32 3.966 -9.736 1.831 1.00 0.00 H new ATOM 0 HB ILE A 32 2.768 -11.965 3.529 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.589 -8.969 3.954 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.364 -9.873 3.087 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.140 -11.021 5.345 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.145 -11.618 4.003 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.864 -9.871 4.196 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.719 -9.544 5.424 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.965 -11.273 5.082 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.209 -10.354 5.963 1.00 0.00 H new ATOM 456 N GLY A 33 4.157 -12.954 1.160 1.00 0.00 N ATOM 457 CA GLY A 33 5.073 -14.003 0.750 1.00 0.00 C ATOM 458 C GLY A 33 5.441 -14.930 1.893 1.00 0.00 C ATOM 459 O GLY A 33 4.720 -15.020 2.886 1.00 0.00 O ATOM 0 H GLY A 33 3.170 -13.211 1.129 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.620 -14.584 -0.053 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.979 -13.552 0.345 1.00 0.00 H new ATOM 463 N THR A 34 6.566 -15.624 1.750 1.00 0.00 N ATOM 464 CA THR A 34 7.027 -16.551 2.776 1.00 0.00 C ATOM 465 C THR A 34 7.927 -15.850 3.787 1.00 0.00 C ATOM 466 O THR A 34 7.901 -16.161 4.977 1.00 0.00 O ATOM 467 CB THR A 34 7.793 -17.736 2.158 1.00 0.00 C ATOM 468 OG1 THR A 34 8.335 -18.562 3.195 1.00 0.00 O ATOM 469 CG2 THR A 34 8.914 -17.244 1.256 1.00 0.00 C ATOM 0 H THR A 34 7.174 -15.562 0.934 1.00 0.00 H new ATOM 0 HA THR A 34 6.139 -16.927 3.285 1.00 0.00 H new ATOM 0 HB THR A 34 7.095 -18.319 1.557 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.819 -19.314 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.441 -18.098 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.495 -16.639 0.452 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.611 -16.641 1.838 1.00 0.00 H new ATOM 477 N LYS A 35 8.722 -14.901 3.306 1.00 0.00 N ATOM 478 CA LYS A 35 9.630 -14.153 4.167 1.00 0.00 C ATOM 479 C LYS A 35 9.419 -12.651 4.005 1.00 0.00 C ATOM 480 O LYS A 35 10.371 -11.872 4.052 1.00 0.00 O ATOM 481 CB LYS A 35 11.083 -14.513 3.846 1.00 0.00 C ATOM 482 CG LYS A 35 11.559 -15.782 4.531 1.00 0.00 C ATOM 483 CD LYS A 35 13.009 -16.088 4.190 1.00 0.00 C ATOM 484 CE LYS A 35 13.619 -17.066 5.182 1.00 0.00 C ATOM 485 NZ LYS A 35 14.120 -16.377 6.404 1.00 0.00 N ATOM 0 H LYS A 35 8.756 -14.631 2.323 1.00 0.00 H new ATOM 0 HA LYS A 35 9.416 -14.423 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 35 11.190 -14.630 2.768 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.728 -13.686 4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.452 -15.676 5.611 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.929 -16.618 4.229 1.00 0.00 H new ATOM 0 HD2 LYS A 35 13.068 -16.504 3.184 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.586 -15.163 4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.873 -17.809 5.464 1.00 0.00 H new ATOM 0 HE3 LYS A 35 14.439 -17.602 4.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 14.528 -17.078 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.850 -15.685 6.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.332 -15.886 6.873 1.00 0.00 H new ATOM 499 N GLY A 36 8.165 -12.251 3.815 1.00 0.00 N ATOM 500 CA GLY A 36 7.853 -10.843 3.651 1.00 0.00 C ATOM 501 C GLY A 36 8.707 -10.180 2.587 1.00 0.00 C ATOM 502 O GLY A 36 8.859 -8.958 2.577 1.00 0.00 O ATOM 0 H GLY A 36 7.360 -12.876 3.772 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.801 -10.735 3.387 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.998 -10.329 4.601 1.00 0.00 H new ATOM 506 N ARG A 37 9.266 -10.987 1.692 1.00 0.00 N ATOM 507 CA ARG A 37 10.111 -10.472 0.621 1.00 0.00 C ATOM 508 C ARG A 37 9.270 -9.783 -0.451 1.00 0.00 C ATOM 509 O ARG A 37 9.482 -8.610 -0.761 1.00 0.00 O ATOM 510 CB ARG A 37 10.926 -11.605 -0.005 1.00 0.00 C ATOM 511 CG ARG A 37 11.722 -12.413 1.006 1.00 0.00 C ATOM 512 CD ARG A 37 12.888 -13.135 0.348 1.00 0.00 C ATOM 513 NE ARG A 37 14.024 -12.246 0.121 1.00 0.00 N ATOM 514 CZ ARG A 37 14.972 -12.481 -0.779 1.00 0.00 C ATOM 515 NH1 ARG A 37 14.922 -13.572 -1.531 1.00 0.00 N ATOM 516 NH2 ARG A 37 15.974 -11.624 -0.928 1.00 0.00 N ATOM 0 H ARG A 37 9.149 -12.000 1.687 1.00 0.00 H new ATOM 0 HA ARG A 37 10.793 -9.739 1.051 1.00 0.00 H new ATOM 0 HB2 ARG A 37 10.252 -12.273 -0.541 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.611 -11.185 -0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.096 -11.752 1.788 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.068 -13.140 1.489 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.200 -13.968 0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.563 -13.558 -0.603 1.00 0.00 H new ATOM 0 HE ARG A 37 14.093 -11.398 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.154 -14.234 -1.419 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.652 -13.749 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.017 -10.784 -0.351 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.702 -11.805 -1.619 1.00 0.00 H new ATOM 530 N LEU A 38 8.318 -10.519 -1.012 1.00 0.00 N ATOM 531 CA LEU A 38 7.446 -9.980 -2.049 1.00 0.00 C ATOM 532 C LEU A 38 7.009 -8.558 -1.709 1.00 0.00 C ATOM 533 O LEU A 38 6.842 -7.721 -2.596 1.00 0.00 O ATOM 534 CB LEU A 38 6.217 -10.874 -2.226 1.00 0.00 C ATOM 535 CG LEU A 38 6.354 -12.010 -3.240 1.00 0.00 C ATOM 536 CD1 LEU A 38 7.064 -13.201 -2.616 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.987 -12.419 -3.771 1.00 0.00 C ATOM 0 H LEU A 38 8.130 -11.491 -0.766 1.00 0.00 H new ATOM 0 HA LEU A 38 8.007 -9.955 -2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.965 -11.306 -1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.376 -10.247 -2.524 1.00 0.00 H new ATOM 0 HG LEU A 38 6.955 -11.653 -4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.152 -13.999 -3.353 1.00 0.00 H new ATOM 0 HD12 LEU A 38 8.058 -12.900 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.491 -13.559 -1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.104 -13.229 -4.491 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.362 -12.756 -2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.515 -11.565 -4.258 1.00 0.00 H new ATOM 549 N ILE A 39 6.830 -8.293 -0.420 1.00 0.00 N ATOM 550 CA ILE A 39 6.416 -6.971 0.038 1.00 0.00 C ATOM 551 C ILE A 39 7.625 -6.081 0.310 1.00 0.00 C ATOM 552 O ILE A 39 7.652 -4.916 -0.087 1.00 0.00 O ATOM 553 CB ILE A 39 5.560 -7.060 1.314 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.143 -7.526 0.973 1.00 0.00 C ATOM 555 CG2 ILE A 39 5.525 -5.714 2.023 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.329 -6.489 0.232 1.00 0.00 C ATOM 0 H ILE A 39 6.965 -8.975 0.326 1.00 0.00 H new ATOM 0 HA ILE A 39 5.817 -6.533 -0.760 1.00 0.00 H new ATOM 0 HB ILE A 39 6.010 -7.791 1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.202 -8.430 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.625 -7.793 1.894 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.916 -5.793 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 39 6.539 -5.420 2.295 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.095 -4.964 1.359 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.336 -6.887 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.239 -5.592 0.844 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.825 -6.240 -0.706 1.00 0.00 H new ATOM 568 N ARG A 40 8.623 -6.639 0.986 1.00 0.00 N ATOM 569 CA ARG A 40 9.835 -5.896 1.311 1.00 0.00 C ATOM 570 C ARG A 40 10.460 -5.299 0.054 1.00 0.00 C ATOM 571 O ARG A 40 10.740 -4.102 -0.003 1.00 0.00 O ATOM 572 CB ARG A 40 10.844 -6.807 2.013 1.00 0.00 C ATOM 573 CG ARG A 40 10.719 -6.804 3.527 1.00 0.00 C ATOM 574 CD ARG A 40 12.044 -7.129 4.198 1.00 0.00 C ATOM 575 NE ARG A 40 11.970 -6.995 5.650 1.00 0.00 N ATOM 576 CZ ARG A 40 13.023 -7.110 6.452 1.00 0.00 C ATOM 577 NH1 ARG A 40 14.222 -7.360 5.947 1.00 0.00 N ATOM 578 NH2 ARG A 40 12.876 -6.976 7.764 1.00 0.00 N ATOM 0 H ARG A 40 8.617 -7.603 1.320 1.00 0.00 H new ATOM 0 HA ARG A 40 9.563 -5.081 1.982 1.00 0.00 H new ATOM 0 HB2 ARG A 40 10.715 -7.826 1.649 1.00 0.00 H new ATOM 0 HB3 ARG A 40 11.852 -6.496 1.740 1.00 0.00 H new ATOM 0 HG2 ARG A 40 10.371 -5.827 3.862 1.00 0.00 H new ATOM 0 HG3 ARG A 40 9.968 -7.532 3.832 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.340 -8.147 3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.818 -6.466 3.812 1.00 0.00 H new ATOM 0 HE ARG A 40 11.061 -6.803 6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 40 14.339 -7.465 4.939 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.028 -7.448 6.566 1.00 0.00 H new ATOM 0 HH21 ARG A 40 11.954 -6.785 8.157 1.00 0.00 H new ATOM 0 HH22 ARG A 40 13.685 -7.064 8.379 1.00 0.00 H new ATOM 592 N SER A 41 10.675 -6.142 -0.951 1.00 0.00 N ATOM 593 CA SER A 41 11.271 -5.698 -2.205 1.00 0.00 C ATOM 594 C SER A 41 10.562 -4.455 -2.735 1.00 0.00 C ATOM 595 O SER A 41 11.184 -3.415 -2.947 1.00 0.00 O ATOM 596 CB SER A 41 11.209 -6.817 -3.248 1.00 0.00 C ATOM 597 OG SER A 41 12.188 -6.630 -4.255 1.00 0.00 O ATOM 0 H SER A 41 10.445 -7.135 -0.921 1.00 0.00 H new ATOM 0 HA SER A 41 12.314 -5.446 -2.013 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.362 -7.780 -2.762 1.00 0.00 H new ATOM 0 HB3 SER A 41 10.218 -6.842 -3.700 1.00 0.00 H new ATOM 0 HG SER A 41 12.129 -7.358 -4.908 1.00 0.00 H new ATOM 603 N ILE A 42 9.255 -4.573 -2.946 1.00 0.00 N ATOM 604 CA ILE A 42 8.460 -3.460 -3.449 1.00 0.00 C ATOM 605 C ILE A 42 8.802 -2.166 -2.719 1.00 0.00 C ATOM 606 O ILE A 42 8.873 -1.098 -3.328 1.00 0.00 O ATOM 607 CB ILE A 42 6.951 -3.735 -3.304 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.562 -4.990 -4.088 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.146 -2.535 -3.780 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.165 -5.485 -3.781 1.00 0.00 C ATOM 0 H ILE A 42 8.725 -5.428 -2.776 1.00 0.00 H new ATOM 0 HA ILE A 42 8.701 -3.352 -4.506 1.00 0.00 H new ATOM 0 HB ILE A 42 6.726 -3.903 -2.251 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.638 -4.780 -5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.277 -5.783 -3.867 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.082 -2.744 -3.671 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.407 -1.662 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.372 -2.338 -4.828 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.957 -6.377 -4.372 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.089 -5.726 -2.721 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.441 -4.709 -4.029 1.00 0.00 H new ATOM 622 N MET A 43 9.015 -2.269 -1.411 1.00 0.00 N ATOM 623 CA MET A 43 9.353 -1.107 -0.599 1.00 0.00 C ATOM 624 C MET A 43 10.712 -0.540 -0.998 1.00 0.00 C ATOM 625 O MET A 43 10.895 0.676 -1.053 1.00 0.00 O ATOM 626 CB MET A 43 9.359 -1.479 0.886 1.00 0.00 C ATOM 627 CG MET A 43 8.015 -1.973 1.395 1.00 0.00 C ATOM 628 SD MET A 43 7.915 -1.983 3.195 1.00 0.00 S ATOM 629 CE MET A 43 9.192 -3.172 3.598 1.00 0.00 C ATOM 0 H MET A 43 8.959 -3.145 -0.892 1.00 0.00 H new ATOM 0 HA MET A 43 8.595 -0.343 -0.772 1.00 0.00 H new ATOM 0 HB2 MET A 43 10.109 -2.252 1.055 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.661 -0.609 1.469 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.224 -1.339 0.995 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.837 -2.981 1.019 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.650 -2.906 4.551 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.753 -4.167 3.672 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.952 -3.168 2.817 1.00 0.00 H new ATOM 639 N GLU A 44 11.659 -1.429 -1.277 1.00 0.00 N ATOM 640 CA GLU A 44 13.001 -1.016 -1.671 1.00 0.00 C ATOM 641 C GLU A 44 12.993 -0.403 -3.068 1.00 0.00 C ATOM 642 O GLU A 44 13.328 0.769 -3.245 1.00 0.00 O ATOM 643 CB GLU A 44 13.960 -2.208 -1.630 1.00 0.00 C ATOM 644 CG GLU A 44 15.413 -1.815 -1.431 1.00 0.00 C ATOM 645 CD GLU A 44 16.270 -2.971 -0.954 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.275 -4.023 -1.626 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.936 -2.822 0.093 1.00 0.00 O ATOM 0 H GLU A 44 11.522 -2.439 -1.238 1.00 0.00 H new ATOM 0 HA GLU A 44 13.343 -0.261 -0.963 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.660 -2.877 -0.823 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.869 -2.769 -2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.814 -1.434 -2.370 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.470 -1.002 -0.707 1.00 0.00 H new ATOM 654 N GLU A 45 12.609 -1.203 -4.058 1.00 0.00 N ATOM 655 CA GLU A 45 12.560 -0.740 -5.439 1.00 0.00 C ATOM 656 C GLU A 45 11.881 0.624 -5.532 1.00 0.00 C ATOM 657 O GLU A 45 12.337 1.508 -6.257 1.00 0.00 O ATOM 658 CB GLU A 45 11.816 -1.752 -6.313 1.00 0.00 C ATOM 659 CG GLU A 45 10.493 -2.210 -5.723 1.00 0.00 C ATOM 660 CD GLU A 45 9.325 -1.359 -6.180 1.00 0.00 C ATOM 661 OE1 GLU A 45 9.566 -0.291 -6.781 1.00 0.00 O ATOM 662 OE2 GLU A 45 8.167 -1.761 -5.937 1.00 0.00 O ATOM 0 H GLU A 45 12.327 -2.175 -3.929 1.00 0.00 H new ATOM 0 HA GLU A 45 13.584 -0.642 -5.799 1.00 0.00 H new ATOM 0 HB2 GLU A 45 11.633 -1.309 -7.292 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.454 -2.621 -6.471 1.00 0.00 H new ATOM 0 HG2 GLU A 45 10.314 -3.248 -6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 45 10.555 -2.181 -4.635 1.00 0.00 H new ATOM 669 N CYS A 46 10.789 0.786 -4.792 1.00 0.00 N ATOM 670 CA CYS A 46 10.047 2.041 -4.791 1.00 0.00 C ATOM 671 C CYS A 46 10.911 3.185 -4.271 1.00 0.00 C ATOM 672 O CYS A 46 11.167 4.157 -4.980 1.00 0.00 O ATOM 673 CB CYS A 46 8.785 1.910 -3.936 1.00 0.00 C ATOM 674 SG CYS A 46 7.381 1.171 -4.801 1.00 0.00 S ATOM 0 H CYS A 46 10.399 0.064 -4.186 1.00 0.00 H new ATOM 0 HA CYS A 46 9.761 2.265 -5.818 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.015 1.307 -3.058 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.498 2.898 -3.578 1.00 0.00 H new ATOM 0 HG CYS A 46 7.447 -0.124 -4.708 1.00 0.00 H new ATOM 680 N GLY A 47 11.359 3.063 -3.024 1.00 0.00 N ATOM 681 CA GLY A 47 12.188 4.093 -2.429 1.00 0.00 C ATOM 682 C GLY A 47 12.533 3.798 -0.983 1.00 0.00 C ATOM 683 O GLY A 47 13.645 4.072 -0.534 1.00 0.00 O ATOM 0 H GLY A 47 11.162 2.268 -2.416 1.00 0.00 H new ATOM 0 HA2 GLY A 47 13.108 4.192 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.670 5.050 -2.487 1.00 0.00 H new ATOM 687 N GLY A 48 11.575 3.236 -0.251 1.00 0.00 N ATOM 688 CA GLY A 48 11.802 2.914 1.146 1.00 0.00 C ATOM 689 C GLY A 48 10.565 3.122 1.997 1.00 0.00 C ATOM 690 O GLY A 48 10.658 3.561 3.144 1.00 0.00 O ATOM 0 H GLY A 48 10.647 2.998 -0.600 1.00 0.00 H new ATOM 0 HA2 GLY A 48 12.126 1.877 1.229 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.613 3.533 1.531 1.00 0.00 H new ATOM 694 N VAL A 49 9.402 2.807 1.435 1.00 0.00 N ATOM 695 CA VAL A 49 8.141 2.962 2.151 1.00 0.00 C ATOM 696 C VAL A 49 7.919 1.815 3.129 1.00 0.00 C ATOM 697 O VAL A 49 8.516 0.746 2.995 1.00 0.00 O ATOM 698 CB VAL A 49 6.949 3.030 1.178 1.00 0.00 C ATOM 699 CG1 VAL A 49 7.064 4.250 0.277 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.861 1.755 0.354 1.00 0.00 C ATOM 0 H VAL A 49 9.307 2.443 0.487 1.00 0.00 H new ATOM 0 HA VAL A 49 8.204 3.899 2.704 1.00 0.00 H new ATOM 0 HB VAL A 49 6.032 3.123 1.760 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.213 4.281 -0.404 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.074 5.153 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.987 4.191 -0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.013 1.820 -0.328 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.779 1.628 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.727 0.901 1.018 1.00 0.00 H new ATOM 710 N HIS A 50 7.057 2.042 4.115 1.00 0.00 N ATOM 711 CA HIS A 50 6.755 1.026 5.117 1.00 0.00 C ATOM 712 C HIS A 50 5.272 0.668 5.098 1.00 0.00 C ATOM 713 O HIS A 50 4.423 1.481 5.462 1.00 0.00 O ATOM 714 CB HIS A 50 7.155 1.517 6.508 1.00 0.00 C ATOM 715 CG HIS A 50 8.583 1.959 6.600 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.344 2.678 5.741 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.395 1.665 7.676 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.589 2.803 6.308 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.593 2.184 7.475 1.00 0.00 N flip ATOM 0 H HIS A 50 6.555 2.921 4.242 1.00 0.00 H new ATOM 0 HA HIS A 50 7.330 0.132 4.876 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.508 2.347 6.791 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.983 0.718 7.229 1.00 0.00 H new ATOM 0 HD2 HIS A 50 9.098 1.099 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.428 3.323 5.871 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.386 2.118 8.113 1.00 0.00 H new ATOM 727 N ILE A 51 4.969 -0.553 4.669 1.00 0.00 N ATOM 728 CA ILE A 51 3.589 -1.017 4.602 1.00 0.00 C ATOM 729 C ILE A 51 3.167 -1.676 5.911 1.00 0.00 C ATOM 730 O ILE A 51 3.934 -2.423 6.518 1.00 0.00 O ATOM 731 CB ILE A 51 3.387 -2.018 3.449 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.908 -1.429 2.136 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.917 -2.390 3.322 1.00 0.00 C ATOM 734 CD1 ILE A 51 4.329 -2.476 1.129 1.00 0.00 C ATOM 0 H ILE A 51 5.660 -1.238 4.363 1.00 0.00 H new ATOM 0 HA ILE A 51 2.969 -0.139 4.423 1.00 0.00 H new ATOM 0 HB ILE A 51 3.953 -2.923 3.670 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.132 -0.803 1.695 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.757 -0.780 2.350 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.790 -3.098 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.575 -2.845 4.251 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.331 -1.493 3.120 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.687 -1.987 0.223 1.00 0.00 H new ATOM 0 HD12 ILE A 51 5.127 -3.087 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.477 -3.110 0.886 1.00 0.00 H new ATOM 746 N HIS A 52 1.941 -1.395 6.340 1.00 0.00 N ATOM 747 CA HIS A 52 1.415 -1.962 7.578 1.00 0.00 C ATOM 748 C HIS A 52 0.345 -3.009 7.282 1.00 0.00 C ATOM 749 O HIS A 52 -0.696 -2.702 6.701 1.00 0.00 O ATOM 750 CB HIS A 52 0.835 -0.858 8.463 1.00 0.00 C ATOM 751 CG HIS A 52 1.870 -0.115 9.249 1.00 0.00 C ATOM 752 ND1 HIS A 52 1.941 -0.152 10.625 1.00 0.00 N ATOM 753 CD2 HIS A 52 2.883 0.688 8.843 1.00 0.00 C ATOM 754 CE1 HIS A 52 2.950 0.596 11.032 1.00 0.00 C ATOM 755 NE2 HIS A 52 3.538 1.118 9.970 1.00 0.00 N ATOM 0 H HIS A 52 1.293 -0.779 5.850 1.00 0.00 H new ATOM 0 HA HIS A 52 2.236 -2.446 8.106 1.00 0.00 H new ATOM 0 HB2 HIS A 52 0.289 -0.152 7.838 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.114 -1.297 9.152 1.00 0.00 H new ATOM 0 HD2 HIS A 52 3.129 0.942 7.823 1.00 0.00 H new ATOM 0 HE1 HIS A 52 3.245 0.754 12.059 1.00 0.00 H new ATOM 0 HE2 HIS A 52 4.347 1.739 9.985 1.00 0.00 H new ATOM 763 N PHE A 53 0.609 -4.247 7.687 1.00 0.00 N ATOM 764 CA PHE A 53 -0.330 -5.340 7.465 1.00 0.00 C ATOM 765 C PHE A 53 -0.827 -5.909 8.791 1.00 0.00 C ATOM 766 O PHE A 53 -0.072 -6.500 9.564 1.00 0.00 O ATOM 767 CB PHE A 53 0.329 -6.446 6.638 1.00 0.00 C ATOM 768 CG PHE A 53 0.192 -6.248 5.156 1.00 0.00 C ATOM 769 CD1 PHE A 53 -0.989 -6.572 4.506 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.243 -5.738 4.411 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.116 -6.392 3.141 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.121 -5.555 3.047 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.061 -5.881 2.411 1.00 0.00 C ATOM 0 H PHE A 53 1.465 -4.518 8.170 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.185 -4.945 6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.387 -6.498 6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -0.112 -7.405 6.911 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.819 -6.969 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.169 -5.480 4.903 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.040 -6.651 2.646 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.949 -5.157 2.479 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.160 -5.737 1.345 1.00 0.00 H new ATOM 783 N PRO A 54 -2.127 -5.724 9.064 1.00 0.00 N ATOM 784 CA PRO A 54 -2.755 -6.210 10.296 1.00 0.00 C ATOM 785 C PRO A 54 -2.862 -7.731 10.331 1.00 0.00 C ATOM 786 O PRO A 54 -3.002 -8.378 9.293 1.00 0.00 O ATOM 787 CB PRO A 54 -4.147 -5.576 10.259 1.00 0.00 C ATOM 788 CG PRO A 54 -4.417 -5.339 8.813 1.00 0.00 C ATOM 789 CD PRO A 54 -3.085 -5.027 8.189 1.00 0.00 C ATOM 0 HA PRO A 54 -2.175 -5.946 11.181 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.895 -6.236 10.698 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -4.173 -4.645 10.824 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.868 -6.217 8.351 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.115 -4.513 8.677 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.028 -5.388 7.162 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.896 -3.954 8.160 1.00 0.00 H new ATOM 797 N VAL A 55 -2.796 -8.298 11.532 1.00 0.00 N ATOM 798 CA VAL A 55 -2.888 -9.742 11.702 1.00 0.00 C ATOM 799 C VAL A 55 -4.162 -10.290 11.071 1.00 0.00 C ATOM 800 O VAL A 55 -5.216 -9.658 11.130 1.00 0.00 O ATOM 801 CB VAL A 55 -2.854 -10.135 13.190 1.00 0.00 C ATOM 802 CG1 VAL A 55 -3.016 -11.640 13.349 1.00 0.00 C ATOM 803 CG2 VAL A 55 -1.565 -9.658 13.840 1.00 0.00 C ATOM 0 H VAL A 55 -2.679 -7.778 12.402 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.023 -10.175 11.200 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.689 -9.648 13.694 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.989 -11.899 14.407 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.970 -11.950 12.923 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.204 -12.150 12.830 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.560 -9.945 14.891 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.713 -10.113 13.335 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.497 -8.573 13.760 1.00 0.00 H new ATOM 813 N GLU A 56 -4.058 -11.470 10.469 1.00 0.00 N ATOM 814 CA GLU A 56 -5.205 -12.103 9.825 1.00 0.00 C ATOM 815 C GLU A 56 -6.293 -12.422 10.846 1.00 0.00 C ATOM 816 O GLU A 56 -7.484 -12.320 10.553 1.00 0.00 O ATOM 817 CB GLU A 56 -4.772 -13.384 9.108 1.00 0.00 C ATOM 818 CG GLU A 56 -4.200 -14.439 10.040 1.00 0.00 C ATOM 819 CD GLU A 56 -4.036 -15.787 9.363 1.00 0.00 C ATOM 820 OE1 GLU A 56 -3.059 -15.956 8.604 1.00 0.00 O ATOM 821 OE2 GLU A 56 -4.886 -16.673 9.593 1.00 0.00 O ATOM 0 H GLU A 56 -3.193 -12.007 10.413 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.610 -11.405 9.093 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.629 -13.803 8.581 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.026 -13.134 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.232 -14.103 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.854 -14.548 10.905 1.00 0.00 H new ATOM 828 N GLY A 57 -5.874 -12.809 12.048 1.00 0.00 N ATOM 829 CA GLY A 57 -6.825 -13.137 13.094 1.00 0.00 C ATOM 830 C GLY A 57 -7.795 -12.006 13.373 1.00 0.00 C ATOM 831 O GLY A 57 -9.010 -12.201 13.351 1.00 0.00 O ATOM 0 H GLY A 57 -4.894 -12.901 12.315 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.384 -14.028 12.806 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.284 -13.381 14.008 1.00 0.00 H new ATOM 835 N SER A 58 -7.256 -10.819 13.636 1.00 0.00 N ATOM 836 CA SER A 58 -8.083 -9.652 13.925 1.00 0.00 C ATOM 837 C SER A 58 -9.193 -9.501 12.889 1.00 0.00 C ATOM 838 O SER A 58 -10.349 -9.266 13.232 1.00 0.00 O ATOM 839 CB SER A 58 -7.223 -8.387 13.958 1.00 0.00 C ATOM 840 OG SER A 58 -8.030 -7.223 13.959 1.00 0.00 O ATOM 0 H SER A 58 -6.252 -10.640 13.655 1.00 0.00 H new ATOM 0 HA SER A 58 -8.542 -9.796 14.903 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.591 -8.396 14.846 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.559 -8.372 13.094 1.00 0.00 H new ATOM 0 HG SER A 58 -7.457 -6.428 13.982 1.00 0.00 H new ATOM 846 N GLY A 59 -8.828 -9.638 11.617 1.00 0.00 N ATOM 847 CA GLY A 59 -9.802 -9.513 10.549 1.00 0.00 C ATOM 848 C GLY A 59 -9.849 -8.113 9.968 1.00 0.00 C ATOM 849 O GLY A 59 -10.910 -7.637 9.565 1.00 0.00 O ATOM 0 H GLY A 59 -7.876 -9.833 11.308 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.562 -10.224 9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.789 -9.779 10.928 1.00 0.00 H new ATOM 853 N SER A 60 -8.697 -7.452 9.925 1.00 0.00 N ATOM 854 CA SER A 60 -8.613 -6.097 9.395 1.00 0.00 C ATOM 855 C SER A 60 -8.059 -6.104 7.973 1.00 0.00 C ATOM 856 O SER A 60 -6.932 -6.539 7.737 1.00 0.00 O ATOM 857 CB SER A 60 -7.730 -5.229 10.294 1.00 0.00 C ATOM 858 OG SER A 60 -7.675 -3.895 9.819 1.00 0.00 O ATOM 0 H SER A 60 -7.809 -7.833 10.251 1.00 0.00 H new ATOM 0 HA SER A 60 -9.619 -5.678 9.373 1.00 0.00 H new ATOM 0 HB2 SER A 60 -8.120 -5.240 11.312 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.724 -5.646 10.333 1.00 0.00 H new ATOM 0 HG SER A 60 -7.106 -3.360 10.411 1.00 0.00 H new ATOM 864 N ASP A 61 -8.860 -5.619 7.031 1.00 0.00 N ATOM 865 CA ASP A 61 -8.451 -5.567 5.632 1.00 0.00 C ATOM 866 C ASP A 61 -8.010 -4.159 5.246 1.00 0.00 C ATOM 867 O ASP A 61 -8.299 -3.685 4.147 1.00 0.00 O ATOM 868 CB ASP A 61 -9.596 -6.022 4.727 1.00 0.00 C ATOM 869 CG ASP A 61 -10.932 -5.436 5.143 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.619 -6.059 5.979 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.290 -4.354 4.632 1.00 0.00 O ATOM 0 H ASP A 61 -9.796 -5.256 7.210 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.605 -6.241 5.502 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.380 -5.732 3.699 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -9.659 -7.110 4.745 1.00 0.00 H new ATOM 876 N THR A 62 -7.310 -3.493 6.159 1.00 0.00 N ATOM 877 CA THR A 62 -6.831 -2.138 5.916 1.00 0.00 C ATOM 878 C THR A 62 -5.308 -2.088 5.900 1.00 0.00 C ATOM 879 O THR A 62 -4.659 -2.280 6.929 1.00 0.00 O ATOM 880 CB THR A 62 -7.354 -1.157 6.982 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.786 -1.158 6.988 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.845 0.252 6.719 1.00 0.00 C ATOM 0 H THR A 62 -7.062 -3.870 7.074 1.00 0.00 H new ATOM 0 HA THR A 62 -7.212 -1.839 4.940 1.00 0.00 H new ATOM 0 HB THR A 62 -6.986 -1.483 7.955 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.111 -0.533 7.670 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.228 0.926 7.485 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.755 0.256 6.744 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.186 0.585 5.739 1.00 0.00 H new ATOM 890 N VAL A 63 -4.741 -1.827 4.726 1.00 0.00 N ATOM 891 CA VAL A 63 -3.293 -1.749 4.576 1.00 0.00 C ATOM 892 C VAL A 63 -2.824 -0.300 4.513 1.00 0.00 C ATOM 893 O VAL A 63 -2.934 0.354 3.476 1.00 0.00 O ATOM 894 CB VAL A 63 -2.819 -2.487 3.310 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.318 -2.324 3.127 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.200 -3.957 3.376 1.00 0.00 C ATOM 0 H VAL A 63 -5.263 -1.666 3.865 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.858 -2.230 5.452 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.316 -2.046 2.446 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.002 -2.852 2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.076 -1.266 3.030 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.799 -2.737 3.992 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.857 -4.463 2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.733 -4.415 4.248 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.283 -4.049 3.454 1.00 0.00 H new ATOM 906 N VAL A 64 -2.299 0.196 5.629 1.00 0.00 N ATOM 907 CA VAL A 64 -1.811 1.568 5.701 1.00 0.00 C ATOM 908 C VAL A 64 -0.347 1.653 5.284 1.00 0.00 C ATOM 909 O VAL A 64 0.516 1.006 5.877 1.00 0.00 O ATOM 910 CB VAL A 64 -1.963 2.144 7.122 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.438 3.570 7.178 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.415 2.084 7.568 1.00 0.00 C ATOM 0 H VAL A 64 -2.201 -0.332 6.496 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.417 2.156 5.012 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.371 1.537 7.807 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.553 3.961 8.189 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.383 3.580 6.903 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.001 4.192 6.482 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.504 2.495 8.574 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -4.031 2.666 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.753 1.048 7.568 1.00 0.00 H new ATOM 922 N ILE A 65 -0.076 2.454 4.259 1.00 0.00 N ATOM 923 CA ILE A 65 1.284 2.626 3.762 1.00 0.00 C ATOM 924 C ILE A 65 1.825 4.009 4.108 1.00 0.00 C ATOM 925 O ILE A 65 1.145 5.018 3.919 1.00 0.00 O ATOM 926 CB ILE A 65 1.356 2.425 2.237 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.812 1.046 1.857 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.787 2.589 1.749 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.563 0.884 0.373 1.00 0.00 C ATOM 0 H ILE A 65 -0.780 2.994 3.756 1.00 0.00 H new ATOM 0 HA ILE A 65 1.896 1.867 4.249 1.00 0.00 H new ATOM 0 HB ILE A 65 0.739 3.184 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.518 0.283 2.184 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.120 0.871 2.395 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.822 2.444 0.669 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.142 3.590 1.992 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.424 1.850 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.178 -0.117 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.166 1.624 0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.497 1.027 -0.170 1.00 0.00 H new ATOM 941 N ARG A 66 3.054 4.048 4.614 1.00 0.00 N ATOM 942 CA ARG A 66 3.687 5.308 4.985 1.00 0.00 C ATOM 943 C ARG A 66 4.940 5.553 4.149 1.00 0.00 C ATOM 944 O ARG A 66 5.687 4.624 3.843 1.00 0.00 O ATOM 945 CB ARG A 66 4.047 5.303 6.472 1.00 0.00 C ATOM 946 CG ARG A 66 2.939 5.832 7.368 1.00 0.00 C ATOM 947 CD ARG A 66 3.064 5.297 8.786 1.00 0.00 C ATOM 948 NE ARG A 66 2.319 4.053 8.968 1.00 0.00 N ATOM 949 CZ ARG A 66 1.029 4.010 9.279 1.00 0.00 C ATOM 950 NH1 ARG A 66 0.343 5.133 9.440 1.00 0.00 N ATOM 951 NH2 ARG A 66 0.420 2.840 9.429 1.00 0.00 N ATOM 0 H ARG A 66 3.630 3.222 4.776 1.00 0.00 H new ATOM 0 HA ARG A 66 2.978 6.113 4.792 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.293 4.285 6.774 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.943 5.905 6.622 1.00 0.00 H new ATOM 0 HG2 ARG A 66 2.973 6.921 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.970 5.549 6.956 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.115 5.128 9.018 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.699 6.045 9.490 1.00 0.00 H new ATOM 0 HE ARG A 66 2.817 3.171 8.850 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.806 6.034 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.648 5.096 9.679 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.943 1.973 9.305 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -0.571 2.808 9.668 1.00 0.00 H new ATOM 965 N GLY A 67 5.164 6.811 3.782 1.00 0.00 N ATOM 966 CA GLY A 67 6.325 7.157 2.985 1.00 0.00 C ATOM 967 C GLY A 67 6.035 8.256 1.983 1.00 0.00 C ATOM 968 O GLY A 67 4.984 8.896 2.019 1.00 0.00 O ATOM 0 H GLY A 67 4.561 7.597 4.023 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.133 7.475 3.644 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.676 6.271 2.456 1.00 0.00 H new ATOM 972 N PRO A 68 6.982 8.490 1.062 1.00 0.00 N ATOM 973 CA PRO A 68 6.847 9.521 0.030 1.00 0.00 C ATOM 974 C PRO A 68 5.788 9.165 -1.010 1.00 0.00 C ATOM 975 O PRO A 68 5.946 8.206 -1.765 1.00 0.00 O ATOM 976 CB PRO A 68 8.235 9.564 -0.614 1.00 0.00 C ATOM 977 CG PRO A 68 8.809 8.212 -0.367 1.00 0.00 C ATOM 978 CD PRO A 68 8.261 7.765 0.960 1.00 0.00 C ATOM 0 HA PRO A 68 6.527 10.475 0.448 1.00 0.00 H new ATOM 0 HB2 PRO A 68 8.170 9.778 -1.681 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.854 10.344 -0.170 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.528 7.518 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.898 8.248 -0.347 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.115 6.685 0.991 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.934 8.019 1.779 1.00 0.00 H new ATOM 986 N SER A 69 4.712 9.943 -1.041 1.00 0.00 N ATOM 987 CA SER A 69 3.625 9.707 -1.985 1.00 0.00 C ATOM 988 C SER A 69 4.167 9.222 -3.326 1.00 0.00 C ATOM 989 O SER A 69 3.822 8.135 -3.793 1.00 0.00 O ATOM 990 CB SER A 69 2.808 10.984 -2.185 1.00 0.00 C ATOM 991 OG SER A 69 3.638 12.064 -2.581 1.00 0.00 O ATOM 0 H SER A 69 4.569 10.742 -0.424 1.00 0.00 H new ATOM 0 HA SER A 69 2.979 8.932 -1.571 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.041 10.814 -2.941 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.292 11.238 -1.259 1.00 0.00 H new ATOM 0 HG SER A 69 3.092 12.868 -2.704 1.00 0.00 H new ATOM 997 N SER A 70 5.020 10.035 -3.943 1.00 0.00 N ATOM 998 CA SER A 70 5.608 9.692 -5.232 1.00 0.00 C ATOM 999 C SER A 70 5.835 8.187 -5.342 1.00 0.00 C ATOM 1000 O SER A 70 5.541 7.578 -6.371 1.00 0.00 O ATOM 1001 CB SER A 70 6.931 10.435 -5.426 1.00 0.00 C ATOM 1002 OG SER A 70 6.710 11.806 -5.708 1.00 0.00 O ATOM 0 H SER A 70 5.319 10.936 -3.570 1.00 0.00 H new ATOM 0 HA SER A 70 4.912 9.995 -6.014 1.00 0.00 H new ATOM 0 HB2 SER A 70 7.541 10.339 -4.527 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.492 9.979 -6.242 1.00 0.00 H new ATOM 0 HG SER A 70 7.571 12.259 -5.826 1.00 0.00 H new ATOM 1008 N ASP A 71 6.360 7.595 -4.276 1.00 0.00 N ATOM 1009 CA ASP A 71 6.626 6.162 -4.250 1.00 0.00 C ATOM 1010 C ASP A 71 5.386 5.387 -3.816 1.00 0.00 C ATOM 1011 O ASP A 71 5.030 4.375 -4.422 1.00 0.00 O ATOM 1012 CB ASP A 71 7.791 5.854 -3.309 1.00 0.00 C ATOM 1013 CG ASP A 71 9.087 6.496 -3.762 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.616 6.085 -4.816 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.572 7.410 -3.064 1.00 0.00 O ATOM 0 H ASP A 71 6.610 8.086 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 71 6.893 5.849 -5.259 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.547 6.204 -2.306 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.927 4.774 -3.245 1.00 0.00 H new ATOM 1020 N VAL A 72 4.734 5.866 -2.763 1.00 0.00 N ATOM 1021 CA VAL A 72 3.533 5.218 -2.247 1.00 0.00 C ATOM 1022 C VAL A 72 2.560 4.887 -3.374 1.00 0.00 C ATOM 1023 O VAL A 72 2.055 3.769 -3.461 1.00 0.00 O ATOM 1024 CB VAL A 72 2.819 6.105 -1.210 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.617 5.379 -0.625 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.785 6.525 -0.113 1.00 0.00 C ATOM 0 H VAL A 72 5.016 6.701 -2.249 1.00 0.00 H new ATOM 0 HA VAL A 72 3.853 4.294 -1.765 1.00 0.00 H new ATOM 0 HB VAL A 72 2.462 7.005 -1.711 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.125 6.021 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.916 5.134 -1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.948 4.462 -0.138 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.263 7.151 0.611 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.174 5.639 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.610 7.087 -0.550 1.00 0.00 H new ATOM 1036 N GLU A 73 2.303 5.868 -4.233 1.00 0.00 N ATOM 1037 CA GLU A 73 1.390 5.679 -5.354 1.00 0.00 C ATOM 1038 C GLU A 73 1.786 4.459 -6.179 1.00 0.00 C ATOM 1039 O GLU A 73 0.939 3.807 -6.791 1.00 0.00 O ATOM 1040 CB GLU A 73 1.373 6.926 -6.241 1.00 0.00 C ATOM 1041 CG GLU A 73 2.630 7.093 -7.079 1.00 0.00 C ATOM 1042 CD GLU A 73 2.365 7.806 -8.391 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.306 7.550 -9.002 1.00 0.00 O ATOM 1044 OE2 GLU A 73 3.216 8.620 -8.807 1.00 0.00 O ATOM 0 H GLU A 73 2.713 6.800 -4.174 1.00 0.00 H new ATOM 0 HA GLU A 73 0.390 5.514 -4.952 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.508 6.879 -6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.246 7.807 -5.612 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.371 7.653 -6.508 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.059 6.112 -7.283 1.00 0.00 H new ATOM 1051 N LYS A 74 3.079 4.156 -6.193 1.00 0.00 N ATOM 1052 CA LYS A 74 3.590 3.014 -6.942 1.00 0.00 C ATOM 1053 C LYS A 74 3.456 1.728 -6.133 1.00 0.00 C ATOM 1054 O LYS A 74 3.164 0.666 -6.683 1.00 0.00 O ATOM 1055 CB LYS A 74 5.056 3.240 -7.320 1.00 0.00 C ATOM 1056 CG LYS A 74 5.264 4.390 -8.291 1.00 0.00 C ATOM 1057 CD LYS A 74 6.690 4.427 -8.814 1.00 0.00 C ATOM 1058 CE LYS A 74 7.047 5.801 -9.360 1.00 0.00 C ATOM 1059 NZ LYS A 74 7.478 6.732 -8.280 1.00 0.00 N ATOM 0 H LYS A 74 3.793 4.686 -5.694 1.00 0.00 H new ATOM 0 HA LYS A 74 2.997 2.914 -7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.631 3.432 -6.414 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.454 2.326 -7.762 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.571 4.291 -9.127 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.033 5.333 -7.795 1.00 0.00 H new ATOM 0 HD2 LYS A 74 7.380 4.162 -8.013 1.00 0.00 H new ATOM 0 HD3 LYS A 74 6.811 3.680 -9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.846 5.703 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.185 6.221 -9.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.841 7.610 -8.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 6.667 6.952 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.228 6.285 -7.715 1.00 0.00 H new ATOM 1073 N ALA A 75 3.667 1.832 -4.825 1.00 0.00 N ATOM 1074 CA ALA A 75 3.566 0.679 -3.940 1.00 0.00 C ATOM 1075 C ALA A 75 2.124 0.193 -3.835 1.00 0.00 C ATOM 1076 O ALA A 75 1.867 -1.007 -3.738 1.00 0.00 O ATOM 1077 CB ALA A 75 4.112 1.020 -2.563 1.00 0.00 C ATOM 0 H ALA A 75 3.909 2.704 -4.355 1.00 0.00 H new ATOM 0 HA ALA A 75 4.164 -0.127 -4.365 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.030 0.149 -1.913 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.159 1.311 -2.649 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.539 1.845 -2.139 1.00 0.00 H new ATOM 1083 N LYS A 76 1.185 1.133 -3.852 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.232 0.802 -3.759 1.00 0.00 C ATOM 1085 C LYS A 76 -0.719 0.127 -5.037 1.00 0.00 C ATOM 1086 O LYS A 76 -1.310 -0.952 -4.995 1.00 0.00 O ATOM 1087 CB LYS A 76 -1.055 2.065 -3.491 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.540 1.798 -3.321 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.369 3.030 -3.642 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.851 2.783 -3.404 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.687 3.914 -3.896 1.00 0.00 N ATOM 0 H LYS A 76 1.380 2.131 -3.929 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.363 0.107 -2.930 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.677 2.551 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.912 2.764 -4.315 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.840 0.977 -3.972 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.739 1.481 -2.297 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.035 3.865 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.209 3.316 -4.681 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -5.151 1.864 -3.907 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.028 2.637 -2.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.690 3.708 -3.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.418 4.787 -3.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.537 4.038 -4.918 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.465 0.769 -6.173 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.874 0.230 -7.464 1.00 0.00 C ATOM 1107 C LYS A 77 -0.287 -1.160 -7.684 1.00 0.00 C ATOM 1108 O LYS A 77 -0.881 -1.992 -8.369 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.435 1.165 -8.592 1.00 0.00 C ATOM 1110 CG LYS A 77 1.015 0.983 -9.004 1.00 0.00 C ATOM 1111 CD LYS A 77 1.372 1.860 -10.192 1.00 0.00 C ATOM 1112 CE LYS A 77 2.819 1.662 -10.617 1.00 0.00 C ATOM 1113 NZ LYS A 77 2.987 0.449 -11.464 1.00 0.00 N ATOM 0 H LYS A 77 0.022 1.664 -6.225 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.961 0.151 -7.469 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.074 0.999 -9.459 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.587 2.197 -8.277 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.666 1.225 -8.164 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.194 -0.062 -9.256 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.711 1.629 -11.028 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.207 2.906 -9.936 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.159 2.539 -11.167 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.449 1.577 -9.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.987 0.349 -11.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.686 -0.391 -10.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.405 0.541 -12.321 1.00 0.00 H new ATOM 1127 N GLN A 78 0.881 -1.404 -7.099 1.00 0.00 N ATOM 1128 CA GLN A 78 1.547 -2.694 -7.230 1.00 0.00 C ATOM 1129 C GLN A 78 0.827 -3.765 -6.418 1.00 0.00 C ATOM 1130 O GLN A 78 0.666 -4.899 -6.870 1.00 0.00 O ATOM 1131 CB GLN A 78 3.005 -2.588 -6.779 1.00 0.00 C ATOM 1132 CG GLN A 78 3.944 -2.091 -7.866 1.00 0.00 C ATOM 1133 CD GLN A 78 5.369 -1.925 -7.376 1.00 0.00 C ATOM 1134 OE1 GLN A 78 6.218 -2.790 -7.594 1.00 0.00 O ATOM 1135 NE2 GLN A 78 5.640 -0.810 -6.708 1.00 0.00 N ATOM 0 H GLN A 78 1.386 -0.725 -6.529 1.00 0.00 H new ATOM 0 HA GLN A 78 1.520 -2.983 -8.281 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.064 -1.915 -5.924 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.343 -3.567 -6.438 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.930 -2.792 -8.701 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.581 -1.136 -8.246 1.00 0.00 H new ATOM 0 HE21 GLN A 78 4.906 -0.119 -6.550 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.582 -0.644 -6.353 1.00 0.00 H new ATOM 1144 N LEU A 79 0.396 -3.397 -5.216 1.00 0.00 N ATOM 1145 CA LEU A 79 -0.307 -4.327 -4.339 1.00 0.00 C ATOM 1146 C LEU A 79 -1.655 -4.723 -4.933 1.00 0.00 C ATOM 1147 O LEU A 79 -2.091 -5.867 -4.799 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.511 -3.700 -2.958 1.00 0.00 C ATOM 1149 CG LEU A 79 -0.545 -4.673 -1.778 1.00 0.00 C ATOM 1150 CD1 LEU A 79 0.857 -4.904 -1.237 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -1.463 -4.151 -0.682 1.00 0.00 C ATOM 0 H LEU A 79 0.521 -2.462 -4.827 1.00 0.00 H new ATOM 0 HA LEU A 79 0.303 -5.225 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.289 -2.980 -2.786 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.447 -3.141 -2.969 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.938 -5.627 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.813 -5.599 -0.398 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.486 -5.323 -2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.278 -3.956 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.475 -4.856 0.149 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.100 -3.184 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.473 -4.038 -1.076 1.00 0.00 H new ATOM 1163 N LEU A 80 -2.307 -3.773 -5.593 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.604 -4.023 -6.211 1.00 0.00 C ATOM 1165 C LEU A 80 -3.489 -5.071 -7.314 1.00 0.00 C ATOM 1166 O LEU A 80 -4.325 -5.969 -7.421 1.00 0.00 O ATOM 1167 CB LEU A 80 -4.177 -2.725 -6.783 1.00 0.00 C ATOM 1168 CG LEU A 80 -5.052 -1.903 -5.836 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -4.196 -1.187 -4.804 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.893 -0.904 -6.619 1.00 0.00 C ATOM 0 H LEU A 80 -1.959 -2.822 -5.714 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.278 -4.403 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.348 -2.100 -7.114 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.764 -2.970 -7.668 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.724 -2.583 -5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.836 -0.607 -4.139 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.638 -1.921 -4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.499 -0.519 -5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.509 -0.328 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.238 -0.230 -7.170 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.535 -1.439 -7.319 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.447 -4.952 -8.129 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.221 -5.891 -9.222 1.00 0.00 C ATOM 1184 C HIS A 81 -1.940 -7.292 -8.686 1.00 0.00 C ATOM 1185 O HIS A 81 -2.659 -8.242 -8.997 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.053 -5.422 -10.092 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.065 -6.001 -11.473 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.190 -6.021 -12.271 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.081 -6.581 -12.199 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.897 -6.590 -13.427 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.623 -6.938 -13.408 1.00 0.00 N ATOM 0 H HIS A 81 -1.746 -4.215 -8.054 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.126 -5.928 -9.829 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.077 -4.335 -10.163 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.116 -5.689 -9.603 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.941 -6.734 -11.885 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.582 -6.744 -14.247 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.123 -7.398 -14.169 1.00 0.00 H new ATOM 1199 N LEU A 82 -0.891 -7.412 -7.880 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.516 -8.697 -7.300 1.00 0.00 C ATOM 1201 C LEU A 82 -1.670 -9.291 -6.499 1.00 0.00 C ATOM 1202 O LEU A 82 -2.067 -10.435 -6.718 1.00 0.00 O ATOM 1203 CB LEU A 82 0.712 -8.534 -6.403 1.00 0.00 C ATOM 1204 CG LEU A 82 1.891 -7.774 -7.011 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.805 -7.244 -5.917 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.665 -8.667 -7.970 1.00 0.00 C ATOM 0 H LEU A 82 -0.285 -6.636 -7.613 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.275 -9.380 -8.115 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.406 -8.021 -5.492 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.057 -9.525 -6.110 1.00 0.00 H new ATOM 0 HG LEU A 82 1.501 -6.925 -7.573 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.639 -6.706 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.245 -6.569 -5.270 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.188 -8.077 -5.327 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.500 -8.109 -8.393 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.044 -9.536 -7.432 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.005 -8.997 -8.773 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.206 -8.505 -5.571 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.317 -8.952 -4.740 1.00 0.00 C ATOM 1220 C ALA A 83 -4.244 -9.882 -5.516 1.00 0.00 C ATOM 1221 O ALA A 83 -4.495 -11.011 -5.098 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.092 -7.756 -4.208 1.00 0.00 C ATOM 0 H ALA A 83 -1.889 -7.555 -5.376 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.907 -9.510 -3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.919 -8.104 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.430 -7.130 -3.610 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.484 -7.175 -5.043 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.748 -9.399 -6.647 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.648 -10.188 -7.480 1.00 0.00 C ATOM 1230 C GLU A 84 -4.869 -11.199 -8.316 1.00 0.00 C ATOM 1231 O GLU A 84 -5.272 -12.355 -8.445 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.465 -9.274 -8.395 1.00 0.00 C ATOM 1233 CG GLU A 84 -7.285 -8.238 -7.645 1.00 0.00 C ATOM 1234 CD GLU A 84 -8.608 -8.788 -7.150 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -9.180 -9.664 -7.831 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -9.072 -8.342 -6.079 1.00 0.00 O ATOM 0 H GLU A 84 -4.549 -8.466 -7.007 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.327 -10.732 -6.823 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.790 -8.763 -9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -7.134 -9.885 -9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.709 -7.869 -6.796 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.472 -7.386 -8.298 1.00 0.00 H new ATOM 1243 N GLU A 85 -3.752 -10.754 -8.884 1.00 0.00 N ATOM 1244 CA GLU A 85 -2.918 -11.620 -9.709 1.00 0.00 C ATOM 1245 C GLU A 85 -2.926 -13.050 -9.177 1.00 0.00 C ATOM 1246 O GLU A 85 -3.376 -13.974 -9.855 1.00 0.00 O ATOM 1247 CB GLU A 85 -1.483 -11.089 -9.754 1.00 0.00 C ATOM 1248 CG GLU A 85 -0.791 -11.321 -11.087 1.00 0.00 C ATOM 1249 CD GLU A 85 -0.090 -12.663 -11.155 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -0.752 -13.662 -11.508 1.00 0.00 O ATOM 1251 OE2 GLU A 85 1.121 -12.715 -10.855 1.00 0.00 O ATOM 0 H GLU A 85 -3.404 -9.800 -8.788 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.329 -11.624 -10.719 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.493 -10.020 -9.540 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -0.903 -11.567 -8.965 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.526 -11.258 -11.889 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.064 -10.527 -11.258 1.00 0.00 H new ATOM 1258 N LYS A 86 -2.423 -13.226 -7.960 1.00 0.00 N ATOM 1259 CA LYS A 86 -2.372 -14.543 -7.336 1.00 0.00 C ATOM 1260 C LYS A 86 -3.640 -15.336 -7.633 1.00 0.00 C ATOM 1261 O LYS A 86 -3.575 -16.483 -8.076 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.187 -14.405 -5.823 1.00 0.00 C ATOM 1263 CG LYS A 86 -0.942 -13.629 -5.430 1.00 0.00 C ATOM 1264 CD LYS A 86 0.324 -14.353 -5.858 1.00 0.00 C ATOM 1265 CE LYS A 86 1.569 -13.554 -5.506 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.992 -13.779 -4.096 1.00 0.00 N ATOM 0 H LYS A 86 -2.045 -12.473 -7.386 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.522 -15.083 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.062 -13.909 -5.402 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.140 -15.399 -5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.969 -12.640 -5.887 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.930 -13.481 -4.350 1.00 0.00 H new ATOM 0 HD2 LYS A 86 0.368 -15.329 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 86 0.297 -14.531 -6.933 1.00 0.00 H new ATOM 0 HE2 LYS A 86 2.381 -13.832 -6.178 1.00 0.00 H new ATOM 0 HE3 LYS A 86 1.376 -12.493 -5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.322 -12.882 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.186 -14.137 -3.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 2.764 -14.475 -4.072 1.00 0.00 H new ATOM 1280 N GLN A 87 -4.791 -14.716 -7.391 1.00 0.00 N ATOM 1281 CA GLN A 87 -6.073 -15.366 -7.634 1.00 0.00 C ATOM 1282 C GLN A 87 -6.158 -15.885 -9.066 1.00 0.00 C ATOM 1283 O GLN A 87 -5.390 -15.470 -9.935 1.00 0.00 O ATOM 1284 CB GLN A 87 -7.222 -14.392 -7.363 1.00 0.00 C ATOM 1285 CG GLN A 87 -7.307 -13.940 -5.914 1.00 0.00 C ATOM 1286 CD GLN A 87 -8.622 -13.258 -5.593 1.00 0.00 C ATOM 1287 OE1 GLN A 87 -9.665 -13.906 -5.501 1.00 0.00 O ATOM 1288 NE2 GLN A 87 -8.579 -11.942 -5.419 1.00 0.00 N ATOM 0 H GLN A 87 -4.862 -13.766 -7.027 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.156 -16.214 -6.954 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -7.104 -13.517 -8.002 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -8.163 -14.866 -7.643 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.180 -14.803 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -6.486 -13.256 -5.702 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.692 -11.445 -5.505 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.433 -11.428 -5.200 1.00 0.00 H new ATOM 1297 N THR A 88 -7.095 -16.796 -9.306 1.00 0.00 N ATOM 1298 CA THR A 88 -7.279 -17.372 -10.631 1.00 0.00 C ATOM 1299 C THR A 88 -8.089 -16.444 -11.528 1.00 0.00 C ATOM 1300 O THR A 88 -8.006 -16.518 -12.753 1.00 0.00 O ATOM 1301 CB THR A 88 -7.986 -18.739 -10.556 1.00 0.00 C ATOM 1302 OG1 THR A 88 -8.195 -19.256 -11.876 1.00 0.00 O ATOM 1303 CG2 THR A 88 -9.320 -18.620 -9.836 1.00 0.00 C ATOM 0 H THR A 88 -7.739 -17.151 -8.599 1.00 0.00 H new ATOM 0 HA THR A 88 -6.285 -17.507 -11.057 1.00 0.00 H new ATOM 0 HB THR A 88 -7.348 -19.422 -9.995 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.643 -20.126 -11.820 1.00 0.00 H new ATOM 0 HG21 THR A 88 -9.800 -19.598 -9.796 1.00 0.00 H new ATOM 0 HG22 THR A 88 -9.155 -18.255 -8.822 1.00 0.00 H new ATOM 0 HG23 THR A 88 -9.962 -17.922 -10.373 1.00 0.00 H new ATOM 1311 N LYS A 89 -8.873 -15.567 -10.910 1.00 0.00 N ATOM 1312 CA LYS A 89 -9.697 -14.620 -11.651 1.00 0.00 C ATOM 1313 C LYS A 89 -9.299 -13.183 -11.330 1.00 0.00 C ATOM 1314 O LYS A 89 -8.793 -12.897 -10.244 1.00 0.00 O ATOM 1315 CB LYS A 89 -11.177 -14.835 -11.322 1.00 0.00 C ATOM 1316 CG LYS A 89 -12.111 -14.477 -12.466 1.00 0.00 C ATOM 1317 CD LYS A 89 -13.547 -14.341 -11.989 1.00 0.00 C ATOM 1318 CE LYS A 89 -14.535 -14.588 -13.120 1.00 0.00 C ATOM 1319 NZ LYS A 89 -15.918 -14.180 -12.748 1.00 0.00 N ATOM 0 H LYS A 89 -8.955 -15.493 -9.896 1.00 0.00 H new ATOM 0 HA LYS A 89 -9.537 -14.793 -12.715 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -11.332 -15.879 -11.050 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -11.438 -14.236 -10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -11.788 -13.541 -12.922 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -12.054 -15.244 -13.238 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -13.732 -15.049 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -13.703 -13.343 -11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -14.219 -14.036 -14.005 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -14.527 -15.645 -13.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -16.560 -14.364 -13.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -16.230 -14.725 -11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -15.931 -13.165 -12.520 1.00 0.00 H new ATOM 1333 N SER A 90 -9.529 -12.283 -12.281 1.00 0.00 N ATOM 1334 CA SER A 90 -9.191 -10.876 -12.100 1.00 0.00 C ATOM 1335 C SER A 90 -10.417 -10.074 -11.676 1.00 0.00 C ATOM 1336 O SER A 90 -10.431 -9.456 -10.612 1.00 0.00 O ATOM 1337 CB SER A 90 -8.611 -10.299 -13.392 1.00 0.00 C ATOM 1338 OG SER A 90 -7.440 -10.996 -13.783 1.00 0.00 O ATOM 0 H SER A 90 -9.948 -12.503 -13.185 1.00 0.00 H new ATOM 0 HA SER A 90 -8.442 -10.806 -11.311 1.00 0.00 H new ATOM 0 HB2 SER A 90 -9.355 -10.358 -14.186 1.00 0.00 H new ATOM 0 HB3 SER A 90 -8.379 -9.243 -13.250 1.00 0.00 H new ATOM 0 HG SER A 90 -7.090 -10.609 -14.612 1.00 0.00 H new ATOM 1344 N GLY A 91 -11.446 -10.088 -12.517 1.00 0.00 N ATOM 1345 CA GLY A 91 -12.663 -9.358 -12.213 1.00 0.00 C ATOM 1346 C GLY A 91 -13.518 -9.118 -13.442 1.00 0.00 C ATOM 1347 O GLY A 91 -13.019 -9.035 -14.564 1.00 0.00 O ATOM 0 H GLY A 91 -11.459 -10.592 -13.404 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.241 -9.914 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -12.405 -8.400 -11.761 1.00 0.00 H new ATOM 1351 N PRO A 92 -14.838 -9.002 -13.237 1.00 0.00 N ATOM 1352 CA PRO A 92 -15.791 -8.769 -14.326 1.00 0.00 C ATOM 1353 C PRO A 92 -15.662 -7.371 -14.919 1.00 0.00 C ATOM 1354 O PRO A 92 -16.376 -7.017 -15.857 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.153 -8.940 -13.647 1.00 0.00 C ATOM 1356 CG PRO A 92 -16.903 -8.626 -12.212 1.00 0.00 C ATOM 1357 CD PRO A 92 -15.502 -9.090 -11.925 1.00 0.00 C ATOM 0 HA PRO A 92 -15.629 -9.448 -15.163 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.896 -8.268 -14.076 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -17.532 -9.954 -13.770 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -17.007 -7.558 -12.022 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -17.622 -9.135 -11.570 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -15.013 -8.458 -11.184 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -15.488 -10.108 -11.535 1.00 0.00 H new ATOM 1365 N SER A 93 -14.747 -6.580 -14.367 1.00 0.00 N ATOM 1366 CA SER A 93 -14.529 -5.218 -14.841 1.00 0.00 C ATOM 1367 C SER A 93 -13.678 -5.215 -16.107 1.00 0.00 C ATOM 1368 O SER A 93 -12.712 -5.970 -16.222 1.00 0.00 O ATOM 1369 CB SER A 93 -13.850 -4.381 -13.754 1.00 0.00 C ATOM 1370 OG SER A 93 -14.058 -2.997 -13.974 1.00 0.00 O ATOM 0 H SER A 93 -14.145 -6.859 -13.592 1.00 0.00 H new ATOM 0 HA SER A 93 -15.499 -4.780 -15.075 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.243 -4.660 -12.776 1.00 0.00 H new ATOM 0 HB3 SER A 93 -12.781 -4.594 -13.741 1.00 0.00 H new ATOM 0 HG SER A 93 -13.616 -2.483 -13.266 1.00 0.00 H new ATOM 1376 N SER A 94 -14.044 -4.359 -17.056 1.00 0.00 N ATOM 1377 CA SER A 94 -13.318 -4.257 -18.316 1.00 0.00 C ATOM 1378 C SER A 94 -13.282 -5.605 -19.031 1.00 0.00 C ATOM 1379 O SER A 94 -12.245 -6.018 -19.548 1.00 0.00 O ATOM 1380 CB SER A 94 -11.892 -3.760 -18.069 1.00 0.00 C ATOM 1381 OG SER A 94 -11.858 -2.348 -17.950 1.00 0.00 O ATOM 0 H SER A 94 -14.840 -3.726 -16.976 1.00 0.00 H new ATOM 0 HA SER A 94 -13.839 -3.541 -18.951 1.00 0.00 H new ATOM 0 HB2 SER A 94 -11.497 -4.214 -17.160 1.00 0.00 H new ATOM 0 HB3 SER A 94 -11.247 -4.075 -18.889 1.00 0.00 H new ATOM 0 HG SER A 94 -10.936 -2.055 -17.791 1.00 0.00 H new ATOM 1387 N GLY A 95 -14.424 -6.286 -19.057 1.00 0.00 N ATOM 1388 CA GLY A 95 -14.503 -7.578 -19.711 1.00 0.00 C ATOM 1389 C GLY A 95 -15.731 -7.710 -20.589 1.00 0.00 C ATOM 1390 O GLY A 95 -16.839 -7.912 -20.092 1.00 0.00 O ATOM 0 H GLY A 95 -15.296 -5.965 -18.636 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -13.609 -7.730 -20.316 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -14.514 -8.364 -18.956 1.00 0.00 H new TER 1394 GLY A 95