USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=16 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: B 4 LYS NZ :NH3+ 169:sc= 1.21 (180deg=-0.142) USER MOD Set 1.2: B 5 GLN : amide:sc= 0.764 K(o=2,f=-7.2!) USER MOD Set 2.1: A 4 LYS NZ :NH3+ 166:sc= 1.19 (180deg=-0.11) USER MOD Set 2.2: A 5 GLN : amide:sc= 0.726 K(o=1.9,f=-7.8!) USER MOD Set 3.1: A 2 SER OG : rot 180:sc= 0.0244 USER MOD Set 3.2: B 2 SER OG : rot 180:sc= 0.0277 USER MOD Single : A 1 GLY N :NH3+ -121:sc= 0.112 (180deg=0) USER MOD Single : A 3 MET CE :methyl -153:sc= -1.36 (180deg=-2.47!) 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -2.59 K(o=-2.6,f=-8.6!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=0.85) USER MOD Single : A 28 LYS NZ :NH3+ -161:sc=-0.00333 (180deg=-0.203) USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.0596 (180deg=-0.424) USER MOD Single : B 1 GLY N :NH3+ -121:sc= 0.115 (180deg=0) USER MOD Single : B 3 MET CE :methyl -155:sc= -1.4 (180deg=-2.44!) 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 17 ASN : amide:sc= -2.81! C(o=-2.8!,f=-8.7!) USER MOD Single : B 18 TYR OH : rot 180:sc= 0 USER MOD Single : B 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 22 ASN : amide:sc= 0 K(o=0,f=0.82) USER MOD Single : B 28 LYS NZ :NH3+ -159:sc= -0.0446 (180deg=-0.292) USER MOD Single : B 29 LYS NZ :NH3+ 161:sc= -0.0665 (180deg=-0.424) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -24.427 -5.154 -6.120 1.00 0.00 N ATOM 2 CA GLY A 1 -24.426 -4.261 -4.938 1.00 0.00 C ATOM 3 C GLY A 1 -23.087 -3.585 -4.742 1.00 0.00 C ATOM 4 O GLY A 1 -22.137 -3.858 -5.473 1.00 0.00 O ATOM 0 H1 GLY A 1 -25.161 -4.844 -6.788 1.00 0.00 H new ATOM 0 H2 GLY A 1 -23.497 -5.116 -6.585 1.00 0.00 H new ATOM 0 H3 GLY A 1 -24.623 -6.130 -5.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -25.201 -3.504 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -24.675 -4.838 -4.047 1.00 0.00 H new ATOM 10 N SER A 2 -23.002 -2.707 -3.755 1.00 0.00 N ATOM 11 CA SER A 2 -21.776 -1.969 -3.497 1.00 0.00 C ATOM 12 C SER A 2 -20.887 -2.693 -2.489 1.00 0.00 C ATOM 13 O SER A 2 -19.671 -2.499 -2.474 1.00 0.00 O ATOM 14 CB SER A 2 -22.122 -0.568 -2.988 1.00 0.00 C ATOM 15 OG SER A 2 -23.125 -0.624 -1.986 1.00 0.00 O ATOM 0 H SER A 2 -23.769 -2.488 -3.119 1.00 0.00 H new ATOM 0 HA SER A 2 -21.219 -1.893 -4.431 1.00 0.00 H new ATOM 0 HB2 SER A 2 -21.228 -0.092 -2.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 -22.466 0.050 -3.818 1.00 0.00 H new ATOM 0 HG SER A 2 -23.328 0.283 -1.675 1.00 0.00 H new ATOM 21 N MET A 3 -21.499 -3.550 -1.678 1.00 0.00 N ATOM 22 CA MET A 3 -20.813 -4.205 -0.565 1.00 0.00 C ATOM 23 C MET A 3 -19.542 -4.924 -1.011 1.00 0.00 C ATOM 24 O MET A 3 -18.452 -4.612 -0.538 1.00 0.00 O ATOM 25 CB MET A 3 -21.753 -5.199 0.126 1.00 0.00 C ATOM 26 CG MET A 3 -21.176 -5.839 1.385 1.00 0.00 C ATOM 27 SD MET A 3 -21.558 -4.925 2.901 1.00 0.00 S ATOM 28 CE MET A 3 -20.692 -3.378 2.639 1.00 0.00 C ATOM 0 H MET A 3 -22.481 -3.811 -1.771 1.00 0.00 H new ATOM 0 HA MET A 3 -20.522 -3.423 0.136 1.00 0.00 H new ATOM 0 HB2 MET A 3 -22.679 -4.685 0.385 1.00 0.00 H new ATOM 0 HB3 MET A 3 -22.013 -5.987 -0.581 1.00 0.00 H new ATOM 0 HG2 MET A 3 -21.561 -6.855 1.476 1.00 0.00 H new ATOM 0 HG3 MET A 3 -20.094 -5.917 1.280 1.00 0.00 H new ATOM 0 HE1 MET A 3 -20.429 -2.940 3.602 1.00 0.00 H new ATOM 0 HE2 MET A 3 -19.784 -3.562 2.064 1.00 0.00 H new ATOM 0 HE3 MET A 3 -21.335 -2.689 2.091 1.00 0.00 H new ATOM 38 N LYS A 4 -19.676 -5.866 -1.937 1.00 0.00 N ATOM 39 CA LYS A 4 -18.551 -6.714 -2.316 1.00 0.00 C ATOM 40 C LYS A 4 -17.678 -6.047 -3.372 1.00 0.00 C ATOM 41 O LYS A 4 -16.544 -6.453 -3.589 1.00 0.00 O ATOM 42 CB LYS A 4 -19.040 -8.075 -2.826 1.00 0.00 C ATOM 43 CG LYS A 4 -19.707 -8.028 -4.191 1.00 0.00 C ATOM 44 CD LYS A 4 -20.171 -9.410 -4.622 1.00 0.00 C ATOM 45 CE LYS A 4 -20.726 -9.407 -6.037 1.00 0.00 C ATOM 46 NZ LYS A 4 -19.677 -9.117 -7.052 1.00 0.00 N ATOM 0 H LYS A 4 -20.544 -6.061 -2.436 1.00 0.00 H new ATOM 0 HA LYS A 4 -17.947 -6.868 -1.422 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -18.192 -8.759 -2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -19.744 -8.489 -2.104 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -20.559 -7.349 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.008 -7.630 -4.927 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.336 -10.108 -4.561 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -20.936 -9.767 -3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -21.178 -10.376 -6.250 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -21.518 -8.662 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -20.035 -9.355 -7.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -19.431 -8.107 -7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -18.831 -9.686 -6.849 1.00 0.00 H new ATOM 60 N GLN A 5 -18.198 -5.003 -3.995 1.00 0.00 N ATOM 61 CA GLN A 5 -17.508 -4.339 -5.093 1.00 0.00 C ATOM 62 C GLN A 5 -16.576 -3.279 -4.543 1.00 0.00 C ATOM 63 O GLN A 5 -15.422 -3.170 -4.956 1.00 0.00 O ATOM 64 CB GLN A 5 -18.508 -3.706 -6.061 1.00 0.00 C ATOM 65 CG GLN A 5 -19.392 -4.717 -6.774 1.00 0.00 C ATOM 66 CD GLN A 5 -18.598 -5.728 -7.577 1.00 0.00 C ATOM 67 OE1 GLN A 5 -18.240 -6.793 -7.072 1.00 0.00 O ATOM 68 NE2 GLN A 5 -18.321 -5.406 -8.828 1.00 0.00 N ATOM 0 H GLN A 5 -19.102 -4.593 -3.759 1.00 0.00 H new ATOM 0 HA GLN A 5 -16.929 -5.083 -5.640 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -19.140 -3.008 -5.512 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -17.962 -3.125 -6.805 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -20.002 -5.242 -6.039 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -20.077 -4.190 -7.438 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -18.637 -4.513 -9.207 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -17.791 -6.050 -9.415 1.00 0.00 H new ATOM 77 N LEU A 6 -17.084 -2.507 -3.596 1.00 0.00 N ATOM 78 CA LEU A 6 -16.261 -1.550 -2.886 1.00 0.00 C ATOM 79 C LEU A 6 -15.232 -2.304 -2.070 1.00 0.00 C ATOM 80 O LEU A 6 -14.045 -1.989 -2.109 1.00 0.00 O ATOM 81 CB LEU A 6 -17.111 -0.660 -1.972 1.00 0.00 C ATOM 82 CG LEU A 6 -17.738 0.593 -2.607 1.00 0.00 C ATOM 83 CD1 LEU A 6 -16.676 1.646 -2.890 1.00 0.00 C ATOM 84 CD2 LEU A 6 -18.491 0.249 -3.883 1.00 0.00 C ATOM 0 H LEU A 6 -18.061 -2.526 -3.304 1.00 0.00 H new ATOM 0 HA LEU A 6 -15.764 -0.902 -3.608 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -17.915 -1.269 -1.558 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -16.489 -0.341 -1.135 1.00 0.00 H new ATOM 0 HG LEU A 6 -18.452 1.001 -1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -17.143 2.523 -3.339 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -16.189 1.932 -1.957 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -15.934 1.239 -3.577 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -18.922 1.156 -4.307 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -17.804 -0.197 -4.602 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -19.288 -0.459 -3.656 1.00 0.00 H new ATOM 96 N GLU A 7 -15.697 -3.335 -1.363 1.00 0.00 N ATOM 97 CA GLU A 7 -14.814 -4.182 -0.574 1.00 0.00 C ATOM 98 C GLU A 7 -13.767 -4.839 -1.465 1.00 0.00 C ATOM 99 O GLU A 7 -12.626 -5.043 -1.043 1.00 0.00 O ATOM 100 CB GLU A 7 -15.611 -5.253 0.173 1.00 0.00 C ATOM 101 CG GLU A 7 -14.775 -6.066 1.150 1.00 0.00 C ATOM 102 CD GLU A 7 -15.570 -7.163 1.829 1.00 0.00 C ATOM 103 OE1 GLU A 7 -16.294 -6.857 2.800 1.00 0.00 O ATOM 104 OE2 GLU A 7 -15.465 -8.328 1.392 1.00 0.00 O ATOM 0 H GLU A 7 -16.681 -3.600 -1.323 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.309 -3.552 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -16.426 -4.774 0.716 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -16.065 -5.928 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -13.932 -6.509 0.619 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -14.361 -5.401 1.908 1.00 0.00 H new ATOM 111 N ASP A 8 -14.152 -5.168 -2.703 1.00 0.00 N ATOM 112 CA ASP A 8 -13.200 -5.744 -3.654 1.00 0.00 C ATOM 113 C ASP A 8 -12.005 -4.822 -3.848 1.00 0.00 C ATOM 114 O ASP A 8 -10.862 -5.272 -3.851 1.00 0.00 O ATOM 115 CB ASP A 8 -13.847 -6.023 -5.012 1.00 0.00 C ATOM 116 CG ASP A 8 -14.236 -7.479 -5.185 1.00 0.00 C ATOM 117 OD1 ASP A 8 -13.412 -8.355 -4.851 1.00 0.00 O ATOM 118 OD2 ASP A 8 -15.357 -7.744 -5.667 1.00 0.00 O ATOM 0 H ASP A 8 -15.099 -5.048 -3.064 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.866 -6.691 -3.230 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.733 -5.398 -5.123 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.155 -5.739 -5.805 1.00 0.00 H new ATOM 123 N LYS A 9 -12.273 -3.531 -3.990 1.00 0.00 N ATOM 124 CA LYS A 9 -11.212 -2.559 -4.209 1.00 0.00 C ATOM 125 C LYS A 9 -10.406 -2.329 -2.933 1.00 0.00 C ATOM 126 O LYS A 9 -9.187 -2.172 -2.991 1.00 0.00 O ATOM 127 CB LYS A 9 -11.785 -1.232 -4.720 1.00 0.00 C ATOM 128 CG LYS A 9 -12.529 -1.347 -6.045 1.00 0.00 C ATOM 129 CD LYS A 9 -12.987 0.011 -6.555 1.00 0.00 C ATOM 130 CE LYS A 9 -14.007 0.653 -5.631 1.00 0.00 C ATOM 131 NZ LYS A 9 -14.485 1.956 -6.161 1.00 0.00 N ATOM 0 H LYS A 9 -13.212 -3.134 -3.958 1.00 0.00 H new ATOM 0 HA LYS A 9 -10.543 -2.964 -4.969 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -12.463 -0.827 -3.968 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.971 -0.516 -4.833 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.881 -1.814 -6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -13.393 -1.999 -5.921 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.124 0.670 -6.656 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.420 -0.102 -7.549 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.855 -0.020 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -13.564 0.801 -4.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -15.180 2.364 -5.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.680 2.606 -6.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -14.931 1.811 -7.089 1.00 0.00 H new ATOM 145 N VAL A 10 -11.083 -2.330 -1.786 1.00 0.00 N ATOM 146 CA VAL A 10 -10.405 -2.137 -0.503 1.00 0.00 C ATOM 147 C VAL A 10 -9.337 -3.210 -0.309 1.00 0.00 C ATOM 148 O VAL A 10 -8.167 -2.913 -0.066 1.00 0.00 O ATOM 149 CB VAL A 10 -11.370 -2.213 0.705 1.00 0.00 C ATOM 150 CG1 VAL A 10 -10.692 -1.689 1.956 1.00 0.00 C ATOM 151 CG2 VAL A 10 -12.658 -1.453 0.468 1.00 0.00 C ATOM 0 H VAL A 10 -12.092 -2.461 -1.717 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.968 -1.139 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.628 -3.264 0.836 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -11.383 -1.749 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.808 -2.290 2.170 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -10.397 -0.651 1.802 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -13.298 -1.539 1.346 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -12.432 -0.402 0.285 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.172 -1.870 -0.398 1.00 0.00 H new ATOM 161 N GLU A 11 -9.749 -4.464 -0.449 1.00 0.00 N ATOM 162 CA GLU A 11 -8.865 -5.597 -0.207 1.00 0.00 C ATOM 163 C GLU A 11 -7.876 -5.786 -1.360 1.00 0.00 C ATOM 164 O GLU A 11 -6.857 -6.460 -1.209 1.00 0.00 O ATOM 165 CB GLU A 11 -9.688 -6.870 -0.005 1.00 0.00 C ATOM 166 CG GLU A 11 -10.730 -6.757 1.099 1.00 0.00 C ATOM 167 CD GLU A 11 -10.119 -6.498 2.464 1.00 0.00 C ATOM 168 OE1 GLU A 11 -9.778 -7.478 3.157 1.00 0.00 O ATOM 169 OE2 GLU A 11 -9.982 -5.314 2.840 1.00 0.00 O ATOM 0 H GLU A 11 -10.695 -4.723 -0.730 1.00 0.00 H new ATOM 0 HA GLU A 11 -8.292 -5.392 0.697 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.188 -7.121 -0.940 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.014 -7.695 0.227 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.422 -5.950 0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -11.314 -7.677 1.136 1.00 0.00 H new ATOM 176 N GLU A 12 -8.173 -5.188 -2.508 1.00 0.00 N ATOM 177 CA GLU A 12 -7.260 -5.231 -3.642 1.00 0.00 C ATOM 178 C GLU A 12 -6.117 -4.259 -3.404 1.00 0.00 C ATOM 179 O GLU A 12 -4.951 -4.574 -3.643 1.00 0.00 O ATOM 180 CB GLU A 12 -7.985 -4.889 -4.943 1.00 0.00 C ATOM 181 CG GLU A 12 -7.102 -4.996 -6.173 1.00 0.00 C ATOM 182 CD GLU A 12 -7.842 -4.674 -7.454 1.00 0.00 C ATOM 183 OE1 GLU A 12 -8.154 -3.485 -7.673 1.00 0.00 O ATOM 184 OE2 GLU A 12 -8.101 -5.606 -8.241 1.00 0.00 O ATOM 0 H GLU A 12 -9.035 -4.670 -2.677 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.865 -6.242 -3.737 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -8.840 -5.555 -5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -8.379 -3.875 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -6.255 -4.318 -6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.696 -6.006 -6.237 1.00 0.00 H new ATOM 191 N LEU A 13 -6.456 -3.075 -2.909 1.00 0.00 N ATOM 192 CA LEU A 13 -5.446 -2.119 -2.495 1.00 0.00 C ATOM 193 C LEU A 13 -4.700 -2.661 -1.286 1.00 0.00 C ATOM 194 O LEU A 13 -3.548 -2.315 -1.049 1.00 0.00 O ATOM 195 CB LEU A 13 -6.072 -0.762 -2.171 1.00 0.00 C ATOM 196 CG LEU A 13 -6.677 -0.019 -3.365 1.00 0.00 C ATOM 197 CD1 LEU A 13 -7.207 1.333 -2.928 1.00 0.00 C ATOM 198 CD2 LEU A 13 -5.650 0.150 -4.474 1.00 0.00 C ATOM 0 H LEU A 13 -7.418 -2.758 -2.786 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.745 -1.973 -3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.851 -0.909 -1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.310 -0.128 -1.718 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.504 -0.613 -3.754 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -7.634 1.851 -3.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.976 1.194 -2.168 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.392 1.927 -2.515 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -6.103 0.681 -5.312 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.801 0.721 -4.099 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.309 -0.830 -4.807 1.00 0.00 H new ATOM 210 N LEU A 14 -5.376 -3.521 -0.534 1.00 0.00 N ATOM 211 CA LEU A 14 -4.774 -4.214 0.597 1.00 0.00 C ATOM 212 C LEU A 14 -3.707 -5.193 0.112 1.00 0.00 C ATOM 213 O LEU A 14 -2.742 -5.488 0.819 1.00 0.00 O ATOM 214 CB LEU A 14 -5.855 -4.978 1.361 1.00 0.00 C ATOM 215 CG LEU A 14 -5.458 -5.466 2.756 1.00 0.00 C ATOM 216 CD1 LEU A 14 -5.329 -4.295 3.718 1.00 0.00 C ATOM 217 CD2 LEU A 14 -6.471 -6.476 3.273 1.00 0.00 C ATOM 0 H LEU A 14 -6.356 -3.757 -0.691 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.308 -3.479 1.253 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.731 -4.336 1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.155 -5.840 0.766 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.487 -5.957 2.686 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.046 -4.664 4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.565 -3.608 3.354 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.283 -3.773 3.786 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.174 -6.813 4.266 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.455 -6.010 3.327 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.511 -7.330 2.597 1.00 0.00 H new ATOM 229 N SER A 15 -3.890 -5.682 -1.107 1.00 0.00 N ATOM 230 CA SER A 15 -2.987 -6.657 -1.695 1.00 0.00 C ATOM 231 C SER A 15 -1.686 -5.982 -2.107 1.00 0.00 C ATOM 232 O SER A 15 -0.597 -6.495 -1.841 1.00 0.00 O ATOM 233 CB SER A 15 -3.647 -7.339 -2.900 1.00 0.00 C ATOM 234 OG SER A 15 -2.818 -8.356 -3.436 1.00 0.00 O ATOM 0 H SER A 15 -4.666 -5.414 -1.713 1.00 0.00 H new ATOM 0 HA SER A 15 -2.762 -7.421 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 15 -4.603 -7.768 -2.599 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.859 -6.597 -3.670 1.00 0.00 H new ATOM 0 HG SER A 15 -3.266 -8.773 -4.201 1.00 0.00 H new ATOM 240 N LYS A 16 -1.793 -4.825 -2.748 1.00 0.00 N ATOM 241 CA LYS A 16 -0.602 -4.060 -3.085 1.00 0.00 C ATOM 242 C LYS A 16 -0.009 -3.430 -1.836 1.00 0.00 C ATOM 243 O LYS A 16 1.201 -3.292 -1.738 1.00 0.00 O ATOM 244 CB LYS A 16 -0.859 -3.001 -4.163 1.00 0.00 C ATOM 245 CG LYS A 16 -1.967 -2.006 -3.848 1.00 0.00 C ATOM 246 CD LYS A 16 -2.167 -1.021 -4.990 1.00 0.00 C ATOM 247 CE LYS A 16 -0.976 -0.091 -5.150 1.00 0.00 C ATOM 248 NZ LYS A 16 -1.107 0.767 -6.356 1.00 0.00 N ATOM 0 H LYS A 16 -2.675 -4.403 -3.040 1.00 0.00 H new ATOM 0 HA LYS A 16 0.118 -4.760 -3.508 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.065 -2.448 -4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.104 -3.508 -5.096 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.897 -2.542 -3.660 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.722 -1.463 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.327 -1.569 -5.918 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.066 -0.432 -4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -0.884 0.538 -4.264 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -0.061 -0.680 -5.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.276 1.388 -6.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.170 0.167 -7.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.967 1.347 -6.278 1.00 0.00 H new ATOM 262 N ASN A 17 -0.863 -3.071 -0.880 1.00 0.00 N ATOM 263 CA ASN A 17 -0.396 -2.630 0.435 1.00 0.00 C ATOM 264 C ASN A 17 0.488 -3.700 1.045 1.00 0.00 C ATOM 265 O ASN A 17 1.524 -3.404 1.632 1.00 0.00 O ATOM 266 CB ASN A 17 -1.574 -2.347 1.368 1.00 0.00 C ATOM 267 CG ASN A 17 -1.874 -0.870 1.496 1.00 0.00 C ATOM 268 OD1 ASN A 17 -0.971 -0.039 1.504 1.00 0.00 O ATOM 269 ND2 ASN A 17 -3.148 -0.530 1.594 1.00 0.00 N ATOM 0 H ASN A 17 -1.877 -3.076 -0.989 1.00 0.00 H new ATOM 0 HA ASN A 17 0.172 -1.708 0.307 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -2.459 -2.863 0.996 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -1.358 -2.757 2.355 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -3.408 0.452 1.680 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -3.870 -1.250 1.584 1.00 0.00 H new ATOM 276 N TYR A 18 0.077 -4.954 0.888 1.00 0.00 N ATOM 277 CA TYR A 18 0.889 -6.072 1.347 1.00 0.00 C ATOM 278 C TYR A 18 2.210 -6.106 0.580 1.00 0.00 C ATOM 279 O TYR A 18 3.283 -6.208 1.173 1.00 0.00 O ATOM 280 CB TYR A 18 0.128 -7.392 1.165 1.00 0.00 C ATOM 281 CG TYR A 18 0.871 -8.605 1.680 1.00 0.00 C ATOM 282 CD1 TYR A 18 1.685 -9.356 0.839 1.00 0.00 C ATOM 283 CD2 TYR A 18 0.760 -8.999 3.007 1.00 0.00 C ATOM 284 CE1 TYR A 18 2.365 -10.461 1.306 1.00 0.00 C ATOM 285 CE2 TYR A 18 1.437 -10.105 3.481 1.00 0.00 C ATOM 286 CZ TYR A 18 2.238 -10.830 2.627 1.00 0.00 C ATOM 287 OH TYR A 18 2.918 -11.928 3.098 1.00 0.00 O ATOM 0 H TYR A 18 -0.805 -5.219 0.450 1.00 0.00 H new ATOM 0 HA TYR A 18 1.103 -5.942 2.408 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.831 -7.321 1.678 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -0.087 -7.533 0.106 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.786 -9.069 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.134 -8.431 3.679 1.00 0.00 H new ATOM 0 HE1 TYR A 18 2.993 -11.034 0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 18 1.339 -10.400 4.515 1.00 0.00 H new ATOM 0 HH TYR A 18 2.721 -12.051 4.050 1.00 0.00 H new ATOM 297 N HIS A 19 2.115 -5.987 -0.740 1.00 0.00 N ATOM 298 CA HIS A 19 3.285 -6.032 -1.615 1.00 0.00 C ATOM 299 C HIS A 19 4.270 -4.908 -1.288 1.00 0.00 C ATOM 300 O HIS A 19 5.461 -5.156 -1.116 1.00 0.00 O ATOM 301 CB HIS A 19 2.849 -5.940 -3.083 1.00 0.00 C ATOM 302 CG HIS A 19 3.988 -5.984 -4.060 1.00 0.00 C ATOM 303 ND1 HIS A 19 4.239 -4.981 -4.971 1.00 0.00 N ATOM 304 CD2 HIS A 19 4.941 -6.921 -4.267 1.00 0.00 C ATOM 305 CE1 HIS A 19 5.296 -5.299 -5.693 1.00 0.00 C ATOM 306 NE2 HIS A 19 5.742 -6.472 -5.288 1.00 0.00 N ATOM 0 H HIS A 19 1.231 -5.857 -1.233 1.00 0.00 H new ATOM 0 HA HIS A 19 3.792 -6.982 -1.449 1.00 0.00 H new ATOM 0 HB2 HIS A 19 2.165 -6.760 -3.301 1.00 0.00 H new ATOM 0 HB3 HIS A 19 2.293 -5.014 -3.229 1.00 0.00 H new ATOM 0 HD2 HIS A 19 5.052 -7.851 -3.729 1.00 0.00 H new ATOM 0 HE1 HIS A 19 5.724 -4.700 -6.483 1.00 0.00 H new ATOM 0 HE2 HIS A 19 6.549 -6.965 -5.670 1.00 0.00 H new ATOM 315 N LEU A 20 3.765 -3.682 -1.216 1.00 0.00 N ATOM 316 CA LEU A 20 4.595 -2.514 -0.921 1.00 0.00 C ATOM 317 C LEU A 20 5.240 -2.658 0.436 1.00 0.00 C ATOM 318 O LEU A 20 6.453 -2.551 0.573 1.00 0.00 O ATOM 319 CB LEU A 20 3.756 -1.235 -0.914 1.00 0.00 C ATOM 320 CG LEU A 20 2.901 -0.994 -2.143 1.00 0.00 C ATOM 321 CD1 LEU A 20 2.297 0.394 -2.121 1.00 0.00 C ATOM 322 CD2 LEU A 20 3.690 -1.221 -3.423 1.00 0.00 C ATOM 0 H LEU A 20 2.778 -3.468 -1.359 1.00 0.00 H new ATOM 0 HA LEU A 20 5.357 -2.450 -1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 20 3.104 -1.257 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.427 -0.385 -0.790 1.00 0.00 H new ATOM 0 HG LEU A 20 2.087 -1.719 -2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.689 0.540 -3.014 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.673 0.505 -1.234 1.00 0.00 H new ATOM 0 HD13 LEU A 20 3.094 1.137 -2.099 1.00 0.00 H new ATOM 0 HD21 LEU A 20 3.047 -1.040 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.538 -0.537 -3.454 1.00 0.00 H new ATOM 0 HD23 LEU A 20 4.051 -2.249 -3.450 1.00 0.00 H new ATOM 334 N GLU A 21 4.404 -2.906 1.432 1.00 0.00 N ATOM 335 CA GLU A 21 4.849 -2.990 2.820 1.00 0.00 C ATOM 336 C GLU A 21 5.963 -4.021 2.980 1.00 0.00 C ATOM 337 O GLU A 21 6.992 -3.745 3.602 1.00 0.00 O ATOM 338 CB GLU A 21 3.678 -3.349 3.733 1.00 0.00 C ATOM 339 CG GLU A 21 3.789 -2.751 5.122 1.00 0.00 C ATOM 340 CD GLU A 21 2.670 -3.202 6.038 1.00 0.00 C ATOM 341 OE1 GLU A 21 1.576 -2.604 5.975 1.00 0.00 O ATOM 342 OE2 GLU A 21 2.888 -4.150 6.820 1.00 0.00 O ATOM 0 H GLU A 21 3.403 -3.054 1.306 1.00 0.00 H new ATOM 0 HA GLU A 21 5.240 -2.013 3.104 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.751 -3.008 3.272 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.612 -4.434 3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.747 -3.031 5.559 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.778 -1.664 5.048 1.00 0.00 H new ATOM 349 N ASN A 22 5.758 -5.202 2.407 1.00 0.00 N ATOM 350 CA ASN A 22 6.766 -6.256 2.451 1.00 0.00 C ATOM 351 C ASN A 22 7.983 -5.878 1.620 1.00 0.00 C ATOM 352 O ASN A 22 9.113 -6.230 1.967 1.00 0.00 O ATOM 353 CB ASN A 22 6.191 -7.591 1.970 1.00 0.00 C ATOM 354 CG ASN A 22 5.382 -8.296 3.043 1.00 0.00 C ATOM 355 OD1 ASN A 22 4.179 -8.080 3.178 1.00 0.00 O ATOM 356 ND2 ASN A 22 6.038 -9.150 3.812 1.00 0.00 N ATOM 0 H ASN A 22 4.905 -5.454 1.908 1.00 0.00 H new ATOM 0 HA ASN A 22 7.077 -6.371 3.489 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.560 -7.418 1.098 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.006 -8.240 1.649 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.545 -9.656 4.548 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.036 -9.302 3.669 1.00 0.00 H new ATOM 363 N GLU A 23 7.761 -5.148 0.531 1.00 0.00 N ATOM 364 CA GLU A 23 8.863 -4.695 -0.304 1.00 0.00 C ATOM 365 C GLU A 23 9.724 -3.689 0.461 1.00 0.00 C ATOM 366 O GLU A 23 10.954 -3.739 0.396 1.00 0.00 O ATOM 367 CB GLU A 23 8.343 -4.075 -1.604 1.00 0.00 C ATOM 368 CG GLU A 23 9.433 -3.806 -2.630 1.00 0.00 C ATOM 369 CD GLU A 23 10.135 -5.072 -3.086 1.00 0.00 C ATOM 370 OE1 GLU A 23 9.788 -5.587 -4.170 1.00 0.00 O ATOM 371 OE2 GLU A 23 11.027 -5.552 -2.355 1.00 0.00 O ATOM 0 H GLU A 23 6.836 -4.861 0.210 1.00 0.00 H new ATOM 0 HA GLU A 23 9.476 -5.558 -0.563 1.00 0.00 H new ATOM 0 HB2 GLU A 23 7.600 -4.741 -2.042 1.00 0.00 H new ATOM 0 HB3 GLU A 23 7.835 -3.139 -1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.997 -3.306 -3.495 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.167 -3.122 -2.203 1.00 0.00 H new ATOM 378 N VAL A 24 9.067 -2.791 1.193 1.00 0.00 N ATOM 379 CA VAL A 24 9.764 -1.815 2.025 1.00 0.00 C ATOM 380 C VAL A 24 10.631 -2.525 3.059 1.00 0.00 C ATOM 381 O VAL A 24 11.806 -2.204 3.223 1.00 0.00 O ATOM 382 CB VAL A 24 8.788 -0.875 2.775 1.00 0.00 C ATOM 383 CG1 VAL A 24 9.556 0.132 3.615 1.00 0.00 C ATOM 384 CG2 VAL A 24 7.864 -0.153 1.814 1.00 0.00 C ATOM 0 H VAL A 24 8.050 -2.720 1.226 1.00 0.00 H new ATOM 0 HA VAL A 24 10.377 -1.216 1.352 1.00 0.00 H new ATOM 0 HB VAL A 24 8.176 -1.493 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 24 8.853 0.784 4.134 1.00 0.00 H new ATOM 0 HG12 VAL A 24 10.169 -0.396 4.345 1.00 0.00 H new ATOM 0 HG13 VAL A 24 10.197 0.731 2.969 1.00 0.00 H new ATOM 0 HG21 VAL A 24 7.193 0.498 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 24 8.455 0.446 1.121 1.00 0.00 H new ATOM 0 HG23 VAL A 24 7.279 -0.883 1.255 1.00 0.00 H new ATOM 394 N ALA A 25 10.037 -3.498 3.744 1.00 0.00 N ATOM 395 CA ALA A 25 10.732 -4.248 4.784 1.00 0.00 C ATOM 396 C ALA A 25 11.973 -4.937 4.230 1.00 0.00 C ATOM 397 O ALA A 25 13.009 -5.000 4.892 1.00 0.00 O ATOM 398 CB ALA A 25 9.793 -5.271 5.411 1.00 0.00 C ATOM 0 H ALA A 25 9.070 -3.786 3.596 1.00 0.00 H new ATOM 0 HA ALA A 25 11.053 -3.544 5.552 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.323 -5.825 6.186 1.00 0.00 H new ATOM 0 HB2 ALA A 25 8.938 -4.758 5.852 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.445 -5.963 4.644 1.00 0.00 H new ATOM 404 N ARG A 26 11.860 -5.449 3.012 1.00 0.00 N ATOM 405 CA ARG A 26 12.980 -6.102 2.349 1.00 0.00 C ATOM 406 C ARG A 26 14.095 -5.098 2.071 1.00 0.00 C ATOM 407 O ARG A 26 15.245 -5.307 2.457 1.00 0.00 O ATOM 408 CB ARG A 26 12.512 -6.744 1.042 1.00 0.00 C ATOM 409 CG ARG A 26 13.594 -7.525 0.313 1.00 0.00 C ATOM 410 CD ARG A 26 13.067 -8.126 -0.979 1.00 0.00 C ATOM 411 NE ARG A 26 11.913 -8.994 -0.745 1.00 0.00 N ATOM 412 CZ ARG A 26 11.026 -9.325 -1.680 1.00 0.00 C ATOM 413 NH1 ARG A 26 11.155 -8.870 -2.919 1.00 0.00 N ATOM 414 NH2 ARG A 26 10.007 -10.118 -1.371 1.00 0.00 N ATOM 0 H ARG A 26 11.001 -5.424 2.462 1.00 0.00 H new ATOM 0 HA ARG A 26 13.370 -6.879 3.007 1.00 0.00 H new ATOM 0 HB2 ARG A 26 11.678 -7.412 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 26 12.134 -5.964 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 26 14.435 -6.867 0.094 1.00 0.00 H new ATOM 0 HG3 ARG A 26 13.970 -8.319 0.959 1.00 0.00 H new ATOM 0 HD2 ARG A 26 12.787 -7.326 -1.664 1.00 0.00 H new ATOM 0 HD3 ARG A 26 13.859 -8.697 -1.463 1.00 0.00 H new ATOM 0 HE ARG A 26 11.780 -9.369 0.194 1.00 0.00 H new ATOM 0 HH11 ARG A 26 11.938 -8.262 -3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 26 10.471 -9.128 -3.631 1.00 0.00 H new ATOM 0 HH21 ARG A 26 9.906 -10.471 -0.419 1.00 0.00 H new ATOM 0 HH22 ARG A 26 9.325 -10.374 -2.085 1.00 0.00 H new ATOM 428 N LEU A 27 13.736 -3.996 1.423 1.00 0.00 N ATOM 429 CA LEU A 27 14.697 -2.948 1.086 1.00 0.00 C ATOM 430 C LEU A 27 15.323 -2.354 2.341 1.00 0.00 C ATOM 431 O LEU A 27 16.509 -2.030 2.361 1.00 0.00 O ATOM 432 CB LEU A 27 14.020 -1.835 0.286 1.00 0.00 C ATOM 433 CG LEU A 27 14.034 -1.983 -1.243 1.00 0.00 C ATOM 434 CD1 LEU A 27 13.701 -3.401 -1.676 1.00 0.00 C ATOM 435 CD2 LEU A 27 13.056 -1.006 -1.870 1.00 0.00 C ATOM 0 H LEU A 27 12.782 -3.803 1.118 1.00 0.00 H new ATOM 0 HA LEU A 27 15.481 -3.404 0.482 1.00 0.00 H new ATOM 0 HB2 LEU A 27 12.982 -1.763 0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 27 14.500 -0.891 0.542 1.00 0.00 H new ATOM 0 HG LEU A 27 15.044 -1.759 -1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 27 13.721 -3.463 -2.764 1.00 0.00 H new ATOM 0 HD12 LEU A 27 14.435 -4.091 -1.259 1.00 0.00 H new ATOM 0 HD13 LEU A 27 12.707 -3.668 -1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 27 13.073 -1.119 -2.954 1.00 0.00 H new ATOM 0 HD22 LEU A 27 12.051 -1.209 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 27 13.340 0.013 -1.607 1.00 0.00 H new ATOM 447 N LYS A 28 14.517 -2.222 3.386 1.00 0.00 N ATOM 448 CA LYS A 28 14.969 -1.633 4.638 1.00 0.00 C ATOM 449 C LYS A 28 16.079 -2.476 5.266 1.00 0.00 C ATOM 450 O LYS A 28 16.930 -1.956 5.979 1.00 0.00 O ATOM 451 CB LYS A 28 13.797 -1.491 5.614 1.00 0.00 C ATOM 452 CG LYS A 28 14.128 -0.735 6.899 1.00 0.00 C ATOM 453 CD LYS A 28 14.376 0.752 6.654 1.00 0.00 C ATOM 454 CE LYS A 28 15.848 1.065 6.403 1.00 0.00 C ATOM 455 NZ LYS A 28 16.707 0.681 7.554 1.00 0.00 N ATOM 0 H LYS A 28 13.541 -2.517 3.390 1.00 0.00 H new ATOM 0 HA LYS A 28 15.370 -0.643 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.979 -0.979 5.107 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.437 -2.486 5.876 1.00 0.00 H new ATOM 0 HG2 LYS A 28 13.308 -0.852 7.607 1.00 0.00 H new ATOM 0 HG3 LYS A 28 15.012 -1.177 7.359 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.787 1.079 5.797 1.00 0.00 H new ATOM 0 HD3 LYS A 28 14.028 1.322 7.516 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.183 0.538 5.510 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.963 2.131 6.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 17.615 1.184 7.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.230 0.934 8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.878 -0.345 7.533 1.00 0.00 H new ATOM 469 N LYS A 29 16.064 -3.776 4.992 1.00 0.00 N ATOM 470 CA LYS A 29 17.106 -4.669 5.485 1.00 0.00 C ATOM 471 C LYS A 29 18.407 -4.442 4.728 1.00 0.00 C ATOM 472 O LYS A 29 19.495 -4.553 5.292 1.00 0.00 O ATOM 473 CB LYS A 29 16.681 -6.131 5.347 1.00 0.00 C ATOM 474 CG LYS A 29 15.486 -6.509 6.201 1.00 0.00 C ATOM 475 CD LYS A 29 15.777 -6.343 7.682 1.00 0.00 C ATOM 476 CE LYS A 29 14.636 -6.878 8.533 1.00 0.00 C ATOM 477 NZ LYS A 29 14.436 -8.339 8.335 1.00 0.00 N ATOM 0 H LYS A 29 15.344 -4.234 4.433 1.00 0.00 H new ATOM 0 HA LYS A 29 17.263 -4.447 6.540 1.00 0.00 H new ATOM 0 HB2 LYS A 29 16.446 -6.333 4.302 1.00 0.00 H new ATOM 0 HB3 LYS A 29 17.522 -6.770 5.614 1.00 0.00 H new ATOM 0 HG2 LYS A 29 14.632 -5.889 5.927 1.00 0.00 H new ATOM 0 HG3 LYS A 29 15.207 -7.543 5.999 1.00 0.00 H new ATOM 0 HD2 LYS A 29 16.699 -6.867 7.935 1.00 0.00 H new ATOM 0 HD3 LYS A 29 15.938 -5.289 7.907 1.00 0.00 H new ATOM 0 HE2 LYS A 29 14.843 -6.679 9.585 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.717 -6.348 8.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 13.881 -8.724 9.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.927 -8.502 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 15.360 -8.814 8.298 1.00 0.00 H new ATOM 491 N LEU A 30 18.290 -4.128 3.448 1.00 0.00 N ATOM 492 CA LEU A 30 19.455 -3.846 2.618 1.00 0.00 C ATOM 493 C LEU A 30 20.011 -2.465 2.943 1.00 0.00 C ATOM 494 O LEU A 30 21.214 -2.231 2.856 1.00 0.00 O ATOM 495 CB LEU A 30 19.116 -3.957 1.126 1.00 0.00 C ATOM 496 CG LEU A 30 19.079 -5.385 0.564 1.00 0.00 C ATOM 497 CD1 LEU A 30 17.955 -6.199 1.183 1.00 0.00 C ATOM 498 CD2 LEU A 30 18.939 -5.359 -0.949 1.00 0.00 C ATOM 0 H LEU A 30 17.398 -4.061 2.958 1.00 0.00 H new ATOM 0 HA LEU A 30 20.218 -4.592 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 18.145 -3.492 0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 30 19.848 -3.381 0.560 1.00 0.00 H new ATOM 0 HG LEU A 30 20.022 -5.866 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 30 17.959 -7.204 0.762 1.00 0.00 H new ATOM 0 HD12 LEU A 30 18.099 -6.257 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 30 16.999 -5.720 0.970 1.00 0.00 H new ATOM 0 HD21 LEU A 30 18.915 -6.380 -1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 30 18.015 -4.848 -1.220 1.00 0.00 H new ATOM 0 HD23 LEU A 30 19.787 -4.830 -1.384 1.00 0.00 H new ATOM 510 N VAL A 31 19.122 -1.562 3.335 1.00 0.00 N ATOM 511 CA VAL A 31 19.519 -0.256 3.844 1.00 0.00 C ATOM 512 C VAL A 31 19.536 -0.316 5.373 1.00 0.00 C ATOM 513 O VAL A 31 19.220 0.653 6.071 1.00 0.00 O ATOM 514 CB VAL A 31 18.560 0.865 3.371 1.00 0.00 C ATOM 515 CG1 VAL A 31 19.154 2.242 3.633 1.00 0.00 C ATOM 516 CG2 VAL A 31 18.224 0.706 1.898 1.00 0.00 C ATOM 0 H VAL A 31 18.113 -1.712 3.310 1.00 0.00 H new ATOM 0 HA VAL A 31 20.509 -0.017 3.456 1.00 0.00 H new ATOM 0 HB VAL A 31 17.639 0.776 3.946 1.00 0.00 H new ATOM 0 HG11 VAL A 31 18.459 3.009 3.291 1.00 0.00 H new ATOM 0 HG12 VAL A 31 19.332 2.364 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 31 20.097 2.340 3.094 1.00 0.00 H new ATOM 0 HG21 VAL A 31 17.549 1.505 1.590 1.00 0.00 H new ATOM 0 HG22 VAL A 31 19.139 0.757 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 31 17.742 -0.258 1.737 1.00 0.00 H new ATOM 526 N GLY A 32 19.873 -1.489 5.883 1.00 0.00 N ATOM 527 CA GLY A 32 19.852 -1.718 7.309 1.00 0.00 C ATOM 528 C GLY A 32 21.059 -2.497 7.783 1.00 0.00 C ATOM 529 O GLY A 32 21.757 -2.076 8.704 1.00 0.00 O ATOM 0 H GLY A 32 20.163 -2.294 5.327 1.00 0.00 H new ATOM 0 HA2 GLY A 32 19.814 -0.760 7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.945 -2.261 7.574 1.00 0.00 H new ATOM 533 N GLU A 33 21.300 -3.636 7.152 1.00 0.00 N ATOM 534 CA GLU A 33 22.431 -4.482 7.496 1.00 0.00 C ATOM 535 C GLU A 33 23.487 -4.421 6.400 1.00 0.00 C ATOM 536 O GLU A 33 24.398 -3.575 6.500 1.00 0.00 O ATOM 537 CB GLU A 33 21.967 -5.924 7.705 1.00 0.00 C ATOM 538 CG GLU A 33 20.967 -6.086 8.836 1.00 0.00 C ATOM 539 CD GLU A 33 20.470 -7.511 8.976 1.00 0.00 C ATOM 540 OE1 GLU A 33 19.315 -7.778 8.581 1.00 0.00 O ATOM 541 OE2 GLU A 33 21.235 -8.360 9.475 1.00 0.00 O ATOM 542 OXT GLU A 33 23.389 -5.205 5.430 1.00 0.00 O ATOM 0 H GLU A 33 20.722 -3.997 6.393 1.00 0.00 H new ATOM 0 HA GLU A 33 22.871 -4.118 8.425 1.00 0.00 H new ATOM 0 HB2 GLU A 33 21.519 -6.290 6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 33 22.836 -6.550 7.908 1.00 0.00 H new ATOM 0 HG2 GLU A 33 21.429 -5.773 9.772 1.00 0.00 H new ATOM 0 HG3 GLU A 33 20.118 -5.425 8.663 1.00 0.00 H new TER 549 GLU A 33 ATOM 550 N GLY B 1 -24.617 5.315 5.084 1.00 0.00 N ATOM 551 CA GLY B 1 -24.578 4.411 3.910 1.00 0.00 C ATOM 552 C GLY B 1 -23.243 3.710 3.788 1.00 0.00 C ATOM 553 O GLY B 1 -22.338 3.956 4.583 1.00 0.00 O ATOM 0 H1 GLY B 1 -25.388 5.026 5.719 1.00 0.00 H new ATOM 0 H2 GLY B 1 -23.711 5.263 5.592 1.00 0.00 H new ATOM 0 H3 GLY B 1 -24.779 6.291 4.765 1.00 0.00 H new ATOM 0 HA2 GLY B 1 -25.372 3.669 3.995 1.00 0.00 H new ATOM 0 HA3 GLY B 1 -24.773 4.984 3.003 1.00 0.00 H new ATOM 559 N SER B 2 -23.115 2.839 2.799 1.00 0.00 N ATOM 560 CA SER B 2 -21.885 2.088 2.597 1.00 0.00 C ATOM 561 C SER B 2 -20.953 2.799 1.616 1.00 0.00 C ATOM 562 O SER B 2 -19.739 2.596 1.646 1.00 0.00 O ATOM 563 CB SER B 2 -22.220 0.687 2.084 1.00 0.00 C ATOM 564 OG SER B 2 -23.180 0.747 1.041 1.00 0.00 O ATOM 0 H SER B 2 -23.850 2.634 2.122 1.00 0.00 H new ATOM 0 HA SER B 2 -21.367 2.014 3.553 1.00 0.00 H new ATOM 0 HB2 SER B 2 -21.314 0.201 1.722 1.00 0.00 H new ATOM 0 HB3 SER B 2 -22.603 0.078 2.902 1.00 0.00 H new ATOM 0 HG SER B 2 -23.378 -0.160 0.726 1.00 0.00 H new ATOM 570 N MET B 3 -21.530 3.652 0.777 1.00 0.00 N ATOM 571 CA MET B 3 -20.798 4.295 -0.315 1.00 0.00 C ATOM 572 C MET B 3 -19.542 5.012 0.177 1.00 0.00 C ATOM 573 O MET B 3 -18.435 4.692 -0.251 1.00 0.00 O ATOM 574 CB MET B 3 -21.705 5.287 -1.051 1.00 0.00 C ATOM 575 CG MET B 3 -21.076 5.914 -2.290 1.00 0.00 C ATOM 576 SD MET B 3 -21.404 4.994 -3.815 1.00 0.00 S ATOM 577 CE MET B 3 -20.565 3.441 -3.503 1.00 0.00 C ATOM 0 H MET B 3 -22.513 3.918 0.831 1.00 0.00 H new ATOM 0 HA MET B 3 -20.484 3.507 -0.999 1.00 0.00 H new ATOM 0 HB2 MET B 3 -22.622 4.775 -1.343 1.00 0.00 H new ATOM 0 HB3 MET B 3 -21.990 6.081 -0.361 1.00 0.00 H new ATOM 0 HG2 MET B 3 -21.451 6.931 -2.402 1.00 0.00 H new ATOM 0 HG3 MET B 3 -19.998 5.985 -2.143 1.00 0.00 H new ATOM 0 HE1 MET B 3 -20.297 2.975 -4.451 1.00 0.00 H new ATOM 0 HE2 MET B 3 -19.662 3.626 -2.921 1.00 0.00 H new ATOM 0 HE3 MET B 3 -21.225 2.776 -2.946 1.00 0.00 H new ATOM 587 N LYS B 4 -19.706 5.959 1.092 1.00 0.00 N ATOM 588 CA LYS B 4 -18.591 6.804 1.510 1.00 0.00 C ATOM 589 C LYS B 4 -17.766 6.138 2.605 1.00 0.00 C ATOM 590 O LYS B 4 -16.643 6.543 2.871 1.00 0.00 O ATOM 591 CB LYS B 4 -19.092 8.169 1.994 1.00 0.00 C ATOM 592 CG LYS B 4 -19.815 8.137 3.330 1.00 0.00 C ATOM 593 CD LYS B 4 -20.284 9.526 3.734 1.00 0.00 C ATOM 594 CE LYS B 4 -20.901 9.534 5.123 1.00 0.00 C ATOM 595 NZ LYS B 4 -19.897 9.247 6.182 1.00 0.00 N ATOM 0 H LYS B 4 -20.591 6.161 1.556 1.00 0.00 H new ATOM 0 HA LYS B 4 -17.952 6.949 0.639 1.00 0.00 H new ATOM 0 HB2 LYS B 4 -18.242 8.847 2.071 1.00 0.00 H new ATOM 0 HB3 LYS B 4 -19.763 8.583 1.242 1.00 0.00 H new ATOM 0 HG2 LYS B 4 -20.671 7.465 3.267 1.00 0.00 H new ATOM 0 HG3 LYS B 4 -19.151 7.737 4.096 1.00 0.00 H new ATOM 0 HD2 LYS B 4 -19.441 10.216 3.707 1.00 0.00 H new ATOM 0 HD3 LYS B 4 -21.014 9.887 3.010 1.00 0.00 H new ATOM 0 HE2 LYS B 4 -21.358 10.506 5.311 1.00 0.00 H new ATOM 0 HE3 LYS B 4 -21.699 8.792 5.169 1.00 0.00 H new ATOM 0 HZ1 LYS B 4 -20.311 9.444 7.115 1.00 0.00 H new ATOM 0 HZ2 LYS B 4 -19.616 8.247 6.132 1.00 0.00 H new ATOM 0 HZ3 LYS B 4 -19.061 9.849 6.040 1.00 0.00 H new ATOM 609 N GLN B 5 -18.316 5.099 3.209 1.00 0.00 N ATOM 610 CA GLN B 5 -17.677 4.439 4.339 1.00 0.00 C ATOM 611 C GLN B 5 -16.729 3.372 3.835 1.00 0.00 C ATOM 612 O GLN B 5 -15.592 3.261 4.292 1.00 0.00 O ATOM 613 CB GLN B 5 -18.719 3.820 5.271 1.00 0.00 C ATOM 614 CG GLN B 5 -19.622 4.841 5.942 1.00 0.00 C ATOM 615 CD GLN B 5 -18.853 5.845 6.778 1.00 0.00 C ATOM 616 OE1 GLN B 5 -18.450 6.901 6.288 1.00 0.00 O ATOM 617 NE2 GLN B 5 -18.635 5.521 8.040 1.00 0.00 N ATOM 0 H GLN B 5 -19.210 4.691 2.935 1.00 0.00 H new ATOM 0 HA GLN B 5 -17.117 5.183 4.905 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -19.334 3.123 4.702 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -18.207 3.240 6.039 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -20.193 5.371 5.180 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -20.341 4.322 6.576 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -18.986 4.636 8.407 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -18.116 6.155 8.647 1.00 0.00 H new ATOM 626 N LEU B 6 -17.203 2.596 2.876 1.00 0.00 N ATOM 627 CA LEU B 6 -16.359 1.629 2.209 1.00 0.00 C ATOM 628 C LEU B 6 -15.293 2.372 1.431 1.00 0.00 C ATOM 629 O LEU B 6 -14.110 2.050 1.522 1.00 0.00 O ATOM 630 CB LEU B 6 -17.176 0.739 1.265 1.00 0.00 C ATOM 631 CG LEU B 6 -17.835 -0.507 1.881 1.00 0.00 C ATOM 632 CD1 LEU B 6 -16.794 -1.566 2.214 1.00 0.00 C ATOM 633 CD2 LEU B 6 -18.638 -0.147 3.122 1.00 0.00 C ATOM 0 H LEU B 6 -18.167 2.619 2.544 1.00 0.00 H new ATOM 0 HA LEU B 6 -15.898 0.982 2.956 1.00 0.00 H new ATOM 0 HB2 LEU B 6 -17.959 1.350 0.815 1.00 0.00 H new ATOM 0 HB3 LEU B 6 -16.523 0.412 0.456 1.00 0.00 H new ATOM 0 HG LEU B 6 -18.519 -0.918 1.139 1.00 0.00 H new ATOM 0 HD11 LEU B 6 -17.286 -2.436 2.648 1.00 0.00 H new ATOM 0 HD12 LEU B 6 -16.271 -1.861 1.304 1.00 0.00 H new ATOM 0 HD13 LEU B 6 -16.078 -1.160 2.929 1.00 0.00 H new ATOM 0 HD21 LEU B 6 -19.092 -1.048 3.535 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -17.978 0.301 3.865 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -19.420 0.564 2.856 1.00 0.00 H new ATOM 645 N GLU B 7 -15.724 3.400 0.698 1.00 0.00 N ATOM 646 CA GLU B 7 -14.804 4.234 -0.061 1.00 0.00 C ATOM 647 C GLU B 7 -13.788 4.892 0.867 1.00 0.00 C ATOM 648 O GLU B 7 -12.628 5.081 0.490 1.00 0.00 O ATOM 649 CB GLU B 7 -15.561 5.305 -0.848 1.00 0.00 C ATOM 650 CG GLU B 7 -14.682 6.103 -1.795 1.00 0.00 C ATOM 651 CD GLU B 7 -15.443 7.198 -2.510 1.00 0.00 C ATOM 652 OE1 GLU B 7 -16.116 6.893 -3.517 1.00 0.00 O ATOM 653 OE2 GLU B 7 -15.363 8.361 -2.065 1.00 0.00 O ATOM 0 H GLU B 7 -16.704 3.671 0.617 1.00 0.00 H new ATOM 0 HA GLU B 7 -14.275 3.593 -0.767 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -16.357 4.828 -1.420 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -16.039 5.989 -0.147 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -13.858 6.544 -1.235 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -14.243 5.430 -2.531 1.00 0.00 H new ATOM 660 N ASP B 8 -14.220 5.232 2.085 1.00 0.00 N ATOM 661 CA ASP B 8 -13.304 5.810 3.070 1.00 0.00 C ATOM 662 C ASP B 8 -12.123 4.886 3.320 1.00 0.00 C ATOM 663 O ASP B 8 -10.978 5.333 3.371 1.00 0.00 O ATOM 664 CB ASP B 8 -14.006 6.105 4.397 1.00 0.00 C ATOM 665 CG ASP B 8 -14.397 7.562 4.531 1.00 0.00 C ATOM 666 OD1 ASP B 8 -13.558 8.431 4.227 1.00 0.00 O ATOM 667 OD2 ASP B 8 -15.538 7.836 4.953 1.00 0.00 O ATOM 0 H ASP B 8 -15.181 5.119 2.408 1.00 0.00 H new ATOM 0 HA ASP B 8 -12.946 6.751 2.653 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -14.897 5.483 4.480 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -13.348 5.831 5.222 1.00 0.00 H new ATOM 672 N LYS B 9 -12.402 3.596 3.457 1.00 0.00 N ATOM 673 CA LYS B 9 -11.358 2.618 3.724 1.00 0.00 C ATOM 674 C LYS B 9 -10.503 2.374 2.485 1.00 0.00 C ATOM 675 O LYS B 9 -9.287 2.209 2.592 1.00 0.00 O ATOM 676 CB LYS B 9 -11.960 1.297 4.221 1.00 0.00 C ATOM 677 CG LYS B 9 -12.756 1.425 5.515 1.00 0.00 C ATOM 678 CD LYS B 9 -13.245 0.075 6.014 1.00 0.00 C ATOM 679 CE LYS B 9 -14.229 -0.569 5.052 1.00 0.00 C ATOM 680 NZ LYS B 9 -14.732 -1.865 5.573 1.00 0.00 N ATOM 0 H LYS B 9 -13.341 3.204 3.388 1.00 0.00 H new ATOM 0 HA LYS B 9 -10.718 3.025 4.507 1.00 0.00 H new ATOM 0 HB2 LYS B 9 -12.610 0.892 3.446 1.00 0.00 H new ATOM 0 HB3 LYS B 9 -11.156 0.577 4.371 1.00 0.00 H new ATOM 0 HG2 LYS B 9 -12.134 1.891 6.279 1.00 0.00 H new ATOM 0 HG3 LYS B 9 -13.609 2.083 5.353 1.00 0.00 H new ATOM 0 HD2 LYS B 9 -12.392 -0.588 6.157 1.00 0.00 H new ATOM 0 HD3 LYS B 9 -13.719 0.199 6.988 1.00 0.00 H new ATOM 0 HE2 LYS B 9 -15.068 0.106 4.882 1.00 0.00 H new ATOM 0 HE3 LYS B 9 -13.746 -0.726 4.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 9 -15.401 -2.277 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS B 9 -13.934 -2.517 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS B 9 -15.214 -1.710 6.481 1.00 0.00 H new ATOM 694 N VAL B 10 -11.134 2.367 1.310 1.00 0.00 N ATOM 695 CA VAL B 10 -10.408 2.163 0.057 1.00 0.00 C ATOM 696 C VAL B 10 -9.327 3.229 -0.100 1.00 0.00 C ATOM 697 O VAL B 10 -8.151 2.925 -0.296 1.00 0.00 O ATOM 698 CB VAL B 10 -11.325 2.237 -1.188 1.00 0.00 C ATOM 699 CG1 VAL B 10 -10.602 1.703 -2.410 1.00 0.00 C ATOM 700 CG2 VAL B 10 -12.625 1.485 -0.997 1.00 0.00 C ATOM 0 H VAL B 10 -12.139 2.499 1.200 1.00 0.00 H new ATOM 0 HA VAL B 10 -9.978 1.163 0.114 1.00 0.00 H new ATOM 0 HB VAL B 10 -11.572 3.289 -1.334 1.00 0.00 H new ATOM 0 HG11 VAL B 10 -11.260 1.762 -3.277 1.00 0.00 H new ATOM 0 HG12 VAL B 10 -9.707 2.298 -2.593 1.00 0.00 H new ATOM 0 HG13 VAL B 10 -10.318 0.664 -2.240 1.00 0.00 H new ATOM 0 HG21 VAL B 10 -13.230 1.569 -1.900 1.00 0.00 H new ATOM 0 HG22 VAL B 10 -12.412 0.434 -0.800 1.00 0.00 H new ATOM 0 HG23 VAL B 10 -13.170 1.909 -0.154 1.00 0.00 H new ATOM 710 N GLU B 11 -9.737 4.486 0.015 1.00 0.00 N ATOM 711 CA GLU B 11 -8.836 5.611 -0.201 1.00 0.00 C ATOM 712 C GLU B 11 -7.893 5.803 0.990 1.00 0.00 C ATOM 713 O GLU B 11 -6.871 6.478 0.878 1.00 0.00 O ATOM 714 CB GLU B 11 -9.643 6.887 -0.444 1.00 0.00 C ATOM 715 CG GLU B 11 -10.639 6.776 -1.590 1.00 0.00 C ATOM 716 CD GLU B 11 -9.973 6.507 -2.927 1.00 0.00 C ATOM 717 OE1 GLU B 11 -9.595 7.483 -3.606 1.00 0.00 O ATOM 718 OE2 GLU B 11 -9.831 5.320 -3.293 1.00 0.00 O ATOM 0 H GLU B 11 -10.691 4.753 0.258 1.00 0.00 H new ATOM 0 HA GLU B 11 -8.229 5.396 -1.080 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -10.181 7.145 0.468 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -8.955 7.707 -0.651 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -11.346 5.975 -1.374 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -11.214 7.700 -1.656 1.00 0.00 H new ATOM 725 N GLU B 12 -8.239 5.214 2.128 1.00 0.00 N ATOM 726 CA GLU B 12 -7.371 5.258 3.297 1.00 0.00 C ATOM 727 C GLU B 12 -6.225 4.278 3.110 1.00 0.00 C ATOM 728 O GLU B 12 -5.067 4.591 3.391 1.00 0.00 O ATOM 729 CB GLU B 12 -8.147 4.929 4.571 1.00 0.00 C ATOM 730 CG GLU B 12 -7.312 5.040 5.835 1.00 0.00 C ATOM 731 CD GLU B 12 -8.110 4.741 7.086 1.00 0.00 C ATOM 732 OE1 GLU B 12 -8.451 3.560 7.300 1.00 0.00 O ATOM 733 OE2 GLU B 12 -8.387 5.685 7.854 1.00 0.00 O ATOM 0 H GLU B 12 -9.111 4.702 2.266 1.00 0.00 H new ATOM 0 HA GLU B 12 -6.974 6.268 3.401 1.00 0.00 H new ATOM 0 HB2 GLU B 12 -9.002 5.601 4.650 1.00 0.00 H new ATOM 0 HB3 GLU B 12 -8.543 3.916 4.494 1.00 0.00 H new ATOM 0 HG2 GLU B 12 -6.470 4.351 5.772 1.00 0.00 H new ATOM 0 HG3 GLU B 12 -6.896 6.045 5.905 1.00 0.00 H new ATOM 740 N LEU B 13 -6.551 3.093 2.610 1.00 0.00 N ATOM 741 CA LEU B 13 -5.532 2.127 2.243 1.00 0.00 C ATOM 742 C LEU B 13 -4.735 2.657 1.062 1.00 0.00 C ATOM 743 O LEU B 13 -3.577 2.304 0.872 1.00 0.00 O ATOM 744 CB LEU B 13 -6.153 0.771 1.903 1.00 0.00 C ATOM 745 CG LEU B 13 -6.810 0.040 3.076 1.00 0.00 C ATOM 746 CD1 LEU B 13 -7.331 -1.313 2.629 1.00 0.00 C ATOM 747 CD2 LEU B 13 -5.830 -0.129 4.227 1.00 0.00 C ATOM 0 H LEU B 13 -7.509 2.782 2.451 1.00 0.00 H new ATOM 0 HA LEU B 13 -4.866 1.981 3.094 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.900 0.917 1.123 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -5.377 0.129 1.485 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.648 0.643 3.425 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -7.796 -1.821 3.474 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -8.068 -1.176 1.838 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.504 -1.915 2.253 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.320 -0.651 5.049 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -4.970 -0.708 3.891 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.496 0.851 4.568 1.00 0.00 H new ATOM 759 N LEU B 14 -5.375 3.519 0.281 1.00 0.00 N ATOM 760 CA LEU B 14 -4.725 4.201 -0.832 1.00 0.00 C ATOM 761 C LEU B 14 -3.675 5.183 -0.310 1.00 0.00 C ATOM 762 O LEU B 14 -2.691 5.483 -0.984 1.00 0.00 O ATOM 763 CB LEU B 14 -5.770 4.965 -1.644 1.00 0.00 C ATOM 764 CG LEU B 14 -5.313 5.443 -3.024 1.00 0.00 C ATOM 765 CD1 LEU B 14 -5.153 4.265 -3.974 1.00 0.00 C ATOM 766 CD2 LEU B 14 -6.297 6.456 -3.587 1.00 0.00 C ATOM 0 H LEU B 14 -6.358 3.765 0.401 1.00 0.00 H new ATOM 0 HA LEU B 14 -4.237 3.458 -1.463 1.00 0.00 H new ATOM 0 HB2 LEU B 14 -6.644 4.326 -1.771 1.00 0.00 H new ATOM 0 HB3 LEU B 14 -6.091 5.832 -1.066 1.00 0.00 H new ATOM 0 HG LEU B 14 -4.343 5.928 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU B 14 -4.828 4.626 -4.950 1.00 0.00 H new ATOM 0 HD12 LEU B 14 -4.409 3.575 -3.576 1.00 0.00 H new ATOM 0 HD13 LEU B 14 -6.108 3.749 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU B 14 -5.958 6.786 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU B 14 -7.281 5.995 -3.679 1.00 0.00 H new ATOM 0 HD23 LEU B 14 -6.359 7.314 -2.917 1.00 0.00 H new ATOM 778 N SER B 15 -3.903 5.674 0.899 1.00 0.00 N ATOM 779 CA SER B 15 -3.018 6.645 1.518 1.00 0.00 C ATOM 780 C SER B 15 -1.737 5.965 1.983 1.00 0.00 C ATOM 781 O SER B 15 -0.636 6.465 1.749 1.00 0.00 O ATOM 782 CB SER B 15 -3.724 7.334 2.691 1.00 0.00 C ATOM 783 OG SER B 15 -2.912 8.344 3.269 1.00 0.00 O ATOM 0 H SER B 15 -4.703 5.411 1.475 1.00 0.00 H new ATOM 0 HA SER B 15 -2.757 7.405 0.782 1.00 0.00 H new ATOM 0 HB2 SER B 15 -4.660 7.772 2.346 1.00 0.00 H new ATOM 0 HB3 SER B 15 -3.979 6.593 3.449 1.00 0.00 H new ATOM 0 HG SER B 15 -3.392 8.764 4.013 1.00 0.00 H new ATOM 789 N LYS B 16 -1.876 4.815 2.630 1.00 0.00 N ATOM 790 CA LYS B 16 -0.704 4.046 3.023 1.00 0.00 C ATOM 791 C LYS B 16 -0.065 3.401 1.802 1.00 0.00 C ATOM 792 O LYS B 16 1.147 3.250 1.756 1.00 0.00 O ATOM 793 CB LYS B 16 -1.012 2.998 4.098 1.00 0.00 C ATOM 794 CG LYS B 16 -2.111 2.006 3.742 1.00 0.00 C ATOM 795 CD LYS B 16 -2.365 1.029 4.878 1.00 0.00 C ATOM 796 CE LYS B 16 -1.189 0.089 5.089 1.00 0.00 C ATOM 797 NZ LYS B 16 -1.373 -0.758 6.296 1.00 0.00 N ATOM 0 H LYS B 16 -2.771 4.401 2.890 1.00 0.00 H new ATOM 0 HA LYS B 16 0.003 4.745 3.470 1.00 0.00 H new ATOM 0 HB2 LYS B 16 -0.099 2.442 4.313 1.00 0.00 H new ATOM 0 HB3 LYS B 16 -1.294 3.514 5.015 1.00 0.00 H new ATOM 0 HG2 LYS B 16 -3.030 2.546 3.512 1.00 0.00 H new ATOM 0 HG3 LYS B 16 -1.830 1.457 2.843 1.00 0.00 H new ATOM 0 HD2 LYS B 16 -2.557 1.583 5.797 1.00 0.00 H new ATOM 0 HD3 LYS B 16 -3.261 0.447 4.663 1.00 0.00 H new ATOM 0 HE2 LYS B 16 -1.070 -0.548 4.212 1.00 0.00 H new ATOM 0 HE3 LYS B 16 -0.272 0.670 5.188 1.00 0.00 H new ATOM 0 HZ1 LYS B 16 -0.552 -1.386 6.408 1.00 0.00 H new ATOM 0 HZ2 LYS B 16 -1.462 -0.151 7.136 1.00 0.00 H new ATOM 0 HZ3 LYS B 16 -2.235 -1.331 6.190 1.00 0.00 H new ATOM 811 N ASN B 17 -0.881 3.043 0.814 1.00 0.00 N ATOM 812 CA ASN B 17 -0.364 2.589 -0.479 1.00 0.00 C ATOM 813 C ASN B 17 0.550 3.647 -1.062 1.00 0.00 C ATOM 814 O ASN B 17 1.608 3.339 -1.602 1.00 0.00 O ATOM 815 CB ASN B 17 -1.506 2.307 -1.455 1.00 0.00 C ATOM 816 CG ASN B 17 -1.811 0.831 -1.585 1.00 0.00 C ATOM 817 OD1 ASN B 17 -0.915 -0.007 -1.545 1.00 0.00 O ATOM 818 ND2 ASN B 17 -3.081 0.500 -1.738 1.00 0.00 N ATOM 0 H ASN B 17 -1.899 3.057 0.881 1.00 0.00 H new ATOM 0 HA ASN B 17 0.193 1.665 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN B 17 -2.402 2.831 -1.121 1.00 0.00 H new ATOM 0 HB3 ASN B 17 -1.248 2.708 -2.435 1.00 0.00 H new ATOM 0 HD21 ASN B 17 -3.345 -0.481 -1.828 1.00 0.00 H new ATOM 0 HD22 ASN B 17 -3.797 1.226 -1.766 1.00 0.00 H new ATOM 825 N TYR B 18 0.141 4.904 -0.935 1.00 0.00 N ATOM 826 CA TYR B 18 0.977 6.012 -1.370 1.00 0.00 C ATOM 827 C TYR B 18 2.267 6.043 -0.550 1.00 0.00 C ATOM 828 O TYR B 18 3.365 6.134 -1.100 1.00 0.00 O ATOM 829 CB TYR B 18 0.220 7.338 -1.227 1.00 0.00 C ATOM 830 CG TYR B 18 0.992 8.545 -1.716 1.00 0.00 C ATOM 831 CD1 TYR B 18 1.772 9.296 -0.844 1.00 0.00 C ATOM 832 CD2 TYR B 18 0.937 8.935 -3.049 1.00 0.00 C ATOM 833 CE1 TYR B 18 2.475 10.399 -1.286 1.00 0.00 C ATOM 834 CE2 TYR B 18 1.639 10.038 -3.497 1.00 0.00 C ATOM 835 CZ TYR B 18 2.406 10.766 -2.612 1.00 0.00 C ATOM 836 OH TYR B 18 3.104 11.870 -3.051 1.00 0.00 O ATOM 0 H TYR B 18 -0.757 5.178 -0.537 1.00 0.00 H new ATOM 0 HA TYR B 18 1.231 5.873 -2.421 1.00 0.00 H new ATOM 0 HB2 TYR B 18 -0.717 7.271 -1.780 1.00 0.00 H new ATOM 0 HB3 TYR B 18 -0.038 7.486 -0.178 1.00 0.00 H new ATOM 0 HD1 TYR B 18 1.829 9.012 0.196 1.00 0.00 H new ATOM 0 HD2 TYR B 18 0.337 8.368 -3.745 1.00 0.00 H new ATOM 0 HE1 TYR B 18 3.076 10.972 -0.595 1.00 0.00 H new ATOM 0 HE2 TYR B 18 1.587 10.329 -4.536 1.00 0.00 H new ATOM 0 HH TYR B 18 2.951 11.993 -4.011 1.00 0.00 H new ATOM 846 N HIS B 19 2.117 5.936 0.767 1.00 0.00 N ATOM 847 CA HIS B 19 3.250 5.978 1.687 1.00 0.00 C ATOM 848 C HIS B 19 4.239 4.846 1.409 1.00 0.00 C ATOM 849 O HIS B 19 5.437 5.083 1.278 1.00 0.00 O ATOM 850 CB HIS B 19 2.752 5.903 3.137 1.00 0.00 C ATOM 851 CG HIS B 19 3.848 5.946 4.160 1.00 0.00 C ATOM 852 ND1 HIS B 19 4.054 4.946 5.086 1.00 0.00 N ATOM 853 CD2 HIS B 19 4.796 6.881 4.404 1.00 0.00 C ATOM 854 CE1 HIS B 19 5.079 5.265 5.854 1.00 0.00 C ATOM 855 NE2 HIS B 19 5.547 6.432 5.460 1.00 0.00 N ATOM 0 H HIS B 19 1.213 5.818 1.225 1.00 0.00 H new ATOM 0 HA HIS B 19 3.773 6.922 1.534 1.00 0.00 H new ATOM 0 HB2 HIS B 19 2.067 6.731 3.318 1.00 0.00 H new ATOM 0 HB3 HIS B 19 2.182 4.983 3.268 1.00 0.00 H new ATOM 0 HD2 HIS B 19 4.935 7.808 3.867 1.00 0.00 H new ATOM 0 HE1 HIS B 19 5.468 4.670 6.667 1.00 0.00 H new ATOM 0 HE2 HIS B 19 6.340 6.922 5.874 1.00 0.00 H new ATOM 864 N LEU B 20 3.730 3.622 1.328 1.00 0.00 N ATOM 865 CA LEU B 20 4.563 2.449 1.074 1.00 0.00 C ATOM 866 C LEU B 20 5.263 2.580 -0.259 1.00 0.00 C ATOM 867 O LEU B 20 6.479 2.463 -0.348 1.00 0.00 O ATOM 868 CB LEU B 20 3.719 1.174 1.042 1.00 0.00 C ATOM 869 CG LEU B 20 2.815 0.946 2.237 1.00 0.00 C ATOM 870 CD1 LEU B 20 2.203 -0.437 2.201 1.00 0.00 C ATOM 871 CD2 LEU B 20 3.555 1.177 3.547 1.00 0.00 C ATOM 0 H LEU B 20 2.737 3.414 1.435 1.00 0.00 H new ATOM 0 HA LEU B 20 5.293 2.387 1.881 1.00 0.00 H new ATOM 0 HB2 LEU B 20 3.102 1.192 0.143 1.00 0.00 H new ATOM 0 HB3 LEU B 20 4.390 0.320 0.951 1.00 0.00 H new ATOM 0 HG LEU B 20 2.007 1.675 2.179 1.00 0.00 H new ATOM 0 HD11 LEU B 20 1.559 -0.573 3.070 1.00 0.00 H new ATOM 0 HD12 LEU B 20 1.613 -0.550 1.291 1.00 0.00 H new ATOM 0 HD13 LEU B 20 2.995 -1.186 2.215 1.00 0.00 H new ATOM 0 HD21 LEU B 20 2.877 1.005 4.383 1.00 0.00 H new ATOM 0 HD22 LEU B 20 4.397 0.489 3.615 1.00 0.00 H new ATOM 0 HD23 LEU B 20 3.921 2.203 3.582 1.00 0.00 H new ATOM 883 N GLU B 21 4.469 2.825 -1.288 1.00 0.00 N ATOM 884 CA GLU B 21 4.972 2.895 -2.655 1.00 0.00 C ATOM 885 C GLU B 21 6.097 3.919 -2.779 1.00 0.00 C ATOM 886 O GLU B 21 7.148 3.634 -3.361 1.00 0.00 O ATOM 887 CB GLU B 21 3.843 3.253 -3.617 1.00 0.00 C ATOM 888 CG GLU B 21 4.007 2.647 -4.997 1.00 0.00 C ATOM 889 CD GLU B 21 2.924 3.094 -5.954 1.00 0.00 C ATOM 890 OE1 GLU B 21 1.830 2.492 -5.932 1.00 0.00 O ATOM 891 OE2 GLU B 21 3.167 4.045 -6.725 1.00 0.00 O ATOM 0 H GLU B 21 3.464 2.980 -1.204 1.00 0.00 H new ATOM 0 HA GLU B 21 5.370 1.914 -2.913 1.00 0.00 H new ATOM 0 HB2 GLU B 21 2.896 2.919 -3.193 1.00 0.00 H new ATOM 0 HB3 GLU B 21 3.786 4.338 -3.710 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.981 2.924 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU B 21 3.993 1.560 -4.918 1.00 0.00 H new ATOM 898 N ASN B 22 5.876 5.104 -2.222 1.00 0.00 N ATOM 899 CA ASN B 22 6.891 6.150 -2.233 1.00 0.00 C ATOM 900 C ASN B 22 8.072 5.772 -1.350 1.00 0.00 C ATOM 901 O ASN B 22 9.216 6.120 -1.649 1.00 0.00 O ATOM 902 CB ASN B 22 6.307 7.492 -1.783 1.00 0.00 C ATOM 903 CG ASN B 22 5.551 8.198 -2.894 1.00 0.00 C ATOM 904 OD1 ASN B 22 4.356 7.983 -3.089 1.00 0.00 O ATOM 905 ND2 ASN B 22 6.245 9.053 -3.630 1.00 0.00 N ATOM 0 H ASN B 22 5.005 5.364 -1.758 1.00 0.00 H new ATOM 0 HA ASN B 22 7.243 6.254 -3.259 1.00 0.00 H new ATOM 0 HB2 ASN B 22 5.637 7.328 -0.939 1.00 0.00 H new ATOM 0 HB3 ASN B 22 7.113 8.136 -1.430 1.00 0.00 H new ATOM 0 HD21 ASN B 22 5.789 9.560 -4.389 1.00 0.00 H new ATOM 0 HD22 ASN B 22 7.235 9.205 -3.438 1.00 0.00 H new ATOM 912 N GLU B 23 7.802 5.054 -0.266 1.00 0.00 N ATOM 913 CA GLU B 23 8.869 4.601 0.615 1.00 0.00 C ATOM 914 C GLU B 23 9.753 3.585 -0.106 1.00 0.00 C ATOM 915 O GLU B 23 10.981 3.628 0.010 1.00 0.00 O ATOM 916 CB GLU B 23 8.295 3.994 1.900 1.00 0.00 C ATOM 917 CG GLU B 23 9.345 3.725 2.968 1.00 0.00 C ATOM 918 CD GLU B 23 10.040 4.991 3.438 1.00 0.00 C ATOM 919 OE1 GLU B 23 9.673 5.504 4.516 1.00 0.00 O ATOM 920 OE2 GLU B 23 10.950 5.467 2.728 1.00 0.00 O ATOM 0 H GLU B 23 6.864 4.776 0.021 1.00 0.00 H new ATOM 0 HA GLU B 23 9.477 5.463 0.889 1.00 0.00 H new ATOM 0 HB2 GLU B 23 7.541 4.669 2.305 1.00 0.00 H new ATOM 0 HB3 GLU B 23 7.789 3.060 1.656 1.00 0.00 H new ATOM 0 HG2 GLU B 23 8.873 3.236 3.821 1.00 0.00 H new ATOM 0 HG3 GLU B 23 10.088 3.032 2.574 1.00 0.00 H new ATOM 927 N VAL B 24 9.121 2.684 -0.859 1.00 0.00 N ATOM 928 CA VAL B 24 9.845 1.698 -1.656 1.00 0.00 C ATOM 929 C VAL B 24 10.758 2.396 -2.657 1.00 0.00 C ATOM 930 O VAL B 24 11.939 2.076 -2.760 1.00 0.00 O ATOM 931 CB VAL B 24 8.893 0.763 -2.441 1.00 0.00 C ATOM 932 CG1 VAL B 24 9.686 -0.256 -3.244 1.00 0.00 C ATOM 933 CG2 VAL B 24 7.925 0.053 -1.514 1.00 0.00 C ATOM 0 H VAL B 24 8.106 2.618 -0.932 1.00 0.00 H new ATOM 0 HA VAL B 24 10.425 1.098 -0.955 1.00 0.00 H new ATOM 0 HB VAL B 24 8.315 1.383 -3.126 1.00 0.00 H new ATOM 0 HG11 VAL B 24 8.999 -0.904 -3.789 1.00 0.00 H new ATOM 0 HG12 VAL B 24 10.334 0.262 -3.951 1.00 0.00 H new ATOM 0 HG13 VAL B 24 10.294 -0.858 -2.569 1.00 0.00 H new ATOM 0 HG21 VAL B 24 7.271 -0.595 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL B 24 8.483 -0.547 -0.795 1.00 0.00 H new ATOM 0 HG23 VAL B 24 7.324 0.790 -0.982 1.00 0.00 H new ATOM 943 N ALA B 25 10.198 3.367 -3.375 1.00 0.00 N ATOM 944 CA ALA B 25 10.939 4.104 -4.394 1.00 0.00 C ATOM 945 C ALA B 25 12.164 4.787 -3.793 1.00 0.00 C ATOM 946 O ALA B 25 13.230 4.823 -4.405 1.00 0.00 O ATOM 947 CB ALA B 25 10.033 5.131 -5.065 1.00 0.00 C ATOM 0 H ALA B 25 9.228 3.662 -3.268 1.00 0.00 H new ATOM 0 HA ALA B 25 11.284 3.394 -5.146 1.00 0.00 H new ATOM 0 HB1 ALA B 25 10.598 5.674 -5.823 1.00 0.00 H new ATOM 0 HB2 ALA B 25 9.191 4.622 -5.535 1.00 0.00 H new ATOM 0 HB3 ALA B 25 9.662 5.832 -4.318 1.00 0.00 H new ATOM 953 N ARG B 26 12.004 5.313 -2.586 1.00 0.00 N ATOM 954 CA ARG B 26 13.097 5.966 -1.880 1.00 0.00 C ATOM 955 C ARG B 26 14.195 4.961 -1.546 1.00 0.00 C ATOM 956 O ARG B 26 15.366 5.173 -1.868 1.00 0.00 O ATOM 957 CB ARG B 26 12.578 6.620 -0.599 1.00 0.00 C ATOM 958 CG ARG B 26 13.635 7.402 0.166 1.00 0.00 C ATOM 959 CD ARG B 26 13.057 8.011 1.430 1.00 0.00 C ATOM 960 NE ARG B 26 11.922 8.883 1.147 1.00 0.00 N ATOM 961 CZ ARG B 26 11.003 9.228 2.046 1.00 0.00 C ATOM 962 NH1 ARG B 26 11.085 8.777 3.293 1.00 0.00 N ATOM 963 NH2 ARG B 26 10.002 10.024 1.696 1.00 0.00 N ATOM 0 H ARG B 26 11.122 5.300 -2.073 1.00 0.00 H new ATOM 0 HA ARG B 26 13.517 6.736 -2.528 1.00 0.00 H new ATOM 0 HB2 ARG B 26 11.757 7.290 -0.852 1.00 0.00 H new ATOM 0 HB3 ARG B 26 12.170 5.847 0.052 1.00 0.00 H new ATOM 0 HG2 ARG B 26 14.464 6.743 0.423 1.00 0.00 H new ATOM 0 HG3 ARG B 26 14.039 8.190 -0.469 1.00 0.00 H new ATOM 0 HD2 ARG B 26 12.743 7.215 2.105 1.00 0.00 H new ATOM 0 HD3 ARG B 26 13.831 8.579 1.945 1.00 0.00 H new ATOM 0 HE ARG B 26 11.827 9.251 0.201 1.00 0.00 H new ATOM 0 HH11 ARG B 26 11.854 8.164 3.564 1.00 0.00 H new ATOM 0 HH12 ARG B 26 10.379 9.044 3.979 1.00 0.00 H new ATOM 0 HH21 ARG B 26 9.937 10.371 0.739 1.00 0.00 H new ATOM 0 HH22 ARG B 26 9.297 10.289 2.384 1.00 0.00 H new ATOM 977 N LEU B 27 13.803 3.861 -0.913 1.00 0.00 N ATOM 978 CA LEU B 27 14.743 2.812 -0.530 1.00 0.00 C ATOM 979 C LEU B 27 15.416 2.205 -1.753 1.00 0.00 C ATOM 980 O LEU B 27 16.602 1.877 -1.723 1.00 0.00 O ATOM 981 CB LEU B 27 14.026 1.706 0.250 1.00 0.00 C ATOM 982 CG LEU B 27 13.980 1.860 1.778 1.00 0.00 C ATOM 983 CD1 LEU B 27 13.638 3.281 2.191 1.00 0.00 C ATOM 984 CD2 LEU B 27 12.969 0.894 2.371 1.00 0.00 C ATOM 0 H LEU B 27 12.835 3.671 -0.653 1.00 0.00 H new ATOM 0 HA LEU B 27 15.504 3.269 0.102 1.00 0.00 H new ATOM 0 HB2 LEU B 27 13.002 1.640 -0.117 1.00 0.00 H new ATOM 0 HB3 LEU B 27 14.510 0.757 0.018 1.00 0.00 H new ATOM 0 HG LEU B 27 14.974 1.630 2.162 1.00 0.00 H new ATOM 0 HD11 LEU B 27 13.615 3.348 3.279 1.00 0.00 H new ATOM 0 HD12 LEU B 27 14.392 3.965 1.801 1.00 0.00 H new ATOM 0 HD13 LEU B 27 12.661 3.551 1.790 1.00 0.00 H new ATOM 0 HD21 LEU B 27 12.945 1.012 3.454 1.00 0.00 H new ATOM 0 HD22 LEU B 27 11.981 1.104 1.961 1.00 0.00 H new ATOM 0 HD23 LEU B 27 13.254 -0.129 2.124 1.00 0.00 H new ATOM 996 N LYS B 28 14.652 2.067 -2.830 1.00 0.00 N ATOM 997 CA LYS B 28 15.152 1.468 -4.058 1.00 0.00 C ATOM 998 C LYS B 28 16.288 2.299 -4.646 1.00 0.00 C ATOM 999 O LYS B 28 17.165 1.769 -5.323 1.00 0.00 O ATOM 1000 CB LYS B 28 14.018 1.323 -5.079 1.00 0.00 C ATOM 1001 CG LYS B 28 14.395 0.559 -6.346 1.00 0.00 C ATOM 1002 CD LYS B 28 14.620 -0.929 -6.084 1.00 0.00 C ATOM 1003 CE LYS B 28 16.076 -1.255 -5.771 1.00 0.00 C ATOM 1004 NZ LYS B 28 16.986 -0.882 -6.885 1.00 0.00 N ATOM 0 H LYS B 28 13.677 2.365 -2.876 1.00 0.00 H new ATOM 0 HA LYS B 28 15.541 0.478 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS B 28 13.180 0.816 -4.601 1.00 0.00 H new ATOM 0 HB3 LYS B 28 13.671 2.317 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS B 28 13.605 0.679 -7.088 1.00 0.00 H new ATOM 0 HG3 LYS B 28 15.301 0.991 -6.772 1.00 0.00 H new ATOM 0 HD2 LYS B 28 13.993 -1.246 -5.251 1.00 0.00 H new ATOM 0 HD3 LYS B 28 14.303 -1.500 -6.957 1.00 0.00 H new ATOM 0 HE2 LYS B 28 16.378 -0.729 -4.866 1.00 0.00 H new ATOM 0 HE3 LYS B 28 16.172 -2.321 -5.567 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 17.873 -1.419 -6.804 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 16.530 -1.102 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 17.193 0.136 -6.838 1.00 0.00 H new ATOM 1018 N LYS B 29 16.273 3.601 -4.380 1.00 0.00 N ATOM 1019 CA LYS B 29 17.338 4.484 -4.840 1.00 0.00 C ATOM 1020 C LYS B 29 18.608 4.252 -4.032 1.00 0.00 C ATOM 1021 O LYS B 29 19.715 4.339 -4.558 1.00 0.00 O ATOM 1022 CB LYS B 29 16.917 5.949 -4.729 1.00 0.00 C ATOM 1023 CG LYS B 29 15.756 6.329 -5.631 1.00 0.00 C ATOM 1024 CD LYS B 29 16.101 6.147 -7.100 1.00 0.00 C ATOM 1025 CE LYS B 29 15.001 6.688 -7.998 1.00 0.00 C ATOM 1026 NZ LYS B 29 14.810 8.152 -7.819 1.00 0.00 N ATOM 0 H LYS B 29 15.537 4.067 -3.850 1.00 0.00 H new ATOM 0 HA LYS B 29 17.534 4.255 -5.888 1.00 0.00 H new ATOM 0 HB2 LYS B 29 16.645 6.161 -3.695 1.00 0.00 H new ATOM 0 HB3 LYS B 29 17.772 6.581 -4.969 1.00 0.00 H new ATOM 0 HG2 LYS B 29 14.888 5.718 -5.383 1.00 0.00 H new ATOM 0 HG3 LYS B 29 15.478 7.367 -5.449 1.00 0.00 H new ATOM 0 HD2 LYS B 29 17.038 6.658 -7.321 1.00 0.00 H new ATOM 0 HD3 LYS B 29 16.257 5.089 -7.310 1.00 0.00 H new ATOM 0 HE2 LYS B 29 15.246 6.478 -9.039 1.00 0.00 H new ATOM 0 HE3 LYS B 29 14.067 6.170 -7.780 1.00 0.00 H new ATOM 0 HZ1 LYS B 29 14.305 8.539 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS B 29 14.254 8.327 -6.958 1.00 0.00 H new ATOM 0 HZ3 LYS B 29 15.737 8.615 -7.733 1.00 0.00 H new ATOM 1040 N LEU B 30 18.439 3.949 -2.753 1.00 0.00 N ATOM 1041 CA LEU B 30 19.571 3.665 -1.876 1.00 0.00 C ATOM 1042 C LEU B 30 20.128 2.278 -2.170 1.00 0.00 C ATOM 1043 O LEU B 30 21.323 2.030 -2.025 1.00 0.00 O ATOM 1044 CB LEU B 30 19.171 3.786 -0.398 1.00 0.00 C ATOM 1045 CG LEU B 30 19.119 5.218 0.155 1.00 0.00 C ATOM 1046 CD1 LEU B 30 18.025 6.034 -0.515 1.00 0.00 C ATOM 1047 CD2 LEU B 30 18.917 5.203 1.661 1.00 0.00 C ATOM 0 H LEU B 30 17.528 3.893 -2.297 1.00 0.00 H new ATOM 0 HA LEU B 30 20.348 4.404 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU B 30 18.191 3.328 -0.266 1.00 0.00 H new ATOM 0 HB3 LEU B 30 19.876 3.209 0.200 1.00 0.00 H new ATOM 0 HG LEU B 30 20.075 5.692 -0.067 1.00 0.00 H new ATOM 0 HD11 LEU B 30 18.017 7.042 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU B 30 18.214 6.085 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU B 30 17.059 5.561 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU B 30 18.883 6.227 2.034 1.00 0.00 H new ATOM 0 HD22 LEU B 30 17.980 4.699 1.897 1.00 0.00 H new ATOM 0 HD23 LEU B 30 19.743 4.672 2.134 1.00 0.00 H new ATOM 1059 N VAL B 31 19.248 1.381 -2.590 1.00 0.00 N ATOM 1060 CA VAL B 31 19.657 0.068 -3.073 1.00 0.00 C ATOM 1061 C VAL B 31 19.741 0.118 -4.599 1.00 0.00 C ATOM 1062 O VAL B 31 19.470 -0.858 -5.304 1.00 0.00 O ATOM 1063 CB VAL B 31 18.668 -1.041 -2.633 1.00 0.00 C ATOM 1064 CG1 VAL B 31 19.259 -2.423 -2.861 1.00 0.00 C ATOM 1065 CG2 VAL B 31 18.274 -0.869 -1.176 1.00 0.00 C ATOM 0 H VAL B 31 18.240 1.539 -2.606 1.00 0.00 H new ATOM 0 HA VAL B 31 20.628 -0.177 -2.643 1.00 0.00 H new ATOM 0 HB VAL B 31 17.772 -0.947 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL B 31 18.544 -3.182 -2.543 1.00 0.00 H new ATOM 0 HG12 VAL B 31 19.480 -2.554 -3.920 1.00 0.00 H new ATOM 0 HG13 VAL B 31 20.177 -2.526 -2.283 1.00 0.00 H new ATOM 0 HG21 VAL B 31 17.579 -1.659 -0.891 1.00 0.00 H new ATOM 0 HG22 VAL B 31 19.164 -0.925 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL B 31 17.795 0.101 -1.041 1.00 0.00 H new ATOM 1075 N GLY B 32 20.100 1.286 -5.103 1.00 0.00 N ATOM 1076 CA GLY B 32 20.136 1.504 -6.530 1.00 0.00 C ATOM 1077 C GLY B 32 21.365 2.270 -6.961 1.00 0.00 C ATOM 1078 O GLY B 32 22.101 1.833 -7.846 1.00 0.00 O ATOM 0 H GLY B 32 20.370 2.094 -4.542 1.00 0.00 H new ATOM 0 HA2 GLY B 32 20.111 0.543 -7.043 1.00 0.00 H new ATOM 0 HA3 GLY B 32 19.244 2.051 -6.835 1.00 0.00 H new ATOM 1082 N GLU B 33 21.587 3.413 -6.330 1.00 0.00 N ATOM 1083 CA GLU B 33 22.735 4.249 -6.635 1.00 0.00 C ATOM 1084 C GLU B 33 23.744 4.195 -5.494 1.00 0.00 C ATOM 1085 O GLU B 33 24.666 3.356 -5.552 1.00 0.00 O ATOM 1086 CB GLU B 33 22.288 5.692 -6.874 1.00 0.00 C ATOM 1087 CG GLU B 33 21.334 5.853 -8.044 1.00 0.00 C ATOM 1088 CD GLU B 33 20.846 7.280 -8.205 1.00 0.00 C ATOM 1089 OE1 GLU B 33 19.667 7.542 -7.889 1.00 0.00 O ATOM 1090 OE2 GLU B 33 21.644 8.133 -8.644 1.00 0.00 O ATOM 1091 OXT GLU B 33 23.602 4.981 -4.536 1.00 0.00 O ATOM 0 H GLU B 33 20.981 3.784 -5.598 1.00 0.00 H new ATOM 0 HA GLU B 33 23.210 3.873 -7.541 1.00 0.00 H new ATOM 0 HB2 GLU B 33 21.807 6.068 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU B 33 23.168 6.311 -7.047 1.00 0.00 H new ATOM 0 HG2 GLU B 33 21.832 5.537 -8.961 1.00 0.00 H new ATOM 0 HG3 GLU B 33 20.478 5.193 -7.903 1.00 0.00 H new TER 1098 GLU B 33