USER MOD reduce.3.24.130724 H: found=0, std=0, add=519, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 476 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 47 HIS : no HD1:sc= -0.0708 X(o=-0.035,f=-0.046) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.0356 X(o=-0.035,f=-0.3) USER MOD Set 2.1: A 54 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 58 MET CE :methyl -174:sc= 0 (180deg=-0.0152) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -2.82 K(o=-7.3,f=-8.4!) USER MOD Set 3.2: A 55 HIS : no HD1:sc= -4.48! C(o=-7.3!,f=-7.2!) USER MOD Set 4.1: A 17 HIS : no HE2:sc= 0 X(o=0,f=0) USER MOD Set 4.2: A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.23! C(o=-1.2!,f=-1.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -5.55! C(o=-5.5!,f=-11!) USER MOD Single : A 22 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0622) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -121:sc= -1.24 (180deg=-3.53!) USER MOD Single : A 30 CYS SG : rot 180:sc= 0.0535 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc=-0.000311 (180deg=-0.0976) USER MOD Single : A 37 LYS NZ :NH3+ 156:sc= -0.066 (180deg=-0.382) USER MOD Single : A 43 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.00118) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 158:sc= -0.0143 (180deg=-0.174) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot 180:sc= 0.121 USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 11 N ASP A 2 1.736 2.244 -1.882 1.00 1.00 N ATOM 12 CA ASP A 2 1.207 3.473 -2.447 1.00 1.00 C ATOM 13 C ASP A 2 -0.293 3.559 -2.156 1.00 1.00 C ATOM 14 O ASP A 2 -0.764 4.541 -1.586 1.00 1.00 O ATOM 15 CB ASP A 2 1.397 3.508 -3.965 1.00 1.00 C ATOM 16 CG ASP A 2 0.288 4.225 -4.738 1.00 1.00 C ATOM 17 OD1 ASP A 2 -0.753 3.632 -5.059 1.00 1.00 O ATOM 18 OD2 ASP A 2 0.529 5.461 -5.018 1.00 1.00 O ATOM 0 HA ASP A 2 1.743 4.309 -1.997 1.00 1.00 H new ATOM 0 HB2 ASP A 2 2.347 3.995 -4.186 1.00 1.00 H new ATOM 0 HB3 ASP A 2 1.471 2.484 -4.331 1.00 1.00 H new ATOM 24 N ASP A 3 -1.002 2.515 -2.561 1.00 1.00 N ATOM 25 CA ASP A 3 -2.439 2.460 -2.351 1.00 1.00 C ATOM 26 C ASP A 3 -2.736 1.631 -1.100 1.00 1.00 C ATOM 27 O ASP A 3 -2.194 0.538 -0.931 1.00 1.00 O ATOM 28 CB ASP A 3 -3.143 1.795 -3.536 1.00 1.00 C ATOM 29 CG ASP A 3 -4.567 2.287 -3.800 1.00 1.00 C ATOM 30 OD1 ASP A 3 -4.833 2.964 -4.805 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.437 1.945 -2.910 1.00 1.00 O ATOM 0 H ASP A 3 -0.608 1.701 -3.033 1.00 1.00 H new ATOM 0 HA ASP A 3 -2.803 3.481 -2.241 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -2.546 1.959 -4.433 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -3.172 0.719 -3.365 1.00 1.00 H new ATOM 37 N ILE A 4 -3.594 2.181 -0.254 1.00 1.00 N ATOM 38 CA ILE A 4 -3.969 1.506 0.977 1.00 1.00 C ATOM 39 C ILE A 4 -5.466 1.189 0.944 1.00 1.00 C ATOM 40 O ILE A 4 -6.297 2.096 0.979 1.00 1.00 O ATOM 41 CB ILE A 4 -3.542 2.332 2.193 1.00 1.00 C ATOM 42 CG1 ILE A 4 -2.024 2.527 2.217 1.00 1.00 C ATOM 43 CG2 ILE A 4 -4.061 1.708 3.489 1.00 1.00 C ATOM 44 CD1 ILE A 4 -1.524 2.758 3.644 1.00 1.00 C ATOM 0 H ILE A 4 -4.041 3.087 -0.397 1.00 1.00 H new ATOM 0 HA ILE A 4 -3.443 0.555 1.066 1.00 1.00 H new ATOM 0 HB ILE A 4 -3.992 3.321 2.110 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -1.534 1.650 1.794 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -1.753 3.377 1.591 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -3.744 2.314 4.337 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -5.150 1.664 3.461 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -3.660 0.700 3.593 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -0.443 2.894 3.633 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -1.997 3.649 4.056 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -1.775 1.896 4.262 1.00 1.00 H new ATOM 51 N VAL A 5 -5.764 -0.100 0.878 1.00 1.00 N ATOM 52 CA VAL A 5 -7.145 -0.547 0.839 1.00 1.00 C ATOM 53 C VAL A 5 -7.678 -0.665 2.269 1.00 1.00 C ATOM 54 O VAL A 5 -7.118 -1.394 3.086 1.00 1.00 O ATOM 55 CB VAL A 5 -7.250 -1.856 0.053 1.00 1.00 C ATOM 56 CG1 VAL A 5 -8.639 -2.478 0.205 1.00 1.00 C ATOM 57 CG2 VAL A 5 -6.906 -1.638 -1.422 1.00 1.00 C ATOM 0 H VAL A 5 -5.072 -0.849 0.851 1.00 1.00 H new ATOM 0 HA VAL A 5 -7.767 0.180 0.318 1.00 1.00 H new ATOM 0 HB VAL A 5 -6.523 -2.555 0.468 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -8.686 -3.407 -0.364 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -8.831 -2.687 1.257 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -9.391 -1.784 -0.170 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -6.988 -2.583 -1.958 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -7.598 -0.915 -1.854 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -5.887 -1.261 -1.506 1.00 1.00 H new ATOM 63 N LEU A 6 -8.754 0.064 2.527 1.00 1.00 N ATOM 64 CA LEU A 6 -9.368 0.050 3.844 1.00 1.00 C ATOM 65 C LEU A 6 -10.564 -0.904 3.834 1.00 1.00 C ATOM 66 O LEU A 6 -11.706 -0.473 3.680 1.00 1.00 O ATOM 67 CB LEU A 6 -9.720 1.472 4.285 1.00 1.00 C ATOM 68 CG LEU A 6 -8.568 2.477 4.290 1.00 1.00 C ATOM 69 CD1 LEU A 6 -9.093 3.915 4.273 1.00 1.00 C ATOM 70 CD2 LEU A 6 -7.624 2.226 5.468 1.00 1.00 C ATOM 0 H LEU A 6 -9.216 0.668 1.847 1.00 1.00 H new ATOM 0 HA LEU A 6 -8.666 -0.326 4.588 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -10.504 1.851 3.629 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -10.140 1.426 5.290 1.00 1.00 H new ATOM 0 HG LEU A 6 -7.989 2.335 3.378 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -8.253 4.609 4.277 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -9.690 4.074 3.375 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -9.710 4.087 5.155 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.814 2.955 5.447 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -8.175 2.323 6.403 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.209 1.221 5.394 1.00 1.00 H new ATOM 78 N LYS A 7 -10.261 -2.184 4.000 1.00 1.00 N ATOM 79 CA LYS A 7 -11.297 -3.203 4.011 1.00 1.00 C ATOM 80 C LYS A 7 -12.554 -2.639 4.678 1.00 1.00 C ATOM 81 O LYS A 7 -12.553 -2.360 5.875 1.00 1.00 O ATOM 82 CB LYS A 7 -10.778 -4.486 4.664 1.00 1.00 C ATOM 83 CG LYS A 7 -10.093 -5.387 3.634 1.00 1.00 C ATOM 84 CD LYS A 7 -10.614 -6.823 3.729 1.00 1.00 C ATOM 85 CE LYS A 7 -10.176 -7.645 2.516 1.00 1.00 C ATOM 86 NZ LYS A 7 -10.687 -9.031 2.618 1.00 1.00 N ATOM 0 H LYS A 7 -9.313 -2.538 4.128 1.00 1.00 H new ATOM 0 HA LYS A 7 -11.572 -3.478 2.993 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -10.075 -4.235 5.458 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -11.605 -5.022 5.129 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -10.269 -4.998 2.631 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -9.015 -5.376 3.796 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -10.243 -7.289 4.642 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -11.702 -6.816 3.794 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.546 -7.181 1.602 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -9.088 -7.656 2.450 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.381 -9.576 1.787 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -10.313 -9.476 3.481 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.726 -9.016 2.658 1.00 1.00 H new ATOM 99 N ALA A 8 -13.594 -2.487 3.872 1.00 1.00 N ATOM 100 CA ALA A 8 -14.855 -1.962 4.369 1.00 1.00 C ATOM 101 C ALA A 8 -15.938 -3.032 4.228 1.00 1.00 C ATOM 102 O ALA A 8 -15.765 -4.006 3.497 1.00 1.00 O ATOM 103 CB ALA A 8 -15.204 -0.677 3.615 1.00 1.00 C ATOM 0 H ALA A 8 -13.590 -2.718 2.879 1.00 1.00 H new ATOM 0 HA ALA A 8 -14.776 -1.710 5.426 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -16.150 -0.282 3.987 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -14.417 0.061 3.770 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -15.295 -0.893 2.550 1.00 1.00 H new ATOM 109 N LYS A 9 -17.034 -2.817 4.943 1.00 1.00 N ATOM 110 CA LYS A 9 -18.146 -3.751 4.907 1.00 1.00 C ATOM 111 C LYS A 9 -19.116 -3.342 3.796 1.00 1.00 C ATOM 112 O LYS A 9 -19.886 -4.164 3.306 1.00 1.00 O ATOM 113 CB LYS A 9 -18.801 -3.856 6.287 1.00 1.00 C ATOM 114 CG LYS A 9 -19.494 -5.209 6.462 1.00 1.00 C ATOM 115 CD LYS A 9 -20.333 -5.233 7.741 1.00 1.00 C ATOM 116 CE LYS A 9 -19.792 -6.265 8.733 1.00 1.00 C ATOM 117 NZ LYS A 9 -20.778 -6.519 9.806 1.00 1.00 N ATOM 0 H LYS A 9 -17.175 -2.010 5.550 1.00 1.00 H new ATOM 0 HA LYS A 9 -17.793 -4.754 4.668 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -18.046 -3.727 7.063 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -19.527 -3.052 6.411 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -20.131 -5.409 5.601 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -18.747 -6.002 6.497 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -20.330 -4.245 8.201 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -21.369 -5.467 7.496 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -19.565 -7.195 8.212 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -18.858 -5.907 9.166 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -20.395 -7.222 10.470 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -20.974 -5.633 10.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -21.659 -6.881 9.389 1.00 1.00 H new ATOM 130 N ASN A 10 -19.045 -2.069 3.432 1.00 1.00 N ATOM 131 CA ASN A 10 -19.906 -1.541 2.388 1.00 1.00 C ATOM 132 C ASN A 10 -19.049 -0.846 1.328 1.00 1.00 C ATOM 133 O ASN A 10 -19.118 0.372 1.170 1.00 1.00 O ATOM 134 CB ASN A 10 -20.887 -0.511 2.953 1.00 1.00 C ATOM 135 CG ASN A 10 -21.550 0.287 1.828 1.00 1.00 C ATOM 136 OD1 ASN A 10 -22.156 -0.255 0.921 1.00 1.00 O ATOM 137 ND2 ASN A 10 -21.400 1.604 1.940 1.00 1.00 N ATOM 0 H ASN A 10 -18.405 -1.389 3.842 1.00 1.00 H new ATOM 0 HA ASN A 10 -20.464 -2.373 1.958 1.00 1.00 H new ATOM 0 HB2 ASN A 10 -21.650 -1.016 3.544 1.00 1.00 H new ATOM 0 HB3 ASN A 10 -20.361 0.168 3.624 1.00 1.00 H new ATOM 0 HD21 ASN A 10 -21.805 2.225 1.240 1.00 1.00 H new ATOM 0 HD22 ASN A 10 -20.880 1.993 2.726 1.00 1.00 H new ATOM 143 N GLY A 11 -18.261 -1.651 0.630 1.00 1.00 N ATOM 144 CA GLY A 11 -17.391 -1.129 -0.410 1.00 1.00 C ATOM 145 C GLY A 11 -16.036 -0.711 0.167 1.00 1.00 C ATOM 146 O GLY A 11 -15.974 -0.084 1.222 1.00 1.00 O ATOM 0 H GLY A 11 -18.207 -2.661 0.764 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -17.244 -1.886 -1.180 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -17.865 -0.273 -0.890 1.00 1.00 H new ATOM 150 N ASP A 12 -14.985 -1.077 -0.553 1.00 1.00 N ATOM 151 CA ASP A 12 -13.636 -0.749 -0.127 1.00 1.00 C ATOM 152 C ASP A 12 -13.340 0.713 -0.468 1.00 1.00 C ATOM 153 O ASP A 12 -14.109 1.357 -1.179 1.00 1.00 O ATOM 154 CB ASP A 12 -12.604 -1.620 -0.845 1.00 1.00 C ATOM 155 CG ASP A 12 -13.094 -3.016 -1.233 1.00 1.00 C ATOM 156 OD1 ASP A 12 -13.007 -3.967 -0.441 1.00 1.00 O ATOM 157 OD2 ASP A 12 -13.590 -3.110 -2.421 1.00 1.00 O ATOM 0 H ASP A 12 -15.041 -1.597 -1.428 1.00 1.00 H new ATOM 0 HA ASP A 12 -13.570 -0.923 0.947 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -12.278 -1.102 -1.747 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -11.729 -1.724 -0.203 1.00 1.00 H new ATOM 163 N VAL A 13 -12.222 1.194 0.056 1.00 1.00 N ATOM 164 CA VAL A 13 -11.814 2.568 -0.184 1.00 1.00 C ATOM 165 C VAL A 13 -10.382 2.584 -0.724 1.00 1.00 C ATOM 166 O VAL A 13 -9.434 2.329 0.017 1.00 1.00 O ATOM 167 CB VAL A 13 -11.980 3.394 1.093 1.00 1.00 C ATOM 168 CG1 VAL A 13 -11.456 4.818 0.897 1.00 1.00 C ATOM 169 CG2 VAL A 13 -13.440 3.405 1.552 1.00 1.00 C ATOM 0 H VAL A 13 -11.586 0.657 0.646 1.00 1.00 H new ATOM 0 HA VAL A 13 -12.451 3.029 -0.939 1.00 1.00 H new ATOM 0 HB VAL A 13 -11.386 2.924 1.876 1.00 1.00 H new ATOM 0 HG11 VAL A 13 -11.586 5.384 1.820 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -10.398 4.784 0.638 1.00 1.00 H new ATOM 0 HG13 VAL A 13 -12.011 5.302 0.093 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -13.531 3.999 2.462 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -14.064 3.840 0.771 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -13.767 2.384 1.751 1.00 1.00 H new ATOM 175 N LYS A 14 -10.271 2.887 -2.008 1.00 1.00 N ATOM 176 CA LYS A 14 -8.971 2.939 -2.656 1.00 1.00 C ATOM 177 C LYS A 14 -8.303 4.279 -2.341 1.00 1.00 C ATOM 178 O LYS A 14 -8.456 5.244 -3.088 1.00 1.00 O ATOM 179 CB LYS A 14 -9.107 2.657 -4.154 1.00 1.00 C ATOM 180 CG LYS A 14 -7.766 2.836 -4.869 1.00 1.00 C ATOM 181 CD LYS A 14 -7.975 3.225 -6.334 1.00 1.00 C ATOM 182 CE LYS A 14 -7.641 2.056 -7.263 1.00 1.00 C ATOM 183 NZ LYS A 14 -7.599 2.509 -8.672 1.00 1.00 N ATOM 0 H LYS A 14 -11.060 3.099 -2.618 1.00 1.00 H new ATOM 0 HA LYS A 14 -8.319 2.157 -2.266 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -9.471 1.641 -4.305 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -9.847 3.329 -4.588 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -7.180 3.605 -4.365 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -7.193 1.910 -4.813 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -9.009 3.533 -6.488 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -7.347 4.081 -6.580 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -6.679 1.626 -6.984 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -8.387 1.269 -7.150 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -7.371 1.703 -9.289 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -8.526 2.898 -8.939 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -6.871 3.244 -8.779 1.00 1.00 H new ATOM 196 N PHE A 15 -7.576 4.295 -1.233 1.00 1.00 N ATOM 197 CA PHE A 15 -6.884 5.500 -0.810 1.00 1.00 C ATOM 198 C PHE A 15 -5.392 5.422 -1.143 1.00 1.00 C ATOM 199 O PHE A 15 -4.666 4.544 -0.682 1.00 1.00 O ATOM 200 CB PHE A 15 -7.050 5.602 0.708 1.00 1.00 C ATOM 201 CG PHE A 15 -6.417 6.853 1.321 1.00 1.00 C ATOM 202 CD1 PHE A 15 -6.841 8.087 0.938 1.00 1.00 C ATOM 203 CD2 PHE A 15 -5.430 6.731 2.248 1.00 1.00 C ATOM 204 CE1 PHE A 15 -6.254 9.247 1.506 1.00 1.00 C ATOM 205 CE2 PHE A 15 -4.842 7.891 2.817 1.00 1.00 C ATOM 206 CZ PHE A 15 -5.267 9.125 2.435 1.00 1.00 C ATOM 0 H PHE A 15 -7.451 3.493 -0.616 1.00 1.00 H new ATOM 0 HA PHE A 15 -7.299 6.367 -1.324 1.00 1.00 H new ATOM 0 HB2 PHE A 15 -8.113 5.590 0.948 1.00 1.00 H new ATOM 0 HB3 PHE A 15 -6.609 4.720 1.171 1.00 1.00 H new ATOM 0 HD1 PHE A 15 -7.625 8.184 0.201 1.00 1.00 H new ATOM 0 HD2 PHE A 15 -5.093 5.751 2.552 1.00 1.00 H new ATOM 0 HE1 PHE A 15 -6.590 10.227 1.201 1.00 1.00 H new ATOM 0 HE2 PHE A 15 -4.058 7.794 3.553 1.00 1.00 H new ATOM 0 HZ PHE A 15 -4.821 10.008 2.869 1.00 1.00 H new ATOM 216 N PRO A 16 -4.948 6.374 -1.967 1.00 1.00 N ATOM 217 CA PRO A 16 -3.575 6.491 -2.413 1.00 1.00 C ATOM 218 C PRO A 16 -2.769 7.265 -1.380 1.00 1.00 C ATOM 219 O PRO A 16 -2.805 8.492 -1.388 1.00 1.00 O ATOM 220 CB PRO A 16 -3.657 7.258 -3.732 1.00 1.00 C ATOM 221 CG PRO A 16 -4.858 8.174 -3.488 1.00 1.00 C ATOM 222 CD PRO A 16 -5.775 7.419 -2.528 1.00 1.00 C ATOM 0 HA PRO A 16 -3.085 5.526 -2.541 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -2.747 7.823 -3.934 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -3.815 6.594 -4.582 1.00 1.00 H new ATOM 0 HG2 PRO A 16 -4.542 9.125 -3.059 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -5.372 8.400 -4.422 1.00 1.00 H new ATOM 0 HD2 PRO A 16 -6.161 8.078 -1.750 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -6.637 7.003 -3.050 1.00 1.00 H new ATOM 230 N HIS A 17 -2.059 6.542 -0.513 1.00 1.00 N ATOM 231 CA HIS A 17 -1.238 7.142 0.533 1.00 1.00 C ATOM 232 C HIS A 17 -0.082 7.934 -0.103 1.00 1.00 C ATOM 233 O HIS A 17 0.064 9.128 0.153 1.00 1.00 O ATOM 234 CB HIS A 17 -0.790 6.041 1.506 1.00 1.00 C ATOM 235 CG HIS A 17 -0.156 6.495 2.800 1.00 1.00 C ATOM 236 ND1 HIS A 17 1.164 6.464 3.004 1.00 1.00 N ATOM 237 CD2 HIS A 17 -0.710 6.994 3.955 1.00 1.00 C ATOM 238 CE1 HIS A 17 1.424 6.926 4.237 1.00 1.00 C ATOM 239 NE2 HIS A 17 0.301 7.267 4.868 1.00 1.00 N ATOM 0 H HIS A 17 -2.039 5.522 -0.518 1.00 1.00 H new ATOM 0 HA HIS A 17 -1.804 7.866 1.119 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -1.658 5.428 1.749 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -0.080 5.397 0.987 1.00 1.00 H new ATOM 0 HD1 HIS A 17 1.861 6.142 2.332 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -1.765 7.149 4.126 1.00 1.00 H new ATOM 0 HE1 HIS A 17 2.413 7.010 4.662 1.00 1.00 H new ATOM 247 N LYS A 18 0.703 7.239 -0.913 1.00 1.00 N ATOM 248 CA LYS A 18 1.832 7.866 -1.581 1.00 1.00 C ATOM 249 C LYS A 18 1.379 9.184 -2.212 1.00 1.00 C ATOM 250 O LYS A 18 2.152 10.137 -2.289 1.00 1.00 O ATOM 251 CB LYS A 18 2.471 6.895 -2.577 1.00 1.00 C ATOM 252 CG LYS A 18 3.400 7.633 -3.543 1.00 1.00 C ATOM 253 CD LYS A 18 4.854 7.202 -3.343 1.00 1.00 C ATOM 254 CE LYS A 18 5.770 8.418 -3.189 1.00 1.00 C ATOM 255 NZ LYS A 18 6.628 8.575 -4.385 1.00 1.00 N ATOM 0 H LYS A 18 0.580 6.248 -1.122 1.00 1.00 H new ATOM 0 HA LYS A 18 2.613 8.109 -0.861 1.00 1.00 H new ATOM 0 HB2 LYS A 18 3.033 6.133 -2.038 1.00 1.00 H new ATOM 0 HB3 LYS A 18 1.692 6.379 -3.139 1.00 1.00 H new ATOM 0 HG2 LYS A 18 3.096 7.433 -4.570 1.00 1.00 H new ATOM 0 HG3 LYS A 18 3.311 8.708 -3.388 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.931 6.570 -2.459 1.00 1.00 H new ATOM 0 HD3 LYS A 18 5.180 6.602 -4.193 1.00 1.00 H new ATOM 0 HE2 LYS A 18 5.170 9.317 -3.044 1.00 1.00 H new ATOM 0 HE3 LYS A 18 6.391 8.303 -2.301 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 7.243 9.405 -4.264 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 7.214 7.724 -4.506 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 6.031 8.707 -5.226 1.00 1.00 H new ATOM 268 N ALA A 19 0.127 9.195 -2.647 1.00 1.00 N ATOM 269 CA ALA A 19 -0.438 10.381 -3.268 1.00 1.00 C ATOM 270 C ALA A 19 -0.712 11.433 -2.193 1.00 1.00 C ATOM 271 O ALA A 19 -0.502 12.625 -2.409 1.00 1.00 O ATOM 272 CB ALA A 19 -1.699 9.998 -4.045 1.00 1.00 C ATOM 0 H ALA A 19 -0.511 8.402 -2.582 1.00 1.00 H new ATOM 0 HA ALA A 19 0.265 10.814 -3.980 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -2.123 10.887 -4.511 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -1.445 9.271 -4.816 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -2.429 9.563 -3.362 1.00 1.00 H new ATOM 278 N HIS A 20 -1.182 10.954 -1.042 1.00 1.00 N ATOM 279 CA HIS A 20 -1.503 11.804 0.100 1.00 1.00 C ATOM 280 C HIS A 20 -0.226 12.088 0.912 1.00 1.00 C ATOM 281 O HIS A 20 -0.305 12.571 2.040 1.00 1.00 O ATOM 282 CB HIS A 20 -2.633 11.149 0.907 1.00 1.00 C ATOM 283 CG HIS A 20 -4.047 11.462 0.473 1.00 1.00 C ATOM 284 ND1 HIS A 20 -4.583 10.965 -0.646 1.00 1.00 N ATOM 285 CD2 HIS A 20 -5.021 12.242 1.050 1.00 1.00 C ATOM 286 CE1 HIS A 20 -5.841 11.419 -0.761 1.00 1.00 C ATOM 287 NE2 HIS A 20 -6.162 12.211 0.260 1.00 1.00 N ATOM 0 H HIS A 20 -1.351 9.962 -0.876 1.00 1.00 H new ATOM 0 HA HIS A 20 -1.873 12.778 -0.220 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -2.497 10.068 0.868 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -2.523 11.447 1.950 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -4.113 10.343 -1.304 1.00 1.00 H new ATOM 0 HD2 HIS A 20 -4.915 12.793 1.973 1.00 1.00 H new ATOM 0 HE1 HIS A 20 -6.506 11.174 -1.576 1.00 1.00 H new ATOM 295 N GLN A 21 0.911 11.775 0.309 1.00 1.00 N ATOM 296 CA GLN A 21 2.190 11.993 0.963 1.00 1.00 C ATOM 297 C GLN A 21 2.865 13.247 0.407 1.00 1.00 C ATOM 298 O GLN A 21 4.042 13.492 0.670 1.00 1.00 O ATOM 299 CB GLN A 21 3.098 10.769 0.813 1.00 1.00 C ATOM 300 CG GLN A 21 3.906 10.526 2.087 1.00 1.00 C ATOM 301 CD GLN A 21 4.527 11.828 2.598 1.00 1.00 C ATOM 302 OE1 GLN A 21 3.844 12.781 2.936 1.00 1.00 O ATOM 303 NE2 GLN A 21 5.857 11.815 2.638 1.00 1.00 N ATOM 0 H GLN A 21 0.973 11.372 -0.626 1.00 1.00 H new ATOM 0 HA GLN A 21 2.010 12.144 2.027 1.00 1.00 H new ATOM 0 HB2 GLN A 21 2.494 9.890 0.588 1.00 1.00 H new ATOM 0 HB3 GLN A 21 3.775 10.915 -0.029 1.00 1.00 H new ATOM 0 HG2 GLN A 21 3.261 10.100 2.856 1.00 1.00 H new ATOM 0 HG3 GLN A 21 4.692 9.797 1.890 1.00 1.00 H new ATOM 0 HE21 GLN A 21 6.368 10.984 2.340 1.00 1.00 H new ATOM 0 HE22 GLN A 21 6.365 12.636 2.966 1.00 1.00 H new ATOM 311 N LYS A 22 2.091 14.010 -0.351 1.00 1.00 N ATOM 312 CA LYS A 22 2.600 15.234 -0.946 1.00 1.00 C ATOM 313 C LYS A 22 1.428 16.163 -1.270 1.00 1.00 C ATOM 314 O LYS A 22 1.373 16.745 -2.353 1.00 1.00 O ATOM 315 CB LYS A 22 3.485 14.916 -2.153 1.00 1.00 C ATOM 316 CG LYS A 22 4.813 15.672 -2.076 1.00 1.00 C ATOM 317 CD LYS A 22 5.902 14.949 -2.869 1.00 1.00 C ATOM 318 CE LYS A 22 7.134 15.840 -3.045 1.00 1.00 C ATOM 319 NZ LYS A 22 7.744 16.145 -1.732 1.00 1.00 N ATOM 0 H LYS A 22 1.116 13.804 -0.567 1.00 1.00 H new ATOM 0 HA LYS A 22 3.242 15.763 -0.241 1.00 1.00 H new ATOM 0 HB2 LYS A 22 3.675 13.844 -2.196 1.00 1.00 H new ATOM 0 HB3 LYS A 22 2.963 15.184 -3.072 1.00 1.00 H new ATOM 0 HG2 LYS A 22 4.684 16.682 -2.466 1.00 1.00 H new ATOM 0 HG3 LYS A 22 5.120 15.769 -1.035 1.00 1.00 H new ATOM 0 HD2 LYS A 22 6.183 14.031 -2.354 1.00 1.00 H new ATOM 0 HD3 LYS A 22 5.515 14.660 -3.846 1.00 1.00 H new ATOM 0 HE2 LYS A 22 7.863 15.341 -3.684 1.00 1.00 H new ATOM 0 HE3 LYS A 22 6.852 16.766 -3.546 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 8.642 16.649 -1.875 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 7.096 16.742 -1.179 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 7.923 15.259 -1.218 1.00 1.00 H new ATOM 332 N ALA A 23 0.521 16.275 -0.312 1.00 1.00 N ATOM 333 CA ALA A 23 -0.647 17.124 -0.482 1.00 1.00 C ATOM 334 C ALA A 23 -1.168 17.549 0.892 1.00 1.00 C ATOM 335 O ALA A 23 -2.377 17.604 1.111 1.00 1.00 O ATOM 336 CB ALA A 23 -1.704 16.381 -1.303 1.00 1.00 C ATOM 0 H ALA A 23 0.570 15.792 0.585 1.00 1.00 H new ATOM 0 HA ALA A 23 -0.386 18.030 -1.030 1.00 1.00 H new ATOM 0 HB1 ALA A 23 -2.580 17.018 -1.430 1.00 1.00 H new ATOM 0 HB2 ALA A 23 -1.294 16.128 -2.281 1.00 1.00 H new ATOM 0 HB3 ALA A 23 -1.992 15.467 -0.783 1.00 1.00 H new ATOM 391 N LYS A 28 1.770 15.764 9.857 1.00 1.00 N ATOM 392 CA LYS A 28 1.424 15.519 11.247 1.00 1.00 C ATOM 393 C LYS A 28 -0.078 15.733 11.440 1.00 1.00 C ATOM 394 O LYS A 28 -0.629 15.387 12.484 1.00 1.00 O ATOM 395 CB LYS A 28 2.291 16.375 12.174 1.00 1.00 C ATOM 396 CG LYS A 28 3.709 15.811 12.275 1.00 1.00 C ATOM 397 CD LYS A 28 3.767 14.649 13.271 1.00 1.00 C ATOM 398 CE LYS A 28 5.153 14.542 13.909 1.00 1.00 C ATOM 399 NZ LYS A 28 6.090 13.844 13.000 1.00 1.00 N ATOM 0 HA LYS A 28 1.636 14.484 11.515 1.00 1.00 H new ATOM 0 HB2 LYS A 28 2.329 17.398 11.800 1.00 1.00 H new ATOM 0 HB3 LYS A 28 1.840 16.414 13.166 1.00 1.00 H new ATOM 0 HG2 LYS A 28 4.040 15.471 11.294 1.00 1.00 H new ATOM 0 HG3 LYS A 28 4.396 16.598 12.588 1.00 1.00 H new ATOM 0 HD2 LYS A 28 3.016 14.793 14.047 1.00 1.00 H new ATOM 0 HD3 LYS A 28 3.524 13.716 12.762 1.00 1.00 H new ATOM 0 HE2 LYS A 28 5.533 15.538 14.137 1.00 1.00 H new ATOM 0 HE3 LYS A 28 5.084 14.003 14.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 7.026 13.780 13.449 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 5.734 12.887 12.803 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 6.169 14.374 12.109 1.00 1.00 H new ATOM 412 N LYS A 29 -0.698 16.303 10.417 1.00 1.00 N ATOM 413 CA LYS A 29 -2.126 16.567 10.461 1.00 1.00 C ATOM 414 C LYS A 29 -2.862 15.296 10.890 1.00 1.00 C ATOM 415 O LYS A 29 -3.575 15.295 11.892 1.00 1.00 O ATOM 416 CB LYS A 29 -2.607 17.133 9.124 1.00 1.00 C ATOM 417 CG LYS A 29 -4.082 17.535 9.198 1.00 1.00 C ATOM 418 CD LYS A 29 -4.241 18.932 9.801 1.00 1.00 C ATOM 419 CE LYS A 29 -3.692 20.004 8.856 1.00 1.00 C ATOM 420 NZ LYS A 29 -2.275 20.294 9.167 1.00 1.00 N ATOM 0 H LYS A 29 -0.238 16.589 9.553 1.00 1.00 H new ATOM 0 HA LYS A 29 -2.349 17.332 11.204 1.00 1.00 H new ATOM 0 HB2 LYS A 29 -2.003 17.999 8.853 1.00 1.00 H new ATOM 0 HB3 LYS A 29 -2.468 16.390 8.339 1.00 1.00 H new ATOM 0 HG2 LYS A 29 -4.519 17.514 8.199 1.00 1.00 H new ATOM 0 HG3 LYS A 29 -4.630 16.811 9.800 1.00 1.00 H new ATOM 0 HD2 LYS A 29 -5.294 19.126 10.004 1.00 1.00 H new ATOM 0 HD3 LYS A 29 -3.718 18.981 10.756 1.00 1.00 H new ATOM 0 HE2 LYS A 29 -3.782 19.667 7.823 1.00 1.00 H new ATOM 0 HE3 LYS A 29 -4.284 20.915 8.947 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 -2.171 21.301 9.406 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 -1.971 19.713 9.974 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 -1.686 20.072 8.339 1.00 1.00 H new ATOM 433 N CYS A 30 -2.665 14.243 10.109 1.00 1.00 N ATOM 434 CA CYS A 30 -3.302 12.969 10.396 1.00 1.00 C ATOM 435 C CYS A 30 -2.466 12.242 11.450 1.00 1.00 C ATOM 436 O CYS A 30 -3.003 11.665 12.393 1.00 1.00 O ATOM 437 CB CYS A 30 -3.480 12.128 9.130 1.00 1.00 C ATOM 438 SG CYS A 30 -3.730 13.221 7.683 1.00 1.00 S ATOM 0 H CYS A 30 -2.073 14.247 9.278 1.00 1.00 H new ATOM 0 HA CYS A 30 -4.306 13.140 10.784 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -2.603 11.500 8.974 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -4.334 11.460 9.244 1.00 1.00 H new ATOM 0 HG CYS A 30 -3.878 12.498 6.613 1.00 1.00 H new ATOM 443 N HIS A 31 -1.147 12.290 11.257 1.00 1.00 N ATOM 444 CA HIS A 31 -0.190 11.655 12.157 1.00 1.00 C ATOM 445 C HIS A 31 0.327 12.685 13.178 1.00 1.00 C ATOM 446 O HIS A 31 1.521 12.975 13.213 1.00 1.00 O ATOM 447 CB HIS A 31 0.910 10.987 11.322 1.00 1.00 C ATOM 448 CG HIS A 31 0.465 9.952 10.314 1.00 1.00 C ATOM 449 ND1 HIS A 31 -0.363 8.951 10.628 1.00 1.00 N ATOM 450 CD2 HIS A 31 0.762 9.797 8.981 1.00 1.00 C ATOM 451 CE1 HIS A 31 -0.573 8.202 9.535 1.00 1.00 C ATOM 452 NE2 HIS A 31 0.098 8.679 8.489 1.00 1.00 N ATOM 0 H HIS A 31 -0.714 12.772 10.469 1.00 1.00 H new ATOM 0 HA HIS A 31 -0.659 10.866 12.745 1.00 1.00 H new ATOM 0 HB2 HIS A 31 1.454 11.767 10.790 1.00 1.00 H new ATOM 0 HB3 HIS A 31 1.616 10.515 12.005 1.00 1.00 H new ATOM 0 HD2 HIS A 31 1.410 10.442 8.406 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -1.204 7.326 9.507 1.00 1.00 H new ATOM 0 HE2 HIS A 31 0.120 8.308 7.539 1.00 1.00 H new ATOM 460 N GLU A 32 -0.595 13.204 13.977 1.00 1.00 N ATOM 461 CA GLU A 32 -0.242 14.188 14.986 1.00 1.00 C ATOM 462 C GLU A 32 0.534 13.524 16.125 1.00 1.00 C ATOM 463 O GLU A 32 1.180 14.205 16.920 1.00 1.00 O ATOM 464 CB GLU A 32 -1.488 14.902 15.514 1.00 1.00 C ATOM 465 CG GLU A 32 -1.124 16.252 16.135 1.00 1.00 C ATOM 466 CD GLU A 32 -1.431 16.266 17.635 1.00 1.00 C ATOM 467 OE1 GLU A 32 -2.338 15.554 18.088 1.00 1.00 O ATOM 468 OE2 GLU A 32 -0.686 17.052 18.336 1.00 1.00 O ATOM 0 H GLU A 32 -1.585 12.961 13.946 1.00 1.00 H new ATOM 0 HA GLU A 32 0.399 14.939 14.525 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -2.198 15.051 14.701 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -1.982 14.277 16.258 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -0.065 16.457 15.975 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -1.681 17.047 15.639 1.00 1.00 H new ATOM 476 N LYS A 33 0.447 12.203 16.167 1.00 1.00 N ATOM 477 CA LYS A 33 1.133 11.440 17.196 1.00 1.00 C ATOM 478 C LYS A 33 2.194 10.553 16.543 1.00 1.00 C ATOM 479 O LYS A 33 2.632 9.565 17.133 1.00 1.00 O ATOM 480 CB LYS A 33 0.126 10.667 18.051 1.00 1.00 C ATOM 481 CG LYS A 33 -0.507 11.575 19.107 1.00 1.00 C ATOM 482 CD LYS A 33 -1.596 10.833 19.885 1.00 1.00 C ATOM 483 CE LYS A 33 -2.078 11.661 21.078 1.00 1.00 C ATOM 484 NZ LYS A 33 -2.703 12.922 20.615 1.00 1.00 N ATOM 0 H LYS A 33 -0.088 11.641 15.505 1.00 1.00 H new ATOM 0 HA LYS A 33 1.653 12.107 17.883 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -0.652 10.248 17.413 1.00 1.00 H new ATOM 0 HB3 LYS A 33 0.625 9.829 18.538 1.00 1.00 H new ATOM 0 HG2 LYS A 33 0.261 11.928 19.796 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -0.934 12.455 18.626 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -2.436 10.616 19.225 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -1.210 9.875 20.235 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -2.796 11.085 21.662 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -1.238 11.884 21.736 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -3.159 13.399 21.419 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -1.973 13.544 20.212 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -3.416 12.710 19.889 1.00 1.00 H new ATOM 497 N GLY A 34 2.578 10.936 15.335 1.00 1.00 N ATOM 498 CA GLY A 34 3.581 10.187 14.595 1.00 1.00 C ATOM 499 C GLY A 34 2.931 9.105 13.730 1.00 1.00 C ATOM 500 O GLY A 34 1.738 8.823 13.825 1.00 1.00 O ATOM 0 H GLY A 34 2.213 11.755 14.849 1.00 1.00 H new ATOM 0 HA2 GLY A 34 4.155 10.866 13.964 1.00 1.00 H new ATOM 0 HA3 GLY A 34 4.284 9.728 15.291 1.00 1.00 H new ATOM 504 N PRO A 35 3.753 8.499 12.872 1.00 1.00 N ATOM 505 CA PRO A 35 3.353 7.449 11.961 1.00 1.00 C ATOM 506 C PRO A 35 2.810 6.267 12.752 1.00 1.00 C ATOM 507 O PRO A 35 2.403 6.455 13.897 1.00 1.00 O ATOM 508 CB PRO A 35 4.630 7.069 11.215 1.00 1.00 C ATOM 509 CG PRO A 35 5.797 7.517 12.220 1.00 1.00 C ATOM 510 CD PRO A 35 5.160 8.807 12.733 1.00 1.00 C ATOM 0 HA PRO A 35 2.566 7.760 11.274 1.00 1.00 H new ATOM 0 HB2 PRO A 35 4.669 6.000 11.005 1.00 1.00 H new ATOM 0 HB3 PRO A 35 4.704 7.585 10.258 1.00 1.00 H new ATOM 0 HG2 PRO A 35 5.978 6.789 13.011 1.00 1.00 H new ATOM 0 HG3 PRO A 35 6.749 7.685 11.717 1.00 1.00 H new ATOM 0 HD2 PRO A 35 5.594 9.110 13.686 1.00 1.00 H new ATOM 0 HD3 PRO A 35 5.317 9.630 12.035 1.00 1.00 H new ATOM 518 N GLY A 36 2.812 5.091 12.140 1.00 1.00 N ATOM 519 CA GLY A 36 2.314 3.900 12.807 1.00 1.00 C ATOM 520 C GLY A 36 0.785 3.856 12.780 1.00 1.00 C ATOM 521 O GLY A 36 0.143 4.751 12.232 1.00 1.00 O ATOM 0 H GLY A 36 3.150 4.938 11.190 1.00 1.00 H new ATOM 0 HA2 GLY A 36 2.716 3.011 12.320 1.00 1.00 H new ATOM 0 HA3 GLY A 36 2.664 3.884 13.839 1.00 1.00 H new ATOM 525 N LYS A 37 0.245 2.805 13.379 1.00 1.00 N ATOM 526 CA LYS A 37 -1.196 2.632 13.432 1.00 1.00 C ATOM 527 C LYS A 37 -1.826 3.840 14.130 1.00 1.00 C ATOM 528 O LYS A 37 -1.320 4.304 15.150 1.00 1.00 O ATOM 529 CB LYS A 37 -1.553 1.293 14.080 1.00 1.00 C ATOM 530 CG LYS A 37 -1.701 0.194 13.024 1.00 1.00 C ATOM 531 CD LYS A 37 -2.762 0.569 11.989 1.00 1.00 C ATOM 532 CE LYS A 37 -3.392 -0.681 11.372 1.00 1.00 C ATOM 533 NZ LYS A 37 -4.233 -1.382 12.368 1.00 1.00 N ATOM 0 H LYS A 37 0.780 2.064 13.832 1.00 1.00 H new ATOM 0 HA LYS A 37 -1.611 2.593 12.425 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -0.779 1.013 14.795 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -2.483 1.392 14.639 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -0.745 0.031 12.527 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -1.974 -0.745 13.506 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -3.536 1.176 12.459 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -2.311 1.178 11.205 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -3.996 -0.403 10.508 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -2.610 -1.350 11.012 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -4.949 -1.954 11.877 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -3.636 -2.002 12.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -4.705 -0.683 12.977 1.00 1.00 H new ATOM 546 N ILE A 38 -2.920 4.313 13.551 1.00 1.00 N ATOM 547 CA ILE A 38 -3.623 5.458 14.105 1.00 1.00 C ATOM 548 C ILE A 38 -4.455 5.006 15.307 1.00 1.00 C ATOM 549 O ILE A 38 -5.145 3.990 15.242 1.00 1.00 O ATOM 550 CB ILE A 38 -4.441 6.161 13.020 1.00 1.00 C ATOM 551 CG1 ILE A 38 -3.529 6.901 12.039 1.00 1.00 C ATOM 552 CG2 ILE A 38 -5.489 7.087 13.637 1.00 1.00 C ATOM 553 CD1 ILE A 38 -4.327 7.887 11.185 1.00 1.00 C ATOM 0 H ILE A 38 -3.337 3.925 12.705 1.00 1.00 H new ATOM 0 HA ILE A 38 -2.914 6.202 14.468 1.00 1.00 H new ATOM 0 HB ILE A 38 -4.978 5.402 12.451 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -2.755 7.435 12.589 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -3.024 6.182 11.394 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -6.056 7.574 12.844 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -6.166 6.505 14.262 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -4.993 7.843 14.245 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -3.655 8.399 10.497 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.085 7.347 10.617 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.811 8.619 11.831 1.00 1.00 H new ATOM 560 N GLU A 39 -4.364 5.784 16.375 1.00 1.00 N ATOM 561 CA GLU A 39 -5.101 5.478 17.590 1.00 1.00 C ATOM 562 C GLU A 39 -6.432 4.807 17.248 1.00 1.00 C ATOM 563 O GLU A 39 -7.432 5.486 17.019 1.00 1.00 O ATOM 564 CB GLU A 39 -5.320 6.737 18.431 1.00 1.00 C ATOM 565 CG GLU A 39 -6.085 6.412 19.715 1.00 1.00 C ATOM 566 CD GLU A 39 -6.581 7.689 20.396 1.00 1.00 C ATOM 567 OE1 GLU A 39 -7.277 8.499 19.765 1.00 1.00 O ATOM 568 OE2 GLU A 39 -6.218 7.827 21.627 1.00 1.00 O ATOM 0 H GLU A 39 -3.791 6.626 16.425 1.00 1.00 H new ATOM 0 HA GLU A 39 -4.509 4.783 18.186 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -4.358 7.184 18.680 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -5.874 7.475 17.850 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -6.932 5.766 19.484 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -5.439 5.859 20.397 1.00 1.00 H new ATOM 576 N GLY A 40 -6.404 3.483 17.224 1.00 1.00 N ATOM 577 CA GLY A 40 -7.597 2.714 16.914 1.00 1.00 C ATOM 578 C GLY A 40 -8.499 3.471 15.938 1.00 1.00 C ATOM 579 O GLY A 40 -9.407 4.189 16.355 1.00 1.00 O ATOM 0 H GLY A 40 -5.573 2.923 17.414 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -7.313 1.754 16.483 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -8.146 2.501 17.832 1.00 1.00 H new ATOM 583 N PHE A 41 -8.218 3.285 14.656 1.00 1.00 N ATOM 584 CA PHE A 41 -8.993 3.942 13.617 1.00 1.00 C ATOM 585 C PHE A 41 -10.455 3.494 13.659 1.00 1.00 C ATOM 586 O PHE A 41 -10.741 2.299 13.723 1.00 1.00 O ATOM 587 CB PHE A 41 -8.383 3.529 12.276 1.00 1.00 C ATOM 588 CG PHE A 41 -9.005 4.231 11.067 1.00 1.00 C ATOM 589 CD1 PHE A 41 -10.312 4.019 10.757 1.00 1.00 C ATOM 590 CD2 PHE A 41 -8.252 5.066 10.303 1.00 1.00 C ATOM 591 CE1 PHE A 41 -10.890 4.669 9.635 1.00 1.00 C ATOM 592 CE2 PHE A 41 -8.829 5.717 9.181 1.00 1.00 C ATOM 593 CZ PHE A 41 -10.136 5.505 8.870 1.00 1.00 C ATOM 0 H PHE A 41 -7.465 2.689 14.314 1.00 1.00 H new ATOM 0 HA PHE A 41 -8.968 5.022 13.760 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -7.314 3.739 12.295 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -8.494 2.452 12.154 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -10.910 3.356 11.364 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -7.214 5.234 10.550 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -11.928 4.500 9.388 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -8.230 6.380 8.575 1.00 1.00 H new ATOM 0 HZ PHE A 41 -10.575 6.000 8.016 1.00 1.00 H new ATOM 603 N GLY A 42 -11.342 4.477 13.619 1.00 1.00 N ATOM 604 CA GLY A 42 -12.769 4.199 13.651 1.00 1.00 C ATOM 605 C GLY A 42 -13.444 4.647 12.352 1.00 1.00 C ATOM 606 O GLY A 42 -12.849 5.375 11.558 1.00 1.00 O ATOM 0 H GLY A 42 -11.101 5.467 13.565 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.932 3.132 13.800 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -13.224 4.713 14.498 1.00 1.00 H new ATOM 610 N LYS A 43 -14.676 4.193 12.176 1.00 1.00 N ATOM 611 CA LYS A 43 -15.437 4.538 10.988 1.00 1.00 C ATOM 612 C LYS A 43 -15.839 6.013 11.056 1.00 1.00 C ATOM 613 O LYS A 43 -15.644 6.757 10.096 1.00 1.00 O ATOM 614 CB LYS A 43 -16.622 3.585 10.816 1.00 1.00 C ATOM 615 CG LYS A 43 -16.207 2.139 11.091 1.00 1.00 C ATOM 616 CD LYS A 43 -15.364 1.583 9.942 1.00 1.00 C ATOM 617 CE LYS A 43 -13.872 1.807 10.198 1.00 1.00 C ATOM 618 NZ LYS A 43 -13.349 0.790 11.138 1.00 1.00 N ATOM 0 H LYS A 43 -15.166 3.589 12.836 1.00 1.00 H new ATOM 0 HA LYS A 43 -14.826 4.415 10.094 1.00 1.00 H new ATOM 0 HB2 LYS A 43 -17.425 3.872 11.495 1.00 1.00 H new ATOM 0 HB3 LYS A 43 -17.016 3.668 9.803 1.00 1.00 H new ATOM 0 HG2 LYS A 43 -15.639 2.090 12.020 1.00 1.00 H new ATOM 0 HG3 LYS A 43 -17.095 1.522 11.227 1.00 1.00 H new ATOM 0 HD2 LYS A 43 -15.560 0.517 9.825 1.00 1.00 H new ATOM 0 HD3 LYS A 43 -15.653 2.065 9.008 1.00 1.00 H new ATOM 0 HE2 LYS A 43 -13.324 1.757 9.257 1.00 1.00 H new ATOM 0 HE3 LYS A 43 -13.713 2.805 10.607 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 -12.438 1.110 11.524 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 -14.026 0.655 11.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 -13.215 -0.111 10.636 1.00 1.00 H new ATOM 631 N GLU A 44 -16.393 6.391 12.199 1.00 1.00 N ATOM 632 CA GLU A 44 -16.824 7.763 12.403 1.00 1.00 C ATOM 633 C GLU A 44 -15.674 8.730 12.115 1.00 1.00 C ATOM 634 O GLU A 44 -15.875 9.774 11.497 1.00 1.00 O ATOM 635 CB GLU A 44 -17.364 7.963 13.821 1.00 1.00 C ATOM 636 CG GLU A 44 -17.717 9.431 14.071 1.00 1.00 C ATOM 637 CD GLU A 44 -18.569 9.992 12.932 1.00 1.00 C ATOM 638 OE1 GLU A 44 -18.038 10.658 12.031 1.00 1.00 O ATOM 639 OE2 GLU A 44 -19.826 9.714 13.002 1.00 1.00 O ATOM 0 H GLU A 44 -16.553 5.771 12.993 1.00 1.00 H new ATOM 0 HA GLU A 44 -17.635 7.975 11.706 1.00 1.00 H new ATOM 0 HB2 GLU A 44 -18.248 7.342 13.968 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -16.620 7.635 14.547 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -18.257 9.523 15.013 1.00 1.00 H new ATOM 0 HG3 GLU A 44 -16.803 10.017 14.169 1.00 1.00 H new ATOM 647 N MET A 45 -14.491 8.346 12.575 1.00 1.00 N ATOM 648 CA MET A 45 -13.308 9.166 12.373 1.00 1.00 C ATOM 649 C MET A 45 -13.123 9.508 10.894 1.00 1.00 C ATOM 650 O MET A 45 -12.811 10.647 10.551 1.00 1.00 O ATOM 651 CB MET A 45 -12.076 8.417 12.883 1.00 1.00 C ATOM 652 CG MET A 45 -11.187 9.331 13.727 1.00 1.00 C ATOM 653 SD MET A 45 -11.405 8.964 15.461 1.00 1.00 S ATOM 654 CE MET A 45 -11.739 10.603 16.085 1.00 1.00 C ATOM 0 H MET A 45 -14.327 7.479 13.086 1.00 1.00 H new ATOM 0 HA MET A 45 -13.434 10.096 12.927 1.00 1.00 H new ATOM 0 HB2 MET A 45 -12.389 7.559 13.477 1.00 1.00 H new ATOM 0 HB3 MET A 45 -11.507 8.029 12.038 1.00 1.00 H new ATOM 0 HG2 MET A 45 -10.142 9.196 13.447 1.00 1.00 H new ATOM 0 HG3 MET A 45 -11.436 10.374 13.534 1.00 1.00 H new ATOM 0 HE1 MET A 45 -11.901 10.556 17.162 1.00 1.00 H new ATOM 0 HE2 MET A 45 -10.890 11.253 15.873 1.00 1.00 H new ATOM 0 HE3 MET A 45 -12.631 11.002 15.601 1.00 1.00 H new ATOM 664 N ALA A 46 -13.324 8.501 10.057 1.00 1.00 N ATOM 665 CA ALA A 46 -13.183 8.681 8.622 1.00 1.00 C ATOM 666 C ALA A 46 -14.021 9.881 8.179 1.00 1.00 C ATOM 667 O ALA A 46 -13.485 10.894 7.733 1.00 1.00 O ATOM 668 CB ALA A 46 -13.586 7.390 7.904 1.00 1.00 C ATOM 0 H ALA A 46 -13.583 7.558 10.345 1.00 1.00 H new ATOM 0 HA ALA A 46 -12.146 8.889 8.360 1.00 1.00 H new ATOM 0 HB1 ALA A 46 -13.481 7.524 6.827 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -12.942 6.574 8.233 1.00 1.00 H new ATOM 0 HB3 ALA A 46 -14.623 7.151 8.140 1.00 1.00 H new ATOM 674 N HIS A 47 -15.339 9.730 8.316 1.00 1.00 N ATOM 675 CA HIS A 47 -16.297 10.765 7.946 1.00 1.00 C ATOM 676 C HIS A 47 -16.082 12.011 8.825 1.00 1.00 C ATOM 677 O HIS A 47 -16.628 13.075 8.536 1.00 1.00 O ATOM 678 CB HIS A 47 -17.715 10.180 8.017 1.00 1.00 C ATOM 679 CG HIS A 47 -17.931 8.842 7.348 1.00 1.00 C ATOM 680 ND1 HIS A 47 -18.581 7.837 7.943 1.00 1.00 N ATOM 681 CD2 HIS A 47 -17.561 8.379 6.109 1.00 1.00 C ATOM 682 CE1 HIS A 47 -18.613 6.787 7.107 1.00 1.00 C ATOM 683 NE2 HIS A 47 -17.998 7.068 5.959 1.00 1.00 N ATOM 0 H HIS A 47 -15.770 8.884 8.688 1.00 1.00 H new ATOM 0 HA HIS A 47 -16.147 11.097 6.919 1.00 1.00 H new ATOM 0 HB2 HIS A 47 -17.991 10.084 9.067 1.00 1.00 H new ATOM 0 HB3 HIS A 47 -18.402 10.899 7.571 1.00 1.00 H new ATOM 0 HD2 HIS A 47 -17.016 8.945 5.368 1.00 1.00 H new ATOM 0 HE1 HIS A 47 -19.077 5.839 7.335 1.00 1.00 H new ATOM 0 HE2 HIS A 47 -17.875 6.458 5.151 1.00 1.00 H new ATOM 691 N GLY A 48 -15.290 11.836 9.872 1.00 1.00 N ATOM 692 CA GLY A 48 -15.000 12.930 10.784 1.00 1.00 C ATOM 693 C GLY A 48 -14.043 13.938 10.146 1.00 1.00 C ATOM 694 O GLY A 48 -14.297 14.433 9.049 1.00 1.00 O ATOM 0 H GLY A 48 -14.839 10.952 10.110 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -15.927 13.430 11.063 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -14.561 12.537 11.701 1.00 1.00 H new ATOM 698 N LYS A 49 -12.961 14.213 10.861 1.00 1.00 N ATOM 699 CA LYS A 49 -11.964 15.153 10.377 1.00 1.00 C ATOM 700 C LYS A 49 -10.650 14.411 10.124 1.00 1.00 C ATOM 701 O LYS A 49 -9.583 14.881 10.514 1.00 1.00 O ATOM 702 CB LYS A 49 -11.828 16.333 11.342 1.00 1.00 C ATOM 703 CG LYS A 49 -11.191 17.538 10.647 1.00 1.00 C ATOM 704 CD LYS A 49 -10.899 18.656 11.650 1.00 1.00 C ATOM 705 CE LYS A 49 -9.623 18.364 12.442 1.00 1.00 C ATOM 706 NZ LYS A 49 -9.520 19.265 13.611 1.00 1.00 N ATOM 0 H LYS A 49 -12.753 13.802 11.771 1.00 1.00 H new ATOM 0 HA LYS A 49 -12.276 15.583 9.425 1.00 1.00 H new ATOM 0 HB2 LYS A 49 -12.810 16.608 11.727 1.00 1.00 H new ATOM 0 HB3 LYS A 49 -11.221 16.039 12.198 1.00 1.00 H new ATOM 0 HG2 LYS A 49 -10.266 17.233 10.157 1.00 1.00 H new ATOM 0 HG3 LYS A 49 -11.858 17.908 9.868 1.00 1.00 H new ATOM 0 HD2 LYS A 49 -10.795 19.604 11.123 1.00 1.00 H new ATOM 0 HD3 LYS A 49 -11.740 18.763 12.335 1.00 1.00 H new ATOM 0 HE2 LYS A 49 -9.624 17.326 12.775 1.00 1.00 H new ATOM 0 HE3 LYS A 49 -8.752 18.492 11.799 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 -8.648 19.053 14.137 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 -9.497 20.253 13.287 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 -10.342 19.123 14.232 1.00 1.00 H new ATOM 719 N GLY A 50 -10.772 13.264 9.472 1.00 1.00 N ATOM 720 CA GLY A 50 -9.606 12.452 9.164 1.00 1.00 C ATOM 721 C GLY A 50 -9.830 11.636 7.889 1.00 1.00 C ATOM 722 O GLY A 50 -9.368 10.501 7.785 1.00 1.00 O ATOM 0 H GLY A 50 -11.659 12.878 9.149 1.00 1.00 H new ATOM 0 HA2 GLY A 50 -8.733 13.093 9.041 1.00 1.00 H new ATOM 0 HA3 GLY A 50 -9.394 11.782 9.997 1.00 1.00 H new ATOM 726 N CYS A 51 -10.540 12.247 6.950 1.00 1.00 N ATOM 727 CA CYS A 51 -10.830 11.590 5.687 1.00 1.00 C ATOM 728 C CYS A 51 -11.656 12.549 4.826 1.00 1.00 C ATOM 729 O CYS A 51 -11.167 13.067 3.824 1.00 1.00 O ATOM 730 CB CYS A 51 -11.542 10.252 5.894 1.00 1.00 C ATOM 731 SG CYS A 51 -11.094 8.949 4.690 1.00 1.00 S ATOM 0 H CYS A 51 -10.922 13.189 7.039 1.00 1.00 H new ATOM 0 HA CYS A 51 -9.897 11.354 5.175 1.00 1.00 H new ATOM 0 HB2 CYS A 51 -11.321 9.890 6.898 1.00 1.00 H new ATOM 0 HB3 CYS A 51 -12.618 10.418 5.845 1.00 1.00 H new ATOM 0 HG CYS A 51 -11.753 7.862 4.962 1.00 1.00 H new ATOM 736 N LYS A 52 -12.895 12.754 5.250 1.00 1.00 N ATOM 737 CA LYS A 52 -13.794 13.641 4.531 1.00 1.00 C ATOM 738 C LYS A 52 -13.668 15.057 5.098 1.00 1.00 C ATOM 739 O LYS A 52 -13.385 16.001 4.362 1.00 1.00 O ATOM 740 CB LYS A 52 -15.222 13.093 4.558 1.00 1.00 C ATOM 741 CG LYS A 52 -16.118 13.851 3.578 1.00 1.00 C ATOM 742 CD LYS A 52 -16.934 14.926 4.301 1.00 1.00 C ATOM 743 CE LYS A 52 -18.410 14.852 3.905 1.00 1.00 C ATOM 744 NZ LYS A 52 -19.024 13.611 4.427 1.00 1.00 N ATOM 0 H LYS A 52 -13.297 12.321 6.082 1.00 1.00 H new ATOM 0 HA LYS A 52 -13.517 13.693 3.478 1.00 1.00 H new ATOM 0 HB2 LYS A 52 -15.214 12.033 4.304 1.00 1.00 H new ATOM 0 HB3 LYS A 52 -15.628 13.176 5.566 1.00 1.00 H new ATOM 0 HG2 LYS A 52 -15.506 14.313 2.803 1.00 1.00 H new ATOM 0 HG3 LYS A 52 -16.790 13.153 3.079 1.00 1.00 H new ATOM 0 HD2 LYS A 52 -16.836 14.798 5.379 1.00 1.00 H new ATOM 0 HD3 LYS A 52 -16.538 15.912 4.059 1.00 1.00 H new ATOM 0 HE2 LYS A 52 -18.941 15.720 4.295 1.00 1.00 H new ATOM 0 HE3 LYS A 52 -18.504 14.883 2.819 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 -20.055 13.733 4.488 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 -18.806 12.820 3.788 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 -18.643 13.406 5.373 1.00 1.00 H new ATOM 757 N GLY A 53 -13.884 15.159 6.401 1.00 1.00 N ATOM 758 CA GLY A 53 -13.797 16.444 7.075 1.00 1.00 C ATOM 759 C GLY A 53 -12.720 17.326 6.441 1.00 1.00 C ATOM 760 O GLY A 53 -12.922 18.525 6.261 1.00 1.00 O ATOM 0 H GLY A 53 -14.119 14.374 7.008 1.00 1.00 H new ATOM 0 HA2 GLY A 53 -14.761 16.950 7.026 1.00 1.00 H new ATOM 0 HA3 GLY A 53 -13.571 16.290 8.130 1.00 1.00 H new ATOM 764 N CYS A 54 -11.599 16.696 6.120 1.00 1.00 N ATOM 765 CA CYS A 54 -10.490 17.408 5.509 1.00 1.00 C ATOM 766 C CYS A 54 -11.006 18.117 4.255 1.00 1.00 C ATOM 767 O CYS A 54 -11.232 19.325 4.262 1.00 1.00 O ATOM 768 CB CYS A 54 -9.321 16.472 5.195 1.00 1.00 C ATOM 769 SG CYS A 54 -7.805 17.059 6.035 1.00 1.00 S ATOM 0 H CYS A 54 -11.435 15.701 6.272 1.00 1.00 H new ATOM 0 HA CYS A 54 -10.100 18.147 6.209 1.00 1.00 H new ATOM 0 HB2 CYS A 54 -9.558 15.459 5.521 1.00 1.00 H new ATOM 0 HB3 CYS A 54 -9.157 16.430 4.118 1.00 1.00 H new ATOM 0 HG CYS A 54 -6.820 16.256 5.763 1.00 1.00 H new ATOM 774 N HIS A 55 -11.182 17.329 3.194 1.00 1.00 N ATOM 775 CA HIS A 55 -11.666 17.825 1.911 1.00 1.00 C ATOM 776 C HIS A 55 -12.745 18.899 2.142 1.00 1.00 C ATOM 777 O HIS A 55 -12.684 19.974 1.547 1.00 1.00 O ATOM 778 CB HIS A 55 -12.133 16.633 1.062 1.00 1.00 C ATOM 779 CG HIS A 55 -11.257 15.401 1.079 1.00 1.00 C ATOM 780 ND1 HIS A 55 -11.700 14.209 1.489 1.00 1.00 N ATOM 781 CD2 HIS A 55 -9.944 15.219 0.719 1.00 1.00 C ATOM 782 CE1 HIS A 55 -10.701 13.319 1.390 1.00 1.00 C ATOM 783 NE2 HIS A 55 -9.593 13.889 0.919 1.00 1.00 N ATOM 0 H HIS A 55 -10.992 16.327 3.203 1.00 1.00 H new ATOM 0 HA HIS A 55 -10.873 18.318 1.349 1.00 1.00 H new ATOM 0 HB2 HIS A 55 -13.130 16.346 1.398 1.00 1.00 H new ATOM 0 HB3 HIS A 55 -12.229 16.968 0.029 1.00 1.00 H new ATOM 0 HD2 HIS A 55 -9.288 15.988 0.340 1.00 1.00 H new ATOM 0 HE1 HIS A 55 -10.784 12.276 1.657 1.00 1.00 H new ATOM 0 HE2 HIS A 55 -8.690 13.448 0.744 1.00 1.00 H new ATOM 791 N GLU A 56 -13.696 18.570 3.003 1.00 1.00 N ATOM 792 CA GLU A 56 -14.776 19.493 3.313 1.00 1.00 C ATOM 793 C GLU A 56 -14.216 20.888 3.596 1.00 1.00 C ATOM 794 O GLU A 56 -14.794 21.890 3.179 1.00 1.00 O ATOM 795 CB GLU A 56 -15.607 18.986 4.493 1.00 1.00 C ATOM 796 CG GLU A 56 -16.358 20.136 5.169 1.00 1.00 C ATOM 797 CD GLU A 56 -17.296 20.833 4.182 1.00 1.00 C ATOM 798 OE1 GLU A 56 -18.178 20.184 3.600 1.00 1.00 O ATOM 799 OE2 GLU A 56 -17.085 22.096 4.029 1.00 1.00 O ATOM 0 H GLU A 56 -13.742 17.678 3.496 1.00 1.00 H new ATOM 0 HA GLU A 56 -15.435 19.556 2.447 1.00 1.00 H new ATOM 0 HB2 GLU A 56 -16.318 18.236 4.146 1.00 1.00 H new ATOM 0 HB3 GLU A 56 -14.956 18.496 5.217 1.00 1.00 H new ATOM 0 HG2 GLU A 56 -16.932 19.754 6.013 1.00 1.00 H new ATOM 0 HG3 GLU A 56 -15.644 20.856 5.568 1.00 1.00 H new ATOM 807 N GLU A 57 -13.096 20.909 4.305 1.00 1.00 N ATOM 808 CA GLU A 57 -12.452 22.165 4.649 1.00 1.00 C ATOM 809 C GLU A 57 -11.351 22.492 3.638 1.00 1.00 C ATOM 810 O GLU A 57 -11.250 23.624 3.169 1.00 1.00 O ATOM 811 CB GLU A 57 -11.893 22.123 6.073 1.00 1.00 C ATOM 812 CG GLU A 57 -12.348 23.342 6.877 1.00 1.00 C ATOM 813 CD GLU A 57 -11.471 23.541 8.115 1.00 1.00 C ATOM 814 OE1 GLU A 57 -11.089 22.559 8.769 1.00 1.00 O ATOM 815 OE2 GLU A 57 -11.185 24.768 8.390 1.00 1.00 O ATOM 0 H GLU A 57 -12.619 20.076 4.650 1.00 1.00 H new ATOM 0 HA GLU A 57 -13.201 22.956 4.611 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -12.223 21.211 6.570 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -10.804 22.091 6.039 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -12.305 24.232 6.250 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -13.387 23.215 7.180 1.00 1.00 H new ATOM 823 N MET A 58 -10.553 21.479 3.332 1.00 1.00 N ATOM 824 CA MET A 58 -9.464 21.644 2.385 1.00 1.00 C ATOM 825 C MET A 58 -9.986 22.110 1.024 1.00 1.00 C ATOM 826 O MET A 58 -9.213 22.555 0.177 1.00 1.00 O ATOM 827 CB MET A 58 -8.724 20.315 2.221 1.00 1.00 C ATOM 828 CG MET A 58 -7.225 20.543 2.013 1.00 1.00 C ATOM 829 SD MET A 58 -6.301 19.750 3.318 1.00 1.00 S ATOM 830 CE MET A 58 -6.721 20.816 4.687 1.00 1.00 C ATOM 0 H MET A 58 -10.639 20.541 3.723 1.00 1.00 H new ATOM 0 HA MET A 58 -8.784 22.403 2.771 1.00 1.00 H new ATOM 0 HB2 MET A 58 -8.882 19.696 3.104 1.00 1.00 H new ATOM 0 HB3 MET A 58 -9.134 19.769 1.371 1.00 1.00 H new ATOM 0 HG2 MET A 58 -6.919 20.145 1.046 1.00 1.00 H new ATOM 0 HG3 MET A 58 -7.009 21.611 2.001 1.00 1.00 H new ATOM 0 HE1 MET A 58 -6.142 20.527 5.564 1.00 1.00 H new ATOM 0 HE2 MET A 58 -6.493 21.850 4.427 1.00 1.00 H new ATOM 0 HE3 MET A 58 -7.784 20.723 4.907 1.00 1.00 H new ATOM 840 N LYS A 59 -11.296 21.991 0.856 1.00 1.00 N ATOM 841 CA LYS A 59 -11.930 22.394 -0.387 1.00 1.00 C ATOM 842 C LYS A 59 -11.212 21.725 -1.561 1.00 1.00 C ATOM 843 O LYS A 59 -11.055 22.327 -2.622 1.00 1.00 O ATOM 844 CB LYS A 59 -11.986 23.920 -0.490 1.00 1.00 C ATOM 845 CG LYS A 59 -12.889 24.358 -1.644 1.00 1.00 C ATOM 846 CD LYS A 59 -14.259 24.805 -1.130 1.00 1.00 C ATOM 847 CE LYS A 59 -15.310 23.715 -1.354 1.00 1.00 C ATOM 848 NZ LYS A 59 -16.666 24.238 -1.072 1.00 1.00 N ATOM 0 H LYS A 59 -11.934 21.621 1.560 1.00 1.00 H new ATOM 0 HA LYS A 59 -12.966 22.057 -0.412 1.00 1.00 H new ATOM 0 HB2 LYS A 59 -12.357 24.338 0.446 1.00 1.00 H new ATOM 0 HB3 LYS A 59 -10.981 24.315 -0.639 1.00 1.00 H new ATOM 0 HG2 LYS A 59 -12.417 25.175 -2.190 1.00 1.00 H new ATOM 0 HG3 LYS A 59 -13.012 23.534 -2.347 1.00 1.00 H new ATOM 0 HD2 LYS A 59 -14.194 25.040 -0.068 1.00 1.00 H new ATOM 0 HD3 LYS A 59 -14.563 25.719 -1.641 1.00 1.00 H new ATOM 0 HE2 LYS A 59 -15.258 23.357 -2.382 1.00 1.00 H new ATOM 0 HE3 LYS A 59 -15.101 22.862 -0.709 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 -17.367 23.486 -1.229 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 -16.716 24.558 -0.084 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 -16.868 25.038 -1.705 1.00 1.00 H new ATOM 861 N LYS A 60 -10.796 20.488 -1.332 1.00 1.00 N ATOM 862 CA LYS A 60 -10.099 19.731 -2.357 1.00 1.00 C ATOM 863 C LYS A 60 -10.258 18.234 -2.077 1.00 1.00 C ATOM 864 O LYS A 60 -9.973 17.773 -0.974 1.00 1.00 O ATOM 865 CB LYS A 60 -8.642 20.185 -2.462 1.00 1.00 C ATOM 866 CG LYS A 60 -8.030 20.388 -1.074 1.00 1.00 C ATOM 867 CD LYS A 60 -7.116 21.615 -1.051 1.00 1.00 C ATOM 868 CE LYS A 60 -5.777 21.313 -1.725 1.00 1.00 C ATOM 869 NZ LYS A 60 -4.872 22.480 -1.625 1.00 1.00 N ATOM 0 H LYS A 60 -10.929 19.991 -0.451 1.00 1.00 H new ATOM 0 HA LYS A 60 -10.539 19.922 -3.336 1.00 1.00 H new ATOM 0 HB2 LYS A 60 -8.065 19.443 -3.013 1.00 1.00 H new ATOM 0 HB3 LYS A 60 -8.587 21.115 -3.027 1.00 1.00 H new ATOM 0 HG2 LYS A 60 -8.824 20.508 -0.337 1.00 1.00 H new ATOM 0 HG3 LYS A 60 -7.462 19.502 -0.790 1.00 1.00 H new ATOM 0 HD2 LYS A 60 -7.604 22.446 -1.560 1.00 1.00 H new ATOM 0 HD3 LYS A 60 -6.946 21.927 -0.021 1.00 1.00 H new ATOM 0 HE2 LYS A 60 -5.314 20.445 -1.255 1.00 1.00 H new ATOM 0 HE3 LYS A 60 -5.939 21.060 -2.773 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 -3.967 22.258 -2.088 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 -5.309 23.299 -2.094 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 -4.703 22.704 -0.623 1.00 1.00 H new ATOM 882 N GLY A 61 -10.714 17.520 -3.096 1.00 1.00 N ATOM 883 CA GLY A 61 -10.915 16.086 -2.973 1.00 1.00 C ATOM 884 C GLY A 61 -12.385 15.719 -3.176 1.00 1.00 C ATOM 885 O GLY A 61 -13.258 16.574 -3.316 1.00 1.00 O ATOM 0 H GLY A 61 -10.950 17.907 -4.010 1.00 1.00 H new ATOM 0 HA2 GLY A 61 -10.302 15.565 -3.708 1.00 1.00 H new ATOM 0 HA3 GLY A 61 -10.586 15.752 -1.989 1.00 1.00 H new ATOM 889 N PRO A 62 -12.643 14.410 -3.189 1.00 1.00 N ATOM 890 CA PRO A 62 -13.962 13.839 -3.364 1.00 1.00 C ATOM 891 C PRO A 62 -14.648 13.712 -2.011 1.00 1.00 C ATOM 892 O PRO A 62 -13.975 13.392 -1.032 1.00 1.00 O ATOM 893 CB PRO A 62 -13.716 12.465 -3.984 1.00 1.00 C ATOM 894 CG PRO A 62 -12.139 12.210 -3.877 1.00 1.00 C ATOM 895 CD PRO A 62 -11.642 13.377 -3.027 1.00 1.00 C ATOM 0 HA PRO A 62 -14.609 14.452 -3.992 1.00 1.00 H new ATOM 0 HB2 PRO A 62 -14.273 11.692 -3.454 1.00 1.00 H new ATOM 0 HB3 PRO A 62 -14.046 12.441 -5.023 1.00 1.00 H new ATOM 0 HG2 PRO A 62 -11.919 11.251 -3.408 1.00 1.00 H new ATOM 0 HG3 PRO A 62 -11.667 12.200 -4.859 1.00 1.00 H new ATOM 0 HD2 PRO A 62 -11.539 13.088 -1.981 1.00 1.00 H new ATOM 0 HD3 PRO A 62 -10.663 13.720 -3.361 1.00 1.00 H new ATOM 903 N THR A 63 -15.947 13.963 -1.978 1.00 1.00 N ATOM 904 CA THR A 63 -16.697 13.872 -0.737 1.00 1.00 C ATOM 905 C THR A 63 -17.790 12.808 -0.850 1.00 1.00 C ATOM 906 O THR A 63 -18.197 12.221 0.152 1.00 1.00 O ATOM 907 CB THR A 63 -17.237 15.265 -0.407 1.00 1.00 C ATOM 908 OG1 THR A 63 -17.977 15.634 -1.566 1.00 1.00 O ATOM 909 CG2 THR A 63 -16.129 16.317 -0.321 1.00 1.00 C ATOM 0 H THR A 63 -16.501 14.230 -2.792 1.00 1.00 H new ATOM 0 HA THR A 63 -16.059 13.551 0.087 1.00 1.00 H new ATOM 0 HB THR A 63 -17.778 15.230 0.539 1.00 1.00 H new ATOM 0 HG1 THR A 63 -18.364 16.525 -1.437 1.00 1.00 H new ATOM 0 HG21 THR A 63 -16.566 17.287 -0.085 1.00 1.00 H new ATOM 0 HG22 THR A 63 -15.422 16.038 0.460 1.00 1.00 H new ATOM 0 HG23 THR A 63 -15.609 16.377 -1.277 1.00 1.00 H new ATOM 915 N LYS A 64 -18.235 12.591 -2.078 1.00 1.00 N ATOM 916 CA LYS A 64 -19.274 11.608 -2.336 1.00 1.00 C ATOM 917 C LYS A 64 -18.790 10.230 -1.878 1.00 1.00 C ATOM 918 O LYS A 64 -17.588 10.002 -1.745 1.00 1.00 O ATOM 919 CB LYS A 64 -19.701 11.652 -3.804 1.00 1.00 C ATOM 920 CG LYS A 64 -20.531 12.904 -4.096 1.00 1.00 C ATOM 921 CD LYS A 64 -19.934 13.700 -5.257 1.00 1.00 C ATOM 922 CE LYS A 64 -21.018 14.112 -6.255 1.00 1.00 C ATOM 923 NZ LYS A 64 -20.898 15.549 -6.589 1.00 1.00 N ATOM 0 H LYS A 64 -17.895 13.079 -2.907 1.00 1.00 H new ATOM 0 HA LYS A 64 -20.170 11.841 -1.760 1.00 1.00 H new ATOM 0 HB2 LYS A 64 -18.819 11.639 -4.444 1.00 1.00 H new ATOM 0 HB3 LYS A 64 -20.282 10.762 -4.044 1.00 1.00 H new ATOM 0 HG2 LYS A 64 -21.555 12.618 -4.335 1.00 1.00 H new ATOM 0 HG3 LYS A 64 -20.575 13.531 -3.205 1.00 1.00 H new ATOM 0 HD2 LYS A 64 -19.432 14.588 -4.873 1.00 1.00 H new ATOM 0 HD3 LYS A 64 -19.178 13.100 -5.763 1.00 1.00 H new ATOM 0 HE2 LYS A 64 -20.932 13.514 -7.162 1.00 1.00 H new ATOM 0 HE3 LYS A 64 -22.003 13.912 -5.834 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 -21.642 15.811 -7.267 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 -21.003 16.116 -5.724 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 -19.965 15.731 -7.011 1.00 1.00 H new ATOM 936 N CYS A 65 -19.752 9.347 -1.649 1.00 1.00 N ATOM 937 CA CYS A 65 -19.439 7.998 -1.208 1.00 1.00 C ATOM 938 C CYS A 65 -18.828 7.238 -2.386 1.00 1.00 C ATOM 939 O CYS A 65 -17.673 6.816 -2.325 1.00 1.00 O ATOM 940 CB CYS A 65 -20.672 7.287 -0.648 1.00 1.00 C ATOM 941 SG CYS A 65 -22.013 8.400 -0.089 1.00 1.00 S ATOM 0 H CYS A 65 -20.747 9.539 -1.761 1.00 1.00 H new ATOM 0 HA CYS A 65 -18.720 8.037 -0.390 1.00 1.00 H new ATOM 0 HB2 CYS A 65 -21.068 6.620 -1.414 1.00 1.00 H new ATOM 0 HB3 CYS A 65 -20.364 6.662 0.191 1.00 1.00 H new ATOM 0 HG CYS A 65 -23.005 7.692 0.363 1.00 1.00 H new ATOM 946 N GLY A 66 -19.627 7.087 -3.431 1.00 1.00 N ATOM 947 CA GLY A 66 -19.178 6.385 -4.622 1.00 1.00 C ATOM 948 C GLY A 66 -17.736 6.760 -4.969 1.00 1.00 C ATOM 949 O GLY A 66 -17.025 5.984 -5.605 1.00 1.00 O ATOM 0 H GLY A 66 -20.583 7.439 -3.478 1.00 1.00 H new ATOM 0 HA2 GLY A 66 -19.249 5.309 -4.463 1.00 1.00 H new ATOM 0 HA3 GLY A 66 -19.832 6.627 -5.460 1.00 1.00 H new ATOM 953 N GLU A 67 -17.349 7.952 -4.537 1.00 1.00 N ATOM 954 CA GLU A 67 -16.004 8.440 -4.795 1.00 1.00 C ATOM 955 C GLU A 67 -14.999 7.736 -3.881 1.00 1.00 C ATOM 956 O GLU A 67 -13.933 7.318 -4.330 1.00 1.00 O ATOM 957 CB GLU A 67 -15.931 9.958 -4.622 1.00 1.00 C ATOM 958 CG GLU A 67 -16.793 10.671 -5.667 1.00 1.00 C ATOM 959 CD GLU A 67 -16.065 10.759 -7.011 1.00 1.00 C ATOM 960 OE1 GLU A 67 -15.889 11.862 -7.548 1.00 1.00 O ATOM 961 OE2 GLU A 67 -15.677 9.629 -7.496 1.00 1.00 O ATOM 0 H GLU A 67 -17.942 8.593 -4.011 1.00 1.00 H new ATOM 0 HA GLU A 67 -15.747 8.211 -5.829 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -16.267 10.230 -3.621 1.00 1.00 H new ATOM 0 HB3 GLU A 67 -14.896 10.289 -4.712 1.00 1.00 H new ATOM 0 HG2 GLU A 67 -17.734 10.136 -5.794 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -17.040 11.673 -5.317 1.00 1.00 H new ATOM 969 N CYS A 68 -15.376 7.625 -2.615 1.00 1.00 N ATOM 970 CA CYS A 68 -14.521 6.977 -1.634 1.00 1.00 C ATOM 971 C CYS A 68 -14.788 5.472 -1.683 1.00 1.00 C ATOM 972 O CYS A 68 -13.867 4.672 -1.833 1.00 1.00 O ATOM 973 CB CYS A 68 -14.734 7.550 -0.232 1.00 1.00 C ATOM 974 SG CYS A 68 -13.478 8.834 0.118 1.00 1.00 S ATOM 0 H CYS A 68 -16.261 7.973 -2.246 1.00 1.00 H new ATOM 0 HA CYS A 68 -13.476 7.167 -1.877 1.00 1.00 H new ATOM 0 HB2 CYS A 68 -15.734 7.977 -0.153 1.00 1.00 H new ATOM 0 HB3 CYS A 68 -14.668 6.753 0.509 1.00 1.00 H new ATOM 0 HG CYS A 68 -13.670 9.315 1.310 1.00 1.00 H new ATOM 979 N HIS A 69 -16.068 5.122 -1.551 1.00 1.00 N ATOM 980 CA HIS A 69 -16.516 3.734 -1.573 1.00 1.00 C ATOM 981 C HIS A 69 -16.753 3.286 -3.026 1.00 1.00 C ATOM 982 O HIS A 69 -17.375 4.010 -3.802 1.00 1.00 O ATOM 983 CB HIS A 69 -17.742 3.594 -0.659 1.00 1.00 C ATOM 984 CG HIS A 69 -17.531 3.878 0.811 1.00 1.00 C ATOM 985 ND1 HIS A 69 -16.865 3.046 1.616 1.00 1.00 N ATOM 986 CD2 HIS A 69 -17.925 4.936 1.595 1.00 1.00 C ATOM 987 CE1 HIS A 69 -16.844 3.564 2.854 1.00 1.00 C ATOM 988 NE2 HIS A 69 -17.484 4.731 2.897 1.00 1.00 N ATOM 0 H HIS A 69 -16.823 5.796 -1.426 1.00 1.00 H new ATOM 0 HA HIS A 69 -15.754 3.062 -1.179 1.00 1.00 H new ATOM 0 HB2 HIS A 69 -18.519 4.265 -1.027 1.00 1.00 H new ATOM 0 HB3 HIS A 69 -18.125 2.578 -0.757 1.00 1.00 H new ATOM 0 HD1 HIS A 69 -16.442 2.161 1.336 1.00 1.00 H new ATOM 0 HD2 HIS A 69 -18.488 5.792 1.253 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -16.370 3.096 3.704 1.00 1.00 H new ATOM 996 N LYS A 70 -16.251 2.103 -3.344 1.00 1.00 N ATOM 997 CA LYS A 70 -16.404 1.559 -4.682 1.00 1.00 C ATOM 998 C LYS A 70 -17.061 0.179 -4.596 1.00 1.00 C ATOM 999 O LYS A 70 -16.484 -0.753 -4.039 1.00 1.00 O ATOM 1000 CB LYS A 70 -15.062 1.556 -5.417 1.00 1.00 C ATOM 1001 CG LYS A 70 -14.844 2.871 -6.168 1.00 1.00 C ATOM 1002 CD LYS A 70 -14.609 2.618 -7.659 1.00 1.00 C ATOM 1003 CE LYS A 70 -13.267 3.199 -8.109 1.00 1.00 C ATOM 1004 NZ LYS A 70 -12.726 2.428 -9.250 1.00 1.00 N ATOM 0 H LYS A 70 -15.737 1.505 -2.697 1.00 1.00 H new ATOM 0 HA LYS A 70 -17.065 2.191 -5.276 1.00 1.00 H new ATOM 0 HB2 LYS A 70 -14.253 1.403 -4.703 1.00 1.00 H new ATOM 0 HB3 LYS A 70 -15.030 0.723 -6.119 1.00 1.00 H new ATOM 0 HG2 LYS A 70 -15.712 3.517 -6.037 1.00 1.00 H new ATOM 0 HG3 LYS A 70 -13.988 3.398 -5.745 1.00 1.00 H new ATOM 0 HD2 LYS A 70 -14.630 1.546 -7.857 1.00 1.00 H new ATOM 0 HD3 LYS A 70 -15.416 3.066 -8.239 1.00 1.00 H new ATOM 0 HE2 LYS A 70 -13.394 4.243 -8.395 1.00 1.00 H new ATOM 0 HE3 LYS A 70 -12.559 3.179 -7.280 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 -11.815 2.835 -9.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 -12.587 1.438 -8.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 -13.395 2.469 -10.045 1.00 1.00 H new ATOM 1017 N LYS A 71 -18.260 0.094 -5.155 1.00 1.00 N ATOM 1018 CA LYS A 71 -19.001 -1.155 -5.148 1.00 1.00 C ATOM 1019 C LYS A 71 -18.590 -1.994 -6.359 1.00 1.00 C ATOM 1020 O LYS A 71 -17.439 -1.945 -6.791 1.00 1.00 O ATOM 1021 CB LYS A 71 -20.506 -0.884 -5.069 1.00 1.00 C ATOM 1022 CG LYS A 71 -20.944 0.094 -6.161 1.00 1.00 C ATOM 1023 CD LYS A 71 -22.401 -0.148 -6.561 1.00 1.00 C ATOM 1024 CE LYS A 71 -22.488 -0.836 -7.925 1.00 1.00 C ATOM 1025 NZ LYS A 71 -23.074 -2.188 -7.786 1.00 1.00 N ATOM 0 H LYS A 71 -18.736 0.870 -5.615 1.00 1.00 H new ATOM 0 HA LYS A 71 -18.758 -1.738 -4.259 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -21.054 -1.821 -5.173 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -20.755 -0.476 -4.089 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -20.826 1.118 -5.806 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -20.300 -0.017 -7.034 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -22.891 -0.764 -5.807 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -22.935 0.801 -6.594 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -23.096 -0.237 -8.603 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -21.494 -0.907 -8.367 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -23.126 -2.642 -8.720 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -22.478 -2.762 -7.156 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -24.030 -2.112 -7.384 1.00 1.00 H new