USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 561 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 12 LYS NZ :NH3+ 162:sc= -0.115 (180deg=-0.477) USER MOD Set 1.2: A 16 TYR OH : rot 30:sc= -0.111 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -165:sc= -5.67! (180deg=-2.91!) USER MOD Set 2.2: B 8 MET CE :methyl -158:sc= -5.72! (180deg=-6.71!) USER MOD Set 2.3: B 12 LYS NZ :NH3+ 158:sc= -1.5 (180deg=-0.505) USER MOD Single : A 1 MET CE :methyl 157:sc= -0.0835 (180deg=-0.465) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.149) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ -167:sc= -1.09 (180deg=-1.62) USER MOD Single : A 8 MET CE :methyl -175:sc= -0.016 (180deg=-0.0372) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0.00611 X(o=0.0061,f=0) USER MOD Single : A 17 HIS :FLIP no HE2:sc= -0.196 F(o=-1,f=-0.2) USER MOD Single : A 20 ASN : amide:sc= -0.221 K(o=-0.22,f=-1.9!) USER MOD Single : A 26 LYS NZ :NH3+ 158:sc= -2.75! (180deg=-3.07!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -159:sc=-0.00638 (180deg=-0.808) USER MOD Single : B 1 MET N :NH3+ -169:sc=-0.00361 (180deg=-0.147) USER MOD Single : B 5 LYS NZ :NH3+ 139:sc= 1.42 (180deg=0.0767) USER MOD Single : B 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ -157:sc= -0.312 (180deg=-1.33!) USER MOD Single : B 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 10 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 ASN :FLIP amide:sc= -0.051 F(o=-0.86,f=-0.051) USER MOD Single : B 16 TYR OH : rot -30:sc= -2 USER MOD Single : B 17 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.14) USER MOD Single : B 20 ASN : amide:sc= -2.6! C(o=-2.6!,f=-3.3!) USER MOD Single : B 26 LYS NZ :NH3+ -107:sc= 0.0164 (180deg=0) USER MOD Single : B 27 LYS NZ :NH3+ -157:sc= -0.831 (180deg=-1.67) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.320 -11.490 17.092 1.00 0.00 N ATOM 2 CA MET A 1 9.065 -11.412 15.847 1.00 0.00 C ATOM 3 C MET A 1 8.484 -12.416 14.848 1.00 0.00 C ATOM 4 O MET A 1 8.376 -12.072 13.661 1.00 0.00 O ATOM 5 CB MET A 1 10.542 -11.728 16.089 1.00 0.00 C ATOM 6 CG MET A 1 11.439 -10.878 15.188 1.00 0.00 C ATOM 7 SD MET A 1 12.944 -11.802 14.759 1.00 0.00 S ATOM 8 CE MET A 1 12.245 -13.027 13.613 1.00 0.00 C ATOM 0 H1 MET A 1 8.570 -10.682 17.697 1.00 0.00 H new ATOM 0 H2 MET A 1 7.300 -11.468 16.888 1.00 0.00 H new ATOM 0 H3 MET A 1 8.556 -12.376 17.583 1.00 0.00 H new ATOM 0 HA MET A 1 8.984 -10.401 15.447 1.00 0.00 H new ATOM 0 HB2 MET A 1 10.791 -11.543 17.134 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.727 -12.785 15.899 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.901 -10.602 14.281 1.00 0.00 H new ATOM 0 HG3 MET A 1 11.704 -9.951 15.696 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.030 -13.399 12.954 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.824 -13.857 14.180 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.461 -12.561 13.016 1.00 0.00 H new ATOM 18 N ASP A 2 8.130 -13.617 15.338 1.00 0.00 N ATOM 19 CA ASP A 2 7.568 -14.658 14.495 1.00 0.00 C ATOM 20 C ASP A 2 6.378 -14.092 13.717 1.00 0.00 C ATOM 21 O ASP A 2 6.185 -14.492 12.560 1.00 0.00 O ATOM 22 CB ASP A 2 7.066 -15.836 15.333 1.00 0.00 C ATOM 23 CG ASP A 2 7.870 -16.112 16.606 1.00 0.00 C ATOM 24 OD1 ASP A 2 9.093 -16.473 16.411 1.00 0.00 O ATOM 25 OD2 ASP A 2 7.354 -15.988 17.727 1.00 0.00 O ATOM 0 H ASP A 2 8.228 -13.880 16.319 1.00 0.00 H new ATOM 0 HA ASP A 2 8.351 -15.003 13.820 1.00 0.00 H new ATOM 0 HB2 ASP A 2 6.028 -15.650 15.610 1.00 0.00 H new ATOM 0 HB3 ASP A 2 7.075 -16.733 14.714 1.00 0.00 H new ATOM 30 N ALA A 3 5.619 -13.184 14.356 1.00 0.00 N ATOM 31 CA ALA A 3 4.461 -12.570 13.728 1.00 0.00 C ATOM 32 C ALA A 3 4.895 -11.293 13.007 1.00 0.00 C ATOM 33 O ALA A 3 4.113 -10.782 12.192 1.00 0.00 O ATOM 34 CB ALA A 3 3.461 -12.136 14.803 1.00 0.00 C ATOM 0 H ALA A 3 5.797 -12.866 15.309 1.00 0.00 H new ATOM 0 HA ALA A 3 4.018 -13.291 13.041 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.594 -11.676 14.329 1.00 0.00 H new ATOM 0 HB2 ALA A 3 3.142 -13.007 15.376 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.934 -11.416 15.471 1.00 0.00 H new ATOM 40 N ILE A 4 6.112 -10.811 13.315 1.00 0.00 N ATOM 41 CA ILE A 4 6.642 -9.605 12.699 1.00 0.00 C ATOM 42 C ILE A 4 7.114 -9.928 11.281 1.00 0.00 C ATOM 43 O ILE A 4 6.794 -9.159 10.363 1.00 0.00 O ATOM 44 CB ILE A 4 7.726 -8.985 13.583 1.00 0.00 C ATOM 45 CG1 ILE A 4 7.148 -8.541 14.929 1.00 0.00 C ATOM 46 CG2 ILE A 4 8.435 -7.840 12.857 1.00 0.00 C ATOM 47 CD1 ILE A 4 7.606 -7.123 15.281 1.00 0.00 C ATOM 0 H ILE A 4 6.740 -11.247 13.990 1.00 0.00 H new ATOM 0 HA ILE A 4 5.863 -8.847 12.611 1.00 0.00 H new ATOM 0 HB ILE A 4 8.476 -9.748 13.791 1.00 0.00 H new ATOM 0 HG12 ILE A 4 6.059 -8.577 14.891 1.00 0.00 H new ATOM 0 HG13 ILE A 4 7.462 -9.233 15.710 1.00 0.00 H new ATOM 0 HG21 ILE A 4 9.201 -7.416 13.507 1.00 0.00 H new ATOM 0 HG22 ILE A 4 8.900 -8.219 11.947 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.710 -7.068 12.600 1.00 0.00 H new ATOM 0 HD11 ILE A 4 7.182 -6.832 16.242 1.00 0.00 H new ATOM 0 HD12 ILE A 4 8.694 -7.097 15.342 1.00 0.00 H new ATOM 0 HD13 ILE A 4 7.269 -6.430 14.510 1.00 0.00 H new ATOM 59 N LYS A 5 7.855 -11.040 11.132 1.00 0.00 N ATOM 60 CA LYS A 5 8.366 -11.457 9.836 1.00 0.00 C ATOM 61 C LYS A 5 7.204 -11.571 8.847 1.00 0.00 C ATOM 62 O LYS A 5 7.408 -11.271 7.662 1.00 0.00 O ATOM 63 CB LYS A 5 9.186 -12.743 9.972 1.00 0.00 C ATOM 64 CG LYS A 5 8.748 -13.545 11.199 1.00 0.00 C ATOM 65 CD LYS A 5 8.923 -15.046 10.962 1.00 0.00 C ATOM 66 CE LYS A 5 10.290 -15.524 11.453 1.00 0.00 C ATOM 67 NZ LYS A 5 10.718 -16.720 10.708 1.00 0.00 N ATOM 0 H LYS A 5 8.108 -11.660 11.901 1.00 0.00 H new ATOM 0 HA LYS A 5 9.052 -10.709 9.438 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.068 -13.351 9.075 1.00 0.00 H new ATOM 0 HB3 LYS A 5 10.245 -12.497 10.053 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.333 -13.239 12.066 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.704 -13.328 11.426 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.135 -15.593 11.479 1.00 0.00 H new ATOM 0 HD3 LYS A 5 8.818 -15.264 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.025 -14.729 11.329 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.241 -15.750 12.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.648 -17.031 11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.024 -17.482 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.784 -16.493 9.695 1.00 0.00 H new ATOM 81 N LYS A 6 6.028 -11.994 9.345 1.00 0.00 N ATOM 82 CA LYS A 6 4.848 -12.145 8.511 1.00 0.00 C ATOM 83 C LYS A 6 4.107 -10.808 8.437 1.00 0.00 C ATOM 84 O LYS A 6 3.502 -10.526 7.393 1.00 0.00 O ATOM 85 CB LYS A 6 3.981 -13.302 9.012 1.00 0.00 C ATOM 86 CG LYS A 6 4.834 -14.361 9.714 1.00 0.00 C ATOM 87 CD LYS A 6 4.220 -15.753 9.554 1.00 0.00 C ATOM 88 CE LYS A 6 4.725 -16.432 8.279 1.00 0.00 C ATOM 89 NZ LYS A 6 4.209 -15.740 7.087 1.00 0.00 N ATOM 0 H LYS A 6 5.881 -12.235 10.325 1.00 0.00 H new ATOM 0 HA LYS A 6 5.133 -12.409 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.225 -12.924 9.700 1.00 0.00 H new ATOM 0 HB3 LYS A 6 3.451 -13.754 8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.842 -14.354 9.300 1.00 0.00 H new ATOM 0 HG3 LYS A 6 4.923 -14.118 10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.469 -16.366 10.420 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.133 -15.674 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.815 -16.428 8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 6 4.409 -17.475 8.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.372 -16.329 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 3.189 -15.570 7.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.701 -14.831 6.973 1.00 0.00 H new ATOM 103 N LYS A 7 4.167 -10.026 9.530 1.00 0.00 N ATOM 104 CA LYS A 7 3.506 -8.733 9.588 1.00 0.00 C ATOM 105 C LYS A 7 3.926 -7.895 8.379 1.00 0.00 C ATOM 106 O LYS A 7 3.041 -7.347 7.705 1.00 0.00 O ATOM 107 CB LYS A 7 3.777 -8.053 10.932 1.00 0.00 C ATOM 108 CG LYS A 7 3.091 -6.687 11.003 1.00 0.00 C ATOM 109 CD LYS A 7 1.654 -6.768 10.484 1.00 0.00 C ATOM 110 CE LYS A 7 0.753 -5.762 11.203 1.00 0.00 C ATOM 111 NZ LYS A 7 1.534 -4.594 11.643 1.00 0.00 N ATOM 0 H LYS A 7 4.670 -10.278 10.381 1.00 0.00 H new ATOM 0 HA LYS A 7 2.424 -8.855 9.531 1.00 0.00 H new ATOM 0 HB2 LYS A 7 3.418 -8.687 11.743 1.00 0.00 H new ATOM 0 HB3 LYS A 7 4.851 -7.932 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.090 -6.330 12.033 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.654 -5.962 10.415 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.639 -6.573 9.412 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.267 -7.777 10.630 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -0.048 -5.441 10.537 1.00 0.00 H new ATOM 0 HE3 LYS A 7 0.282 -6.237 12.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.983 -4.050 12.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.422 -4.915 12.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.750 -3.992 10.823 1.00 0.00 H new ATOM 125 N MET A 8 5.246 -7.813 8.132 1.00 0.00 N ATOM 126 CA MET A 8 5.774 -7.048 7.015 1.00 0.00 C ATOM 127 C MET A 8 5.395 -7.740 5.705 1.00 0.00 C ATOM 128 O MET A 8 5.306 -7.050 4.678 1.00 0.00 O ATOM 129 CB MET A 8 7.297 -6.944 7.114 1.00 0.00 C ATOM 130 CG MET A 8 7.934 -8.329 7.243 1.00 0.00 C ATOM 131 SD MET A 8 9.696 -8.165 7.660 1.00 0.00 S ATOM 132 CE MET A 8 10.345 -9.672 6.880 1.00 0.00 C ATOM 0 H MET A 8 5.959 -8.272 8.699 1.00 0.00 H new ATOM 0 HA MET A 8 5.350 -6.044 7.041 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.689 -6.440 6.230 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.568 -6.333 7.975 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.421 -8.904 8.014 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.822 -8.878 6.308 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.404 -9.776 7.115 1.00 0.00 H new ATOM 0 HE2 MET A 8 9.802 -10.539 7.257 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.218 -9.606 5.799 1.00 0.00 H new ATOM 142 N GLN A 9 5.181 -9.066 5.764 1.00 0.00 N ATOM 143 CA GLN A 9 4.815 -9.841 4.590 1.00 0.00 C ATOM 144 C GLN A 9 3.356 -9.554 4.230 1.00 0.00 C ATOM 145 O GLN A 9 2.998 -9.706 3.053 1.00 0.00 O ATOM 146 CB GLN A 9 5.040 -11.338 4.810 1.00 0.00 C ATOM 147 CG GLN A 9 6.513 -11.705 4.616 1.00 0.00 C ATOM 148 CD GLN A 9 6.661 -13.165 4.181 1.00 0.00 C ATOM 149 OE1 GLN A 9 6.332 -13.545 3.069 1.00 0.00 O ATOM 150 NE2 GLN A 9 7.174 -13.958 5.117 1.00 0.00 N ATOM 0 H GLN A 9 5.258 -9.615 6.620 1.00 0.00 H new ATOM 0 HA GLN A 9 5.457 -9.543 3.761 1.00 0.00 H new ATOM 0 HB2 GLN A 9 4.722 -11.613 5.816 1.00 0.00 H new ATOM 0 HB3 GLN A 9 4.425 -11.908 4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 9 6.959 -11.051 3.866 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.058 -11.542 5.546 1.00 0.00 H new ATOM 0 HE21 GLN A 9 7.428 -13.574 6.027 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.314 -14.950 4.925 1.00 0.00 H new ATOM 159 N MET A 10 2.556 -9.150 5.233 1.00 0.00 N ATOM 160 CA MET A 10 1.150 -8.845 5.023 1.00 0.00 C ATOM 161 C MET A 10 1.022 -7.445 4.422 1.00 0.00 C ATOM 162 O MET A 10 0.170 -7.257 3.540 1.00 0.00 O ATOM 163 CB MET A 10 0.389 -8.905 6.348 1.00 0.00 C ATOM 164 CG MET A 10 0.777 -10.150 7.148 1.00 0.00 C ATOM 165 SD MET A 10 -0.711 -11.095 7.589 1.00 0.00 S ATOM 166 CE MET A 10 0.011 -12.303 8.738 1.00 0.00 C ATOM 0 H MET A 10 2.871 -9.030 6.196 1.00 0.00 H new ATOM 0 HA MET A 10 0.724 -9.581 4.341 1.00 0.00 H new ATOM 0 HB2 MET A 10 0.602 -8.011 6.934 1.00 0.00 H new ATOM 0 HB3 MET A 10 -0.684 -8.912 6.155 1.00 0.00 H new ATOM 0 HG2 MET A 10 1.453 -10.773 6.562 1.00 0.00 H new ATOM 0 HG3 MET A 10 1.314 -9.859 8.051 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.771 -12.967 9.107 1.00 0.00 H new ATOM 0 HE2 MET A 10 0.770 -12.889 8.220 1.00 0.00 H new ATOM 0 HE3 MET A 10 0.467 -11.779 9.578 1.00 0.00 H new ATOM 176 N LEU A 11 1.854 -6.504 4.902 1.00 0.00 N ATOM 177 CA LEU A 11 1.832 -5.136 4.415 1.00 0.00 C ATOM 178 C LEU A 11 2.547 -5.068 3.064 1.00 0.00 C ATOM 179 O LEU A 11 2.222 -4.173 2.268 1.00 0.00 O ATOM 180 CB LEU A 11 2.411 -4.185 5.464 1.00 0.00 C ATOM 181 CG LEU A 11 1.702 -4.172 6.821 1.00 0.00 C ATOM 182 CD1 LEU A 11 2.603 -3.573 7.904 1.00 0.00 C ATOM 183 CD2 LEU A 11 0.358 -3.448 6.730 1.00 0.00 C ATOM 0 H LEU A 11 2.548 -6.678 5.629 1.00 0.00 H new ATOM 0 HA LEU A 11 0.806 -4.807 4.250 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.457 -4.447 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.394 -3.174 5.058 1.00 0.00 H new ATOM 0 HG LEU A 11 1.494 -5.203 7.108 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.076 -3.575 8.858 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.513 -4.167 7.990 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.863 -2.549 7.636 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -0.125 -3.453 7.707 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.520 -2.419 6.411 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -0.281 -3.956 6.007 1.00 0.00 H new ATOM 195 N LYS A 12 3.491 -5.998 2.834 1.00 0.00 N ATOM 196 CA LYS A 12 4.243 -6.043 1.591 1.00 0.00 C ATOM 197 C LYS A 12 3.360 -6.630 0.488 1.00 0.00 C ATOM 198 O LYS A 12 3.540 -6.246 -0.678 1.00 0.00 O ATOM 199 CB LYS A 12 5.561 -6.794 1.789 1.00 0.00 C ATOM 200 CG LYS A 12 6.064 -7.373 0.466 1.00 0.00 C ATOM 201 CD LYS A 12 5.469 -8.761 0.213 1.00 0.00 C ATOM 202 CE LYS A 12 6.558 -9.834 0.212 1.00 0.00 C ATOM 203 NZ LYS A 12 7.079 -10.038 -1.151 1.00 0.00 N ATOM 0 H LYS A 12 3.744 -6.726 3.502 1.00 0.00 H new ATOM 0 HA LYS A 12 4.521 -5.037 1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.310 -6.119 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 12 5.421 -7.597 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 12 5.797 -6.704 -0.352 1.00 0.00 H new ATOM 0 HG3 LYS A 12 7.152 -7.437 0.483 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.730 -8.989 0.981 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.947 -8.767 -0.744 1.00 0.00 H new ATOM 0 HE2 LYS A 12 7.369 -9.538 0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.155 -10.770 0.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.998 -10.523 -1.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.409 -10.618 -1.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 7.199 -9.117 -1.618 1.00 0.00 H new ATOM 217 N LEU A 13 2.438 -7.533 0.869 1.00 0.00 N ATOM 218 CA LEU A 13 1.538 -8.163 -0.081 1.00 0.00 C ATOM 219 C LEU A 13 0.434 -7.176 -0.464 1.00 0.00 C ATOM 220 O LEU A 13 0.084 -7.114 -1.651 1.00 0.00 O ATOM 221 CB LEU A 13 1.013 -9.488 0.477 1.00 0.00 C ATOM 222 CG LEU A 13 0.601 -10.535 -0.559 1.00 0.00 C ATOM 223 CD1 LEU A 13 -0.328 -11.583 0.059 1.00 0.00 C ATOM 224 CD2 LEU A 13 -0.022 -9.874 -1.790 1.00 0.00 C ATOM 0 H LEU A 13 2.306 -7.835 1.834 1.00 0.00 H new ATOM 0 HA LEU A 13 2.069 -8.418 -0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 13 1.783 -9.921 1.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.153 -9.277 1.113 1.00 0.00 H new ATOM 0 HG LEU A 13 1.499 -11.056 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -0.606 -12.315 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.185 -12.086 0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.226 -11.095 0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.306 -10.641 -2.510 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.907 -9.311 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.702 -9.198 -2.246 1.00 0.00 H new ATOM 236 N ASP A 14 -0.084 -6.436 0.533 1.00 0.00 N ATOM 237 CA ASP A 14 -1.138 -5.463 0.302 1.00 0.00 C ATOM 238 C ASP A 14 -0.589 -4.317 -0.550 1.00 0.00 C ATOM 239 O ASP A 14 -1.363 -3.734 -1.324 1.00 0.00 O ATOM 240 CB ASP A 14 -1.642 -4.874 1.621 1.00 0.00 C ATOM 241 CG ASP A 14 -3.163 -4.743 1.731 1.00 0.00 C ATOM 242 OD1 ASP A 14 -3.895 -5.743 1.681 1.00 0.00 O ATOM 243 OD2 ASP A 14 -3.598 -3.538 1.875 1.00 0.00 O ATOM 0 H ASP A 14 0.219 -6.502 1.505 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.960 -5.969 -0.204 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -1.286 -5.499 2.440 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -1.197 -3.888 1.755 1.00 0.00 H new ATOM 248 N ASN A 15 0.713 -4.019 -0.392 1.00 0.00 N ATOM 249 CA ASN A 15 1.356 -2.953 -1.141 1.00 0.00 C ATOM 250 C ASN A 15 1.307 -3.282 -2.635 1.00 0.00 C ATOM 251 O ASN A 15 0.905 -2.410 -3.418 1.00 0.00 O ATOM 252 CB ASN A 15 2.824 -2.805 -0.738 1.00 0.00 C ATOM 253 CG ASN A 15 3.351 -1.411 -1.089 1.00 0.00 C ATOM 254 OD1 ASN A 15 3.774 -1.142 -2.201 1.00 0.00 O ATOM 255 ND2 ASN A 15 3.301 -0.545 -0.083 1.00 0.00 N ATOM 0 H ASN A 15 1.332 -4.510 0.253 1.00 0.00 H new ATOM 0 HA ASN A 15 0.827 -2.024 -0.926 1.00 0.00 H new ATOM 0 HB2 ASN A 15 2.930 -2.979 0.333 1.00 0.00 H new ATOM 0 HB3 ASN A 15 3.422 -3.562 -1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 15 3.629 0.412 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.935 -0.837 0.823 1.00 0.00 H new ATOM 262 N TYR A 16 1.708 -4.515 -2.992 1.00 0.00 N ATOM 263 CA TYR A 16 1.690 -4.889 -4.396 1.00 0.00 C ATOM 264 C TYR A 16 0.254 -4.822 -4.918 1.00 0.00 C ATOM 265 O TYR A 16 0.075 -4.425 -6.080 1.00 0.00 O ATOM 266 CB TYR A 16 2.300 -6.291 -4.579 1.00 0.00 C ATOM 267 CG TYR A 16 3.663 -6.476 -3.927 1.00 0.00 C ATOM 268 CD1 TYR A 16 4.465 -5.349 -3.633 1.00 0.00 C ATOM 269 CD2 TYR A 16 4.134 -7.770 -3.606 1.00 0.00 C ATOM 270 CE1 TYR A 16 5.728 -5.514 -3.025 1.00 0.00 C ATOM 271 CE2 TYR A 16 5.397 -7.936 -2.999 1.00 0.00 C ATOM 272 CZ TYR A 16 6.196 -6.808 -2.709 1.00 0.00 C ATOM 273 OH TYR A 16 7.419 -6.965 -2.122 1.00 0.00 O ATOM 0 H TYR A 16 2.034 -5.236 -2.349 1.00 0.00 H new ATOM 0 HA TYR A 16 2.297 -4.192 -4.975 1.00 0.00 H new ATOM 0 HB2 TYR A 16 1.612 -7.029 -4.168 1.00 0.00 H new ATOM 0 HB3 TYR A 16 2.390 -6.498 -5.645 1.00 0.00 H new ATOM 0 HD1 TYR A 16 4.110 -4.358 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.525 -8.634 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 16 6.337 -4.650 -2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 16 5.753 -8.926 -2.756 1.00 0.00 H new ATOM 0 HH TYR A 16 7.622 -6.178 -1.574 1.00 0.00 H new ATOM 283 N HIS A 17 -0.722 -5.208 -4.076 1.00 0.00 N ATOM 284 CA HIS A 17 -2.122 -5.197 -4.463 1.00 0.00 C ATOM 285 C HIS A 17 -2.608 -3.750 -4.560 1.00 0.00 C ATOM 286 O HIS A 17 -3.459 -3.469 -5.417 1.00 0.00 O ATOM 287 CB HIS A 17 -2.961 -6.041 -3.503 1.00 0.00 C ATOM 288 CG HIS A 17 -4.133 -5.304 -2.899 1.00 0.00 C ATOM 289 ND1 HIS A 17 -4.251 -4.638 -1.715 1.00 0.00 N flip ATOM 290 CD2 HIS A 17 -5.359 -5.198 -3.531 1.00 0.00 C flip ATOM 291 CE1 HIS A 17 -5.483 -4.151 -1.629 1.00 0.00 C flip ATOM 292 NE2 HIS A 17 -6.172 -4.496 -2.754 1.00 0.00 N flip ATOM 0 H HIS A 17 -0.554 -5.530 -3.123 1.00 0.00 H new ATOM 0 HA HIS A 17 -2.237 -5.654 -5.446 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -3.331 -6.917 -4.035 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -2.320 -6.403 -2.699 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -3.517 -4.532 -1.014 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -5.611 -5.616 -4.494 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -5.875 -3.576 -0.803 1.00 0.00 H new ATOM 300 N LEU A 18 -2.068 -2.873 -3.694 1.00 0.00 N ATOM 301 CA LEU A 18 -2.445 -1.470 -3.682 1.00 0.00 C ATOM 302 C LEU A 18 -1.765 -0.755 -4.851 1.00 0.00 C ATOM 303 O LEU A 18 -2.439 0.031 -5.533 1.00 0.00 O ATOM 304 CB LEU A 18 -2.142 -0.846 -2.318 1.00 0.00 C ATOM 305 CG LEU A 18 -3.051 -1.276 -1.166 1.00 0.00 C ATOM 306 CD1 LEU A 18 -2.401 -0.977 0.186 1.00 0.00 C ATOM 307 CD2 LEU A 18 -4.435 -0.637 -1.290 1.00 0.00 C ATOM 0 H LEU A 18 -1.368 -3.124 -2.996 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.520 -1.362 -3.824 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.113 -1.087 -2.051 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.201 0.238 -2.416 1.00 0.00 H new ATOM 0 HG LEU A 18 -3.189 -2.356 -1.226 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -3.068 -1.292 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.458 -1.518 0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.213 0.093 0.270 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.061 -0.960 -0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.338 0.448 -1.271 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.894 -0.944 -2.230 1.00 0.00 H new ATOM 319 N GLU A 19 -0.466 -1.037 -5.056 1.00 0.00 N ATOM 320 CA GLU A 19 0.294 -0.424 -6.133 1.00 0.00 C ATOM 321 C GLU A 19 -0.321 -0.824 -7.476 1.00 0.00 C ATOM 322 O GLU A 19 -0.326 0.009 -8.394 1.00 0.00 O ATOM 323 CB GLU A 19 1.772 -0.811 -6.068 1.00 0.00 C ATOM 324 CG GLU A 19 2.662 0.431 -5.997 1.00 0.00 C ATOM 325 CD GLU A 19 2.985 0.955 -7.398 1.00 0.00 C ATOM 326 OE1 GLU A 19 2.075 1.117 -8.224 1.00 0.00 O ATOM 327 OE2 GLU A 19 4.233 1.197 -7.615 1.00 0.00 O ATOM 0 H GLU A 19 0.070 -1.688 -4.483 1.00 0.00 H new ATOM 0 HA GLU A 19 0.246 0.659 -6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.949 -1.440 -5.195 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.036 -1.402 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 19 2.162 1.209 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 19 3.587 0.191 -5.473 1.00 0.00 H new ATOM 334 N ASN A 20 -0.816 -2.072 -7.564 1.00 0.00 N ATOM 335 CA ASN A 20 -1.424 -2.575 -8.784 1.00 0.00 C ATOM 336 C ASN A 20 -2.763 -1.868 -9.009 1.00 0.00 C ATOM 337 O ASN A 20 -3.185 -1.760 -10.170 1.00 0.00 O ATOM 338 CB ASN A 20 -1.693 -4.078 -8.686 1.00 0.00 C ATOM 339 CG ASN A 20 -0.523 -4.882 -9.258 1.00 0.00 C ATOM 340 OD1 ASN A 20 0.218 -4.426 -10.112 1.00 0.00 O ATOM 341 ND2 ASN A 20 -0.402 -6.101 -8.740 1.00 0.00 N ATOM 0 H ASN A 20 -0.801 -2.743 -6.796 1.00 0.00 H new ATOM 0 HA ASN A 20 -0.736 -2.385 -9.608 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -1.855 -4.355 -7.644 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -2.607 -4.324 -9.227 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.347 -6.717 -9.056 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.058 -6.420 -8.027 1.00 0.00 H new ATOM 348 N GLU A 21 -3.393 -1.410 -7.913 1.00 0.00 N ATOM 349 CA GLU A 21 -4.671 -0.721 -7.992 1.00 0.00 C ATOM 350 C GLU A 21 -4.430 0.756 -8.310 1.00 0.00 C ATOM 351 O GLU A 21 -5.223 1.332 -9.069 1.00 0.00 O ATOM 352 CB GLU A 21 -5.475 -0.879 -6.700 1.00 0.00 C ATOM 353 CG GLU A 21 -6.950 -1.148 -7.001 1.00 0.00 C ATOM 354 CD GLU A 21 -7.693 0.154 -7.306 1.00 0.00 C ATOM 355 OE1 GLU A 21 -7.672 1.028 -6.358 1.00 0.00 O ATOM 356 OE2 GLU A 21 -8.258 0.305 -8.400 1.00 0.00 O ATOM 0 H GLU A 21 -3.029 -1.510 -6.966 1.00 0.00 H new ATOM 0 HA GLU A 21 -5.262 -1.170 -8.791 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -5.065 -1.699 -6.111 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -5.382 0.024 -6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.034 -1.826 -7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.414 -1.645 -6.149 1.00 0.00 H new ATOM 363 N VAL A 22 -3.359 1.330 -7.734 1.00 0.00 N ATOM 364 CA VAL A 22 -3.021 2.725 -7.955 1.00 0.00 C ATOM 365 C VAL A 22 -2.353 2.873 -9.324 1.00 0.00 C ATOM 366 O VAL A 22 -2.611 3.880 -10.000 1.00 0.00 O ATOM 367 CB VAL A 22 -2.150 3.241 -6.808 1.00 0.00 C ATOM 368 CG1 VAL A 22 -1.587 4.628 -7.127 1.00 0.00 C ATOM 369 CG2 VAL A 22 -2.930 3.256 -5.492 1.00 0.00 C ATOM 0 H VAL A 22 -2.718 0.837 -7.112 1.00 0.00 H new ATOM 0 HA VAL A 22 -3.922 3.339 -7.964 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.309 2.557 -6.692 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.972 4.971 -6.295 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.979 4.575 -8.030 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -2.409 5.327 -7.283 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.288 3.627 -4.693 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.799 3.907 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.260 2.245 -5.253 1.00 0.00 H new ATOM 379 N ALA A 23 -1.524 1.883 -9.700 1.00 0.00 N ATOM 380 CA ALA A 23 -0.829 1.904 -10.976 1.00 0.00 C ATOM 381 C ALA A 23 -1.848 1.774 -12.109 1.00 0.00 C ATOM 382 O ALA A 23 -1.553 2.231 -13.223 1.00 0.00 O ATOM 383 CB ALA A 23 0.089 0.684 -11.082 1.00 0.00 C ATOM 0 H ALA A 23 -1.326 1.061 -9.129 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.264 2.834 -11.047 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.609 0.702 -12.040 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.819 0.706 -10.272 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.506 -0.226 -11.009 1.00 0.00 H new ATOM 389 N ARG A 24 -3.008 1.164 -11.808 1.00 0.00 N ATOM 390 CA ARG A 24 -4.059 0.977 -12.795 1.00 0.00 C ATOM 391 C ARG A 24 -4.971 2.205 -12.801 1.00 0.00 C ATOM 392 O ARG A 24 -5.550 2.504 -13.855 1.00 0.00 O ATOM 393 CB ARG A 24 -4.895 -0.270 -12.499 1.00 0.00 C ATOM 394 CG ARG A 24 -4.286 -1.508 -13.159 1.00 0.00 C ATOM 395 CD ARG A 24 -5.051 -2.773 -12.762 1.00 0.00 C ATOM 396 NE ARG A 24 -5.689 -3.373 -13.954 1.00 0.00 N ATOM 397 CZ ARG A 24 -6.960 -3.828 -13.984 1.00 0.00 C ATOM 398 NH1 ARG A 24 -7.708 -3.738 -12.875 1.00 0.00 N ATOM 399 NH2 ARG A 24 -7.466 -4.360 -15.105 1.00 0.00 N ATOM 0 H ARG A 24 -3.231 0.795 -10.884 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.588 0.846 -13.769 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.959 -0.422 -11.422 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.913 -0.124 -12.861 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.304 -1.393 -14.243 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -3.241 -1.604 -12.866 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.371 -3.491 -12.303 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.809 -2.531 -12.017 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.134 -3.448 -14.807 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.315 -3.331 -12.026 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.670 -4.077 -12.880 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.890 -4.424 -15.944 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -8.427 -4.701 -15.119 1.00 0.00 H new ATOM 413 N LEU A 25 -5.079 2.881 -11.643 1.00 0.00 N ATOM 414 CA LEU A 25 -5.913 4.064 -11.516 1.00 0.00 C ATOM 415 C LEU A 25 -5.141 5.283 -12.025 1.00 0.00 C ATOM 416 O LEU A 25 -5.763 6.156 -12.649 1.00 0.00 O ATOM 417 CB LEU A 25 -6.418 4.212 -10.080 1.00 0.00 C ATOM 418 CG LEU A 25 -7.503 3.224 -9.646 1.00 0.00 C ATOM 419 CD1 LEU A 25 -7.729 3.288 -8.134 1.00 0.00 C ATOM 420 CD2 LEU A 25 -8.798 3.454 -10.428 1.00 0.00 C ATOM 0 H LEU A 25 -4.593 2.618 -10.786 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.805 3.969 -12.135 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.569 4.108 -9.405 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -6.804 5.224 -9.954 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.160 2.216 -9.879 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.505 2.576 -7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.802 3.039 -7.617 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.041 4.294 -7.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -9.553 2.739 -10.100 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -9.156 4.468 -10.248 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -8.609 3.319 -11.493 1.00 0.00 H new ATOM 432 N LYS A 26 -3.824 5.319 -11.755 1.00 0.00 N ATOM 433 CA LYS A 26 -2.979 6.420 -12.183 1.00 0.00 C ATOM 434 C LYS A 26 -3.041 6.544 -13.706 1.00 0.00 C ATOM 435 O LYS A 26 -2.772 7.640 -14.220 1.00 0.00 O ATOM 436 CB LYS A 26 -1.560 6.250 -11.637 1.00 0.00 C ATOM 437 CG LYS A 26 -1.303 7.207 -10.470 1.00 0.00 C ATOM 438 CD LYS A 26 -2.512 7.268 -9.535 1.00 0.00 C ATOM 439 CE LYS A 26 -3.329 8.537 -9.778 1.00 0.00 C ATOM 440 NZ LYS A 26 -3.418 9.338 -8.545 1.00 0.00 N ATOM 0 H LYS A 26 -3.331 4.590 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 26 -3.344 7.361 -11.772 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.414 5.221 -11.307 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.836 6.436 -12.431 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.425 6.880 -9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.085 8.204 -10.854 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -3.141 6.391 -9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -2.176 7.240 -8.498 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.868 9.127 -10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.330 8.272 -10.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.631 10.327 -8.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -4.174 8.960 -7.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.512 9.294 -8.036 1.00 0.00 H new ATOM 454 N LYS A 27 -3.390 5.436 -14.387 1.00 0.00 N ATOM 455 CA LYS A 27 -3.485 5.422 -15.836 1.00 0.00 C ATOM 456 C LYS A 27 -4.810 6.057 -16.262 1.00 0.00 C ATOM 457 O LYS A 27 -4.986 6.304 -17.464 1.00 0.00 O ATOM 458 CB LYS A 27 -3.282 4.003 -16.372 1.00 0.00 C ATOM 459 CG LYS A 27 -2.348 4.003 -17.583 1.00 0.00 C ATOM 460 CD LYS A 27 -1.862 2.587 -17.901 1.00 0.00 C ATOM 461 CE LYS A 27 -2.993 1.739 -18.488 1.00 0.00 C ATOM 462 NZ LYS A 27 -2.838 0.329 -18.092 1.00 0.00 N ATOM 0 H LYS A 27 -3.609 4.544 -13.944 1.00 0.00 H new ATOM 0 HA LYS A 27 -2.688 6.021 -16.276 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.866 3.370 -15.588 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.245 3.575 -16.651 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.868 4.416 -18.448 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.493 4.649 -17.387 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.033 2.633 -18.607 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.483 2.116 -16.994 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.956 2.116 -18.143 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.990 1.820 -19.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.613 -0.233 -18.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.928 -0.032 -18.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.863 0.255 -17.055 1.00 0.00 H new ATOM 476 N LEU A 28 -5.701 6.304 -15.286 1.00 0.00 N ATOM 477 CA LEU A 28 -6.996 6.903 -15.558 1.00 0.00 C ATOM 478 C LEU A 28 -7.035 8.315 -14.967 1.00 0.00 C ATOM 479 O LEU A 28 -7.648 9.196 -15.586 1.00 0.00 O ATOM 480 CB LEU A 28 -8.123 5.997 -15.058 1.00 0.00 C ATOM 481 CG LEU A 28 -9.268 5.745 -16.042 1.00 0.00 C ATOM 482 CD1 LEU A 28 -9.037 4.456 -16.833 1.00 0.00 C ATOM 483 CD2 LEU A 28 -10.618 5.742 -15.323 1.00 0.00 C ATOM 0 H LEU A 28 -5.536 6.093 -14.302 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.151 7.001 -16.632 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.692 5.035 -14.778 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.540 6.435 -14.151 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.288 6.565 -16.760 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.865 4.300 -17.525 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.106 4.535 -17.394 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.976 3.613 -16.145 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.414 5.561 -16.045 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -10.627 4.956 -14.568 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.777 6.707 -14.843 1.00 0.00 H new ATOM 495 N VAL A 29 -6.390 8.496 -13.801 1.00 0.00 N ATOM 496 CA VAL A 29 -6.351 9.787 -13.136 1.00 0.00 C ATOM 497 C VAL A 29 -4.935 10.358 -13.223 1.00 0.00 C ATOM 498 O VAL A 29 -4.776 11.461 -13.766 1.00 0.00 O ATOM 499 CB VAL A 29 -6.852 9.649 -11.696 1.00 0.00 C ATOM 500 CG1 VAL A 29 -7.135 11.021 -11.081 1.00 0.00 C ATOM 501 CG2 VAL A 29 -8.091 8.754 -11.631 1.00 0.00 C ATOM 0 H VAL A 29 -5.891 7.755 -13.308 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.017 10.492 -13.632 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.064 9.175 -11.111 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.490 10.895 -10.058 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -6.220 11.614 -11.078 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.897 11.533 -11.669 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -8.427 8.672 -10.597 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -8.886 9.188 -12.238 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -7.844 7.763 -12.012 1.00 0.00 H new ATOM 511 N GLY A 30 -3.949 9.610 -12.694 1.00 0.00 N ATOM 512 CA GLY A 30 -2.562 10.039 -12.713 1.00 0.00 C ATOM 513 C GLY A 30 -2.152 10.363 -14.151 1.00 0.00 C ATOM 514 O GLY A 30 -1.043 10.882 -14.345 1.00 0.00 O ATOM 0 H GLY A 30 -4.101 8.705 -12.250 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -2.432 10.916 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -1.922 9.256 -12.308 1.00 0.00 H new ATOM 518 N GLU A 31 -3.039 10.056 -15.114 1.00 0.00 N ATOM 519 CA GLU A 31 -2.771 10.314 -16.519 1.00 0.00 C ATOM 520 C GLU A 31 -3.009 11.795 -16.816 1.00 0.00 C ATOM 521 O GLU A 31 -4.178 12.201 -16.896 1.00 0.00 O ATOM 522 CB GLU A 31 -3.628 9.428 -17.426 1.00 0.00 C ATOM 523 CG GLU A 31 -2.755 8.628 -18.394 1.00 0.00 C ATOM 524 CD GLU A 31 -2.699 9.302 -19.766 1.00 0.00 C ATOM 525 OE1 GLU A 31 -2.859 10.582 -19.752 1.00 0.00 O ATOM 526 OE2 GLU A 31 -2.510 8.621 -20.785 1.00 0.00 O ATOM 0 H GLU A 31 -3.947 9.628 -14.933 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.730 10.069 -16.727 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -4.222 8.746 -16.818 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.328 10.046 -17.988 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.747 8.535 -17.989 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.151 7.618 -18.497 1.00 0.00 H new ATOM 533 N ARG A 32 -1.914 12.561 -16.971 1.00 0.00 N ATOM 534 CA ARG A 32 -2.003 13.984 -17.257 1.00 0.00 C ATOM 535 C ARG A 32 -3.068 14.218 -18.330 1.00 0.00 C ATOM 536 O ARG A 32 -4.125 14.778 -18.049 1.00 0.00 O ATOM 537 CB ARG A 32 -0.667 14.546 -17.743 1.00 0.00 C ATOM 538 CG ARG A 32 0.454 13.516 -17.580 1.00 0.00 C ATOM 539 CD ARG A 32 0.271 12.348 -18.551 1.00 0.00 C ATOM 540 NE ARG A 32 -0.837 12.638 -19.489 1.00 0.00 N ATOM 541 CZ ARG A 32 -0.668 13.172 -20.718 1.00 0.00 C ATOM 542 NH1 ARG A 32 0.572 13.464 -21.135 1.00 0.00 N ATOM 543 NH2 ARG A 32 -1.724 13.405 -21.509 1.00 0.00 N ATOM 0 H ARG A 32 -0.960 12.207 -16.901 1.00 0.00 H new ATOM 0 HA ARG A 32 -2.271 14.498 -16.334 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -0.750 14.836 -18.791 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -0.422 15.447 -17.181 1.00 0.00 H new ATOM 0 HG2 ARG A 32 1.419 13.992 -17.756 1.00 0.00 H new ATOM 0 HG3 ARG A 32 0.465 13.144 -16.556 1.00 0.00 H new ATOM 0 HD2 ARG A 32 1.193 12.178 -19.106 1.00 0.00 H new ATOM 0 HD3 ARG A 32 0.059 11.433 -17.997 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.787 12.421 -19.188 1.00 0.00 H new ATOM 0 HH11 ARG A 32 1.371 13.282 -20.527 1.00 0.00 H new ATOM 0 HH12 ARG A 32 0.717 13.868 -22.060 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -2.664 13.179 -21.184 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.588 13.809 -22.436 1.00 0.00 H new ATOM 558 N MET B 1 16.324 -6.850 12.651 1.00 0.00 N ATOM 559 CA MET B 1 15.073 -6.679 13.370 1.00 0.00 C ATOM 560 C MET B 1 14.824 -5.187 13.604 1.00 0.00 C ATOM 561 O MET B 1 13.672 -4.752 13.465 1.00 0.00 O ATOM 562 CB MET B 1 15.128 -7.404 14.716 1.00 0.00 C ATOM 563 CG MET B 1 13.790 -8.074 15.034 1.00 0.00 C ATOM 564 SD MET B 1 13.571 -8.203 16.832 1.00 0.00 S ATOM 565 CE MET B 1 15.203 -8.847 17.305 1.00 0.00 C ATOM 0 H1 MET B 1 16.407 -7.835 12.327 1.00 0.00 H new ATOM 0 H2 MET B 1 16.342 -6.213 11.829 1.00 0.00 H new ATOM 0 H3 MET B 1 17.120 -6.625 13.281 1.00 0.00 H new ATOM 0 HA MET B 1 14.263 -7.102 12.776 1.00 0.00 H new ATOM 0 HB2 MET B 1 15.919 -8.154 14.697 1.00 0.00 H new ATOM 0 HB3 MET B 1 15.380 -6.695 15.505 1.00 0.00 H new ATOM 0 HG2 MET B 1 12.973 -7.497 14.600 1.00 0.00 H new ATOM 0 HG3 MET B 1 13.754 -9.066 14.583 1.00 0.00 H new ATOM 0 HE1 MET B 1 15.135 -9.329 18.280 1.00 0.00 H new ATOM 0 HE2 MET B 1 15.537 -9.573 16.564 1.00 0.00 H new ATOM 0 HE3 MET B 1 15.918 -8.026 17.355 1.00 0.00 H new ATOM 575 N ASP B 2 15.892 -4.445 13.949 1.00 0.00 N ATOM 576 CA ASP B 2 15.790 -3.018 14.198 1.00 0.00 C ATOM 577 C ASP B 2 15.117 -2.342 13.002 1.00 0.00 C ATOM 578 O ASP B 2 14.379 -1.368 13.212 1.00 0.00 O ATOM 579 CB ASP B 2 17.174 -2.389 14.378 1.00 0.00 C ATOM 580 CG ASP B 2 17.831 -2.651 15.734 1.00 0.00 C ATOM 581 OD1 ASP B 2 18.210 -3.869 15.932 1.00 0.00 O ATOM 582 OD2 ASP B 2 17.974 -1.739 16.562 1.00 0.00 O ATOM 0 H ASP B 2 16.833 -4.823 14.059 1.00 0.00 H new ATOM 0 HA ASP B 2 15.208 -2.876 15.109 1.00 0.00 H new ATOM 0 HB2 ASP B 2 17.832 -2.764 13.594 1.00 0.00 H new ATOM 0 HB3 ASP B 2 17.089 -1.312 14.234 1.00 0.00 H new ATOM 587 N ALA B 3 15.379 -2.863 11.789 1.00 0.00 N ATOM 588 CA ALA B 3 14.802 -2.314 10.574 1.00 0.00 C ATOM 589 C ALA B 3 13.495 -3.043 10.260 1.00 0.00 C ATOM 590 O ALA B 3 12.729 -2.546 9.422 1.00 0.00 O ATOM 591 CB ALA B 3 15.737 -2.583 9.393 1.00 0.00 C ATOM 0 H ALA B 3 15.990 -3.666 11.637 1.00 0.00 H new ATOM 0 HA ALA B 3 14.643 -1.246 10.720 1.00 0.00 H new ATOM 0 HB1 ALA B 3 15.302 -2.170 8.483 1.00 0.00 H new ATOM 0 HB2 ALA B 3 16.703 -2.113 9.579 1.00 0.00 H new ATOM 0 HB3 ALA B 3 15.874 -3.658 9.275 1.00 0.00 H new ATOM 597 N ILE B 4 13.269 -4.188 10.929 1.00 0.00 N ATOM 598 CA ILE B 4 12.065 -4.976 10.723 1.00 0.00 C ATOM 599 C ILE B 4 10.881 -4.273 11.388 1.00 0.00 C ATOM 600 O ILE B 4 9.832 -4.143 10.740 1.00 0.00 O ATOM 601 CB ILE B 4 12.277 -6.413 11.203 1.00 0.00 C ATOM 602 CG1 ILE B 4 13.274 -7.150 10.307 1.00 0.00 C ATOM 603 CG2 ILE B 4 10.944 -7.158 11.309 1.00 0.00 C ATOM 604 CD1 ILE B 4 12.668 -8.443 9.758 1.00 0.00 C ATOM 0 H ILE B 4 13.913 -4.579 11.616 1.00 0.00 H new ATOM 0 HA ILE B 4 11.835 -5.051 9.660 1.00 0.00 H new ATOM 0 HB ILE B 4 12.708 -6.378 12.204 1.00 0.00 H new ATOM 0 HG12 ILE B 4 13.572 -6.504 9.481 1.00 0.00 H new ATOM 0 HG13 ILE B 4 14.177 -7.379 10.873 1.00 0.00 H new ATOM 0 HG21 ILE B 4 11.123 -8.177 11.652 1.00 0.00 H new ATOM 0 HG22 ILE B 4 10.296 -6.645 12.019 1.00 0.00 H new ATOM 0 HG23 ILE B 4 10.463 -7.184 10.331 1.00 0.00 H new ATOM 0 HD11 ILE B 4 13.398 -8.947 9.124 1.00 0.00 H new ATOM 0 HD12 ILE B 4 12.394 -9.097 10.586 1.00 0.00 H new ATOM 0 HD13 ILE B 4 11.780 -8.208 9.172 1.00 0.00 H new ATOM 616 N LYS B 5 11.068 -3.840 12.648 1.00 0.00 N ATOM 617 CA LYS B 5 10.021 -3.158 13.391 1.00 0.00 C ATOM 618 C LYS B 5 9.587 -1.910 12.622 1.00 0.00 C ATOM 619 O LYS B 5 8.407 -1.541 12.714 1.00 0.00 O ATOM 620 CB LYS B 5 10.481 -2.870 14.822 1.00 0.00 C ATOM 621 CG LYS B 5 11.298 -4.037 15.380 1.00 0.00 C ATOM 622 CD LYS B 5 12.717 -3.591 15.739 1.00 0.00 C ATOM 623 CE LYS B 5 13.586 -4.788 16.129 1.00 0.00 C ATOM 624 NZ LYS B 5 13.368 -5.148 17.539 1.00 0.00 N ATOM 0 H LYS B 5 11.940 -3.956 13.164 1.00 0.00 H new ATOM 0 HA LYS B 5 9.142 -3.796 13.485 1.00 0.00 H new ATOM 0 HB2 LYS B 5 11.081 -1.960 14.839 1.00 0.00 H new ATOM 0 HB3 LYS B 5 9.614 -2.692 15.458 1.00 0.00 H new ATOM 0 HG2 LYS B 5 10.805 -4.441 16.265 1.00 0.00 H new ATOM 0 HG3 LYS B 5 11.341 -4.840 14.644 1.00 0.00 H new ATOM 0 HD2 LYS B 5 13.165 -3.073 14.891 1.00 0.00 H new ATOM 0 HD3 LYS B 5 12.681 -2.879 16.564 1.00 0.00 H new ATOM 0 HE2 LYS B 5 13.350 -5.639 15.490 1.00 0.00 H new ATOM 0 HE3 LYS B 5 14.637 -4.549 15.967 1.00 0.00 H new ATOM 0 HZ1 LYS B 5 13.334 -6.183 17.632 1.00 0.00 H new ATOM 0 HZ2 LYS B 5 14.147 -4.774 18.117 1.00 0.00 H new ATOM 0 HZ3 LYS B 5 12.468 -4.742 17.866 1.00 0.00 H new ATOM 638 N LYS B 6 10.532 -1.294 11.890 1.00 0.00 N ATOM 639 CA LYS B 6 10.248 -0.099 11.114 1.00 0.00 C ATOM 640 C LYS B 6 9.724 -0.504 9.735 1.00 0.00 C ATOM 641 O LYS B 6 8.939 0.261 9.154 1.00 0.00 O ATOM 642 CB LYS B 6 11.479 0.810 11.061 1.00 0.00 C ATOM 643 CG LYS B 6 12.548 0.345 12.051 1.00 0.00 C ATOM 644 CD LYS B 6 13.591 1.439 12.287 1.00 0.00 C ATOM 645 CE LYS B 6 13.983 1.513 13.764 1.00 0.00 C ATOM 646 NZ LYS B 6 14.466 2.862 14.102 1.00 0.00 N ATOM 0 H LYS B 6 11.498 -1.614 11.827 1.00 0.00 H new ATOM 0 HA LYS B 6 9.465 0.489 11.593 1.00 0.00 H new ATOM 0 HB2 LYS B 6 11.890 0.813 10.051 1.00 0.00 H new ATOM 0 HB3 LYS B 6 11.188 1.835 11.290 1.00 0.00 H new ATOM 0 HG2 LYS B 6 12.079 0.075 12.997 1.00 0.00 H new ATOM 0 HG3 LYS B 6 13.036 -0.552 11.669 1.00 0.00 H new ATOM 0 HD2 LYS B 6 14.475 1.240 11.682 1.00 0.00 H new ATOM 0 HD3 LYS B 6 13.194 2.401 11.964 1.00 0.00 H new ATOM 0 HE2 LYS B 6 13.125 1.261 14.387 1.00 0.00 H new ATOM 0 HE3 LYS B 6 14.759 0.778 13.978 1.00 0.00 H new ATOM 0 HZ1 LYS B 6 14.728 2.895 15.108 1.00 0.00 H new ATOM 0 HZ2 LYS B 6 15.298 3.089 13.520 1.00 0.00 H new ATOM 0 HZ3 LYS B 6 13.714 3.556 13.917 1.00 0.00 H new ATOM 660 N LYS B 7 10.159 -1.678 9.246 1.00 0.00 N ATOM 661 CA LYS B 7 9.736 -2.177 7.949 1.00 0.00 C ATOM 662 C LYS B 7 8.207 -2.233 7.902 1.00 0.00 C ATOM 663 O LYS B 7 7.632 -1.790 6.898 1.00 0.00 O ATOM 664 CB LYS B 7 10.410 -3.516 7.643 1.00 0.00 C ATOM 665 CG LYS B 7 10.000 -4.034 6.264 1.00 0.00 C ATOM 666 CD LYS B 7 10.072 -2.922 5.216 1.00 0.00 C ATOM 667 CE LYS B 7 9.992 -3.497 3.800 1.00 0.00 C ATOM 668 NZ LYS B 7 10.984 -4.570 3.622 1.00 0.00 N ATOM 0 H LYS B 7 10.806 -2.293 9.740 1.00 0.00 H new ATOM 0 HA LYS B 7 10.055 -1.498 7.158 1.00 0.00 H new ATOM 0 HB2 LYS B 7 11.493 -3.400 7.684 1.00 0.00 H new ATOM 0 HB3 LYS B 7 10.138 -4.246 8.405 1.00 0.00 H new ATOM 0 HG2 LYS B 7 10.653 -4.856 5.972 1.00 0.00 H new ATOM 0 HG3 LYS B 7 8.986 -4.432 6.308 1.00 0.00 H new ATOM 0 HD2 LYS B 7 9.256 -2.217 5.373 1.00 0.00 H new ATOM 0 HD3 LYS B 7 11.002 -2.365 5.334 1.00 0.00 H new ATOM 0 HE2 LYS B 7 8.990 -3.885 3.615 1.00 0.00 H new ATOM 0 HE3 LYS B 7 10.167 -2.707 3.070 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 11.197 -4.681 2.610 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 11.855 -4.326 4.135 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 10.601 -5.462 3.995 1.00 0.00 H new ATOM 682 N MET B 8 7.592 -2.768 8.972 1.00 0.00 N ATOM 683 CA MET B 8 6.146 -2.879 9.052 1.00 0.00 C ATOM 684 C MET B 8 5.537 -1.483 9.198 1.00 0.00 C ATOM 685 O MET B 8 4.358 -1.315 8.859 1.00 0.00 O ATOM 686 CB MET B 8 5.743 -3.741 10.250 1.00 0.00 C ATOM 687 CG MET B 8 6.382 -3.219 11.539 1.00 0.00 C ATOM 688 SD MET B 8 5.277 -3.522 12.948 1.00 0.00 S ATOM 689 CE MET B 8 5.295 -5.339 12.979 1.00 0.00 C ATOM 0 H MET B 8 8.086 -3.128 9.789 1.00 0.00 H new ATOM 0 HA MET B 8 5.776 -3.350 8.141 1.00 0.00 H new ATOM 0 HB2 MET B 8 4.658 -3.743 10.353 1.00 0.00 H new ATOM 0 HB3 MET B 8 6.049 -4.773 10.080 1.00 0.00 H new ATOM 0 HG2 MET B 8 7.340 -3.712 11.705 1.00 0.00 H new ATOM 0 HG3 MET B 8 6.584 -2.152 11.448 1.00 0.00 H new ATOM 0 HE1 MET B 8 4.406 -5.703 13.494 1.00 0.00 H new ATOM 0 HE2 MET B 8 5.304 -5.720 11.958 1.00 0.00 H new ATOM 0 HE3 MET B 8 6.186 -5.685 13.503 1.00 0.00 H new ATOM 699 N GLN B 9 6.343 -0.525 9.692 1.00 0.00 N ATOM 700 CA GLN B 9 5.887 0.842 9.880 1.00 0.00 C ATOM 701 C GLN B 9 5.960 1.588 8.546 1.00 0.00 C ATOM 702 O GLN B 9 5.214 2.565 8.375 1.00 0.00 O ATOM 703 CB GLN B 9 6.702 1.563 10.957 1.00 0.00 C ATOM 704 CG GLN B 9 6.356 1.035 12.351 1.00 0.00 C ATOM 705 CD GLN B 9 6.695 2.068 13.427 1.00 0.00 C ATOM 706 OE1 GLN B 9 5.910 2.944 13.752 1.00 0.00 O ATOM 707 NE2 GLN B 9 7.904 1.918 13.960 1.00 0.00 N ATOM 0 H GLN B 9 7.313 -0.685 9.965 1.00 0.00 H new ATOM 0 HA GLN B 9 4.853 0.821 10.224 1.00 0.00 H new ATOM 0 HB2 GLN B 9 7.766 1.425 10.766 1.00 0.00 H new ATOM 0 HB3 GLN B 9 6.506 2.634 10.911 1.00 0.00 H new ATOM 0 HG2 GLN B 9 5.295 0.790 12.398 1.00 0.00 H new ATOM 0 HG3 GLN B 9 6.905 0.113 12.541 1.00 0.00 H new ATOM 0 HE21 GLN B 9 8.511 1.163 13.642 1.00 0.00 H new ATOM 0 HE22 GLN B 9 8.224 2.558 14.687 1.00 0.00 H new ATOM 716 N MET B 10 6.840 1.122 7.643 1.00 0.00 N ATOM 717 CA MET B 10 7.007 1.741 6.339 1.00 0.00 C ATOM 718 C MET B 10 5.904 1.246 5.400 1.00 0.00 C ATOM 719 O MET B 10 5.408 2.049 4.598 1.00 0.00 O ATOM 720 CB MET B 10 8.374 1.387 5.752 1.00 0.00 C ATOM 721 CG MET B 10 9.477 1.538 6.801 1.00 0.00 C ATOM 722 SD MET B 10 10.799 2.608 6.163 1.00 0.00 S ATOM 723 CE MET B 10 10.552 4.074 7.208 1.00 0.00 C ATOM 0 H MET B 10 7.443 0.315 7.804 1.00 0.00 H new ATOM 0 HA MET B 10 6.942 2.823 6.449 1.00 0.00 H new ATOM 0 HB2 MET B 10 8.359 0.363 5.379 1.00 0.00 H new ATOM 0 HB3 MET B 10 8.586 2.033 4.900 1.00 0.00 H new ATOM 0 HG2 MET B 10 9.064 1.962 7.716 1.00 0.00 H new ATOM 0 HG3 MET B 10 9.882 0.559 7.058 1.00 0.00 H new ATOM 0 HE1 MET B 10 11.287 4.835 6.946 1.00 0.00 H new ATOM 0 HE2 MET B 10 9.548 4.469 7.050 1.00 0.00 H new ATOM 0 HE3 MET B 10 10.673 3.799 8.256 1.00 0.00 H new ATOM 733 N LEU B 11 5.549 -0.047 5.518 1.00 0.00 N ATOM 734 CA LEU B 11 4.516 -0.639 4.686 1.00 0.00 C ATOM 735 C LEU B 11 3.141 -0.216 5.207 1.00 0.00 C ATOM 736 O LEU B 11 2.191 -0.186 4.410 1.00 0.00 O ATOM 737 CB LEU B 11 4.700 -2.157 4.602 1.00 0.00 C ATOM 738 CG LEU B 11 6.037 -2.639 4.036 1.00 0.00 C ATOM 739 CD1 LEU B 11 6.065 -4.164 3.920 1.00 0.00 C ATOM 740 CD2 LEU B 11 6.347 -1.957 2.703 1.00 0.00 C ATOM 0 H LEU B 11 5.970 -0.692 6.186 1.00 0.00 H new ATOM 0 HA LEU B 11 4.596 -0.273 3.663 1.00 0.00 H new ATOM 0 HB2 LEU B 11 4.580 -2.574 5.602 1.00 0.00 H new ATOM 0 HB3 LEU B 11 3.899 -2.567 3.987 1.00 0.00 H new ATOM 0 HG LEU B 11 6.825 -2.354 4.733 1.00 0.00 H new ATOM 0 HD11 LEU B 11 7.026 -4.481 3.515 1.00 0.00 H new ATOM 0 HD12 LEU B 11 5.923 -4.607 4.906 1.00 0.00 H new ATOM 0 HD13 LEU B 11 5.266 -4.493 3.256 1.00 0.00 H new ATOM 0 HD21 LEU B 11 7.303 -2.318 2.323 1.00 0.00 H new ATOM 0 HD22 LEU B 11 5.560 -2.188 1.985 1.00 0.00 H new ATOM 0 HD23 LEU B 11 6.399 -0.878 2.850 1.00 0.00 H new ATOM 752 N LYS B 12 3.063 0.099 6.513 1.00 0.00 N ATOM 753 CA LYS B 12 1.816 0.516 7.131 1.00 0.00 C ATOM 754 C LYS B 12 1.534 1.975 6.765 1.00 0.00 C ATOM 755 O LYS B 12 0.360 2.313 6.553 1.00 0.00 O ATOM 756 CB LYS B 12 1.851 0.256 8.638 1.00 0.00 C ATOM 757 CG LYS B 12 1.340 -1.148 8.964 1.00 0.00 C ATOM 758 CD LYS B 12 -0.006 -1.087 9.688 1.00 0.00 C ATOM 759 CE LYS B 12 -0.088 -2.150 10.786 1.00 0.00 C ATOM 760 NZ LYS B 12 0.873 -1.856 11.862 1.00 0.00 N ATOM 0 H LYS B 12 3.858 0.069 7.152 1.00 0.00 H new ATOM 0 HA LYS B 12 0.985 -0.076 6.748 1.00 0.00 H new ATOM 0 HB2 LYS B 12 2.870 0.371 9.007 1.00 0.00 H new ATOM 0 HB3 LYS B 12 1.240 0.998 9.153 1.00 0.00 H new ATOM 0 HG2 LYS B 12 1.237 -1.724 8.044 1.00 0.00 H new ATOM 0 HG3 LYS B 12 2.068 -1.669 9.586 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -0.144 -0.098 10.124 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -0.815 -1.235 8.972 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -1.099 -2.184 11.193 1.00 0.00 H new ATOM 0 HE3 LYS B 12 0.119 -3.134 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 0.570 -2.330 12.737 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 1.815 -2.201 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 0.913 -0.829 12.021 1.00 0.00 H new ATOM 774 N LEU B 13 2.597 2.796 6.699 1.00 0.00 N ATOM 775 CA LEU B 13 2.464 4.203 6.363 1.00 0.00 C ATOM 776 C LEU B 13 2.083 4.336 4.887 1.00 0.00 C ATOM 777 O LEU B 13 1.198 5.148 4.577 1.00 0.00 O ATOM 778 CB LEU B 13 3.735 4.967 6.740 1.00 0.00 C ATOM 779 CG LEU B 13 3.619 6.493 6.760 1.00 0.00 C ATOM 780 CD1 LEU B 13 4.182 7.101 5.473 1.00 0.00 C ATOM 781 CD2 LEU B 13 2.177 6.930 7.016 1.00 0.00 C ATOM 0 H LEU B 13 3.556 2.497 6.877 1.00 0.00 H new ATOM 0 HA LEU B 13 1.662 4.659 6.943 1.00 0.00 H new ATOM 0 HB2 LEU B 13 4.056 4.634 7.727 1.00 0.00 H new ATOM 0 HB3 LEU B 13 4.522 4.691 6.039 1.00 0.00 H new ATOM 0 HG LEU B 13 4.221 6.871 7.586 1.00 0.00 H new ATOM 0 HD11 LEU B 13 4.088 8.186 5.512 1.00 0.00 H new ATOM 0 HD12 LEU B 13 5.233 6.831 5.373 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.626 6.719 4.617 1.00 0.00 H new ATOM 0 HD21 LEU B 13 2.123 8.019 7.025 1.00 0.00 H new ATOM 0 HD22 LEU B 13 1.533 6.541 6.227 1.00 0.00 H new ATOM 0 HD23 LEU B 13 1.845 6.542 7.979 1.00 0.00 H new ATOM 793 N ASP B 14 2.745 3.549 4.020 1.00 0.00 N ATOM 794 CA ASP B 14 2.477 3.579 2.593 1.00 0.00 C ATOM 795 C ASP B 14 1.037 3.126 2.338 1.00 0.00 C ATOM 796 O ASP B 14 0.410 3.652 1.408 1.00 0.00 O ATOM 797 CB ASP B 14 3.411 2.631 1.837 1.00 0.00 C ATOM 798 CG ASP B 14 3.898 3.147 0.481 1.00 0.00 C ATOM 799 OD1 ASP B 14 4.862 3.921 0.402 1.00 0.00 O ATOM 800 OD2 ASP B 14 3.232 2.716 -0.537 1.00 0.00 O ATOM 0 H ASP B 14 3.470 2.886 4.296 1.00 0.00 H new ATOM 0 HA ASP B 14 2.636 4.599 2.242 1.00 0.00 H new ATOM 0 HB2 ASP B 14 4.279 2.425 2.463 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.896 1.683 1.684 1.00 0.00 H new ATOM 805 N ASN B 15 0.551 2.177 3.158 1.00 0.00 N ATOM 806 CA ASN B 15 -0.801 1.662 3.023 1.00 0.00 C ATOM 807 C ASN B 15 -1.799 2.808 3.203 1.00 0.00 C ATOM 808 O ASN B 15 -2.695 2.948 2.357 1.00 0.00 O ATOM 809 CB ASN B 15 -1.097 0.605 4.089 1.00 0.00 C ATOM 810 CG ASN B 15 -2.030 -0.477 3.544 1.00 0.00 C ATOM 811 OD1 ASN B 15 -1.397 -1.510 2.993 1.00 0.00 O flip ATOM 812 ND2 ASN B 15 -3.244 -0.383 3.617 1.00 0.00 N flip ATOM 0 H ASN B 15 1.085 1.758 3.919 1.00 0.00 H new ATOM 0 HA ASN B 15 -0.893 1.212 2.034 1.00 0.00 H new ATOM 0 HB2 ASN B 15 -0.165 0.151 4.425 1.00 0.00 H new ATOM 0 HB3 ASN B 15 -1.552 1.078 4.959 1.00 0.00 H new ATOM 0 HD21 ASN B 15 -3.667 0.437 4.053 1.00 0.00 H new ATOM 0 HD22 ASN B 15 -3.836 -1.124 3.242 1.00 0.00 H new ATOM 819 N TYR B 16 -1.628 3.592 4.283 1.00 0.00 N ATOM 820 CA TYR B 16 -2.544 4.694 4.514 1.00 0.00 C ATOM 821 C TYR B 16 -2.554 5.609 3.287 1.00 0.00 C ATOM 822 O TYR B 16 -3.648 6.035 2.887 1.00 0.00 O ATOM 823 CB TYR B 16 -2.148 5.454 5.792 1.00 0.00 C ATOM 824 CG TYR B 16 -1.701 4.564 6.943 1.00 0.00 C ATOM 825 CD1 TYR B 16 -2.389 3.357 7.212 1.00 0.00 C ATOM 826 CD2 TYR B 16 -0.597 4.931 7.745 1.00 0.00 C ATOM 827 CE1 TYR B 16 -1.977 2.526 8.275 1.00 0.00 C ATOM 828 CE2 TYR B 16 -0.184 4.100 8.809 1.00 0.00 C ATOM 829 CZ TYR B 16 -0.874 2.897 9.075 1.00 0.00 C ATOM 830 OH TYR B 16 -0.479 2.091 10.105 1.00 0.00 O ATOM 0 H TYR B 16 -0.890 3.481 4.978 1.00 0.00 H new ATOM 0 HA TYR B 16 -3.554 4.313 4.663 1.00 0.00 H new ATOM 0 HB2 TYR B 16 -1.342 6.148 5.552 1.00 0.00 H new ATOM 0 HB3 TYR B 16 -2.997 6.053 6.121 1.00 0.00 H new ATOM 0 HD1 TYR B 16 -3.233 3.071 6.601 1.00 0.00 H new ATOM 0 HD2 TYR B 16 -0.067 5.850 7.543 1.00 0.00 H new ATOM 0 HE1 TYR B 16 -2.505 1.606 8.477 1.00 0.00 H new ATOM 0 HE2 TYR B 16 0.660 4.385 9.420 1.00 0.00 H new ATOM 0 HH TYR B 16 -1.256 1.612 10.462 1.00 0.00 H new ATOM 840 N HIS B 17 -1.364 5.896 2.731 1.00 0.00 N ATOM 841 CA HIS B 17 -1.245 6.762 1.569 1.00 0.00 C ATOM 842 C HIS B 17 -1.903 6.084 0.366 1.00 0.00 C ATOM 843 O HIS B 17 -2.601 6.776 -0.392 1.00 0.00 O ATOM 844 CB HIS B 17 0.215 7.138 1.313 1.00 0.00 C ATOM 845 CG HIS B 17 0.652 6.966 -0.122 1.00 0.00 C ATOM 846 ND1 HIS B 17 0.584 7.988 -1.054 1.00 0.00 N ATOM 847 CD2 HIS B 17 1.161 5.883 -0.775 1.00 0.00 C ATOM 848 CE1 HIS B 17 1.035 7.529 -2.211 1.00 0.00 C ATOM 849 NE2 HIS B 17 1.392 6.224 -2.037 1.00 0.00 N ATOM 0 H HIS B 17 -0.475 5.535 3.077 1.00 0.00 H new ATOM 0 HA HIS B 17 -1.769 7.700 1.752 1.00 0.00 H new ATOM 0 HB2 HIS B 17 0.369 8.176 1.607 1.00 0.00 H new ATOM 0 HB3 HIS B 17 0.854 6.528 1.952 1.00 0.00 H new ATOM 0 HD2 HIS B 17 1.345 4.912 -0.339 1.00 0.00 H new ATOM 0 HE1 HIS B 17 1.108 8.090 -3.131 1.00 0.00 H new ATOM 0 HE2 HIS B 17 1.774 5.611 -2.758 1.00 0.00 H new ATOM 857 N LEU B 18 -1.671 4.769 0.213 1.00 0.00 N ATOM 858 CA LEU B 18 -2.238 4.009 -0.889 1.00 0.00 C ATOM 859 C LEU B 18 -3.759 3.956 -0.738 1.00 0.00 C ATOM 860 O LEU B 18 -4.456 4.024 -1.761 1.00 0.00 O ATOM 861 CB LEU B 18 -1.580 2.630 -0.981 1.00 0.00 C ATOM 862 CG LEU B 18 -0.124 2.610 -1.450 1.00 0.00 C ATOM 863 CD1 LEU B 18 0.457 1.198 -1.375 1.00 0.00 C ATOM 864 CD2 LEU B 18 0.009 3.212 -2.851 1.00 0.00 C ATOM 0 H LEU B 18 -1.091 4.218 0.847 1.00 0.00 H new ATOM 0 HA LEU B 18 -2.030 4.501 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU B 18 -1.631 2.159 0.001 1.00 0.00 H new ATOM 0 HB3 LEU B 18 -2.168 2.014 -1.661 1.00 0.00 H new ATOM 0 HG LEU B 18 0.461 3.234 -0.775 1.00 0.00 H new ATOM 0 HD11 LEU B 18 1.493 1.212 -1.714 1.00 0.00 H new ATOM 0 HD12 LEU B 18 0.417 0.842 -0.345 1.00 0.00 H new ATOM 0 HD13 LEU B 18 -0.124 0.531 -2.012 1.00 0.00 H new ATOM 0 HD21 LEU B 18 1.054 3.186 -3.161 1.00 0.00 H new ATOM 0 HD22 LEU B 18 -0.592 2.635 -3.554 1.00 0.00 H new ATOM 0 HD23 LEU B 18 -0.340 4.245 -2.838 1.00 0.00 H new ATOM 876 N GLU B 19 -4.236 3.839 0.514 1.00 0.00 N ATOM 877 CA GLU B 19 -5.661 3.778 0.793 1.00 0.00 C ATOM 878 C GLU B 19 -6.296 5.134 0.477 1.00 0.00 C ATOM 879 O GLU B 19 -7.279 5.163 -0.277 1.00 0.00 O ATOM 880 CB GLU B 19 -5.934 3.368 2.241 1.00 0.00 C ATOM 881 CG GLU B 19 -7.235 2.571 2.350 1.00 0.00 C ATOM 882 CD GLU B 19 -7.107 1.450 3.383 1.00 0.00 C ATOM 883 OE1 GLU B 19 -6.748 1.712 4.541 1.00 0.00 O ATOM 884 OE2 GLU B 19 -7.395 0.271 2.948 1.00 0.00 O ATOM 0 H GLU B 19 -3.644 3.786 1.343 1.00 0.00 H new ATOM 0 HA GLU B 19 -6.109 3.014 0.158 1.00 0.00 H new ATOM 0 HB2 GLU B 19 -5.104 2.769 2.616 1.00 0.00 H new ATOM 0 HB3 GLU B 19 -5.994 4.257 2.869 1.00 0.00 H new ATOM 0 HG2 GLU B 19 -8.051 3.237 2.630 1.00 0.00 H new ATOM 0 HG3 GLU B 19 -7.489 2.147 1.378 1.00 0.00 H new ATOM 891 N ASN B 20 -5.732 6.211 1.051 1.00 0.00 N ATOM 892 CA ASN B 20 -6.239 7.555 0.833 1.00 0.00 C ATOM 893 C ASN B 20 -6.148 7.894 -0.656 1.00 0.00 C ATOM 894 O ASN B 20 -7.015 8.632 -1.147 1.00 0.00 O ATOM 895 CB ASN B 20 -5.415 8.587 1.604 1.00 0.00 C ATOM 896 CG ASN B 20 -5.200 8.146 3.054 1.00 0.00 C ATOM 897 OD1 ASN B 20 -5.968 7.383 3.618 1.00 0.00 O ATOM 898 ND2 ASN B 20 -4.118 8.666 3.623 1.00 0.00 N ATOM 0 H ASN B 20 -4.922 6.164 1.670 1.00 0.00 H new ATOM 0 HA ASN B 20 -7.272 7.586 1.181 1.00 0.00 H new ATOM 0 HB2 ASN B 20 -4.450 8.726 1.116 1.00 0.00 H new ATOM 0 HB3 ASN B 20 -5.923 9.551 1.585 1.00 0.00 H new ATOM 0 HD21 ASN B 20 -3.888 8.433 4.589 1.00 0.00 H new ATOM 0 HD22 ASN B 20 -3.518 9.298 3.094 1.00 0.00 H new ATOM 905 N GLU B 21 -5.118 7.357 -1.334 1.00 0.00 N ATOM 906 CA GLU B 21 -4.918 7.602 -2.753 1.00 0.00 C ATOM 907 C GLU B 21 -5.894 6.739 -3.556 1.00 0.00 C ATOM 908 O GLU B 21 -6.314 7.176 -4.638 1.00 0.00 O ATOM 909 CB GLU B 21 -3.473 7.329 -3.172 1.00 0.00 C ATOM 910 CG GLU B 21 -3.179 7.924 -4.550 1.00 0.00 C ATOM 911 CD GLU B 21 -1.854 7.400 -5.104 1.00 0.00 C ATOM 912 OE1 GLU B 21 -1.320 6.442 -4.424 1.00 0.00 O ATOM 913 OE2 GLU B 21 -1.371 7.896 -6.133 1.00 0.00 O ATOM 0 H GLU B 21 -4.416 6.750 -0.911 1.00 0.00 H new ATOM 0 HA GLU B 21 -5.114 8.654 -2.958 1.00 0.00 H new ATOM 0 HB2 GLU B 21 -2.791 7.754 -2.436 1.00 0.00 H new ATOM 0 HB3 GLU B 21 -3.293 6.254 -3.190 1.00 0.00 H new ATOM 0 HG2 GLU B 21 -3.988 7.675 -5.237 1.00 0.00 H new ATOM 0 HG3 GLU B 21 -3.143 9.011 -4.480 1.00 0.00 H new ATOM 920 N VAL B 22 -6.231 5.552 -3.021 1.00 0.00 N ATOM 921 CA VAL B 22 -7.147 4.641 -3.683 1.00 0.00 C ATOM 922 C VAL B 22 -8.584 5.111 -3.451 1.00 0.00 C ATOM 923 O VAL B 22 -9.401 4.989 -4.376 1.00 0.00 O ATOM 924 CB VAL B 22 -6.902 3.209 -3.201 1.00 0.00 C ATOM 925 CG1 VAL B 22 -8.195 2.393 -3.227 1.00 0.00 C ATOM 926 CG2 VAL B 22 -5.810 2.531 -4.031 1.00 0.00 C ATOM 0 H VAL B 22 -5.875 5.211 -2.128 1.00 0.00 H new ATOM 0 HA VAL B 22 -6.974 4.642 -4.759 1.00 0.00 H new ATOM 0 HB VAL B 22 -6.557 3.258 -2.168 1.00 0.00 H new ATOM 0 HG11 VAL B 22 -7.993 1.380 -2.880 1.00 0.00 H new ATOM 0 HG12 VAL B 22 -8.933 2.860 -2.574 1.00 0.00 H new ATOM 0 HG13 VAL B 22 -8.582 2.357 -4.245 1.00 0.00 H new ATOM 0 HG21 VAL B 22 -5.655 1.515 -3.668 1.00 0.00 H new ATOM 0 HG22 VAL B 22 -6.114 2.500 -5.077 1.00 0.00 H new ATOM 0 HG23 VAL B 22 -4.881 3.094 -3.940 1.00 0.00 H new ATOM 936 N ALA B 23 -8.860 5.631 -2.241 1.00 0.00 N ATOM 937 CA ALA B 23 -10.185 6.114 -1.894 1.00 0.00 C ATOM 938 C ALA B 23 -10.479 7.394 -2.679 1.00 0.00 C ATOM 939 O ALA B 23 -11.661 7.734 -2.834 1.00 0.00 O ATOM 940 CB ALA B 23 -10.221 6.500 -0.415 1.00 0.00 C ATOM 0 H ALA B 23 -8.172 5.722 -1.493 1.00 0.00 H new ATOM 0 HA ALA B 23 -10.908 5.329 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA B 23 -11.216 6.862 -0.158 1.00 0.00 H new ATOM 0 HB2 ALA B 23 -9.983 5.628 0.194 1.00 0.00 H new ATOM 0 HB3 ALA B 23 -9.489 7.285 -0.226 1.00 0.00 H new ATOM 946 N ARG B 24 -9.414 8.067 -3.153 1.00 0.00 N ATOM 947 CA ARG B 24 -9.556 9.297 -3.913 1.00 0.00 C ATOM 948 C ARG B 24 -9.659 8.962 -5.402 1.00 0.00 C ATOM 949 O ARG B 24 -10.324 9.712 -6.132 1.00 0.00 O ATOM 950 CB ARG B 24 -8.372 10.239 -3.689 1.00 0.00 C ATOM 951 CG ARG B 24 -8.639 11.188 -2.519 1.00 0.00 C ATOM 952 CD ARG B 24 -7.373 11.957 -2.137 1.00 0.00 C ATOM 953 NE ARG B 24 -7.729 13.163 -1.357 1.00 0.00 N ATOM 954 CZ ARG B 24 -7.766 13.209 -0.008 1.00 0.00 C ATOM 955 NH1 ARG B 24 -7.464 12.104 0.687 1.00 0.00 N ATOM 956 NH2 ARG B 24 -8.098 14.341 0.625 1.00 0.00 N ATOM 0 H ARG B 24 -8.448 7.769 -3.016 1.00 0.00 H new ATOM 0 HA ARG B 24 -10.460 9.802 -3.572 1.00 0.00 H new ATOM 0 HB2 ARG B 24 -7.472 9.657 -3.491 1.00 0.00 H new ATOM 0 HB3 ARG B 24 -8.186 10.816 -4.595 1.00 0.00 H new ATOM 0 HG2 ARG B 24 -9.428 11.890 -2.788 1.00 0.00 H new ATOM 0 HG3 ARG B 24 -8.997 10.620 -1.660 1.00 0.00 H new ATOM 0 HD2 ARG B 24 -6.712 11.318 -1.552 1.00 0.00 H new ATOM 0 HD3 ARG B 24 -6.826 12.243 -3.036 1.00 0.00 H new ATOM 0 HE ARG B 24 -7.961 14.013 -1.871 1.00 0.00 H new ATOM 0 HH11 ARG B 24 -7.211 11.246 0.196 1.00 0.00 H new ATOM 0 HH12 ARG B 24 -7.487 12.121 1.707 1.00 0.00 H new ATOM 0 HH21 ARG B 24 -8.326 15.178 0.088 1.00 0.00 H new ATOM 0 HH22 ARG B 24 -8.123 14.367 1.644 1.00 0.00 H new ATOM 970 N LEU B 25 -9.009 7.860 -5.818 1.00 0.00 N ATOM 971 CA LEU B 25 -9.027 7.432 -7.206 1.00 0.00 C ATOM 972 C LEU B 25 -10.313 6.650 -7.477 1.00 0.00 C ATOM 973 O LEU B 25 -10.883 6.811 -8.567 1.00 0.00 O ATOM 974 CB LEU B 25 -7.752 6.657 -7.544 1.00 0.00 C ATOM 975 CG LEU B 25 -6.482 7.493 -7.710 1.00 0.00 C ATOM 976 CD1 LEU B 25 -5.251 6.598 -7.863 1.00 0.00 C ATOM 977 CD2 LEU B 25 -6.622 8.478 -8.874 1.00 0.00 C ATOM 0 H LEU B 25 -8.466 7.256 -5.201 1.00 0.00 H new ATOM 0 HA LEU B 25 -9.033 8.295 -7.871 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -7.579 5.922 -6.758 1.00 0.00 H new ATOM 0 HB3 LEU B 25 -7.922 6.103 -8.467 1.00 0.00 H new ATOM 0 HG LEU B 25 -6.341 8.082 -6.804 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -4.362 7.218 -7.979 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -5.143 5.973 -6.977 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -5.369 5.964 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU B 25 -5.705 9.060 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU B 25 -6.801 7.927 -9.797 1.00 0.00 H new ATOM 0 HD23 LEU B 25 -7.460 9.149 -8.684 1.00 0.00 H new ATOM 989 N LYS B 26 -10.737 5.830 -6.499 1.00 0.00 N ATOM 990 CA LYS B 26 -11.944 5.032 -6.632 1.00 0.00 C ATOM 991 C LYS B 26 -13.139 5.958 -6.865 1.00 0.00 C ATOM 992 O LYS B 26 -14.155 5.487 -7.400 1.00 0.00 O ATOM 993 CB LYS B 26 -12.110 4.106 -5.425 1.00 0.00 C ATOM 994 CG LYS B 26 -11.154 2.915 -5.513 1.00 0.00 C ATOM 995 CD LYS B 26 -11.850 1.696 -6.124 1.00 0.00 C ATOM 996 CE LYS B 26 -11.377 1.459 -7.560 1.00 0.00 C ATOM 997 NZ LYS B 26 -11.407 0.023 -7.882 1.00 0.00 N ATOM 0 H LYS B 26 -10.252 5.710 -5.610 1.00 0.00 H new ATOM 0 HA LYS B 26 -11.874 4.377 -7.500 1.00 0.00 H new ATOM 0 HB2 LYS B 26 -11.921 4.662 -4.507 1.00 0.00 H new ATOM 0 HB3 LYS B 26 -13.139 3.749 -5.375 1.00 0.00 H new ATOM 0 HG2 LYS B 26 -10.287 3.184 -6.117 1.00 0.00 H new ATOM 0 HG3 LYS B 26 -10.785 2.666 -4.518 1.00 0.00 H new ATOM 0 HD2 LYS B 26 -11.644 0.813 -5.519 1.00 0.00 H new ATOM 0 HD3 LYS B 26 -12.930 1.845 -6.113 1.00 0.00 H new ATOM 0 HE2 LYS B 26 -12.014 2.007 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS B 26 -10.365 1.845 -7.684 1.00 0.00 H new ATOM 0 HZ1 LYS B 26 -10.435 -0.345 -7.917 1.00 0.00 H new ATOM 0 HZ2 LYS B 26 -11.944 -0.486 -7.151 1.00 0.00 H new ATOM 0 HZ3 LYS B 26 -11.863 -0.116 -8.806 1.00 0.00 H new ATOM 1011 N LYS B 27 -13.000 7.234 -6.466 1.00 0.00 N ATOM 1012 CA LYS B 27 -14.061 8.213 -6.631 1.00 0.00 C ATOM 1013 C LYS B 27 -14.085 8.694 -8.083 1.00 0.00 C ATOM 1014 O LYS B 27 -15.036 9.395 -8.456 1.00 0.00 O ATOM 1015 CB LYS B 27 -13.910 9.343 -5.611 1.00 0.00 C ATOM 1016 CG LYS B 27 -15.263 9.715 -5.000 1.00 0.00 C ATOM 1017 CD LYS B 27 -15.101 10.187 -3.554 1.00 0.00 C ATOM 1018 CE LYS B 27 -14.441 9.105 -2.695 1.00 0.00 C ATOM 1019 NZ LYS B 27 -14.844 7.766 -3.154 1.00 0.00 N ATOM 0 H LYS B 27 -12.156 7.602 -6.027 1.00 0.00 H new ATOM 0 HA LYS B 27 -15.032 7.760 -6.429 1.00 0.00 H new ATOM 0 HB2 LYS B 27 -13.223 9.036 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS B 27 -13.472 10.217 -6.093 1.00 0.00 H new ATOM 0 HG2 LYS B 27 -15.730 10.502 -5.593 1.00 0.00 H new ATOM 0 HG3 LYS B 27 -15.930 8.853 -5.032 1.00 0.00 H new ATOM 0 HD2 LYS B 27 -14.498 11.094 -3.529 1.00 0.00 H new ATOM 0 HD3 LYS B 27 -16.076 10.441 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS B 27 -13.357 9.203 -2.747 1.00 0.00 H new ATOM 0 HE3 LYS B 27 -14.724 9.238 -1.651 1.00 0.00 H new ATOM 0 HZ1 LYS B 27 -14.730 7.084 -2.377 1.00 0.00 H new ATOM 0 HZ2 LYS B 27 -15.840 7.787 -3.454 1.00 0.00 H new ATOM 0 HZ3 LYS B 27 -14.247 7.480 -3.956 1.00 0.00 H new ATOM 1033 N LEU B 28 -13.054 8.314 -8.860 1.00 0.00 N ATOM 1034 CA LEU B 28 -12.958 8.704 -10.257 1.00 0.00 C ATOM 1035 C LEU B 28 -13.133 7.467 -11.140 1.00 0.00 C ATOM 1036 O LEU B 28 -13.741 7.591 -12.214 1.00 0.00 O ATOM 1037 CB LEU B 28 -11.655 9.464 -10.512 1.00 0.00 C ATOM 1038 CG LEU B 28 -11.781 10.762 -11.312 1.00 0.00 C ATOM 1039 CD1 LEU B 28 -11.908 11.969 -10.380 1.00 0.00 C ATOM 1040 CD2 LEU B 28 -10.619 10.916 -12.294 1.00 0.00 C ATOM 0 H LEU B 28 -12.280 7.736 -8.532 1.00 0.00 H new ATOM 0 HA LEU B 28 -13.759 9.396 -10.516 1.00 0.00 H new ATOM 0 HB2 LEU B 28 -11.199 9.696 -9.550 1.00 0.00 H new ATOM 0 HB3 LEU B 28 -10.968 8.801 -11.038 1.00 0.00 H new ATOM 0 HG LEU B 28 -12.696 10.712 -11.902 1.00 0.00 H new ATOM 0 HD11 LEU B 28 -11.996 12.879 -10.973 1.00 0.00 H new ATOM 0 HD12 LEU B 28 -12.795 11.855 -9.756 1.00 0.00 H new ATOM 0 HD13 LEU B 28 -11.024 12.034 -9.746 1.00 0.00 H new ATOM 0 HD21 LEU B 28 -10.733 11.847 -12.850 1.00 0.00 H new ATOM 0 HD22 LEU B 28 -9.678 10.935 -11.744 1.00 0.00 H new ATOM 0 HD23 LEU B 28 -10.616 10.076 -12.989 1.00 0.00 H new ATOM 1052 N VAL B 29 -12.605 6.319 -10.680 1.00 0.00 N ATOM 1053 CA VAL B 29 -12.703 5.075 -11.422 1.00 0.00 C ATOM 1054 C VAL B 29 -13.666 4.130 -10.703 1.00 0.00 C ATOM 1055 O VAL B 29 -14.665 3.724 -11.317 1.00 0.00 O ATOM 1056 CB VAL B 29 -11.311 4.472 -11.619 1.00 0.00 C ATOM 1057 CG1 VAL B 29 -11.337 3.360 -12.668 1.00 0.00 C ATOM 1058 CG2 VAL B 29 -10.292 5.553 -11.991 1.00 0.00 C ATOM 0 H VAL B 29 -12.107 6.240 -9.794 1.00 0.00 H new ATOM 0 HA VAL B 29 -13.109 5.256 -12.417 1.00 0.00 H new ATOM 0 HB VAL B 29 -11.001 4.031 -10.672 1.00 0.00 H new ATOM 0 HG11 VAL B 29 -10.334 2.949 -12.788 1.00 0.00 H new ATOM 0 HG12 VAL B 29 -12.016 2.571 -12.345 1.00 0.00 H new ATOM 0 HG13 VAL B 29 -11.679 3.766 -13.620 1.00 0.00 H new ATOM 0 HG21 VAL B 29 -9.311 5.097 -12.125 1.00 0.00 H new ATOM 0 HG22 VAL B 29 -10.597 6.037 -12.919 1.00 0.00 H new ATOM 0 HG23 VAL B 29 -10.241 6.295 -11.194 1.00 0.00 H new ATOM 1068 N GLY B 30 -13.356 3.802 -9.436 1.00 0.00 N ATOM 1069 CA GLY B 30 -14.189 2.914 -8.643 1.00 0.00 C ATOM 1070 C GLY B 30 -15.615 3.466 -8.596 1.00 0.00 C ATOM 1071 O GLY B 30 -16.493 2.788 -8.043 1.00 0.00 O ATOM 0 H GLY B 30 -12.529 4.146 -8.948 1.00 0.00 H new ATOM 0 HA2 GLY B 30 -14.188 1.913 -9.075 1.00 0.00 H new ATOM 0 HA3 GLY B 30 -13.788 2.825 -7.633 1.00 0.00 H new