USER MOD reduce.3.24.130724 H: found=0, std=0, add=510, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 507 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 33 THR OG1 : rot -69:sc= 1.11 USER MOD Set 1.2: A 56 HIS : no HD1:sc= -0.234 K(o=0.87,f=0.17) USER MOD Set 1.3: A 59 SER OG : rot 170:sc= 0 USER MOD Set 1.4: A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 2 SER OG : rot -140:sc= 1.4 USER MOD Set 2.2: A 4 THR OG1 : rot 180:sc= 0.995 USER MOD Single : A 1 GLY N :NH3+ -140:sc= 0.0203 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -173:sc= 0.681 (180deg=0.657) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 CYS SG : rot 180:sc= -0.153 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ -172:sc= 1.2 (180deg=1.02) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= 0.0766 K(o=0.077,f=-3!) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -14.069 -7.945 -27.756 1.00 59.95 N ATOM 2 CA GLY A 1 -14.205 -9.228 -27.059 1.00 59.53 C ATOM 3 C GLY A 1 -14.838 -9.025 -25.702 1.00 58.87 C ATOM 4 O GLY A 1 -15.792 -8.260 -25.576 1.00 59.16 O ATOM 0 H1 GLY A 1 -14.298 -8.071 -28.763 1.00 59.95 H new ATOM 0 H2 GLY A 1 -14.720 -7.251 -27.337 1.00 59.95 H new ATOM 0 H3 GLY A 1 -13.092 -7.602 -27.664 1.00 59.95 H new ATOM 0 HA2 GLY A 1 -14.814 -9.909 -27.653 1.00 59.53 H new ATOM 0 HA3 GLY A 1 -13.226 -9.693 -26.945 1.00 59.53 H new ATOM 10 N SER A 2 -14.306 -9.686 -24.675 1.00 58.04 N ATOM 11 CA SER A 2 -14.707 -9.532 -23.271 1.00 57.37 C ATOM 12 C SER A 2 -13.521 -9.738 -22.321 1.00 56.24 C ATOM 13 O SER A 2 -12.603 -10.508 -22.613 1.00 56.10 O ATOM 14 CB SER A 2 -15.802 -10.552 -22.935 1.00 57.70 C ATOM 15 OG SER A 2 -16.248 -10.409 -21.596 1.00 57.36 O ATOM 0 H SER A 2 -13.558 -10.368 -24.798 1.00 58.04 H new ATOM 0 HA SER A 2 -15.080 -8.517 -23.139 1.00 57.37 H new ATOM 0 HB2 SER A 2 -16.643 -10.423 -23.616 1.00 57.70 H new ATOM 0 HB3 SER A 2 -15.420 -11.562 -23.087 1.00 57.70 H new ATOM 0 HG SER A 2 -16.392 -11.295 -21.203 1.00 57.36 H new ATOM 21 N PHE A 3 -13.577 -9.109 -21.145 1.00 55.51 N ATOM 22 CA PHE A 3 -12.680 -9.378 -20.017 1.00 54.52 C ATOM 23 C PHE A 3 -12.870 -10.796 -19.439 1.00 53.90 C ATOM 24 O PHE A 3 -11.935 -11.356 -18.872 1.00 53.25 O ATOM 25 CB PHE A 3 -12.928 -8.299 -18.952 1.00 54.36 C ATOM 26 CG PHE A 3 -12.064 -8.412 -17.710 1.00 53.92 C ATOM 27 CD1 PHE A 3 -10.807 -7.782 -17.659 1.00 53.49 C ATOM 28 CD2 PHE A 3 -12.521 -9.146 -16.598 1.00 54.06 C ATOM 29 CE1 PHE A 3 -10.009 -7.893 -16.505 1.00 53.18 C ATOM 30 CE2 PHE A 3 -11.717 -9.265 -15.450 1.00 53.75 C ATOM 31 CZ PHE A 3 -10.460 -8.638 -15.403 1.00 53.31 C ATOM 0 H PHE A 3 -14.263 -8.381 -20.945 1.00 55.51 H new ATOM 0 HA PHE A 3 -11.646 -9.340 -20.361 1.00 54.52 H new ATOM 0 HB2 PHE A 3 -12.763 -7.320 -19.403 1.00 54.36 H new ATOM 0 HB3 PHE A 3 -13.975 -8.340 -18.652 1.00 54.36 H new ATOM 0 HD1 PHE A 3 -10.454 -7.213 -18.506 1.00 53.49 H new ATOM 0 HD2 PHE A 3 -13.492 -9.619 -16.627 1.00 54.06 H new ATOM 0 HE1 PHE A 3 -9.047 -7.404 -16.467 1.00 53.18 H new ATOM 0 HE2 PHE A 3 -12.066 -9.839 -14.604 1.00 53.75 H new ATOM 0 HZ PHE A 3 -9.842 -8.729 -14.522 1.00 53.31 H new ATOM 41 N THR A 4 -14.045 -11.413 -19.626 1.00 54.22 N ATOM 42 CA THR A 4 -14.346 -12.788 -19.157 1.00 53.83 C ATOM 43 C THR A 4 -13.541 -13.886 -19.873 1.00 54.09 C ATOM 44 O THR A 4 -13.512 -15.034 -19.418 1.00 54.48 O ATOM 45 CB THR A 4 -15.843 -13.109 -19.306 1.00 54.25 C ATOM 46 OG1 THR A 4 -16.249 -13.004 -20.654 1.00 54.96 O ATOM 47 CG2 THR A 4 -16.735 -12.181 -18.483 1.00 54.11 C ATOM 0 H THR A 4 -14.827 -10.973 -20.112 1.00 54.22 H new ATOM 0 HA THR A 4 -14.051 -12.793 -18.108 1.00 53.83 H new ATOM 0 HB THR A 4 -15.960 -14.129 -18.940 1.00 54.25 H new ATOM 0 HG1 THR A 4 -17.204 -13.214 -20.725 1.00 54.96 H new ATOM 0 HG21 THR A 4 -17.779 -12.456 -18.629 1.00 54.11 H new ATOM 0 HG22 THR A 4 -16.480 -12.273 -17.427 1.00 54.11 H new ATOM 0 HG23 THR A 4 -16.583 -11.151 -18.805 1.00 54.11 H new ATOM 55 N MET A 5 -12.867 -13.540 -20.972 1.00 53.94 N ATOM 56 CA MET A 5 -12.040 -14.421 -21.799 1.00 54.23 C ATOM 57 C MET A 5 -10.815 -14.954 -21.011 1.00 53.30 C ATOM 58 O MET A 5 -10.267 -14.224 -20.177 1.00 52.17 O ATOM 59 CB MET A 5 -11.671 -13.590 -23.041 1.00 54.35 C ATOM 60 CG MET A 5 -11.090 -14.326 -24.247 1.00 55.04 C ATOM 61 SD MET A 5 -9.388 -14.921 -24.117 1.00 54.54 S ATOM 62 CE MET A 5 -9.085 -15.308 -25.859 1.00 55.67 C ATOM 0 H MET A 5 -12.885 -12.584 -21.328 1.00 53.94 H new ATOM 0 HA MET A 5 -12.567 -15.326 -22.101 1.00 54.23 H new ATOM 0 HB2 MET A 5 -12.567 -13.064 -23.370 1.00 54.35 H new ATOM 0 HB3 MET A 5 -10.951 -12.831 -22.734 1.00 54.35 H new ATOM 0 HG2 MET A 5 -11.731 -15.182 -24.460 1.00 55.04 H new ATOM 0 HG3 MET A 5 -11.149 -13.661 -25.108 1.00 55.04 H new ATOM 0 HE1 MET A 5 -8.072 -15.693 -25.975 1.00 55.67 H new ATOM 0 HE2 MET A 5 -9.800 -16.060 -26.194 1.00 55.67 H new ATOM 0 HE3 MET A 5 -9.201 -14.405 -26.458 1.00 55.67 H new ATOM 72 N PRO A 6 -10.384 -16.218 -21.200 1.00 53.78 N ATOM 73 CA PRO A 6 -9.282 -16.813 -20.440 1.00 53.04 C ATOM 74 C PRO A 6 -7.892 -16.345 -20.898 1.00 52.18 C ATOM 75 O PRO A 6 -7.515 -16.495 -22.061 1.00 52.59 O ATOM 76 CB PRO A 6 -9.446 -18.326 -20.613 1.00 54.13 C ATOM 77 CG PRO A 6 -10.116 -18.451 -21.980 1.00 55.41 C ATOM 78 CD PRO A 6 -11.045 -17.243 -21.996 1.00 55.20 C ATOM 0 HA PRO A 6 -9.333 -16.502 -19.397 1.00 53.04 H new ATOM 0 HB2 PRO A 6 -8.485 -18.841 -20.587 1.00 54.13 H new ATOM 0 HB3 PRO A 6 -10.060 -18.757 -19.823 1.00 54.13 H new ATOM 0 HG2 PRO A 6 -9.391 -18.418 -22.793 1.00 55.41 H new ATOM 0 HG3 PRO A 6 -10.664 -19.388 -22.080 1.00 55.41 H new ATOM 0 HD2 PRO A 6 -11.216 -16.896 -23.015 1.00 55.20 H new ATOM 0 HD3 PRO A 6 -12.019 -17.494 -21.577 1.00 55.20 H new ATOM 86 N GLY A 7 -7.074 -15.860 -19.960 1.00 51.07 N ATOM 87 CA GLY A 7 -5.621 -15.750 -20.144 1.00 50.32 C ATOM 88 C GLY A 7 -5.097 -14.655 -21.084 1.00 49.95 C ATOM 89 O GLY A 7 -3.892 -14.616 -21.340 1.00 49.45 O ATOM 0 H GLY A 7 -7.399 -15.532 -19.050 1.00 51.07 H new ATOM 0 HA2 GLY A 7 -5.171 -15.593 -19.164 1.00 50.32 H new ATOM 0 HA3 GLY A 7 -5.257 -16.709 -20.512 1.00 50.32 H new ATOM 93 N LEU A 8 -5.940 -13.750 -21.588 1.00 50.24 N ATOM 94 CA LEU A 8 -5.551 -12.646 -22.489 1.00 50.06 C ATOM 95 C LEU A 8 -4.823 -11.460 -21.823 1.00 48.97 C ATOM 96 O LEU A 8 -4.678 -10.398 -22.435 1.00 49.08 O ATOM 97 CB LEU A 8 -6.730 -12.214 -23.378 1.00 51.04 C ATOM 98 CG LEU A 8 -7.776 -11.321 -22.687 1.00 50.92 C ATOM 99 CD1 LEU A 8 -8.796 -10.842 -23.711 1.00 51.64 C ATOM 100 CD2 LEU A 8 -8.512 -12.058 -21.576 1.00 50.89 C ATOM 0 H LEU A 8 -6.938 -13.759 -21.380 1.00 50.24 H new ATOM 0 HA LEU A 8 -4.777 -13.065 -23.132 1.00 50.06 H new ATOM 0 HB2 LEU A 8 -6.336 -11.682 -24.244 1.00 51.04 H new ATOM 0 HB3 LEU A 8 -7.229 -13.108 -23.753 1.00 51.04 H new ATOM 0 HG LEU A 8 -7.243 -10.478 -22.246 1.00 50.92 H new ATOM 0 HD11 LEU A 8 -9.536 -10.210 -23.220 1.00 51.64 H new ATOM 0 HD12 LEU A 8 -8.290 -10.271 -24.489 1.00 51.64 H new ATOM 0 HD13 LEU A 8 -9.294 -11.702 -24.159 1.00 51.64 H new ATOM 0 HD21 LEU A 8 -9.240 -11.390 -21.116 1.00 50.89 H new ATOM 0 HD22 LEU A 8 -9.027 -12.924 -21.993 1.00 50.89 H new ATOM 0 HD23 LEU A 8 -7.797 -12.389 -20.823 1.00 50.89 H new ATOM 112 N VAL A 9 -4.323 -11.654 -20.601 1.00 47.99 N ATOM 113 CA VAL A 9 -3.323 -10.820 -19.929 1.00 46.93 C ATOM 114 C VAL A 9 -2.050 -10.813 -20.760 1.00 46.60 C ATOM 115 O VAL A 9 -1.219 -11.721 -20.685 1.00 46.62 O ATOM 116 CB VAL A 9 -2.998 -11.288 -18.486 1.00 46.46 C ATOM 117 CG1 VAL A 9 -3.788 -10.462 -17.476 1.00 46.48 C ATOM 118 CG2 VAL A 9 -3.221 -12.784 -18.219 1.00 46.96 C ATOM 0 H VAL A 9 -4.621 -12.439 -20.022 1.00 47.99 H new ATOM 0 HA VAL A 9 -3.744 -9.818 -19.842 1.00 46.93 H new ATOM 0 HB VAL A 9 -1.926 -11.127 -18.370 1.00 46.46 H new ATOM 0 HG11 VAL A 9 -3.552 -10.799 -16.467 1.00 46.48 H new ATOM 0 HG12 VAL A 9 -3.522 -9.410 -17.579 1.00 46.48 H new ATOM 0 HG13 VAL A 9 -4.855 -10.586 -17.660 1.00 46.48 H new ATOM 0 HG21 VAL A 9 -2.966 -13.011 -17.184 1.00 46.96 H new ATOM 0 HG22 VAL A 9 -4.267 -13.034 -18.398 1.00 46.96 H new ATOM 0 HG23 VAL A 9 -2.589 -13.371 -18.885 1.00 46.96 H new ATOM 128 N ASP A 10 -1.922 -9.762 -21.557 1.00 46.38 N ATOM 129 CA ASP A 10 -0.732 -9.465 -22.348 1.00 46.09 C ATOM 130 C ASP A 10 0.489 -9.317 -21.430 1.00 45.10 C ATOM 131 O ASP A 10 0.606 -8.349 -20.668 1.00 44.48 O ATOM 132 CB ASP A 10 -0.975 -8.211 -23.197 1.00 46.25 C ATOM 133 CG ASP A 10 0.266 -7.824 -24.003 1.00 46.51 C ATOM 134 OD1 ASP A 10 0.699 -8.609 -24.880 1.00 47.23 O ATOM 135 OD2 ASP A 10 0.798 -6.709 -23.787 1.00 46.11 O ATOM 0 H ASP A 10 -2.663 -9.071 -21.676 1.00 46.38 H new ATOM 0 HA ASP A 10 -0.525 -10.290 -23.029 1.00 46.09 H new ATOM 0 HB2 ASP A 10 -1.809 -8.387 -23.876 1.00 46.25 H new ATOM 0 HB3 ASP A 10 -1.261 -7.383 -22.549 1.00 46.25 H new ATOM 140 N SER A 11 1.383 -10.303 -21.495 1.00 45.05 N ATOM 141 CA SER A 11 2.622 -10.336 -20.715 1.00 44.30 C ATOM 142 C SER A 11 3.565 -9.200 -21.113 1.00 43.56 C ATOM 143 O SER A 11 3.628 -8.789 -22.280 1.00 44.08 O ATOM 144 CB SER A 11 3.322 -11.687 -20.884 1.00 44.89 C ATOM 145 OG SER A 11 2.533 -12.711 -20.307 1.00 45.28 O ATOM 0 H SER A 11 1.266 -11.115 -22.101 1.00 45.05 H new ATOM 0 HA SER A 11 2.357 -10.200 -19.666 1.00 44.30 H new ATOM 0 HB2 SER A 11 3.485 -11.893 -21.942 1.00 44.89 H new ATOM 0 HB3 SER A 11 4.303 -11.660 -20.410 1.00 44.89 H new ATOM 0 HG SER A 11 2.984 -13.574 -20.419 1.00 45.28 H new ATOM 151 N ASN A 12 4.336 -8.713 -20.140 1.00 42.42 N ATOM 152 CA ASN A 12 5.400 -7.744 -20.387 1.00 41.75 C ATOM 153 C ASN A 12 6.486 -8.348 -21.309 1.00 41.73 C ATOM 154 O ASN A 12 6.631 -9.581 -21.372 1.00 41.96 O ATOM 155 CB ASN A 12 6.034 -7.321 -19.052 1.00 40.90 C ATOM 156 CG ASN A 12 5.097 -6.650 -18.065 1.00 40.54 C ATOM 157 OD1 ASN A 12 4.271 -5.809 -18.398 1.00 40.77 O ATOM 158 ND2 ASN A 12 5.202 -7.009 -16.810 1.00 40.12 N ATOM 0 H ASN A 12 4.239 -8.980 -19.160 1.00 42.42 H new ATOM 0 HA ASN A 12 4.969 -6.873 -20.881 1.00 41.75 H new ATOM 0 HB2 ASN A 12 6.461 -8.204 -18.577 1.00 40.90 H new ATOM 0 HB3 ASN A 12 6.860 -6.641 -19.262 1.00 40.90 H new ATOM 0 HD21 ASN A 12 4.595 -6.588 -16.107 1.00 40.12 H new ATOM 0 HD22 ASN A 12 5.891 -7.710 -16.536 1.00 40.12 H new ATOM 165 N PRO A 13 7.309 -7.507 -21.962 1.00 41.54 N ATOM 166 CA PRO A 13 8.524 -7.957 -22.631 1.00 41.45 C ATOM 167 C PRO A 13 9.478 -8.736 -21.709 1.00 40.42 C ATOM 168 O PRO A 13 9.322 -8.748 -20.482 1.00 39.58 O ATOM 169 CB PRO A 13 9.191 -6.689 -23.168 1.00 41.40 C ATOM 170 CG PRO A 13 8.046 -5.687 -23.293 1.00 41.77 C ATOM 171 CD PRO A 13 7.147 -6.068 -22.120 1.00 41.57 C ATOM 0 HA PRO A 13 8.275 -8.663 -23.423 1.00 41.45 H new ATOM 0 HB2 PRO A 13 9.964 -6.328 -22.490 1.00 41.40 H new ATOM 0 HB3 PRO A 13 9.670 -6.868 -24.131 1.00 41.40 H new ATOM 0 HG2 PRO A 13 8.397 -4.658 -23.218 1.00 41.77 H new ATOM 0 HG3 PRO A 13 7.528 -5.779 -24.248 1.00 41.77 H new ATOM 0 HD2 PRO A 13 7.438 -5.538 -21.213 1.00 41.57 H new ATOM 0 HD3 PRO A 13 6.107 -5.809 -22.321 1.00 41.57 H new ATOM 179 N ALA A 14 10.476 -9.380 -22.316 1.00 40.58 N ATOM 180 CA ALA A 14 11.448 -10.246 -21.648 1.00 39.84 C ATOM 181 C ALA A 14 12.049 -9.592 -20.373 1.00 38.32 C ATOM 182 O ALA A 14 12.602 -8.487 -20.456 1.00 37.99 O ATOM 183 CB ALA A 14 12.526 -10.594 -22.678 1.00 40.82 C ATOM 0 H ALA A 14 10.635 -9.310 -23.321 1.00 40.58 H new ATOM 0 HA ALA A 14 10.956 -11.151 -21.292 1.00 39.84 H new ATOM 0 HB1 ALA A 14 13.273 -11.241 -22.218 1.00 40.82 H new ATOM 0 HB2 ALA A 14 12.069 -11.110 -23.522 1.00 40.82 H new ATOM 0 HB3 ALA A 14 13.004 -9.679 -23.028 1.00 40.82 H new ATOM 189 N PRO A 15 11.919 -10.222 -19.187 1.00 37.48 N ATOM 190 CA PRO A 15 12.138 -9.561 -17.901 1.00 36.08 C ATOM 191 C PRO A 15 13.624 -9.310 -17.593 1.00 35.39 C ATOM 192 O PRO A 15 14.490 -10.062 -18.059 1.00 35.89 O ATOM 193 CB PRO A 15 11.488 -10.472 -16.854 1.00 35.72 C ATOM 194 CG PRO A 15 11.607 -11.859 -17.481 1.00 36.65 C ATOM 195 CD PRO A 15 11.406 -11.565 -18.965 1.00 37.90 C ATOM 0 HA PRO A 15 11.696 -8.565 -17.906 1.00 36.08 H new ATOM 0 HB2 PRO A 15 12.004 -10.417 -15.896 1.00 35.72 H new ATOM 0 HB3 PRO A 15 10.448 -10.200 -16.672 1.00 35.72 H new ATOM 0 HG2 PRO A 15 12.579 -12.312 -17.284 1.00 36.65 H new ATOM 0 HG3 PRO A 15 10.852 -12.545 -17.097 1.00 36.65 H new ATOM 0 HD2 PRO A 15 11.937 -12.291 -19.581 1.00 37.90 H new ATOM 0 HD3 PRO A 15 10.352 -11.628 -19.235 1.00 37.90 H new ATOM 203 N PRO A 16 13.937 -8.291 -16.772 1.00 34.34 N ATOM 204 CA PRO A 16 15.305 -7.972 -16.375 1.00 33.72 C ATOM 205 C PRO A 16 15.915 -9.037 -15.448 1.00 33.21 C ATOM 206 O PRO A 16 15.257 -9.969 -14.972 1.00 33.12 O ATOM 207 CB PRO A 16 15.213 -6.596 -15.709 1.00 32.91 C ATOM 208 CG PRO A 16 13.816 -6.603 -15.094 1.00 32.73 C ATOM 209 CD PRO A 16 13.003 -7.373 -16.132 1.00 33.82 C ATOM 0 HA PRO A 16 15.978 -7.958 -17.233 1.00 33.72 H new ATOM 0 HB2 PRO A 16 15.986 -6.462 -14.952 1.00 32.91 H new ATOM 0 HB3 PRO A 16 15.331 -5.789 -16.432 1.00 32.91 H new ATOM 0 HG2 PRO A 16 13.803 -7.095 -14.122 1.00 32.73 H new ATOM 0 HG3 PRO A 16 13.433 -5.593 -14.945 1.00 32.73 H new ATOM 0 HD2 PRO A 16 12.183 -7.916 -15.661 1.00 33.82 H new ATOM 0 HD3 PRO A 16 12.560 -6.695 -16.862 1.00 33.82 H new ATOM 217 N GLU A 17 17.214 -8.915 -15.204 1.00 33.05 N ATOM 218 CA GLU A 17 17.995 -9.831 -14.372 1.00 32.78 C ATOM 219 C GLU A 17 17.660 -9.734 -12.874 1.00 31.99 C ATOM 220 O GLU A 17 17.004 -8.798 -12.403 1.00 31.56 O ATOM 221 CB GLU A 17 19.493 -9.585 -14.615 1.00 33.07 C ATOM 222 CG GLU A 17 19.982 -8.293 -13.945 1.00 32.54 C ATOM 223 CD GLU A 17 21.270 -7.754 -14.573 1.00 33.08 C ATOM 224 OE1 GLU A 17 21.287 -7.478 -15.800 1.00 33.86 O ATOM 225 OE2 GLU A 17 22.264 -7.583 -13.821 1.00 32.86 O ATOM 0 H GLU A 17 17.773 -8.154 -15.590 1.00 33.05 H new ATOM 0 HA GLU A 17 17.729 -10.846 -14.668 1.00 32.78 H new ATOM 0 HB2 GLU A 17 20.065 -10.430 -14.233 1.00 33.07 H new ATOM 0 HB3 GLU A 17 19.682 -9.531 -15.687 1.00 33.07 H new ATOM 0 HG2 GLU A 17 19.203 -7.534 -14.016 1.00 32.54 H new ATOM 0 HG3 GLU A 17 20.150 -8.479 -12.884 1.00 32.54 H new ATOM 232 N SER A 18 18.166 -10.715 -12.132 1.00 31.92 N ATOM 233 CA SER A 18 18.135 -10.831 -10.672 1.00 31.39 C ATOM 234 C SER A 18 18.602 -9.579 -9.905 1.00 30.27 C ATOM 235 O SER A 18 19.396 -8.778 -10.395 1.00 30.14 O ATOM 236 CB SER A 18 19.017 -12.018 -10.296 1.00 32.00 C ATOM 237 OG SER A 18 18.331 -13.234 -10.558 1.00 32.76 O ATOM 0 H SER A 18 18.643 -11.507 -12.563 1.00 31.92 H new ATOM 0 HA SER A 18 17.093 -10.962 -10.381 1.00 31.39 H new ATOM 0 HB2 SER A 18 19.947 -11.985 -10.864 1.00 32.00 H new ATOM 0 HB3 SER A 18 19.286 -11.962 -9.241 1.00 32.00 H new ATOM 0 HG SER A 18 18.904 -13.991 -10.316 1.00 32.76 H new ATOM 243 N GLN A 19 18.098 -9.415 -8.679 1.00 29.59 N ATOM 244 CA GLN A 19 18.263 -8.230 -7.817 1.00 28.56 C ATOM 245 C GLN A 19 18.645 -8.614 -6.375 1.00 27.64 C ATOM 246 O GLN A 19 18.515 -9.781 -5.992 1.00 27.99 O ATOM 247 CB GLN A 19 16.936 -7.450 -7.807 1.00 28.56 C ATOM 248 CG GLN A 19 16.664 -6.725 -9.133 1.00 29.24 C ATOM 249 CD GLN A 19 15.281 -6.084 -9.211 1.00 29.33 C ATOM 250 OE1 GLN A 19 14.440 -6.192 -8.325 1.00 28.95 O ATOM 251 NE2 GLN A 19 14.983 -5.427 -10.304 1.00 29.99 N ATOM 0 H GLN A 19 17.534 -10.139 -8.233 1.00 29.59 H new ATOM 0 HA GLN A 19 19.073 -7.620 -8.217 1.00 28.56 H new ATOM 0 HB2 GLN A 19 16.117 -8.138 -7.599 1.00 28.56 H new ATOM 0 HB3 GLN A 19 16.954 -6.721 -6.996 1.00 28.56 H new ATOM 0 HG2 GLN A 19 17.421 -5.954 -9.277 1.00 29.24 H new ATOM 0 HG3 GLN A 19 16.772 -7.434 -9.953 1.00 29.24 H new ATOM 0 HE21 GLN A 19 15.676 -5.332 -11.047 1.00 29.99 H new ATOM 0 HE22 GLN A 19 14.058 -5.011 -10.413 1.00 29.99 H new ATOM 260 N GLU A 20 19.052 -7.642 -5.550 1.00 26.56 N ATOM 261 CA GLU A 20 19.302 -7.839 -4.113 1.00 25.65 C ATOM 262 C GLU A 20 18.761 -6.684 -3.252 1.00 23.88 C ATOM 263 O GLU A 20 19.182 -5.534 -3.412 1.00 23.45 O ATOM 264 CB GLU A 20 20.803 -7.989 -3.830 1.00 26.30 C ATOM 265 CG GLU A 20 21.401 -9.306 -4.328 1.00 27.19 C ATOM 266 CD GLU A 20 22.848 -9.452 -3.851 1.00 27.81 C ATOM 267 OE1 GLU A 20 23.075 -9.748 -2.652 1.00 27.74 O ATOM 268 OE2 GLU A 20 23.779 -9.297 -4.677 1.00 28.57 O ATOM 0 H GLU A 20 19.219 -6.686 -5.862 1.00 26.56 H new ATOM 0 HA GLU A 20 18.772 -8.752 -3.843 1.00 25.65 H new ATOM 0 HB2 GLU A 20 21.335 -7.160 -4.297 1.00 26.30 H new ATOM 0 HB3 GLU A 20 20.970 -7.909 -2.756 1.00 26.30 H new ATOM 0 HG2 GLU A 20 20.806 -10.143 -3.964 1.00 27.19 H new ATOM 0 HG3 GLU A 20 21.366 -9.340 -5.417 1.00 27.19 H new ATOM 275 N LYS A 21 17.911 -6.992 -2.267 1.00 22.99 N ATOM 276 CA LYS A 21 17.438 -6.032 -1.252 1.00 21.32 C ATOM 277 C LYS A 21 18.561 -5.641 -0.289 1.00 20.50 C ATOM 278 O LYS A 21 19.527 -6.386 -0.125 1.00 21.18 O ATOM 279 CB LYS A 21 16.262 -6.618 -0.446 1.00 21.06 C ATOM 280 CG LYS A 21 14.915 -6.595 -1.172 1.00 20.65 C ATOM 281 CD LYS A 21 14.773 -7.683 -2.243 1.00 21.68 C ATOM 282 CE LYS A 21 13.309 -7.811 -2.663 1.00 21.58 C ATOM 283 NZ LYS A 21 12.848 -6.639 -3.437 1.00 21.57 N ATOM 0 H LYS A 21 17.524 -7.928 -2.147 1.00 22.99 H new ATOM 0 HA LYS A 21 17.103 -5.142 -1.785 1.00 21.32 H new ATOM 0 HB2 LYS A 21 16.499 -7.648 -0.181 1.00 21.06 H new ATOM 0 HB3 LYS A 21 16.166 -6.063 0.487 1.00 21.06 H new ATOM 0 HG2 LYS A 21 14.116 -6.712 -0.440 1.00 20.65 H new ATOM 0 HG3 LYS A 21 14.780 -5.619 -1.638 1.00 20.65 H new ATOM 0 HD2 LYS A 21 15.388 -7.436 -3.108 1.00 21.68 H new ATOM 0 HD3 LYS A 21 15.134 -8.636 -1.856 1.00 21.68 H new ATOM 0 HE2 LYS A 21 13.182 -8.713 -3.261 1.00 21.58 H new ATOM 0 HE3 LYS A 21 12.687 -7.927 -1.776 1.00 21.58 H new ATOM 0 HZ1 LYS A 21 11.850 -6.768 -3.701 1.00 21.57 H new ATOM 0 HZ2 LYS A 21 12.945 -5.781 -2.858 1.00 21.57 H new ATOM 0 HZ3 LYS A 21 13.424 -6.543 -4.297 1.00 21.57 H new ATOM 297 N LYS A 22 18.415 -4.485 0.362 1.00 19.17 N ATOM 298 CA LYS A 22 19.163 -4.057 1.559 1.00 18.26 C ATOM 299 C LYS A 22 18.252 -4.188 2.795 1.00 16.92 C ATOM 300 O LYS A 22 17.029 -4.051 2.650 1.00 16.38 O ATOM 301 CB LYS A 22 19.660 -2.600 1.397 1.00 17.81 C ATOM 302 CG LYS A 22 21.034 -2.406 0.730 1.00 19.08 C ATOM 303 CD LYS A 22 21.158 -2.987 -0.687 1.00 20.47 C ATOM 304 CE LYS A 22 21.785 -4.383 -0.646 1.00 21.80 C ATOM 305 NZ LYS A 22 21.666 -5.092 -1.937 1.00 23.15 N ATOM 0 H LYS A 22 17.740 -3.783 0.058 1.00 19.17 H new ATOM 0 HA LYS A 22 20.038 -4.694 1.687 1.00 18.26 H new ATOM 0 HB2 LYS A 22 18.919 -2.051 0.815 1.00 17.81 H new ATOM 0 HB3 LYS A 22 19.694 -2.141 2.385 1.00 17.81 H new ATOM 0 HG2 LYS A 22 21.253 -1.339 0.689 1.00 19.08 H new ATOM 0 HG3 LYS A 22 21.795 -2.864 1.362 1.00 19.08 H new ATOM 0 HD2 LYS A 22 20.173 -3.039 -1.152 1.00 20.47 H new ATOM 0 HD3 LYS A 22 21.768 -2.327 -1.304 1.00 20.47 H new ATOM 0 HE2 LYS A 22 22.838 -4.298 -0.377 1.00 21.80 H new ATOM 0 HE3 LYS A 22 21.303 -4.972 0.135 1.00 21.80 H new ATOM 0 HZ1 LYS A 22 21.997 -6.072 -1.827 1.00 23.15 H new ATOM 0 HZ2 LYS A 22 20.672 -5.094 -2.241 1.00 23.15 H new ATOM 0 HZ3 LYS A 22 22.246 -4.609 -2.653 1.00 23.15 H new ATOM 319 N PRO A 23 18.812 -4.376 4.003 1.00 16.54 N ATOM 320 CA PRO A 23 18.029 -4.445 5.236 1.00 15.44 C ATOM 321 C PRO A 23 17.213 -3.167 5.458 1.00 13.83 C ATOM 322 O PRO A 23 17.650 -2.069 5.103 1.00 13.49 O ATOM 323 CB PRO A 23 19.049 -4.677 6.354 1.00 15.71 C ATOM 324 CG PRO A 23 20.336 -4.069 5.796 1.00 16.42 C ATOM 325 CD PRO A 23 20.236 -4.414 4.312 1.00 17.30 C ATOM 0 HA PRO A 23 17.293 -5.248 5.201 1.00 15.44 H new ATOM 0 HB2 PRO A 23 18.745 -4.192 7.281 1.00 15.71 H new ATOM 0 HB3 PRO A 23 19.169 -5.738 6.574 1.00 15.71 H new ATOM 0 HG2 PRO A 23 20.384 -2.993 5.962 1.00 16.42 H new ATOM 0 HG3 PRO A 23 21.224 -4.502 6.256 1.00 16.42 H new ATOM 0 HD2 PRO A 23 20.790 -3.699 3.704 1.00 17.30 H new ATOM 0 HD3 PRO A 23 20.657 -5.399 4.108 1.00 17.30 H new ATOM 333 N LEU A 24 16.019 -3.294 6.036 1.00 13.09 N ATOM 334 CA LEU A 24 15.110 -2.171 6.265 1.00 11.69 C ATOM 335 C LEU A 24 15.565 -1.344 7.478 1.00 10.63 C ATOM 336 O LEU A 24 15.736 -1.895 8.572 1.00 10.80 O ATOM 337 CB LEU A 24 13.687 -2.731 6.430 1.00 11.86 C ATOM 338 CG LEU A 24 12.594 -1.664 6.601 1.00 11.54 C ATOM 339 CD1 LEU A 24 12.428 -0.786 5.361 1.00 11.98 C ATOM 340 CD2 LEU A 24 11.267 -2.361 6.874 1.00 12.20 C ATOM 0 H LEU A 24 15.652 -4.188 6.362 1.00 13.09 H new ATOM 0 HA LEU A 24 15.119 -1.489 5.415 1.00 11.69 H new ATOM 0 HB2 LEU A 24 13.448 -3.341 5.559 1.00 11.86 H new ATOM 0 HB3 LEU A 24 13.669 -3.392 7.296 1.00 11.86 H new ATOM 0 HG LEU A 24 12.893 -1.021 7.429 1.00 11.54 H new ATOM 0 HD11 LEU A 24 11.643 -0.051 5.538 1.00 11.98 H new ATOM 0 HD12 LEU A 24 13.366 -0.272 5.151 1.00 11.98 H new ATOM 0 HD13 LEU A 24 12.156 -1.408 4.508 1.00 11.98 H new ATOM 0 HD21 LEU A 24 10.482 -1.614 6.997 1.00 12.20 H new ATOM 0 HD22 LEU A 24 11.019 -3.013 6.036 1.00 12.20 H new ATOM 0 HD23 LEU A 24 11.349 -2.955 7.784 1.00 12.20 H new ATOM 352 N LYS A 25 15.737 -0.025 7.308 1.00 9.93 N ATOM 353 CA LYS A 25 16.128 0.874 8.410 1.00 9.24 C ATOM 354 C LYS A 25 15.008 1.000 9.463 1.00 8.10 C ATOM 355 O LYS A 25 13.831 1.043 9.081 1.00 7.73 O ATOM 356 CB LYS A 25 16.658 2.222 7.882 1.00 9.70 C ATOM 357 CG LYS A 25 15.647 3.123 7.149 1.00 10.13 C ATOM 358 CD LYS A 25 16.362 4.381 6.625 1.00 11.19 C ATOM 359 CE LYS A 25 15.398 5.345 5.923 1.00 11.66 C ATOM 360 NZ LYS A 25 16.113 6.520 5.364 1.00 12.89 N ATOM 0 H LYS A 25 15.611 0.448 6.413 1.00 9.93 H new ATOM 0 HA LYS A 25 16.969 0.424 8.938 1.00 9.24 H new ATOM 0 HB2 LYS A 25 17.064 2.782 8.725 1.00 9.70 H new ATOM 0 HB3 LYS A 25 17.487 2.020 7.204 1.00 9.70 H new ATOM 0 HG2 LYS A 25 15.193 2.579 6.321 1.00 10.13 H new ATOM 0 HG3 LYS A 25 14.840 3.406 7.825 1.00 10.13 H new ATOM 0 HD2 LYS A 25 16.846 4.895 7.456 1.00 11.19 H new ATOM 0 HD3 LYS A 25 17.149 4.087 5.930 1.00 11.19 H new ATOM 0 HE2 LYS A 25 14.877 4.821 5.122 1.00 11.66 H new ATOM 0 HE3 LYS A 25 14.640 5.682 6.630 1.00 11.66 H new ATOM 0 HZ1 LYS A 25 15.431 7.151 4.896 1.00 12.89 H new ATOM 0 HZ2 LYS A 25 16.590 7.034 6.132 1.00 12.89 H new ATOM 0 HZ3 LYS A 25 16.819 6.199 4.671 1.00 12.89 H new ATOM 374 N PRO A 26 15.323 1.039 10.771 1.00 7.94 N ATOM 375 CA PRO A 26 14.325 0.947 11.837 1.00 7.12 C ATOM 376 C PRO A 26 13.347 2.126 11.828 1.00 5.95 C ATOM 377 O PRO A 26 13.728 3.293 11.669 1.00 6.19 O ATOM 378 CB PRO A 26 15.104 0.845 13.151 1.00 7.95 C ATOM 379 CG PRO A 26 16.442 1.494 12.813 1.00 8.88 C ATOM 380 CD PRO A 26 16.653 1.112 11.351 1.00 8.99 C ATOM 0 HA PRO A 26 13.693 0.070 11.695 1.00 7.12 H new ATOM 0 HB2 PRO A 26 14.596 1.367 13.962 1.00 7.95 H new ATOM 0 HB3 PRO A 26 15.227 -0.191 13.467 1.00 7.95 H new ATOM 0 HG2 PRO A 26 16.411 2.575 12.946 1.00 8.88 H new ATOM 0 HG3 PRO A 26 17.244 1.118 13.448 1.00 8.88 H new ATOM 0 HD2 PRO A 26 17.265 1.853 10.837 1.00 8.99 H new ATOM 0 HD3 PRO A 26 17.171 0.157 11.266 1.00 8.99 H new ATOM 388 N CYS A 27 12.072 1.797 12.006 1.00 5.34 N ATOM 389 CA CYS A 27 10.929 2.700 11.952 1.00 4.72 C ATOM 390 C CYS A 27 9.889 2.251 12.988 1.00 3.75 C ATOM 391 O CYS A 27 9.666 1.052 13.168 1.00 4.64 O ATOM 392 CB CYS A 27 10.371 2.644 10.521 1.00 5.96 C ATOM 393 SG CYS A 27 8.945 3.743 10.306 1.00 7.06 S ATOM 0 H CYS A 27 11.793 0.836 12.203 1.00 5.34 H new ATOM 0 HA CYS A 27 11.207 3.727 12.189 1.00 4.72 H new ATOM 0 HB2 CYS A 27 11.154 2.923 9.815 1.00 5.96 H new ATOM 0 HB3 CYS A 27 10.079 1.621 10.285 1.00 5.96 H new ATOM 0 HG CYS A 27 8.514 3.660 9.082 1.00 7.06 H new ATOM 399 N CYS A 28 9.209 3.196 13.633 1.00 2.64 N ATOM 400 CA CYS A 28 8.141 2.944 14.605 1.00 2.28 C ATOM 401 C CYS A 28 6.795 2.594 13.924 1.00 2.44 C ATOM 402 O CYS A 28 5.730 2.980 14.412 1.00 3.01 O ATOM 403 CB CYS A 28 8.051 4.150 15.551 1.00 2.57 C ATOM 404 SG CYS A 28 9.617 4.404 16.442 1.00 3.50 S ATOM 0 H CYS A 28 9.390 4.190 13.491 1.00 2.64 H new ATOM 0 HA CYS A 28 8.382 2.059 15.194 1.00 2.28 H new ATOM 0 HB2 CYS A 28 7.804 5.046 14.981 1.00 2.57 H new ATOM 0 HB3 CYS A 28 7.243 3.995 16.266 1.00 2.57 H new ATOM 0 HG CYS A 28 9.506 5.432 17.230 1.00 3.50 H new ATOM 410 N ALA A 29 6.851 1.932 12.767 1.00 2.17 N ATOM 411 CA ALA A 29 5.734 1.527 11.914 1.00 2.43 C ATOM 412 C ALA A 29 6.137 0.296 11.066 1.00 2.00 C ATOM 413 O ALA A 29 7.236 -0.255 11.225 1.00 1.74 O ATOM 414 CB ALA A 29 5.342 2.726 11.033 1.00 2.74 C ATOM 0 H ALA A 29 7.746 1.644 12.373 1.00 2.17 H new ATOM 0 HA ALA A 29 4.873 1.235 12.515 1.00 2.43 H new ATOM 0 HB1 ALA A 29 4.509 2.446 10.387 1.00 2.74 H new ATOM 0 HB2 ALA A 29 5.045 3.562 11.667 1.00 2.74 H new ATOM 0 HB3 ALA A 29 6.194 3.021 10.420 1.00 2.74 H new ATOM 420 N SER A 30 5.277 -0.110 10.126 1.00 2.14 N ATOM 421 CA SER A 30 5.539 -1.167 9.133 1.00 1.81 C ATOM 422 C SER A 30 5.598 -0.607 7.688 1.00 1.51 C ATOM 423 O SER A 30 4.723 -0.914 6.866 1.00 1.84 O ATOM 424 CB SER A 30 4.530 -2.319 9.288 1.00 2.43 C ATOM 425 OG SER A 30 4.474 -2.790 10.628 1.00 3.20 O ATOM 0 H SER A 30 4.348 0.299 10.029 1.00 2.14 H new ATOM 0 HA SER A 30 6.529 -1.578 9.329 1.00 1.81 H new ATOM 0 HB2 SER A 30 3.541 -1.981 8.979 1.00 2.43 H new ATOM 0 HB3 SER A 30 4.808 -3.138 8.625 1.00 2.43 H new ATOM 0 HG SER A 30 3.823 -3.520 10.691 1.00 3.20 H new ATOM 431 N PRO A 31 6.601 0.242 7.350 1.00 1.20 N ATOM 432 CA PRO A 31 6.783 0.861 6.028 1.00 1.45 C ATOM 433 C PRO A 31 6.978 -0.138 4.884 1.00 1.05 C ATOM 434 O PRO A 31 6.815 0.254 3.730 1.00 1.20 O ATOM 435 CB PRO A 31 7.984 1.804 6.159 1.00 1.84 C ATOM 436 CG PRO A 31 8.797 1.175 7.282 1.00 1.41 C ATOM 437 CD PRO A 31 7.710 0.640 8.205 1.00 1.05 C ATOM 0 HA PRO A 31 5.871 1.391 5.753 1.00 1.45 H new ATOM 0 HB2 PRO A 31 8.554 1.861 5.232 1.00 1.84 H new ATOM 0 HB3 PRO A 31 7.674 2.819 6.406 1.00 1.84 H new ATOM 0 HG2 PRO A 31 9.449 0.381 6.917 1.00 1.41 H new ATOM 0 HG3 PRO A 31 9.433 1.905 7.782 1.00 1.41 H new ATOM 0 HD2 PRO A 31 8.076 -0.207 8.785 1.00 1.05 H new ATOM 0 HD3 PRO A 31 7.396 1.403 8.918 1.00 1.05 H new ATOM 445 N GLU A 32 7.230 -1.428 5.143 1.00 0.64 N ATOM 446 CA GLU A 32 7.194 -2.438 4.077 1.00 0.53 C ATOM 447 C GLU A 32 5.861 -2.439 3.302 1.00 0.46 C ATOM 448 O GLU A 32 5.856 -2.722 2.104 1.00 0.44 O ATOM 449 CB GLU A 32 7.524 -3.836 4.622 1.00 0.66 C ATOM 450 CG GLU A 32 6.402 -4.524 5.420 1.00 1.98 C ATOM 451 CD GLU A 32 6.766 -5.985 5.700 1.00 2.58 C ATOM 452 OE1 GLU A 32 6.637 -6.838 4.781 1.00 3.75 O ATOM 453 OE2 GLU A 32 7.232 -6.295 6.824 1.00 2.90 O ATOM 0 H GLU A 32 7.458 -1.793 6.068 1.00 0.64 H new ATOM 0 HA GLU A 32 7.968 -2.162 3.361 1.00 0.53 H new ATOM 0 HB2 GLU A 32 7.794 -4.478 3.784 1.00 0.66 H new ATOM 0 HB3 GLU A 32 8.404 -3.758 5.261 1.00 0.66 H new ATOM 0 HG2 GLU A 32 6.239 -3.996 6.360 1.00 1.98 H new ATOM 0 HG3 GLU A 32 5.467 -4.476 4.861 1.00 1.98 H new ATOM 460 N THR A 33 4.752 -2.060 3.953 1.00 0.55 N ATOM 461 CA THR A 33 3.429 -1.916 3.319 1.00 0.62 C ATOM 462 C THR A 33 3.389 -0.721 2.362 1.00 0.68 C ATOM 463 O THR A 33 2.960 -0.857 1.220 1.00 0.62 O ATOM 464 CB THR A 33 2.309 -1.777 4.365 1.00 0.78 C ATOM 465 OG1 THR A 33 2.509 -0.645 5.185 1.00 0.86 O ATOM 466 CG2 THR A 33 2.193 -2.996 5.278 1.00 0.81 C ATOM 0 H THR A 33 4.746 -1.841 4.949 1.00 0.55 H new ATOM 0 HA THR A 33 3.260 -2.828 2.747 1.00 0.62 H new ATOM 0 HB THR A 33 1.390 -1.677 3.787 1.00 0.78 H new ATOM 0 HG1 THR A 33 3.284 -0.795 5.766 1.00 0.86 H new ATOM 0 HG21 THR A 33 1.386 -2.839 5.994 1.00 0.81 H new ATOM 0 HG22 THR A 33 1.979 -3.881 4.678 1.00 0.81 H new ATOM 0 HG23 THR A 33 3.131 -3.140 5.814 1.00 0.81 H new ATOM 474 N LYS A 34 3.924 0.435 2.779 1.00 0.87 N ATOM 475 CA LYS A 34 4.132 1.634 1.948 1.00 1.02 C ATOM 476 C LYS A 34 5.014 1.319 0.734 1.00 0.93 C ATOM 477 O LYS A 34 4.633 1.615 -0.396 1.00 0.93 O ATOM 478 CB LYS A 34 4.706 2.748 2.854 1.00 1.26 C ATOM 479 CG LYS A 34 5.610 3.790 2.195 1.00 1.45 C ATOM 480 CD LYS A 34 4.897 4.684 1.176 1.00 2.79 C ATOM 481 CE LYS A 34 5.933 5.660 0.612 1.00 3.16 C ATOM 482 NZ LYS A 34 5.439 6.384 -0.580 1.00 4.13 N ATOM 0 H LYS A 34 4.236 0.568 3.741 1.00 0.87 H new ATOM 0 HA LYS A 34 3.189 1.984 1.529 1.00 1.02 H new ATOM 0 HB2 LYS A 34 3.869 3.271 3.317 1.00 1.26 H new ATOM 0 HB3 LYS A 34 5.269 2.273 3.658 1.00 1.26 H new ATOM 0 HG2 LYS A 34 6.047 4.419 2.971 1.00 1.45 H new ATOM 0 HG3 LYS A 34 6.434 3.278 1.699 1.00 1.45 H new ATOM 0 HD2 LYS A 34 4.462 4.083 0.377 1.00 2.79 H new ATOM 0 HD3 LYS A 34 4.078 5.226 1.649 1.00 2.79 H new ATOM 0 HE2 LYS A 34 6.207 6.380 1.383 1.00 3.16 H new ATOM 0 HE3 LYS A 34 6.839 5.113 0.351 1.00 3.16 H new ATOM 0 HZ1 LYS A 34 6.218 6.928 -1.003 1.00 4.13 H new ATOM 0 HZ2 LYS A 34 5.076 5.701 -1.275 1.00 4.13 H new ATOM 0 HZ3 LYS A 34 4.675 7.032 -0.301 1.00 4.13 H new ATOM 496 N LYS A 35 6.147 0.645 0.939 1.00 0.88 N ATOM 497 CA LYS A 35 7.063 0.233 -0.141 1.00 0.88 C ATOM 498 C LYS A 35 6.395 -0.745 -1.116 1.00 0.66 C ATOM 499 O LYS A 35 6.553 -0.608 -2.331 1.00 0.71 O ATOM 500 CB LYS A 35 8.338 -0.354 0.489 1.00 1.03 C ATOM 501 CG LYS A 35 9.444 0.676 0.781 1.00 1.47 C ATOM 502 CD LYS A 35 9.004 1.910 1.589 1.00 1.74 C ATOM 503 CE LYS A 35 10.209 2.718 2.075 1.00 2.30 C ATOM 504 NZ LYS A 35 10.829 3.522 1.002 1.00 2.79 N ATOM 0 H LYS A 35 6.463 0.364 1.867 1.00 0.88 H new ATOM 0 HA LYS A 35 7.332 1.105 -0.738 1.00 0.88 H new ATOM 0 HB2 LYS A 35 8.070 -0.853 1.420 1.00 1.03 H new ATOM 0 HB3 LYS A 35 8.738 -1.117 -0.178 1.00 1.03 H new ATOM 0 HG2 LYS A 35 10.248 0.177 1.322 1.00 1.47 H new ATOM 0 HG3 LYS A 35 9.861 1.014 -0.168 1.00 1.47 H new ATOM 0 HD2 LYS A 35 8.365 2.542 0.972 1.00 1.74 H new ATOM 0 HD3 LYS A 35 8.408 1.593 2.445 1.00 1.74 H new ATOM 0 HE2 LYS A 35 9.896 3.379 2.883 1.00 2.30 H new ATOM 0 HE3 LYS A 35 10.953 2.038 2.490 1.00 2.30 H new ATOM 0 HZ1 LYS A 35 11.639 4.048 1.387 1.00 2.79 H new ATOM 0 HZ2 LYS A 35 11.155 2.893 0.241 1.00 2.79 H new ATOM 0 HZ3 LYS A 35 10.130 4.192 0.622 1.00 2.79 H new ATOM 518 N ALA A 36 5.570 -1.662 -0.607 1.00 0.50 N ATOM 519 CA ALA A 36 4.753 -2.561 -1.427 1.00 0.41 C ATOM 520 C ALA A 36 3.655 -1.816 -2.212 1.00 0.37 C ATOM 521 O ALA A 36 3.318 -2.218 -3.329 1.00 0.34 O ATOM 522 CB ALA A 36 4.164 -3.652 -0.524 1.00 0.40 C ATOM 0 H ALA A 36 5.449 -1.803 0.396 1.00 0.50 H new ATOM 0 HA ALA A 36 5.391 -3.017 -2.184 1.00 0.41 H new ATOM 0 HB1 ALA A 36 3.553 -4.329 -1.122 1.00 0.40 H new ATOM 0 HB2 ALA A 36 4.973 -4.212 -0.055 1.00 0.40 H new ATOM 0 HB3 ALA A 36 3.547 -3.192 0.247 1.00 0.40 H new ATOM 528 N ARG A 37 3.128 -0.714 -1.660 1.00 0.44 N ATOM 529 CA ARG A 37 2.127 0.175 -2.275 1.00 0.53 C ATOM 530 C ARG A 37 2.745 1.009 -3.401 1.00 0.67 C ATOM 531 O ARG A 37 2.149 1.103 -4.472 1.00 0.80 O ATOM 532 CB ARG A 37 1.451 1.027 -1.178 1.00 0.81 C ATOM 533 CG ARG A 37 0.055 1.578 -1.528 1.00 1.14 C ATOM 534 CD ARG A 37 0.035 2.776 -2.485 1.00 1.51 C ATOM 535 NE ARG A 37 0.799 3.915 -1.951 1.00 1.71 N ATOM 536 CZ ARG A 37 1.660 4.688 -2.637 1.00 2.52 C ATOM 537 NH1 ARG A 37 1.918 4.487 -3.939 1.00 3.81 N ATOM 538 NH2 ARG A 37 2.277 5.690 -1.997 1.00 3.10 N ATOM 0 H ARG A 37 3.400 -0.402 -0.728 1.00 0.44 H new ATOM 0 HA ARG A 37 1.347 -0.421 -2.749 1.00 0.53 H new ATOM 0 HB2 ARG A 37 1.367 0.423 -0.274 1.00 0.81 H new ATOM 0 HB3 ARG A 37 2.104 1.867 -0.941 1.00 0.81 H new ATOM 0 HG2 ARG A 37 -0.533 0.773 -1.970 1.00 1.14 H new ATOM 0 HG3 ARG A 37 -0.444 1.867 -0.603 1.00 1.14 H new ATOM 0 HD2 ARG A 37 0.451 2.479 -3.448 1.00 1.51 H new ATOM 0 HD3 ARG A 37 -0.996 3.082 -2.663 1.00 1.51 H new ATOM 0 HE ARG A 37 0.662 4.140 -0.966 1.00 1.71 H new ATOM 0 HH11 ARG A 37 1.455 3.728 -4.439 1.00 3.81 H new ATOM 0 HH12 ARG A 37 2.577 5.093 -4.428 1.00 3.81 H new ATOM 0 HH21 ARG A 37 2.090 5.855 -1.008 1.00 3.10 H new ATOM 0 HH22 ARG A 37 2.934 6.288 -2.499 1.00 3.10 H new ATOM 552 N ASP A 38 3.958 1.525 -3.215 1.00 0.69 N ATOM 553 CA ASP A 38 4.761 2.186 -4.249 1.00 0.79 C ATOM 554 C ASP A 38 5.032 1.217 -5.406 1.00 0.76 C ATOM 555 O ASP A 38 4.759 1.551 -6.558 1.00 0.85 O ATOM 556 CB ASP A 38 6.103 2.667 -3.676 1.00 0.85 C ATOM 557 CG ASP A 38 6.036 3.796 -2.644 1.00 1.83 C ATOM 558 OD1 ASP A 38 5.166 4.691 -2.746 1.00 2.48 O ATOM 559 OD2 ASP A 38 6.903 3.804 -1.736 1.00 2.80 O ATOM 0 H ASP A 38 4.428 1.495 -2.310 1.00 0.69 H new ATOM 0 HA ASP A 38 4.199 3.047 -4.611 1.00 0.79 H new ATOM 0 HB2 ASP A 38 6.604 1.814 -3.218 1.00 0.85 H new ATOM 0 HB3 ASP A 38 6.730 2.998 -4.504 1.00 0.85 H new ATOM 564 N ALA A 39 5.485 -0.005 -5.092 1.00 0.69 N ATOM 565 CA ALA A 39 5.773 -1.054 -6.067 1.00 0.70 C ATOM 566 C ALA A 39 4.521 -1.493 -6.840 1.00 0.63 C ATOM 567 O ALA A 39 4.570 -1.616 -8.060 1.00 0.76 O ATOM 568 CB ALA A 39 6.410 -2.242 -5.338 1.00 0.70 C ATOM 0 H ALA A 39 5.664 -0.293 -4.130 1.00 0.69 H new ATOM 0 HA ALA A 39 6.465 -0.656 -6.809 1.00 0.70 H new ATOM 0 HB1 ALA A 39 6.630 -3.033 -6.055 1.00 0.70 H new ATOM 0 HB2 ALA A 39 7.334 -1.921 -4.857 1.00 0.70 H new ATOM 0 HB3 ALA A 39 5.720 -2.618 -4.583 1.00 0.70 H new ATOM 574 N CYS A 40 3.381 -1.665 -6.161 1.00 0.46 N ATOM 575 CA CYS A 40 2.118 -2.002 -6.820 1.00 0.38 C ATOM 576 C CYS A 40 1.653 -0.866 -7.750 1.00 0.38 C ATOM 577 O CYS A 40 1.214 -1.120 -8.871 1.00 0.41 O ATOM 578 CB CYS A 40 1.080 -2.365 -5.749 1.00 0.34 C ATOM 579 SG CYS A 40 -0.397 -3.216 -6.372 1.00 0.39 S ATOM 0 H CYS A 40 3.310 -1.575 -5.147 1.00 0.46 H new ATOM 0 HA CYS A 40 2.255 -2.870 -7.465 1.00 0.38 H new ATOM 0 HB2 CYS A 40 1.558 -2.998 -5.001 1.00 0.34 H new ATOM 0 HB3 CYS A 40 0.768 -1.452 -5.242 1.00 0.34 H new ATOM 584 N ILE A 41 1.815 0.399 -7.345 1.00 0.43 N ATOM 585 CA ILE A 41 1.520 1.556 -8.205 1.00 0.53 C ATOM 586 C ILE A 41 2.504 1.667 -9.383 1.00 0.67 C ATOM 587 O ILE A 41 2.072 2.057 -10.468 1.00 0.75 O ATOM 588 CB ILE A 41 1.391 2.836 -7.345 1.00 0.70 C ATOM 589 CG1 ILE A 41 -0.056 3.055 -6.837 1.00 0.74 C ATOM 590 CG2 ILE A 41 1.792 4.125 -8.079 1.00 0.90 C ATOM 591 CD1 ILE A 41 -0.759 1.850 -6.204 1.00 0.78 C ATOM 0 H ILE A 41 2.153 0.651 -6.416 1.00 0.43 H new ATOM 0 HA ILE A 41 0.552 1.411 -8.685 1.00 0.53 H new ATOM 0 HB ILE A 41 2.081 2.657 -6.520 1.00 0.70 H new ATOM 0 HG12 ILE A 41 -0.040 3.862 -6.104 1.00 0.74 H new ATOM 0 HG13 ILE A 41 -0.661 3.399 -7.676 1.00 0.74 H new ATOM 0 HG21 ILE A 41 1.674 4.977 -7.409 1.00 0.90 H new ATOM 0 HG22 ILE A 41 2.832 4.054 -8.396 1.00 0.90 H new ATOM 0 HG23 ILE A 41 1.155 4.259 -8.953 1.00 0.90 H new ATOM 0 HD11 ILE A 41 -1.763 2.137 -5.891 1.00 0.78 H new ATOM 0 HD12 ILE A 41 -0.823 1.042 -6.933 1.00 0.78 H new ATOM 0 HD13 ILE A 41 -0.192 1.512 -5.337 1.00 0.78 H new ATOM 603 N ILE A 42 3.775 1.264 -9.240 1.00 0.74 N ATOM 604 CA ILE A 42 4.666 1.096 -10.416 1.00 0.88 C ATOM 605 C ILE A 42 4.148 -0.016 -11.352 1.00 0.91 C ATOM 606 O ILE A 42 3.917 0.208 -12.544 1.00 1.16 O ATOM 607 CB ILE A 42 6.141 0.866 -9.996 1.00 0.94 C ATOM 608 CG1 ILE A 42 6.777 2.085 -9.288 1.00 0.98 C ATOM 609 CG2 ILE A 42 7.024 0.465 -11.193 1.00 1.19 C ATOM 610 CD1 ILE A 42 6.874 3.381 -10.107 1.00 2.41 C ATOM 0 H ILE A 42 4.211 1.050 -8.343 1.00 0.74 H new ATOM 0 HA ILE A 42 4.647 2.029 -10.979 1.00 0.88 H new ATOM 0 HB ILE A 42 6.101 0.045 -9.280 1.00 0.94 H new ATOM 0 HG12 ILE A 42 6.202 2.294 -8.386 1.00 0.98 H new ATOM 0 HG13 ILE A 42 7.781 1.808 -8.968 1.00 0.98 H new ATOM 0 HG21 ILE A 42 8.049 0.314 -10.854 1.00 1.19 H new ATOM 0 HG22 ILE A 42 6.646 -0.459 -11.630 1.00 1.19 H new ATOM 0 HG23 ILE A 42 7.002 1.256 -11.942 1.00 1.19 H new ATOM 0 HD11 ILE A 42 7.337 4.160 -9.502 1.00 2.41 H new ATOM 0 HD12 ILE A 42 7.479 3.205 -10.996 1.00 2.41 H new ATOM 0 HD13 ILE A 42 5.875 3.699 -10.405 1.00 2.41 H new ATOM 622 N GLU A 43 3.934 -1.214 -10.812 1.00 0.77 N ATOM 623 CA GLU A 43 3.681 -2.452 -11.564 1.00 0.84 C ATOM 624 C GLU A 43 2.288 -2.545 -12.196 1.00 0.77 C ATOM 625 O GLU A 43 2.135 -3.081 -13.297 1.00 1.02 O ATOM 626 CB GLU A 43 3.854 -3.630 -10.593 1.00 0.98 C ATOM 627 CG GLU A 43 5.324 -3.918 -10.267 1.00 1.58 C ATOM 628 CD GLU A 43 5.867 -4.969 -11.227 1.00 2.17 C ATOM 629 OE1 GLU A 43 5.727 -6.175 -10.913 1.00 2.50 O ATOM 630 OE2 GLU A 43 6.412 -4.624 -12.305 1.00 3.34 O ATOM 0 H GLU A 43 3.931 -1.360 -9.802 1.00 0.77 H new ATOM 0 HA GLU A 43 4.389 -2.468 -12.393 1.00 0.84 H new ATOM 0 HB2 GLU A 43 3.317 -3.416 -9.669 1.00 0.98 H new ATOM 0 HB3 GLU A 43 3.401 -4.522 -11.026 1.00 0.98 H new ATOM 0 HG2 GLU A 43 5.910 -3.002 -10.346 1.00 1.58 H new ATOM 0 HG3 GLU A 43 5.417 -4.268 -9.239 1.00 1.58 H new ATOM 637 N LYS A 44 1.259 -2.054 -11.501 1.00 0.57 N ATOM 638 CA LYS A 44 -0.159 -2.249 -11.847 1.00 0.67 C ATOM 639 C LYS A 44 -0.950 -0.933 -11.860 1.00 0.64 C ATOM 640 O LYS A 44 -1.797 -0.746 -12.735 1.00 0.84 O ATOM 641 CB LYS A 44 -0.810 -3.266 -10.884 1.00 0.87 C ATOM 642 CG LYS A 44 0.064 -4.425 -10.363 1.00 1.29 C ATOM 643 CD LYS A 44 -0.795 -5.381 -9.521 1.00 1.40 C ATOM 644 CE LYS A 44 0.056 -6.398 -8.749 1.00 2.16 C ATOM 645 NZ LYS A 44 -0.798 -7.288 -7.928 1.00 2.68 N ATOM 0 H LYS A 44 1.388 -1.494 -10.658 1.00 0.57 H new ATOM 0 HA LYS A 44 -0.190 -2.644 -12.862 1.00 0.67 H new ATOM 0 HB2 LYS A 44 -1.186 -2.716 -10.021 1.00 0.87 H new ATOM 0 HB3 LYS A 44 -1.674 -3.699 -11.388 1.00 0.87 H new ATOM 0 HG2 LYS A 44 0.510 -4.962 -11.200 1.00 1.29 H new ATOM 0 HG3 LYS A 44 0.885 -4.033 -9.762 1.00 1.29 H new ATOM 0 HD2 LYS A 44 -1.395 -4.804 -8.818 1.00 1.40 H new ATOM 0 HD3 LYS A 44 -1.490 -5.911 -10.172 1.00 1.40 H new ATOM 0 HE2 LYS A 44 0.642 -6.994 -9.449 1.00 2.16 H new ATOM 0 HE3 LYS A 44 0.764 -5.873 -8.107 1.00 2.16 H new ATOM 0 HZ1 LYS A 44 -0.200 -7.967 -7.415 1.00 2.68 H new ATOM 0 HZ2 LYS A 44 -1.338 -6.718 -7.246 1.00 2.68 H new ATOM 0 HZ3 LYS A 44 -1.456 -7.804 -8.546 1.00 2.68 H new ATOM 659 N GLY A 45 -0.661 -0.018 -10.932 1.00 0.60 N ATOM 660 CA GLY A 45 -1.316 1.290 -10.814 1.00 0.67 C ATOM 661 C GLY A 45 -2.444 1.349 -9.780 1.00 0.71 C ATOM 662 O GLY A 45 -2.917 0.324 -9.293 1.00 0.79 O ATOM 0 H GLY A 45 0.055 -0.169 -10.221 1.00 0.60 H new ATOM 0 HA2 GLY A 45 -0.564 2.036 -10.555 1.00 0.67 H new ATOM 0 HA3 GLY A 45 -1.719 1.569 -11.788 1.00 0.67 H new ATOM 666 N GLU A 46 -2.885 2.565 -9.437 1.00 0.83 N ATOM 667 CA GLU A 46 -3.834 2.817 -8.330 1.00 0.98 C ATOM 668 C GLU A 46 -5.117 1.969 -8.426 1.00 0.97 C ATOM 669 O GLU A 46 -5.540 1.350 -7.447 1.00 1.17 O ATOM 670 CB GLU A 46 -4.217 4.309 -8.281 1.00 1.24 C ATOM 671 CG GLU A 46 -3.036 5.239 -7.974 1.00 1.45 C ATOM 672 CD GLU A 46 -3.487 6.702 -7.883 1.00 2.19 C ATOM 673 OE1 GLU A 46 -3.579 7.378 -8.936 1.00 3.26 O ATOM 674 OE2 GLU A 46 -3.715 7.221 -6.758 1.00 2.76 O ATOM 0 H GLU A 46 -2.594 3.415 -9.921 1.00 0.83 H new ATOM 0 HA GLU A 46 -3.317 2.526 -7.415 1.00 0.98 H new ATOM 0 HB2 GLU A 46 -4.654 4.595 -9.238 1.00 1.24 H new ATOM 0 HB3 GLU A 46 -4.988 4.453 -7.524 1.00 1.24 H new ATOM 0 HG2 GLU A 46 -2.570 4.941 -7.035 1.00 1.45 H new ATOM 0 HG3 GLU A 46 -2.279 5.137 -8.751 1.00 1.45 H new ATOM 681 N GLU A 47 -5.694 1.870 -9.627 1.00 0.87 N ATOM 682 CA GLU A 47 -6.926 1.118 -9.912 1.00 0.97 C ATOM 683 C GLU A 47 -6.717 -0.389 -10.161 1.00 0.95 C ATOM 684 O GLU A 47 -7.618 -1.062 -10.665 1.00 1.63 O ATOM 685 CB GLU A 47 -7.736 1.817 -11.018 1.00 1.27 C ATOM 686 CG GLU A 47 -6.996 1.882 -12.359 1.00 1.90 C ATOM 687 CD GLU A 47 -7.862 2.491 -13.466 1.00 2.71 C ATOM 688 OE1 GLU A 47 -8.332 3.645 -13.308 1.00 3.46 O ATOM 689 OE2 GLU A 47 -8.007 1.849 -14.534 1.00 3.39 O ATOM 0 H GLU A 47 -5.307 2.324 -10.455 1.00 0.87 H new ATOM 0 HA GLU A 47 -7.520 1.134 -8.998 1.00 0.97 H new ATOM 0 HB2 GLU A 47 -8.680 1.290 -11.156 1.00 1.27 H new ATOM 0 HB3 GLU A 47 -7.980 2.829 -10.696 1.00 1.27 H new ATOM 0 HG2 GLU A 47 -6.088 2.473 -12.243 1.00 1.90 H new ATOM 0 HG3 GLU A 47 -6.688 0.878 -12.651 1.00 1.90 H new ATOM 696 N HIS A 48 -5.547 -0.934 -9.817 1.00 0.71 N ATOM 697 CA HIS A 48 -5.256 -2.377 -9.781 1.00 0.76 C ATOM 698 C HIS A 48 -4.711 -2.837 -8.408 1.00 0.63 C ATOM 699 O HIS A 48 -4.312 -3.996 -8.257 1.00 0.79 O ATOM 700 CB HIS A 48 -4.253 -2.732 -10.891 1.00 0.90 C ATOM 701 CG HIS A 48 -4.682 -2.531 -12.325 1.00 1.24 C ATOM 702 ND1 HIS A 48 -5.834 -1.940 -12.790 1.00 1.49 N ATOM 703 CD2 HIS A 48 -3.936 -2.865 -13.421 1.00 2.78 C ATOM 704 CE1 HIS A 48 -5.764 -1.877 -14.129 1.00 1.50 C ATOM 705 NE2 HIS A 48 -4.623 -2.441 -14.566 1.00 2.55 N ATOM 0 H HIS A 48 -4.745 -0.365 -9.545 1.00 0.71 H new ATOM 0 HA HIS A 48 -6.196 -2.903 -9.945 1.00 0.76 H new ATOM 0 HB2 HIS A 48 -3.351 -2.143 -10.727 1.00 0.90 H new ATOM 0 HB3 HIS A 48 -3.977 -3.779 -10.769 1.00 0.90 H new ATOM 0 HD1 HIS A 48 -6.608 -1.607 -12.216 1.00 1.49 H new ATOM 0 HD2 HIS A 48 -2.981 -3.369 -13.407 1.00 2.78 H new ATOM 0 HE1 HIS A 48 -6.517 -1.436 -14.766 1.00 1.50 H new ATOM 713 N CYS A 49 -4.661 -1.942 -7.413 1.00 0.51 N ATOM 714 CA CYS A 49 -3.951 -2.129 -6.140 1.00 0.45 C ATOM 715 C CYS A 49 -4.830 -1.904 -4.897 1.00 0.47 C ATOM 716 O CYS A 49 -4.317 -1.540 -3.838 1.00 0.43 O ATOM 717 CB CYS A 49 -2.703 -1.238 -6.148 1.00 0.40 C ATOM 718 SG CYS A 49 -1.460 -1.779 -7.342 1.00 0.35 S ATOM 0 H CYS A 49 -5.129 -1.038 -7.473 1.00 0.51 H new ATOM 0 HA CYS A 49 -3.656 -3.176 -6.062 1.00 0.45 H new ATOM 0 HB2 CYS A 49 -2.996 -0.213 -6.376 1.00 0.40 H new ATOM 0 HB3 CYS A 49 -2.262 -1.230 -5.151 1.00 0.40 H new ATOM 723 N GLY A 50 -6.151 -2.089 -5.009 1.00 0.56 N ATOM 724 CA GLY A 50 -7.116 -1.727 -3.963 1.00 0.57 C ATOM 725 C GLY A 50 -6.844 -2.367 -2.603 1.00 0.44 C ATOM 726 O GLY A 50 -6.793 -1.665 -1.597 1.00 0.44 O ATOM 0 H GLY A 50 -6.585 -2.498 -5.837 1.00 0.56 H new ATOM 0 HA2 GLY A 50 -7.118 -0.643 -3.847 1.00 0.57 H new ATOM 0 HA3 GLY A 50 -8.115 -2.014 -4.292 1.00 0.57 H new ATOM 730 N HIS A 51 -6.564 -3.671 -2.565 1.00 0.48 N ATOM 731 CA HIS A 51 -6.257 -4.374 -1.316 1.00 0.47 C ATOM 732 C HIS A 51 -4.866 -4.021 -0.759 1.00 0.46 C ATOM 733 O HIS A 51 -4.665 -4.052 0.455 1.00 0.48 O ATOM 734 CB HIS A 51 -6.412 -5.884 -1.527 1.00 0.71 C ATOM 735 CG HIS A 51 -7.847 -6.325 -1.669 1.00 1.51 C ATOM 736 ND1 HIS A 51 -8.572 -6.988 -0.711 1.00 2.34 N ATOM 737 CD2 HIS A 51 -8.659 -6.188 -2.764 1.00 2.83 C ATOM 738 CE1 HIS A 51 -9.776 -7.285 -1.219 1.00 3.06 C ATOM 739 NE2 HIS A 51 -9.881 -6.810 -2.473 1.00 3.46 N ATOM 0 H HIS A 51 -6.543 -4.267 -3.393 1.00 0.48 H new ATOM 0 HA HIS A 51 -6.970 -4.042 -0.561 1.00 0.47 H new ATOM 0 HB2 HIS A 51 -5.860 -6.177 -2.420 1.00 0.71 H new ATOM 0 HB3 HIS A 51 -5.960 -6.409 -0.686 1.00 0.71 H new ATOM 0 HD2 HIS A 51 -8.403 -5.689 -3.687 1.00 2.83 H new ATOM 0 HE1 HIS A 51 -10.550 -7.827 -0.697 1.00 3.06 H new ATOM 0 HE2 HIS A 51 -10.690 -6.887 -3.090 1.00 3.46 H new ATOM 747 N LEU A 52 -3.913 -3.628 -1.612 1.00 0.56 N ATOM 748 CA LEU A 52 -2.608 -3.116 -1.179 1.00 0.65 C ATOM 749 C LEU A 52 -2.750 -1.719 -0.538 1.00 0.61 C ATOM 750 O LEU A 52 -2.207 -1.454 0.534 1.00 0.64 O ATOM 751 CB LEU A 52 -1.648 -3.117 -2.391 1.00 0.84 C ATOM 752 CG LEU A 52 -0.166 -3.382 -2.065 1.00 0.63 C ATOM 753 CD1 LEU A 52 0.340 -2.532 -0.905 1.00 0.74 C ATOM 754 CD2 LEU A 52 0.094 -4.853 -1.743 1.00 1.01 C ATOM 0 H LEU A 52 -4.026 -3.656 -2.625 1.00 0.56 H new ATOM 0 HA LEU A 52 -2.189 -3.762 -0.407 1.00 0.65 H new ATOM 0 HB2 LEU A 52 -1.987 -3.873 -3.099 1.00 0.84 H new ATOM 0 HB3 LEU A 52 -1.724 -2.153 -2.893 1.00 0.84 H new ATOM 0 HG LEU A 52 0.380 -3.105 -2.967 1.00 0.63 H new ATOM 0 HD11 LEU A 52 1.390 -2.759 -0.718 1.00 0.74 H new ATOM 0 HD12 LEU A 52 0.236 -1.476 -1.155 1.00 0.74 H new ATOM 0 HD13 LEU A 52 -0.244 -2.752 -0.011 1.00 0.74 H new ATOM 0 HD21 LEU A 52 1.151 -4.995 -1.519 1.00 1.01 H new ATOM 0 HD22 LEU A 52 -0.502 -5.147 -0.879 1.00 1.01 H new ATOM 0 HD23 LEU A 52 -0.181 -5.467 -2.600 1.00 1.01 H new ATOM 766 N ILE A 53 -3.540 -0.843 -1.160 1.00 0.60 N ATOM 767 CA ILE A 53 -3.917 0.480 -0.638 1.00 0.65 C ATOM 768 C ILE A 53 -4.650 0.339 0.705 1.00 0.58 C ATOM 769 O ILE A 53 -4.321 1.032 1.668 1.00 0.68 O ATOM 770 CB ILE A 53 -4.756 1.209 -1.710 1.00 0.74 C ATOM 771 CG1 ILE A 53 -3.825 1.667 -2.855 1.00 0.82 C ATOM 772 CG2 ILE A 53 -5.552 2.394 -1.139 1.00 0.86 C ATOM 773 CD1 ILE A 53 -4.598 1.926 -4.146 1.00 0.86 C ATOM 0 H ILE A 53 -3.951 -1.038 -2.073 1.00 0.60 H new ATOM 0 HA ILE A 53 -3.031 1.082 -0.435 1.00 0.65 H new ATOM 0 HB ILE A 53 -5.497 0.507 -2.093 1.00 0.74 H new ATOM 0 HG12 ILE A 53 -3.302 2.575 -2.556 1.00 0.82 H new ATOM 0 HG13 ILE A 53 -3.066 0.905 -3.033 1.00 0.82 H new ATOM 0 HG21 ILE A 53 -6.122 2.868 -1.938 1.00 0.86 H new ATOM 0 HG22 ILE A 53 -6.235 2.036 -0.369 1.00 0.86 H new ATOM 0 HG23 ILE A 53 -4.864 3.119 -0.705 1.00 0.86 H new ATOM 0 HD11 ILE A 53 -3.907 2.246 -4.926 1.00 0.86 H new ATOM 0 HD12 ILE A 53 -5.100 1.011 -4.459 1.00 0.86 H new ATOM 0 HD13 ILE A 53 -5.340 2.707 -3.976 1.00 0.86 H new ATOM 785 N GLU A 54 -5.588 -0.605 0.793 1.00 0.47 N ATOM 786 CA GLU A 54 -6.327 -0.944 2.017 1.00 0.49 C ATOM 787 C GLU A 54 -5.387 -1.416 3.146 1.00 0.46 C ATOM 788 O GLU A 54 -5.500 -0.974 4.294 1.00 0.51 O ATOM 789 CB GLU A 54 -7.365 -2.028 1.679 1.00 0.56 C ATOM 790 CG GLU A 54 -8.378 -2.275 2.799 1.00 0.70 C ATOM 791 CD GLU A 54 -9.226 -3.519 2.514 1.00 0.99 C ATOM 792 OE1 GLU A 54 -9.974 -3.573 1.508 1.00 1.68 O ATOM 793 OE2 GLU A 54 -9.206 -4.464 3.335 1.00 1.97 O ATOM 0 H GLU A 54 -5.865 -1.173 -0.007 1.00 0.47 H new ATOM 0 HA GLU A 54 -6.829 -0.049 2.385 1.00 0.49 H new ATOM 0 HB2 GLU A 54 -7.899 -1.738 0.774 1.00 0.56 H new ATOM 0 HB3 GLU A 54 -6.846 -2.960 1.458 1.00 0.56 H new ATOM 0 HG2 GLU A 54 -7.854 -2.398 3.747 1.00 0.70 H new ATOM 0 HG3 GLU A 54 -9.027 -1.406 2.904 1.00 0.70 H new ATOM 800 N ALA A 55 -4.420 -2.275 2.814 1.00 0.43 N ATOM 801 CA ALA A 55 -3.431 -2.787 3.755 1.00 0.48 C ATOM 802 C ALA A 55 -2.462 -1.698 4.247 1.00 0.57 C ATOM 803 O ALA A 55 -2.178 -1.629 5.447 1.00 0.60 O ATOM 804 CB ALA A 55 -2.689 -3.949 3.085 1.00 0.56 C ATOM 0 H ALA A 55 -4.304 -2.638 1.868 1.00 0.43 H new ATOM 0 HA ALA A 55 -3.942 -3.140 4.650 1.00 0.48 H new ATOM 0 HB1 ALA A 55 -1.943 -4.348 3.772 1.00 0.56 H new ATOM 0 HB2 ALA A 55 -3.400 -4.733 2.825 1.00 0.56 H new ATOM 0 HB3 ALA A 55 -2.196 -3.593 2.181 1.00 0.56 H new ATOM 810 N HIS A 56 -1.992 -0.818 3.356 1.00 0.69 N ATOM 811 CA HIS A 56 -1.140 0.316 3.721 1.00 0.81 C ATOM 812 C HIS A 56 -1.875 1.304 4.640 1.00 0.82 C ATOM 813 O HIS A 56 -1.336 1.685 5.685 1.00 0.87 O ATOM 814 CB HIS A 56 -0.619 1.005 2.450 1.00 0.85 C ATOM 815 CG HIS A 56 0.126 2.285 2.742 1.00 1.04 C ATOM 816 ND1 HIS A 56 -0.130 3.524 2.196 1.00 1.39 N ATOM 817 CD2 HIS A 56 1.085 2.465 3.703 1.00 1.86 C ATOM 818 CE1 HIS A 56 0.646 4.422 2.825 1.00 2.11 C ATOM 819 NE2 HIS A 56 1.407 3.826 3.755 1.00 2.54 N ATOM 0 H HIS A 56 -2.194 -0.874 2.358 1.00 0.69 H new ATOM 0 HA HIS A 56 -0.287 -0.059 4.287 1.00 0.81 H new ATOM 0 HB2 HIS A 56 0.040 0.321 1.915 1.00 0.85 H new ATOM 0 HB3 HIS A 56 -1.459 1.221 1.789 1.00 0.85 H new ATOM 0 HD2 HIS A 56 1.519 1.689 4.316 1.00 1.86 H new ATOM 0 HE1 HIS A 56 0.656 5.481 2.611 1.00 2.11 H new ATOM 0 HE2 HIS A 56 2.083 4.274 4.374 1.00 2.54 H new ATOM 827 N LYS A 57 -3.123 1.675 4.317 1.00 0.80 N ATOM 828 CA LYS A 57 -3.887 2.620 5.144 1.00 0.89 C ATOM 829 C LYS A 57 -4.292 2.041 6.493 1.00 0.82 C ATOM 830 O LYS A 57 -4.258 2.770 7.472 1.00 0.89 O ATOM 831 CB LYS A 57 -5.059 3.220 4.363 1.00 0.97 C ATOM 832 CG LYS A 57 -6.244 2.264 4.180 1.00 0.87 C ATOM 833 CD LYS A 57 -7.379 2.854 3.341 1.00 1.21 C ATOM 834 CE LYS A 57 -6.885 3.320 1.967 1.00 2.56 C ATOM 835 NZ LYS A 57 -7.998 3.767 1.104 1.00 2.67 N ATOM 0 H LYS A 57 -3.622 1.337 3.494 1.00 0.80 H new ATOM 0 HA LYS A 57 -3.218 3.445 5.388 1.00 0.89 H new ATOM 0 HB2 LYS A 57 -5.405 4.116 4.879 1.00 0.97 H new ATOM 0 HB3 LYS A 57 -4.705 3.534 3.381 1.00 0.97 H new ATOM 0 HG2 LYS A 57 -5.892 1.347 3.707 1.00 0.87 H new ATOM 0 HG3 LYS A 57 -6.633 1.988 5.160 1.00 0.87 H new ATOM 0 HD2 LYS A 57 -8.162 2.107 3.212 1.00 1.21 H new ATOM 0 HD3 LYS A 57 -7.825 3.695 3.872 1.00 1.21 H new ATOM 0 HE2 LYS A 57 -6.174 4.136 2.094 1.00 2.56 H new ATOM 0 HE3 LYS A 57 -6.351 2.505 1.478 1.00 2.56 H new ATOM 0 HZ1 LYS A 57 -7.622 4.074 0.184 1.00 2.67 H new ATOM 0 HZ2 LYS A 57 -8.664 2.981 0.961 1.00 2.67 H new ATOM 0 HZ3 LYS A 57 -8.492 4.561 1.559 1.00 2.67 H new ATOM 849 N GLU A 58 -4.567 0.739 6.591 1.00 0.74 N ATOM 850 CA GLU A 58 -4.643 0.062 7.903 1.00 0.85 C ATOM 851 C GLU A 58 -3.342 0.207 8.690 1.00 0.89 C ATOM 852 O GLU A 58 -3.362 0.572 9.873 1.00 1.04 O ATOM 853 CB GLU A 58 -4.899 -1.442 7.745 1.00 1.18 C ATOM 854 CG GLU A 58 -6.372 -1.727 7.510 1.00 1.38 C ATOM 855 CD GLU A 58 -6.659 -3.228 7.359 1.00 1.88 C ATOM 856 OE1 GLU A 58 -5.731 -4.074 7.317 1.00 3.30 O ATOM 857 OE2 GLU A 58 -7.853 -3.606 7.358 1.00 1.71 O ATOM 0 H GLU A 58 -4.740 0.131 5.791 1.00 0.74 H new ATOM 0 HA GLU A 58 -5.466 0.540 8.434 1.00 0.85 H new ATOM 0 HB2 GLU A 58 -4.314 -1.827 6.910 1.00 1.18 H new ATOM 0 HB3 GLU A 58 -4.563 -1.967 8.639 1.00 1.18 H new ATOM 0 HG2 GLU A 58 -6.954 -1.330 8.342 1.00 1.38 H new ATOM 0 HG3 GLU A 58 -6.702 -1.204 6.612 1.00 1.38 H new ATOM 864 N SER A 59 -2.213 -0.064 8.027 1.00 0.85 N ATOM 865 CA SER A 59 -0.895 -0.030 8.654 1.00 0.93 C ATOM 866 C SER A 59 -0.573 1.344 9.239 1.00 1.03 C ATOM 867 O SER A 59 -0.061 1.419 10.352 1.00 1.20 O ATOM 868 CB SER A 59 0.183 -0.447 7.652 1.00 0.98 C ATOM 869 OG SER A 59 1.190 -1.154 8.345 1.00 1.51 O ATOM 0 H SER A 59 -2.191 -0.313 7.038 1.00 0.85 H new ATOM 0 HA SER A 59 -0.910 -0.741 9.480 1.00 0.93 H new ATOM 0 HB2 SER A 59 -0.248 -1.072 6.870 1.00 0.98 H new ATOM 0 HB3 SER A 59 0.605 0.431 7.163 1.00 0.98 H new ATOM 0 HG SER A 59 1.803 -1.566 7.701 1.00 1.51 H new ATOM 875 N MET A 60 -0.910 2.431 8.542 1.00 1.02 N ATOM 876 CA MET A 60 -0.709 3.790 9.060 1.00 1.18 C ATOM 877 C MET A 60 -1.870 4.306 9.921 1.00 1.24 C ATOM 878 O MET A 60 -1.633 5.152 10.784 1.00 1.36 O ATOM 879 CB MET A 60 -0.338 4.757 7.932 1.00 1.41 C ATOM 880 CG MET A 60 0.884 4.306 7.123 1.00 1.98 C ATOM 881 SD MET A 60 2.291 3.639 8.066 1.00 1.89 S ATOM 882 CE MET A 60 3.137 2.699 6.769 1.00 2.54 C ATOM 0 H MET A 60 -1.326 2.398 7.611 1.00 1.02 H new ATOM 0 HA MET A 60 0.136 3.735 9.746 1.00 1.18 H new ATOM 0 HB2 MET A 60 -1.190 4.865 7.261 1.00 1.41 H new ATOM 0 HB3 MET A 60 -0.141 5.741 8.357 1.00 1.41 H new ATOM 0 HG2 MET A 60 0.560 3.545 6.413 1.00 1.98 H new ATOM 0 HG3 MET A 60 1.238 5.156 6.540 1.00 1.98 H new ATOM 0 HE1 MET A 60 4.026 2.225 7.184 1.00 2.54 H new ATOM 0 HE2 MET A 60 2.467 1.933 6.379 1.00 2.54 H new ATOM 0 HE3 MET A 60 3.428 3.372 5.963 1.00 2.54 H new ATOM 892 N ARG A 61 -3.094 3.762 9.803 1.00 1.21 N ATOM 893 CA ARG A 61 -4.177 4.027 10.771 1.00 1.34 C ATOM 894 C ARG A 61 -3.805 3.517 12.162 1.00 1.30 C ATOM 895 O ARG A 61 -4.132 4.168 13.153 1.00 1.46 O ATOM 896 CB ARG A 61 -5.495 3.444 10.237 1.00 1.37 C ATOM 897 CG ARG A 61 -6.705 3.623 11.173 1.00 1.50 C ATOM 898 CD ARG A 61 -6.941 2.426 12.105 1.00 1.75 C ATOM 899 NE ARG A 61 -7.362 1.235 11.350 1.00 2.24 N ATOM 900 CZ ARG A 61 -7.472 -0.008 11.850 1.00 3.27 C ATOM 901 NH1 ARG A 61 -7.185 -0.281 13.132 1.00 4.02 N ATOM 902 NH2 ARG A 61 -7.883 -0.998 11.047 1.00 4.25 N ATOM 0 H ARG A 61 -3.360 3.134 9.045 1.00 1.21 H new ATOM 0 HA ARG A 61 -4.321 5.102 10.882 1.00 1.34 H new ATOM 0 HB2 ARG A 61 -5.722 3.912 9.279 1.00 1.37 H new ATOM 0 HB3 ARG A 61 -5.355 2.380 10.046 1.00 1.37 H new ATOM 0 HG2 ARG A 61 -6.558 4.519 11.776 1.00 1.50 H new ATOM 0 HG3 ARG A 61 -7.599 3.786 10.571 1.00 1.50 H new ATOM 0 HD2 ARG A 61 -6.027 2.206 12.656 1.00 1.75 H new ATOM 0 HD3 ARG A 61 -7.703 2.681 12.841 1.00 1.75 H new ATOM 0 HE ARG A 61 -7.590 1.364 10.364 1.00 2.24 H new ATOM 0 HH11 ARG A 61 -6.874 0.464 13.755 1.00 4.02 H new ATOM 0 HH12 ARG A 61 -7.278 -1.234 13.484 1.00 4.02 H new ATOM 0 HH21 ARG A 61 -8.107 -0.803 10.071 1.00 4.25 H new ATOM 0 HH22 ARG A 61 -7.972 -1.947 11.411 1.00 4.25 H new ATOM 916 N ALA A 62 -3.048 2.422 12.245 1.00 1.14 N ATOM 917 CA ALA A 62 -2.462 1.955 13.509 1.00 1.16 C ATOM 918 C ALA A 62 -1.442 2.925 14.155 1.00 1.24 C ATOM 919 O ALA A 62 -1.117 2.742 15.328 1.00 1.31 O ATOM 920 CB ALA A 62 -1.852 0.569 13.289 1.00 1.13 C ATOM 0 H ALA A 62 -2.823 1.834 11.443 1.00 1.14 H new ATOM 0 HA ALA A 62 -3.275 1.908 14.234 1.00 1.16 H new ATOM 0 HB1 ALA A 62 -1.414 0.212 14.221 1.00 1.13 H new ATOM 0 HB2 ALA A 62 -2.629 -0.123 12.965 1.00 1.13 H new ATOM 0 HB3 ALA A 62 -1.078 0.629 12.524 1.00 1.13 H new ATOM 926 N LEU A 63 -0.951 3.948 13.432 1.00 1.30 N ATOM 927 CA LEU A 63 -0.070 5.002 13.969 1.00 1.46 C ATOM 928 C LEU A 63 -0.752 6.384 14.042 1.00 1.89 C ATOM 929 O LEU A 63 -0.153 7.365 14.495 1.00 2.26 O ATOM 930 CB LEU A 63 1.247 5.073 13.169 1.00 1.39 C ATOM 931 CG LEU A 63 2.236 3.899 13.292 1.00 1.28 C ATOM 932 CD1 LEU A 63 2.471 3.434 14.729 1.00 1.51 C ATOM 933 CD2 LEU A 63 1.805 2.702 12.461 1.00 1.11 C ATOM 0 H LEU A 63 -1.159 4.068 12.441 1.00 1.30 H new ATOM 0 HA LEU A 63 0.158 4.722 14.997 1.00 1.46 H new ATOM 0 HB2 LEU A 63 0.991 5.184 12.115 1.00 1.39 H new ATOM 0 HB3 LEU A 63 1.770 5.982 13.468 1.00 1.39 H new ATOM 0 HG LEU A 63 3.175 4.300 12.911 1.00 1.28 H new ATOM 0 HD11 LEU A 63 3.179 2.605 14.732 1.00 1.51 H new ATOM 0 HD12 LEU A 63 2.875 4.258 15.317 1.00 1.51 H new ATOM 0 HD13 LEU A 63 1.527 3.107 15.164 1.00 1.51 H new ATOM 0 HD21 LEU A 63 2.531 1.898 12.578 1.00 1.11 H new ATOM 0 HD22 LEU A 63 0.827 2.359 12.797 1.00 1.11 H new ATOM 0 HD23 LEU A 63 1.748 2.990 11.411 1.00 1.11 H new ATOM 945 N GLY A 64 -2.008 6.483 13.603 1.00 1.94 N ATOM 946 CA GLY A 64 -2.830 7.695 13.615 1.00 2.45 C ATOM 947 C GLY A 64 -2.597 8.667 12.451 1.00 2.73 C ATOM 948 O GLY A 64 -3.552 9.329 12.046 1.00 3.37 O ATOM 0 H GLY A 64 -2.503 5.682 13.211 1.00 1.94 H new ATOM 0 HA2 GLY A 64 -3.879 7.400 13.614 1.00 2.45 H new ATOM 0 HA3 GLY A 64 -2.649 8.226 14.550 1.00 2.45 H new ATOM 952 N PHE A 65 -1.407 8.718 11.840 1.00 2.55 N ATOM 953 CA PHE A 65 -1.037 9.725 10.823 1.00 2.87 C ATOM 954 C PHE A 65 -1.553 9.442 9.396 1.00 2.79 C ATOM 955 O PHE A 65 -0.826 9.570 8.408 1.00 3.13 O ATOM 956 CB PHE A 65 0.468 10.041 10.905 1.00 3.00 C ATOM 957 CG PHE A 65 1.443 8.871 10.972 1.00 2.59 C ATOM 958 CD1 PHE A 65 1.557 7.923 9.930 1.00 2.93 C ATOM 959 CD2 PHE A 65 2.301 8.774 12.087 1.00 2.67 C ATOM 960 CE1 PHE A 65 2.513 6.895 10.015 1.00 2.70 C ATOM 961 CE2 PHE A 65 3.259 7.751 12.164 1.00 2.55 C ATOM 962 CZ PHE A 65 3.360 6.807 11.130 1.00 2.18 C ATOM 0 H PHE A 65 -0.659 8.053 12.037 1.00 2.55 H new ATOM 0 HA PHE A 65 -1.579 10.636 11.076 1.00 2.87 H new ATOM 0 HB2 PHE A 65 0.730 10.645 10.036 1.00 3.00 H new ATOM 0 HB3 PHE A 65 0.631 10.662 11.786 1.00 3.00 H new ATOM 0 HD1 PHE A 65 0.910 7.988 9.068 1.00 2.93 H new ATOM 0 HD2 PHE A 65 2.220 9.493 12.889 1.00 2.67 H new ATOM 0 HE1 PHE A 65 2.595 6.170 9.219 1.00 2.70 H new ATOM 0 HE2 PHE A 65 3.918 7.690 13.018 1.00 2.55 H new ATOM 0 HZ PHE A 65 4.090 6.013 11.193 1.00 2.18 H new ATOM 972 N LYS A 66 -2.826 9.054 9.281 1.00 2.51 N ATOM 973 CA LYS A 66 -3.454 8.593 8.029 1.00 2.34 C ATOM 974 C LYS A 66 -4.885 9.119 7.855 1.00 2.56 C ATOM 975 O LYS A 66 -5.182 9.788 6.859 1.00 2.99 O ATOM 976 CB LYS A 66 -3.349 7.052 8.022 1.00 1.76 C ATOM 977 CG LYS A 66 -3.808 6.347 6.733 1.00 1.78 C ATOM 978 CD LYS A 66 -2.916 6.658 5.519 1.00 2.30 C ATOM 979 CE LYS A 66 -3.491 7.759 4.622 1.00 2.54 C ATOM 980 NZ LYS A 66 -4.380 7.217 3.567 1.00 2.99 N ATOM 0 H LYS A 66 -3.469 9.050 10.073 1.00 2.51 H new ATOM 0 HA LYS A 66 -2.934 8.999 7.162 1.00 2.34 H new ATOM 0 HB2 LYS A 66 -2.311 6.778 8.212 1.00 1.76 H new ATOM 0 HB3 LYS A 66 -3.938 6.664 8.853 1.00 1.76 H new ATOM 0 HG2 LYS A 66 -3.819 5.270 6.900 1.00 1.78 H new ATOM 0 HG3 LYS A 66 -4.832 6.646 6.509 1.00 1.78 H new ATOM 0 HD2 LYS A 66 -1.929 6.960 5.868 1.00 2.30 H new ATOM 0 HD3 LYS A 66 -2.782 5.750 4.931 1.00 2.30 H new ATOM 0 HE2 LYS A 66 -4.047 8.469 5.234 1.00 2.54 H new ATOM 0 HE3 LYS A 66 -2.673 8.310 4.157 1.00 2.54 H new ATOM 0 HZ1 LYS A 66 -4.745 7.998 2.985 1.00 2.99 H new ATOM 0 HZ2 LYS A 66 -3.844 6.559 2.966 1.00 2.99 H new ATOM 0 HZ3 LYS A 66 -5.176 6.713 4.008 1.00 2.99 H new ATOM 994 N ILE A 67 -5.750 8.823 8.828 1.00 2.51 N ATOM 995 CA ILE A 67 -7.206 9.073 8.842 1.00 2.71 C ATOM 996 C ILE A 67 -7.713 9.347 10.260 1.00 2.95 C ATOM 997 O ILE A 67 -7.708 8.422 11.100 1.00 2.93 O ATOM 998 CB ILE A 67 -7.971 7.900 8.167 1.00 2.59 C ATOM 999 CG1 ILE A 67 -7.437 6.493 8.555 1.00 2.22 C ATOM 1000 CG2 ILE A 67 -7.959 8.115 6.645 1.00 2.87 C ATOM 1001 CD1 ILE A 67 -8.163 5.316 7.896 1.00 2.23 C ATOM 1002 OXT ILE A 67 -8.082 10.508 10.555 1.00 3.94 O ATOM 0 H ILE A 67 -5.438 8.372 9.688 1.00 2.51 H new ATOM 0 HA ILE A 67 -7.402 9.973 8.259 1.00 2.71 H new ATOM 0 HB ILE A 67 -8.995 7.913 8.539 1.00 2.59 H new ATOM 0 HG12 ILE A 67 -6.380 6.439 8.295 1.00 2.22 H new ATOM 0 HG13 ILE A 67 -7.505 6.382 9.637 1.00 2.22 H new ATOM 0 HG21 ILE A 67 -8.493 7.299 6.158 1.00 2.87 H new ATOM 0 HG22 ILE A 67 -8.447 9.060 6.407 1.00 2.87 H new ATOM 0 HG23 ILE A 67 -6.929 8.139 6.289 1.00 2.87 H new ATOM 0 HD11 ILE A 67 -7.716 4.380 8.231 1.00 2.23 H new ATOM 0 HD12 ILE A 67 -9.216 5.336 8.175 1.00 2.23 H new ATOM 0 HD13 ILE A 67 -8.073 5.394 6.812 1.00 2.23 H new TER 1014 ILE A 67