USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 502 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 X(o=0.93,f=0.93) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.931 K(o=0.93,f=-2.8!) USER MOD Set 2.1: A 17 HIS :FLIP no HE2:sc= -2.41 F(o=-10!,f=-7.9) USER MOD Set 2.2: A 21 GLN : amide:sc= -2.67 K(o=-7.9,f=-9.2!) USER MOD Set 2.3: A 31 HIS : no HE2:sc= -2.78! C(o=-7.9!,f=-9.8!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.873 K(o=-6.3,f=-7.1) USER MOD Set 3.2: A 55 HIS :FLIP no HD1:sc= -5.44 F(o=-7.1!,f=-6.3) 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=-0.000369 X(o=-0.00037,f=-0.42) 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 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 63:sc= 0.0565 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 166:sc= 0 (180deg=-0.271) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 CYS SG : rot 180:sc= -2.82 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= -3.7! USER MOD Single : A 58 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.0833 USER MOD Single : A 68 CYS SG : rot 180:sc= -1.3 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 24 N ASP A 3 -7.659 8.758 -2.385 1.00 1.00 N ATOM 25 CA ASP A 3 -7.036 8.475 -1.103 1.00 1.00 C ATOM 26 C ASP A 3 -7.834 7.385 -0.384 1.00 1.00 C ATOM 27 O ASP A 3 -9.022 7.558 -0.112 1.00 1.00 O ATOM 28 CB ASP A 3 -7.022 9.717 -0.211 1.00 1.00 C ATOM 29 CG ASP A 3 -6.207 9.580 1.077 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.670 8.504 1.381 1.00 1.00 O ATOM 31 OD2 ASP A 3 -6.134 10.650 1.793 1.00 1.00 O ATOM 0 HA ASP A 3 -6.011 8.154 -1.289 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.626 10.554 -0.786 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -8.049 9.968 0.052 1.00 1.00 H new ATOM 37 N ILE A 4 -7.150 6.288 -0.095 1.00 1.00 N ATOM 38 CA ILE A 4 -7.780 5.171 0.588 1.00 1.00 C ATOM 39 C ILE A 4 -7.119 4.975 1.954 1.00 1.00 C ATOM 40 O ILE A 4 -6.215 4.153 2.097 1.00 1.00 O ATOM 41 CB ILE A 4 -7.755 3.921 -0.293 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.959 3.890 -1.236 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.660 2.653 0.557 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.964 2.612 -2.078 1.00 1.00 C ATOM 0 H ILE A 4 -6.165 6.149 -0.321 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.834 5.382 0.771 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.861 3.960 -0.915 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.880 3.952 -0.657 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.935 4.761 -1.891 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.644 1.779 -0.094 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.746 2.680 1.150 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.522 2.595 1.221 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.830 2.616 -2.740 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -8.053 2.565 -2.674 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -9.013 1.744 -1.421 1.00 1.00 H new ATOM 56 N VAL A 5 -7.594 5.744 2.922 1.00 1.00 N ATOM 57 CA VAL A 5 -7.060 5.665 4.271 1.00 1.00 C ATOM 58 C VAL A 5 -7.346 4.277 4.848 1.00 1.00 C ATOM 59 O VAL A 5 -8.498 3.849 4.901 1.00 1.00 O ATOM 60 CB VAL A 5 -7.630 6.797 5.127 1.00 1.00 C ATOM 61 CG1 VAL A 5 -7.025 6.780 6.532 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.416 8.154 4.454 1.00 1.00 C ATOM 0 H VAL A 5 -8.343 6.425 2.799 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.978 5.796 4.261 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.704 6.636 5.223 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.447 7.595 7.120 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -7.252 5.829 7.014 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.944 6.904 6.464 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.830 8.942 5.083 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.349 8.326 4.313 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.916 8.163 3.485 1.00 1.00 H new ATOM 72 N LEU A 6 -6.278 3.612 5.265 1.00 1.00 N ATOM 73 CA LEU A 6 -6.400 2.282 5.835 1.00 1.00 C ATOM 74 C LEU A 6 -6.652 2.398 7.340 1.00 1.00 C ATOM 75 O LEU A 6 -6.830 3.499 7.860 1.00 1.00 O ATOM 76 CB LEU A 6 -5.179 1.432 5.480 1.00 1.00 C ATOM 77 CG LEU A 6 -5.043 1.035 4.009 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.586 0.730 3.656 1.00 1.00 C ATOM 79 CD2 LEU A 6 -5.971 -0.133 3.668 1.00 1.00 C ATOM 0 H LEU A 6 -5.324 3.970 5.219 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.257 1.762 5.407 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.283 1.979 5.772 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.207 0.523 6.080 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.353 1.882 3.397 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.517 0.450 2.605 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.975 1.614 3.837 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.226 -0.092 4.274 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -5.855 -0.395 2.616 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.716 -0.993 4.287 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.005 0.156 3.857 1.00 1.00 H new ATOM 91 N LYS A 7 -6.660 1.247 7.997 1.00 1.00 N ATOM 92 CA LYS A 7 -6.887 1.206 9.432 1.00 1.00 C ATOM 93 C LYS A 7 -5.571 0.889 10.143 1.00 1.00 C ATOM 94 O LYS A 7 -4.839 -0.009 9.730 1.00 1.00 O ATOM 95 CB LYS A 7 -8.018 0.232 9.767 1.00 1.00 C ATOM 96 CG LYS A 7 -7.682 -1.183 9.293 1.00 1.00 C ATOM 97 CD LYS A 7 -8.054 -2.220 10.354 1.00 1.00 C ATOM 98 CE LYS A 7 -9.571 -2.403 10.434 1.00 1.00 C ATOM 99 NZ LYS A 7 -9.910 -3.538 11.321 1.00 1.00 N ATOM 0 H LYS A 7 -6.513 0.336 7.562 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.218 2.179 9.794 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.192 0.227 10.843 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -8.942 0.567 9.296 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.217 -1.397 8.367 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -6.617 -1.252 9.069 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -7.581 -3.173 10.117 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -7.670 -1.906 11.325 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.034 -1.490 10.809 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -9.975 -2.580 9.437 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -10.943 -3.648 11.364 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -9.484 -4.410 10.947 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -9.541 -3.354 12.276 1.00 1.00 H new ATOM 112 N ALA A 8 -5.310 1.643 11.201 1.00 1.00 N ATOM 113 CA ALA A 8 -4.094 1.453 11.974 1.00 1.00 C ATOM 114 C ALA A 8 -4.029 2.507 13.081 1.00 1.00 C ATOM 115 O ALA A 8 -3.779 3.681 12.811 1.00 1.00 O ATOM 116 CB ALA A 8 -2.882 1.511 11.042 1.00 1.00 C ATOM 0 H ALA A 8 -5.920 2.387 11.541 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.092 0.473 12.451 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.970 1.369 11.622 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -2.962 0.724 10.292 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.850 2.482 10.547 1.00 1.00 H new ATOM 122 N LYS A 9 -4.258 2.050 14.303 1.00 1.00 N ATOM 123 CA LYS A 9 -4.229 2.939 15.452 1.00 1.00 C ATOM 124 C LYS A 9 -2.801 3.448 15.662 1.00 1.00 C ATOM 125 O LYS A 9 -2.574 4.364 16.450 1.00 1.00 O ATOM 126 CB LYS A 9 -4.822 2.247 16.681 1.00 1.00 C ATOM 127 CG LYS A 9 -6.300 2.603 16.851 1.00 1.00 C ATOM 128 CD LYS A 9 -6.479 3.721 17.881 1.00 1.00 C ATOM 129 CE LYS A 9 -6.173 3.219 19.293 1.00 1.00 C ATOM 130 NZ LYS A 9 -6.364 4.305 20.281 1.00 1.00 N ATOM 0 H LYS A 9 -4.464 1.076 14.523 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.856 3.812 15.273 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.713 1.167 16.582 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.268 2.543 17.572 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.715 2.916 15.893 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.857 1.720 17.166 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -5.820 4.554 17.637 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -7.500 4.099 17.839 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -6.824 2.379 19.536 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -5.148 2.852 19.341 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -6.152 3.948 21.235 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -5.725 5.094 20.057 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -7.349 4.637 20.246 1.00 1.00 H new ATOM 143 N ASN A 10 -1.876 2.831 14.942 1.00 1.00 N ATOM 144 CA ASN A 10 -0.476 3.209 15.039 1.00 1.00 C ATOM 145 C ASN A 10 -0.207 4.394 14.110 1.00 1.00 C ATOM 146 O ASN A 10 0.914 4.896 14.047 1.00 1.00 O ATOM 147 CB ASN A 10 0.437 2.058 14.614 1.00 1.00 C ATOM 148 CG ASN A 10 0.211 0.825 15.492 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.794 0.139 15.396 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.197 0.584 16.350 1.00 1.00 N ATOM 0 H ASN A 10 -2.068 2.072 14.289 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.268 3.468 16.077 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.248 1.805 13.571 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.479 2.371 14.682 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.140 -0.216 16.981 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.010 1.199 16.378 1.00 1.00 H new ATOM 157 N GLY A 11 -1.255 4.807 13.411 1.00 1.00 N ATOM 158 CA GLY A 11 -1.145 5.924 12.488 1.00 1.00 C ATOM 159 C GLY A 11 -1.595 5.519 11.082 1.00 1.00 C ATOM 160 O GLY A 11 -0.933 4.721 10.420 1.00 1.00 O ATOM 0 H GLY A 11 -2.183 4.388 13.465 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.754 6.755 12.843 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -0.113 6.275 12.457 1.00 1.00 H new ATOM 164 N ASP A 12 -2.718 6.087 10.668 1.00 1.00 N ATOM 165 CA ASP A 12 -3.264 5.796 9.354 1.00 1.00 C ATOM 166 C ASP A 12 -2.125 5.749 8.332 1.00 1.00 C ATOM 167 O ASP A 12 -1.054 6.306 8.566 1.00 1.00 O ATOM 168 CB ASP A 12 -4.249 6.880 8.913 1.00 1.00 C ATOM 169 CG ASP A 12 -5.726 6.514 9.068 1.00 1.00 C ATOM 170 OD1 ASP A 12 -6.608 7.384 9.028 1.00 1.00 O ATOM 171 OD2 ASP A 12 -5.961 5.257 9.240 1.00 1.00 O ATOM 0 H ASP A 12 -3.265 6.748 11.220 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.783 4.839 9.410 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -4.052 7.784 9.489 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -4.058 7.120 7.867 1.00 1.00 H new ATOM 177 N VAL A 13 -2.397 5.078 7.222 1.00 1.00 N ATOM 178 CA VAL A 13 -1.408 4.951 6.165 1.00 1.00 C ATOM 179 C VAL A 13 -2.016 5.429 4.844 1.00 1.00 C ATOM 180 O VAL A 13 -2.542 4.628 4.073 1.00 1.00 O ATOM 181 CB VAL A 13 -0.894 3.512 6.099 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.249 3.383 5.090 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.462 3.021 7.483 1.00 1.00 C ATOM 0 H VAL A 13 -3.287 4.617 7.032 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.544 5.582 6.373 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.713 2.879 5.759 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.596 2.350 5.063 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.105 3.673 4.101 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.071 4.034 5.387 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -0.101 1.995 7.409 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.335 3.660 7.863 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.312 3.058 8.164 1.00 1.00 H new ATOM 193 N LYS A 14 -1.924 6.733 4.625 1.00 1.00 N ATOM 194 CA LYS A 14 -2.458 7.327 3.411 1.00 1.00 C ATOM 195 C LYS A 14 -1.809 6.663 2.195 1.00 1.00 C ATOM 196 O LYS A 14 -0.604 6.792 1.983 1.00 1.00 O ATOM 197 CB LYS A 14 -2.296 8.847 3.443 1.00 1.00 C ATOM 198 CG LYS A 14 -2.521 9.452 2.055 1.00 1.00 C ATOM 199 CD LYS A 14 -1.422 10.458 1.710 1.00 1.00 C ATOM 200 CE LYS A 14 -1.702 11.138 0.368 1.00 1.00 C ATOM 201 NZ LYS A 14 -2.444 12.402 0.572 1.00 1.00 N ATOM 0 H LYS A 14 -1.488 7.394 5.268 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.530 7.146 3.337 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.005 9.277 4.150 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.297 9.102 3.797 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.540 8.659 1.308 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.493 9.944 2.022 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -1.353 11.210 2.496 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.458 9.950 1.670 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.763 11.340 -0.147 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -2.279 10.470 -0.271 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 -2.626 12.850 -0.349 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 -3.349 12.201 1.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 -1.880 13.044 1.164 1.00 1.00 H new ATOM 214 N LEU A 15 -2.636 5.968 1.428 1.00 1.00 N ATOM 215 CA LEU A 15 -2.157 5.285 0.238 1.00 1.00 C ATOM 216 C LEU A 15 -2.672 6.012 -1.005 1.00 1.00 C ATOM 217 O LEU A 15 -3.829 5.891 -1.399 1.00 1.00 O ATOM 218 CB LEU A 15 -2.534 3.803 0.284 1.00 1.00 C ATOM 219 CG LEU A 15 -2.542 3.071 -1.060 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.151 2.533 -1.400 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.604 1.970 -1.078 1.00 1.00 C ATOM 0 H LEU A 15 -3.635 5.863 1.607 1.00 1.00 H new ATOM 0 HA LEU A 15 -1.068 5.313 0.195 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.838 3.292 0.949 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.525 3.714 0.730 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.808 3.787 -1.838 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.185 2.017 -2.360 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.445 3.361 -1.458 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.831 1.836 -0.625 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.589 1.465 -2.044 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.394 1.249 -0.288 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.588 2.410 -0.914 1.00 1.00 H new ATOM 233 N PRO A 16 -1.772 6.782 -1.622 1.00 1.00 N ATOM 234 CA PRO A 16 -2.041 7.557 -2.814 1.00 1.00 C ATOM 235 C PRO A 16 -2.495 6.631 -3.933 1.00 1.00 C ATOM 236 O PRO A 16 -1.771 6.489 -4.917 1.00 1.00 O ATOM 237 CB PRO A 16 -0.710 8.220 -3.158 1.00 1.00 C ATOM 238 CG PRO A 16 0.101 8.185 -1.925 1.00 1.00 C ATOM 239 CD PRO A 16 -0.402 6.947 -1.185 1.00 1.00 C ATOM 0 HA PRO A 16 -2.831 8.295 -2.672 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.209 7.690 -3.968 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.862 9.246 -3.495 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.165 8.111 -2.149 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.037 9.088 -1.331 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.198 6.070 -1.428 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.346 7.082 -0.105 1.00 1.00 H new ATOM 247 N HIS A 17 -3.662 6.027 -3.767 1.00 1.00 N ATOM 248 CA HIS A 17 -4.186 5.121 -4.775 1.00 1.00 C ATOM 249 C HIS A 17 -3.955 5.713 -6.167 1.00 1.00 C ATOM 250 O HIS A 17 -3.384 5.058 -7.037 1.00 1.00 O ATOM 251 CB HIS A 17 -5.657 4.799 -4.505 1.00 1.00 C ATOM 252 CG HIS A 17 -6.176 3.605 -5.271 1.00 1.00 C ATOM 253 ND1 HIS A 17 -5.884 2.278 -5.156 1.00 1.00 N flip ATOM 254 CD2 HIS A 17 -7.106 3.714 -6.290 1.00 1.00 C flip ATOM 255 CE1 HIS A 17 -6.598 1.612 -6.055 1.00 1.00 C flip ATOM 256 NE2 HIS A 17 -7.356 2.501 -6.759 1.00 1.00 N flip ATOM 0 H HIS A 17 -4.260 6.147 -2.949 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.652 4.172 -4.728 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.789 4.618 -3.438 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.261 5.670 -4.758 1.00 1.00 H new ATOM 0 HD1 HIS A 17 -5.228 1.867 -4.492 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -7.552 4.632 -6.643 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -6.582 0.543 -6.204 1.00 1.00 H new ATOM 264 N LYS A 18 -4.411 6.946 -6.333 1.00 1.00 N ATOM 265 CA LYS A 18 -4.261 7.634 -7.604 1.00 1.00 C ATOM 266 C LYS A 18 -2.784 7.638 -8.006 1.00 1.00 C ATOM 267 O LYS A 18 -2.435 7.205 -9.103 1.00 1.00 O ATOM 268 CB LYS A 18 -4.882 9.030 -7.534 1.00 1.00 C ATOM 269 CG LYS A 18 -4.867 9.707 -8.907 1.00 1.00 C ATOM 270 CD LYS A 18 -5.745 8.946 -9.902 1.00 1.00 C ATOM 271 CE LYS A 18 -4.891 8.196 -10.926 1.00 1.00 C ATOM 272 NZ LYS A 18 -5.747 7.574 -11.961 1.00 1.00 N ATOM 0 H LYS A 18 -4.884 7.486 -5.609 1.00 1.00 H new ATOM 0 HA LYS A 18 -4.804 7.107 -8.388 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.907 8.958 -7.171 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.333 9.641 -6.817 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.222 10.734 -8.814 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -3.845 9.756 -9.282 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -6.380 8.240 -9.366 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -6.406 9.643 -10.416 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -4.187 8.884 -11.394 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -4.302 7.429 -10.424 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -5.151 7.069 -12.647 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -6.402 6.903 -11.512 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -6.291 8.312 -12.452 1.00 1.00 H new ATOM 285 N ALA A 19 -1.957 8.131 -7.096 1.00 1.00 N ATOM 286 CA ALA A 19 -0.527 8.197 -7.342 1.00 1.00 C ATOM 287 C ALA A 19 -0.010 6.801 -7.698 1.00 1.00 C ATOM 288 O ALA A 19 0.701 6.632 -8.688 1.00 1.00 O ATOM 289 CB ALA A 19 0.176 8.783 -6.116 1.00 1.00 C ATOM 0 H ALA A 19 -2.250 8.489 -6.187 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.313 8.853 -8.185 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.249 8.832 -6.301 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.205 9.786 -5.922 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.014 8.149 -5.250 1.00 1.00 H new ATOM 295 N HIS A 20 -0.388 5.837 -6.872 1.00 1.00 N ATOM 296 CA HIS A 20 0.028 4.461 -7.087 1.00 1.00 C ATOM 297 C HIS A 20 -0.578 3.940 -8.392 1.00 1.00 C ATOM 298 O HIS A 20 -0.048 3.011 -8.999 1.00 1.00 O ATOM 299 CB HIS A 20 -0.327 3.591 -5.880 1.00 1.00 C ATOM 300 CG HIS A 20 0.660 3.690 -4.741 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.618 4.701 -3.797 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.715 2.893 -4.405 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.607 4.513 -2.937 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.287 3.392 -3.315 1.00 1.00 N ATOM 0 H HIS A 20 -0.978 5.981 -6.052 1.00 1.00 H new ATOM 0 HA HIS A 20 1.113 4.417 -7.187 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.315 3.876 -5.517 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.393 2.551 -6.201 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.060 5.462 -3.769 1.00 1.00 H new ATOM 0 HD2 HIS A 20 2.031 2.007 -4.935 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.835 5.137 -2.086 1.00 1.00 H new ATOM 312 N GLN A 21 -1.681 4.561 -8.784 1.00 1.00 N ATOM 313 CA GLN A 21 -2.365 4.171 -10.006 1.00 1.00 C ATOM 314 C GLN A 21 -1.586 4.659 -11.229 1.00 1.00 C ATOM 315 O GLN A 21 -1.794 4.169 -12.338 1.00 1.00 O ATOM 316 CB GLN A 21 -3.800 4.700 -10.023 1.00 1.00 C ATOM 317 CG GLN A 21 -4.748 3.737 -9.305 1.00 1.00 C ATOM 318 CD GLN A 21 -6.173 4.295 -9.268 1.00 1.00 C ATOM 319 OE1 GLN A 21 -6.396 5.492 -9.199 1.00 1.00 O ATOM 320 NE2 GLN A 21 -7.120 3.363 -9.317 1.00 1.00 N ATOM 0 H GLN A 21 -2.118 5.331 -8.278 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.413 3.083 -10.041 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -3.837 5.678 -9.543 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.128 4.838 -11.053 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.745 2.772 -9.812 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.395 3.564 -8.288 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.863 2.378 -9.374 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -8.103 3.634 -9.297 1.00 1.00 H new ATOM 329 N LYS A 22 -0.706 5.619 -10.986 1.00 1.00 N ATOM 330 CA LYS A 22 0.105 6.179 -12.054 1.00 1.00 C ATOM 331 C LYS A 22 1.498 5.548 -12.015 1.00 1.00 C ATOM 332 O LYS A 22 2.071 5.234 -13.057 1.00 1.00 O ATOM 333 CB LYS A 22 0.119 7.707 -11.971 1.00 1.00 C ATOM 334 CG LYS A 22 0.267 8.330 -13.361 1.00 1.00 C ATOM 335 CD LYS A 22 -0.981 8.079 -14.209 1.00 1.00 C ATOM 336 CE LYS A 22 -1.051 9.057 -15.384 1.00 1.00 C ATOM 337 NZ LYS A 22 -2.338 8.917 -16.099 1.00 1.00 N ATOM 0 H LYS A 22 -0.537 6.023 -10.065 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.327 5.940 -13.026 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -0.803 8.058 -11.507 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.941 8.033 -11.333 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.437 9.402 -13.267 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.141 7.911 -13.860 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -0.971 7.055 -14.583 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -1.872 8.184 -13.591 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.939 10.079 -15.021 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.225 8.870 -16.070 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -2.369 9.588 -16.893 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.430 7.947 -16.462 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -3.122 9.118 -15.446 1.00 1.00 H new ATOM 350 N ALA A 23 2.003 5.380 -10.802 1.00 1.00 N ATOM 351 CA ALA A 23 3.319 4.792 -10.613 1.00 1.00 C ATOM 352 C ALA A 23 3.267 3.309 -10.985 1.00 1.00 C ATOM 353 O ALA A 23 4.260 2.744 -11.441 1.00 1.00 O ATOM 354 CB ALA A 23 3.776 5.016 -9.171 1.00 1.00 C ATOM 0 H ALA A 23 1.525 5.641 -9.940 1.00 1.00 H new ATOM 0 HA ALA A 23 4.051 5.270 -11.264 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.763 4.575 -9.029 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.824 6.086 -8.966 1.00 1.00 H new ATOM 0 HB3 ALA A 23 3.068 4.547 -8.488 1.00 1.00 H new ATOM 360 N VAL A 24 2.099 2.719 -10.776 1.00 1.00 N ATOM 361 CA VAL A 24 1.906 1.312 -11.083 1.00 1.00 C ATOM 362 C VAL A 24 0.680 1.156 -11.986 1.00 1.00 C ATOM 363 O VAL A 24 -0.411 0.798 -11.549 1.00 1.00 O ATOM 364 CB VAL A 24 1.801 0.503 -9.788 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.412 -0.948 -10.078 1.00 1.00 C ATOM 366 CG2 VAL A 24 3.106 0.573 -8.992 1.00 1.00 C ATOM 0 H VAL A 24 1.277 3.190 -10.398 1.00 1.00 H new ATOM 0 HA VAL A 24 2.764 0.918 -11.628 1.00 1.00 H new ATOM 0 HB VAL A 24 1.013 0.945 -9.179 1.00 1.00 H new ATOM 0 HG11 VAL A 24 1.344 -1.501 -9.141 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.447 -0.972 -10.584 1.00 1.00 H new ATOM 0 HG13 VAL A 24 2.167 -1.407 -10.716 1.00 1.00 H new ATOM 0 HG21 VAL A 24 3.005 -0.010 -8.076 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.921 0.168 -9.592 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.323 1.611 -8.739 1.00 1.00 H new ATOM 376 N PRO A 25 0.890 1.436 -13.274 1.00 1.00 N ATOM 377 CA PRO A 25 -0.126 1.354 -14.302 1.00 1.00 C ATOM 378 C PRO A 25 -0.655 -0.071 -14.384 1.00 1.00 C ATOM 379 O PRO A 25 -1.682 -0.287 -15.026 1.00 1.00 O ATOM 380 CB PRO A 25 0.591 1.748 -15.592 1.00 1.00 C ATOM 381 CG PRO A 25 1.819 2.481 -15.174 1.00 1.00 C ATOM 382 CD PRO A 25 2.160 1.859 -13.822 1.00 1.00 C ATOM 0 HA PRO A 25 -0.982 2.000 -14.106 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.845 0.867 -16.182 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -0.045 2.377 -16.215 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.629 2.350 -15.892 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.638 3.552 -15.089 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.841 1.016 -13.936 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.651 2.580 -13.169 1.00 1.00 H new ATOM 390 N ASP A 26 0.042 -1.000 -13.748 1.00 1.00 N ATOM 391 CA ASP A 26 -0.377 -2.392 -13.765 1.00 1.00 C ATOM 392 C ASP A 26 -1.224 -2.681 -12.524 1.00 1.00 C ATOM 393 O ASP A 26 -0.693 -3.042 -11.476 1.00 1.00 O ATOM 394 CB ASP A 26 0.831 -3.330 -13.741 1.00 1.00 C ATOM 395 CG ASP A 26 2.190 -2.641 -13.886 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.945 -2.508 -12.912 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.466 -2.224 -15.075 1.00 1.00 O ATOM 0 H ASP A 26 0.894 -0.817 -13.218 1.00 1.00 H new ATOM 0 HA ASP A 26 -0.948 -2.561 -14.678 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.821 -3.886 -12.804 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.722 -4.058 -14.545 1.00 1.00 H new ATOM 403 N CYS A 27 -2.528 -2.510 -12.685 1.00 1.00 N ATOM 404 CA CYS A 27 -3.454 -2.747 -11.591 1.00 1.00 C ATOM 405 C CYS A 27 -3.626 -4.259 -11.427 1.00 1.00 C ATOM 406 O CYS A 27 -4.737 -4.776 -11.532 1.00 1.00 O ATOM 407 CB CYS A 27 -4.793 -2.043 -11.820 1.00 1.00 C ATOM 408 SG CYS A 27 -4.692 -0.506 -12.809 1.00 1.00 S ATOM 0 H CYS A 27 -2.965 -2.210 -13.557 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.049 -2.325 -10.671 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.471 -2.736 -12.319 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.234 -1.807 -10.851 1.00 1.00 H new ATOM 0 HG CYS A 27 -4.263 -0.786 -14.004 1.00 1.00 H new ATOM 413 N LYS A 28 -2.509 -4.925 -11.171 1.00 1.00 N ATOM 414 CA LYS A 28 -2.522 -6.366 -10.991 1.00 1.00 C ATOM 415 C LYS A 28 -1.613 -6.737 -9.817 1.00 1.00 C ATOM 416 O LYS A 28 -2.032 -7.448 -8.904 1.00 1.00 O ATOM 417 CB LYS A 28 -2.157 -7.073 -12.298 1.00 1.00 C ATOM 418 CG LYS A 28 -1.189 -6.226 -13.127 1.00 1.00 C ATOM 419 CD LYS A 28 -0.758 -6.968 -14.394 1.00 1.00 C ATOM 420 CE LYS A 28 -1.521 -6.454 -15.617 1.00 1.00 C ATOM 421 NZ LYS A 28 -0.910 -6.968 -16.863 1.00 1.00 N ATOM 0 H LYS A 28 -1.589 -4.493 -11.084 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.525 -6.709 -10.739 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.704 -8.040 -12.079 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.061 -7.268 -12.875 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.665 -5.283 -13.397 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.312 -5.980 -12.529 1.00 1.00 H new ATOM 0 HD2 LYS A 28 0.313 -6.839 -14.549 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -0.936 -8.036 -14.272 1.00 1.00 H new ATOM 0 HE2 LYS A 28 -2.564 -6.767 -15.560 1.00 1.00 H new ATOM 0 HE3 LYS A 28 -1.515 -5.364 -15.625 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 -1.440 -6.610 -17.683 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 0.078 -6.648 -16.923 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 -0.938 -8.008 -16.860 1.00 1.00 H new ATOM 434 N LYS A 29 -0.387 -6.239 -9.878 1.00 1.00 N ATOM 435 CA LYS A 29 0.584 -6.510 -8.832 1.00 1.00 C ATOM 436 C LYS A 29 0.003 -6.084 -7.482 1.00 1.00 C ATOM 437 O LYS A 29 0.466 -6.533 -6.434 1.00 1.00 O ATOM 438 CB LYS A 29 1.924 -5.849 -9.161 1.00 1.00 C ATOM 439 CG LYS A 29 2.410 -6.259 -10.552 1.00 1.00 C ATOM 440 CD LYS A 29 3.355 -7.460 -10.471 1.00 1.00 C ATOM 441 CE LYS A 29 4.589 -7.248 -11.350 1.00 1.00 C ATOM 442 NZ LYS A 29 4.686 -8.313 -12.374 1.00 1.00 N ATOM 0 H LYS A 29 -0.044 -5.649 -10.636 1.00 1.00 H new ATOM 0 HA LYS A 29 0.789 -7.579 -8.769 1.00 1.00 H new ATOM 0 HB2 LYS A 29 1.820 -4.765 -9.113 1.00 1.00 H new ATOM 0 HB3 LYS A 29 2.666 -6.132 -8.414 1.00 1.00 H new ATOM 0 HG2 LYS A 29 1.555 -6.506 -11.182 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.922 -5.420 -11.024 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.663 -7.615 -9.437 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.830 -8.362 -10.786 1.00 1.00 H new ATOM 0 HE2 LYS A 29 4.534 -6.273 -11.835 1.00 1.00 H new ATOM 0 HE3 LYS A 29 5.487 -7.247 -10.732 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 5.529 -8.154 -12.962 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 4.760 -9.239 -11.906 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 3.837 -8.296 -12.974 1.00 1.00 H new ATOM 455 N CYS A 30 -1.002 -5.223 -7.550 1.00 1.00 N ATOM 456 CA CYS A 30 -1.650 -4.732 -6.346 1.00 1.00 C ATOM 457 C CYS A 30 -3.023 -5.398 -6.234 1.00 1.00 C ATOM 458 O CYS A 30 -3.518 -5.627 -5.131 1.00 1.00 O ATOM 459 CB CYS A 30 -1.754 -3.206 -6.342 1.00 1.00 C ATOM 460 SG CYS A 30 -0.461 -2.493 -5.261 1.00 1.00 S ATOM 0 H CYS A 30 -1.383 -4.853 -8.421 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.049 -4.992 -5.475 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.643 -2.823 -7.357 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.740 -2.901 -5.992 1.00 1.00 H new ATOM 0 HG CYS A 30 -0.557 -1.197 -5.267 1.00 1.00 H new ATOM 465 N HIS A 31 -3.599 -5.691 -7.390 1.00 1.00 N ATOM 466 CA HIS A 31 -4.905 -6.327 -7.436 1.00 1.00 C ATOM 467 C HIS A 31 -4.776 -7.722 -8.050 1.00 1.00 C ATOM 468 O HIS A 31 -4.527 -7.857 -9.247 1.00 1.00 O ATOM 469 CB HIS A 31 -5.913 -5.445 -8.176 1.00 1.00 C ATOM 470 CG HIS A 31 -6.338 -4.218 -7.405 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.125 -4.281 -6.268 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.076 -2.896 -7.618 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.322 -3.048 -5.826 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.672 -2.191 -6.665 1.00 1.00 N ATOM 0 H HIS A 31 -3.185 -5.500 -8.303 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.290 -6.448 -6.423 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.478 -5.132 -9.125 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.797 -6.039 -8.410 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.491 -5.133 -5.843 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.484 -2.492 -8.426 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.896 -2.770 -4.955 1.00 1.00 H new ATOM 482 N GLU A 32 -4.951 -8.725 -7.201 1.00 1.00 N ATOM 483 CA GLU A 32 -4.857 -10.105 -7.645 1.00 1.00 C ATOM 484 C GLU A 32 -6.098 -10.489 -8.453 1.00 1.00 C ATOM 485 O GLU A 32 -6.206 -10.149 -9.631 1.00 1.00 O ATOM 486 CB GLU A 32 -4.662 -11.051 -6.458 1.00 1.00 C ATOM 487 CG GLU A 32 -3.196 -11.086 -6.020 1.00 1.00 C ATOM 488 CD GLU A 32 -3.047 -10.624 -4.569 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.810 -11.451 -3.676 1.00 1.00 O ATOM 490 OE2 GLU A 32 -3.184 -9.354 -4.384 1.00 1.00 O ATOM 0 H GLU A 32 -5.157 -8.609 -6.209 1.00 1.00 H new ATOM 0 HA GLU A 32 -3.984 -10.199 -8.290 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.287 -10.729 -5.625 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -4.988 -12.055 -6.731 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.805 -12.098 -6.125 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -2.602 -10.446 -6.672 1.00 1.00 H new ATOM 498 N LYS A 33 -7.004 -11.191 -7.789 1.00 1.00 N ATOM 499 CA LYS A 33 -8.234 -11.624 -8.431 1.00 1.00 C ATOM 500 C LYS A 33 -8.743 -10.512 -9.349 1.00 1.00 C ATOM 501 O LYS A 33 -9.382 -10.784 -10.365 1.00 1.00 O ATOM 502 CB LYS A 33 -9.255 -12.073 -7.384 1.00 1.00 C ATOM 503 CG LYS A 33 -8.988 -13.513 -6.940 1.00 1.00 C ATOM 504 CD LYS A 33 -10.240 -14.378 -7.101 1.00 1.00 C ATOM 505 CE LYS A 33 -10.671 -14.974 -5.760 1.00 1.00 C ATOM 506 NZ LYS A 33 -11.706 -14.127 -5.125 1.00 1.00 N ATOM 0 H LYS A 33 -6.911 -11.471 -6.813 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.050 -12.496 -9.058 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.212 -11.409 -6.521 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.261 -11.996 -7.796 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -8.173 -13.934 -7.529 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.667 -13.522 -5.898 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -11.051 -13.777 -7.513 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -10.043 -15.180 -7.813 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -11.059 -15.981 -5.911 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.808 -15.061 -5.100 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -11.987 -14.546 -4.216 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -11.323 -13.174 -4.963 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -12.535 -14.066 -5.749 1.00 1.00 H new ATOM 519 N GLY A 34 -8.443 -9.281 -8.960 1.00 1.00 N ATOM 520 CA GLY A 34 -8.863 -8.127 -9.735 1.00 1.00 C ATOM 521 C GLY A 34 -8.976 -6.884 -8.851 1.00 1.00 C ATOM 522 O GLY A 34 -8.742 -6.917 -7.645 1.00 1.00 O ATOM 0 H GLY A 34 -7.913 -9.058 -8.117 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.148 -7.943 -10.537 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.825 -8.331 -10.206 1.00 1.00 H new ATOM 526 N PRO A 35 -9.347 -5.770 -9.487 1.00 1.00 N ATOM 527 CA PRO A 35 -9.519 -4.484 -8.847 1.00 1.00 C ATOM 528 C PRO A 35 -10.624 -4.575 -7.805 1.00 1.00 C ATOM 529 O PRO A 35 -11.751 -4.915 -8.163 1.00 1.00 O ATOM 530 CB PRO A 35 -9.909 -3.533 -9.978 1.00 1.00 C ATOM 531 CG PRO A 35 -9.397 -4.233 -11.276 1.00 1.00 C ATOM 532 CD PRO A 35 -9.631 -5.695 -10.904 1.00 1.00 C ATOM 0 HA PRO A 35 -8.622 -4.144 -8.329 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -10.987 -3.377 -10.011 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.449 -2.553 -9.848 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -9.960 -3.933 -12.160 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.348 -4.018 -11.478 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.656 -5.998 -11.118 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -8.978 -6.357 -11.473 1.00 1.00 H new ATOM 540 N GLY A 36 -10.290 -4.277 -6.558 1.00 1.00 N ATOM 541 CA GLY A 36 -11.271 -4.334 -5.487 1.00 1.00 C ATOM 542 C GLY A 36 -10.621 -4.771 -4.172 1.00 1.00 C ATOM 543 O GLY A 36 -9.425 -4.569 -3.970 1.00 1.00 O ATOM 0 H GLY A 36 -9.354 -3.995 -6.265 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.734 -3.355 -5.361 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.066 -5.031 -5.753 1.00 1.00 H new ATOM 547 N LYS A 37 -11.439 -5.361 -3.313 1.00 1.00 N ATOM 548 CA LYS A 37 -10.959 -5.828 -2.023 1.00 1.00 C ATOM 549 C LYS A 37 -9.877 -6.887 -2.240 1.00 1.00 C ATOM 550 O LYS A 37 -9.906 -7.616 -3.230 1.00 1.00 O ATOM 551 CB LYS A 37 -12.127 -6.308 -1.159 1.00 1.00 C ATOM 552 CG LYS A 37 -12.518 -7.744 -1.515 1.00 1.00 C ATOM 553 CD LYS A 37 -13.562 -8.286 -0.538 1.00 1.00 C ATOM 554 CE LYS A 37 -14.605 -9.138 -1.266 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.228 -10.104 -0.333 1.00 1.00 N ATOM 0 H LYS A 37 -12.431 -5.526 -3.485 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.498 -5.011 -1.468 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.852 -6.253 -0.106 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -12.983 -5.648 -1.300 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -12.914 -7.776 -2.530 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.633 -8.381 -1.498 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.071 -8.884 0.230 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.055 -7.457 -0.030 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -15.371 -8.495 -1.698 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -14.135 -9.672 -2.092 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -15.933 -10.674 -0.843 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -14.496 -10.729 0.059 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -15.694 -9.588 0.441 1.00 1.00 H new ATOM 568 N ILE A 38 -8.949 -6.940 -1.296 1.00 1.00 N ATOM 569 CA ILE A 38 -7.859 -7.899 -1.371 1.00 1.00 C ATOM 570 C ILE A 38 -7.966 -8.878 -0.200 1.00 1.00 C ATOM 571 O ILE A 38 -8.243 -8.474 0.928 1.00 1.00 O ATOM 572 CB ILE A 38 -6.513 -7.175 -1.447 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.539 -6.080 -2.515 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.370 -8.167 -1.669 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.352 -5.128 -2.352 1.00 1.00 C ATOM 0 H ILE A 38 -8.929 -6.335 -0.475 1.00 1.00 H new ATOM 0 HA ILE A 38 -7.930 -8.487 -2.286 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.333 -6.686 -0.490 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.513 -6.533 -3.506 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.471 -5.520 -2.444 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.424 -7.627 -1.719 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.339 -8.877 -0.843 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.531 -8.705 -2.603 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.394 -4.359 -3.123 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.394 -4.659 -1.369 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.421 -5.687 -2.447 1.00 1.00 H new ATOM 587 N GLU A 39 -7.741 -10.147 -0.509 1.00 1.00 N ATOM 588 CA GLU A 39 -7.809 -11.187 0.503 1.00 1.00 C ATOM 589 C GLU A 39 -6.400 -11.616 0.918 1.00 1.00 C ATOM 590 O GLU A 39 -5.618 -12.079 0.089 1.00 1.00 O ATOM 591 CB GLU A 39 -8.622 -12.384 0.006 1.00 1.00 C ATOM 592 CG GLU A 39 -9.663 -12.808 1.044 1.00 1.00 C ATOM 593 CD GLU A 39 -8.996 -13.179 2.370 1.00 1.00 C ATOM 594 OE1 GLU A 39 -8.480 -12.297 3.073 1.00 1.00 O ATOM 595 OE2 GLU A 39 -9.026 -14.435 2.663 1.00 1.00 O ATOM 0 H GLU A 39 -7.511 -10.478 -1.446 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.318 -10.783 1.378 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.119 -12.127 -0.929 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -7.954 -13.219 -0.207 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -10.373 -11.997 1.205 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -10.231 -13.659 0.668 1.00 1.00 H new ATOM 603 N GLY A 40 -6.119 -11.446 2.202 1.00 1.00 N ATOM 604 CA GLY A 40 -4.818 -11.810 2.737 1.00 1.00 C ATOM 605 C GLY A 40 -4.121 -10.597 3.356 1.00 1.00 C ATOM 606 O GLY A 40 -3.472 -10.712 4.395 1.00 1.00 O ATOM 0 H GLY A 40 -6.770 -11.061 2.887 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -4.935 -12.590 3.490 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.197 -12.225 1.943 1.00 1.00 H new ATOM 610 N PHE A 41 -4.278 -9.461 2.691 1.00 1.00 N ATOM 611 CA PHE A 41 -3.672 -8.228 3.163 1.00 1.00 C ATOM 612 C PHE A 41 -4.299 -7.779 4.485 1.00 1.00 C ATOM 613 O PHE A 41 -5.409 -7.248 4.501 1.00 1.00 O ATOM 614 CB PHE A 41 -3.939 -7.163 2.098 1.00 1.00 C ATOM 615 CG PHE A 41 -3.188 -5.850 2.330 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.648 -4.956 3.246 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.061 -5.576 1.619 1.00 1.00 C ATOM 618 CE1 PHE A 41 -2.951 -3.737 3.461 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.365 -4.357 1.834 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.824 -3.464 2.750 1.00 1.00 C ATOM 0 H PHE A 41 -4.816 -9.369 1.829 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.605 -8.378 3.331 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.661 -7.561 1.122 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -5.009 -6.957 2.065 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.543 -5.173 3.810 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.696 -6.285 0.891 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.316 -3.027 4.189 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.470 -4.139 1.269 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.294 -2.537 2.913 1.00 1.00 H new ATOM 674 N MET A 45 1.407 -8.586 4.986 1.00 1.00 N ATOM 675 CA MET A 45 1.383 -8.223 3.579 1.00 1.00 C ATOM 676 C MET A 45 1.934 -6.811 3.367 1.00 1.00 C ATOM 677 O MET A 45 2.866 -6.615 2.590 1.00 1.00 O ATOM 678 CB MET A 45 -0.054 -8.294 3.058 1.00 1.00 C ATOM 679 CG MET A 45 -0.502 -9.746 2.883 1.00 1.00 C ATOM 680 SD MET A 45 -0.935 -10.050 1.178 1.00 1.00 S ATOM 681 CE MET A 45 -1.243 -11.807 1.244 1.00 1.00 C ATOM 0 HA MET A 45 2.013 -8.924 3.031 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.722 -7.785 3.753 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.125 -7.770 2.105 1.00 1.00 H new ATOM 0 HG2 MET A 45 0.297 -10.421 3.190 1.00 1.00 H new ATOM 0 HG3 MET A 45 -1.358 -9.951 3.526 1.00 1.00 H new ATOM 0 HE1 MET A 45 -1.760 -12.120 0.337 1.00 1.00 H new ATOM 0 HE2 MET A 45 -0.295 -12.340 1.324 1.00 1.00 H new ATOM 0 HE3 MET A 45 -1.862 -12.036 2.112 1.00 1.00 H new ATOM 691 N ALA A 46 1.333 -5.864 4.073 1.00 1.00 N ATOM 692 CA ALA A 46 1.752 -4.477 3.972 1.00 1.00 C ATOM 693 C ALA A 46 3.221 -4.361 4.381 1.00 1.00 C ATOM 694 O ALA A 46 4.009 -3.707 3.699 1.00 1.00 O ATOM 695 CB ALA A 46 0.836 -3.603 4.832 1.00 1.00 C ATOM 0 H ALA A 46 0.560 -6.030 4.717 1.00 1.00 H new ATOM 0 HA ALA A 46 1.668 -4.125 2.944 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.150 -2.562 4.756 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.192 -3.698 4.482 1.00 1.00 H new ATOM 0 HB3 ALA A 46 0.896 -3.926 5.871 1.00 1.00 H new ATOM 701 N HIS A 47 3.546 -5.006 5.492 1.00 1.00 N ATOM 702 CA HIS A 47 4.907 -4.983 5.999 1.00 1.00 C ATOM 703 C HIS A 47 5.787 -5.903 5.150 1.00 1.00 C ATOM 704 O HIS A 47 6.972 -6.069 5.434 1.00 1.00 O ATOM 705 CB HIS A 47 4.938 -5.341 7.487 1.00 1.00 C ATOM 706 CG HIS A 47 4.114 -4.422 8.357 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.255 -4.887 9.337 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.028 -3.061 8.384 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.682 -3.845 9.921 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.162 -2.714 9.329 1.00 1.00 N ATOM 0 H HIS A 47 2.890 -5.548 6.055 1.00 1.00 H new ATOM 0 HA HIS A 47 5.312 -3.974 5.918 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.578 -6.362 7.612 1.00 1.00 H new ATOM 0 HB3 HIS A 47 5.971 -5.322 7.833 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.572 -2.381 7.745 1.00 1.00 H new ATOM 0 HE1 HIS A 47 1.961 -3.884 10.725 1.00 1.00 H new ATOM 0 HE2 HIS A 47 2.899 -1.759 9.572 1.00 1.00 H new ATOM 718 N GLY A 48 5.173 -6.475 4.125 1.00 1.00 N ATOM 719 CA GLY A 48 5.885 -7.374 3.233 1.00 1.00 C ATOM 720 C GLY A 48 5.299 -7.322 1.820 1.00 1.00 C ATOM 721 O GLY A 48 5.090 -6.242 1.271 1.00 1.00 O ATOM 0 H GLY A 48 4.190 -6.333 3.892 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.940 -7.102 3.203 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.829 -8.393 3.617 1.00 1.00 H new ATOM 725 N LYS A 49 5.052 -8.503 1.273 1.00 1.00 N ATOM 726 CA LYS A 49 4.494 -8.606 -0.064 1.00 1.00 C ATOM 727 C LYS A 49 3.113 -7.949 -0.088 1.00 1.00 C ATOM 728 O LYS A 49 2.094 -8.638 -0.078 1.00 1.00 O ATOM 729 CB LYS A 49 4.491 -10.063 -0.533 1.00 1.00 C ATOM 730 CG LYS A 49 4.470 -10.147 -2.060 1.00 1.00 C ATOM 731 CD LYS A 49 4.663 -11.590 -2.532 1.00 1.00 C ATOM 732 CE LYS A 49 6.002 -11.756 -3.253 1.00 1.00 C ATOM 733 NZ LYS A 49 7.107 -11.864 -2.275 1.00 1.00 N ATOM 0 H LYS A 49 5.228 -9.397 1.732 1.00 1.00 H new ATOM 0 HA LYS A 49 5.116 -8.067 -0.779 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.374 -10.574 -0.149 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.622 -10.578 -0.125 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.523 -9.761 -2.436 1.00 1.00 H new ATOM 0 HG3 LYS A 49 5.257 -9.517 -2.473 1.00 1.00 H new ATOM 0 HD2 LYS A 49 4.620 -12.265 -1.677 1.00 1.00 H new ATOM 0 HD3 LYS A 49 3.849 -11.870 -3.200 1.00 1.00 H new ATOM 0 HE2 LYS A 49 5.976 -12.647 -3.881 1.00 1.00 H new ATOM 0 HE3 LYS A 49 6.174 -10.906 -3.913 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 8.009 -11.976 -2.781 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 7.141 -11.003 -1.693 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.949 -12.689 -1.662 1.00 1.00 H new ATOM 746 N GLY A 50 3.123 -6.625 -0.120 1.00 1.00 N ATOM 747 CA GLY A 50 1.883 -5.867 -0.146 1.00 1.00 C ATOM 748 C GLY A 50 2.156 -4.375 -0.341 1.00 1.00 C ATOM 749 O GLY A 50 1.543 -3.734 -1.194 1.00 1.00 O ATOM 0 H GLY A 50 3.970 -6.057 -0.129 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.246 -6.232 -0.952 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.338 -6.022 0.785 1.00 1.00 H new ATOM 753 N CYS A 51 3.077 -3.864 0.463 1.00 1.00 N ATOM 754 CA CYS A 51 3.439 -2.459 0.389 1.00 1.00 C ATOM 755 C CYS A 51 4.952 -2.341 0.588 1.00 1.00 C ATOM 756 O CYS A 51 5.652 -1.795 -0.263 1.00 1.00 O ATOM 757 CB CYS A 51 2.663 -1.620 1.407 1.00 1.00 C ATOM 758 SG CYS A 51 0.869 -1.973 1.484 1.00 1.00 S ATOM 0 H CYS A 51 3.583 -4.398 1.169 1.00 1.00 H new ATOM 0 HA CYS A 51 3.170 -2.063 -0.590 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.094 -1.783 2.395 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.802 -0.565 1.169 1.00 1.00 H new ATOM 0 HG CYS A 51 0.314 -1.209 2.378 1.00 1.00 H new ATOM 763 N LYS A 52 5.411 -2.862 1.716 1.00 1.00 N ATOM 764 CA LYS A 52 6.827 -2.823 2.037 1.00 1.00 C ATOM 765 C LYS A 52 7.595 -3.700 1.046 1.00 1.00 C ATOM 766 O LYS A 52 8.764 -3.444 0.761 1.00 1.00 O ATOM 767 CB LYS A 52 7.056 -3.204 3.501 1.00 1.00 C ATOM 768 CG LYS A 52 8.028 -2.234 4.175 1.00 1.00 C ATOM 769 CD LYS A 52 9.384 -2.899 4.420 1.00 1.00 C ATOM 770 CE LYS A 52 9.634 -3.100 5.916 1.00 1.00 C ATOM 771 NZ LYS A 52 10.284 -4.407 6.162 1.00 1.00 N ATOM 0 H LYS A 52 4.827 -3.314 2.419 1.00 1.00 H new ATOM 0 HA LYS A 52 7.213 -1.809 1.932 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.105 -3.201 4.034 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.450 -4.218 3.559 1.00 1.00 H new ATOM 0 HG2 LYS A 52 8.159 -1.352 3.549 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.609 -1.893 5.122 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.419 -3.861 3.909 1.00 1.00 H new ATOM 0 HD3 LYS A 52 10.177 -2.284 3.995 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.264 -2.296 6.297 1.00 1.00 H new ATOM 0 HE3 LYS A 52 8.690 -3.049 6.459 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 10.446 -4.527 7.182 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 9.669 -5.171 5.817 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 11.194 -4.442 5.660 1.00 1.00 H new ATOM 784 N GLY A 53 6.907 -4.717 0.549 1.00 1.00 N ATOM 785 CA GLY A 53 7.509 -5.633 -0.404 1.00 1.00 C ATOM 786 C GLY A 53 7.955 -4.895 -1.668 1.00 1.00 C ATOM 787 O GLY A 53 9.111 -5.000 -2.078 1.00 1.00 O ATOM 0 H GLY A 53 5.938 -4.927 0.789 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.365 -6.128 0.053 1.00 1.00 H new ATOM 0 HA3 GLY A 53 6.793 -6.412 -0.667 1.00 1.00 H new ATOM 791 N CYS A 54 7.016 -4.165 -2.251 1.00 1.00 N ATOM 792 CA CYS A 54 7.298 -3.410 -3.460 1.00 1.00 C ATOM 793 C CYS A 54 8.201 -2.231 -3.090 1.00 1.00 C ATOM 794 O CYS A 54 9.118 -1.890 -3.835 1.00 1.00 O ATOM 795 CB CYS A 54 6.013 -2.949 -4.152 1.00 1.00 C ATOM 796 SG CYS A 54 6.415 -2.139 -5.743 1.00 1.00 S ATOM 0 H CYS A 54 6.059 -4.080 -1.909 1.00 1.00 H new ATOM 0 HA CYS A 54 7.811 -4.048 -4.179 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.357 -3.802 -4.324 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.472 -2.256 -3.508 1.00 1.00 H new ATOM 0 HG CYS A 54 5.317 -1.753 -6.323 1.00 1.00 H new ATOM 801 N HIS A 55 7.909 -1.642 -1.940 1.00 1.00 N ATOM 802 CA HIS A 55 8.683 -0.508 -1.462 1.00 1.00 C ATOM 803 C HIS A 55 10.149 -0.918 -1.303 1.00 1.00 C ATOM 804 O HIS A 55 11.050 -0.179 -1.695 1.00 1.00 O ATOM 805 CB HIS A 55 8.082 0.056 -0.174 1.00 1.00 C ATOM 806 CG HIS A 55 6.741 0.723 -0.362 1.00 1.00 C ATOM 807 ND1 HIS A 55 6.127 1.187 -1.488 1.00 1.00 N flip ATOM 808 CD2 HIS A 55 5.875 0.975 0.688 1.00 1.00 C flip ATOM 809 CE1 HIS A 55 4.949 1.695 -1.145 1.00 1.00 C flip ATOM 810 NE2 HIS A 55 4.792 1.565 0.204 1.00 1.00 N flip ATOM 0 H HIS A 55 7.147 -1.928 -1.325 1.00 1.00 H new ATOM 0 HA HIS A 55 8.645 0.298 -2.195 1.00 1.00 H new ATOM 0 HB2 HIS A 55 7.976 -0.752 0.549 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.778 0.777 0.254 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.052 0.732 1.725 1.00 1.00 H new ATOM 0 HE1 HIS A 55 4.233 2.138 -1.822 1.00 1.00 H new ATOM 0 HE2 HIS A 55 3.983 1.869 0.745 1.00 1.00 H new ATOM 818 N GLU A 56 10.341 -2.096 -0.728 1.00 1.00 N ATOM 819 CA GLU A 56 11.682 -2.614 -0.512 1.00 1.00 C ATOM 820 C GLU A 56 12.222 -3.240 -1.799 1.00 1.00 C ATOM 821 O GLU A 56 13.433 -3.277 -2.015 1.00 1.00 O ATOM 822 CB GLU A 56 11.702 -3.621 0.639 1.00 1.00 C ATOM 823 CG GLU A 56 11.304 -2.955 1.958 1.00 1.00 C ATOM 824 CD GLU A 56 12.494 -2.223 2.583 1.00 1.00 C ATOM 825 OE1 GLU A 56 13.406 -1.792 1.861 1.00 1.00 O ATOM 826 OE2 GLU A 56 12.450 -2.108 3.867 1.00 1.00 O ATOM 0 H GLU A 56 9.591 -2.707 -0.405 1.00 1.00 H new ATOM 0 HA GLU A 56 12.331 -1.784 -0.235 1.00 1.00 H new ATOM 0 HB2 GLU A 56 11.018 -4.441 0.421 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.699 -4.053 0.732 1.00 1.00 H new ATOM 0 HG2 GLU A 56 10.490 -2.251 1.783 1.00 1.00 H new ATOM 0 HG3 GLU A 56 10.930 -3.708 2.652 1.00 1.00 H new ATOM 834 N GLU A 57 11.299 -3.718 -2.620 1.00 1.00 N ATOM 835 CA GLU A 57 11.667 -4.341 -3.880 1.00 1.00 C ATOM 836 C GLU A 57 12.048 -3.275 -4.909 1.00 1.00 C ATOM 837 O GLU A 57 12.868 -3.523 -5.791 1.00 1.00 O ATOM 838 CB GLU A 57 10.537 -5.229 -4.403 1.00 1.00 C ATOM 839 CG GLU A 57 10.949 -5.936 -5.697 1.00 1.00 C ATOM 840 CD GLU A 57 12.105 -6.906 -5.447 1.00 1.00 C ATOM 841 OE1 GLU A 57 13.172 -6.771 -6.065 1.00 1.00 O ATOM 842 OE2 GLU A 57 11.867 -7.826 -4.575 1.00 1.00 O ATOM 0 H GLU A 57 10.296 -3.686 -2.437 1.00 1.00 H new ATOM 0 HA GLU A 57 12.535 -4.978 -3.708 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.273 -5.970 -3.648 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.648 -4.625 -4.582 1.00 1.00 H new ATOM 0 HG2 GLU A 57 10.097 -6.478 -6.107 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.244 -5.197 -6.441 1.00 1.00 H new ATOM 850 N MET A 58 11.434 -2.110 -4.761 1.00 1.00 N ATOM 851 CA MET A 58 11.698 -1.005 -5.666 1.00 1.00 C ATOM 852 C MET A 58 12.634 0.020 -5.023 1.00 1.00 C ATOM 853 O MET A 58 13.548 0.525 -5.672 1.00 1.00 O ATOM 854 CB MET A 58 10.379 -0.326 -6.042 1.00 1.00 C ATOM 855 CG MET A 58 9.444 -1.303 -6.757 1.00 1.00 C ATOM 856 SD MET A 58 8.255 -0.403 -7.738 1.00 1.00 S ATOM 857 CE MET A 58 8.537 -1.154 -9.333 1.00 1.00 C ATOM 0 H MET A 58 10.754 -1.908 -4.028 1.00 1.00 H new ATOM 0 HA MET A 58 12.182 -1.400 -6.559 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.894 0.056 -5.144 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.577 0.531 -6.686 1.00 1.00 H new ATOM 0 HG2 MET A 58 10.022 -1.972 -7.395 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.928 -1.926 -6.026 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.871 -0.705 -10.070 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.572 -0.992 -9.633 1.00 1.00 H new ATOM 0 HE3 MET A 58 8.340 -2.224 -9.271 1.00 1.00 H new ATOM 867 N LYS A 59 12.374 0.296 -3.753 1.00 1.00 N ATOM 868 CA LYS A 59 13.182 1.251 -3.014 1.00 1.00 C ATOM 869 C LYS A 59 12.773 2.671 -3.407 1.00 1.00 C ATOM 870 O LYS A 59 13.626 3.514 -3.681 1.00 1.00 O ATOM 871 CB LYS A 59 14.671 0.962 -3.215 1.00 1.00 C ATOM 872 CG LYS A 59 14.974 -0.524 -3.015 1.00 1.00 C ATOM 873 CD LYS A 59 15.281 -0.828 -1.547 1.00 1.00 C ATOM 874 CE LYS A 59 16.782 -0.733 -1.270 1.00 1.00 C ATOM 875 NZ LYS A 59 17.053 -0.896 0.176 1.00 1.00 N ATOM 0 H LYS A 59 11.615 -0.125 -3.217 1.00 1.00 H new ATOM 0 HA LYS A 59 13.003 1.153 -1.943 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.972 1.266 -4.218 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.258 1.554 -2.513 1.00 1.00 H new ATOM 0 HG2 LYS A 59 14.122 -1.120 -3.343 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.823 -0.812 -3.635 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.744 -0.128 -0.907 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.924 -1.827 -1.296 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.311 -1.501 -1.834 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.161 0.231 -1.611 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.077 -0.829 0.347 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.563 -0.148 0.707 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.710 -1.826 0.491 1.00 1.00 H new ATOM 888 N LYS A 60 11.466 2.893 -3.424 1.00 1.00 N ATOM 889 CA LYS A 60 10.933 4.197 -3.780 1.00 1.00 C ATOM 890 C LYS A 60 9.923 4.637 -2.718 1.00 1.00 C ATOM 891 O LYS A 60 9.934 5.788 -2.285 1.00 1.00 O ATOM 892 CB LYS A 60 10.363 4.174 -5.199 1.00 1.00 C ATOM 893 CG LYS A 60 11.482 4.237 -6.241 1.00 1.00 C ATOM 894 CD LYS A 60 11.082 3.501 -7.521 1.00 1.00 C ATOM 895 CE LYS A 60 11.204 4.416 -8.741 1.00 1.00 C ATOM 896 NZ LYS A 60 10.910 3.667 -9.983 1.00 1.00 N ATOM 0 H LYS A 60 10.761 2.192 -3.197 1.00 1.00 H new ATOM 0 HA LYS A 60 11.728 4.943 -3.793 1.00 1.00 H new ATOM 0 HB2 LYS A 60 9.777 3.267 -5.344 1.00 1.00 H new ATOM 0 HB3 LYS A 60 9.686 5.017 -5.336 1.00 1.00 H new ATOM 0 HG2 LYS A 60 11.710 5.277 -6.472 1.00 1.00 H new ATOM 0 HG3 LYS A 60 12.390 3.795 -5.832 1.00 1.00 H new ATOM 0 HD2 LYS A 60 11.717 2.625 -7.654 1.00 1.00 H new ATOM 0 HD3 LYS A 60 10.057 3.142 -7.433 1.00 1.00 H new ATOM 0 HE2 LYS A 60 10.515 5.255 -8.644 1.00 1.00 H new ATOM 0 HE3 LYS A 60 12.210 4.833 -8.791 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 10.997 4.303 -10.801 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 11.584 2.881 -10.082 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 9.942 3.290 -9.940 1.00 1.00 H new ATOM 909 N GLY A 61 9.074 3.697 -2.330 1.00 1.00 N ATOM 910 CA GLY A 61 8.059 3.973 -1.327 1.00 1.00 C ATOM 911 C GLY A 61 8.670 4.011 0.075 1.00 1.00 C ATOM 912 O GLY A 61 9.879 3.901 0.263 1.00 1.00 O ATOM 0 H GLY A 61 9.068 2.743 -2.692 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.578 4.927 -1.544 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.284 3.208 -1.369 1.00 1.00 H new ATOM 916 N PRO A 62 7.792 4.171 1.069 1.00 1.00 N ATOM 917 CA PRO A 62 8.149 4.233 2.470 1.00 1.00 C ATOM 918 C PRO A 62 8.524 2.843 2.963 1.00 1.00 C ATOM 919 O PRO A 62 7.787 1.896 2.688 1.00 1.00 O ATOM 920 CB PRO A 62 6.891 4.742 3.171 1.00 1.00 C ATOM 921 CG PRO A 62 5.764 4.086 2.270 1.00 1.00 C ATOM 922 CD PRO A 62 6.363 4.303 0.883 1.00 1.00 C ATOM 0 HA PRO A 62 9.005 4.880 2.662 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.834 4.413 4.209 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.833 5.830 3.178 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.613 3.031 2.497 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.799 4.579 2.388 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.988 3.568 0.171 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.105 5.287 0.491 1.00 1.00 H new ATOM 930 N THR A 63 9.641 2.744 3.668 1.00 1.00 N ATOM 931 CA THR A 63 10.089 1.462 4.185 1.00 1.00 C ATOM 932 C THR A 63 10.452 1.581 5.666 1.00 1.00 C ATOM 933 O THR A 63 11.219 0.773 6.188 1.00 1.00 O ATOM 934 CB THR A 63 11.250 0.981 3.311 1.00 1.00 C ATOM 935 OG1 THR A 63 11.856 2.184 2.846 1.00 1.00 O ATOM 936 CG2 THR A 63 10.773 0.286 2.034 1.00 1.00 C ATOM 0 H THR A 63 10.250 3.531 3.894 1.00 1.00 H new ATOM 0 HA THR A 63 9.295 0.716 4.137 1.00 1.00 H new ATOM 0 HB THR A 63 11.876 0.297 3.884 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.620 1.965 2.273 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.636 -0.035 1.451 1.00 1.00 H new ATOM 0 HG22 THR A 63 10.169 -0.582 2.296 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.174 0.980 1.444 1.00 1.00 H new ATOM 944 N LYS A 64 9.884 2.595 6.302 1.00 1.00 N ATOM 945 CA LYS A 64 10.138 2.831 7.713 1.00 1.00 C ATOM 946 C LYS A 64 8.805 2.983 8.448 1.00 1.00 C ATOM 947 O LYS A 64 7.805 3.380 7.852 1.00 1.00 O ATOM 948 CB LYS A 64 11.082 4.021 7.896 1.00 1.00 C ATOM 949 CG LYS A 64 12.273 3.646 8.780 1.00 1.00 C ATOM 950 CD LYS A 64 13.119 2.553 8.125 1.00 1.00 C ATOM 951 CE LYS A 64 14.429 3.126 7.580 1.00 1.00 C ATOM 952 NZ LYS A 64 14.843 2.401 6.358 1.00 1.00 N ATOM 0 H LYS A 64 9.248 3.263 5.866 1.00 1.00 H new ATOM 0 HA LYS A 64 10.651 1.977 8.156 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.439 4.359 6.923 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.540 4.854 8.344 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.888 4.528 8.961 1.00 1.00 H new ATOM 0 HG3 LYS A 64 11.916 3.302 9.751 1.00 1.00 H new ATOM 0 HD2 LYS A 64 13.335 1.770 8.852 1.00 1.00 H new ATOM 0 HD3 LYS A 64 12.556 2.089 7.315 1.00 1.00 H new ATOM 0 HE2 LYS A 64 14.304 4.186 7.357 1.00 1.00 H new ATOM 0 HE3 LYS A 64 15.209 3.050 8.337 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 15.734 2.802 6.001 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 14.982 1.395 6.582 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 14.105 2.496 5.631 1.00 1.00 H new ATOM 965 N CYS A 65 8.834 2.660 9.733 1.00 1.00 N ATOM 966 CA CYS A 65 7.641 2.756 10.556 1.00 1.00 C ATOM 967 C CYS A 65 7.141 4.201 10.510 1.00 1.00 C ATOM 968 O CYS A 65 5.943 4.443 10.373 1.00 1.00 O ATOM 969 CB CYS A 65 7.902 2.288 11.989 1.00 1.00 C ATOM 970 SG CYS A 65 8.984 0.819 12.130 1.00 1.00 S ATOM 0 H CYS A 65 9.665 2.331 10.224 1.00 1.00 H new ATOM 0 HA CYS A 65 6.871 2.093 10.162 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.352 3.108 12.548 1.00 1.00 H new ATOM 0 HB3 CYS A 65 6.946 2.065 12.463 1.00 1.00 H new ATOM 0 HG CYS A 65 9.139 0.513 13.384 1.00 1.00 H new ATOM 975 N GLY A 66 8.084 5.124 10.628 1.00 1.00 N ATOM 976 CA GLY A 66 7.754 6.539 10.602 1.00 1.00 C ATOM 977 C GLY A 66 7.683 7.059 9.164 1.00 1.00 C ATOM 978 O GLY A 66 7.686 8.268 8.937 1.00 1.00 O ATOM 0 H GLY A 66 9.077 4.920 10.742 1.00 1.00 H new ATOM 0 HA2 GLY A 66 6.798 6.702 11.099 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.503 7.101 11.159 1.00 1.00 H new ATOM 982 N GLU A 67 7.620 6.120 8.232 1.00 1.00 N ATOM 983 CA GLU A 67 7.548 6.468 6.823 1.00 1.00 C ATOM 984 C GLU A 67 6.187 6.070 6.247 1.00 1.00 C ATOM 985 O GLU A 67 5.899 6.341 5.082 1.00 1.00 O ATOM 986 CB GLU A 67 8.687 5.815 6.038 1.00 1.00 C ATOM 987 CG GLU A 67 9.525 6.868 5.310 1.00 1.00 C ATOM 988 CD GLU A 67 10.280 6.249 4.131 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.943 5.214 4.294 1.00 1.00 O ATOM 990 OE2 GLU A 67 10.159 6.882 3.014 1.00 1.00 O ATOM 0 H GLU A 67 7.617 5.118 8.425 1.00 1.00 H new ATOM 0 HA GLU A 67 7.659 7.548 6.730 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.322 5.246 6.717 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.278 5.108 5.316 1.00 1.00 H new ATOM 0 HG2 GLU A 67 8.878 7.669 4.952 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.234 7.318 6.005 1.00 1.00 H new ATOM 998 N CYS A 68 5.386 5.435 7.090 1.00 1.00 N ATOM 999 CA CYS A 68 4.063 4.998 6.679 1.00 1.00 C ATOM 1000 C CYS A 68 3.054 5.473 7.727 1.00 1.00 C ATOM 1001 O CYS A 68 2.138 6.231 7.413 1.00 1.00 O ATOM 1002 CB CYS A 68 4.005 3.483 6.477 1.00 1.00 C ATOM 1003 SG CYS A 68 3.904 3.093 4.692 1.00 1.00 S ATOM 0 H CYS A 68 5.628 5.213 8.056 1.00 1.00 H new ATOM 0 HA CYS A 68 3.816 5.437 5.712 1.00 1.00 H new ATOM 0 HB2 CYS A 68 4.889 3.016 6.910 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.140 3.071 6.997 1.00 1.00 H new ATOM 0 HG CYS A 68 3.858 1.804 4.531 1.00 1.00 H new ATOM 1008 N HIS A 69 3.255 5.006 8.950 1.00 1.00 N ATOM 1009 CA HIS A 69 2.375 5.373 10.046 1.00 1.00 C ATOM 1010 C HIS A 69 2.655 6.817 10.468 1.00 1.00 C ATOM 1011 O HIS A 69 3.666 7.094 11.113 1.00 1.00 O ATOM 1012 CB HIS A 69 2.504 4.381 11.203 1.00 1.00 C ATOM 1013 CG HIS A 69 2.148 2.960 10.837 1.00 1.00 C ATOM 1014 ND1 HIS A 69 0.845 2.544 10.626 1.00 1.00 N ATOM 1015 CD2 HIS A 69 2.938 1.865 10.645 1.00 1.00 C ATOM 1016 CE1 HIS A 69 0.862 1.255 10.323 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.159 0.835 10.336 1.00 1.00 N ATOM 0 H HIS A 69 4.015 4.376 9.206 1.00 1.00 H new ATOM 0 HA HIS A 69 1.337 5.323 9.716 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.528 4.404 11.575 1.00 1.00 H new ATOM 0 HB3 HIS A 69 1.861 4.707 12.021 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.013 3.130 10.693 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.014 1.840 10.730 1.00 1.00 H new ATOM 0 HE1 HIS A 69 -0.001 0.643 10.104 1.00 1.00 H new ATOM 1025 N LYS A 70 1.742 7.699 10.088 1.00 1.00 N ATOM 1026 CA LYS A 70 1.879 9.107 10.419 1.00 1.00 C ATOM 1027 C LYS A 70 0.490 9.716 10.621 1.00 1.00 C ATOM 1028 O LYS A 70 -0.283 9.836 9.671 1.00 1.00 O ATOM 1029 CB LYS A 70 2.719 9.827 9.363 1.00 1.00 C ATOM 1030 CG LYS A 70 2.724 11.338 9.603 1.00 1.00 C ATOM 1031 CD LYS A 70 3.815 11.731 10.602 1.00 1.00 C ATOM 1032 CE LYS A 70 5.144 11.988 9.889 1.00 1.00 C ATOM 1033 NZ LYS A 70 5.312 13.433 9.613 1.00 1.00 N ATOM 0 H LYS A 70 0.905 7.466 9.554 1.00 1.00 H new ATOM 0 HA LYS A 70 2.420 9.227 11.358 1.00 1.00 H new ATOM 0 HB2 LYS A 70 3.741 9.448 9.386 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.322 9.614 8.370 1.00 1.00 H new ATOM 0 HG2 LYS A 70 2.885 11.859 8.659 1.00 1.00 H new ATOM 0 HG3 LYS A 70 1.751 11.653 9.979 1.00 1.00 H new ATOM 0 HD2 LYS A 70 3.511 12.626 11.145 1.00 1.00 H new ATOM 0 HD3 LYS A 70 3.941 10.938 11.339 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.969 11.631 10.505 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.177 11.427 8.955 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 6.219 13.591 9.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.534 13.763 9.007 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 5.301 13.961 10.509 1.00 1.00 H new ATOM 1046 N LYS A 71 0.215 10.085 11.863 1.00 1.00 N ATOM 1047 CA LYS A 71 -1.068 10.679 12.201 1.00 1.00 C ATOM 1048 C LYS A 71 -1.270 11.950 11.374 1.00 1.00 C ATOM 1049 O LYS A 71 -2.180 12.019 10.549 1.00 1.00 O ATOM 1050 CB LYS A 71 -1.173 10.904 13.711 1.00 1.00 C ATOM 1051 CG LYS A 71 -2.211 11.981 14.034 1.00 1.00 C ATOM 1052 CD LYS A 71 -3.057 11.581 15.244 1.00 1.00 C ATOM 1053 CE LYS A 71 -4.537 11.485 14.871 1.00 1.00 C ATOM 1054 NZ LYS A 71 -4.943 10.070 14.719 1.00 1.00 N ATOM 0 H LYS A 71 0.858 9.984 12.648 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.882 10.000 11.946 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.447 9.971 14.203 1.00 1.00 H new ATOM 0 HB3 LYS A 71 -0.201 11.200 14.107 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.708 12.927 14.234 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.857 12.139 13.170 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -2.713 10.622 15.631 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.926 12.312 16.041 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -5.144 11.963 15.640 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -4.719 12.024 13.941 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -5.951 10.023 14.466 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -4.376 9.625 13.969 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -4.788 9.566 15.615 1.00 1.00 H new