USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 527 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= -3.35! C(o=-2.8!,f=-2.7!) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 0.544 K(o=-2.8,f=-12!) USER MOD Set 2.1: A 17 HIS : no HE2:sc= -0.994! C(o=-3.3!,f=-6.6!) USER MOD Set 2.2: A 21 GLN : amide:sc= -2.27 K(o=-3.3,f=-5.5!) USER MOD Set 2.3: A 31 HIS : no HD1:sc=-0.00181 X(o=-3.3,f=-3.3) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -0.521 K(o=0.23,f=-3.7!) USER MOD Set 3.2: A 55 HIS : no HE2:sc= 0.754 K(o=0.23,f=-3.8!) USER MOD Single : A 7 LYS NZ :NH3+ 154:sc= -0.0644 (180deg=-0.391) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0381 X(o=-0.038,f=-0.19) USER MOD Single : A 14 LYS NZ :NH3+ 163:sc= -0.154 (180deg=-0.254) 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 8:sc= 0.0413 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+ 161:sc= 0.414 (180deg=-0.0969) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0279 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 CYS SG : rot 180:sc= 0 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= 0.14 USER MOD Single : A 68 CYS SG : rot 180:sc= -0.0977 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 3.931 11.348 4.861 1.00 0.00 N ATOM 12 CA ASP A 2 3.311 10.035 4.923 1.00 0.00 C ATOM 13 C ASP A 2 2.277 9.911 3.802 1.00 0.00 C ATOM 14 O ASP A 2 2.200 8.880 3.136 1.00 0.00 O ATOM 15 CB ASP A 2 2.589 9.830 6.257 1.00 0.00 C ATOM 16 CG ASP A 2 2.894 10.881 7.326 1.00 0.00 C ATOM 17 OD1 ASP A 2 1.990 11.574 7.816 1.00 0.00 O ATOM 18 OD2 ASP A 2 4.137 10.976 7.658 1.00 0.00 O ATOM 0 HA ASP A 2 4.096 9.286 4.818 1.00 0.00 H new ATOM 0 HB2 ASP A 2 1.515 9.821 6.074 1.00 0.00 H new ATOM 0 HB3 ASP A 2 2.853 8.848 6.649 1.00 0.00 H new ATOM 24 N ASP A 3 1.508 10.976 3.629 1.00 0.00 N ATOM 25 CA ASP A 3 0.483 10.999 2.600 1.00 0.00 C ATOM 26 C ASP A 3 1.141 10.852 1.226 1.00 0.00 C ATOM 27 O ASP A 3 1.906 11.718 0.805 1.00 0.00 O ATOM 28 CB ASP A 3 -0.285 12.322 2.617 1.00 0.00 C ATOM 29 CG ASP A 3 -0.261 13.067 3.953 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.214 12.994 4.743 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.808 13.755 4.174 1.00 0.00 O ATOM 0 H ASP A 3 1.574 11.829 4.184 1.00 0.00 H new ATOM 0 HA ASP A 3 -0.208 10.178 2.794 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.128 12.974 1.847 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -1.322 12.126 2.346 1.00 0.00 H new ATOM 37 N ILE A 4 0.819 9.749 0.567 1.00 0.00 N ATOM 38 CA ILE A 4 1.370 9.477 -0.750 1.00 0.00 C ATOM 39 C ILE A 4 0.235 9.097 -1.704 1.00 0.00 C ATOM 40 O ILE A 4 -0.569 8.218 -1.398 1.00 0.00 O ATOM 41 CB ILE A 4 2.477 8.426 -0.662 1.00 0.00 C ATOM 42 CG1 ILE A 4 3.621 8.908 0.233 1.00 0.00 C ATOM 43 CG2 ILE A 4 2.968 8.027 -2.055 1.00 0.00 C ATOM 44 CD1 ILE A 4 4.706 7.836 0.362 1.00 0.00 C ATOM 0 H ILE A 4 0.184 9.033 0.920 1.00 0.00 H new ATOM 0 HA ILE A 4 1.844 10.371 -1.157 1.00 0.00 H new ATOM 0 HB ILE A 4 2.061 7.531 -0.199 1.00 0.00 H new ATOM 0 HG12 ILE A 4 4.053 9.819 -0.181 1.00 0.00 H new ATOM 0 HG13 ILE A 4 3.234 9.159 1.220 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.755 7.278 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 4 2.139 7.613 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.361 8.905 -2.568 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.507 8.204 1.003 1.00 0.00 H new ATOM 0 HD12 ILE A 4 4.277 6.935 0.799 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.108 7.605 -0.624 1.00 0.00 H new ATOM 56 N VAL A 5 0.207 9.777 -2.840 1.00 0.00 N ATOM 57 CA VAL A 5 -0.815 9.521 -3.841 1.00 0.00 C ATOM 58 C VAL A 5 -0.234 8.633 -4.942 1.00 0.00 C ATOM 59 O VAL A 5 0.749 8.998 -5.585 1.00 0.00 O ATOM 60 CB VAL A 5 -1.371 10.845 -4.371 1.00 0.00 C ATOM 61 CG1 VAL A 5 -2.387 10.604 -5.489 1.00 0.00 C ATOM 62 CG2 VAL A 5 -1.985 11.674 -3.241 1.00 0.00 C ATOM 0 H VAL A 5 0.876 10.505 -3.090 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.655 8.984 -3.401 1.00 0.00 H new ATOM 0 HB VAL A 5 -0.541 11.414 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -2.767 11.561 -5.848 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.905 10.074 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.214 10.006 -5.106 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.372 12.609 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.798 11.114 -2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.223 11.890 -2.493 1.00 0.00 H new ATOM 72 N LEU A 6 -0.866 7.483 -5.125 1.00 0.00 N ATOM 73 CA LEU A 6 -0.424 6.539 -6.138 1.00 0.00 C ATOM 74 C LEU A 6 -1.290 6.697 -7.389 1.00 0.00 C ATOM 75 O LEU A 6 -2.348 6.079 -7.498 1.00 0.00 O ATOM 76 CB LEU A 6 -0.410 5.116 -5.575 1.00 0.00 C ATOM 77 CG LEU A 6 0.541 4.867 -4.403 1.00 0.00 C ATOM 78 CD1 LEU A 6 0.250 3.521 -3.737 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.001 4.984 -4.847 1.00 0.00 C ATOM 0 H LEU A 6 -1.681 7.183 -4.589 1.00 0.00 H new ATOM 0 HA LEU A 6 0.604 6.750 -6.433 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.421 4.863 -5.256 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.149 4.430 -6.381 1.00 0.00 H new ATOM 0 HG LEU A 6 0.370 5.640 -3.654 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.940 3.369 -2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.774 3.514 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.376 2.720 -4.465 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.656 4.803 -3.995 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.205 4.248 -5.625 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.183 5.985 -5.238 1.00 0.00 H new ATOM 91 N LYS A 7 -0.809 7.528 -8.302 1.00 0.00 N ATOM 92 CA LYS A 7 -1.526 7.775 -9.541 1.00 0.00 C ATOM 93 C LYS A 7 -1.964 6.440 -10.147 1.00 0.00 C ATOM 94 O LYS A 7 -1.182 5.492 -10.198 1.00 0.00 O ATOM 95 CB LYS A 7 -0.682 8.632 -10.487 1.00 0.00 C ATOM 96 CG LYS A 7 0.475 7.823 -11.075 1.00 0.00 C ATOM 97 CD LYS A 7 1.810 8.540 -10.862 1.00 0.00 C ATOM 98 CE LYS A 7 2.588 7.917 -9.701 1.00 0.00 C ATOM 99 NZ LYS A 7 3.040 6.552 -10.054 1.00 0.00 N ATOM 0 H LYS A 7 0.069 8.039 -8.208 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.431 8.351 -9.349 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -1.308 9.015 -11.292 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.290 9.495 -9.949 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.509 6.838 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.309 7.666 -12.141 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.405 8.486 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.631 9.596 -10.660 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.449 8.540 -9.456 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.958 7.880 -8.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 3.889 6.314 -9.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.285 5.870 -9.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 3.264 6.512 -11.069 1.00 0.00 H new ATOM 112 N ALA A 8 -3.212 6.409 -10.591 1.00 0.00 N ATOM 113 CA ALA A 8 -3.763 5.206 -11.191 1.00 0.00 C ATOM 114 C ALA A 8 -4.733 5.597 -12.308 1.00 0.00 C ATOM 115 O ALA A 8 -5.477 6.568 -12.178 1.00 0.00 O ATOM 116 CB ALA A 8 -4.431 4.356 -10.109 1.00 0.00 C ATOM 0 H ALA A 8 -3.857 7.198 -10.547 1.00 0.00 H new ATOM 0 HA ALA A 8 -2.973 4.603 -11.637 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.844 3.453 -10.559 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -3.693 4.081 -9.356 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.232 4.927 -9.640 1.00 0.00 H new ATOM 122 N LYS A 9 -4.693 4.821 -13.381 1.00 0.00 N ATOM 123 CA LYS A 9 -5.559 5.074 -14.520 1.00 0.00 C ATOM 124 C LYS A 9 -6.967 4.561 -14.209 1.00 0.00 C ATOM 125 O LYS A 9 -7.856 4.624 -15.056 1.00 0.00 O ATOM 126 CB LYS A 9 -4.956 4.479 -15.794 1.00 0.00 C ATOM 127 CG LYS A 9 -4.999 2.950 -15.760 1.00 0.00 C ATOM 128 CD LYS A 9 -5.142 2.374 -17.170 1.00 0.00 C ATOM 129 CE LYS A 9 -6.312 1.391 -17.243 1.00 0.00 C ATOM 130 NZ LYS A 9 -7.128 1.646 -18.452 1.00 0.00 N ATOM 0 H LYS A 9 -4.074 4.017 -13.486 1.00 0.00 H new ATOM 0 HA LYS A 9 -5.643 6.145 -14.704 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -5.504 4.842 -16.664 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.925 4.815 -15.904 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -4.089 2.567 -15.298 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -5.834 2.620 -15.142 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -5.297 3.183 -17.884 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.219 1.869 -17.456 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.935 0.368 -17.260 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -6.932 1.487 -16.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -7.918 0.970 -18.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -7.503 2.616 -18.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.537 1.531 -19.300 1.00 0.00 H new ATOM 143 N ASN A 10 -7.125 4.065 -12.991 1.00 0.00 N ATOM 144 CA ASN A 10 -8.409 3.541 -12.557 1.00 0.00 C ATOM 145 C ASN A 10 -8.768 4.145 -11.198 1.00 0.00 C ATOM 146 O ASN A 10 -9.469 3.521 -10.403 1.00 0.00 O ATOM 147 CB ASN A 10 -8.359 2.020 -12.400 1.00 0.00 C ATOM 148 CG ASN A 10 -9.639 1.372 -12.933 1.00 0.00 C ATOM 149 OD1 ASN A 10 -10.076 1.622 -14.044 1.00 0.00 O ATOM 150 ND2 ASN A 10 -10.213 0.528 -12.080 1.00 0.00 N ATOM 0 H ASN A 10 -6.385 4.015 -12.291 1.00 0.00 H new ATOM 0 HA ASN A 10 -9.152 3.801 -13.311 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.496 1.624 -12.935 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -8.227 1.763 -11.349 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -11.072 0.044 -12.341 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -9.794 0.364 -11.165 1.00 0.00 H new ATOM 157 N GLY A 11 -8.272 5.353 -10.973 1.00 0.00 N ATOM 158 CA GLY A 11 -8.532 6.048 -9.724 1.00 0.00 C ATOM 159 C GLY A 11 -7.306 6.010 -8.809 1.00 0.00 C ATOM 160 O GLY A 11 -6.838 4.935 -8.437 1.00 0.00 O ATOM 0 H GLY A 11 -7.691 5.868 -11.635 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.805 7.083 -9.930 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.382 5.589 -9.219 1.00 0.00 H new ATOM 164 N ASP A 12 -6.820 7.196 -8.475 1.00 0.00 N ATOM 165 CA ASP A 12 -5.657 7.312 -7.611 1.00 0.00 C ATOM 166 C ASP A 12 -5.929 6.580 -6.296 1.00 0.00 C ATOM 167 O ASP A 12 -7.082 6.397 -5.910 1.00 0.00 O ATOM 168 CB ASP A 12 -5.358 8.776 -7.284 1.00 0.00 C ATOM 169 CG ASP A 12 -6.416 9.478 -6.430 1.00 0.00 C ATOM 170 OD1 ASP A 12 -7.379 8.851 -5.965 1.00 0.00 O ATOM 171 OD2 ASP A 12 -6.220 10.739 -6.246 1.00 0.00 O ATOM 0 H ASP A 12 -7.210 8.085 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 12 -4.804 6.878 -8.133 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -4.401 8.828 -6.765 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.244 9.325 -8.219 1.00 0.00 H new ATOM 177 N VAL A 13 -4.847 6.180 -5.643 1.00 0.00 N ATOM 178 CA VAL A 13 -4.955 5.471 -4.379 1.00 0.00 C ATOM 179 C VAL A 13 -4.253 6.279 -3.286 1.00 0.00 C ATOM 180 O VAL A 13 -3.059 6.557 -3.384 1.00 0.00 O ATOM 181 CB VAL A 13 -4.399 4.054 -4.525 1.00 0.00 C ATOM 182 CG1 VAL A 13 -4.538 3.273 -3.217 1.00 0.00 C ATOM 183 CG2 VAL A 13 -5.078 3.315 -5.680 1.00 0.00 C ATOM 0 H VAL A 13 -3.892 6.333 -5.966 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.000 5.367 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.337 4.133 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -4.135 2.269 -3.348 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.987 3.785 -2.428 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -5.591 3.208 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -4.664 2.310 -5.762 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -6.150 3.252 -5.492 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.904 3.856 -6.610 1.00 0.00 H new ATOM 193 N LYS A 14 -5.024 6.633 -2.268 1.00 0.00 N ATOM 194 CA LYS A 14 -4.491 7.403 -1.157 1.00 0.00 C ATOM 195 C LYS A 14 -3.882 6.450 -0.127 1.00 0.00 C ATOM 196 O LYS A 14 -4.606 5.769 0.598 1.00 0.00 O ATOM 197 CB LYS A 14 -5.566 8.326 -0.581 1.00 0.00 C ATOM 198 CG LYS A 14 -4.946 9.394 0.322 1.00 0.00 C ATOM 199 CD LYS A 14 -4.293 8.760 1.552 1.00 0.00 C ATOM 200 CE LYS A 14 -4.208 9.762 2.705 1.00 0.00 C ATOM 201 NZ LYS A 14 -2.805 9.925 3.148 1.00 0.00 N ATOM 0 H LYS A 14 -6.014 6.401 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.690 8.059 -1.497 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -6.113 8.805 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.288 7.739 -0.013 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.202 9.961 -0.237 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.714 10.100 0.637 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -4.868 7.888 1.865 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.293 8.408 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.610 10.725 2.388 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.821 9.419 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.718 10.794 3.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.526 9.107 3.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.184 9.989 2.317 1.00 0.00 H new ATOM 214 N PHE A 15 -2.558 6.431 -0.096 1.00 0.00 N ATOM 215 CA PHE A 15 -1.844 5.572 0.834 1.00 0.00 C ATOM 216 C PHE A 15 -1.238 6.387 1.978 1.00 0.00 C ATOM 217 O PHE A 15 -0.461 7.318 1.777 1.00 0.00 O ATOM 218 CB PHE A 15 -0.715 4.903 0.047 1.00 0.00 C ATOM 219 CG PHE A 15 0.188 4.006 0.896 1.00 0.00 C ATOM 220 CD1 PHE A 15 -0.353 3.002 1.636 1.00 0.00 C ATOM 221 CD2 PHE A 15 1.533 4.212 0.909 1.00 0.00 C ATOM 222 CE1 PHE A 15 0.485 2.169 2.424 1.00 0.00 C ATOM 223 CE2 PHE A 15 2.371 3.379 1.697 1.00 0.00 C ATOM 224 CZ PHE A 15 1.829 2.375 2.438 1.00 0.00 C ATOM 0 H PHE A 15 -1.961 6.996 -0.699 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.528 4.842 1.266 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -1.149 4.308 -0.757 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -0.105 5.675 -0.422 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -1.420 2.838 1.625 1.00 0.00 H new ATOM 0 HD2 PHE A 15 1.963 5.009 0.320 1.00 0.00 H new ATOM 0 HE1 PHE A 15 0.055 1.372 3.012 1.00 0.00 H new ATOM 0 HE2 PHE A 15 3.438 3.543 1.708 1.00 0.00 H new ATOM 0 HZ PHE A 15 2.466 1.742 3.037 1.00 0.00 H new ATOM 234 N PRO A 16 -1.618 6.010 3.201 1.00 0.00 N ATOM 235 CA PRO A 16 -1.168 6.638 4.425 1.00 0.00 C ATOM 236 C PRO A 16 0.140 6.004 4.874 1.00 0.00 C ATOM 237 O PRO A 16 0.102 4.974 5.546 1.00 0.00 O ATOM 238 CB PRO A 16 -2.282 6.369 5.435 1.00 0.00 C ATOM 239 CG PRO A 16 -2.790 4.990 4.977 1.00 0.00 C ATOM 240 CD PRO A 16 -2.530 4.920 3.474 1.00 0.00 C ATOM 0 HA PRO A 16 -0.980 7.706 4.310 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -1.910 6.349 6.459 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.064 7.128 5.394 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.268 4.189 5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -3.852 4.874 5.195 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.095 3.961 3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.455 5.028 2.908 1.00 0.00 H new ATOM 248 N HIS A 17 1.255 6.615 4.501 1.00 0.00 N ATOM 249 CA HIS A 17 2.557 6.091 4.875 1.00 0.00 C ATOM 250 C HIS A 17 2.880 6.497 6.315 1.00 0.00 C ATOM 251 O HIS A 17 3.973 6.986 6.595 1.00 0.00 O ATOM 252 CB HIS A 17 3.629 6.537 3.879 1.00 0.00 C ATOM 253 CG HIS A 17 4.985 5.916 4.117 1.00 0.00 C ATOM 254 ND1 HIS A 17 5.845 6.351 5.110 1.00 0.00 N ATOM 255 CD2 HIS A 17 5.619 4.890 3.481 1.00 0.00 C ATOM 256 CE1 HIS A 17 6.945 5.613 5.064 1.00 0.00 C ATOM 257 NE2 HIS A 17 6.803 4.708 4.054 1.00 0.00 N ATOM 0 H HIS A 17 1.283 7.469 3.943 1.00 0.00 H new ATOM 0 HA HIS A 17 2.539 5.002 4.837 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.299 6.289 2.870 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.724 7.622 3.925 1.00 0.00 H new ATOM 0 HD1 HIS A 17 5.663 7.111 5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.225 4.322 2.652 1.00 0.00 H new ATOM 0 HE1 HIS A 17 7.803 5.711 5.713 1.00 0.00 H new ATOM 265 N LYS A 18 1.908 6.280 7.189 1.00 0.00 N ATOM 266 CA LYS A 18 2.075 6.617 8.592 1.00 0.00 C ATOM 267 C LYS A 18 1.503 5.489 9.454 1.00 0.00 C ATOM 268 O LYS A 18 2.250 4.775 10.122 1.00 0.00 O ATOM 269 CB LYS A 18 1.464 7.988 8.890 1.00 0.00 C ATOM 270 CG LYS A 18 1.404 8.246 10.397 1.00 0.00 C ATOM 271 CD LYS A 18 2.580 9.113 10.851 1.00 0.00 C ATOM 272 CE LYS A 18 2.155 10.074 11.964 1.00 0.00 C ATOM 273 NZ LYS A 18 1.680 11.353 11.391 1.00 0.00 N ATOM 0 H LYS A 18 1.002 5.875 6.952 1.00 0.00 H new ATOM 0 HA LYS A 18 3.133 6.704 8.840 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.055 8.766 8.408 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.461 8.042 8.468 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.465 8.740 10.648 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.419 7.297 10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 18 3.391 8.476 11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.967 9.680 10.004 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.364 9.621 12.562 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.995 10.258 12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.396 11.993 12.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.445 11.792 10.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.865 11.174 10.770 1.00 0.00 H new ATOM 286 N ALA A 19 0.185 5.365 9.412 1.00 0.00 N ATOM 287 CA ALA A 19 -0.495 4.336 10.181 1.00 0.00 C ATOM 288 C ALA A 19 0.119 2.973 9.856 1.00 0.00 C ATOM 289 O ALA A 19 0.041 2.045 10.660 1.00 0.00 O ATOM 290 CB ALA A 19 -1.995 4.386 9.886 1.00 0.00 C ATOM 0 H ALA A 19 -0.431 5.960 8.858 1.00 0.00 H new ATOM 0 HA ALA A 19 -0.367 4.508 11.250 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -2.505 3.614 10.463 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.388 5.365 10.162 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -2.163 4.215 8.823 1.00 0.00 H new ATOM 296 N HIS A 20 0.716 2.895 8.676 1.00 0.00 N ATOM 297 CA HIS A 20 1.343 1.661 8.234 1.00 0.00 C ATOM 298 C HIS A 20 2.692 1.490 8.936 1.00 0.00 C ATOM 299 O HIS A 20 3.396 0.508 8.706 1.00 0.00 O ATOM 300 CB HIS A 20 1.460 1.626 6.709 1.00 0.00 C ATOM 301 CG HIS A 20 0.168 1.293 6.002 1.00 0.00 C ATOM 302 ND1 HIS A 20 -0.747 2.258 5.618 1.00 0.00 N ATOM 303 CD2 HIS A 20 -0.352 0.094 5.612 1.00 0.00 C ATOM 304 CE1 HIS A 20 -1.767 1.656 5.026 1.00 0.00 C ATOM 305 NE2 HIS A 20 -1.521 0.314 5.024 1.00 0.00 N ATOM 0 H HIS A 20 0.779 3.667 8.012 1.00 0.00 H new ATOM 0 HA HIS A 20 0.718 0.812 8.512 1.00 0.00 H new ATOM 0 HB2 HIS A 20 1.814 2.596 6.360 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.215 0.891 6.429 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -0.652 3.263 5.766 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.110 -0.871 5.757 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -2.640 2.142 4.617 1.00 0.00 H new ATOM 313 N GLN A 21 3.011 2.462 9.779 1.00 0.00 N ATOM 314 CA GLN A 21 4.263 2.432 10.516 1.00 0.00 C ATOM 315 C GLN A 21 4.048 1.821 11.902 1.00 0.00 C ATOM 316 O GLN A 21 4.730 0.869 12.278 1.00 0.00 O ATOM 317 CB GLN A 21 4.871 3.832 10.621 1.00 0.00 C ATOM 318 CG GLN A 21 5.241 4.374 9.240 1.00 0.00 C ATOM 319 CD GLN A 21 5.430 5.892 9.279 1.00 0.00 C ATOM 320 OE1 GLN A 21 4.885 6.589 10.119 1.00 0.00 O ATOM 321 NE2 GLN A 21 6.228 6.363 8.325 1.00 0.00 N ATOM 0 H GLN A 21 2.424 3.275 9.968 1.00 0.00 H new ATOM 0 HA GLN A 21 4.969 1.806 9.970 1.00 0.00 H new ATOM 0 HB2 GLN A 21 4.161 4.505 11.102 1.00 0.00 H new ATOM 0 HB3 GLN A 21 5.759 3.800 11.253 1.00 0.00 H new ATOM 0 HG2 GLN A 21 6.158 3.899 8.893 1.00 0.00 H new ATOM 0 HG3 GLN A 21 4.459 4.120 8.524 1.00 0.00 H new ATOM 0 HE21 GLN A 21 6.652 5.723 7.653 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.416 7.364 8.265 1.00 0.00 H new ATOM 330 N LYS A 22 3.096 2.394 12.625 1.00 0.00 N ATOM 331 CA LYS A 22 2.783 1.918 13.962 1.00 0.00 C ATOM 332 C LYS A 22 2.163 0.522 13.869 1.00 0.00 C ATOM 333 O LYS A 22 2.251 -0.263 14.811 1.00 0.00 O ATOM 334 CB LYS A 22 1.906 2.932 14.699 1.00 0.00 C ATOM 335 CG LYS A 22 2.713 4.172 15.091 1.00 0.00 C ATOM 336 CD LYS A 22 3.143 4.105 16.558 1.00 0.00 C ATOM 337 CE LYS A 22 2.742 5.379 17.305 1.00 0.00 C ATOM 338 NZ LYS A 22 3.565 6.524 16.857 1.00 0.00 N ATOM 0 H LYS A 22 2.532 3.183 12.310 1.00 0.00 H new ATOM 0 HA LYS A 22 3.692 1.825 14.556 1.00 0.00 H new ATOM 0 HB2 LYS A 22 1.069 3.224 14.064 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.483 2.472 15.592 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.593 4.254 14.454 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.114 5.068 14.924 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.685 3.239 17.036 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.223 3.968 16.618 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.687 5.592 17.132 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.866 5.233 18.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 3.280 7.380 17.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.568 6.325 17.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.426 6.673 15.837 1.00 0.00 H new ATOM 351 N ALA A 23 1.551 0.256 12.725 1.00 0.00 N ATOM 352 CA ALA A 23 0.917 -1.031 12.497 1.00 0.00 C ATOM 353 C ALA A 23 1.972 -2.041 12.043 1.00 0.00 C ATOM 354 O ALA A 23 1.828 -3.241 12.272 1.00 0.00 O ATOM 355 CB ALA A 23 -0.213 -0.871 11.478 1.00 0.00 C ATOM 0 H ALA A 23 1.481 0.910 11.946 1.00 0.00 H new ATOM 0 HA ALA A 23 0.474 -1.409 13.418 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.688 -1.837 11.307 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.951 -0.166 11.861 1.00 0.00 H new ATOM 0 HB3 ALA A 23 0.194 -0.496 10.539 1.00 0.00 H new ATOM 361 N VAL A 24 3.010 -1.519 11.406 1.00 0.00 N ATOM 362 CA VAL A 24 4.089 -2.360 10.918 1.00 0.00 C ATOM 363 C VAL A 24 5.426 -1.649 11.143 1.00 0.00 C ATOM 364 O VAL A 24 6.151 -1.312 10.210 1.00 0.00 O ATOM 365 CB VAL A 24 3.846 -2.725 9.452 1.00 0.00 C ATOM 366 CG1 VAL A 24 4.947 -3.648 8.927 1.00 0.00 C ATOM 367 CG2 VAL A 24 2.465 -3.358 9.267 1.00 0.00 C ATOM 0 H VAL A 24 3.126 -0.524 11.217 1.00 0.00 H new ATOM 0 HA VAL A 24 4.122 -3.298 11.472 1.00 0.00 H new ATOM 0 HB VAL A 24 3.874 -1.805 8.868 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.750 -3.892 7.883 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.911 -3.146 9.007 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.965 -4.565 9.517 1.00 0.00 H new ATOM 0 HG21 VAL A 24 2.317 -3.608 8.216 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.397 -4.264 9.869 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.696 -2.653 9.584 1.00 0.00 H new ATOM 377 N PRO A 25 5.738 -1.427 12.422 1.00 0.00 N ATOM 378 CA PRO A 25 6.951 -0.773 12.863 1.00 0.00 C ATOM 379 C PRO A 25 8.127 -1.260 12.028 1.00 0.00 C ATOM 380 O PRO A 25 9.098 -0.520 11.880 1.00 0.00 O ATOM 381 CB PRO A 25 7.109 -1.187 14.325 1.00 0.00 C ATOM 382 CG PRO A 25 5.666 -1.324 14.777 1.00 0.00 C ATOM 383 CD PRO A 25 4.909 -1.810 13.544 1.00 0.00 C ATOM 0 HA PRO A 25 6.912 0.311 12.755 1.00 0.00 H new ATOM 0 HB2 PRO A 25 7.658 -2.123 14.426 1.00 0.00 H new ATOM 0 HB3 PRO A 25 7.648 -0.437 14.905 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.576 -2.033 15.600 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.272 -0.372 15.132 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.758 -2.889 13.573 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.922 -1.352 13.480 1.00 0.00 H new ATOM 391 N ASP A 26 8.023 -2.475 11.508 1.00 0.00 N ATOM 392 CA ASP A 26 9.090 -3.035 10.696 1.00 0.00 C ATOM 393 C ASP A 26 9.017 -2.444 9.287 1.00 0.00 C ATOM 394 O ASP A 26 8.059 -2.688 8.557 1.00 0.00 O ATOM 395 CB ASP A 26 8.954 -4.554 10.579 1.00 0.00 C ATOM 396 CG ASP A 26 10.021 -5.235 9.720 1.00 0.00 C ATOM 397 OD1 ASP A 26 10.904 -4.573 9.155 1.00 0.00 O ATOM 398 OD2 ASP A 26 9.919 -6.519 9.641 1.00 0.00 O ATOM 0 H ASP A 26 7.216 -3.087 11.633 1.00 0.00 H new ATOM 0 HA ASP A 26 10.039 -2.794 11.174 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.986 -4.985 11.580 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.973 -4.785 10.164 1.00 0.00 H new ATOM 404 N CYS A 27 10.043 -1.677 8.948 1.00 0.00 N ATOM 405 CA CYS A 27 10.108 -1.049 7.639 1.00 0.00 C ATOM 406 C CYS A 27 10.720 -2.049 6.656 1.00 0.00 C ATOM 407 O CYS A 27 10.605 -1.882 5.443 1.00 0.00 O ATOM 408 CB CYS A 27 10.892 0.264 7.680 1.00 0.00 C ATOM 409 SG CYS A 27 10.689 1.231 9.220 1.00 0.00 S ATOM 0 H CYS A 27 10.836 -1.476 9.557 1.00 0.00 H new ATOM 0 HA CYS A 27 9.103 -0.786 7.309 1.00 0.00 H new ATOM 0 HB2 CYS A 27 11.951 0.043 7.543 1.00 0.00 H new ATOM 0 HB3 CYS A 27 10.584 0.882 6.836 1.00 0.00 H new ATOM 0 HG CYS A 27 10.024 0.529 10.089 1.00 0.00 H new ATOM 414 N LYS A 28 11.357 -3.067 7.216 1.00 0.00 N ATOM 415 CA LYS A 28 11.987 -4.094 6.404 1.00 0.00 C ATOM 416 C LYS A 28 10.911 -5.025 5.842 1.00 0.00 C ATOM 417 O LYS A 28 11.207 -5.910 5.041 1.00 0.00 O ATOM 418 CB LYS A 28 13.071 -4.819 7.203 1.00 0.00 C ATOM 419 CG LYS A 28 14.106 -3.831 7.746 1.00 0.00 C ATOM 420 CD LYS A 28 15.511 -4.435 7.713 1.00 0.00 C ATOM 421 CE LYS A 28 15.907 -4.978 9.087 1.00 0.00 C ATOM 422 NZ LYS A 28 15.724 -6.446 9.137 1.00 0.00 N ATOM 0 H LYS A 28 11.450 -3.202 8.223 1.00 0.00 H new ATOM 0 HA LYS A 28 12.498 -3.646 5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 28 12.615 -5.364 8.029 1.00 0.00 H new ATOM 0 HB3 LYS A 28 13.564 -5.556 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 28 14.086 -2.916 7.154 1.00 0.00 H new ATOM 0 HG3 LYS A 28 13.849 -3.555 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 28 15.548 -5.238 6.976 1.00 0.00 H new ATOM 0 HD3 LYS A 28 16.229 -3.678 7.397 1.00 0.00 H new ATOM 0 HE2 LYS A 28 16.947 -4.728 9.297 1.00 0.00 H new ATOM 0 HE3 LYS A 28 15.302 -4.504 9.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.997 -6.798 10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 14.726 -6.678 8.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 16.320 -6.895 8.412 1.00 0.00 H new ATOM 435 N LYS A 29 9.683 -4.794 6.284 1.00 0.00 N ATOM 436 CA LYS A 29 8.562 -5.601 5.835 1.00 0.00 C ATOM 437 C LYS A 29 8.316 -5.343 4.347 1.00 0.00 C ATOM 438 O LYS A 29 8.247 -6.280 3.554 1.00 0.00 O ATOM 439 CB LYS A 29 7.334 -5.348 6.713 1.00 0.00 C ATOM 440 CG LYS A 29 7.213 -6.414 7.804 1.00 0.00 C ATOM 441 CD LYS A 29 6.758 -7.751 7.216 1.00 0.00 C ATOM 442 CE LYS A 29 5.709 -8.415 8.111 1.00 0.00 C ATOM 443 NZ LYS A 29 5.297 -9.720 7.546 1.00 0.00 N ATOM 0 H LYS A 29 9.440 -4.059 6.949 1.00 0.00 H new ATOM 0 HA LYS A 29 8.790 -6.662 5.942 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.406 -4.361 7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.435 -5.349 6.097 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.174 -6.540 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.502 -6.085 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.344 -7.592 6.220 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.616 -8.413 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.115 -8.557 9.113 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.840 -7.764 8.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.585 -10.157 8.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.891 -9.576 6.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.125 -10.345 7.476 1.00 0.00 H new ATOM 456 N CYS A 30 8.193 -4.066 4.013 1.00 0.00 N ATOM 457 CA CYS A 30 7.957 -3.673 2.634 1.00 0.00 C ATOM 458 C CYS A 30 9.303 -3.318 1.999 1.00 0.00 C ATOM 459 O CYS A 30 9.656 -3.849 0.948 1.00 0.00 O ATOM 460 CB CYS A 30 6.958 -2.518 2.538 1.00 0.00 C ATOM 461 SG CYS A 30 5.548 -2.815 3.667 1.00 0.00 S ATOM 0 H CYS A 30 8.252 -3.291 4.673 1.00 0.00 H new ATOM 0 HA CYS A 30 7.506 -4.502 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 30 7.449 -1.579 2.795 1.00 0.00 H new ATOM 0 HB3 CYS A 30 6.600 -2.420 1.513 1.00 0.00 H new ATOM 0 HG CYS A 30 4.707 -1.828 3.580 1.00 0.00 H new ATOM 466 N HIS A 31 10.016 -2.421 2.664 1.00 0.00 N ATOM 467 CA HIS A 31 11.315 -1.988 2.178 1.00 0.00 C ATOM 468 C HIS A 31 12.330 -3.121 2.348 1.00 0.00 C ATOM 469 O HIS A 31 12.810 -3.368 3.453 1.00 0.00 O ATOM 470 CB HIS A 31 11.750 -0.694 2.868 1.00 0.00 C ATOM 471 CG HIS A 31 10.818 0.470 2.633 1.00 0.00 C ATOM 472 ND1 HIS A 31 10.598 1.013 1.379 1.00 0.00 N ATOM 473 CD2 HIS A 31 10.052 1.188 3.503 1.00 0.00 C ATOM 474 CE1 HIS A 31 9.737 2.013 1.501 1.00 0.00 C ATOM 475 NE2 HIS A 31 9.400 2.120 2.819 1.00 0.00 N ATOM 0 H HIS A 31 9.719 -1.982 3.535 1.00 0.00 H new ATOM 0 HA HIS A 31 11.252 -1.760 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 31 11.827 -0.874 3.940 1.00 0.00 H new ATOM 0 HB3 HIS A 31 12.747 -0.425 2.518 1.00 0.00 H new ATOM 0 HD2 HIS A 31 9.987 1.026 4.569 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.367 2.634 0.699 1.00 0.00 H new ATOM 0 HE2 HIS A 31 8.754 2.803 3.213 1.00 0.00 H new ATOM 483 N GLU A 32 12.627 -3.778 1.237 1.00 0.00 N ATOM 484 CA GLU A 32 13.576 -4.878 1.249 1.00 0.00 C ATOM 485 C GLU A 32 15.007 -4.346 1.150 1.00 0.00 C ATOM 486 O GLU A 32 15.868 -4.719 1.946 1.00 0.00 O ATOM 487 CB GLU A 32 13.281 -5.869 0.121 1.00 0.00 C ATOM 488 CG GLU A 32 12.455 -7.052 0.632 1.00 0.00 C ATOM 489 CD GLU A 32 13.238 -8.361 0.510 1.00 0.00 C ATOM 490 OE1 GLU A 32 12.803 -9.279 -0.200 1.00 0.00 O ATOM 491 OE2 GLU A 32 14.336 -8.404 1.186 1.00 0.00 O ATOM 0 H GLU A 32 12.227 -3.570 0.322 1.00 0.00 H new ATOM 0 HA GLU A 32 13.472 -5.411 2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.742 -5.364 -0.680 1.00 0.00 H new ATOM 0 HB3 GLU A 32 14.217 -6.231 -0.304 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.179 -6.885 1.673 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.527 -7.125 0.064 1.00 0.00 H new ATOM 499 N LYS A 33 15.217 -3.483 0.167 1.00 0.00 N ATOM 500 CA LYS A 33 16.529 -2.896 -0.046 1.00 0.00 C ATOM 501 C LYS A 33 16.625 -1.580 0.728 1.00 0.00 C ATOM 502 O LYS A 33 17.320 -0.657 0.306 1.00 0.00 O ATOM 503 CB LYS A 33 16.815 -2.752 -1.542 1.00 0.00 C ATOM 504 CG LYS A 33 16.862 -4.120 -2.226 1.00 0.00 C ATOM 505 CD LYS A 33 18.090 -4.239 -3.130 1.00 0.00 C ATOM 506 CE LYS A 33 18.000 -5.485 -4.015 1.00 0.00 C ATOM 507 NZ LYS A 33 16.922 -5.332 -5.017 1.00 0.00 N ATOM 0 H LYS A 33 14.501 -3.176 -0.491 1.00 0.00 H new ATOM 0 HA LYS A 33 17.308 -3.552 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 33 16.044 -2.136 -2.005 1.00 0.00 H new ATOM 0 HB3 LYS A 33 17.765 -2.237 -1.686 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.883 -4.907 -1.472 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.957 -4.267 -2.815 1.00 0.00 H new ATOM 0 HD2 LYS A 33 18.174 -3.350 -3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 33 18.992 -4.286 -2.520 1.00 0.00 H new ATOM 0 HE2 LYS A 33 18.952 -5.650 -4.519 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.809 -6.363 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 17.071 -6.007 -5.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 16.002 -5.518 -4.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 16.934 -4.363 -5.394 1.00 0.00 H new ATOM 520 N GLY A 34 15.918 -1.536 1.848 1.00 0.00 N ATOM 521 CA GLY A 34 15.915 -0.348 2.685 1.00 0.00 C ATOM 522 C GLY A 34 14.882 0.667 2.193 1.00 0.00 C ATOM 523 O GLY A 34 14.224 0.486 1.170 1.00 0.00 O ATOM 0 H GLY A 34 15.343 -2.304 2.195 1.00 0.00 H new ATOM 0 HA2 GLY A 34 15.695 -0.626 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 34 16.906 0.106 2.682 1.00 0.00 H new ATOM 527 N PRO A 35 14.752 1.755 2.955 1.00 0.00 N ATOM 528 CA PRO A 35 13.837 2.842 2.678 1.00 0.00 C ATOM 529 C PRO A 35 14.128 3.414 1.298 1.00 0.00 C ATOM 530 O PRO A 35 15.298 3.527 0.937 1.00 0.00 O ATOM 531 CB PRO A 35 14.113 3.874 3.769 1.00 0.00 C ATOM 532 CG PRO A 35 15.575 3.521 4.286 1.00 0.00 C ATOM 533 CD PRO A 35 15.508 2.000 4.164 1.00 0.00 C ATOM 0 HA PRO A 35 12.793 2.529 2.679 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.065 4.890 3.377 1.00 0.00 H new ATOM 0 HB3 PRO A 35 13.380 3.808 4.573 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.358 3.959 3.667 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.752 3.854 5.308 1.00 0.00 H new ATOM 0 HD2 PRO A 35 16.505 1.565 4.101 1.00 0.00 H new ATOM 0 HD3 PRO A 35 15.020 1.555 5.032 1.00 0.00 H new ATOM 541 N GLY A 36 13.079 3.758 0.565 1.00 0.00 N ATOM 542 CA GLY A 36 13.247 4.313 -0.767 1.00 0.00 C ATOM 543 C GLY A 36 12.206 3.745 -1.734 1.00 0.00 C ATOM 544 O GLY A 36 11.273 3.062 -1.314 1.00 0.00 O ATOM 0 H GLY A 36 12.110 3.663 0.868 1.00 0.00 H new ATOM 0 HA2 GLY A 36 13.157 5.398 -0.726 1.00 0.00 H new ATOM 0 HA3 GLY A 36 14.249 4.090 -1.134 1.00 0.00 H new ATOM 548 N LYS A 37 12.399 4.049 -3.008 1.00 0.00 N ATOM 549 CA LYS A 37 11.488 3.578 -4.037 1.00 0.00 C ATOM 550 C LYS A 37 11.576 2.053 -4.131 1.00 0.00 C ATOM 551 O LYS A 37 12.642 1.475 -3.920 1.00 0.00 O ATOM 552 CB LYS A 37 11.761 4.292 -5.363 1.00 0.00 C ATOM 553 CG LYS A 37 10.473 4.456 -6.172 1.00 0.00 C ATOM 554 CD LYS A 37 10.375 3.392 -7.267 1.00 0.00 C ATOM 555 CE LYS A 37 10.113 4.032 -8.632 1.00 0.00 C ATOM 556 NZ LYS A 37 8.675 3.953 -8.974 1.00 0.00 N ATOM 0 H LYS A 37 13.174 4.616 -3.352 1.00 0.00 H new ATOM 0 HA LYS A 37 10.459 3.823 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 37 12.200 5.271 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 37 12.489 3.725 -5.943 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.611 4.382 -5.509 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.445 5.449 -6.621 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.300 2.816 -7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.573 2.693 -7.029 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.433 5.074 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.703 3.527 -9.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 8.515 4.392 -9.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 8.380 2.956 -9.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.119 4.455 -8.253 1.00 0.00 H new ATOM 569 N ILE A 38 10.443 1.445 -4.447 1.00 0.00 N ATOM 570 CA ILE A 38 10.378 -0.001 -4.571 1.00 0.00 C ATOM 571 C ILE A 38 10.352 -0.381 -6.053 1.00 0.00 C ATOM 572 O ILE A 38 9.437 0.002 -6.780 1.00 0.00 O ATOM 573 CB ILE A 38 9.196 -0.555 -3.773 1.00 0.00 C ATOM 574 CG1 ILE A 38 9.278 -0.132 -2.305 1.00 0.00 C ATOM 575 CG2 ILE A 38 9.095 -2.074 -3.927 1.00 0.00 C ATOM 576 CD1 ILE A 38 7.978 -0.458 -1.567 1.00 0.00 C ATOM 0 H ILE A 38 9.561 1.928 -4.621 1.00 0.00 H new ATOM 0 HA ILE A 38 11.267 -0.461 -4.139 1.00 0.00 H new ATOM 0 HB ILE A 38 8.279 -0.128 -4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 38 10.112 -0.641 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 38 9.478 0.938 -2.242 1.00 0.00 H new ATOM 0 HG21 ILE A 38 8.247 -2.443 -3.350 1.00 0.00 H new ATOM 0 HG22 ILE A 38 8.955 -2.325 -4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 38 10.011 -2.538 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 38 8.063 -0.147 -0.526 1.00 0.00 H new ATOM 0 HD12 ILE A 38 7.150 0.072 -2.037 1.00 0.00 H new ATOM 0 HD13 ILE A 38 7.794 -1.531 -1.611 1.00 0.00 H new ATOM 588 N GLU A 39 11.368 -1.129 -6.457 1.00 0.00 N ATOM 589 CA GLU A 39 11.474 -1.565 -7.839 1.00 0.00 C ATOM 590 C GLU A 39 10.647 -2.833 -8.060 1.00 0.00 C ATOM 591 O GLU A 39 10.708 -3.766 -7.261 1.00 0.00 O ATOM 592 CB GLU A 39 12.935 -1.787 -8.234 1.00 0.00 C ATOM 593 CG GLU A 39 13.534 -2.973 -7.475 1.00 0.00 C ATOM 594 CD GLU A 39 15.042 -3.071 -7.712 1.00 0.00 C ATOM 595 OE1 GLU A 39 15.525 -2.704 -8.793 1.00 0.00 O ATOM 596 OE2 GLU A 39 15.719 -3.548 -6.723 1.00 0.00 O ATOM 0 H GLU A 39 12.126 -1.444 -5.851 1.00 0.00 H new ATOM 0 HA GLU A 39 11.075 -0.778 -8.479 1.00 0.00 H new ATOM 0 HB2 GLU A 39 13.002 -1.966 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 39 13.513 -0.887 -8.024 1.00 0.00 H new ATOM 0 HG2 GLU A 39 13.336 -2.864 -6.409 1.00 0.00 H new ATOM 0 HG3 GLU A 39 13.051 -3.896 -7.796 1.00 0.00 H new ATOM 604 N GLY A 40 9.892 -2.826 -9.149 1.00 0.00 N ATOM 605 CA GLY A 40 9.054 -3.964 -9.486 1.00 0.00 C ATOM 606 C GLY A 40 7.587 -3.682 -9.154 1.00 0.00 C ATOM 607 O GLY A 40 6.690 -4.107 -9.880 1.00 0.00 O ATOM 0 H GLY A 40 9.843 -2.050 -9.809 1.00 0.00 H new ATOM 0 HA2 GLY A 40 9.153 -4.192 -10.547 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.392 -4.844 -8.938 1.00 0.00 H new ATOM 611 N PHE A 41 7.389 -2.968 -8.056 1.00 0.00 N ATOM 612 CA PHE A 41 6.047 -2.624 -7.618 1.00 0.00 C ATOM 613 C PHE A 41 5.148 -2.296 -8.812 1.00 0.00 C ATOM 614 O PHE A 41 5.639 -1.991 -9.898 1.00 0.00 O ATOM 615 CB PHE A 41 6.169 -1.383 -6.732 1.00 0.00 C ATOM 616 CG PHE A 41 4.852 -0.947 -6.086 1.00 0.00 C ATOM 617 CD1 PHE A 41 4.218 -1.772 -5.211 1.00 0.00 C ATOM 618 CD2 PHE A 41 4.316 0.266 -6.387 1.00 0.00 C ATOM 619 CE1 PHE A 41 2.996 -1.368 -4.612 1.00 0.00 C ATOM 620 CE2 PHE A 41 3.094 0.671 -5.788 1.00 0.00 C ATOM 621 CZ PHE A 41 2.460 -0.155 -4.913 1.00 0.00 C ATOM 0 H PHE A 41 8.136 -2.618 -7.456 1.00 0.00 H new ATOM 0 HA PHE A 41 5.604 -3.464 -7.083 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.899 -1.580 -5.947 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.559 -0.559 -7.330 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.644 -2.735 -4.972 1.00 0.00 H new ATOM 0 HD2 PHE A 41 4.820 0.921 -7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.492 -2.024 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.668 1.634 -6.027 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.531 0.153 -4.457 1.00 0.00 H new ATOM 631 N GLY A 42 3.848 -2.371 -8.571 1.00 0.00 N ATOM 632 CA GLY A 42 2.876 -2.086 -9.613 1.00 0.00 C ATOM 633 C GLY A 42 1.497 -2.634 -9.241 1.00 0.00 C ATOM 634 O GLY A 42 1.205 -2.845 -8.065 1.00 0.00 O ATOM 0 H GLY A 42 3.445 -2.625 -7.669 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.813 -1.009 -9.772 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.205 -2.528 -10.553 1.00 0.00 H new ATOM 638 N LYS A 43 0.684 -2.849 -10.266 1.00 0.00 N ATOM 639 CA LYS A 43 -0.657 -3.368 -10.062 1.00 0.00 C ATOM 640 C LYS A 43 -0.572 -4.727 -9.364 1.00 0.00 C ATOM 641 O LYS A 43 -0.791 -4.824 -8.157 1.00 0.00 O ATOM 642 CB LYS A 43 -1.426 -3.403 -11.384 1.00 0.00 C ATOM 643 CG LYS A 43 -2.931 -3.529 -11.141 1.00 0.00 C ATOM 644 CD LYS A 43 -3.564 -4.518 -12.122 1.00 0.00 C ATOM 645 CE LYS A 43 -4.698 -3.858 -12.909 1.00 0.00 C ATOM 646 NZ LYS A 43 -4.919 -4.566 -14.191 1.00 0.00 N ATOM 0 H LYS A 43 0.929 -2.673 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.225 -2.707 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.221 -2.496 -11.952 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.080 -4.242 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.111 -3.860 -10.118 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.403 -2.552 -11.248 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.805 -4.888 -12.811 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.948 -5.381 -11.578 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.614 -3.869 -12.318 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -4.455 -2.813 -13.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.692 -4.106 -14.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.049 -4.533 -14.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.172 -5.557 -14.001 1.00 0.00 H new ATOM 659 N GLU A 44 -0.255 -5.743 -10.153 1.00 0.00 N ATOM 660 CA GLU A 44 -0.139 -7.092 -9.626 1.00 0.00 C ATOM 661 C GLU A 44 0.430 -7.060 -8.206 1.00 0.00 C ATOM 662 O GLU A 44 0.023 -7.845 -7.352 1.00 0.00 O ATOM 663 CB GLU A 44 0.719 -7.966 -10.542 1.00 0.00 C ATOM 664 CG GLU A 44 -0.079 -8.434 -11.760 1.00 0.00 C ATOM 665 CD GLU A 44 -1.233 -7.474 -12.061 1.00 0.00 C ATOM 666 OE1 GLU A 44 -1.001 -6.363 -12.558 1.00 0.00 O ATOM 667 OE2 GLU A 44 -2.405 -7.921 -11.759 1.00 0.00 O ATOM 0 H GLU A 44 -0.075 -5.659 -11.153 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.135 -7.533 -9.587 1.00 0.00 H new ATOM 0 HB2 GLU A 44 1.594 -7.405 -10.870 1.00 0.00 H new ATOM 0 HB3 GLU A 44 1.084 -8.831 -9.988 1.00 0.00 H new ATOM 0 HG2 GLU A 44 0.579 -8.501 -12.627 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.471 -9.435 -11.580 1.00 0.00 H new ATOM 675 N MET A 45 1.364 -6.143 -7.998 1.00 0.00 N ATOM 676 CA MET A 45 1.994 -5.999 -6.697 1.00 0.00 C ATOM 677 C MET A 45 1.007 -5.440 -5.669 1.00 0.00 C ATOM 678 O MET A 45 0.762 -6.063 -4.637 1.00 0.00 O ATOM 679 CB MET A 45 3.196 -5.060 -6.813 1.00 0.00 C ATOM 680 CG MET A 45 4.320 -5.489 -5.868 1.00 0.00 C ATOM 681 SD MET A 45 5.324 -6.745 -6.644 1.00 0.00 S ATOM 682 CE MET A 45 6.694 -6.797 -5.500 1.00 0.00 C ATOM 0 H MET A 45 1.699 -5.493 -8.709 1.00 0.00 H new ATOM 0 HA MET A 45 2.321 -6.983 -6.362 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.561 -5.056 -7.840 1.00 0.00 H new ATOM 0 HB3 MET A 45 2.889 -4.040 -6.580 1.00 0.00 H new ATOM 0 HG2 MET A 45 4.936 -4.628 -5.608 1.00 0.00 H new ATOM 0 HG3 MET A 45 3.899 -5.872 -4.938 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.421 -7.536 -5.836 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.168 -5.816 -5.455 1.00 0.00 H new ATOM 0 HE3 MET A 45 6.331 -7.070 -4.509 1.00 0.00 H new ATOM 692 N ALA A 46 0.468 -4.273 -5.987 1.00 0.00 N ATOM 693 CA ALA A 46 -0.486 -3.623 -5.105 1.00 0.00 C ATOM 694 C ALA A 46 -1.595 -4.614 -4.743 1.00 0.00 C ATOM 695 O ALA A 46 -1.883 -4.825 -3.566 1.00 0.00 O ATOM 696 CB ALA A 46 -1.028 -2.361 -5.779 1.00 0.00 C ATOM 0 H ALA A 46 0.674 -3.760 -6.844 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.003 -3.314 -4.178 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.744 -1.874 -5.117 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.205 -1.678 -5.989 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -1.522 -2.631 -6.712 1.00 0.00 H new ATOM 702 N HIS A 47 -2.187 -5.194 -5.776 1.00 0.00 N ATOM 703 CA HIS A 47 -3.257 -6.156 -5.582 1.00 0.00 C ATOM 704 C HIS A 47 -2.689 -7.441 -4.976 1.00 0.00 C ATOM 705 O HIS A 47 -3.351 -8.100 -4.175 1.00 0.00 O ATOM 706 CB HIS A 47 -4.012 -6.402 -6.890 1.00 0.00 C ATOM 707 CG HIS A 47 -4.572 -5.149 -7.520 1.00 0.00 C ATOM 708 ND1 HIS A 47 -4.727 -5.002 -8.887 1.00 0.00 N ATOM 709 CD2 HIS A 47 -5.014 -3.988 -6.956 1.00 0.00 C ATOM 710 CE1 HIS A 47 -5.238 -3.803 -9.124 1.00 0.00 C ATOM 711 NE2 HIS A 47 -5.414 -3.176 -7.926 1.00 0.00 N ATOM 0 H HIS A 47 -1.945 -5.016 -6.751 1.00 0.00 H new ATOM 0 HA HIS A 47 -3.987 -5.755 -4.879 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.340 -6.885 -7.600 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -4.829 -7.098 -6.701 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -5.035 -3.767 -5.899 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -5.474 -3.394 -10.095 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -5.791 -2.237 -7.797 1.00 0.00 H new ATOM 719 N GLY A 48 -1.468 -7.758 -5.380 1.00 0.00 N ATOM 720 CA GLY A 48 -0.802 -8.952 -4.887 1.00 0.00 C ATOM 721 C GLY A 48 -0.326 -8.759 -3.446 1.00 0.00 C ATOM 722 O GLY A 48 -1.064 -8.241 -2.609 1.00 0.00 O ATOM 0 H GLY A 48 -0.922 -7.209 -6.044 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.484 -9.800 -4.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.049 -9.188 -5.526 1.00 0.00 H new ATOM 726 N LYS A 49 0.903 -9.186 -3.201 1.00 0.00 N ATOM 727 CA LYS A 49 1.486 -9.066 -1.875 1.00 0.00 C ATOM 728 C LYS A 49 2.114 -7.680 -1.722 1.00 0.00 C ATOM 729 O LYS A 49 3.182 -7.540 -1.127 1.00 0.00 O ATOM 730 CB LYS A 49 2.462 -10.215 -1.613 1.00 0.00 C ATOM 731 CG LYS A 49 3.015 -10.152 -0.188 1.00 0.00 C ATOM 732 CD LYS A 49 2.486 -11.311 0.658 1.00 0.00 C ATOM 733 CE LYS A 49 2.974 -11.203 2.104 1.00 0.00 C ATOM 734 NZ LYS A 49 3.459 -12.515 2.587 1.00 0.00 N ATOM 0 H LYS A 49 1.512 -9.616 -3.898 1.00 0.00 H new ATOM 0 HA LYS A 49 0.714 -9.153 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.957 -11.168 -1.769 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.284 -10.169 -2.328 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.104 -10.185 -0.215 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.736 -9.204 0.272 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.396 -11.313 0.638 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.814 -12.258 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.775 -10.466 2.170 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.164 -10.851 2.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.786 -12.424 3.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.685 -13.209 2.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.246 -12.836 1.988 1.00 0.00 H new ATOM 747 N GLY A 50 1.424 -6.689 -2.269 1.00 0.00 N ATOM 748 CA GLY A 50 1.901 -5.318 -2.201 1.00 0.00 C ATOM 749 C GLY A 50 1.029 -4.481 -1.263 1.00 0.00 C ATOM 750 O GLY A 50 1.539 -3.826 -0.355 1.00 0.00 O ATOM 0 H GLY A 50 0.539 -6.809 -2.761 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.933 -5.305 -1.852 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.896 -4.877 -3.198 1.00 0.00 H new ATOM 754 N CYS A 51 -0.271 -4.529 -1.515 1.00 0.00 N ATOM 755 CA CYS A 51 -1.218 -3.783 -0.705 1.00 0.00 C ATOM 756 C CYS A 51 -2.265 -4.761 -0.167 1.00 0.00 C ATOM 757 O CYS A 51 -2.122 -5.283 0.938 1.00 0.00 O ATOM 758 CB CYS A 51 -1.859 -2.639 -1.493 1.00 0.00 C ATOM 759 SG CYS A 51 -0.683 -1.376 -2.104 1.00 0.00 S ATOM 0 H CYS A 51 -0.690 -5.073 -2.269 1.00 0.00 H new ATOM 0 HA CYS A 51 -0.696 -3.315 0.129 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.395 -3.058 -2.344 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -2.599 -2.150 -0.860 1.00 0.00 H new ATOM 0 HG CYS A 51 -1.332 -0.459 -2.757 1.00 0.00 H new ATOM 764 N LYS A 52 -3.293 -4.980 -0.972 1.00 0.00 N ATOM 765 CA LYS A 52 -4.364 -5.886 -0.591 1.00 0.00 C ATOM 766 C LYS A 52 -3.761 -7.143 0.038 1.00 0.00 C ATOM 767 O LYS A 52 -4.158 -7.547 1.130 1.00 0.00 O ATOM 768 CB LYS A 52 -5.275 -6.172 -1.786 1.00 0.00 C ATOM 769 CG LYS A 52 -6.177 -4.973 -2.087 1.00 0.00 C ATOM 770 CD LYS A 52 -7.532 -5.430 -2.633 1.00 0.00 C ATOM 771 CE LYS A 52 -7.544 -5.403 -4.162 1.00 0.00 C ATOM 772 NZ LYS A 52 -7.567 -6.780 -4.705 1.00 0.00 N ATOM 0 H LYS A 52 -3.408 -4.546 -1.888 1.00 0.00 H new ATOM 0 HA LYS A 52 -5.003 -5.426 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.670 -6.405 -2.662 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -5.887 -7.050 -1.579 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.325 -4.388 -1.179 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.690 -4.320 -2.811 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.748 -6.439 -2.282 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -8.320 -4.783 -2.248 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.416 -4.852 -4.515 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.664 -4.876 -4.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -7.575 -6.743 -5.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.722 -7.294 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -8.420 -7.271 -4.370 1.00 0.00 H new ATOM 785 N GLY A 53 -2.812 -7.728 -0.678 1.00 0.00 N ATOM 786 CA GLY A 53 -2.151 -8.932 -0.204 1.00 0.00 C ATOM 787 C GLY A 53 -2.120 -8.974 1.325 1.00 0.00 C ATOM 788 O GLY A 53 -2.726 -9.852 1.938 1.00 0.00 O ATOM 0 H GLY A 53 -2.485 -7.390 -1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.671 -9.811 -0.585 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -1.134 -8.970 -0.593 1.00 0.00 H new ATOM 792 N CYS A 54 -1.408 -8.015 1.898 1.00 0.00 N ATOM 793 CA CYS A 54 -1.290 -7.932 3.343 1.00 0.00 C ATOM 794 C CYS A 54 -2.694 -7.782 3.932 1.00 0.00 C ATOM 795 O CYS A 54 -3.069 -8.513 4.847 1.00 0.00 O ATOM 796 CB CYS A 54 -0.367 -6.788 3.771 1.00 0.00 C ATOM 797 SG CYS A 54 -0.145 -6.809 5.587 1.00 0.00 S ATOM 0 H CYS A 54 -0.907 -7.288 1.387 1.00 0.00 H new ATOM 0 HA CYS A 54 -0.832 -8.844 3.725 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.600 -6.886 3.277 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -0.789 -5.833 3.459 1.00 0.00 H new ATOM 0 HG CYS A 54 0.641 -5.836 5.939 1.00 0.00 H new ATOM 802 N HIS A 55 -3.433 -6.829 3.382 1.00 0.00 N ATOM 803 CA HIS A 55 -4.788 -6.574 3.841 1.00 0.00 C ATOM 804 C HIS A 55 -5.535 -7.900 3.998 1.00 0.00 C ATOM 805 O HIS A 55 -5.808 -8.334 5.116 1.00 0.00 O ATOM 806 CB HIS A 55 -5.503 -5.597 2.906 1.00 0.00 C ATOM 807 CG HIS A 55 -4.963 -4.188 2.960 1.00 0.00 C ATOM 808 ND1 HIS A 55 -5.465 -3.163 2.177 1.00 0.00 N ATOM 809 CD2 HIS A 55 -3.962 -3.645 3.711 1.00 0.00 C ATOM 810 CE1 HIS A 55 -4.788 -2.057 2.452 1.00 0.00 C ATOM 811 NE2 HIS A 55 -3.857 -2.359 3.402 1.00 0.00 N ATOM 0 H HIS A 55 -3.119 -6.224 2.623 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.760 -6.095 4.820 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -5.425 -5.966 1.883 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -6.563 -5.579 3.158 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -6.226 -3.245 1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.358 -4.172 4.434 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -4.946 -1.088 2.003 1.00 0.00 H new ATOM 819 N GLU A 56 -5.844 -8.506 2.861 1.00 0.00 N ATOM 820 CA GLU A 56 -6.554 -9.774 2.858 1.00 0.00 C ATOM 821 C GLU A 56 -5.817 -10.797 3.724 1.00 0.00 C ATOM 822 O GLU A 56 -6.409 -11.778 4.172 1.00 0.00 O ATOM 823 CB GLU A 56 -6.739 -10.295 1.432 1.00 0.00 C ATOM 824 CG GLU A 56 -5.562 -9.890 0.543 1.00 0.00 C ATOM 825 CD GLU A 56 -5.204 -11.009 -0.438 1.00 0.00 C ATOM 826 OE1 GLU A 56 -4.963 -12.150 -0.015 1.00 0.00 O ATOM 827 OE2 GLU A 56 -5.184 -10.661 -1.679 1.00 0.00 O ATOM 0 H GLU A 56 -5.616 -8.143 1.936 1.00 0.00 H new ATOM 0 HA GLU A 56 -7.545 -9.614 3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -6.831 -11.381 1.447 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.666 -9.902 1.015 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -5.814 -8.984 -0.009 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.697 -9.655 1.163 1.00 0.00 H new ATOM 835 N GLU A 57 -4.535 -10.534 3.935 1.00 0.00 N ATOM 836 CA GLU A 57 -3.711 -11.419 4.739 1.00 0.00 C ATOM 837 C GLU A 57 -4.268 -11.517 6.161 1.00 0.00 C ATOM 838 O GLU A 57 -4.488 -12.614 6.671 1.00 0.00 O ATOM 839 CB GLU A 57 -2.254 -10.952 4.752 1.00 0.00 C ATOM 840 CG GLU A 57 -1.296 -12.144 4.702 1.00 0.00 C ATOM 841 CD GLU A 57 -1.574 -13.021 3.480 1.00 0.00 C ATOM 842 OE1 GLU A 57 -2.182 -14.094 3.613 1.00 0.00 O ATOM 843 OE2 GLU A 57 -1.137 -12.552 2.361 1.00 0.00 O ATOM 0 H GLU A 57 -4.047 -9.719 3.562 1.00 0.00 H new ATOM 0 HA GLU A 57 -3.735 -12.412 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.071 -10.297 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.064 -10.366 5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.267 -11.787 4.671 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.400 -12.737 5.611 1.00 0.00 H new ATOM 851 N MET A 58 -4.480 -10.354 6.760 1.00 0.00 N ATOM 852 CA MET A 58 -5.007 -10.295 8.113 1.00 0.00 C ATOM 853 C MET A 58 -6.502 -9.971 8.105 1.00 0.00 C ATOM 854 O MET A 58 -7.110 -9.801 9.161 1.00 0.00 O ATOM 855 CB MET A 58 -4.256 -9.224 8.907 1.00 0.00 C ATOM 856 CG MET A 58 -2.753 -9.511 8.929 1.00 0.00 C ATOM 857 SD MET A 58 -2.226 -9.878 10.594 1.00 0.00 S ATOM 858 CE MET A 58 -1.878 -8.229 11.180 1.00 0.00 C ATOM 0 H MET A 58 -4.296 -9.446 6.333 1.00 0.00 H new ATOM 0 HA MET A 58 -4.868 -11.270 8.580 1.00 0.00 H new ATOM 0 HB2 MET A 58 -4.436 -8.244 8.464 1.00 0.00 H new ATOM 0 HB3 MET A 58 -4.638 -9.188 9.927 1.00 0.00 H new ATOM 0 HG2 MET A 58 -2.525 -10.351 8.273 1.00 0.00 H new ATOM 0 HG3 MET A 58 -2.204 -8.650 8.547 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.534 -8.275 12.213 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.103 -7.778 10.560 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.784 -7.625 11.125 1.00 0.00 H new ATOM 868 N LYS A 59 -7.052 -9.894 6.902 1.00 0.00 N ATOM 869 CA LYS A 59 -8.465 -9.594 6.743 1.00 0.00 C ATOM 870 C LYS A 59 -8.724 -8.146 7.165 1.00 0.00 C ATOM 871 O LYS A 59 -9.874 -7.716 7.246 1.00 0.00 O ATOM 872 CB LYS A 59 -9.319 -10.616 7.495 1.00 0.00 C ATOM 873 CG LYS A 59 -9.649 -11.816 6.605 1.00 0.00 C ATOM 874 CD LYS A 59 -8.524 -12.852 6.642 1.00 0.00 C ATOM 875 CE LYS A 59 -9.028 -14.189 7.188 1.00 0.00 C ATOM 876 NZ LYS A 59 -8.167 -15.298 6.719 1.00 0.00 N ATOM 0 H LYS A 59 -6.545 -10.034 6.028 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.757 -9.679 5.696 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.788 -10.954 8.385 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.242 -10.145 7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.581 -12.274 6.937 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.806 -11.481 5.580 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.122 -12.993 5.639 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.708 -12.485 7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.037 -14.163 8.278 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.055 -14.357 6.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -8.523 -16.198 7.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -8.179 -15.331 5.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -7.193 -15.144 7.049 1.00 0.00 H new ATOM 889 N LYS A 60 -7.637 -7.435 7.424 1.00 0.00 N ATOM 890 CA LYS A 60 -7.732 -6.045 7.836 1.00 0.00 C ATOM 891 C LYS A 60 -7.340 -5.142 6.665 1.00 0.00 C ATOM 892 O LYS A 60 -6.494 -5.508 5.850 1.00 0.00 O ATOM 893 CB LYS A 60 -6.907 -5.803 9.101 1.00 0.00 C ATOM 894 CG LYS A 60 -7.295 -6.790 10.205 1.00 0.00 C ATOM 895 CD LYS A 60 -8.447 -6.242 11.050 1.00 0.00 C ATOM 896 CE LYS A 60 -9.292 -7.379 11.627 1.00 0.00 C ATOM 897 NZ LYS A 60 -10.394 -7.728 10.702 1.00 0.00 N ATOM 0 H LYS A 60 -6.685 -7.796 7.357 1.00 0.00 H new ATOM 0 HA LYS A 60 -8.760 -5.796 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -5.846 -5.905 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -7.061 -4.782 9.450 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.586 -7.742 9.761 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.433 -6.986 10.842 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.050 -5.632 11.861 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.074 -5.592 10.439 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -8.665 -8.253 11.801 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -9.701 -7.082 12.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -10.957 -8.501 11.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.002 -6.897 10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.998 -8.032 9.789 1.00 0.00 H new ATOM 910 N GLY A 61 -7.974 -3.980 6.617 1.00 0.00 N ATOM 911 CA GLY A 61 -7.702 -3.022 5.559 1.00 0.00 C ATOM 912 C GLY A 61 -8.674 -3.203 4.391 1.00 0.00 C ATOM 913 O GLY A 61 -9.357 -4.217 4.263 1.00 0.00 O ATOM 0 H GLY A 61 -8.676 -3.680 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.784 -2.008 5.951 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -6.678 -3.145 5.207 1.00 0.00 H new ATOM 917 N PRO A 62 -8.721 -2.183 3.532 1.00 0.00 N ATOM 918 CA PRO A 62 -9.566 -2.143 2.358 1.00 0.00 C ATOM 919 C PRO A 62 -9.109 -3.200 1.363 1.00 0.00 C ATOM 920 O PRO A 62 -7.952 -3.164 0.948 1.00 0.00 O ATOM 921 CB PRO A 62 -9.379 -0.738 1.789 1.00 0.00 C ATOM 922 CG PRO A 62 -8.064 -0.281 2.300 1.00 0.00 C ATOM 923 CD PRO A 62 -7.931 -0.976 3.653 1.00 0.00 C ATOM 0 HA PRO A 62 -10.613 -2.349 2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -9.395 -0.750 0.699 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -10.180 -0.073 2.113 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -7.255 -0.562 1.626 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.031 0.804 2.404 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.890 -1.206 3.878 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.299 -0.343 4.460 1.00 0.00 H new ATOM 931 N THR A 63 -10.007 -4.107 1.006 1.00 0.00 N ATOM 932 CA THR A 63 -9.672 -5.160 0.064 1.00 0.00 C ATOM 933 C THR A 63 -10.607 -5.110 -1.146 1.00 0.00 C ATOM 934 O THR A 63 -10.393 -5.816 -2.131 1.00 0.00 O ATOM 935 CB THR A 63 -9.716 -6.495 0.810 1.00 0.00 C ATOM 936 OG1 THR A 63 -11.074 -6.615 1.226 1.00 0.00 O ATOM 937 CG2 THR A 63 -8.927 -6.459 2.121 1.00 0.00 C ATOM 0 H THR A 63 -10.966 -4.134 1.353 1.00 0.00 H new ATOM 0 HA THR A 63 -8.666 -5.027 -0.335 1.00 0.00 H new ATOM 0 HB THR A 63 -9.320 -7.283 0.169 1.00 0.00 H new ATOM 0 HG1 THR A 63 -11.193 -7.455 1.717 1.00 0.00 H new ATOM 0 HG21 THR A 63 -8.991 -7.431 2.611 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.883 -6.226 1.911 1.00 0.00 H new ATOM 0 HG23 THR A 63 -9.345 -5.695 2.776 1.00 0.00 H new ATOM 945 N LYS A 64 -11.624 -4.269 -1.033 1.00 0.00 N ATOM 946 CA LYS A 64 -12.593 -4.117 -2.106 1.00 0.00 C ATOM 947 C LYS A 64 -12.229 -2.891 -2.946 1.00 0.00 C ATOM 948 O LYS A 64 -11.544 -1.988 -2.469 1.00 0.00 O ATOM 949 CB LYS A 64 -14.014 -4.076 -1.542 1.00 0.00 C ATOM 950 CG LYS A 64 -14.251 -5.230 -0.566 1.00 0.00 C ATOM 951 CD LYS A 64 -15.499 -6.027 -0.950 1.00 0.00 C ATOM 952 CE LYS A 64 -16.459 -6.146 0.235 1.00 0.00 C ATOM 953 NZ LYS A 64 -17.167 -7.445 0.200 1.00 0.00 N ATOM 0 H LYS A 64 -11.799 -3.685 -0.215 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.564 -4.980 -2.771 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.180 -3.126 -1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -14.735 -4.132 -2.358 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -13.383 -5.889 -0.559 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.362 -4.838 0.445 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.004 -5.540 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.210 -7.022 -1.290 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -15.906 -6.052 1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.182 -5.330 0.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.815 -7.509 1.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.710 -7.521 -0.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.474 -8.219 0.248 1.00 0.00 H new ATOM 966 N CYS A 65 -12.703 -2.899 -4.183 1.00 0.00 N ATOM 967 CA CYS A 65 -12.436 -1.800 -5.095 1.00 0.00 C ATOM 968 C CYS A 65 -13.214 -0.575 -4.610 1.00 0.00 C ATOM 969 O CYS A 65 -14.202 -0.707 -3.889 1.00 0.00 O ATOM 970 CB CYS A 65 -12.787 -2.163 -6.539 1.00 0.00 C ATOM 971 SG CYS A 65 -12.691 -3.950 -6.925 1.00 0.00 S ATOM 0 H CYS A 65 -13.271 -3.650 -4.575 1.00 0.00 H new ATOM 0 HA CYS A 65 -11.369 -1.576 -5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.797 -1.813 -6.752 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.116 -1.624 -7.208 1.00 0.00 H new ATOM 0 HG CYS A 65 -13.010 -4.143 -8.171 1.00 0.00 H new ATOM 976 N GLY A 66 -12.740 0.591 -5.025 1.00 0.00 N ATOM 977 CA GLY A 66 -13.378 1.838 -4.642 1.00 0.00 C ATOM 978 C GLY A 66 -12.816 2.358 -3.317 1.00 0.00 C ATOM 979 O GLY A 66 -12.702 3.567 -3.119 1.00 0.00 O ATOM 0 H GLY A 66 -11.921 0.698 -5.623 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -13.226 2.583 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -14.454 1.687 -4.551 1.00 0.00 H new ATOM 983 N GLU A 67 -12.479 1.420 -2.445 1.00 0.00 N ATOM 984 CA GLU A 67 -11.931 1.768 -1.145 1.00 0.00 C ATOM 985 C GLU A 67 -10.493 2.270 -1.293 1.00 0.00 C ATOM 986 O GLU A 67 -9.966 2.926 -0.395 1.00 0.00 O ATOM 987 CB GLU A 67 -12.000 0.579 -0.184 1.00 0.00 C ATOM 988 CG GLU A 67 -12.521 1.012 1.187 1.00 0.00 C ATOM 989 CD GLU A 67 -12.525 -0.162 2.168 1.00 0.00 C ATOM 990 OE1 GLU A 67 -12.563 -1.326 1.742 1.00 0.00 O ATOM 991 OE2 GLU A 67 -12.485 0.169 3.414 1.00 0.00 O ATOM 0 H GLU A 67 -12.575 0.419 -2.613 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.534 2.571 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.651 -0.191 -0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.010 0.135 -0.077 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.898 1.816 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -13.531 1.410 1.087 1.00 0.00 H new ATOM 999 N CYS A 68 -9.899 1.944 -2.431 1.00 0.00 N ATOM 1000 CA CYS A 68 -8.533 2.354 -2.707 1.00 0.00 C ATOM 1001 C CYS A 68 -8.557 3.357 -3.863 1.00 0.00 C ATOM 1002 O CYS A 68 -7.951 4.424 -3.776 1.00 0.00 O ATOM 1003 CB CYS A 68 -7.633 1.155 -3.011 1.00 0.00 C ATOM 1004 SG CYS A 68 -6.511 0.841 -1.600 1.00 0.00 S ATOM 0 H CYS A 68 -10.339 1.400 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 68 -8.108 2.829 -1.823 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -8.242 0.272 -3.205 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -7.052 1.346 -3.913 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.753 -0.180 -1.868 1.00 0.00 H new ATOM 1009 N HIS A 69 -9.264 2.979 -4.918 1.00 0.00 N ATOM 1010 CA HIS A 69 -9.375 3.832 -6.089 1.00 0.00 C ATOM 1011 C HIS A 69 -10.547 4.800 -5.910 1.00 0.00 C ATOM 1012 O HIS A 69 -11.706 4.408 -6.037 1.00 0.00 O ATOM 1013 CB HIS A 69 -9.488 2.993 -7.363 1.00 0.00 C ATOM 1014 CG HIS A 69 -8.323 2.059 -7.589 1.00 0.00 C ATOM 1015 ND1 HIS A 69 -7.068 2.504 -7.964 1.00 0.00 N ATOM 1016 CD2 HIS A 69 -8.237 0.702 -7.488 1.00 0.00 C ATOM 1017 CE1 HIS A 69 -6.270 1.453 -8.082 1.00 0.00 C ATOM 1018 NE2 HIS A 69 -6.996 0.337 -7.786 1.00 0.00 N ATOM 0 H HIS A 69 -9.766 2.093 -4.986 1.00 0.00 H new ATOM 0 HA HIS A 69 -8.469 4.429 -6.196 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.407 2.408 -7.320 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.576 3.662 -8.219 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -6.802 3.476 -8.123 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.042 0.037 -7.212 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.228 1.476 -8.363 1.00 0.00 H new ATOM 1026 N LYS A 70 -10.204 6.046 -5.616 1.00 0.00 N ATOM 1027 CA LYS A 70 -11.213 7.072 -5.419 1.00 0.00 C ATOM 1028 C LYS A 70 -11.159 8.066 -6.581 1.00 0.00 C ATOM 1029 O LYS A 70 -10.152 8.745 -6.775 1.00 0.00 O ATOM 1030 CB LYS A 70 -11.052 7.725 -4.044 1.00 0.00 C ATOM 1031 CG LYS A 70 -11.594 6.816 -2.939 1.00 0.00 C ATOM 1032 CD LYS A 70 -12.394 7.620 -1.912 1.00 0.00 C ATOM 1033 CE LYS A 70 -12.071 7.164 -0.487 1.00 0.00 C ATOM 1034 NZ LYS A 70 -12.943 7.855 0.488 1.00 0.00 N ATOM 0 H LYS A 70 -9.242 6.368 -5.510 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.210 6.631 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -9.999 7.939 -3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -11.579 8.679 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.228 6.044 -3.376 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -10.767 6.307 -2.444 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -12.167 8.681 -2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.461 7.501 -2.103 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.206 6.086 -0.404 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.025 7.372 -0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -12.711 7.534 1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -12.794 8.882 0.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -13.938 7.635 0.281 1.00 0.00 H new ATOM 1047 N LYS A 71 -12.254 8.119 -7.324 1.00 0.00 N ATOM 1048 CA LYS A 71 -12.344 9.018 -8.462 1.00 0.00 C ATOM 1049 C LYS A 71 -12.225 10.464 -7.975 1.00 0.00 C ATOM 1050 O LYS A 71 -12.336 10.731 -6.780 1.00 0.00 O ATOM 1051 CB LYS A 71 -13.617 8.742 -9.264 1.00 0.00 C ATOM 1052 CG LYS A 71 -13.680 9.623 -10.514 1.00 0.00 C ATOM 1053 CD LYS A 71 -15.130 9.903 -10.915 1.00 0.00 C ATOM 1054 CE LYS A 71 -15.262 10.034 -12.434 1.00 0.00 C ATOM 1055 NZ LYS A 71 -15.838 11.350 -12.792 1.00 0.00 N ATOM 0 H LYS A 71 -13.087 7.554 -7.160 1.00 0.00 H new ATOM 0 HA LYS A 71 -11.517 8.844 -9.151 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.648 7.692 -9.553 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.491 8.927 -8.640 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.163 10.564 -10.327 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -13.160 9.132 -11.336 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.772 9.097 -10.558 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.473 10.820 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -14.284 9.919 -12.901 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.896 9.236 -12.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -15.921 11.423 -13.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.780 11.445 -12.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.218 12.107 -12.440 1.00 0.00 H new