USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=14 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=1.1,f=1.1) USER MOD Set 1.2: A 69 HIS : no HE2:sc= 1.08 K(o=1.1,f=-3.2!) USER MOD Set 2.1: A 17 HIS : no HD1:sc= -4.97! C(o=-13!,f=-11!) USER MOD Set 2.2: A 21 GLN : amide:sc= -5.29! C(o=-13!,f=-9.2!) USER MOD Set 2.3: A 31 HIS : no HE2:sc= -2.45! C(o=-13!,f=-10!) USER MOD Set 3.1: A 20 HIS : no HE2:sc= -1.04 X(o=-7.8,f=-7.8) USER MOD Set 3.2: A 55 HIS : no HE2:sc= -6.8! K(o=-7.8!,f=-7.2) 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 X(o=0,f=-0.017) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ -130:sc= -0.199 (180deg=-0.409) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 62:sc= 0.0527 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 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ -156:sc= -0.0308 (180deg=-0.262) USER MOD Single : A 51 CYS SG : rot 180:sc= -2.35 USER MOD Single : A 52 LYS NZ :NH3+ -158:sc= 0.927 (180deg=0.631) USER MOD Single : A 54 CYS SG : rot 180:sc= -1.47 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= 0.0945 USER MOD Single : A 68 CYS SG : rot 180:sc= -1.72 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 -7.195 8.586 -2.172 1.00 1.00 N ATOM 25 CA ASP A 3 -6.676 8.434 -0.823 1.00 1.00 C ATOM 26 C ASP A 3 -7.508 7.390 -0.076 1.00 1.00 C ATOM 27 O ASP A 3 -8.670 7.632 0.245 1.00 1.00 O ATOM 28 CB ASP A 3 -6.762 9.750 -0.049 1.00 1.00 C ATOM 29 CG ASP A 3 -5.863 9.834 1.187 1.00 1.00 C ATOM 30 OD1 ASP A 3 -5.667 8.840 1.902 1.00 1.00 O ATOM 31 OD2 ASP A 3 -5.347 10.995 1.408 1.00 1.00 O ATOM 0 HA ASP A 3 -5.633 8.126 -0.895 1.00 1.00 H new ATOM 0 HB2 ASP A 3 -6.505 10.568 -0.723 1.00 1.00 H new ATOM 0 HB3 ASP A 3 -7.795 9.905 0.261 1.00 1.00 H new ATOM 37 N ILE A 4 -6.880 6.251 0.178 1.00 1.00 N ATOM 38 CA ILE A 4 -7.548 5.169 0.882 1.00 1.00 C ATOM 39 C ILE A 4 -6.896 4.979 2.253 1.00 1.00 C ATOM 40 O ILE A 4 -5.995 4.156 2.407 1.00 1.00 O ATOM 41 CB ILE A 4 -7.561 3.901 0.026 1.00 1.00 C ATOM 42 CG1 ILE A 4 -8.789 3.868 -0.886 1.00 1.00 C ATOM 43 CG2 ILE A 4 -7.462 2.649 0.899 1.00 1.00 C ATOM 44 CD1 ILE A 4 -8.842 2.566 -1.687 1.00 1.00 C ATOM 0 H ILE A 4 -5.916 6.054 -0.091 1.00 1.00 H new ATOM 0 HA ILE A 4 -8.594 5.418 1.058 1.00 1.00 H new ATOM 0 HB ILE A 4 -6.682 3.915 -0.618 1.00 1.00 H new ATOM 0 HG12 ILE A 4 -9.694 3.968 -0.287 1.00 1.00 H new ATOM 0 HG13 ILE A 4 -8.763 4.718 -1.568 1.00 1.00 H new ATOM 0 HG21 ILE A 4 -7.473 1.762 0.266 1.00 1.00 H new ATOM 0 HG22 ILE A 4 -6.534 2.676 1.469 1.00 1.00 H new ATOM 0 HG23 ILE A 4 -8.308 2.616 1.585 1.00 1.00 H new ATOM 0 HD11 ILE A 4 -9.724 2.568 -2.327 1.00 1.00 H new ATOM 0 HD12 ILE A 4 -7.947 2.481 -2.303 1.00 1.00 H new ATOM 0 HD13 ILE A 4 -8.893 1.719 -1.002 1.00 1.00 H new ATOM 56 N VAL A 5 -7.377 5.754 3.214 1.00 1.00 N ATOM 57 CA VAL A 5 -6.852 5.681 4.567 1.00 1.00 C ATOM 58 C VAL A 5 -7.172 4.307 5.160 1.00 1.00 C ATOM 59 O VAL A 5 -8.330 3.895 5.192 1.00 1.00 O ATOM 60 CB VAL A 5 -7.403 6.837 5.405 1.00 1.00 C ATOM 61 CG1 VAL A 5 -6.769 6.855 6.798 1.00 1.00 C ATOM 62 CG2 VAL A 5 -7.199 8.176 4.693 1.00 1.00 C ATOM 0 H VAL A 5 -8.124 6.435 3.083 1.00 1.00 H new ATOM 0 HA VAL A 5 -5.767 5.789 4.562 1.00 1.00 H new ATOM 0 HB VAL A 5 -8.475 6.682 5.526 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -7.178 7.686 7.373 1.00 1.00 H new ATOM 0 HG12 VAL A 5 -6.988 5.918 7.309 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -5.690 6.974 6.705 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -7.599 8.981 5.310 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -6.134 8.341 4.527 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -7.718 8.161 3.734 1.00 1.00 H new ATOM 72 N LEU A 6 -6.124 3.636 5.615 1.00 1.00 N ATOM 73 CA LEU A 6 -6.278 2.317 6.205 1.00 1.00 C ATOM 74 C LEU A 6 -6.457 2.458 7.718 1.00 1.00 C ATOM 75 O LEU A 6 -6.141 3.501 8.290 1.00 1.00 O ATOM 76 CB LEU A 6 -5.112 1.411 5.805 1.00 1.00 C ATOM 77 CG LEU A 6 -5.049 1.010 4.330 1.00 1.00 C ATOM 78 CD1 LEU A 6 -3.648 0.528 3.952 1.00 1.00 C ATOM 79 CD2 LEU A 6 -6.122 -0.029 3.999 1.00 1.00 C ATOM 0 H LEU A 6 -5.165 3.981 5.587 1.00 1.00 H new ATOM 0 HA LEU A 6 -7.175 1.830 5.821 1.00 1.00 H new ATOM 0 HB2 LEU A 6 -4.181 1.915 6.064 1.00 1.00 H new ATOM 0 HB3 LEU A 6 -5.161 0.503 6.406 1.00 1.00 H new ATOM 0 HG LEU A 6 -5.258 1.893 3.726 1.00 1.00 H new ATOM 0 HD11 LEU A 6 -3.631 0.249 2.898 1.00 1.00 H new ATOM 0 HD12 LEU A 6 -2.928 1.328 4.127 1.00 1.00 H new ATOM 0 HD13 LEU A 6 -3.384 -0.337 4.560 1.00 1.00 H new ATOM 0 HD21 LEU A 6 -6.056 -0.297 2.945 1.00 1.00 H new ATOM 0 HD22 LEU A 6 -5.968 -0.918 4.610 1.00 1.00 H new ATOM 0 HD23 LEU A 6 -7.108 0.387 4.206 1.00 1.00 H new ATOM 91 N LYS A 7 -6.963 1.394 8.324 1.00 1.00 N ATOM 92 CA LYS A 7 -7.187 1.386 9.759 1.00 1.00 C ATOM 93 C LYS A 7 -5.899 0.967 10.470 1.00 1.00 C ATOM 94 O LYS A 7 -5.456 -0.173 10.339 1.00 1.00 O ATOM 95 CB LYS A 7 -8.394 0.512 10.108 1.00 1.00 C ATOM 96 CG LYS A 7 -8.257 -0.882 9.493 1.00 1.00 C ATOM 97 CD LYS A 7 -8.884 -1.944 10.399 1.00 1.00 C ATOM 98 CE LYS A 7 -10.305 -2.284 9.943 1.00 1.00 C ATOM 99 NZ LYS A 7 -11.296 -1.479 10.693 1.00 1.00 N ATOM 0 H LYS A 7 -7.224 0.531 7.847 1.00 1.00 H new ATOM 0 HA LYS A 7 -7.435 2.387 10.111 1.00 1.00 H new ATOM 0 HB2 LYS A 7 -8.486 0.428 11.191 1.00 1.00 H new ATOM 0 HB3 LYS A 7 -9.307 0.985 9.746 1.00 1.00 H new ATOM 0 HG2 LYS A 7 -8.739 -0.901 8.516 1.00 1.00 H new ATOM 0 HG3 LYS A 7 -7.203 -1.111 9.333 1.00 1.00 H new ATOM 0 HD2 LYS A 7 -8.270 -2.844 10.389 1.00 1.00 H new ATOM 0 HD3 LYS A 7 -8.905 -1.584 11.427 1.00 1.00 H new ATOM 0 HE2 LYS A 7 -10.406 -2.093 8.875 1.00 1.00 H new ATOM 0 HE3 LYS A 7 -10.499 -3.346 10.097 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 -12.255 -1.722 10.372 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 -11.210 -1.681 11.709 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 -11.120 -0.468 10.525 1.00 1.00 H new ATOM 112 N ALA A 8 -5.333 1.911 11.207 1.00 1.00 N ATOM 113 CA ALA A 8 -4.105 1.654 11.939 1.00 1.00 C ATOM 114 C ALA A 8 -3.970 2.671 13.074 1.00 1.00 C ATOM 115 O ALA A 8 -3.722 3.851 12.830 1.00 1.00 O ATOM 116 CB ALA A 8 -2.918 1.697 10.975 1.00 1.00 C ATOM 0 H ALA A 8 -5.703 2.856 11.313 1.00 1.00 H new ATOM 0 HA ALA A 8 -4.126 0.661 12.387 1.00 1.00 H new ATOM 0 HB1 ALA A 8 -1.996 1.504 11.524 1.00 1.00 H new ATOM 0 HB2 ALA A 8 -3.047 0.937 10.205 1.00 1.00 H new ATOM 0 HB3 ALA A 8 -2.864 2.681 10.509 1.00 1.00 H new ATOM 122 N LYS A 9 -4.140 2.177 14.292 1.00 1.00 N ATOM 123 CA LYS A 9 -4.040 3.028 15.466 1.00 1.00 C ATOM 124 C LYS A 9 -2.580 3.434 15.673 1.00 1.00 C ATOM 125 O LYS A 9 -2.280 4.275 16.520 1.00 1.00 O ATOM 126 CB LYS A 9 -4.666 2.340 16.681 1.00 1.00 C ATOM 127 CG LYS A 9 -6.194 2.401 16.619 1.00 1.00 C ATOM 128 CD LYS A 9 -6.781 1.046 16.219 1.00 1.00 C ATOM 129 CE LYS A 9 -6.936 0.134 17.438 1.00 1.00 C ATOM 130 NZ LYS A 9 -8.234 0.378 18.106 1.00 1.00 N ATOM 0 H LYS A 9 -4.346 1.198 14.491 1.00 1.00 H new ATOM 0 HA LYS A 9 -4.609 3.946 15.321 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -4.341 1.300 16.722 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -4.316 2.819 17.595 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -6.589 2.700 17.590 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -6.502 3.161 15.901 1.00 1.00 H new ATOM 0 HD2 LYS A 9 -7.751 1.192 15.744 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -6.134 0.568 15.483 1.00 1.00 H new ATOM 0 HE2 LYS A 9 -6.869 -0.909 17.130 1.00 1.00 H new ATOM 0 HE3 LYS A 9 -6.120 0.312 18.139 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 -8.323 -0.249 18.931 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 -8.283 1.369 18.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 -9.009 0.186 17.440 1.00 1.00 H new ATOM 143 N ASN A 10 -1.710 2.819 14.886 1.00 1.00 N ATOM 144 CA ASN A 10 -0.289 3.106 14.973 1.00 1.00 C ATOM 145 C ASN A 10 0.049 4.273 14.042 1.00 1.00 C ATOM 146 O ASN A 10 1.208 4.674 13.939 1.00 1.00 O ATOM 147 CB ASN A 10 0.545 1.899 14.539 1.00 1.00 C ATOM 148 CG ASN A 10 0.386 0.740 15.525 1.00 1.00 C ATOM 149 OD1 ASN A 10 -0.616 0.043 15.547 1.00 1.00 O ATOM 150 ND2 ASN A 10 1.426 0.573 16.337 1.00 1.00 N ATOM 0 H ASN A 10 -1.962 2.123 14.185 1.00 1.00 H new ATOM 0 HA ASN A 10 -0.058 3.350 16.010 1.00 1.00 H new ATOM 0 HB2 ASN A 10 0.238 1.579 13.543 1.00 1.00 H new ATOM 0 HB3 ASN A 10 1.595 2.183 14.472 1.00 1.00 H new ATOM 0 HD21 ASN A 10 1.416 -0.174 17.031 1.00 1.00 H new ATOM 0 HD22 ASN A 10 2.233 1.192 16.265 1.00 1.00 H new ATOM 157 N GLY A 11 -0.983 4.785 13.388 1.00 1.00 N ATOM 158 CA GLY A 11 -0.810 5.897 12.470 1.00 1.00 C ATOM 159 C GLY A 11 -1.326 5.542 11.074 1.00 1.00 C ATOM 160 O GLY A 11 -0.745 4.701 10.389 1.00 1.00 O ATOM 0 H GLY A 11 -1.942 4.450 13.476 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -1.342 6.770 12.847 1.00 1.00 H new ATOM 0 HA3 GLY A 11 0.245 6.166 12.414 1.00 1.00 H new ATOM 164 N ASP A 12 -2.411 6.199 10.694 1.00 1.00 N ATOM 165 CA ASP A 12 -3.012 5.963 9.392 1.00 1.00 C ATOM 166 C ASP A 12 -1.910 5.880 8.334 1.00 1.00 C ATOM 167 O ASP A 12 -0.857 6.500 8.480 1.00 1.00 O ATOM 168 CB ASP A 12 -3.954 7.104 9.005 1.00 1.00 C ATOM 169 CG ASP A 12 -5.439 6.829 9.253 1.00 1.00 C ATOM 170 OD1 ASP A 12 -5.885 5.672 9.237 1.00 1.00 O ATOM 171 OD2 ASP A 12 -6.159 7.877 9.471 1.00 1.00 O ATOM 0 H ASP A 12 -2.890 6.895 11.265 1.00 1.00 H new ATOM 0 HA ASP A 12 -3.576 5.032 9.445 1.00 1.00 H new ATOM 0 HB2 ASP A 12 -3.667 7.996 9.561 1.00 1.00 H new ATOM 0 HB3 ASP A 12 -3.813 7.329 7.948 1.00 1.00 H new ATOM 177 N VAL A 13 -2.190 5.110 7.293 1.00 1.00 N ATOM 178 CA VAL A 13 -1.235 4.938 6.211 1.00 1.00 C ATOM 179 C VAL A 13 -1.874 5.391 4.897 1.00 1.00 C ATOM 180 O VAL A 13 -2.352 4.567 4.118 1.00 1.00 O ATOM 181 CB VAL A 13 -0.746 3.489 6.170 1.00 1.00 C ATOM 182 CG1 VAL A 13 0.336 3.306 5.104 1.00 1.00 C ATOM 183 CG2 VAL A 13 -0.244 3.041 7.544 1.00 1.00 C ATOM 0 H VAL A 13 -3.064 4.598 7.176 1.00 1.00 H new ATOM 0 HA VAL A 13 -0.355 5.559 6.376 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.592 2.857 5.900 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.666 2.267 5.096 1.00 1.00 H new ATOM 0 HG12 VAL A 13 -0.069 3.566 4.126 1.00 1.00 H new ATOM 0 HG13 VAL A 13 1.183 3.954 5.330 1.00 1.00 H new ATOM 0 HG21 VAL A 13 0.098 2.008 7.487 1.00 1.00 H new ATOM 0 HG22 VAL A 13 0.582 3.680 7.856 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -1.054 3.116 8.270 1.00 1.00 H new ATOM 193 N LYS A 14 -1.863 6.700 4.690 1.00 1.00 N ATOM 194 CA LYS A 14 -2.435 7.272 3.483 1.00 1.00 C ATOM 195 C LYS A 14 -1.757 6.653 2.259 1.00 1.00 C ATOM 196 O LYS A 14 -0.569 6.872 2.027 1.00 1.00 O ATOM 197 CB LYS A 14 -2.355 8.799 3.524 1.00 1.00 C ATOM 198 CG LYS A 14 -2.639 9.401 2.146 1.00 1.00 C ATOM 199 CD LYS A 14 -1.645 10.517 1.820 1.00 1.00 C ATOM 200 CE LYS A 14 -0.793 10.154 0.602 1.00 1.00 C ATOM 201 NZ LYS A 14 0.398 11.028 0.524 1.00 1.00 N ATOM 0 H LYS A 14 -1.467 7.381 5.338 1.00 1.00 H new ATOM 0 HA LYS A 14 -3.496 7.033 3.414 1.00 1.00 H new ATOM 0 HB2 LYS A 14 -3.073 9.185 4.248 1.00 1.00 H new ATOM 0 HB3 LYS A 14 -1.365 9.106 3.862 1.00 1.00 H new ATOM 0 HG2 LYS A 14 -2.579 8.622 1.386 1.00 1.00 H new ATOM 0 HG3 LYS A 14 -3.655 9.795 2.120 1.00 1.00 H new ATOM 0 HD2 LYS A 14 -2.184 11.444 1.628 1.00 1.00 H new ATOM 0 HD3 LYS A 14 -0.999 10.696 2.680 1.00 1.00 H new ATOM 0 HE2 LYS A 14 -0.483 9.111 0.666 1.00 1.00 H new ATOM 0 HE3 LYS A 14 -1.386 10.255 -0.307 1.00 1.00 H new ATOM 0 HZ1 LYS A 14 0.965 10.768 -0.308 1.00 1.00 H new ATOM 0 HZ2 LYS A 14 0.096 12.020 0.441 1.00 1.00 H new ATOM 0 HZ3 LYS A 14 0.971 10.911 1.384 1.00 1.00 H new ATOM 214 N LEU A 15 -2.541 5.893 1.509 1.00 1.00 N ATOM 215 CA LEU A 15 -2.031 5.241 0.315 1.00 1.00 C ATOM 216 C LEU A 15 -2.581 5.952 -0.923 1.00 1.00 C ATOM 217 O LEU A 15 -3.743 5.806 -1.297 1.00 1.00 O ATOM 218 CB LEU A 15 -2.336 3.742 0.351 1.00 1.00 C ATOM 219 CG LEU A 15 -2.389 3.036 -1.005 1.00 1.00 C ATOM 220 CD1 LEU A 15 -1.019 2.467 -1.381 1.00 1.00 C ATOM 221 CD2 LEU A 15 -3.480 1.963 -1.023 1.00 1.00 C ATOM 0 H LEU A 15 -3.526 5.714 1.705 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.945 5.320 0.272 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -1.580 3.252 0.964 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -3.294 3.598 0.851 1.00 1.00 H new ATOM 0 HG LEU A 15 -2.651 3.774 -1.764 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -1.085 1.970 -2.349 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -0.292 3.277 -1.437 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -0.704 1.748 -0.625 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -3.496 1.477 -1.998 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -3.274 1.221 -0.251 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -4.448 2.426 -0.832 1.00 1.00 H new ATOM 233 N PRO A 16 -1.707 6.735 -1.559 1.00 1.00 N ATOM 234 CA PRO A 16 -2.012 7.498 -2.751 1.00 1.00 C ATOM 235 C PRO A 16 -2.475 6.557 -3.854 1.00 1.00 C ATOM 236 O PRO A 16 -1.769 6.420 -4.852 1.00 1.00 O ATOM 237 CB PRO A 16 -0.698 8.179 -3.127 1.00 1.00 C ATOM 238 CG PRO A 16 0.135 8.165 -1.911 1.00 1.00 C ATOM 239 CD PRO A 16 -0.334 6.929 -1.148 1.00 1.00 C ATOM 0 HA PRO A 16 -2.809 8.225 -2.598 1.00 1.00 H new ATOM 0 HB2 PRO A 16 -0.205 7.650 -3.943 1.00 1.00 H new ATOM 0 HB3 PRO A 16 -0.872 9.200 -3.468 1.00 1.00 H new ATOM 0 HG2 PRO A 16 1.195 8.103 -2.156 1.00 1.00 H new ATOM 0 HG3 PRO A 16 -0.004 9.072 -1.323 1.00 1.00 H new ATOM 0 HD2 PRO A 16 0.277 6.060 -1.391 1.00 1.00 H new ATOM 0 HD3 PRO A 16 -0.262 7.079 -0.071 1.00 1.00 H new ATOM 247 N HIS A 17 -3.630 5.937 -3.661 1.00 1.00 N ATOM 248 CA HIS A 17 -4.161 5.017 -4.652 1.00 1.00 C ATOM 249 C HIS A 17 -3.980 5.610 -6.051 1.00 1.00 C ATOM 250 O HIS A 17 -3.362 4.991 -6.916 1.00 1.00 O ATOM 251 CB HIS A 17 -5.616 4.664 -4.341 1.00 1.00 C ATOM 252 CG HIS A 17 -6.150 3.500 -5.141 1.00 1.00 C ATOM 253 ND1 HIS A 17 -7.068 3.653 -6.166 1.00 1.00 N ATOM 254 CD2 HIS A 17 -5.885 2.165 -5.057 1.00 1.00 C ATOM 255 CE1 HIS A 17 -7.337 2.456 -6.668 1.00 1.00 C ATOM 256 NE2 HIS A 17 -6.603 1.536 -5.979 1.00 1.00 N ATOM 0 H HIS A 17 -4.213 6.054 -2.832 1.00 1.00 H new ATOM 0 HA HIS A 17 -3.606 4.080 -4.618 1.00 1.00 H new ATOM 0 HB2 HIS A 17 -5.704 4.433 -3.279 1.00 1.00 H new ATOM 0 HB3 HIS A 17 -6.240 5.538 -4.530 1.00 1.00 H new ATOM 0 HD2 HIS A 17 -5.206 1.699 -4.359 1.00 1.00 H new ATOM 0 HE1 HIS A 17 -8.018 2.246 -7.480 1.00 1.00 H new ATOM 0 HE2 HIS A 17 -6.605 0.530 -6.145 1.00 1.00 H new ATOM 264 N LYS A 18 -4.530 6.802 -6.229 1.00 1.00 N ATOM 265 CA LYS A 18 -4.437 7.485 -7.509 1.00 1.00 C ATOM 266 C LYS A 18 -2.987 7.454 -7.995 1.00 1.00 C ATOM 267 O LYS A 18 -2.684 6.838 -9.015 1.00 1.00 O ATOM 268 CB LYS A 18 -5.022 8.896 -7.406 1.00 1.00 C ATOM 269 CG LYS A 18 -4.591 9.755 -8.597 1.00 1.00 C ATOM 270 CD LYS A 18 -4.740 8.986 -9.911 1.00 1.00 C ATOM 271 CE LYS A 18 -4.959 9.942 -11.084 1.00 1.00 C ATOM 272 NZ LYS A 18 -3.761 9.981 -11.952 1.00 1.00 N ATOM 0 H LYS A 18 -5.041 7.312 -5.509 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.036 6.970 -8.260 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -6.110 8.841 -7.367 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -4.693 9.363 -6.478 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -5.194 10.662 -8.632 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -3.554 10.066 -8.469 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -3.848 8.386 -10.088 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -5.580 8.295 -9.839 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -5.825 9.623 -11.664 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -5.177 10.942 -10.710 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -3.489 10.970 -12.125 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -2.977 9.483 -11.484 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.974 9.517 -12.858 1.00 1.00 H new ATOM 285 N ALA A 19 -2.129 8.127 -7.241 1.00 1.00 N ATOM 286 CA ALA A 19 -0.718 8.184 -7.582 1.00 1.00 C ATOM 287 C ALA A 19 -0.203 6.767 -7.840 1.00 1.00 C ATOM 288 O ALA A 19 0.504 6.528 -8.818 1.00 1.00 O ATOM 289 CB ALA A 19 0.050 8.889 -6.462 1.00 1.00 C ATOM 0 H ALA A 19 -2.384 8.637 -6.395 1.00 1.00 H new ATOM 0 HA ALA A 19 -0.566 8.761 -8.494 1.00 1.00 H new ATOM 0 HB1 ALA A 19 1.109 8.932 -6.718 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -0.335 9.901 -6.338 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -0.076 8.337 -5.531 1.00 1.00 H new ATOM 295 N HIS A 20 -0.576 5.864 -6.946 1.00 1.00 N ATOM 296 CA HIS A 20 -0.160 4.476 -7.064 1.00 1.00 C ATOM 297 C HIS A 20 -0.758 3.868 -8.334 1.00 1.00 C ATOM 298 O HIS A 20 -0.222 2.902 -8.876 1.00 1.00 O ATOM 299 CB HIS A 20 -0.523 3.691 -5.802 1.00 1.00 C ATOM 300 CG HIS A 20 0.525 3.751 -4.718 1.00 1.00 C ATOM 301 ND1 HIS A 20 0.596 4.785 -3.800 1.00 1.00 N ATOM 302 CD2 HIS A 20 1.543 2.896 -4.413 1.00 1.00 C ATOM 303 CE1 HIS A 20 1.615 4.553 -2.986 1.00 1.00 C ATOM 304 NE2 HIS A 20 2.201 3.382 -3.368 1.00 1.00 N ATOM 0 H HIS A 20 -1.162 6.066 -6.136 1.00 1.00 H new ATOM 0 HA HIS A 20 0.925 4.424 -7.154 1.00 1.00 H new ATOM 0 HB2 HIS A 20 -1.463 4.075 -5.406 1.00 1.00 H new ATOM 0 HB3 HIS A 20 -0.693 2.649 -6.071 1.00 1.00 H new ATOM 0 HD1 HIS A 20 -0.030 5.589 -3.758 1.00 1.00 H new ATOM 0 HD2 HIS A 20 1.774 1.979 -4.934 1.00 1.00 H new ATOM 0 HE1 HIS A 20 1.927 5.181 -2.164 1.00 1.00 H new ATOM 312 N GLN A 21 -1.860 4.458 -8.772 1.00 1.00 N ATOM 313 CA GLN A 21 -2.537 3.987 -9.969 1.00 1.00 C ATOM 314 C GLN A 21 -1.855 4.545 -11.219 1.00 1.00 C ATOM 315 O GLN A 21 -2.124 4.094 -12.331 1.00 1.00 O ATOM 316 CB GLN A 21 -4.021 4.357 -9.941 1.00 1.00 C ATOM 317 CG GLN A 21 -4.818 3.366 -9.090 1.00 1.00 C ATOM 318 CD GLN A 21 -6.319 3.650 -9.180 1.00 1.00 C ATOM 319 OE1 GLN A 21 -7.073 2.941 -9.826 1.00 1.00 O ATOM 320 NE2 GLN A 21 -6.708 4.723 -8.497 1.00 1.00 N ATOM 0 H GLN A 21 -2.302 5.258 -8.320 1.00 1.00 H new ATOM 0 HA GLN A 21 -2.469 2.900 -9.998 1.00 1.00 H new ATOM 0 HB2 GLN A 21 -4.141 5.364 -9.541 1.00 1.00 H new ATOM 0 HB3 GLN A 21 -4.416 4.369 -10.957 1.00 1.00 H new ATOM 0 HG2 GLN A 21 -4.616 2.349 -9.425 1.00 1.00 H new ATOM 0 HG3 GLN A 21 -4.494 3.430 -8.051 1.00 1.00 H new ATOM 0 HE21 GLN A 21 -6.024 5.272 -7.977 1.00 1.00 H new ATOM 0 HE22 GLN A 21 -7.691 4.996 -8.493 1.00 1.00 H new ATOM 329 N LYS A 22 -0.986 5.520 -10.995 1.00 1.00 N ATOM 330 CA LYS A 22 -0.264 6.145 -12.090 1.00 1.00 C ATOM 331 C LYS A 22 1.175 5.626 -12.108 1.00 1.00 C ATOM 332 O LYS A 22 1.796 5.543 -13.167 1.00 1.00 O ATOM 333 CB LYS A 22 -0.366 7.669 -11.999 1.00 1.00 C ATOM 334 CG LYS A 22 0.007 8.325 -13.330 1.00 1.00 C ATOM 335 CD LYS A 22 -1.233 8.545 -14.199 1.00 1.00 C ATOM 336 CE LYS A 22 -0.965 9.593 -15.281 1.00 1.00 C ATOM 337 NZ LYS A 22 -2.137 10.483 -15.442 1.00 1.00 N ATOM 0 H LYS A 22 -0.766 5.892 -10.071 1.00 1.00 H new ATOM 0 HA LYS A 22 -0.714 5.875 -13.046 1.00 1.00 H new ATOM 0 HB2 LYS A 22 -1.381 7.953 -11.722 1.00 1.00 H new ATOM 0 HB3 LYS A 22 0.294 8.035 -11.212 1.00 1.00 H new ATOM 0 HG2 LYS A 22 0.499 9.280 -13.144 1.00 1.00 H new ATOM 0 HG3 LYS A 22 0.721 7.697 -13.862 1.00 1.00 H new ATOM 0 HD2 LYS A 22 -1.527 7.604 -14.664 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -2.067 8.867 -13.575 1.00 1.00 H new ATOM 0 HE2 LYS A 22 -0.087 10.182 -15.016 1.00 1.00 H new ATOM 0 HE3 LYS A 22 -0.743 9.099 -16.227 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -1.938 11.188 -16.180 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -2.966 9.919 -15.716 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -2.331 10.968 -14.543 1.00 1.00 H new ATOM 350 N ALA A 23 1.664 5.289 -10.924 1.00 1.00 N ATOM 351 CA ALA A 23 3.019 4.780 -10.791 1.00 1.00 C ATOM 352 C ALA A 23 3.026 3.279 -11.084 1.00 1.00 C ATOM 353 O ALA A 23 4.060 2.717 -11.443 1.00 1.00 O ATOM 354 CB ALA A 23 3.551 5.104 -9.393 1.00 1.00 C ATOM 0 H ALA A 23 1.146 5.358 -10.048 1.00 1.00 H new ATOM 0 HA ALA A 23 3.682 5.259 -11.511 1.00 1.00 H new ATOM 0 HB1 ALA A 23 4.567 4.722 -9.293 1.00 1.00 H new ATOM 0 HB2 ALA A 23 3.553 6.184 -9.246 1.00 1.00 H new ATOM 0 HB3 ALA A 23 2.912 4.637 -8.643 1.00 1.00 H new ATOM 360 N VAL A 24 1.860 2.670 -10.920 1.00 1.00 N ATOM 361 CA VAL A 24 1.719 1.245 -11.162 1.00 1.00 C ATOM 362 C VAL A 24 0.521 1.005 -12.084 1.00 1.00 C ATOM 363 O VAL A 24 -0.541 0.549 -11.668 1.00 1.00 O ATOM 364 CB VAL A 24 1.609 0.496 -9.833 1.00 1.00 C ATOM 365 CG1 VAL A 24 1.056 -0.915 -10.042 1.00 1.00 C ATOM 366 CG2 VAL A 24 2.959 0.455 -9.113 1.00 1.00 C ATOM 0 H VAL A 24 1.004 3.139 -10.622 1.00 1.00 H new ATOM 0 HA VAL A 24 2.602 0.855 -11.667 1.00 1.00 H new ATOM 0 HB VAL A 24 0.908 1.040 -9.200 1.00 1.00 H new ATOM 0 HG11 VAL A 24 0.988 -1.425 -9.081 1.00 1.00 H new ATOM 0 HG12 VAL A 24 0.065 -0.854 -10.491 1.00 1.00 H new ATOM 0 HG13 VAL A 24 1.720 -1.472 -10.702 1.00 1.00 H new ATOM 0 HG21 VAL A 24 2.853 -0.083 -8.171 1.00 1.00 H new ATOM 0 HG22 VAL A 24 3.691 -0.053 -9.741 1.00 1.00 H new ATOM 0 HG23 VAL A 24 3.296 1.472 -8.914 1.00 1.00 H new ATOM 376 N PRO A 25 0.721 1.328 -13.364 1.00 1.00 N ATOM 377 CA PRO A 25 -0.272 1.182 -14.407 1.00 1.00 C ATOM 378 C PRO A 25 -0.806 -0.243 -14.408 1.00 1.00 C ATOM 379 O PRO A 25 -1.873 -0.478 -14.973 1.00 1.00 O ATOM 380 CB PRO A 25 0.474 1.488 -15.704 1.00 1.00 C ATOM 381 CG PRO A 25 1.619 2.328 -15.303 1.00 1.00 C ATOM 382 CD PRO A 25 1.958 1.867 -13.887 1.00 1.00 C ATOM 0 HA PRO A 25 -1.129 1.843 -14.272 1.00 1.00 H new ATOM 0 HB2 PRO A 25 0.809 0.572 -16.191 1.00 1.00 H new ATOM 0 HB3 PRO A 25 -0.168 2.010 -16.414 1.00 1.00 H new ATOM 0 HG2 PRO A 25 2.465 2.193 -15.977 1.00 1.00 H new ATOM 0 HG3 PRO A 25 1.361 3.387 -15.324 1.00 1.00 H new ATOM 0 HD2 PRO A 25 2.745 1.113 -13.895 1.00 1.00 H new ATOM 0 HD3 PRO A 25 2.317 2.696 -13.277 1.00 1.00 H new ATOM 390 N ASP A 26 -0.069 -1.154 -13.788 1.00 1.00 N ATOM 391 CA ASP A 26 -0.488 -2.544 -13.732 1.00 1.00 C ATOM 392 C ASP A 26 -1.293 -2.779 -12.452 1.00 1.00 C ATOM 393 O ASP A 26 -0.725 -3.090 -11.406 1.00 1.00 O ATOM 394 CB ASP A 26 0.720 -3.483 -13.710 1.00 1.00 C ATOM 395 CG ASP A 26 2.067 -2.810 -13.979 1.00 1.00 C ATOM 396 OD1 ASP A 26 2.856 -2.567 -13.053 1.00 1.00 O ATOM 397 OD2 ASP A 26 2.298 -2.527 -15.216 1.00 1.00 O ATOM 0 H ASP A 26 0.816 -0.956 -13.320 1.00 1.00 H new ATOM 0 HA ASP A 26 -1.089 -2.751 -14.617 1.00 1.00 H new ATOM 0 HB2 ASP A 26 0.763 -3.972 -12.737 1.00 1.00 H new ATOM 0 HB3 ASP A 26 0.567 -4.265 -14.453 1.00 1.00 H new ATOM 403 N CYS A 27 -2.602 -2.621 -12.577 1.00 1.00 N ATOM 404 CA CYS A 27 -3.490 -2.812 -11.443 1.00 1.00 C ATOM 405 C CYS A 27 -3.698 -4.314 -11.243 1.00 1.00 C ATOM 406 O CYS A 27 -4.823 -4.805 -11.328 1.00 1.00 O ATOM 407 CB CYS A 27 -4.816 -2.072 -11.632 1.00 1.00 C ATOM 408 SG CYS A 27 -4.712 -0.559 -12.657 1.00 1.00 S ATOM 0 H CYS A 27 -3.069 -2.363 -13.446 1.00 1.00 H new ATOM 0 HA CYS A 27 -3.037 -2.387 -10.547 1.00 1.00 H new ATOM 0 HB2 CYS A 27 -5.534 -2.754 -12.087 1.00 1.00 H new ATOM 0 HB3 CYS A 27 -5.209 -1.803 -10.651 1.00 1.00 H new ATOM 0 HG CYS A 27 -4.322 -0.873 -13.857 1.00 1.00 H new ATOM 413 N LYS A 28 -2.597 -5.002 -10.982 1.00 1.00 N ATOM 414 CA LYS A 28 -2.644 -6.439 -10.770 1.00 1.00 C ATOM 415 C LYS A 28 -1.722 -6.809 -9.606 1.00 1.00 C ATOM 416 O LYS A 28 -2.115 -7.557 -8.712 1.00 1.00 O ATOM 417 CB LYS A 28 -2.325 -7.183 -12.068 1.00 1.00 C ATOM 418 CG LYS A 28 -1.272 -6.433 -12.886 1.00 1.00 C ATOM 419 CD LYS A 28 -0.844 -7.248 -14.108 1.00 1.00 C ATOM 420 CE LYS A 28 0.430 -6.673 -14.731 1.00 1.00 C ATOM 421 NZ LYS A 28 1.242 -7.751 -15.338 1.00 1.00 N ATOM 0 H LYS A 28 -1.666 -4.591 -10.912 1.00 1.00 H new ATOM 0 HA LYS A 28 -3.651 -6.750 -10.491 1.00 1.00 H new ATOM 0 HB2 LYS A 28 -1.965 -8.186 -11.837 1.00 1.00 H new ATOM 0 HB3 LYS A 28 -3.234 -7.299 -12.658 1.00 1.00 H new ATOM 0 HG2 LYS A 28 -1.673 -5.472 -13.208 1.00 1.00 H new ATOM 0 HG3 LYS A 28 -0.403 -6.223 -12.262 1.00 1.00 H new ATOM 0 HD2 LYS A 28 -0.675 -8.285 -13.817 1.00 1.00 H new ATOM 0 HD3 LYS A 28 -1.645 -7.251 -14.847 1.00 1.00 H new ATOM 0 HE2 LYS A 28 0.170 -5.935 -15.489 1.00 1.00 H new ATOM 0 HE3 LYS A 28 1.013 -6.156 -13.969 1.00 1.00 H new ATOM 0 HZ1 LYS A 28 2.103 -7.344 -15.756 1.00 1.00 H new ATOM 0 HZ2 LYS A 28 1.506 -8.441 -14.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 28 0.689 -8.227 -16.079 1.00 1.00 H new ATOM 434 N LYS A 29 -0.514 -6.268 -9.656 1.00 1.00 N ATOM 435 CA LYS A 29 0.467 -6.532 -8.617 1.00 1.00 C ATOM 436 C LYS A 29 -0.127 -6.166 -7.255 1.00 1.00 C ATOM 437 O LYS A 29 0.329 -6.655 -6.223 1.00 1.00 O ATOM 438 CB LYS A 29 1.782 -5.814 -8.927 1.00 1.00 C ATOM 439 CG LYS A 29 2.289 -6.178 -10.323 1.00 1.00 C ATOM 440 CD LYS A 29 3.276 -7.346 -10.262 1.00 1.00 C ATOM 441 CE LYS A 29 4.510 -7.068 -11.122 1.00 1.00 C ATOM 442 NZ LYS A 29 5.544 -8.102 -10.894 1.00 1.00 N ATOM 0 H LYS A 29 -0.192 -5.648 -10.399 1.00 1.00 H new ATOM 0 HA LYS A 29 0.710 -7.594 -8.584 1.00 1.00 H new ATOM 0 HB2 LYS A 29 1.637 -4.736 -8.859 1.00 1.00 H new ATOM 0 HB3 LYS A 29 2.531 -6.083 -8.182 1.00 1.00 H new ATOM 0 HG2 LYS A 29 1.446 -6.442 -10.962 1.00 1.00 H new ATOM 0 HG3 LYS A 29 2.773 -5.312 -10.775 1.00 1.00 H new ATOM 0 HD2 LYS A 29 3.579 -7.516 -9.229 1.00 1.00 H new ATOM 0 HD3 LYS A 29 2.787 -8.258 -10.605 1.00 1.00 H new ATOM 0 HE2 LYS A 29 4.230 -7.051 -12.175 1.00 1.00 H new ATOM 0 HE3 LYS A 29 4.913 -6.084 -10.883 1.00 1.00 H new ATOM 0 HZ1 LYS A 29 6.375 -7.898 -11.485 1.00 1.00 H new ATOM 0 HZ2 LYS A 29 5.823 -8.099 -9.892 1.00 1.00 H new ATOM 0 HZ3 LYS A 29 5.162 -9.036 -11.144 1.00 1.00 H new ATOM 455 N CYS A 30 -1.137 -5.309 -7.297 1.00 1.00 N ATOM 456 CA CYS A 30 -1.798 -4.871 -6.080 1.00 1.00 C ATOM 457 C CYS A 30 -3.161 -5.563 -5.998 1.00 1.00 C ATOM 458 O CYS A 30 -3.641 -5.870 -4.908 1.00 1.00 O ATOM 459 CB CYS A 30 -1.927 -3.348 -6.022 1.00 1.00 C ATOM 460 SG CYS A 30 -0.707 -2.661 -4.844 1.00 1.00 S ATOM 0 H CYS A 30 -1.513 -4.906 -8.155 1.00 1.00 H new ATOM 0 HA CYS A 30 -1.196 -5.151 -5.216 1.00 1.00 H new ATOM 0 HB2 CYS A 30 -1.767 -2.923 -7.013 1.00 1.00 H new ATOM 0 HB3 CYS A 30 -2.936 -3.072 -5.716 1.00 1.00 H new ATOM 0 HG CYS A 30 -0.823 -1.367 -4.804 1.00 1.00 H new ATOM 465 N HIS A 31 -3.745 -5.788 -7.166 1.00 1.00 N ATOM 466 CA HIS A 31 -5.043 -6.438 -7.240 1.00 1.00 C ATOM 467 C HIS A 31 -4.886 -7.828 -7.858 1.00 1.00 C ATOM 468 O HIS A 31 -4.600 -7.954 -9.048 1.00 1.00 O ATOM 469 CB HIS A 31 -6.046 -5.563 -7.995 1.00 1.00 C ATOM 470 CG HIS A 31 -6.446 -4.309 -7.255 1.00 1.00 C ATOM 471 ND1 HIS A 31 -7.242 -4.328 -6.123 1.00 1.00 N ATOM 472 CD2 HIS A 31 -6.152 -2.999 -7.497 1.00 1.00 C ATOM 473 CE1 HIS A 31 -7.413 -3.081 -5.711 1.00 1.00 C ATOM 474 NE2 HIS A 31 -6.737 -2.259 -6.564 1.00 1.00 N ATOM 0 H HIS A 31 -3.344 -5.532 -8.068 1.00 1.00 H new ATOM 0 HA HIS A 31 -5.447 -6.569 -6.236 1.00 1.00 H new ATOM 0 HB2 HIS A 31 -5.617 -5.283 -8.957 1.00 1.00 H new ATOM 0 HB3 HIS A 31 -6.940 -6.150 -8.204 1.00 1.00 H new ATOM 0 HD1 HIS A 31 -7.631 -5.161 -5.681 1.00 1.00 H new ATOM 0 HD2 HIS A 31 -5.546 -2.627 -8.310 1.00 1.00 H new ATOM 0 HE1 HIS A 31 -7.987 -2.770 -4.851 1.00 1.00 H new ATOM 482 N GLU A 32 -5.079 -8.838 -7.022 1.00 1.00 N ATOM 483 CA GLU A 32 -4.962 -10.215 -7.471 1.00 1.00 C ATOM 484 C GLU A 32 -6.209 -10.624 -8.258 1.00 1.00 C ATOM 485 O GLU A 32 -6.333 -10.306 -9.439 1.00 1.00 O ATOM 486 CB GLU A 32 -4.725 -11.158 -6.290 1.00 1.00 C ATOM 487 CG GLU A 32 -3.243 -11.198 -5.909 1.00 1.00 C ATOM 488 CD GLU A 32 -2.459 -12.116 -6.849 1.00 1.00 C ATOM 489 OE1 GLU A 32 -2.919 -13.225 -7.157 1.00 1.00 O ATOM 490 OE2 GLU A 32 -1.334 -11.640 -7.262 1.00 1.00 O ATOM 0 H GLU A 32 -5.316 -8.730 -6.036 1.00 1.00 H new ATOM 0 HA GLU A 32 -4.098 -10.290 -8.132 1.00 1.00 H new ATOM 0 HB2 GLU A 32 -5.315 -10.830 -5.434 1.00 1.00 H new ATOM 0 HB3 GLU A 32 -5.065 -12.161 -6.547 1.00 1.00 H new ATOM 0 HG2 GLU A 32 -2.827 -10.191 -5.948 1.00 1.00 H new ATOM 0 HG3 GLU A 32 -3.137 -11.548 -4.882 1.00 1.00 H new ATOM 498 N LYS A 33 -7.100 -11.323 -7.570 1.00 1.00 N ATOM 499 CA LYS A 33 -8.333 -11.779 -8.190 1.00 1.00 C ATOM 500 C LYS A 33 -8.863 -10.688 -9.123 1.00 1.00 C ATOM 501 O LYS A 33 -9.510 -10.985 -10.127 1.00 1.00 O ATOM 502 CB LYS A 33 -9.338 -12.217 -7.124 1.00 1.00 C ATOM 503 CG LYS A 33 -9.052 -13.646 -6.655 1.00 1.00 C ATOM 504 CD LYS A 33 -10.295 -14.527 -6.793 1.00 1.00 C ATOM 505 CE LYS A 33 -10.289 -15.279 -8.126 1.00 1.00 C ATOM 506 NZ LYS A 33 -11.372 -16.287 -8.158 1.00 1.00 N ATOM 0 H LYS A 33 -6.993 -11.585 -6.590 1.00 1.00 H new ATOM 0 HA LYS A 33 -8.148 -12.661 -8.803 1.00 1.00 H new ATOM 0 HB2 LYS A 33 -9.293 -11.536 -6.274 1.00 1.00 H new ATOM 0 HB3 LYS A 33 -10.349 -12.158 -7.526 1.00 1.00 H new ATOM 0 HG2 LYS A 33 -8.236 -14.068 -7.241 1.00 1.00 H new ATOM 0 HG3 LYS A 33 -8.725 -13.633 -5.615 1.00 1.00 H new ATOM 0 HD2 LYS A 33 -10.333 -15.240 -5.969 1.00 1.00 H new ATOM 0 HD3 LYS A 33 -11.191 -13.911 -6.723 1.00 1.00 H new ATOM 0 HE2 LYS A 33 -10.416 -14.575 -8.948 1.00 1.00 H new ATOM 0 HE3 LYS A 33 -9.325 -15.767 -8.270 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 -11.353 -16.788 -9.069 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 -11.234 -16.969 -7.385 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 -12.291 -15.813 -8.042 1.00 1.00 H new ATOM 519 N GLY A 34 -8.569 -9.448 -8.760 1.00 1.00 N ATOM 520 CA GLY A 34 -9.008 -8.312 -9.552 1.00 1.00 C ATOM 521 C GLY A 34 -9.094 -7.047 -8.696 1.00 1.00 C ATOM 522 O GLY A 34 -8.815 -7.049 -7.499 1.00 1.00 O ATOM 0 H GLY A 34 -8.032 -9.205 -7.928 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -8.315 -8.150 -10.378 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -9.983 -8.525 -9.991 1.00 1.00 H new ATOM 526 N PRO A 35 -9.494 -5.952 -9.346 1.00 1.00 N ATOM 527 CA PRO A 35 -9.647 -4.650 -8.734 1.00 1.00 C ATOM 528 C PRO A 35 -10.721 -4.716 -7.657 1.00 1.00 C ATOM 529 O PRO A 35 -11.839 -5.131 -7.958 1.00 1.00 O ATOM 530 CB PRO A 35 -10.072 -3.728 -9.875 1.00 1.00 C ATOM 531 CG PRO A 35 -9.600 -4.465 -11.175 1.00 1.00 C ATOM 532 CD PRO A 35 -9.831 -5.915 -10.753 1.00 1.00 C ATOM 0 HA PRO A 35 -8.735 -4.297 -8.253 1.00 1.00 H new ATOM 0 HB2 PRO A 35 -11.151 -3.571 -9.877 1.00 1.00 H new ATOM 0 HB3 PRO A 35 -9.608 -2.746 -9.785 1.00 1.00 H new ATOM 0 HG2 PRO A 35 -10.188 -4.186 -12.049 1.00 1.00 H new ATOM 0 HG3 PRO A 35 -8.556 -4.261 -11.415 1.00 1.00 H new ATOM 0 HD2 PRO A 35 -10.866 -6.215 -10.919 1.00 1.00 H new ATOM 0 HD3 PRO A 35 -9.205 -6.598 -11.327 1.00 1.00 H new ATOM 540 N GLY A 36 -10.371 -4.314 -6.444 1.00 1.00 N ATOM 541 CA GLY A 36 -11.321 -4.338 -5.345 1.00 1.00 C ATOM 542 C GLY A 36 -10.663 -4.854 -4.063 1.00 1.00 C ATOM 543 O GLY A 36 -9.441 -4.814 -3.929 1.00 1.00 O ATOM 0 H GLY A 36 -9.443 -3.970 -6.198 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -11.715 -3.335 -5.178 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -12.167 -4.974 -5.605 1.00 1.00 H new ATOM 547 N LYS A 37 -11.503 -5.327 -3.154 1.00 1.00 N ATOM 548 CA LYS A 37 -11.018 -5.850 -1.888 1.00 1.00 C ATOM 549 C LYS A 37 -9.969 -6.931 -2.156 1.00 1.00 C ATOM 550 O LYS A 37 -10.039 -7.633 -3.164 1.00 1.00 O ATOM 551 CB LYS A 37 -12.187 -6.328 -1.023 1.00 1.00 C ATOM 552 CG LYS A 37 -12.651 -7.722 -1.450 1.00 1.00 C ATOM 553 CD LYS A 37 -13.658 -8.294 -0.451 1.00 1.00 C ATOM 554 CE LYS A 37 -14.283 -9.586 -0.981 1.00 1.00 C ATOM 555 NZ LYS A 37 -15.682 -9.713 -0.517 1.00 1.00 N ATOM 0 H LYS A 37 -12.516 -5.359 -3.269 1.00 1.00 H new ATOM 0 HA LYS A 37 -10.527 -5.064 -1.314 1.00 1.00 H new ATOM 0 HB2 LYS A 37 -11.885 -6.346 0.024 1.00 1.00 H new ATOM 0 HB3 LYS A 37 -13.016 -5.624 -1.104 1.00 1.00 H new ATOM 0 HG2 LYS A 37 -13.104 -7.671 -2.440 1.00 1.00 H new ATOM 0 HG3 LYS A 37 -11.791 -8.388 -1.527 1.00 1.00 H new ATOM 0 HD2 LYS A 37 -13.162 -8.489 0.500 1.00 1.00 H new ATOM 0 HD3 LYS A 37 -14.440 -7.560 -0.257 1.00 1.00 H new ATOM 0 HE2 LYS A 37 -14.253 -9.591 -2.071 1.00 1.00 H new ATOM 0 HE3 LYS A 37 -13.702 -10.444 -0.642 1.00 1.00 H new ATOM 0 HZ1 LYS A 37 -16.091 -10.595 -0.886 1.00 1.00 H new ATOM 0 HZ2 LYS A 37 -15.703 -9.730 0.523 1.00 1.00 H new ATOM 0 HZ3 LYS A 37 -16.237 -8.904 -0.861 1.00 1.00 H new ATOM 568 N ILE A 38 -9.022 -7.033 -1.235 1.00 1.00 N ATOM 569 CA ILE A 38 -7.960 -8.017 -1.360 1.00 1.00 C ATOM 570 C ILE A 38 -8.089 -9.045 -0.234 1.00 1.00 C ATOM 571 O ILE A 38 -8.227 -8.679 0.933 1.00 1.00 O ATOM 572 CB ILE A 38 -6.595 -7.328 -1.410 1.00 1.00 C ATOM 573 CG1 ILE A 38 -6.596 -6.180 -2.422 1.00 1.00 C ATOM 574 CG2 ILE A 38 -5.481 -8.339 -1.692 1.00 1.00 C ATOM 575 CD1 ILE A 38 -5.392 -5.261 -2.211 1.00 1.00 C ATOM 0 H ILE A 38 -8.968 -6.451 -0.399 1.00 1.00 H new ATOM 0 HA ILE A 38 -8.052 -8.560 -2.301 1.00 1.00 H new ATOM 0 HB ILE A 38 -6.396 -6.893 -0.430 1.00 1.00 H new ATOM 0 HG12 ILE A 38 -6.577 -6.583 -3.434 1.00 1.00 H new ATOM 0 HG13 ILE A 38 -7.517 -5.606 -2.325 1.00 1.00 H new ATOM 0 HG21 ILE A 38 -4.521 -7.824 -1.722 1.00 1.00 H new ATOM 0 HG22 ILE A 38 -5.464 -9.091 -0.903 1.00 1.00 H new ATOM 0 HG23 ILE A 38 -5.663 -8.823 -2.651 1.00 1.00 H new ATOM 0 HD11 ILE A 38 -5.417 -4.454 -2.943 1.00 1.00 H new ATOM 0 HD12 ILE A 38 -5.427 -4.840 -1.206 1.00 1.00 H new ATOM 0 HD13 ILE A 38 -4.472 -5.833 -2.333 1.00 1.00 H new ATOM 587 N GLU A 39 -8.039 -10.310 -0.623 1.00 1.00 N ATOM 588 CA GLU A 39 -8.148 -11.394 0.340 1.00 1.00 C ATOM 589 C GLU A 39 -6.757 -11.881 0.750 1.00 1.00 C ATOM 590 O GLU A 39 -6.045 -12.484 -0.051 1.00 1.00 O ATOM 591 CB GLU A 39 -8.988 -12.542 -0.222 1.00 1.00 C ATOM 592 CG GLU A 39 -9.684 -13.313 0.902 1.00 1.00 C ATOM 593 CD GLU A 39 -10.968 -13.975 0.400 1.00 1.00 C ATOM 594 OE1 GLU A 39 -12.052 -13.719 0.946 1.00 1.00 O ATOM 595 OE2 GLU A 39 -10.813 -14.781 -0.595 1.00 1.00 O ATOM 0 H GLU A 39 -7.925 -10.609 -1.591 1.00 1.00 H new ATOM 0 HA GLU A 39 -8.655 -11.017 1.228 1.00 1.00 H new ATOM 0 HB2 GLU A 39 -9.733 -12.148 -0.913 1.00 1.00 H new ATOM 0 HB3 GLU A 39 -8.351 -13.219 -0.792 1.00 1.00 H new ATOM 0 HG2 GLU A 39 -9.010 -14.073 1.298 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -9.917 -12.635 1.723 1.00 1.00 H new ATOM 603 N GLY A 40 -6.412 -11.601 1.998 1.00 1.00 N ATOM 604 CA GLY A 40 -5.119 -12.004 2.525 1.00 1.00 C ATOM 605 C GLY A 40 -4.395 -10.818 3.167 1.00 1.00 C ATOM 606 O GLY A 40 -3.822 -10.947 4.247 1.00 1.00 O ATOM 0 H GLY A 40 -7.005 -11.100 2.660 1.00 1.00 H new ATOM 0 HA2 GLY A 40 -5.253 -12.795 3.263 1.00 1.00 H new ATOM 0 HA3 GLY A 40 -4.508 -12.417 1.722 1.00 1.00 H new ATOM 610 N PHE A 41 -4.445 -9.690 2.474 1.00 1.00 N ATOM 611 CA PHE A 41 -3.801 -8.483 2.962 1.00 1.00 C ATOM 612 C PHE A 41 -4.511 -7.948 4.207 1.00 1.00 C ATOM 613 O PHE A 41 -5.722 -8.105 4.351 1.00 1.00 O ATOM 614 CB PHE A 41 -3.899 -7.440 1.846 1.00 1.00 C ATOM 615 CG PHE A 41 -3.223 -6.109 2.177 1.00 1.00 C ATOM 616 CD1 PHE A 41 -3.762 -5.287 3.117 1.00 1.00 C ATOM 617 CD2 PHE A 41 -2.082 -5.746 1.531 1.00 1.00 C ATOM 618 CE1 PHE A 41 -3.135 -4.051 3.424 1.00 1.00 C ATOM 619 CE2 PHE A 41 -1.454 -4.510 1.838 1.00 1.00 C ATOM 620 CZ PHE A 41 -1.994 -3.689 2.779 1.00 1.00 C ATOM 0 H PHE A 41 -4.922 -9.587 1.578 1.00 1.00 H new ATOM 0 HA PHE A 41 -2.766 -8.696 3.230 1.00 1.00 H new ATOM 0 HB2 PHE A 41 -3.450 -7.848 0.941 1.00 1.00 H new ATOM 0 HB3 PHE A 41 -4.951 -7.257 1.625 1.00 1.00 H new ATOM 0 HD1 PHE A 41 -4.668 -5.575 3.630 1.00 1.00 H new ATOM 0 HD2 PHE A 41 -1.654 -6.398 0.784 1.00 1.00 H new ATOM 0 HE1 PHE A 41 -3.564 -3.398 4.170 1.00 1.00 H new ATOM 0 HE2 PHE A 41 -0.548 -4.222 1.325 1.00 1.00 H new ATOM 0 HZ PHE A 41 -1.516 -2.749 3.014 1.00 1.00 H new ATOM 674 N MET A 45 1.116 -8.394 4.814 1.00 1.00 N ATOM 675 CA MET A 45 1.164 -8.099 3.392 1.00 1.00 C ATOM 676 C MET A 45 1.803 -6.732 3.138 1.00 1.00 C ATOM 677 O MET A 45 2.678 -6.601 2.284 1.00 1.00 O ATOM 678 CB MET A 45 -0.254 -8.115 2.819 1.00 1.00 C ATOM 679 CG MET A 45 -0.662 -9.530 2.406 1.00 1.00 C ATOM 680 SD MET A 45 -0.989 -10.519 3.855 1.00 1.00 S ATOM 681 CE MET A 45 0.313 -11.731 3.704 1.00 1.00 C ATOM 0 HA MET A 45 1.771 -8.860 2.902 1.00 1.00 H new ATOM 0 HB2 MET A 45 -0.954 -7.733 3.562 1.00 1.00 H new ATOM 0 HB3 MET A 45 -0.309 -7.450 1.957 1.00 1.00 H new ATOM 0 HG2 MET A 45 -1.549 -9.492 1.774 1.00 1.00 H new ATOM 0 HG3 MET A 45 0.131 -9.988 1.815 1.00 1.00 H new ATOM 0 HE1 MET A 45 0.255 -12.433 4.536 1.00 1.00 H new ATOM 0 HE2 MET A 45 0.200 -12.272 2.764 1.00 1.00 H new ATOM 0 HE3 MET A 45 1.281 -11.229 3.720 1.00 1.00 H new ATOM 691 N ALA A 46 1.340 -5.748 3.895 1.00 1.00 N ATOM 692 CA ALA A 46 1.855 -4.396 3.762 1.00 1.00 C ATOM 693 C ALA A 46 3.333 -4.377 4.156 1.00 1.00 C ATOM 694 O ALA A 46 4.185 -3.972 3.365 1.00 1.00 O ATOM 695 CB ALA A 46 1.013 -3.443 4.613 1.00 1.00 C ATOM 0 H ALA A 46 0.614 -5.860 4.602 1.00 1.00 H new ATOM 0 HA ALA A 46 1.785 -4.059 2.728 1.00 1.00 H new ATOM 0 HB1 ALA A 46 1.399 -2.429 4.513 1.00 1.00 H new ATOM 0 HB2 ALA A 46 -0.023 -3.472 4.275 1.00 1.00 H new ATOM 0 HB3 ALA A 46 1.062 -3.749 5.658 1.00 1.00 H new ATOM 701 N HIS A 47 3.593 -4.819 5.377 1.00 1.00 N ATOM 702 CA HIS A 47 4.954 -4.858 5.885 1.00 1.00 C ATOM 703 C HIS A 47 5.807 -5.767 4.998 1.00 1.00 C ATOM 704 O HIS A 47 7.034 -5.750 5.084 1.00 1.00 O ATOM 705 CB HIS A 47 4.973 -5.278 7.356 1.00 1.00 C ATOM 706 CG HIS A 47 4.190 -4.363 8.267 1.00 1.00 C ATOM 707 ND1 HIS A 47 3.358 -4.833 9.268 1.00 1.00 N ATOM 708 CD2 HIS A 47 4.122 -3.002 8.317 1.00 1.00 C ATOM 709 CE1 HIS A 47 2.818 -3.793 9.886 1.00 1.00 C ATOM 710 NE2 HIS A 47 3.292 -2.659 9.295 1.00 1.00 N ATOM 0 H HIS A 47 2.884 -5.153 6.030 1.00 1.00 H new ATOM 0 HA HIS A 47 5.389 -3.859 5.847 1.00 1.00 H new ATOM 0 HB2 HIS A 47 4.571 -6.288 7.440 1.00 1.00 H new ATOM 0 HB3 HIS A 47 6.007 -5.317 7.699 1.00 1.00 H new ATOM 0 HD2 HIS A 47 4.653 -2.319 7.671 1.00 1.00 H new ATOM 0 HE1 HIS A 47 2.124 -3.836 10.713 1.00 1.00 H new ATOM 0 HE2 HIS A 47 3.049 -1.705 9.561 1.00 1.00 H new ATOM 718 N GLY A 48 5.124 -6.538 4.165 1.00 1.00 N ATOM 719 CA GLY A 48 5.804 -7.452 3.263 1.00 1.00 C ATOM 720 C GLY A 48 5.236 -7.347 1.846 1.00 1.00 C ATOM 721 O GLY A 48 4.975 -6.249 1.358 1.00 1.00 O ATOM 0 H GLY A 48 4.106 -6.549 4.096 1.00 1.00 H new ATOM 0 HA2 GLY A 48 6.871 -7.228 3.249 1.00 1.00 H new ATOM 0 HA3 GLY A 48 5.698 -8.474 3.627 1.00 1.00 H new ATOM 725 N LYS A 49 5.061 -8.505 1.226 1.00 1.00 N ATOM 726 CA LYS A 49 4.529 -8.558 -0.125 1.00 1.00 C ATOM 727 C LYS A 49 3.136 -7.925 -0.145 1.00 1.00 C ATOM 728 O LYS A 49 2.129 -8.629 -0.085 1.00 1.00 O ATOM 729 CB LYS A 49 4.560 -9.991 -0.658 1.00 1.00 C ATOM 730 CG LYS A 49 4.461 -10.011 -2.184 1.00 1.00 C ATOM 731 CD LYS A 49 5.475 -10.986 -2.787 1.00 1.00 C ATOM 732 CE LYS A 49 6.747 -10.256 -3.221 1.00 1.00 C ATOM 733 NZ LYS A 49 6.483 -9.419 -4.412 1.00 1.00 N ATOM 0 H LYS A 49 5.278 -9.414 1.635 1.00 1.00 H new ATOM 0 HA LYS A 49 5.154 -7.977 -0.803 1.00 1.00 H new ATOM 0 HB2 LYS A 49 5.482 -10.480 -0.344 1.00 1.00 H new ATOM 0 HB3 LYS A 49 3.735 -10.560 -0.229 1.00 1.00 H new ATOM 0 HG2 LYS A 49 3.453 -10.298 -2.483 1.00 1.00 H new ATOM 0 HG3 LYS A 49 4.637 -9.009 -2.576 1.00 1.00 H new ATOM 0 HD2 LYS A 49 5.724 -11.755 -2.056 1.00 1.00 H new ATOM 0 HD3 LYS A 49 5.032 -11.493 -3.644 1.00 1.00 H new ATOM 0 HE2 LYS A 49 7.112 -9.633 -2.405 1.00 1.00 H new ATOM 0 HE3 LYS A 49 7.531 -10.980 -3.444 1.00 1.00 H new ATOM 0 HZ1 LYS A 49 7.371 -9.262 -4.930 1.00 1.00 H new ATOM 0 HZ2 LYS A 49 5.801 -9.902 -5.032 1.00 1.00 H new ATOM 0 HZ3 LYS A 49 6.091 -8.504 -4.113 1.00 1.00 H new ATOM 746 N GLY A 50 3.123 -6.603 -0.228 1.00 1.00 N ATOM 747 CA GLY A 50 1.870 -5.867 -0.256 1.00 1.00 C ATOM 748 C GLY A 50 2.119 -4.366 -0.421 1.00 1.00 C ATOM 749 O GLY A 50 1.454 -3.707 -1.220 1.00 1.00 O ATOM 0 H GLY A 50 3.960 -6.022 -0.277 1.00 1.00 H new ATOM 0 HA2 GLY A 50 1.250 -6.229 -1.076 1.00 1.00 H new ATOM 0 HA3 GLY A 50 1.317 -6.048 0.666 1.00 1.00 H new ATOM 753 N CYS A 51 3.078 -3.870 0.346 1.00 1.00 N ATOM 754 CA CYS A 51 3.423 -2.460 0.294 1.00 1.00 C ATOM 755 C CYS A 51 4.939 -2.330 0.455 1.00 1.00 C ATOM 756 O CYS A 51 5.612 -1.763 -0.405 1.00 1.00 O ATOM 757 CB CYS A 51 2.666 -1.653 1.352 1.00 1.00 C ATOM 758 SG CYS A 51 0.875 -2.014 1.454 1.00 1.00 S ATOM 0 H CYS A 51 3.627 -4.419 1.007 1.00 1.00 H new ATOM 0 HA CYS A 51 3.124 -2.045 -0.669 1.00 1.00 H new ATOM 0 HB2 CYS A 51 3.117 -1.844 2.326 1.00 1.00 H new ATOM 0 HB3 CYS A 51 2.797 -0.591 1.142 1.00 1.00 H new ATOM 0 HG CYS A 51 0.336 -1.278 2.381 1.00 1.00 H new ATOM 763 N LYS A 52 5.433 -2.864 1.563 1.00 1.00 N ATOM 764 CA LYS A 52 6.857 -2.814 1.847 1.00 1.00 C ATOM 765 C LYS A 52 7.604 -3.688 0.839 1.00 1.00 C ATOM 766 O LYS A 52 8.754 -3.409 0.502 1.00 1.00 O ATOM 767 CB LYS A 52 7.125 -3.192 3.306 1.00 1.00 C ATOM 768 CG LYS A 52 8.047 -2.171 3.975 1.00 1.00 C ATOM 769 CD LYS A 52 9.401 -2.796 4.317 1.00 1.00 C ATOM 770 CE LYS A 52 9.572 -2.939 5.831 1.00 1.00 C ATOM 771 NZ LYS A 52 9.220 -4.309 6.266 1.00 1.00 N ATOM 0 H LYS A 52 4.872 -3.333 2.274 1.00 1.00 H new ATOM 0 HA LYS A 52 7.234 -1.798 1.730 1.00 1.00 H new ATOM 0 HB2 LYS A 52 6.182 -3.248 3.850 1.00 1.00 H new ATOM 0 HB3 LYS A 52 7.579 -4.182 3.352 1.00 1.00 H new ATOM 0 HG2 LYS A 52 8.193 -1.318 3.312 1.00 1.00 H new ATOM 0 HG3 LYS A 52 7.578 -1.792 4.883 1.00 1.00 H new ATOM 0 HD2 LYS A 52 9.484 -3.775 3.844 1.00 1.00 H new ATOM 0 HD3 LYS A 52 10.203 -2.178 3.914 1.00 1.00 H new ATOM 0 HE2 LYS A 52 10.602 -2.716 6.109 1.00 1.00 H new ATOM 0 HE3 LYS A 52 8.940 -2.215 6.344 1.00 1.00 H new ATOM 0 HZ1 LYS A 52 8.978 -4.301 7.278 1.00 1.00 H new ATOM 0 HZ2 LYS A 52 8.404 -4.648 5.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 52 10.030 -4.942 6.109 1.00 1.00 H new ATOM 784 N GLY A 53 6.921 -4.729 0.384 1.00 1.00 N ATOM 785 CA GLY A 53 7.506 -5.646 -0.579 1.00 1.00 C ATOM 786 C GLY A 53 7.907 -4.912 -1.861 1.00 1.00 C ATOM 787 O GLY A 53 9.035 -5.050 -2.333 1.00 1.00 O ATOM 0 H GLY A 53 5.967 -4.957 0.665 1.00 1.00 H new ATOM 0 HA2 GLY A 53 8.381 -6.128 -0.143 1.00 1.00 H new ATOM 0 HA3 GLY A 53 6.792 -6.435 -0.815 1.00 1.00 H new ATOM 791 N CYS A 54 6.962 -4.147 -2.387 1.00 1.00 N ATOM 792 CA CYS A 54 7.202 -3.391 -3.604 1.00 1.00 C ATOM 793 C CYS A 54 8.123 -2.216 -3.266 1.00 1.00 C ATOM 794 O CYS A 54 9.005 -1.869 -4.050 1.00 1.00 O ATOM 795 CB CYS A 54 5.895 -2.925 -4.248 1.00 1.00 C ATOM 796 SG CYS A 54 6.235 -2.172 -5.881 1.00 1.00 S ATOM 0 H CYS A 54 6.028 -4.034 -1.992 1.00 1.00 H new ATOM 0 HA CYS A 54 7.686 -4.030 -4.342 1.00 1.00 H new ATOM 0 HB2 CYS A 54 5.215 -3.769 -4.362 1.00 1.00 H new ATOM 0 HB3 CYS A 54 5.399 -2.202 -3.601 1.00 1.00 H new ATOM 0 HG CYS A 54 5.118 -1.782 -6.420 1.00 1.00 H new ATOM 801 N HIS A 55 7.885 -1.636 -2.099 1.00 1.00 N ATOM 802 CA HIS A 55 8.682 -0.508 -1.648 1.00 1.00 C ATOM 803 C HIS A 55 10.144 -0.937 -1.503 1.00 1.00 C ATOM 804 O HIS A 55 11.047 -0.238 -1.959 1.00 1.00 O ATOM 805 CB HIS A 55 8.107 0.082 -0.359 1.00 1.00 C ATOM 806 CG HIS A 55 6.749 0.721 -0.529 1.00 1.00 C ATOM 807 ND1 HIS A 55 5.902 0.976 0.536 1.00 1.00 N ATOM 808 CD2 HIS A 55 6.101 1.154 -1.648 1.00 1.00 C ATOM 809 CE1 HIS A 55 4.797 1.536 0.067 1.00 1.00 C ATOM 810 NE2 HIS A 55 4.922 1.645 -1.287 1.00 1.00 N ATOM 0 H HIS A 55 7.152 -1.926 -1.452 1.00 1.00 H new ATOM 0 HA HIS A 55 8.645 0.288 -2.392 1.00 1.00 H new ATOM 0 HB2 HIS A 55 8.035 -0.707 0.389 1.00 1.00 H new ATOM 0 HB3 HIS A 55 8.802 0.827 0.029 1.00 1.00 H new ATOM 0 HD1 HIS A 55 6.096 0.768 1.516 1.00 1.00 H new ATOM 0 HD2 HIS A 55 6.483 1.106 -2.657 1.00 1.00 H new ATOM 0 HE1 HIS A 55 3.947 1.851 0.654 1.00 1.00 H new ATOM 818 N GLU A 56 10.330 -2.084 -0.867 1.00 1.00 N ATOM 819 CA GLU A 56 11.666 -2.614 -0.656 1.00 1.00 C ATOM 820 C GLU A 56 12.197 -3.243 -1.946 1.00 1.00 C ATOM 821 O GLU A 56 13.408 -3.350 -2.136 1.00 1.00 O ATOM 822 CB GLU A 56 11.680 -3.625 0.493 1.00 1.00 C ATOM 823 CG GLU A 56 11.441 -2.932 1.836 1.00 1.00 C ATOM 824 CD GLU A 56 12.735 -2.318 2.374 1.00 1.00 C ATOM 825 OE1 GLU A 56 13.670 -2.066 1.600 1.00 1.00 O ATOM 826 OE2 GLU A 56 12.748 -2.103 3.646 1.00 1.00 O ATOM 0 H GLU A 56 9.578 -2.661 -0.491 1.00 1.00 H new ATOM 0 HA GLU A 56 12.323 -1.790 -0.379 1.00 1.00 H new ATOM 0 HB2 GLU A 56 10.911 -4.380 0.327 1.00 1.00 H new ATOM 0 HB3 GLU A 56 12.638 -4.145 0.513 1.00 1.00 H new ATOM 0 HG2 GLU A 56 10.686 -2.154 1.719 1.00 1.00 H new ATOM 0 HG3 GLU A 56 11.049 -3.651 2.555 1.00 1.00 H new ATOM 834 N GLU A 57 11.265 -3.643 -2.799 1.00 1.00 N ATOM 835 CA GLU A 57 11.625 -4.258 -4.065 1.00 1.00 C ATOM 836 C GLU A 57 12.009 -3.185 -5.086 1.00 1.00 C ATOM 837 O GLU A 57 12.981 -3.344 -5.823 1.00 1.00 O ATOM 838 CB GLU A 57 10.486 -5.134 -4.592 1.00 1.00 C ATOM 839 CG GLU A 57 10.820 -5.694 -5.976 1.00 1.00 C ATOM 840 CD GLU A 57 11.706 -6.936 -5.864 1.00 1.00 C ATOM 841 OE1 GLU A 57 11.211 -8.065 -5.998 1.00 1.00 O ATOM 842 OE2 GLU A 57 12.953 -6.698 -5.631 1.00 1.00 O ATOM 0 H GLU A 57 10.262 -3.553 -2.638 1.00 1.00 H new ATOM 0 HA GLU A 57 12.489 -4.902 -3.902 1.00 1.00 H new ATOM 0 HB2 GLU A 57 10.303 -5.955 -3.898 1.00 1.00 H new ATOM 0 HB3 GLU A 57 9.567 -4.550 -4.644 1.00 1.00 H new ATOM 0 HG2 GLU A 57 9.899 -5.946 -6.503 1.00 1.00 H new ATOM 0 HG3 GLU A 57 11.328 -4.932 -6.568 1.00 1.00 H new ATOM 850 N MET A 58 11.226 -2.117 -5.098 1.00 1.00 N ATOM 851 CA MET A 58 11.472 -1.018 -6.016 1.00 1.00 C ATOM 852 C MET A 58 12.405 0.020 -5.391 1.00 1.00 C ATOM 853 O MET A 58 13.318 0.516 -6.050 1.00 1.00 O ATOM 854 CB MET A 58 10.144 -0.354 -6.386 1.00 1.00 C ATOM 855 CG MET A 58 9.289 -1.283 -7.252 1.00 1.00 C ATOM 856 SD MET A 58 8.216 -0.319 -8.304 1.00 1.00 S ATOM 857 CE MET A 58 8.318 -1.274 -9.809 1.00 1.00 C ATOM 0 H MET A 58 10.420 -1.989 -4.486 1.00 1.00 H new ATOM 0 HA MET A 58 11.950 -1.417 -6.910 1.00 1.00 H new ATOM 0 HB2 MET A 58 9.599 -0.092 -5.479 1.00 1.00 H new ATOM 0 HB3 MET A 58 10.335 0.576 -6.922 1.00 1.00 H new ATOM 0 HG2 MET A 58 9.931 -1.921 -7.860 1.00 1.00 H new ATOM 0 HG3 MET A 58 8.695 -1.941 -6.618 1.00 1.00 H new ATOM 0 HE1 MET A 58 7.701 -0.808 -10.578 1.00 1.00 H new ATOM 0 HE2 MET A 58 9.354 -1.311 -10.147 1.00 1.00 H new ATOM 0 HE3 MET A 58 7.961 -2.287 -9.622 1.00 1.00 H new ATOM 867 N LYS A 59 12.145 0.319 -4.127 1.00 1.00 N ATOM 868 CA LYS A 59 12.950 1.289 -3.406 1.00 1.00 C ATOM 869 C LYS A 59 12.507 2.701 -3.792 1.00 1.00 C ATOM 870 O LYS A 59 13.340 3.572 -4.041 1.00 1.00 O ATOM 871 CB LYS A 59 14.440 1.028 -3.638 1.00 1.00 C ATOM 872 CG LYS A 59 14.768 -0.458 -3.471 1.00 1.00 C ATOM 873 CD LYS A 59 15.232 -0.760 -2.045 1.00 1.00 C ATOM 874 CE LYS A 59 16.756 -0.674 -1.935 1.00 1.00 C ATOM 875 NZ LYS A 59 17.147 0.335 -0.924 1.00 1.00 N ATOM 0 H LYS A 59 11.387 -0.094 -3.583 1.00 1.00 H new ATOM 0 HA LYS A 59 12.795 1.188 -2.332 1.00 1.00 H new ATOM 0 HB2 LYS A 59 14.719 1.356 -4.640 1.00 1.00 H new ATOM 0 HB3 LYS A 59 15.030 1.616 -2.935 1.00 1.00 H new ATOM 0 HG2 LYS A 59 13.888 -1.057 -3.705 1.00 1.00 H new ATOM 0 HG3 LYS A 59 15.546 -0.744 -4.179 1.00 1.00 H new ATOM 0 HD2 LYS A 59 14.773 -0.054 -1.352 1.00 1.00 H new ATOM 0 HD3 LYS A 59 14.898 -1.756 -1.753 1.00 1.00 H new ATOM 0 HE2 LYS A 59 17.162 -1.648 -1.662 1.00 1.00 H new ATOM 0 HE3 LYS A 59 17.182 -0.411 -2.903 1.00 1.00 H new ATOM 0 HZ1 LYS A 59 18.184 0.381 -0.862 1.00 1.00 H new ATOM 0 HZ2 LYS A 59 16.775 1.266 -1.201 1.00 1.00 H new ATOM 0 HZ3 LYS A 59 16.756 0.068 0.002 1.00 1.00 H new ATOM 888 N LYS A 60 11.195 2.886 -3.831 1.00 1.00 N ATOM 889 CA LYS A 60 10.631 4.177 -4.183 1.00 1.00 C ATOM 890 C LYS A 60 9.675 4.630 -3.077 1.00 1.00 C ATOM 891 O LYS A 60 9.678 5.797 -2.688 1.00 1.00 O ATOM 892 CB LYS A 60 9.985 4.120 -5.569 1.00 1.00 C ATOM 893 CG LYS A 60 10.467 5.277 -6.447 1.00 1.00 C ATOM 894 CD LYS A 60 11.701 4.872 -7.257 1.00 1.00 C ATOM 895 CE LYS A 60 11.304 4.370 -8.646 1.00 1.00 C ATOM 896 NZ LYS A 60 12.040 3.130 -8.979 1.00 1.00 N ATOM 0 H LYS A 60 10.507 2.162 -3.624 1.00 1.00 H new ATOM 0 HA LYS A 60 11.417 4.929 -4.254 1.00 1.00 H new ATOM 0 HB2 LYS A 60 10.226 3.171 -6.048 1.00 1.00 H new ATOM 0 HB3 LYS A 60 8.900 4.161 -5.470 1.00 1.00 H new ATOM 0 HG2 LYS A 60 9.668 5.583 -7.123 1.00 1.00 H new ATOM 0 HG3 LYS A 60 10.704 6.138 -5.822 1.00 1.00 H new ATOM 0 HD2 LYS A 60 12.373 5.725 -7.353 1.00 1.00 H new ATOM 0 HD3 LYS A 60 12.248 4.092 -6.727 1.00 1.00 H new ATOM 0 HE2 LYS A 60 10.231 4.183 -8.678 1.00 1.00 H new ATOM 0 HE3 LYS A 60 11.516 5.137 -9.391 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 11.759 2.803 -9.925 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 13.063 3.320 -8.968 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 11.817 2.395 -8.278 1.00 1.00 H new ATOM 909 N GLY A 61 8.879 3.683 -2.602 1.00 1.00 N ATOM 910 CA GLY A 61 7.920 3.969 -1.549 1.00 1.00 C ATOM 911 C GLY A 61 8.601 3.990 -0.179 1.00 1.00 C ATOM 912 O GLY A 61 9.817 3.867 -0.052 1.00 1.00 O ATOM 0 H GLY A 61 8.879 2.716 -2.928 1.00 1.00 H new ATOM 0 HA2 GLY A 61 7.444 4.931 -1.737 1.00 1.00 H new ATOM 0 HA3 GLY A 61 7.132 3.216 -1.556 1.00 1.00 H new ATOM 916 N PRO A 62 7.775 4.149 0.859 1.00 1.00 N ATOM 917 CA PRO A 62 8.202 4.196 2.241 1.00 1.00 C ATOM 918 C PRO A 62 8.605 2.802 2.698 1.00 1.00 C ATOM 919 O PRO A 62 7.913 1.843 2.360 1.00 1.00 O ATOM 920 CB PRO A 62 6.980 4.693 3.011 1.00 1.00 C ATOM 921 CG PRO A 62 5.807 4.055 2.156 1.00 1.00 C ATOM 922 CD PRO A 62 6.340 4.297 0.746 1.00 1.00 C ATOM 0 HA PRO A 62 9.065 4.844 2.397 1.00 1.00 H new ATOM 0 HB2 PRO A 62 6.974 4.346 4.044 1.00 1.00 H new ATOM 0 HB3 PRO A 62 6.925 5.781 3.040 1.00 1.00 H new ATOM 0 HG2 PRO A 62 5.664 2.996 2.371 1.00 1.00 H new ATOM 0 HG3 PRO A 62 4.850 4.547 2.329 1.00 1.00 H new ATOM 0 HD2 PRO A 62 5.924 3.580 0.038 1.00 1.00 H new ATOM 0 HD3 PRO A 62 6.072 5.291 0.388 1.00 1.00 H new ATOM 930 N THR A 63 9.697 2.714 3.443 1.00 1.00 N ATOM 931 CA THR A 63 10.170 1.429 3.930 1.00 1.00 C ATOM 932 C THR A 63 10.586 1.535 5.398 1.00 1.00 C ATOM 933 O THR A 63 11.430 0.772 5.864 1.00 1.00 O ATOM 934 CB THR A 63 11.299 0.961 3.010 1.00 1.00 C ATOM 935 OG1 THR A 63 11.884 2.170 2.535 1.00 1.00 O ATOM 936 CG2 THR A 63 10.778 0.277 1.744 1.00 1.00 C ATOM 0 H THR A 63 10.268 3.512 3.721 1.00 1.00 H new ATOM 0 HA THR A 63 9.378 0.680 3.903 1.00 1.00 H new ATOM 0 HB THR A 63 11.948 0.274 3.553 1.00 1.00 H new ATOM 0 HG1 THR A 63 12.627 1.959 1.932 1.00 1.00 H new ATOM 0 HG21 THR A 63 11.620 -0.035 1.126 1.00 1.00 H new ATOM 0 HG22 THR A 63 10.186 -0.596 2.019 1.00 1.00 H new ATOM 0 HG23 THR A 63 10.156 0.975 1.183 1.00 1.00 H new ATOM 944 N LYS A 64 9.975 2.489 6.086 1.00 1.00 N ATOM 945 CA LYS A 64 10.272 2.705 7.491 1.00 1.00 C ATOM 946 C LYS A 64 8.965 2.908 8.259 1.00 1.00 C ATOM 947 O LYS A 64 7.957 3.311 7.680 1.00 1.00 O ATOM 948 CB LYS A 64 11.268 3.855 7.658 1.00 1.00 C ATOM 949 CG LYS A 64 12.510 3.397 8.425 1.00 1.00 C ATOM 950 CD LYS A 64 12.165 3.057 9.876 1.00 1.00 C ATOM 951 CE LYS A 64 13.328 3.394 10.811 1.00 1.00 C ATOM 952 NZ LYS A 64 13.239 2.600 12.057 1.00 1.00 N ATOM 0 H LYS A 64 9.276 3.121 5.696 1.00 1.00 H new ATOM 0 HA LYS A 64 10.759 1.827 7.916 1.00 1.00 H new ATOM 0 HB2 LYS A 64 11.560 4.233 6.678 1.00 1.00 H new ATOM 0 HB3 LYS A 64 10.792 4.679 8.189 1.00 1.00 H new ATOM 0 HG2 LYS A 64 12.942 2.524 7.936 1.00 1.00 H new ATOM 0 HG3 LYS A 64 13.266 4.182 8.402 1.00 1.00 H new ATOM 0 HD2 LYS A 64 11.277 3.610 10.181 1.00 1.00 H new ATOM 0 HD3 LYS A 64 11.924 1.997 9.957 1.00 1.00 H new ATOM 0 HE2 LYS A 64 14.275 3.191 10.311 1.00 1.00 H new ATOM 0 HE3 LYS A 64 13.314 4.458 11.049 1.00 1.00 H new ATOM 0 HZ1 LYS A 64 14.036 2.841 12.680 1.00 1.00 H new ATOM 0 HZ2 LYS A 64 12.344 2.813 12.541 1.00 1.00 H new ATOM 0 HZ3 LYS A 64 13.275 1.587 11.826 1.00 1.00 H new ATOM 965 N CYS A 65 9.023 2.620 9.551 1.00 1.00 N ATOM 966 CA CYS A 65 7.856 2.767 10.404 1.00 1.00 C ATOM 967 C CYS A 65 7.415 4.231 10.368 1.00 1.00 C ATOM 968 O CYS A 65 6.221 4.522 10.312 1.00 1.00 O ATOM 969 CB CYS A 65 8.135 2.290 11.831 1.00 1.00 C ATOM 970 SG CYS A 65 9.221 0.822 11.951 1.00 1.00 S ATOM 0 H CYS A 65 9.860 2.285 10.028 1.00 1.00 H new ATOM 0 HA CYS A 65 7.049 2.137 10.031 1.00 1.00 H new ATOM 0 HB2 CYS A 65 8.590 3.108 12.390 1.00 1.00 H new ATOM 0 HB3 CYS A 65 7.185 2.063 12.315 1.00 1.00 H new ATOM 0 HG CYS A 65 9.391 0.509 13.201 1.00 1.00 H new ATOM 975 N GLY A 66 8.402 5.114 10.400 1.00 1.00 N ATOM 976 CA GLY A 66 8.130 6.541 10.371 1.00 1.00 C ATOM 977 C GLY A 66 8.033 7.052 8.932 1.00 1.00 C ATOM 978 O GLY A 66 8.107 8.256 8.691 1.00 1.00 O ATOM 0 H GLY A 66 9.391 4.869 10.446 1.00 1.00 H new ATOM 0 HA2 GLY A 66 7.198 6.748 10.898 1.00 1.00 H new ATOM 0 HA3 GLY A 66 8.920 7.076 10.898 1.00 1.00 H new ATOM 982 N GLU A 67 7.868 6.111 8.014 1.00 1.00 N ATOM 983 CA GLU A 67 7.759 6.451 6.606 1.00 1.00 C ATOM 984 C GLU A 67 6.380 6.060 6.070 1.00 1.00 C ATOM 985 O GLU A 67 6.070 6.307 4.906 1.00 1.00 O ATOM 986 CB GLU A 67 8.872 5.785 5.794 1.00 1.00 C ATOM 987 CG GLU A 67 9.727 6.830 5.075 1.00 1.00 C ATOM 988 CD GLU A 67 10.374 6.240 3.820 1.00 1.00 C ATOM 989 OE1 GLU A 67 10.153 6.748 2.711 1.00 1.00 O ATOM 990 OE2 GLU A 67 11.131 5.216 4.027 1.00 1.00 O ATOM 0 H GLU A 67 7.807 5.113 8.218 1.00 1.00 H new ATOM 0 HA GLU A 67 7.874 7.530 6.503 1.00 1.00 H new ATOM 0 HB2 GLU A 67 9.501 5.187 6.454 1.00 1.00 H new ATOM 0 HB3 GLU A 67 8.436 5.102 5.065 1.00 1.00 H new ATOM 0 HG2 GLU A 67 9.109 7.685 4.802 1.00 1.00 H new ATOM 0 HG3 GLU A 67 10.501 7.198 5.749 1.00 1.00 H new ATOM 998 N CYS A 68 5.590 5.458 6.946 1.00 1.00 N ATOM 999 CA CYS A 68 4.251 5.030 6.576 1.00 1.00 C ATOM 1000 C CYS A 68 3.276 5.525 7.646 1.00 1.00 C ATOM 1001 O CYS A 68 2.374 6.308 7.355 1.00 1.00 O ATOM 1002 CB CYS A 68 4.173 3.514 6.389 1.00 1.00 C ATOM 1003 SG CYS A 68 4.040 3.109 4.609 1.00 1.00 S ATOM 0 H CYS A 68 5.851 5.256 7.911 1.00 1.00 H new ATOM 0 HA CYS A 68 3.981 5.462 5.612 1.00 1.00 H new ATOM 0 HB2 CYS A 68 5.059 3.041 6.813 1.00 1.00 H new ATOM 0 HB3 CYS A 68 3.312 3.117 6.926 1.00 1.00 H new ATOM 0 HG CYS A 68 3.977 1.819 4.461 1.00 1.00 H new ATOM 1008 N HIS A 69 3.490 5.046 8.863 1.00 1.00 N ATOM 1009 CA HIS A 69 2.641 5.429 9.978 1.00 1.00 C ATOM 1010 C HIS A 69 2.941 6.875 10.377 1.00 1.00 C ATOM 1011 O HIS A 69 3.982 7.157 10.968 1.00 1.00 O ATOM 1012 CB HIS A 69 2.798 4.448 11.142 1.00 1.00 C ATOM 1013 CG HIS A 69 2.410 3.028 10.805 1.00 1.00 C ATOM 1014 ND1 HIS A 69 1.094 2.629 10.645 1.00 1.00 N ATOM 1015 CD2 HIS A 69 3.177 1.920 10.599 1.00 1.00 C ATOM 1016 CE1 HIS A 69 1.083 1.336 10.356 1.00 1.00 C ATOM 1017 NE2 HIS A 69 2.374 0.898 10.329 1.00 1.00 N ATOM 0 H HIS A 69 4.239 4.396 9.101 1.00 1.00 H new ATOM 0 HA HIS A 69 1.594 5.381 9.677 1.00 1.00 H new ATOM 0 HB2 HIS A 69 3.835 4.461 11.477 1.00 1.00 H new ATOM 0 HB3 HIS A 69 2.189 4.792 11.978 1.00 1.00 H new ATOM 0 HD1 HIS A 69 0.273 3.228 10.734 1.00 1.00 H new ATOM 0 HD2 HIS A 69 4.255 1.880 10.647 1.00 1.00 H new ATOM 0 HE1 HIS A 69 0.205 0.734 10.174 1.00 1.00 H new ATOM 1025 N LYS A 70 2.008 7.754 10.039 1.00 1.00 N ATOM 1026 CA LYS A 70 2.159 9.164 10.355 1.00 1.00 C ATOM 1027 C LYS A 70 0.777 9.787 10.560 1.00 1.00 C ATOM 1028 O LYS A 70 0.000 9.909 9.614 1.00 1.00 O ATOM 1029 CB LYS A 70 2.997 9.866 9.285 1.00 1.00 C ATOM 1030 CG LYS A 70 2.989 11.383 9.489 1.00 1.00 C ATOM 1031 CD LYS A 70 3.184 12.116 8.160 1.00 1.00 C ATOM 1032 CE LYS A 70 4.671 12.302 7.851 1.00 1.00 C ATOM 1033 NZ LYS A 70 4.891 13.559 7.101 1.00 1.00 N ATOM 0 H LYS A 70 1.145 7.517 9.550 1.00 1.00 H new ATOM 0 HA LYS A 70 2.707 9.288 11.289 1.00 1.00 H new ATOM 0 HB2 LYS A 70 4.022 9.496 9.320 1.00 1.00 H new ATOM 0 HB3 LYS A 70 2.605 9.626 8.296 1.00 1.00 H new ATOM 0 HG2 LYS A 70 2.045 11.688 9.941 1.00 1.00 H new ATOM 0 HG3 LYS A 70 3.781 11.664 10.183 1.00 1.00 H new ATOM 0 HD2 LYS A 70 2.709 11.553 7.357 1.00 1.00 H new ATOM 0 HD3 LYS A 70 2.693 13.088 8.201 1.00 1.00 H new ATOM 0 HE2 LYS A 70 5.242 12.321 8.779 1.00 1.00 H new ATOM 0 HE3 LYS A 70 5.036 11.456 7.269 1.00 1.00 H new ATOM 0 HZ1 LYS A 70 5.905 13.670 6.899 1.00 1.00 H new ATOM 0 HZ2 LYS A 70 4.362 13.527 6.206 1.00 1.00 H new ATOM 0 HZ3 LYS A 70 4.561 14.365 7.670 1.00 1.00 H new ATOM 1046 N LYS A 71 0.512 10.165 11.802 1.00 1.00 N ATOM 1047 CA LYS A 71 -0.763 10.772 12.144 1.00 1.00 C ATOM 1048 C LYS A 71 -0.932 12.072 11.354 1.00 1.00 C ATOM 1049 O LYS A 71 -0.963 12.056 10.125 1.00 1.00 O ATOM 1050 CB LYS A 71 -0.882 10.953 13.658 1.00 1.00 C ATOM 1051 CG LYS A 71 -1.925 12.018 14.003 1.00 1.00 C ATOM 1052 CD LYS A 71 -2.821 11.556 15.154 1.00 1.00 C ATOM 1053 CE LYS A 71 -2.305 12.081 16.495 1.00 1.00 C ATOM 1054 NZ LYS A 71 -2.971 11.381 17.616 1.00 1.00 N ATOM 0 H LYS A 71 1.159 10.063 12.584 1.00 1.00 H new ATOM 0 HA LYS A 71 -1.586 10.116 11.860 1.00 1.00 H new ATOM 0 HB2 LYS A 71 -1.158 10.005 14.120 1.00 1.00 H new ATOM 0 HB3 LYS A 71 0.085 11.239 14.071 1.00 1.00 H new ATOM 0 HG2 LYS A 71 -1.425 12.947 14.277 1.00 1.00 H new ATOM 0 HG3 LYS A 71 -2.535 12.232 13.126 1.00 1.00 H new ATOM 0 HD2 LYS A 71 -3.840 11.907 14.990 1.00 1.00 H new ATOM 0 HD3 LYS A 71 -2.858 10.467 15.176 1.00 1.00 H new ATOM 0 HE2 LYS A 71 -1.226 11.937 16.558 1.00 1.00 H new ATOM 0 HE3 LYS A 71 -2.488 13.153 16.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 71 -2.609 11.749 18.519 1.00 1.00 H new ATOM 0 HZ2 LYS A 71 -3.997 11.540 17.564 1.00 1.00 H new ATOM 0 HZ3 LYS A 71 -2.775 10.362 17.554 1.00 1.00 H new