USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 560 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 17 ASN : amide:sc= -4.43! C(o=-2.6!,f=-9.4!) USER MOD Set 1.2: B 16 LYS NZ :NH3+ 170:sc= 1.86 (180deg=0.591) USER MOD Set 2.1: A 16 LYS NZ :NH3+ 173:sc= 1.9 (180deg=0.653) USER MOD Set 2.2: B 17 ASN : amide:sc= -4.22! C(o=-2.3!,f=-8.7!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 143:sc= -0.29 (180deg=-0.897) USER MOD Single : A 4 LYS NZ :NH3+ -163:sc= 0.00169 (180deg=-0.607) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HE2:sc= 1.12 K(o=1.1,f=-4.9!) USER MOD Single : A 22 ASN :FLIP amide:sc= 1.11 F(o=-0.98,f=1.1) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 132:sc= 0.278 (180deg=-0.264) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 3 MET CE :methyl 158:sc= -0.274 (180deg=-0.864) USER MOD Single : B 4 LYS NZ :NH3+ -163:sc= -0.0124 (180deg=-0.658) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 SER OG : rot 180:sc= 0 USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HE2:sc= 1.15 K(o=1.1,f=-5.1!) USER MOD Single : B 22 ASN :FLIP amide:sc= 1.09 F(o=-0.93,f=1.1) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 29 LYS NZ :NH3+ 133:sc= 0.304 (180deg=-0.269) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 27.095 0.554 -3.175 1.00 0.00 N ATOM 2 CA GLY A 1 25.755 -0.048 -2.988 1.00 0.00 C ATOM 3 C GLY A 1 24.643 0.917 -3.331 1.00 0.00 C ATOM 4 O GLY A 1 24.664 2.071 -2.905 1.00 0.00 O ATOM 0 H1 GLY A 1 27.826 -0.143 -2.928 1.00 0.00 H new ATOM 0 H2 GLY A 1 27.211 0.841 -4.168 1.00 0.00 H new ATOM 0 H3 GLY A 1 27.190 1.388 -2.560 1.00 0.00 H new ATOM 0 HA2 GLY A 1 25.668 -0.937 -3.612 1.00 0.00 H new ATOM 0 HA3 GLY A 1 25.646 -0.373 -1.953 1.00 0.00 H new ATOM 10 N SER A 2 23.671 0.446 -4.098 1.00 0.00 N ATOM 11 CA SER A 2 22.554 1.277 -4.524 1.00 0.00 C ATOM 12 C SER A 2 21.496 1.385 -3.423 1.00 0.00 C ATOM 13 O SER A 2 20.381 0.872 -3.559 1.00 0.00 O ATOM 14 CB SER A 2 21.938 0.692 -5.794 1.00 0.00 C ATOM 15 OG SER A 2 22.936 0.448 -6.771 1.00 0.00 O ATOM 0 H SER A 2 23.633 -0.514 -4.440 1.00 0.00 H new ATOM 0 HA SER A 2 22.926 2.281 -4.729 1.00 0.00 H new ATOM 0 HB2 SER A 2 21.419 -0.237 -5.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 21.193 1.380 -6.193 1.00 0.00 H new ATOM 0 HG SER A 2 22.521 0.072 -7.575 1.00 0.00 H new ATOM 21 N MET A 3 21.850 2.056 -2.335 1.00 0.00 N ATOM 22 CA MET A 3 20.940 2.212 -1.210 1.00 0.00 C ATOM 23 C MET A 3 19.829 3.190 -1.550 1.00 0.00 C ATOM 24 O MET A 3 18.664 2.934 -1.258 1.00 0.00 O ATOM 25 CB MET A 3 21.679 2.683 0.045 1.00 0.00 C ATOM 26 CG MET A 3 22.617 1.642 0.633 1.00 0.00 C ATOM 27 SD MET A 3 23.385 2.183 2.172 1.00 0.00 S ATOM 28 CE MET A 3 21.943 2.432 3.208 1.00 0.00 C ATOM 0 H MET A 3 22.759 2.500 -2.208 1.00 0.00 H new ATOM 0 HA MET A 3 20.504 1.234 -1.005 1.00 0.00 H new ATOM 0 HB2 MET A 3 22.251 3.579 -0.197 1.00 0.00 H new ATOM 0 HB3 MET A 3 20.947 2.967 0.801 1.00 0.00 H new ATOM 0 HG2 MET A 3 22.063 0.721 0.813 1.00 0.00 H new ATOM 0 HG3 MET A 3 23.395 1.409 -0.094 1.00 0.00 H new ATOM 0 HE1 MET A 3 22.170 2.123 4.228 1.00 0.00 H new ATOM 0 HE2 MET A 3 21.667 3.487 3.201 1.00 0.00 H new ATOM 0 HE3 MET A 3 21.113 1.838 2.826 1.00 0.00 H new ATOM 38 N LYS A 4 20.187 4.302 -2.181 1.00 0.00 N ATOM 39 CA LYS A 4 19.202 5.313 -2.548 1.00 0.00 C ATOM 40 C LYS A 4 18.198 4.761 -3.559 1.00 0.00 C ATOM 41 O LYS A 4 17.047 5.193 -3.595 1.00 0.00 O ATOM 42 CB LYS A 4 19.874 6.571 -3.095 1.00 0.00 C ATOM 43 CG LYS A 4 20.731 7.296 -2.068 1.00 0.00 C ATOM 44 CD LYS A 4 21.195 8.653 -2.577 1.00 0.00 C ATOM 45 CE LYS A 4 20.232 9.777 -2.197 1.00 0.00 C ATOM 46 NZ LYS A 4 18.852 9.558 -2.707 1.00 0.00 N ATOM 0 H LYS A 4 21.146 4.526 -2.448 1.00 0.00 H new ATOM 0 HA LYS A 4 18.661 5.585 -1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 4 20.495 6.300 -3.949 1.00 0.00 H new ATOM 0 HB3 LYS A 4 19.107 7.253 -3.463 1.00 0.00 H new ATOM 0 HG2 LYS A 4 20.162 7.428 -1.148 1.00 0.00 H new ATOM 0 HG3 LYS A 4 21.599 6.684 -1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 4 22.183 8.872 -2.172 1.00 0.00 H new ATOM 0 HD3 LYS A 4 21.296 8.616 -3.662 1.00 0.00 H new ATOM 0 HE2 LYS A 4 20.202 9.870 -1.111 1.00 0.00 H new ATOM 0 HE3 LYS A 4 20.612 10.721 -2.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 18.325 10.454 -2.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.895 9.213 -3.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 18.370 8.853 -2.113 1.00 0.00 H new ATOM 60 N GLN A 5 18.634 3.801 -4.370 1.00 0.00 N ATOM 61 CA GLN A 5 17.741 3.118 -5.296 1.00 0.00 C ATOM 62 C GLN A 5 16.623 2.419 -4.528 1.00 0.00 C ATOM 63 O GLN A 5 15.445 2.556 -4.860 1.00 0.00 O ATOM 64 CB GLN A 5 18.514 2.098 -6.135 1.00 0.00 C ATOM 65 CG GLN A 5 17.628 1.276 -7.057 1.00 0.00 C ATOM 66 CD GLN A 5 18.396 0.233 -7.840 1.00 0.00 C ATOM 67 OE1 GLN A 5 19.566 0.416 -8.174 1.00 0.00 O ATOM 68 NE2 GLN A 5 17.744 -0.876 -8.136 1.00 0.00 N ATOM 0 H GLN A 5 19.601 3.480 -4.403 1.00 0.00 H new ATOM 0 HA GLN A 5 17.305 3.860 -5.965 1.00 0.00 H new ATOM 0 HB2 GLN A 5 19.260 2.622 -6.733 1.00 0.00 H new ATOM 0 HB3 GLN A 5 19.054 1.426 -5.468 1.00 0.00 H new ATOM 0 HG2 GLN A 5 16.856 0.783 -6.466 1.00 0.00 H new ATOM 0 HG3 GLN A 5 17.119 1.943 -7.753 1.00 0.00 H new ATOM 0 HE21 GLN A 5 16.774 -0.991 -7.842 1.00 0.00 H new ATOM 0 HE22 GLN A 5 18.210 -1.617 -8.659 1.00 0.00 H new ATOM 77 N LEU A 6 17.003 1.685 -3.487 1.00 0.00 N ATOM 78 CA LEU A 6 16.027 0.997 -2.644 1.00 0.00 C ATOM 79 C LEU A 6 15.257 2.009 -1.805 1.00 0.00 C ATOM 80 O LEU A 6 14.089 1.804 -1.477 1.00 0.00 O ATOM 81 CB LEU A 6 16.707 -0.037 -1.735 1.00 0.00 C ATOM 82 CG LEU A 6 17.399 -1.199 -2.457 1.00 0.00 C ATOM 83 CD1 LEU A 6 18.078 -2.118 -1.455 1.00 0.00 C ATOM 84 CD2 LEU A 6 16.399 -1.981 -3.298 1.00 0.00 C ATOM 0 H LEU A 6 17.974 1.551 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 6 15.332 0.467 -3.294 1.00 0.00 H new ATOM 0 HB2 LEU A 6 17.446 0.477 -1.120 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.958 -0.448 -1.058 1.00 0.00 H new ATOM 0 HG LEU A 6 18.158 -0.785 -3.121 1.00 0.00 H new ATOM 0 HD11 LEU A 6 18.564 -2.937 -1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 6 18.824 -1.556 -0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.334 -2.521 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 6 16.910 -2.801 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 6 15.617 -2.382 -2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 6 15.953 -1.320 -4.041 1.00 0.00 H new ATOM 96 N GLU A 7 15.922 3.109 -1.479 1.00 0.00 N ATOM 97 CA GLU A 7 15.319 4.196 -0.729 1.00 0.00 C ATOM 98 C GLU A 7 14.112 4.763 -1.476 1.00 0.00 C ATOM 99 O GLU A 7 13.074 5.042 -0.873 1.00 0.00 O ATOM 100 CB GLU A 7 16.372 5.282 -0.498 1.00 0.00 C ATOM 101 CG GLU A 7 15.854 6.551 0.148 1.00 0.00 C ATOM 102 CD GLU A 7 16.922 7.619 0.227 1.00 0.00 C ATOM 103 OE1 GLU A 7 17.113 8.352 -0.768 1.00 0.00 O ATOM 104 OE2 GLU A 7 17.579 7.734 1.282 1.00 0.00 O ATOM 0 H GLU A 7 16.898 3.271 -1.729 1.00 0.00 H new ATOM 0 HA GLU A 7 14.966 3.823 0.232 1.00 0.00 H new ATOM 0 HB2 GLU A 7 17.164 4.871 0.128 1.00 0.00 H new ATOM 0 HB3 GLU A 7 16.824 5.539 -1.456 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.005 6.928 -0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 7 15.491 6.326 1.151 1.00 0.00 H new ATOM 111 N ASP A 8 14.252 4.921 -2.792 1.00 0.00 N ATOM 112 CA ASP A 8 13.144 5.386 -3.626 1.00 0.00 C ATOM 113 C ASP A 8 11.975 4.422 -3.542 1.00 0.00 C ATOM 114 O ASP A 8 10.835 4.839 -3.392 1.00 0.00 O ATOM 115 CB ASP A 8 13.566 5.539 -5.089 1.00 0.00 C ATOM 116 CG ASP A 8 14.336 6.814 -5.353 1.00 0.00 C ATOM 117 OD1 ASP A 8 13.734 7.907 -5.278 1.00 0.00 O ATOM 118 OD2 ASP A 8 15.542 6.732 -5.662 1.00 0.00 O ATOM 0 H ASP A 8 15.116 4.735 -3.301 1.00 0.00 H new ATOM 0 HA ASP A 8 12.843 6.363 -3.248 1.00 0.00 H new ATOM 0 HB2 ASP A 8 14.180 4.685 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 8 12.678 5.520 -5.721 1.00 0.00 H new ATOM 123 N LYS A 9 12.274 3.135 -3.649 1.00 0.00 N ATOM 124 CA LYS A 9 11.247 2.077 -3.523 1.00 0.00 C ATOM 125 C LYS A 9 10.470 2.216 -2.220 1.00 0.00 C ATOM 126 O LYS A 9 9.239 2.217 -2.215 1.00 0.00 O ATOM 127 CB LYS A 9 11.859 0.675 -3.552 1.00 0.00 C ATOM 128 CG LYS A 9 12.950 0.501 -4.597 1.00 0.00 C ATOM 129 CD LYS A 9 12.403 0.696 -6.003 1.00 0.00 C ATOM 130 CE LYS A 9 13.502 0.630 -7.048 1.00 0.00 C ATOM 131 NZ LYS A 9 12.964 0.786 -8.425 1.00 0.00 N ATOM 0 H LYS A 9 13.216 2.785 -3.823 1.00 0.00 H new ATOM 0 HA LYS A 9 10.582 2.202 -4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 9 12.272 0.449 -2.569 1.00 0.00 H new ATOM 0 HB3 LYS A 9 11.069 -0.052 -3.741 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.751 1.217 -4.413 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.386 -0.494 -4.509 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.656 -0.070 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.898 1.660 -6.066 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.236 1.412 -6.854 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.024 -0.324 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 13.745 0.735 -9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.282 0.025 -8.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 12.488 1.707 -8.510 1.00 0.00 H new ATOM 145 N VAL A 10 11.210 2.342 -1.121 1.00 0.00 N ATOM 146 CA VAL A 10 10.620 2.461 0.211 1.00 0.00 C ATOM 147 C VAL A 10 9.709 3.674 0.235 1.00 0.00 C ATOM 148 O VAL A 10 8.629 3.668 0.825 1.00 0.00 O ATOM 149 CB VAL A 10 11.704 2.616 1.303 1.00 0.00 C ATOM 150 CG1 VAL A 10 11.069 2.742 2.681 1.00 0.00 C ATOM 151 CG2 VAL A 10 12.670 1.443 1.270 1.00 0.00 C ATOM 0 H VAL A 10 12.230 2.364 -1.127 1.00 0.00 H new ATOM 0 HA VAL A 10 10.059 1.550 0.422 1.00 0.00 H new ATOM 0 HB VAL A 10 12.262 3.529 1.098 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.850 2.850 3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.420 3.617 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.481 1.849 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.425 1.571 2.046 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.123 0.516 1.445 1.00 0.00 H new ATOM 0 HG23 VAL A 10 13.156 1.399 0.295 1.00 0.00 H new ATOM 161 N GLU A 11 10.163 4.698 -0.463 1.00 0.00 N ATOM 162 CA GLU A 11 9.446 5.963 -0.558 1.00 0.00 C ATOM 163 C GLU A 11 8.185 5.829 -1.424 1.00 0.00 C ATOM 164 O GLU A 11 7.093 6.209 -0.996 1.00 0.00 O ATOM 165 CB GLU A 11 10.366 7.038 -1.142 1.00 0.00 C ATOM 166 CG GLU A 11 9.792 8.441 -1.084 1.00 0.00 C ATOM 167 CD GLU A 11 9.609 8.930 0.335 1.00 0.00 C ATOM 168 OE1 GLU A 11 10.628 9.171 1.018 1.00 0.00 O ATOM 169 OE2 GLU A 11 8.451 9.084 0.775 1.00 0.00 O ATOM 0 H GLU A 11 11.041 4.680 -0.982 1.00 0.00 H new ATOM 0 HA GLU A 11 9.136 6.252 0.446 1.00 0.00 H new ATOM 0 HB2 GLU A 11 11.314 7.022 -0.604 1.00 0.00 H new ATOM 0 HB3 GLU A 11 10.585 6.789 -2.180 1.00 0.00 H new ATOM 0 HG2 GLU A 11 10.453 9.124 -1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.831 8.459 -1.599 1.00 0.00 H new ATOM 176 N GLU A 12 8.342 5.301 -2.643 1.00 0.00 N ATOM 177 CA GLU A 12 7.214 5.133 -3.562 1.00 0.00 C ATOM 178 C GLU A 12 6.111 4.296 -2.919 1.00 0.00 C ATOM 179 O GLU A 12 4.971 4.748 -2.769 1.00 0.00 O ATOM 180 CB GLU A 12 7.670 4.456 -4.858 1.00 0.00 C ATOM 181 CG GLU A 12 8.708 5.242 -5.641 1.00 0.00 C ATOM 182 CD GLU A 12 9.120 4.541 -6.920 1.00 0.00 C ATOM 183 OE1 GLU A 12 10.143 3.823 -6.912 1.00 0.00 O ATOM 184 OE2 GLU A 12 8.416 4.697 -7.941 1.00 0.00 O ATOM 0 H GLU A 12 9.238 4.984 -3.014 1.00 0.00 H new ATOM 0 HA GLU A 12 6.823 6.124 -3.791 1.00 0.00 H new ATOM 0 HB2 GLU A 12 8.079 3.475 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 12 6.800 4.291 -5.494 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.308 6.227 -5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.588 5.399 -5.017 1.00 0.00 H new ATOM 191 N LEU A 13 6.469 3.073 -2.557 1.00 0.00 N ATOM 192 CA LEU A 13 5.563 2.142 -1.891 1.00 0.00 C ATOM 193 C LEU A 13 4.874 2.774 -0.684 1.00 0.00 C ATOM 194 O LEU A 13 3.700 2.533 -0.464 1.00 0.00 O ATOM 195 CB LEU A 13 6.323 0.893 -1.441 1.00 0.00 C ATOM 196 CG LEU A 13 6.959 0.072 -2.564 1.00 0.00 C ATOM 197 CD1 LEU A 13 7.814 -1.043 -1.988 1.00 0.00 C ATOM 198 CD2 LEU A 13 5.886 -0.501 -3.480 1.00 0.00 C ATOM 0 H LEU A 13 7.402 2.694 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 13 4.795 1.871 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.107 1.196 -0.747 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.638 0.251 -0.888 1.00 0.00 H new ATOM 0 HG LEU A 13 7.599 0.731 -3.152 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.259 -1.617 -2.801 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.604 -0.614 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.193 -1.699 -1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 13 6.357 -1.082 -4.273 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.222 -1.145 -2.904 1.00 0.00 H new ATOM 0 HD23 LEU A 13 5.310 0.313 -3.920 1.00 0.00 H new ATOM 210 N LEU A 14 5.617 3.565 0.088 1.00 0.00 N ATOM 211 CA LEU A 14 5.083 4.247 1.283 1.00 0.00 C ATOM 212 C LEU A 14 3.826 5.043 0.935 1.00 0.00 C ATOM 213 O LEU A 14 2.772 4.853 1.546 1.00 0.00 O ATOM 214 CB LEU A 14 6.111 5.219 1.909 1.00 0.00 C ATOM 215 CG LEU A 14 6.243 5.162 3.444 1.00 0.00 C ATOM 216 CD1 LEU A 14 4.898 5.359 4.129 1.00 0.00 C ATOM 217 CD2 LEU A 14 6.876 3.848 3.864 1.00 0.00 C ATOM 0 H LEU A 14 6.603 3.756 -0.090 1.00 0.00 H new ATOM 0 HA LEU A 14 4.851 3.464 2.004 1.00 0.00 H new ATOM 0 HB2 LEU A 14 7.088 5.015 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.841 6.236 1.624 1.00 0.00 H new ATOM 0 HG LEU A 14 6.890 5.981 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.030 5.313 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.489 6.331 3.855 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.211 4.574 3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.965 3.818 4.950 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.252 3.020 3.528 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.866 3.762 3.416 1.00 0.00 H new ATOM 229 N SER A 15 3.952 5.934 -0.045 1.00 0.00 N ATOM 230 CA SER A 15 2.844 6.784 -0.470 1.00 0.00 C ATOM 231 C SER A 15 1.613 5.943 -0.817 1.00 0.00 C ATOM 232 O SER A 15 0.503 6.226 -0.358 1.00 0.00 O ATOM 233 CB SER A 15 3.273 7.628 -1.677 1.00 0.00 C ATOM 234 OG SER A 15 2.305 8.614 -1.995 1.00 0.00 O ATOM 0 H SER A 15 4.817 6.086 -0.563 1.00 0.00 H new ATOM 0 HA SER A 15 2.577 7.447 0.353 1.00 0.00 H new ATOM 0 HB2 SER A 15 4.227 8.110 -1.464 1.00 0.00 H new ATOM 0 HB3 SER A 15 3.429 6.979 -2.539 1.00 0.00 H new ATOM 0 HG SER A 15 2.610 9.135 -2.767 1.00 0.00 H new ATOM 240 N LYS A 16 1.824 4.897 -1.606 1.00 0.00 N ATOM 241 CA LYS A 16 0.740 4.019 -2.036 1.00 0.00 C ATOM 242 C LYS A 16 0.243 3.174 -0.853 1.00 0.00 C ATOM 243 O LYS A 16 -0.958 2.969 -0.680 1.00 0.00 O ATOM 244 CB LYS A 16 1.252 3.141 -3.197 1.00 0.00 C ATOM 245 CG LYS A 16 0.195 2.360 -3.988 1.00 0.00 C ATOM 246 CD LYS A 16 -0.262 1.107 -3.262 1.00 0.00 C ATOM 247 CE LYS A 16 -1.053 0.189 -4.177 1.00 0.00 C ATOM 248 NZ LYS A 16 -0.222 -0.332 -5.295 1.00 0.00 N ATOM 0 H LYS A 16 2.742 4.634 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.109 4.604 -2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.795 3.780 -3.893 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.970 2.428 -2.793 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.665 3.003 -4.173 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.603 2.085 -4.961 1.00 0.00 H new ATOM 0 HD2 LYS A 16 0.606 0.574 -2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.876 1.385 -2.405 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -1.448 -0.646 -3.599 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.908 0.730 -4.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.762 -1.044 -5.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.037 0.451 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 0.642 -0.767 -4.912 1.00 0.00 H new ATOM 262 N ASN A 17 1.189 2.717 -0.038 1.00 0.00 N ATOM 263 CA ASN A 17 0.909 1.946 1.178 1.00 0.00 C ATOM 264 C ASN A 17 -0.097 2.676 2.059 1.00 0.00 C ATOM 265 O ASN A 17 -1.096 2.104 2.499 1.00 0.00 O ATOM 266 CB ASN A 17 2.213 1.770 1.964 1.00 0.00 C ATOM 267 CG ASN A 17 2.099 0.820 3.142 1.00 0.00 C ATOM 268 OD1 ASN A 17 1.670 1.217 4.224 1.00 0.00 O ATOM 269 ND2 ASN A 17 2.507 -0.433 2.960 1.00 0.00 N ATOM 0 H ASN A 17 2.184 2.871 -0.201 1.00 0.00 H new ATOM 0 HA ASN A 17 0.495 0.979 0.893 1.00 0.00 H new ATOM 0 HB2 ASN A 17 2.986 1.404 1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.541 2.744 2.326 1.00 0.00 H new ATOM 0 HD21 ASN A 17 2.470 -1.099 3.732 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.857 -0.728 2.049 1.00 0.00 H new ATOM 276 N TYR A 18 0.186 3.949 2.294 1.00 0.00 N ATOM 277 CA TYR A 18 -0.619 4.792 3.149 1.00 0.00 C ATOM 278 C TYR A 18 -1.943 5.148 2.475 1.00 0.00 C ATOM 279 O TYR A 18 -2.982 5.229 3.131 1.00 0.00 O ATOM 280 CB TYR A 18 0.210 6.038 3.489 1.00 0.00 C ATOM 281 CG TYR A 18 -0.584 7.277 3.811 1.00 0.00 C ATOM 282 CD1 TYR A 18 -0.865 8.204 2.821 1.00 0.00 C ATOM 283 CD2 TYR A 18 -1.033 7.530 5.097 1.00 0.00 C ATOM 284 CE1 TYR A 18 -1.571 9.350 3.098 1.00 0.00 C ATOM 285 CE2 TYR A 18 -1.746 8.676 5.385 1.00 0.00 C ATOM 286 CZ TYR A 18 -2.013 9.584 4.382 1.00 0.00 C ATOM 287 OH TYR A 18 -2.718 10.733 4.666 1.00 0.00 O ATOM 0 H TYR A 18 0.992 4.426 1.889 1.00 0.00 H new ATOM 0 HA TYR A 18 -0.880 4.268 4.069 1.00 0.00 H new ATOM 0 HB2 TYR A 18 0.850 5.806 4.340 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.867 6.257 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.523 8.023 1.813 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -0.822 6.821 5.884 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.778 10.063 2.314 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.093 8.861 6.391 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.957 10.744 5.616 1.00 0.00 H new ATOM 297 N HIS A 19 -1.903 5.323 1.160 1.00 0.00 N ATOM 298 CA HIS A 19 -3.079 5.746 0.410 1.00 0.00 C ATOM 299 C HIS A 19 -4.172 4.680 0.450 1.00 0.00 C ATOM 300 O HIS A 19 -5.307 4.964 0.827 1.00 0.00 O ATOM 301 CB HIS A 19 -2.702 6.050 -1.041 1.00 0.00 C ATOM 302 CG HIS A 19 -3.653 6.982 -1.732 1.00 0.00 C ATOM 303 ND1 HIS A 19 -4.790 6.565 -2.388 1.00 0.00 N ATOM 304 CD2 HIS A 19 -3.615 8.328 -1.876 1.00 0.00 C ATOM 305 CE1 HIS A 19 -5.404 7.611 -2.907 1.00 0.00 C ATOM 306 NE2 HIS A 19 -4.712 8.693 -2.610 1.00 0.00 N ATOM 0 H HIS A 19 -1.069 5.179 0.591 1.00 0.00 H new ATOM 0 HA HIS A 19 -3.466 6.651 0.878 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -1.702 6.484 -1.063 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -2.656 5.114 -1.598 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -5.108 5.598 -2.461 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -2.859 8.992 -1.484 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -6.320 7.585 -3.479 1.00 0.00 H new ATOM 315 N LEU A 20 -3.823 3.450 0.080 1.00 0.00 N ATOM 316 CA LEU A 20 -4.814 2.370 0.010 1.00 0.00 C ATOM 317 C LEU A 20 -5.302 2.004 1.400 1.00 0.00 C ATOM 318 O LEU A 20 -6.439 1.569 1.565 1.00 0.00 O ATOM 319 CB LEU A 20 -4.293 1.112 -0.718 1.00 0.00 C ATOM 320 CG LEU A 20 -4.099 1.232 -2.249 1.00 0.00 C ATOM 321 CD1 LEU A 20 -5.440 1.267 -2.961 1.00 0.00 C ATOM 322 CD2 LEU A 20 -3.304 2.472 -2.624 1.00 0.00 C ATOM 0 H LEU A 20 -2.874 3.175 -0.174 1.00 0.00 H new ATOM 0 HA LEU A 20 -5.645 2.755 -0.581 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.338 0.832 -0.274 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -4.987 0.294 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.538 0.352 -2.565 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -5.279 1.352 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -5.989 0.350 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -6.015 2.124 -2.612 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -3.191 2.518 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.831 3.361 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -2.320 2.428 -2.158 1.00 0.00 H new ATOM 334 N GLU A 21 -4.454 2.203 2.403 1.00 0.00 N ATOM 335 CA GLU A 21 -4.845 1.927 3.777 1.00 0.00 C ATOM 336 C GLU A 21 -6.002 2.833 4.194 1.00 0.00 C ATOM 337 O GLU A 21 -6.924 2.403 4.889 1.00 0.00 O ATOM 338 CB GLU A 21 -3.663 2.107 4.725 1.00 0.00 C ATOM 339 CG GLU A 21 -3.935 1.588 6.125 1.00 0.00 C ATOM 340 CD GLU A 21 -2.866 1.988 7.115 1.00 0.00 C ATOM 341 OE1 GLU A 21 -2.935 3.113 7.651 1.00 0.00 O ATOM 342 OE2 GLU A 21 -1.954 1.174 7.367 1.00 0.00 O ATOM 0 H GLU A 21 -3.502 2.551 2.291 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.174 0.890 3.835 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.795 1.590 4.315 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -3.408 3.165 4.780 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -4.899 1.965 6.466 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.009 0.501 6.097 1.00 0.00 H new ATOM 349 N ASN A 22 -5.956 4.081 3.748 1.00 0.00 N ATOM 350 CA ASN A 22 -7.014 5.037 4.049 1.00 0.00 C ATOM 351 C ASN A 22 -8.259 4.725 3.233 1.00 0.00 C ATOM 352 O ASN A 22 -9.378 4.768 3.746 1.00 0.00 O ATOM 353 CB ASN A 22 -6.561 6.468 3.757 1.00 0.00 C ATOM 354 CG ASN A 22 -5.389 6.914 4.611 1.00 0.00 C ATOM 355 OD1 ASN A 22 -5.276 6.368 5.814 1.00 0.00 O flip ATOM 356 ND2 ASN A 22 -4.592 7.749 4.191 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.198 4.455 3.177 1.00 0.00 H new ATOM 0 HA ASN A 22 -7.245 4.952 5.111 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.286 6.547 2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.398 7.147 3.919 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.713 8.146 3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.809 8.045 4.774 1.00 0.00 H new ATOM 363 N GLU A 23 -8.053 4.402 1.959 1.00 0.00 N ATOM 364 CA GLU A 23 -9.154 4.095 1.053 1.00 0.00 C ATOM 365 C GLU A 23 -9.975 2.919 1.565 1.00 0.00 C ATOM 366 O GLU A 23 -11.207 2.953 1.533 1.00 0.00 O ATOM 367 CB GLU A 23 -8.623 3.794 -0.346 1.00 0.00 C ATOM 368 CG GLU A 23 -7.957 4.987 -1.006 1.00 0.00 C ATOM 369 CD GLU A 23 -7.511 4.696 -2.420 1.00 0.00 C ATOM 370 OE1 GLU A 23 -8.364 4.739 -3.332 1.00 0.00 O ATOM 371 OE2 GLU A 23 -6.306 4.448 -2.628 1.00 0.00 O ATOM 0 H GLU A 23 -7.129 4.346 1.530 1.00 0.00 H new ATOM 0 HA GLU A 23 -9.803 4.969 1.006 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.907 2.974 -0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -9.446 3.453 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.651 5.827 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.095 5.291 -0.413 1.00 0.00 H new ATOM 378 N VAL A 24 -9.288 1.886 2.051 1.00 0.00 N ATOM 379 CA VAL A 24 -9.957 0.730 2.626 1.00 0.00 C ATOM 380 C VAL A 24 -10.866 1.158 3.777 1.00 0.00 C ATOM 381 O VAL A 24 -12.047 0.817 3.811 1.00 0.00 O ATOM 382 CB VAL A 24 -8.950 -0.325 3.140 1.00 0.00 C ATOM 383 CG1 VAL A 24 -9.652 -1.405 3.951 1.00 0.00 C ATOM 384 CG2 VAL A 24 -8.206 -0.954 1.978 1.00 0.00 C ATOM 0 H VAL A 24 -8.270 1.830 2.056 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.551 0.278 1.832 1.00 0.00 H new ATOM 0 HB VAL A 24 -8.237 0.182 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -8.919 -2.133 4.299 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -10.148 -0.951 4.809 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.392 -1.906 3.327 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -7.501 -1.694 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -8.918 -1.438 1.310 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -7.664 -0.182 1.432 1.00 0.00 H new ATOM 394 N ALA A 25 -10.305 1.931 4.702 1.00 0.00 N ATOM 395 CA ALA A 25 -11.038 2.401 5.872 1.00 0.00 C ATOM 396 C ALA A 25 -12.290 3.194 5.490 1.00 0.00 C ATOM 397 O ALA A 25 -13.330 3.067 6.142 1.00 0.00 O ATOM 398 CB ALA A 25 -10.132 3.247 6.749 1.00 0.00 C ATOM 0 H ALA A 25 -9.336 2.247 4.662 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.366 1.522 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.689 3.593 7.620 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -9.281 2.650 7.076 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.775 4.106 6.181 1.00 0.00 H new ATOM 404 N ARG A 26 -12.189 4.012 4.444 1.00 0.00 N ATOM 405 CA ARG A 26 -13.324 4.801 3.978 1.00 0.00 C ATOM 406 C ARG A 26 -14.427 3.892 3.462 1.00 0.00 C ATOM 407 O ARG A 26 -15.576 3.975 3.898 1.00 0.00 O ATOM 408 CB ARG A 26 -12.901 5.757 2.863 1.00 0.00 C ATOM 409 CG ARG A 26 -11.797 6.717 3.260 1.00 0.00 C ATOM 410 CD ARG A 26 -11.482 7.693 2.138 1.00 0.00 C ATOM 411 NE ARG A 26 -12.650 8.498 1.777 1.00 0.00 N ATOM 412 CZ ARG A 26 -12.615 9.539 0.946 1.00 0.00 C ATOM 413 NH1 ARG A 26 -11.478 9.899 0.366 1.00 0.00 N ATOM 414 NH2 ARG A 26 -13.729 10.211 0.685 1.00 0.00 N ATOM 0 H ARG A 26 -11.333 4.145 3.905 1.00 0.00 H new ATOM 0 HA ARG A 26 -13.695 5.380 4.823 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -12.569 5.173 2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -13.770 6.331 2.542 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -12.095 7.269 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.899 6.155 3.518 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -10.668 8.350 2.445 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -11.135 7.143 1.264 1.00 0.00 H new ATOM 0 HE ARG A 26 -13.549 8.246 2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.622 9.378 0.555 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -11.460 10.697 -0.269 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -14.608 9.930 1.120 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.706 11.008 0.049 1.00 0.00 H new ATOM 428 N LEU A 27 -14.057 3.011 2.544 1.00 0.00 N ATOM 429 CA LEU A 27 -15.007 2.090 1.930 1.00 0.00 C ATOM 430 C LEU A 27 -15.634 1.158 2.970 1.00 0.00 C ATOM 431 O LEU A 27 -16.755 0.685 2.786 1.00 0.00 O ATOM 432 CB LEU A 27 -14.318 1.282 0.827 1.00 0.00 C ATOM 433 CG LEU A 27 -13.726 2.115 -0.309 1.00 0.00 C ATOM 434 CD1 LEU A 27 -12.934 1.236 -1.256 1.00 0.00 C ATOM 435 CD2 LEU A 27 -14.823 2.850 -1.064 1.00 0.00 C ATOM 0 H LEU A 27 -13.100 2.913 2.205 1.00 0.00 H new ATOM 0 HA LEU A 27 -15.812 2.678 1.488 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -13.521 0.689 1.276 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -15.039 0.581 0.406 1.00 0.00 H new ATOM 0 HG LEU A 27 -13.052 2.853 0.125 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.520 1.846 -2.059 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -12.122 0.753 -0.712 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -13.589 0.475 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -14.380 3.437 -1.869 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -15.522 2.127 -1.485 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -15.354 3.513 -0.381 1.00 0.00 H new ATOM 447 N LYS A 28 -14.923 0.922 4.069 1.00 0.00 N ATOM 448 CA LYS A 28 -15.420 0.064 5.135 1.00 0.00 C ATOM 449 C LYS A 28 -16.600 0.715 5.842 1.00 0.00 C ATOM 450 O LYS A 28 -17.623 0.074 6.072 1.00 0.00 O ATOM 451 CB LYS A 28 -14.317 -0.232 6.153 1.00 0.00 C ATOM 452 CG LYS A 28 -13.369 -1.346 5.741 1.00 0.00 C ATOM 453 CD LYS A 28 -14.044 -2.707 5.818 1.00 0.00 C ATOM 454 CE LYS A 28 -13.069 -3.825 5.491 1.00 0.00 C ATOM 455 NZ LYS A 28 -13.679 -5.167 5.675 1.00 0.00 N ATOM 0 H LYS A 28 -13.998 1.315 4.243 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.746 -0.873 4.683 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -13.740 0.677 6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -14.778 -0.497 7.105 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -13.018 -1.169 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -12.491 -1.336 6.387 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.451 -2.857 6.818 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -14.884 -2.739 5.124 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -12.729 -3.720 4.461 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -12.189 -3.736 6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -12.980 -5.901 5.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -13.981 -5.279 6.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -14.504 -5.262 5.049 1.00 0.00 H new ATOM 469 N LYS A 29 -16.442 1.985 6.205 1.00 0.00 N ATOM 470 CA LYS A 29 -17.519 2.742 6.828 1.00 0.00 C ATOM 471 C LYS A 29 -18.708 2.863 5.878 1.00 0.00 C ATOM 472 O LYS A 29 -19.861 2.784 6.302 1.00 0.00 O ATOM 473 CB LYS A 29 -17.017 4.134 7.231 1.00 0.00 C ATOM 474 CG LYS A 29 -15.829 4.109 8.183 1.00 0.00 C ATOM 475 CD LYS A 29 -15.183 5.475 8.303 1.00 0.00 C ATOM 476 CE LYS A 29 -14.015 5.454 9.277 1.00 0.00 C ATOM 477 NZ LYS A 29 -12.962 4.487 8.865 1.00 0.00 N ATOM 0 H LYS A 29 -15.577 2.510 6.077 1.00 0.00 H new ATOM 0 HA LYS A 29 -17.846 2.211 7.722 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -16.738 4.683 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -17.834 4.683 7.699 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -16.157 3.773 9.167 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -15.093 3.387 7.829 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -14.835 5.802 7.323 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -15.924 6.201 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -13.583 6.452 9.346 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.377 5.194 10.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.031 4.947 8.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.975 3.667 9.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.144 4.170 7.891 1.00 0.00 H new ATOM 491 N LEU A 30 -18.419 3.029 4.593 1.00 0.00 N ATOM 492 CA LEU A 30 -19.464 3.171 3.586 1.00 0.00 C ATOM 493 C LEU A 30 -20.284 1.890 3.454 1.00 0.00 C ATOM 494 O LEU A 30 -21.502 1.908 3.615 1.00 0.00 O ATOM 495 CB LEU A 30 -18.859 3.551 2.232 1.00 0.00 C ATOM 496 CG LEU A 30 -18.071 4.862 2.208 1.00 0.00 C ATOM 497 CD1 LEU A 30 -17.531 5.130 0.813 1.00 0.00 C ATOM 498 CD2 LEU A 30 -18.944 6.019 2.669 1.00 0.00 C ATOM 0 H LEU A 30 -17.469 3.069 4.223 1.00 0.00 H new ATOM 0 HA LEU A 30 -20.131 3.970 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -18.200 2.745 1.909 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -19.664 3.617 1.500 1.00 0.00 H new ATOM 0 HG LEU A 30 -17.230 4.770 2.895 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -16.973 6.066 0.813 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -16.872 4.315 0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -18.360 5.202 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -18.366 6.943 2.645 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -19.804 6.112 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -19.288 5.832 3.686 1.00 0.00 H new ATOM 510 N VAL A 31 -19.615 0.776 3.168 1.00 0.00 N ATOM 511 CA VAL A 31 -20.289 -0.506 3.032 1.00 0.00 C ATOM 512 C VAL A 31 -20.517 -1.157 4.405 1.00 0.00 C ATOM 513 O VAL A 31 -20.812 -2.349 4.510 1.00 0.00 O ATOM 514 CB VAL A 31 -19.479 -1.456 2.116 1.00 0.00 C ATOM 515 CG1 VAL A 31 -18.257 -2.019 2.830 1.00 0.00 C ATOM 516 CG2 VAL A 31 -20.360 -2.568 1.578 1.00 0.00 C ATOM 0 H VAL A 31 -18.606 0.738 3.026 1.00 0.00 H new ATOM 0 HA VAL A 31 -21.261 -0.325 2.573 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.118 -0.870 1.271 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -17.714 -2.681 2.155 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -17.606 -1.201 3.137 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -18.575 -2.579 3.709 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -19.769 -3.223 0.937 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -20.767 -3.144 2.409 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -21.178 -2.137 1.001 1.00 0.00 H new ATOM 526 N GLY A 32 -20.398 -0.359 5.460 1.00 0.00 N ATOM 527 CA GLY A 32 -20.588 -0.864 6.806 1.00 0.00 C ATOM 528 C GLY A 32 -22.052 -0.999 7.161 1.00 0.00 C ATOM 529 O GLY A 32 -22.503 -0.481 8.182 1.00 0.00 O ATOM 0 H GLY A 32 -20.172 0.634 5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -20.101 -1.835 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -20.103 -0.194 7.516 1.00 0.00 H new ATOM 533 N GLU A 33 -22.791 -1.687 6.310 1.00 0.00 N ATOM 534 CA GLU A 33 -24.207 -1.905 6.511 1.00 0.00 C ATOM 535 C GLU A 33 -24.542 -3.351 6.176 1.00 0.00 C ATOM 536 O GLU A 33 -24.619 -4.174 7.109 1.00 0.00 O ATOM 537 CB GLU A 33 -25.022 -0.955 5.630 1.00 0.00 C ATOM 538 CG GLU A 33 -26.521 -1.033 5.867 1.00 0.00 C ATOM 539 CD GLU A 33 -27.307 -0.258 4.834 1.00 0.00 C ATOM 540 OE1 GLU A 33 -27.559 0.943 5.050 1.00 0.00 O ATOM 541 OE2 GLU A 33 -27.666 -0.844 3.792 1.00 0.00 O ATOM 542 OXT GLU A 33 -24.688 -3.666 4.978 1.00 0.00 O ATOM 0 H GLU A 33 -22.423 -2.110 5.458 1.00 0.00 H new ATOM 0 HA GLU A 33 -24.459 -1.706 7.553 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -24.688 0.067 5.808 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -24.817 -1.179 4.583 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -26.835 -2.077 5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -26.750 -0.646 6.860 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 27.155 -0.693 3.420 1.00 0.00 N ATOM 551 CA GLY B 1 25.807 -0.106 3.242 1.00 0.00 C ATOM 552 C GLY B 1 24.708 -1.083 3.599 1.00 0.00 C ATOM 553 O GLY B 1 24.730 -2.235 3.164 1.00 0.00 O ATOM 0 H1 GLY B 1 27.877 0.011 3.164 1.00 0.00 H new ATOM 0 H2 GLY B 1 27.283 -0.975 4.413 1.00 0.00 H new ATOM 0 H3 GLY B 1 27.254 -1.528 2.808 1.00 0.00 H new ATOM 0 HA2 GLY B 1 25.715 0.785 3.863 1.00 0.00 H new ATOM 0 HA3 GLY B 1 25.685 0.213 2.207 1.00 0.00 H new ATOM 559 N SER B 2 23.744 -0.624 4.386 1.00 0.00 N ATOM 560 CA SER B 2 22.645 -1.466 4.832 1.00 0.00 C ATOM 561 C SER B 2 21.573 -1.590 3.748 1.00 0.00 C ATOM 562 O SER B 2 20.453 -1.095 3.897 1.00 0.00 O ATOM 563 CB SER B 2 22.042 -0.884 6.112 1.00 0.00 C ATOM 564 OG SER B 2 23.049 -0.634 7.078 1.00 0.00 O ATOM 0 H SER B 2 23.702 0.335 4.730 1.00 0.00 H new ATOM 0 HA SER B 2 23.031 -2.465 5.035 1.00 0.00 H new ATOM 0 HB2 SER B 2 21.515 0.042 5.882 1.00 0.00 H new ATOM 0 HB3 SER B 2 21.306 -1.577 6.519 1.00 0.00 H new ATOM 0 HG SER B 2 22.641 -0.261 7.887 1.00 0.00 H new ATOM 570 N MET B 3 21.920 -2.259 2.657 1.00 0.00 N ATOM 571 CA MET B 3 20.996 -2.431 1.545 1.00 0.00 C ATOM 572 C MET B 3 19.900 -3.418 1.905 1.00 0.00 C ATOM 573 O MET B 3 18.728 -3.173 1.637 1.00 0.00 O ATOM 574 CB MET B 3 21.725 -2.902 0.287 1.00 0.00 C ATOM 575 CG MET B 3 22.639 -1.852 -0.318 1.00 0.00 C ATOM 576 SD MET B 3 23.390 -2.390 -1.865 1.00 0.00 S ATOM 577 CE MET B 3 21.938 -2.658 -2.884 1.00 0.00 C ATOM 0 H MET B 3 22.834 -2.691 2.518 1.00 0.00 H new ATOM 0 HA MET B 3 20.546 -1.460 1.340 1.00 0.00 H new ATOM 0 HB2 MET B 3 22.313 -3.787 0.529 1.00 0.00 H new ATOM 0 HB3 MET B 3 20.988 -3.202 -0.458 1.00 0.00 H new ATOM 0 HG2 MET B 3 22.070 -0.939 -0.494 1.00 0.00 H new ATOM 0 HG3 MET B 3 23.425 -1.606 0.396 1.00 0.00 H new ATOM 0 HE1 MET B 3 22.218 -2.608 -3.936 1.00 0.00 H new ATOM 0 HE2 MET B 3 21.517 -3.639 -2.666 1.00 0.00 H new ATOM 0 HE3 MET B 3 21.196 -1.889 -2.669 1.00 0.00 H new ATOM 587 N LYS B 4 20.281 -4.526 2.529 1.00 0.00 N ATOM 588 CA LYS B 4 19.315 -5.546 2.917 1.00 0.00 C ATOM 589 C LYS B 4 18.319 -5.001 3.939 1.00 0.00 C ATOM 590 O LYS B 4 17.173 -5.445 3.993 1.00 0.00 O ATOM 591 CB LYS B 4 20.012 -6.792 3.461 1.00 0.00 C ATOM 592 CG LYS B 4 20.864 -7.508 2.425 1.00 0.00 C ATOM 593 CD LYS B 4 21.354 -8.856 2.931 1.00 0.00 C ATOM 594 CE LYS B 4 20.400 -9.993 2.572 1.00 0.00 C ATOM 595 NZ LYS B 4 19.026 -9.790 3.105 1.00 0.00 N ATOM 0 H LYS B 4 21.247 -4.740 2.776 1.00 0.00 H new ATOM 0 HA LYS B 4 18.764 -5.831 2.021 1.00 0.00 H new ATOM 0 HB2 LYS B 4 20.641 -6.508 4.305 1.00 0.00 H new ATOM 0 HB3 LYS B 4 19.260 -7.483 3.842 1.00 0.00 H new ATOM 0 HG2 LYS B 4 20.284 -7.651 1.513 1.00 0.00 H new ATOM 0 HG3 LYS B 4 21.719 -6.885 2.164 1.00 0.00 H new ATOM 0 HD2 LYS B 4 22.338 -9.064 2.510 1.00 0.00 H new ATOM 0 HD3 LYS B 4 21.473 -8.813 4.014 1.00 0.00 H new ATOM 0 HE2 LYS B 4 20.352 -10.091 1.487 1.00 0.00 H new ATOM 0 HE3 LYS B 4 20.799 -10.930 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 18.510 -10.693 3.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 19.081 -9.441 4.083 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 18.525 -9.094 2.517 1.00 0.00 H new ATOM 609 N GLN B 5 18.756 -4.033 4.739 1.00 0.00 N ATOM 610 CA GLN B 5 17.867 -3.359 5.675 1.00 0.00 C ATOM 611 C GLN B 5 16.730 -2.677 4.922 1.00 0.00 C ATOM 612 O GLN B 5 15.558 -2.825 5.272 1.00 0.00 O ATOM 613 CB GLN B 5 18.637 -2.327 6.501 1.00 0.00 C ATOM 614 CG GLN B 5 17.753 -1.510 7.428 1.00 0.00 C ATOM 615 CD GLN B 5 18.521 -0.456 8.197 1.00 0.00 C ATOM 616 OE1 GLN B 5 19.698 -0.626 8.508 1.00 0.00 O ATOM 617 NE2 GLN B 5 17.860 0.648 8.504 1.00 0.00 N ATOM 0 H GLN B 5 19.720 -3.699 4.757 1.00 0.00 H new ATOM 0 HA GLN B 5 17.450 -4.106 6.351 1.00 0.00 H new ATOM 0 HB2 GLN B 5 19.395 -2.840 7.093 1.00 0.00 H new ATOM 0 HB3 GLN B 5 19.163 -1.652 5.826 1.00 0.00 H new ATOM 0 HG2 GLN B 5 16.970 -1.027 6.843 1.00 0.00 H new ATOM 0 HG3 GLN B 5 17.258 -2.178 8.133 1.00 0.00 H new ATOM 0 HE21 GLN B 5 16.884 0.751 8.228 1.00 0.00 H new ATOM 0 HE22 GLN B 5 18.327 1.396 9.017 1.00 0.00 H new ATOM 626 N LEU B 6 17.086 -1.943 3.874 1.00 0.00 N ATOM 627 CA LEU B 6 16.090 -1.271 3.044 1.00 0.00 C ATOM 628 C LEU B 6 15.319 -2.296 2.220 1.00 0.00 C ATOM 629 O LEU B 6 14.144 -2.104 1.910 1.00 0.00 O ATOM 630 CB LEU B 6 16.745 -0.234 2.121 1.00 0.00 C ATOM 631 CG LEU B 6 17.432 0.940 2.829 1.00 0.00 C ATOM 632 CD1 LEU B 6 18.086 1.862 1.812 1.00 0.00 C ATOM 633 CD2 LEU B 6 16.435 1.714 3.679 1.00 0.00 C ATOM 0 H LEU B 6 18.052 -1.798 3.579 1.00 0.00 H new ATOM 0 HA LEU B 6 15.398 -0.746 3.702 1.00 0.00 H new ATOM 0 HB2 LEU B 6 17.482 -0.742 1.498 1.00 0.00 H new ATOM 0 HB3 LEU B 6 15.982 0.164 1.452 1.00 0.00 H new ATOM 0 HG LEU B 6 18.204 0.539 3.485 1.00 0.00 H new ATOM 0 HD11 LEU B 6 18.569 2.690 2.330 1.00 0.00 H new ATOM 0 HD12 LEU B 6 18.831 1.306 1.243 1.00 0.00 H new ATOM 0 HD13 LEU B 6 17.327 2.252 1.133 1.00 0.00 H new ATOM 0 HD21 LEU B 6 16.943 2.542 4.172 1.00 0.00 H new ATOM 0 HD22 LEU B 6 15.640 2.103 3.043 1.00 0.00 H new ATOM 0 HD23 LEU B 6 16.007 1.052 4.431 1.00 0.00 H new ATOM 645 N GLU B 7 15.993 -3.390 1.889 1.00 0.00 N ATOM 646 CA GLU B 7 15.393 -4.489 1.151 1.00 0.00 C ATOM 647 C GLU B 7 14.205 -5.068 1.916 1.00 0.00 C ATOM 648 O GLU B 7 13.163 -5.368 1.323 1.00 0.00 O ATOM 649 CB GLU B 7 16.457 -5.564 0.912 1.00 0.00 C ATOM 650 CG GLU B 7 15.942 -6.845 0.285 1.00 0.00 C ATOM 651 CD GLU B 7 17.018 -7.906 0.200 1.00 0.00 C ATOM 652 OE1 GLU B 7 17.235 -8.625 1.200 1.00 0.00 O ATOM 653 OE2 GLU B 7 17.655 -8.024 -0.867 1.00 0.00 O ATOM 0 H GLU B 7 16.974 -3.538 2.126 1.00 0.00 H new ATOM 0 HA GLU B 7 15.023 -4.124 0.193 1.00 0.00 H new ATOM 0 HB2 GLU B 7 17.234 -5.149 0.270 1.00 0.00 H new ATOM 0 HB3 GLU B 7 16.928 -5.807 1.865 1.00 0.00 H new ATOM 0 HG2 GLU B 7 15.104 -7.224 0.870 1.00 0.00 H new ATOM 0 HG3 GLU B 7 15.562 -6.633 -0.714 1.00 0.00 H new ATOM 660 N ASP B 8 14.363 -5.218 3.231 1.00 0.00 N ATOM 661 CA ASP B 8 13.277 -5.694 4.084 1.00 0.00 C ATOM 662 C ASP B 8 12.094 -4.741 4.014 1.00 0.00 C ATOM 663 O ASP B 8 10.958 -5.168 3.877 1.00 0.00 O ATOM 664 CB ASP B 8 13.723 -5.840 5.541 1.00 0.00 C ATOM 665 CG ASP B 8 14.512 -7.108 5.800 1.00 0.00 C ATOM 666 OD1 ASP B 8 13.914 -8.208 5.759 1.00 0.00 O ATOM 667 OD2 ASP B 8 15.729 -7.016 6.074 1.00 0.00 O ATOM 0 H ASP B 8 15.231 -5.017 3.727 1.00 0.00 H new ATOM 0 HA ASP B 8 12.982 -6.676 3.715 1.00 0.00 H new ATOM 0 HB2 ASP B 8 14.332 -4.979 5.816 1.00 0.00 H new ATOM 0 HB3 ASP B 8 12.844 -5.828 6.186 1.00 0.00 H new ATOM 672 N LYS B 9 12.381 -3.450 4.113 1.00 0.00 N ATOM 673 CA LYS B 9 11.339 -2.406 3.998 1.00 0.00 C ATOM 674 C LYS B 9 10.545 -2.558 2.707 1.00 0.00 C ATOM 675 O LYS B 9 9.314 -2.565 2.723 1.00 0.00 O ATOM 676 CB LYS B 9 11.935 -0.997 4.011 1.00 0.00 C ATOM 677 CG LYS B 9 13.039 -0.807 5.039 1.00 0.00 C ATOM 678 CD LYS B 9 12.514 -1.003 6.451 1.00 0.00 C ATOM 679 CE LYS B 9 13.628 -0.920 7.480 1.00 0.00 C ATOM 680 NZ LYS B 9 13.108 -1.074 8.862 1.00 0.00 N ATOM 0 H LYS B 9 13.321 -3.088 4.272 1.00 0.00 H new ATOM 0 HA LYS B 9 10.689 -2.537 4.863 1.00 0.00 H new ATOM 0 HB2 LYS B 9 12.331 -0.771 3.021 1.00 0.00 H new ATOM 0 HB3 LYS B 9 11.140 -0.278 4.208 1.00 0.00 H new ATOM 0 HG2 LYS B 9 13.845 -1.515 4.846 1.00 0.00 H new ATOM 0 HG3 LYS B 9 13.463 0.193 4.941 1.00 0.00 H new ATOM 0 HD2 LYS B 9 11.761 -0.245 6.668 1.00 0.00 H new ATOM 0 HD3 LYS B 9 12.021 -1.973 6.525 1.00 0.00 H new ATOM 0 HE2 LYS B 9 14.367 -1.696 7.280 1.00 0.00 H new ATOM 0 HE3 LYS B 9 14.139 0.038 7.388 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 13.896 -1.012 9.538 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 12.421 -0.319 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 12.642 -1.999 8.957 1.00 0.00 H new ATOM 694 N VAL B 10 11.268 -2.682 1.597 1.00 0.00 N ATOM 695 CA VAL B 10 10.659 -2.809 0.275 1.00 0.00 C ATOM 696 C VAL B 10 9.764 -4.035 0.267 1.00 0.00 C ATOM 697 O VAL B 10 8.678 -4.046 -0.312 1.00 0.00 O ATOM 698 CB VAL B 10 11.728 -2.956 -0.832 1.00 0.00 C ATOM 699 CG1 VAL B 10 11.076 -3.095 -2.200 1.00 0.00 C ATOM 700 CG2 VAL B 10 12.682 -1.774 -0.821 1.00 0.00 C ATOM 0 H VAL B 10 12.288 -2.697 1.588 1.00 0.00 H new ATOM 0 HA VAL B 10 10.084 -1.905 0.072 1.00 0.00 H new ATOM 0 HB VAL B 10 12.298 -3.862 -0.628 1.00 0.00 H new ATOM 0 HG11 VAL B 10 11.848 -3.197 -2.962 1.00 0.00 H new ATOM 0 HG12 VAL B 10 10.437 -3.978 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL B 10 10.475 -2.210 -2.408 1.00 0.00 H new ATOM 0 HG21 VAL B 10 13.425 -1.899 -1.608 1.00 0.00 H new ATOM 0 HG22 VAL B 10 12.123 -0.854 -0.992 1.00 0.00 H new ATOM 0 HG23 VAL B 10 13.183 -1.720 0.146 1.00 0.00 H new ATOM 710 N GLU B 11 10.240 -5.049 0.964 1.00 0.00 N ATOM 711 CA GLU B 11 9.541 -6.323 1.074 1.00 0.00 C ATOM 712 C GLU B 11 8.291 -6.202 1.955 1.00 0.00 C ATOM 713 O GLU B 11 7.196 -6.597 1.537 1.00 0.00 O ATOM 714 CB GLU B 11 10.485 -7.382 1.649 1.00 0.00 C ATOM 715 CG GLU B 11 9.933 -8.794 1.600 1.00 0.00 C ATOM 716 CD GLU B 11 9.760 -9.291 0.185 1.00 0.00 C ATOM 717 OE1 GLU B 11 10.776 -9.452 -0.519 1.00 0.00 O ATOM 718 OE2 GLU B 11 8.611 -9.538 -0.229 1.00 0.00 O ATOM 0 H GLU B 11 11.124 -5.016 1.472 1.00 0.00 H new ATOM 0 HA GLU B 11 9.220 -6.621 0.076 1.00 0.00 H new ATOM 0 HB2 GLU B 11 11.426 -7.352 1.100 1.00 0.00 H new ATOM 0 HB3 GLU B 11 10.712 -7.128 2.684 1.00 0.00 H new ATOM 0 HG2 GLU B 11 10.604 -9.463 2.139 1.00 0.00 H new ATOM 0 HG3 GLU B 11 8.972 -8.824 2.114 1.00 0.00 H new ATOM 725 N GLU B 12 8.455 -5.668 3.171 1.00 0.00 N ATOM 726 CA GLU B 12 7.335 -5.509 4.103 1.00 0.00 C ATOM 727 C GLU B 12 6.213 -4.689 3.475 1.00 0.00 C ATOM 728 O GLU B 12 5.076 -5.155 3.343 1.00 0.00 O ATOM 729 CB GLU B 12 7.799 -4.819 5.389 1.00 0.00 C ATOM 730 CG GLU B 12 8.858 -5.586 6.163 1.00 0.00 C ATOM 731 CD GLU B 12 9.283 -4.865 7.424 1.00 0.00 C ATOM 732 OE1 GLU B 12 10.306 -4.154 7.395 1.00 0.00 O ATOM 733 OE2 GLU B 12 8.587 -4.997 8.455 1.00 0.00 O ATOM 0 H GLU B 12 9.351 -5.340 3.531 1.00 0.00 H new ATOM 0 HA GLU B 12 6.960 -6.505 4.338 1.00 0.00 H new ATOM 0 HB2 GLU B 12 8.192 -3.834 5.137 1.00 0.00 H new ATOM 0 HB3 GLU B 12 6.935 -4.662 6.035 1.00 0.00 H new ATOM 0 HG2 GLU B 12 8.472 -6.572 6.423 1.00 0.00 H new ATOM 0 HG3 GLU B 12 9.728 -5.743 5.526 1.00 0.00 H new ATOM 740 N LEU B 13 6.555 -3.464 3.102 1.00 0.00 N ATOM 741 CA LEU B 13 5.630 -2.546 2.445 1.00 0.00 C ATOM 742 C LEU B 13 4.933 -3.191 1.251 1.00 0.00 C ATOM 743 O LEU B 13 3.755 -2.963 1.045 1.00 0.00 O ATOM 744 CB LEU B 13 6.370 -1.289 1.982 1.00 0.00 C ATOM 745 CG LEU B 13 7.010 -0.457 3.094 1.00 0.00 C ATOM 746 CD1 LEU B 13 7.843 0.665 2.498 1.00 0.00 C ATOM 747 CD2 LEU B 13 5.946 0.105 4.024 1.00 0.00 C ATOM 0 H LEU B 13 7.487 -3.075 3.247 1.00 0.00 H new ATOM 0 HA LEU B 13 4.868 -2.280 3.178 1.00 0.00 H new ATOM 0 HB2 LEU B 13 7.149 -1.585 1.279 1.00 0.00 H new ATOM 0 HB3 LEU B 13 5.670 -0.657 1.435 1.00 0.00 H new ATOM 0 HG LEU B 13 7.664 -1.105 3.677 1.00 0.00 H new ATOM 0 HD11 LEU B 13 8.293 1.250 3.300 1.00 0.00 H new ATOM 0 HD12 LEU B 13 8.629 0.242 1.872 1.00 0.00 H new ATOM 0 HD13 LEU B 13 7.205 1.310 1.893 1.00 0.00 H new ATOM 0 HD21 LEU B 13 6.422 0.694 4.808 1.00 0.00 H new ATOM 0 HD22 LEU B 13 5.265 0.740 3.457 1.00 0.00 H new ATOM 0 HD23 LEU B 13 5.387 -0.715 4.475 1.00 0.00 H new ATOM 759 N LEU B 14 5.676 -3.974 0.471 1.00 0.00 N ATOM 760 CA LEU B 14 5.133 -4.667 -0.713 1.00 0.00 C ATOM 761 C LEU B 14 3.890 -5.475 -0.344 1.00 0.00 C ATOM 762 O LEU B 14 2.828 -5.304 -0.942 1.00 0.00 O ATOM 763 CB LEU B 14 6.165 -5.629 -1.352 1.00 0.00 C ATOM 764 CG LEU B 14 6.272 -5.581 -2.888 1.00 0.00 C ATOM 765 CD1 LEU B 14 4.921 -5.799 -3.552 1.00 0.00 C ATOM 766 CD2 LEU B 14 6.882 -4.261 -3.322 1.00 0.00 C ATOM 0 H LEU B 14 6.667 -4.150 0.634 1.00 0.00 H new ATOM 0 HA LEU B 14 4.881 -3.890 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU B 14 7.146 -5.408 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU B 14 5.914 -6.648 -1.057 1.00 0.00 H new ATOM 0 HG LEU B 14 6.922 -6.395 -3.209 1.00 0.00 H new ATOM 0 HD11 LEU B 14 5.037 -5.758 -4.635 1.00 0.00 H new ATOM 0 HD12 LEU B 14 4.528 -6.775 -3.266 1.00 0.00 H new ATOM 0 HD13 LEU B 14 4.228 -5.021 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU B 14 6.955 -4.234 -4.409 1.00 0.00 H new ATOM 0 HD22 LEU B 14 6.253 -3.439 -2.980 1.00 0.00 H new ATOM 0 HD23 LEU B 14 7.877 -4.160 -2.889 1.00 0.00 H new ATOM 778 N SER B 15 4.040 -6.358 0.641 1.00 0.00 N ATOM 779 CA SER B 15 2.949 -7.219 1.083 1.00 0.00 C ATOM 780 C SER B 15 1.713 -6.395 1.451 1.00 0.00 C ATOM 781 O SER B 15 0.595 -6.704 1.029 1.00 0.00 O ATOM 782 CB SER B 15 3.402 -8.056 2.285 1.00 0.00 C ATOM 783 OG SER B 15 2.437 -9.036 2.627 1.00 0.00 O ATOM 0 H SER B 15 4.913 -6.495 1.150 1.00 0.00 H new ATOM 0 HA SER B 15 2.680 -7.883 0.261 1.00 0.00 H new ATOM 0 HB2 SER B 15 4.350 -8.542 2.055 1.00 0.00 H new ATOM 0 HB3 SER B 15 3.578 -7.403 3.140 1.00 0.00 H new ATOM 0 HG SER B 15 2.755 -9.554 3.396 1.00 0.00 H new ATOM 789 N LYS B 16 1.923 -5.343 2.227 1.00 0.00 N ATOM 790 CA LYS B 16 0.835 -4.477 2.670 1.00 0.00 C ATOM 791 C LYS B 16 0.313 -3.644 1.489 1.00 0.00 C ATOM 792 O LYS B 16 -0.894 -3.455 1.334 1.00 0.00 O ATOM 793 CB LYS B 16 1.355 -3.591 3.821 1.00 0.00 C ATOM 794 CG LYS B 16 0.300 -2.819 4.623 1.00 0.00 C ATOM 795 CD LYS B 16 -0.185 -1.577 3.897 1.00 0.00 C ATOM 796 CE LYS B 16 -0.974 -0.664 4.822 1.00 0.00 C ATOM 797 NZ LYS B 16 -0.132 -0.130 5.927 1.00 0.00 N ATOM 0 H LYS B 16 2.844 -5.065 2.567 1.00 0.00 H new ATOM 0 HA LYS B 16 -0.004 -5.068 3.038 1.00 0.00 H new ATOM 0 HB2 LYS B 16 1.913 -4.223 4.512 1.00 0.00 H new ATOM 0 HB3 LYS B 16 2.061 -2.872 3.405 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -0.548 -3.473 4.826 1.00 0.00 H new ATOM 0 HG3 LYS B 16 0.719 -2.532 5.588 1.00 0.00 H new ATOM 0 HD2 LYS B 16 0.669 -1.035 3.490 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -0.809 -1.868 3.052 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.387 0.165 4.248 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -1.817 -1.213 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.654 0.614 6.433 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 0.102 -0.899 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 0.745 0.268 5.534 1.00 0.00 H new ATOM 811 N ASN B 17 1.240 -3.178 0.656 1.00 0.00 N ATOM 812 CA ASN B 17 0.931 -2.418 -0.560 1.00 0.00 C ATOM 813 C ASN B 17 -0.081 -3.165 -1.421 1.00 0.00 C ATOM 814 O ASN B 17 -1.096 -2.610 -1.845 1.00 0.00 O ATOM 815 CB ASN B 17 2.218 -2.225 -1.368 1.00 0.00 C ATOM 816 CG ASN B 17 2.077 -1.275 -2.546 1.00 0.00 C ATOM 817 OD1 ASN B 17 1.645 -1.675 -3.627 1.00 0.00 O ATOM 818 ND2 ASN B 17 2.471 -0.018 -2.369 1.00 0.00 N ATOM 0 H ASN B 17 2.239 -3.317 0.805 1.00 0.00 H new ATOM 0 HA ASN B 17 0.509 -1.455 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN B 17 2.998 -1.850 -0.705 1.00 0.00 H new ATOM 0 HB3 ASN B 17 2.552 -3.195 -1.736 1.00 0.00 H new ATOM 0 HD21 ASN B 17 2.420 0.646 -3.142 1.00 0.00 H new ATOM 0 HD22 ASN B 17 2.824 0.283 -1.461 1.00 0.00 H new ATOM 825 N TYR B 18 0.217 -4.435 -1.661 1.00 0.00 N ATOM 826 CA TYR B 18 -0.592 -5.292 -2.499 1.00 0.00 C ATOM 827 C TYR B 18 -1.901 -5.660 -1.804 1.00 0.00 C ATOM 828 O TYR B 18 -2.951 -5.752 -2.441 1.00 0.00 O ATOM 829 CB TYR B 18 0.245 -6.529 -2.844 1.00 0.00 C ATOM 830 CG TYR B 18 -0.538 -7.778 -3.149 1.00 0.00 C ATOM 831 CD1 TYR B 18 -0.796 -8.701 -2.149 1.00 0.00 C ATOM 832 CD2 TYR B 18 -1.000 -8.047 -4.428 1.00 0.00 C ATOM 833 CE1 TYR B 18 -1.491 -9.856 -2.409 1.00 0.00 C ATOM 834 CE2 TYR B 18 -1.704 -9.201 -4.698 1.00 0.00 C ATOM 835 CZ TYR B 18 -1.947 -10.107 -3.684 1.00 0.00 C ATOM 836 OH TYR B 18 -2.639 -11.269 -3.949 1.00 0.00 O ATOM 0 H TYR B 18 1.038 -4.899 -1.272 1.00 0.00 H new ATOM 0 HA TYR B 18 -0.873 -4.776 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR B 18 0.870 -6.294 -3.705 1.00 0.00 H new ATOM 0 HB3 TYR B 18 0.916 -6.736 -2.010 1.00 0.00 H new ATOM 0 HD1 TYR B 18 -0.444 -8.509 -1.146 1.00 0.00 H new ATOM 0 HD2 TYR B 18 -0.806 -7.343 -5.224 1.00 0.00 H new ATOM 0 HE1 TYR B 18 -1.679 -10.565 -1.617 1.00 0.00 H new ATOM 0 HE2 TYR B 18 -2.064 -9.396 -5.697 1.00 0.00 H new ATOM 0 HH TYR B 18 -2.891 -11.291 -4.896 1.00 0.00 H new ATOM 846 N HIS B 19 -1.839 -5.833 -0.489 1.00 0.00 N ATOM 847 CA HIS B 19 -2.997 -6.265 0.283 1.00 0.00 C ATOM 848 C HIS B 19 -4.104 -5.213 0.255 1.00 0.00 C ATOM 849 O HIS B 19 -5.243 -5.515 -0.100 1.00 0.00 O ATOM 850 CB HIS B 19 -2.594 -6.556 1.729 1.00 0.00 C ATOM 851 CG HIS B 19 -3.521 -7.497 2.439 1.00 0.00 C ATOM 852 ND1 HIS B 19 -4.657 -7.092 3.107 1.00 0.00 N ATOM 853 CD2 HIS B 19 -3.460 -8.840 2.592 1.00 0.00 C ATOM 854 CE1 HIS B 19 -5.250 -8.144 3.639 1.00 0.00 C ATOM 855 NE2 HIS B 19 -4.545 -9.216 3.340 1.00 0.00 N ATOM 0 H HIS B 19 -0.997 -5.680 0.066 1.00 0.00 H new ATOM 0 HA HIS B 19 -3.380 -7.178 -0.174 1.00 0.00 H new ATOM 0 HB2 HIS B 19 -1.588 -6.976 1.738 1.00 0.00 H new ATOM 0 HB3 HIS B 19 -2.552 -5.617 2.281 1.00 0.00 H new ATOM 0 HD1 HIS B 19 -4.987 -6.130 3.179 1.00 0.00 H new ATOM 0 HD2 HIS B 19 -2.697 -9.495 2.197 1.00 0.00 H new ATOM 0 HE1 HIS B 19 -6.160 -8.129 4.221 1.00 0.00 H new ATOM 864 N LEU B 20 -3.764 -3.975 0.612 1.00 0.00 N ATOM 865 CA LEU B 20 -4.768 -2.907 0.690 1.00 0.00 C ATOM 866 C LEU B 20 -5.283 -2.555 -0.694 1.00 0.00 C ATOM 867 O LEU B 20 -6.432 -2.146 -0.846 1.00 0.00 O ATOM 868 CB LEU B 20 -4.252 -1.639 1.406 1.00 0.00 C ATOM 869 CG LEU B 20 -4.035 -1.750 2.933 1.00 0.00 C ATOM 870 CD1 LEU B 20 -5.366 -1.802 3.663 1.00 0.00 C ATOM 871 CD2 LEU B 20 -3.219 -2.979 3.303 1.00 0.00 C ATOM 0 H LEU B 20 -2.815 -3.686 0.849 1.00 0.00 H new ATOM 0 HA LEU B 20 -5.586 -3.299 1.294 1.00 0.00 H new ATOM 0 HB2 LEU B 20 -3.307 -1.349 0.947 1.00 0.00 H new ATOM 0 HB3 LEU B 20 -4.959 -0.830 1.220 1.00 0.00 H new ATOM 0 HG LEU B 20 -3.481 -0.862 3.237 1.00 0.00 H new ATOM 0 HD11 LEU B 20 -5.190 -1.880 4.736 1.00 0.00 H new ATOM 0 HD12 LEU B 20 -5.932 -0.894 3.453 1.00 0.00 H new ATOM 0 HD13 LEU B 20 -5.933 -2.669 3.324 1.00 0.00 H new ATOM 0 HD21 LEU B 20 -3.090 -3.018 4.385 1.00 0.00 H new ATOM 0 HD22 LEU B 20 -3.739 -3.876 2.967 1.00 0.00 H new ATOM 0 HD23 LEU B 20 -2.242 -2.925 2.823 1.00 0.00 H new ATOM 883 N GLU B 21 -4.444 -2.743 -1.709 1.00 0.00 N ATOM 884 CA GLU B 21 -4.855 -2.476 -3.079 1.00 0.00 C ATOM 885 C GLU B 21 -6.005 -3.398 -3.481 1.00 0.00 C ATOM 886 O GLU B 21 -6.938 -2.986 -4.175 1.00 0.00 O ATOM 887 CB GLU B 21 -3.681 -2.644 -4.043 1.00 0.00 C ATOM 888 CG GLU B 21 -3.974 -2.129 -5.442 1.00 0.00 C ATOM 889 CD GLU B 21 -2.913 -2.525 -6.446 1.00 0.00 C ATOM 890 OE1 GLU B 21 -3.002 -3.640 -6.999 1.00 0.00 O ATOM 891 OE2 GLU B 21 -1.992 -1.718 -6.702 1.00 0.00 O ATOM 0 H GLU B 21 -3.485 -3.076 -1.608 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.198 -1.443 -3.134 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.814 -2.118 -3.644 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.415 -3.699 -4.100 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -4.940 -2.512 -5.771 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -4.055 -1.042 -5.415 1.00 0.00 H new ATOM 898 N ASN B 22 -5.940 -4.643 -3.023 1.00 0.00 N ATOM 899 CA ASN B 22 -6.990 -5.614 -3.302 1.00 0.00 C ATOM 900 C ASN B 22 -8.224 -5.313 -2.466 1.00 0.00 C ATOM 901 O ASN B 22 -9.348 -5.371 -2.964 1.00 0.00 O ATOM 902 CB ASN B 22 -6.517 -7.041 -3.011 1.00 0.00 C ATOM 903 CG ASN B 22 -5.354 -7.478 -3.880 1.00 0.00 C ATOM 904 OD1 ASN B 22 -5.267 -6.945 -5.091 1.00 0.00 O flip ATOM 905 ND2 ASN B 22 -4.540 -8.300 -3.465 1.00 0.00 N flip ATOM 0 H ASN B 22 -5.171 -5.003 -2.457 1.00 0.00 H new ATOM 0 HA ASN B 22 -7.238 -5.537 -4.361 1.00 0.00 H new ATOM 0 HB2 ASN B 22 -6.225 -7.113 -1.963 1.00 0.00 H new ATOM 0 HB3 ASN B 22 -7.350 -7.729 -3.158 1.00 0.00 H new ATOM 0 HD21 ASN B 22 -4.640 -8.688 -2.527 1.00 0.00 H new ATOM 0 HD22 ASN B 22 -3.764 -8.594 -4.059 1.00 0.00 H new ATOM 912 N GLU B 23 -8.003 -4.985 -1.196 1.00 0.00 N ATOM 913 CA GLU B 23 -9.095 -4.690 -0.274 1.00 0.00 C ATOM 914 C GLU B 23 -9.941 -3.526 -0.777 1.00 0.00 C ATOM 915 O GLU B 23 -11.171 -3.575 -0.711 1.00 0.00 O ATOM 916 CB GLU B 23 -8.552 -4.377 1.120 1.00 0.00 C ATOM 917 CG GLU B 23 -7.861 -5.555 1.783 1.00 0.00 C ATOM 918 CD GLU B 23 -7.388 -5.239 3.187 1.00 0.00 C ATOM 919 OE1 GLU B 23 -8.221 -5.250 4.117 1.00 0.00 O ATOM 920 OE2 GLU B 23 -6.177 -4.994 3.373 1.00 0.00 O ATOM 0 H GLU B 23 -7.074 -4.917 -0.781 1.00 0.00 H new ATOM 0 HA GLU B 23 -9.729 -5.575 -0.217 1.00 0.00 H new ATOM 0 HB2 GLU B 23 -7.849 -3.547 1.049 1.00 0.00 H new ATOM 0 HB3 GLU B 23 -9.374 -4.045 1.754 1.00 0.00 H new ATOM 0 HG2 GLU B 23 -8.547 -6.402 1.817 1.00 0.00 H new ATOM 0 HG3 GLU B 23 -7.008 -5.860 1.176 1.00 0.00 H new ATOM 927 N VAL B 24 -9.277 -2.486 -1.281 1.00 0.00 N ATOM 928 CA VAL B 24 -9.971 -1.340 -1.855 1.00 0.00 C ATOM 929 C VAL B 24 -10.892 -1.787 -2.989 1.00 0.00 C ATOM 930 O VAL B 24 -12.078 -1.466 -3.003 1.00 0.00 O ATOM 931 CB VAL B 24 -8.985 -0.276 -2.389 1.00 0.00 C ATOM 932 CG1 VAL B 24 -9.711 0.792 -3.195 1.00 0.00 C ATOM 933 CG2 VAL B 24 -8.231 0.366 -1.238 1.00 0.00 C ATOM 0 H VAL B 24 -8.260 -2.416 -1.302 1.00 0.00 H new ATOM 0 HA VAL B 24 -10.560 -0.890 -1.056 1.00 0.00 H new ATOM 0 HB VAL B 24 -8.275 -0.777 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL B 24 -8.992 1.526 -3.557 1.00 0.00 H new ATOM 0 HG12 VAL B 24 -10.215 0.328 -4.043 1.00 0.00 H new ATOM 0 HG13 VAL B 24 -10.448 1.287 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL B 24 -7.540 1.113 -1.628 1.00 0.00 H new ATOM 0 HG22 VAL B 24 -8.939 0.844 -0.561 1.00 0.00 H new ATOM 0 HG23 VAL B 24 -7.672 -0.398 -0.698 1.00 0.00 H new ATOM 943 N ALA B 25 -10.333 -2.555 -3.921 1.00 0.00 N ATOM 944 CA ALA B 25 -11.078 -3.040 -5.081 1.00 0.00 C ATOM 945 C ALA B 25 -12.315 -3.843 -4.677 1.00 0.00 C ATOM 946 O ALA B 25 -13.365 -3.733 -5.313 1.00 0.00 O ATOM 947 CB ALA B 25 -10.175 -3.881 -5.967 1.00 0.00 C ATOM 0 H ALA B 25 -9.359 -2.857 -3.895 1.00 0.00 H new ATOM 0 HA ALA B 25 -11.423 -2.167 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA B 25 -10.740 -4.237 -6.828 1.00 0.00 H new ATOM 0 HB2 ALA B 25 -9.335 -3.276 -6.309 1.00 0.00 H new ATOM 0 HB3 ALA B 25 -9.801 -4.734 -5.400 1.00 0.00 H new ATOM 953 N ARG B 26 -12.187 -4.653 -3.631 1.00 0.00 N ATOM 954 CA ARG B 26 -13.305 -5.456 -3.144 1.00 0.00 C ATOM 955 C ARG B 26 -14.410 -4.559 -2.616 1.00 0.00 C ATOM 956 O ARG B 26 -15.565 -4.663 -3.030 1.00 0.00 O ATOM 957 CB ARG B 26 -12.854 -6.402 -2.032 1.00 0.00 C ATOM 958 CG ARG B 26 -11.745 -7.351 -2.443 1.00 0.00 C ATOM 959 CD ARG B 26 -11.407 -8.324 -1.324 1.00 0.00 C ATOM 960 NE ARG B 26 -12.562 -9.140 -0.944 1.00 0.00 N ATOM 961 CZ ARG B 26 -12.501 -10.175 -0.111 1.00 0.00 C ATOM 962 NH1 ARG B 26 -11.348 -10.521 0.442 1.00 0.00 N ATOM 963 NH2 ARG B 26 -13.601 -10.861 0.174 1.00 0.00 N ATOM 0 H ARG B 26 -11.322 -4.771 -3.104 1.00 0.00 H new ATOM 0 HA ARG B 26 -13.681 -6.045 -3.981 1.00 0.00 H new ATOM 0 HB2 ARG B 26 -12.516 -5.811 -1.181 1.00 0.00 H new ATOM 0 HB3 ARG B 26 -13.711 -6.985 -1.695 1.00 0.00 H new ATOM 0 HG2 ARG B 26 -12.049 -7.906 -3.331 1.00 0.00 H new ATOM 0 HG3 ARG B 26 -10.856 -6.780 -2.712 1.00 0.00 H new ATOM 0 HD2 ARG B 26 -10.592 -8.974 -1.642 1.00 0.00 H new ATOM 0 HD3 ARG B 26 -11.052 -7.769 -0.455 1.00 0.00 H new ATOM 0 HE ARG B 26 -13.470 -8.900 -1.343 1.00 0.00 H new ATOM 0 HH11 ARG B 26 -10.502 -9.993 0.230 1.00 0.00 H new ATOM 0 HH12 ARG B 26 -11.307 -11.316 1.080 1.00 0.00 H new ATOM 0 HH21 ARG B 26 -14.492 -10.594 -0.246 1.00 0.00 H new ATOM 0 HH22 ARG B 26 -13.556 -11.655 0.813 1.00 0.00 H new ATOM 977 N LEU B 27 -14.037 -3.669 -1.708 1.00 0.00 N ATOM 978 CA LEU B 27 -14.992 -2.759 -1.083 1.00 0.00 C ATOM 979 C LEU B 27 -15.646 -1.840 -2.116 1.00 0.00 C ATOM 980 O LEU B 27 -16.770 -1.382 -1.917 1.00 0.00 O ATOM 981 CB LEU B 27 -14.296 -1.938 0.006 1.00 0.00 C ATOM 982 CG LEU B 27 -13.679 -2.759 1.136 1.00 0.00 C ATOM 983 CD1 LEU B 27 -12.881 -1.867 2.066 1.00 0.00 C ATOM 984 CD2 LEU B 27 -14.755 -3.503 1.909 1.00 0.00 C ATOM 0 H LEU B 27 -13.076 -3.556 -1.385 1.00 0.00 H new ATOM 0 HA LEU B 27 -15.783 -3.355 -0.628 1.00 0.00 H new ATOM 0 HB2 LEU B 27 -13.513 -1.338 -0.457 1.00 0.00 H new ATOM 0 HB3 LEU B 27 -15.019 -1.243 0.434 1.00 0.00 H new ATOM 0 HG LEU B 27 -13.004 -3.493 0.695 1.00 0.00 H new ATOM 0 HD11 LEU B 27 -12.449 -2.469 2.865 1.00 0.00 H new ATOM 0 HD12 LEU B 27 -12.083 -1.379 1.506 1.00 0.00 H new ATOM 0 HD13 LEU B 27 -13.537 -1.110 2.496 1.00 0.00 H new ATOM 0 HD21 LEU B 27 -14.294 -4.082 2.709 1.00 0.00 H new ATOM 0 HD22 LEU B 27 -15.457 -2.787 2.337 1.00 0.00 H new ATOM 0 HD23 LEU B 27 -15.288 -4.175 1.236 1.00 0.00 H new ATOM 996 N LYS B 28 -14.954 -1.599 -3.230 1.00 0.00 N ATOM 997 CA LYS B 28 -15.475 -0.751 -4.291 1.00 0.00 C ATOM 998 C LYS B 28 -16.656 -1.419 -4.980 1.00 0.00 C ATOM 999 O LYS B 28 -17.689 -0.792 -5.201 1.00 0.00 O ATOM 1000 CB LYS B 28 -14.390 -0.446 -5.326 1.00 0.00 C ATOM 1001 CG LYS B 28 -13.451 0.680 -4.933 1.00 0.00 C ATOM 1002 CD LYS B 28 -14.143 2.030 -5.005 1.00 0.00 C ATOM 1003 CE LYS B 28 -13.178 3.159 -4.697 1.00 0.00 C ATOM 1004 NZ LYS B 28 -13.804 4.493 -4.878 1.00 0.00 N ATOM 0 H LYS B 28 -14.028 -1.983 -3.417 1.00 0.00 H new ATOM 0 HA LYS B 28 -15.806 0.183 -3.837 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -13.804 -1.349 -5.498 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -14.868 -0.191 -6.272 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -13.083 0.512 -3.921 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -12.583 0.679 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -14.567 2.172 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -14.973 2.054 -4.298 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -12.823 3.062 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -12.306 3.077 -5.346 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -13.110 5.235 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -14.120 4.597 -5.863 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -14.621 4.582 -4.241 1.00 0.00 H new ATOM 1018 N LYS B 29 -16.487 -2.687 -5.340 1.00 0.00 N ATOM 1019 CA LYS B 29 -17.564 -3.461 -5.941 1.00 0.00 C ATOM 1020 C LYS B 29 -18.735 -3.598 -4.972 1.00 0.00 C ATOM 1021 O LYS B 29 -19.896 -3.550 -5.377 1.00 0.00 O ATOM 1022 CB LYS B 29 -17.051 -4.846 -6.348 1.00 0.00 C ATOM 1023 CG LYS B 29 -15.874 -4.811 -7.316 1.00 0.00 C ATOM 1024 CD LYS B 29 -15.212 -6.171 -7.440 1.00 0.00 C ATOM 1025 CE LYS B 29 -14.057 -6.136 -8.429 1.00 0.00 C ATOM 1026 NZ LYS B 29 -13.015 -5.151 -8.034 1.00 0.00 N ATOM 0 H LYS B 29 -15.613 -3.200 -5.225 1.00 0.00 H new ATOM 0 HA LYS B 29 -17.913 -2.936 -6.830 1.00 0.00 H new ATOM 0 HB2 LYS B 29 -16.755 -5.390 -5.451 1.00 0.00 H new ATOM 0 HB3 LYS B 29 -17.868 -5.405 -6.805 1.00 0.00 H new ATOM 0 HG2 LYS B 29 -16.218 -4.483 -8.297 1.00 0.00 H new ATOM 0 HG3 LYS B 29 -15.142 -4.079 -6.974 1.00 0.00 H new ATOM 0 HD2 LYS B 29 -14.848 -6.491 -6.464 1.00 0.00 H new ATOM 0 HD3 LYS B 29 -15.948 -6.908 -7.763 1.00 0.00 H new ATOM 0 HE2 LYS B 29 -13.610 -7.128 -8.500 1.00 0.00 H new ATOM 0 HE3 LYS B 29 -14.436 -5.885 -9.420 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 -12.076 -5.592 -8.106 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 -13.060 -4.326 -8.666 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 -13.180 -4.846 -7.054 1.00 0.00 H new ATOM 1040 N LEU B 30 -18.427 -3.749 -3.688 1.00 0.00 N ATOM 1041 CA LEU B 30 -19.455 -3.903 -2.665 1.00 0.00 C ATOM 1042 C LEU B 30 -20.290 -2.631 -2.527 1.00 0.00 C ATOM 1043 O LEU B 30 -21.512 -2.666 -2.673 1.00 0.00 O ATOM 1044 CB LEU B 30 -18.827 -4.267 -1.319 1.00 0.00 C ATOM 1045 CG LEU B 30 -18.026 -5.570 -1.303 1.00 0.00 C ATOM 1046 CD1 LEU B 30 -17.459 -5.828 0.083 1.00 0.00 C ATOM 1047 CD2 LEU B 30 -18.891 -6.738 -1.748 1.00 0.00 C ATOM 0 H LEU B 30 -17.472 -3.768 -3.331 1.00 0.00 H new ATOM 0 HA LEU B 30 -20.114 -4.714 -2.977 1.00 0.00 H new ATOM 0 HB2 LEU B 30 -18.171 -3.453 -1.011 1.00 0.00 H new ATOM 0 HB3 LEU B 30 -19.620 -4.338 -0.574 1.00 0.00 H new ATOM 0 HG LEU B 30 -17.197 -5.471 -2.004 1.00 0.00 H new ATOM 0 HD11 LEU B 30 -16.892 -6.759 0.077 1.00 0.00 H new ATOM 0 HD12 LEU B 30 -16.803 -5.005 0.367 1.00 0.00 H new ATOM 0 HD13 LEU B 30 -18.275 -5.905 0.801 1.00 0.00 H new ATOM 0 HD21 LEU B 30 -18.302 -7.655 -1.729 1.00 0.00 H new ATOM 0 HD22 LEU B 30 -19.741 -6.839 -1.073 1.00 0.00 H new ATOM 0 HD23 LEU B 30 -19.251 -6.559 -2.761 1.00 0.00 H new ATOM 1059 N VAL B 31 -19.632 -1.507 -2.258 1.00 0.00 N ATOM 1060 CA VAL B 31 -20.318 -0.231 -2.119 1.00 0.00 C ATOM 1061 C VAL B 31 -20.572 0.413 -3.492 1.00 0.00 C ATOM 1062 O VAL B 31 -20.878 1.603 -3.595 1.00 0.00 O ATOM 1063 CB VAL B 31 -19.506 0.731 -1.218 1.00 0.00 C ATOM 1064 CG1 VAL B 31 -18.300 1.307 -1.952 1.00 0.00 C ATOM 1065 CG2 VAL B 31 -20.392 1.836 -0.671 1.00 0.00 C ATOM 0 H VAL B 31 -18.621 -1.457 -2.132 1.00 0.00 H new ATOM 0 HA VAL B 31 -21.282 -0.421 -1.647 1.00 0.00 H new ATOM 0 HB VAL B 31 -19.126 0.152 -0.376 1.00 0.00 H new ATOM 0 HG11 VAL B 31 -17.755 1.977 -1.287 1.00 0.00 H new ATOM 0 HG12 VAL B 31 -17.644 0.495 -2.266 1.00 0.00 H new ATOM 0 HG13 VAL B 31 -18.638 1.861 -2.828 1.00 0.00 H new ATOM 0 HG21 VAL B 31 -19.799 2.499 -0.041 1.00 0.00 H new ATOM 0 HG22 VAL B 31 -20.817 2.405 -1.498 1.00 0.00 H new ATOM 0 HG23 VAL B 31 -21.197 1.398 -0.081 1.00 0.00 H new ATOM 1075 N GLY B 32 -20.462 -0.388 -4.545 1.00 0.00 N ATOM 1076 CA GLY B 32 -20.675 0.109 -5.890 1.00 0.00 C ATOM 1077 C GLY B 32 -22.145 0.227 -6.225 1.00 0.00 C ATOM 1078 O GLY B 32 -22.606 -0.298 -7.235 1.00 0.00 O ATOM 0 H GLY B 32 -20.228 -1.379 -4.490 1.00 0.00 H new ATOM 0 HA2 GLY B 32 -20.200 1.084 -5.995 1.00 0.00 H new ATOM 0 HA3 GLY B 32 -20.193 -0.559 -6.604 1.00 0.00 H new ATOM 1082 N GLU B 33 -22.878 0.910 -5.364 1.00 0.00 N ATOM 1083 CA GLU B 33 -24.300 1.108 -5.544 1.00 0.00 C ATOM 1084 C GLU B 33 -24.650 2.547 -5.201 1.00 0.00 C ATOM 1085 O GLU B 33 -24.814 3.361 -6.132 1.00 0.00 O ATOM 1086 CB GLU B 33 -25.089 0.146 -4.650 1.00 0.00 C ATOM 1087 CG GLU B 33 -26.591 0.205 -4.867 1.00 0.00 C ATOM 1088 CD GLU B 33 -27.357 -0.581 -3.827 1.00 0.00 C ATOM 1089 OE1 GLU B 33 -27.609 -1.784 -4.048 1.00 0.00 O ATOM 1090 OE2 GLU B 33 -27.716 0.000 -2.782 1.00 0.00 O ATOM 1091 OXT GLU B 33 -24.726 2.871 -3.997 1.00 0.00 O ATOM 0 H GLU B 33 -22.501 1.342 -4.520 1.00 0.00 H new ATOM 0 HA GLU B 33 -24.564 0.906 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -24.744 -0.872 -4.833 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -24.872 0.373 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -26.918 1.245 -4.845 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -26.827 -0.183 -5.858 1.00 0.00 H new TER 1098 GLU B 33