USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 789 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 67 TYR OH : rot -124:sc= 1.35 USER MOD Set 1.2: A 78 THR OG1 : rot 180:sc= 0.724 USER MOD Set 2.1: A 7 LYS NZ :NH3+ -147:sc= 2.21 (180deg=-0.221) USER MOD Set 2.2: A 97 TYR OH : rot 171:sc= 0.979 USER MOD Single : A 1 GLY N :NH3+ -157:sc= -1.48! (180deg=-3.4!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 13 LYS NZ :NH3+ -119:sc= -0.169 (180deg=-1.75!) USER MOD Single : A 14 CYS SG : rot 172:sc= -1.13 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HE2:sc= 0.595 K(o=0.6,f=-3.8!) USER MOD Single : A 19 THR OG1 : rot 44:sc= 0.172 USER MOD Single : A 28 THR OG1 : rot 26:sc= 0.565 USER MOD Single : A 31 ASN : amide:sc= -0.0344 X(o=-0.034,f=-0.034) USER MOD Single : A 33 HIS : no HD1:sc= -0.312 K(o=-0.31,f=-1.2) USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0152) USER MOD Single : A 40 THR OG1 : rot -115:sc= 1.25 USER MOD Single : A 42 GLN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 47 THR OG1 : rot -14:sc= 1.21 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 170:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.295 K(o=0.3,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ -149:sc= 1.2 (180deg=1.13) USER MOD Single : A 54 ASN : amide:sc= -0.102 X(o=-0.1,f=-0.1) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 THR OG1 : rot 9:sc= 0.194 USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= 1.16 (180deg=-0.747) USER MOD Single : A 63 THR OG1 : rot 100:sc= 0.546 USER MOD Single : A 65 MET CE :methyl -164:sc= -0.103 (180deg=-0.497) USER MOD Single : A 70 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.1) USER MOD Single : A 72 LYS NZ :NH3+ -160:sc= -0.0169 (180deg=-0.207) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 0:sc= -0.909 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 180:sc= -0.0967 (180deg=-0.0967) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0.113 USER MOD Single : A 99 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000743) USER MOD Single : A 100 LYS NZ :NH3+ -120:sc=-0.00302 (180deg=-0.765) USER MOD Single : A 102 THR OG1 : rot -33:sc= 1.06 USER MOD Single : A 103 ASN : amide:sc= 0.771 K(o=0.77,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.426 10.175 3.998 1.00 0.00 N ATOM 2 CA GLY A 1 -10.865 10.547 5.286 1.00 0.00 C ATOM 3 C GLY A 1 -10.055 11.791 4.972 1.00 0.00 C ATOM 4 O GLY A 1 -10.491 12.510 4.072 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.279 9.599 4.144 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.675 11.034 3.467 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.726 9.626 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.645 10.750 6.020 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.240 9.754 5.696 1.00 0.00 H new ATOM 10 N ASP A 2 -8.914 12.023 5.615 1.00 0.00 N ATOM 11 CA ASP A 2 -8.068 13.183 5.344 1.00 0.00 C ATOM 12 C ASP A 2 -6.645 12.744 4.983 1.00 0.00 C ATOM 13 O ASP A 2 -6.215 11.636 5.304 1.00 0.00 O ATOM 14 CB ASP A 2 -8.111 14.163 6.521 1.00 0.00 C ATOM 15 CG ASP A 2 -7.572 15.520 6.111 1.00 0.00 C ATOM 16 OD1 ASP A 2 -6.336 15.608 5.957 1.00 0.00 O ATOM 17 OD2 ASP A 2 -8.400 16.424 5.896 1.00 0.00 O ATOM 0 H ASP A 2 -8.548 11.409 6.342 1.00 0.00 H new ATOM 0 HA ASP A 2 -8.457 13.716 4.476 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -9.136 14.266 6.877 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -7.524 13.769 7.350 1.00 0.00 H new ATOM 22 N VAL A 3 -5.910 13.627 4.311 1.00 0.00 N ATOM 23 CA VAL A 3 -4.519 13.434 3.953 1.00 0.00 C ATOM 24 C VAL A 3 -3.659 13.464 5.211 1.00 0.00 C ATOM 25 O VAL A 3 -2.770 12.630 5.362 1.00 0.00 O ATOM 26 CB VAL A 3 -4.104 14.526 2.950 1.00 0.00 C ATOM 27 CG1 VAL A 3 -2.591 14.547 2.718 1.00 0.00 C ATOM 28 CG2 VAL A 3 -4.810 14.308 1.604 1.00 0.00 C ATOM 0 H VAL A 3 -6.283 14.522 3.994 1.00 0.00 H new ATOM 0 HA VAL A 3 -4.377 12.463 3.479 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.400 15.483 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -2.343 15.332 2.004 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -2.081 14.741 3.662 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.270 13.583 2.323 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -4.508 15.087 0.904 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.535 13.333 1.202 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -5.890 14.349 1.749 1.00 0.00 H new ATOM 38 N GLU A 4 -3.907 14.419 6.109 1.00 0.00 N ATOM 39 CA GLU A 4 -3.137 14.566 7.330 1.00 0.00 C ATOM 40 C GLU A 4 -3.381 13.352 8.216 1.00 0.00 C ATOM 41 O GLU A 4 -2.443 12.689 8.661 1.00 0.00 O ATOM 42 CB GLU A 4 -3.539 15.848 8.066 1.00 0.00 C ATOM 43 CG GLU A 4 -3.118 17.110 7.302 1.00 0.00 C ATOM 44 CD GLU A 4 -3.111 18.329 8.218 1.00 0.00 C ATOM 45 OE1 GLU A 4 -2.371 18.267 9.225 1.00 0.00 O ATOM 46 OE2 GLU A 4 -3.832 19.297 7.899 1.00 0.00 O ATOM 0 H GLU A 4 -4.650 15.110 6.003 1.00 0.00 H new ATOM 0 HA GLU A 4 -2.077 14.635 7.085 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -4.619 15.857 8.213 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -3.083 15.855 9.056 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.125 16.966 6.875 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.801 17.280 6.470 1.00 0.00 H new ATOM 53 N LYS A 5 -4.660 13.049 8.455 1.00 0.00 N ATOM 54 CA LYS A 5 -5.003 11.878 9.238 1.00 0.00 C ATOM 55 C LYS A 5 -4.463 10.628 8.560 1.00 0.00 C ATOM 56 O LYS A 5 -3.902 9.786 9.247 1.00 0.00 O ATOM 57 CB LYS A 5 -6.505 11.763 9.515 1.00 0.00 C ATOM 58 CG LYS A 5 -6.941 12.646 10.695 1.00 0.00 C ATOM 59 CD LYS A 5 -8.045 11.934 11.488 1.00 0.00 C ATOM 60 CE LYS A 5 -8.358 12.671 12.797 1.00 0.00 C ATOM 61 NZ LYS A 5 -9.307 11.912 13.637 1.00 0.00 N ATOM 0 H LYS A 5 -5.456 13.592 8.121 1.00 0.00 H new ATOM 0 HA LYS A 5 -4.531 11.986 10.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -7.061 12.049 8.623 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -6.756 10.724 9.727 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.089 12.852 11.343 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.303 13.607 10.329 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.948 11.869 10.880 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -7.735 10.912 11.709 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.434 12.837 13.351 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.776 13.652 12.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.495 12.441 14.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -10.197 11.775 13.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.898 10.986 13.873 1.00 0.00 H new ATOM 75 N GLY A 6 -4.559 10.508 7.236 1.00 0.00 N ATOM 76 CA GLY A 6 -3.956 9.371 6.558 1.00 0.00 C ATOM 77 C GLY A 6 -2.459 9.295 6.876 1.00 0.00 C ATOM 78 O GLY A 6 -1.999 8.268 7.370 1.00 0.00 O ATOM 0 H GLY A 6 -5.038 11.171 6.626 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -4.448 8.450 6.870 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.102 9.461 5.482 1.00 0.00 H new ATOM 82 N LYS A 7 -1.705 10.382 6.659 1.00 0.00 N ATOM 83 CA LYS A 7 -0.279 10.491 6.877 1.00 0.00 C ATOM 84 C LYS A 7 0.117 10.150 8.313 1.00 0.00 C ATOM 85 O LYS A 7 1.244 9.719 8.546 1.00 0.00 O ATOM 86 CB LYS A 7 0.165 11.891 6.401 1.00 0.00 C ATOM 87 CG LYS A 7 1.686 12.060 6.351 1.00 0.00 C ATOM 88 CD LYS A 7 2.130 13.232 5.442 1.00 0.00 C ATOM 89 CE LYS A 7 3.659 13.481 5.358 1.00 0.00 C ATOM 90 NZ LYS A 7 4.429 12.579 4.447 1.00 0.00 N ATOM 0 H LYS A 7 -2.109 11.250 6.307 1.00 0.00 H new ATOM 0 HA LYS A 7 0.258 9.747 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.247 12.077 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.255 12.644 7.068 1.00 0.00 H new ATOM 0 HG2 LYS A 7 2.062 12.227 7.360 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.138 11.136 5.991 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.755 13.048 4.435 1.00 0.00 H new ATOM 0 HD3 LYS A 7 1.652 14.144 5.798 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.821 14.510 5.037 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.076 13.391 6.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 5.380 12.421 4.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 3.934 11.668 4.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 4.509 13.020 3.508 1.00 0.00 H new ATOM 104 N LYS A 8 -0.803 10.304 9.266 1.00 0.00 N ATOM 105 CA LYS A 8 -0.548 10.007 10.663 1.00 0.00 C ATOM 106 C LYS A 8 -0.853 8.542 10.963 1.00 0.00 C ATOM 107 O LYS A 8 -0.009 7.824 11.496 1.00 0.00 O ATOM 108 CB LYS A 8 -1.388 10.964 11.526 1.00 0.00 C ATOM 109 CG LYS A 8 -1.233 10.798 13.046 1.00 0.00 C ATOM 110 CD LYS A 8 -0.052 11.572 13.656 1.00 0.00 C ATOM 111 CE LYS A 8 1.319 10.940 13.361 1.00 0.00 C ATOM 112 NZ LYS A 8 2.388 11.473 14.232 1.00 0.00 N ATOM 0 H LYS A 8 -1.748 10.640 9.083 1.00 0.00 H new ATOM 0 HA LYS A 8 0.506 10.159 10.898 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.125 11.988 11.262 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.439 10.829 11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -2.153 11.125 13.530 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -1.112 9.739 13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -0.062 12.593 13.274 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -0.189 11.635 14.736 1.00 0.00 H new ATOM 0 HE2 LYS A 8 1.253 9.860 13.492 1.00 0.00 H new ATOM 0 HE3 LYS A 8 1.581 11.119 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 3.291 11.015 13.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.472 12.500 14.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 2.154 11.279 15.227 1.00 0.00 H new ATOM 126 N ILE A 9 -2.075 8.111 10.659 1.00 0.00 N ATOM 127 CA ILE A 9 -2.611 6.824 11.035 1.00 0.00 C ATOM 128 C ILE A 9 -1.827 5.743 10.297 1.00 0.00 C ATOM 129 O ILE A 9 -1.458 4.724 10.879 1.00 0.00 O ATOM 130 CB ILE A 9 -4.104 6.807 10.677 1.00 0.00 C ATOM 131 CG1 ILE A 9 -4.919 7.795 11.531 1.00 0.00 C ATOM 132 CG2 ILE A 9 -4.641 5.398 10.906 1.00 0.00 C ATOM 133 CD1 ILE A 9 -6.320 8.031 10.951 1.00 0.00 C ATOM 0 H ILE A 9 -2.735 8.676 10.125 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.515 6.636 12.104 1.00 0.00 H new ATOM 0 HB ILE A 9 -4.205 7.108 9.634 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -5.007 7.410 12.547 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -4.387 8.745 11.594 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.702 5.368 10.656 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -4.099 4.695 10.273 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -4.507 5.123 11.952 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -6.862 8.734 11.584 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.233 8.441 9.945 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.862 7.086 10.912 1.00 0.00 H new ATOM 145 N PHE A 10 -1.549 5.987 9.014 1.00 0.00 N ATOM 146 CA PHE A 10 -0.659 5.153 8.232 1.00 0.00 C ATOM 147 C PHE A 10 0.639 4.953 9.000 1.00 0.00 C ATOM 148 O PHE A 10 0.952 3.843 9.409 1.00 0.00 O ATOM 149 CB PHE A 10 -0.402 5.843 6.880 1.00 0.00 C ATOM 150 CG PHE A 10 0.756 5.300 6.077 1.00 0.00 C ATOM 151 CD1 PHE A 10 2.051 5.780 6.315 1.00 0.00 C ATOM 152 CD2 PHE A 10 0.576 4.215 5.216 1.00 0.00 C ATOM 153 CE1 PHE A 10 3.171 5.091 5.852 1.00 0.00 C ATOM 154 CE2 PHE A 10 1.695 3.550 4.696 1.00 0.00 C ATOM 155 CZ PHE A 10 2.990 3.951 5.057 1.00 0.00 C ATOM 0 H PHE A 10 -1.940 6.773 8.495 1.00 0.00 H new ATOM 0 HA PHE A 10 -1.104 4.175 8.050 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -1.306 5.767 6.276 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.229 6.904 7.061 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.184 6.699 6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -0.420 3.890 4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 10 4.165 5.431 6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 10 1.559 2.724 4.013 1.00 0.00 H new ATOM 0 HZ PHE A 10 3.845 3.383 4.723 1.00 0.00 H new ATOM 165 N VAL A 11 1.396 6.023 9.233 1.00 0.00 N ATOM 166 CA VAL A 11 2.678 5.907 9.885 1.00 0.00 C ATOM 167 C VAL A 11 2.522 5.160 11.219 1.00 0.00 C ATOM 168 O VAL A 11 3.350 4.318 11.558 1.00 0.00 O ATOM 169 CB VAL A 11 3.322 7.302 10.010 1.00 0.00 C ATOM 170 CG1 VAL A 11 4.391 7.326 11.099 1.00 0.00 C ATOM 171 CG2 VAL A 11 3.952 7.810 8.705 1.00 0.00 C ATOM 0 H VAL A 11 1.135 6.975 8.976 1.00 0.00 H new ATOM 0 HA VAL A 11 3.365 5.307 9.288 1.00 0.00 H new ATOM 0 HB VAL A 11 2.498 7.966 10.269 1.00 0.00 H new ATOM 0 HG11 VAL A 11 4.825 8.324 11.161 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.940 7.066 12.057 1.00 0.00 H new ATOM 0 HG13 VAL A 11 5.172 6.605 10.858 1.00 0.00 H new ATOM 0 HG21 VAL A 11 4.385 8.797 8.870 1.00 0.00 H new ATOM 0 HG22 VAL A 11 4.733 7.120 8.385 1.00 0.00 H new ATOM 0 HG23 VAL A 11 3.186 7.875 7.932 1.00 0.00 H new ATOM 181 N GLN A 12 1.437 5.429 11.950 1.00 0.00 N ATOM 182 CA GLN A 12 1.133 4.744 13.196 1.00 0.00 C ATOM 183 C GLN A 12 1.061 3.214 13.040 1.00 0.00 C ATOM 184 O GLN A 12 1.441 2.514 13.977 1.00 0.00 O ATOM 185 CB GLN A 12 -0.149 5.328 13.810 1.00 0.00 C ATOM 186 CG GLN A 12 -0.236 5.073 15.320 1.00 0.00 C ATOM 187 CD GLN A 12 -1.553 5.572 15.910 1.00 0.00 C ATOM 188 OE1 GLN A 12 -2.305 6.301 15.271 1.00 0.00 O ATOM 189 NE2 GLN A 12 -1.848 5.183 17.147 1.00 0.00 N ATOM 0 H GLN A 12 0.746 6.132 11.688 1.00 0.00 H new ATOM 0 HA GLN A 12 1.960 4.920 13.884 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -0.184 6.401 13.622 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -1.018 4.890 13.319 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -0.134 4.005 15.514 1.00 0.00 H new ATOM 0 HG3 GLN A 12 0.596 5.569 15.820 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -1.206 4.577 17.658 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -2.716 5.491 17.585 1.00 0.00 H new ATOM 198 N LYS A 13 0.556 2.675 11.915 1.00 0.00 N ATOM 199 CA LYS A 13 0.351 1.232 11.777 1.00 0.00 C ATOM 200 C LYS A 13 0.550 0.670 10.356 1.00 0.00 C ATOM 201 O LYS A 13 -0.051 -0.340 9.990 1.00 0.00 O ATOM 202 CB LYS A 13 -0.970 0.819 12.451 1.00 0.00 C ATOM 203 CG LYS A 13 -2.135 1.812 12.364 1.00 0.00 C ATOM 204 CD LYS A 13 -2.720 1.889 10.954 1.00 0.00 C ATOM 205 CE LYS A 13 -3.576 0.670 10.589 1.00 0.00 C ATOM 206 NZ LYS A 13 -4.813 0.583 11.396 1.00 0.00 N ATOM 0 H LYS A 13 0.285 3.219 11.095 1.00 0.00 H new ATOM 0 HA LYS A 13 1.164 0.745 12.315 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -1.295 -0.124 12.011 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -0.767 0.626 13.504 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.916 1.516 13.065 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.792 2.801 12.668 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -3.327 2.790 10.868 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -1.907 1.983 10.234 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -3.838 0.718 9.532 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.989 -0.237 10.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.810 -0.302 11.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.860 1.392 12.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -5.640 0.598 10.766 1.00 0.00 H new ATOM 220 N CYS A 14 1.447 1.286 9.585 1.00 0.00 N ATOM 221 CA CYS A 14 1.898 0.842 8.269 1.00 0.00 C ATOM 222 C CYS A 14 3.421 1.042 8.170 1.00 0.00 C ATOM 223 O CYS A 14 4.143 0.140 7.748 1.00 0.00 O ATOM 224 CB CYS A 14 1.224 1.614 7.155 1.00 0.00 C ATOM 225 SG CYS A 14 -0.603 1.684 7.109 1.00 0.00 S ATOM 0 H CYS A 14 1.900 2.151 9.878 1.00 0.00 H new ATOM 0 HA CYS A 14 1.636 -0.210 8.157 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.592 2.639 7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 14 1.562 1.190 6.209 1.00 0.00 H new ATOM 0 HG CYS A 14 -0.982 2.526 6.194 1.00 0.00 H new ATOM 230 N ALA A 15 3.929 2.224 8.558 1.00 0.00 N ATOM 231 CA ALA A 15 5.343 2.598 8.422 1.00 0.00 C ATOM 232 C ALA A 15 6.327 1.593 8.997 1.00 0.00 C ATOM 233 O ALA A 15 7.416 1.452 8.449 1.00 0.00 O ATOM 234 CB ALA A 15 5.636 3.961 9.024 1.00 0.00 C ATOM 0 H ALA A 15 3.358 2.956 8.981 1.00 0.00 H new ATOM 0 HA ALA A 15 5.495 2.621 7.343 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.693 4.194 8.899 1.00 0.00 H new ATOM 0 HB2 ALA A 15 5.036 4.718 8.520 1.00 0.00 H new ATOM 0 HB3 ALA A 15 5.389 3.950 10.086 1.00 0.00 H new ATOM 240 N GLN A 16 5.973 0.910 10.090 1.00 0.00 N ATOM 241 CA GLN A 16 6.784 -0.157 10.641 1.00 0.00 C ATOM 242 C GLN A 16 7.305 -1.093 9.544 1.00 0.00 C ATOM 243 O GLN A 16 8.440 -1.559 9.617 1.00 0.00 O ATOM 244 CB GLN A 16 5.952 -0.946 11.656 1.00 0.00 C ATOM 245 CG GLN A 16 6.896 -1.513 12.714 1.00 0.00 C ATOM 246 CD GLN A 16 6.386 -2.823 13.300 1.00 0.00 C ATOM 247 OE1 GLN A 16 5.884 -2.863 14.417 1.00 0.00 O ATOM 248 NE2 GLN A 16 6.521 -3.910 12.546 1.00 0.00 N ATOM 0 H GLN A 16 5.114 1.088 10.611 1.00 0.00 H new ATOM 0 HA GLN A 16 7.651 0.285 11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 16 5.206 -0.300 12.120 1.00 0.00 H new ATOM 0 HB3 GLN A 16 5.411 -1.751 11.159 1.00 0.00 H new ATOM 0 HG2 GLN A 16 7.879 -1.674 12.272 1.00 0.00 H new ATOM 0 HG3 GLN A 16 7.021 -0.784 13.514 1.00 0.00 H new ATOM 0 HE21 GLN A 16 6.944 -3.839 11.620 1.00 0.00 H new ATOM 0 HE22 GLN A 16 6.202 -4.814 12.893 1.00 0.00 H new ATOM 257 N CYS A 17 6.455 -1.369 8.551 1.00 0.00 N ATOM 258 CA CYS A 17 6.792 -2.150 7.377 1.00 0.00 C ATOM 259 C CYS A 17 7.157 -1.238 6.192 1.00 0.00 C ATOM 260 O CYS A 17 8.019 -1.614 5.401 1.00 0.00 O ATOM 261 CB CYS A 17 5.651 -3.080 7.048 1.00 0.00 C ATOM 262 SG CYS A 17 5.359 -4.308 8.366 1.00 0.00 S ATOM 0 H CYS A 17 5.489 -1.042 8.550 1.00 0.00 H new ATOM 0 HA CYS A 17 7.675 -2.754 7.586 1.00 0.00 H new ATOM 0 HB2 CYS A 17 4.744 -2.497 6.890 1.00 0.00 H new ATOM 0 HB3 CYS A 17 5.865 -3.597 6.113 1.00 0.00 H new ATOM 0 HG CYS A 17 4.367 -5.078 8.030 1.00 0.00 H new ATOM 267 N HIS A 18 6.519 -0.063 6.048 1.00 0.00 N ATOM 268 CA HIS A 18 6.606 0.777 4.850 1.00 0.00 C ATOM 269 C HIS A 18 7.080 2.196 5.151 1.00 0.00 C ATOM 270 O HIS A 18 6.256 3.110 5.212 1.00 0.00 O ATOM 271 CB HIS A 18 5.209 0.898 4.238 1.00 0.00 C ATOM 272 CG HIS A 18 4.701 -0.360 3.622 1.00 0.00 C ATOM 273 ND1 HIS A 18 4.930 -0.740 2.325 1.00 0.00 N ATOM 274 CD2 HIS A 18 3.677 -1.113 4.121 1.00 0.00 C ATOM 275 CE1 HIS A 18 4.074 -1.728 2.053 1.00 0.00 C ATOM 276 NE2 HIS A 18 3.302 -2.010 3.112 1.00 0.00 N ATOM 0 H HIS A 18 5.921 0.332 6.774 1.00 0.00 H new ATOM 0 HA HIS A 18 7.325 0.303 4.182 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.512 1.217 5.013 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.223 1.681 3.480 1.00 0.00 H new ATOM 0 HD1 HIS A 18 5.622 -0.344 1.689 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.240 -1.033 5.105 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.012 -2.235 1.101 1.00 0.00 H new ATOM 284 N THR A 19 8.380 2.457 5.265 1.00 0.00 N ATOM 285 CA THR A 19 8.825 3.815 5.524 1.00 0.00 C ATOM 286 C THR A 19 8.817 4.651 4.232 1.00 0.00 C ATOM 287 O THR A 19 9.857 4.915 3.631 1.00 0.00 O ATOM 288 CB THR A 19 10.154 3.801 6.283 1.00 0.00 C ATOM 289 OG1 THR A 19 11.199 3.192 5.547 1.00 0.00 O ATOM 290 CG2 THR A 19 10.018 3.072 7.625 1.00 0.00 C ATOM 0 H THR A 19 9.123 1.763 5.184 1.00 0.00 H new ATOM 0 HA THR A 19 8.121 4.322 6.184 1.00 0.00 H new ATOM 0 HB THR A 19 10.410 4.848 6.447 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.167 3.500 4.617 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.978 3.078 8.141 1.00 0.00 H new ATOM 0 HG22 THR A 19 9.272 3.577 8.239 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.707 2.042 7.450 1.00 0.00 H new ATOM 298 N VAL A 20 7.620 5.064 3.796 1.00 0.00 N ATOM 299 CA VAL A 20 7.427 5.998 2.694 1.00 0.00 C ATOM 300 C VAL A 20 8.287 7.244 2.926 1.00 0.00 C ATOM 301 O VAL A 20 8.025 8.022 3.839 1.00 0.00 O ATOM 302 CB VAL A 20 5.933 6.326 2.456 1.00 0.00 C ATOM 303 CG1 VAL A 20 5.078 5.061 2.495 1.00 0.00 C ATOM 304 CG2 VAL A 20 5.300 7.320 3.440 1.00 0.00 C ATOM 0 H VAL A 20 6.744 4.748 4.212 1.00 0.00 H new ATOM 0 HA VAL A 20 7.760 5.526 1.769 1.00 0.00 H new ATOM 0 HB VAL A 20 5.941 6.797 1.473 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.034 5.322 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.411 4.373 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.178 4.584 3.470 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.253 7.475 3.178 1.00 0.00 H new ATOM 0 HG22 VAL A 20 5.366 6.921 4.452 1.00 0.00 H new ATOM 0 HG23 VAL A 20 5.831 8.271 3.389 1.00 0.00 H new ATOM 426 N THR A 28 10.222 -5.561 4.899 1.00 0.00 N ATOM 427 CA THR A 28 8.952 -6.226 5.159 1.00 0.00 C ATOM 428 C THR A 28 7.786 -5.449 4.545 1.00 0.00 C ATOM 429 O THR A 28 6.644 -5.786 4.815 1.00 0.00 O ATOM 430 CB THR A 28 8.777 -6.449 6.674 1.00 0.00 C ATOM 431 OG1 THR A 28 10.034 -6.718 7.270 1.00 0.00 O ATOM 432 CG2 THR A 28 7.867 -7.647 6.981 1.00 0.00 C ATOM 0 HA THR A 28 8.957 -7.204 4.678 1.00 0.00 H new ATOM 0 HB THR A 28 8.328 -5.540 7.073 1.00 0.00 H new ATOM 0 HG1 THR A 28 10.746 -6.318 6.727 1.00 0.00 H new ATOM 0 HG21 THR A 28 7.773 -7.765 8.060 1.00 0.00 H new ATOM 0 HG22 THR A 28 6.882 -7.476 6.548 1.00 0.00 H new ATOM 0 HG23 THR A 28 8.299 -8.551 6.553 1.00 0.00 H new ATOM 440 N GLY A 29 8.042 -4.451 3.697 1.00 0.00 N ATOM 441 CA GLY A 29 6.997 -3.701 3.011 1.00 0.00 C ATOM 442 C GLY A 29 7.674 -2.742 2.037 1.00 0.00 C ATOM 443 O GLY A 29 8.494 -1.945 2.474 1.00 0.00 O ATOM 0 H GLY A 29 8.987 -4.141 3.468 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.328 -4.377 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 29 6.388 -3.150 3.728 1.00 0.00 H new ATOM 447 N PRO A 30 7.430 -2.817 0.719 1.00 0.00 N ATOM 448 CA PRO A 30 8.084 -1.913 -0.210 1.00 0.00 C ATOM 449 C PRO A 30 7.674 -0.473 0.110 1.00 0.00 C ATOM 450 O PRO A 30 6.483 -0.175 0.142 1.00 0.00 O ATOM 451 CB PRO A 30 7.677 -2.349 -1.620 1.00 0.00 C ATOM 452 CG PRO A 30 6.656 -3.477 -1.443 1.00 0.00 C ATOM 453 CD PRO A 30 6.490 -3.700 0.057 1.00 0.00 C ATOM 0 HA PRO A 30 9.170 -1.950 -0.130 1.00 0.00 H new ATOM 0 HB2 PRO A 30 7.244 -1.516 -2.175 1.00 0.00 H new ATOM 0 HB3 PRO A 30 8.543 -2.693 -2.186 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.703 -3.210 -1.900 1.00 0.00 H new ATOM 0 HG3 PRO A 30 7.000 -4.388 -1.932 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.469 -3.482 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.688 -4.740 0.317 1.00 0.00 H new ATOM 461 N ASN A 31 8.626 0.424 0.393 1.00 0.00 N ATOM 462 CA ASN A 31 8.303 1.827 0.631 1.00 0.00 C ATOM 463 C ASN A 31 7.496 2.395 -0.544 1.00 0.00 C ATOM 464 O ASN A 31 7.927 2.329 -1.695 1.00 0.00 O ATOM 465 CB ASN A 31 9.562 2.653 0.932 1.00 0.00 C ATOM 466 CG ASN A 31 10.513 2.783 -0.254 1.00 0.00 C ATOM 467 OD1 ASN A 31 11.344 1.911 -0.481 1.00 0.00 O ATOM 468 ND2 ASN A 31 10.437 3.885 -1.000 1.00 0.00 N ATOM 0 H ASN A 31 9.619 0.201 0.461 1.00 0.00 H new ATOM 0 HA ASN A 31 7.677 1.892 1.521 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.262 3.650 1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 31 10.095 2.194 1.765 1.00 0.00 H new ATOM 0 HD21 ASN A 31 11.080 4.018 -1.781 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.736 4.596 -0.790 1.00 0.00 H new ATOM 475 N LEU A 32 6.311 2.931 -0.244 1.00 0.00 N ATOM 476 CA LEU A 32 5.273 3.284 -1.209 1.00 0.00 C ATOM 477 C LEU A 32 5.619 4.581 -1.957 1.00 0.00 C ATOM 478 O LEU A 32 4.885 5.564 -1.887 1.00 0.00 O ATOM 479 CB LEU A 32 3.907 3.403 -0.497 1.00 0.00 C ATOM 480 CG LEU A 32 3.545 2.260 0.471 1.00 0.00 C ATOM 481 CD1 LEU A 32 2.195 2.534 1.135 1.00 0.00 C ATOM 482 CD2 LEU A 32 3.391 0.945 -0.285 1.00 0.00 C ATOM 0 H LEU A 32 6.040 3.138 0.717 1.00 0.00 H new ATOM 0 HA LEU A 32 5.212 2.489 -1.952 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.890 4.341 0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.128 3.468 -1.257 1.00 0.00 H new ATOM 0 HG LEU A 32 4.345 2.198 1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.952 1.718 1.816 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.247 3.469 1.693 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.422 2.610 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.135 0.150 0.416 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.599 1.043 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.328 0.701 -0.785 1.00 0.00 H new ATOM 494 N HIS A 33 6.745 4.593 -2.674 1.00 0.00 N ATOM 495 CA HIS A 33 7.250 5.764 -3.378 1.00 0.00 C ATOM 496 C HIS A 33 6.255 6.263 -4.429 1.00 0.00 C ATOM 497 O HIS A 33 5.997 7.461 -4.506 1.00 0.00 O ATOM 498 CB HIS A 33 8.599 5.420 -4.025 1.00 0.00 C ATOM 499 CG HIS A 33 9.120 6.464 -4.985 1.00 0.00 C ATOM 500 ND1 HIS A 33 8.803 7.807 -4.997 1.00 0.00 N ATOM 501 CD2 HIS A 33 9.873 6.212 -6.100 1.00 0.00 C ATOM 502 CE1 HIS A 33 9.365 8.346 -6.092 1.00 0.00 C ATOM 503 NE2 HIS A 33 10.022 7.411 -6.799 1.00 0.00 N ATOM 0 H HIS A 33 7.339 3.771 -2.781 1.00 0.00 H new ATOM 0 HA HIS A 33 7.386 6.572 -2.659 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.337 5.269 -3.237 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.502 4.473 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 33 10.280 5.254 -6.388 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.298 9.388 -6.366 1.00 0.00 H new ATOM 0 HE2 HIS A 33 10.529 7.550 -7.673 1.00 0.00 H new ATOM 511 N GLY A 34 5.771 5.354 -5.276 1.00 0.00 N ATOM 512 CA GLY A 34 4.930 5.674 -6.413 1.00 0.00 C ATOM 513 C GLY A 34 3.972 4.513 -6.616 1.00 0.00 C ATOM 514 O GLY A 34 4.398 3.459 -7.082 1.00 0.00 O ATOM 0 H GLY A 34 5.961 4.356 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.380 6.598 -6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.536 5.831 -7.305 1.00 0.00 H new ATOM 518 N LEU A 35 2.710 4.697 -6.226 1.00 0.00 N ATOM 519 CA LEU A 35 1.671 3.678 -6.290 1.00 0.00 C ATOM 520 C LEU A 35 0.676 4.039 -7.382 1.00 0.00 C ATOM 521 O LEU A 35 0.458 3.257 -8.302 1.00 0.00 O ATOM 522 CB LEU A 35 0.959 3.557 -4.930 1.00 0.00 C ATOM 523 CG LEU A 35 1.513 2.430 -4.045 1.00 0.00 C ATOM 524 CD1 LEU A 35 1.060 1.056 -4.554 1.00 0.00 C ATOM 525 CD2 LEU A 35 3.040 2.482 -3.932 1.00 0.00 C ATOM 0 H LEU A 35 2.377 5.584 -5.847 1.00 0.00 H new ATOM 0 HA LEU A 35 2.124 2.715 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 35 1.048 4.504 -4.397 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.104 3.386 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 35 1.105 2.584 -3.046 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.467 0.277 -3.909 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.029 1.005 -4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.420 0.908 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.386 1.666 -3.297 1.00 0.00 H new ATOM 0 HD22 LEU A 35 3.482 2.382 -4.923 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.340 3.434 -3.495 1.00 0.00 H new ATOM 537 N PHE A 36 0.052 5.211 -7.267 1.00 0.00 N ATOM 538 CA PHE A 36 -1.097 5.560 -8.085 1.00 0.00 C ATOM 539 C PHE A 36 -0.657 5.760 -9.531 1.00 0.00 C ATOM 540 O PHE A 36 -0.159 6.831 -9.873 1.00 0.00 O ATOM 541 CB PHE A 36 -1.813 6.784 -7.508 1.00 0.00 C ATOM 542 CG PHE A 36 -2.582 6.465 -6.236 1.00 0.00 C ATOM 543 CD1 PHE A 36 -1.906 6.300 -5.011 1.00 0.00 C ATOM 544 CD2 PHE A 36 -3.939 6.104 -6.325 1.00 0.00 C ATOM 545 CE1 PHE A 36 -2.582 5.807 -3.883 1.00 0.00 C ATOM 546 CE2 PHE A 36 -4.602 5.583 -5.203 1.00 0.00 C ATOM 547 CZ PHE A 36 -3.940 5.466 -3.975 1.00 0.00 C ATOM 0 H PHE A 36 0.330 5.937 -6.607 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.820 4.744 -8.075 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.081 7.564 -7.300 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.501 7.183 -8.254 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.859 6.555 -4.939 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.471 6.228 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.057 5.691 -2.946 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.632 5.270 -5.288 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.472 5.115 -3.103 1.00 0.00 H new ATOM 557 N GLY A 37 -0.830 4.735 -10.372 1.00 0.00 N ATOM 558 CA GLY A 37 -0.349 4.761 -11.746 1.00 0.00 C ATOM 559 C GLY A 37 1.063 4.181 -11.847 1.00 0.00 C ATOM 560 O GLY A 37 1.918 4.737 -12.532 1.00 0.00 O ATOM 0 H GLY A 37 -1.306 3.870 -10.115 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.026 4.191 -12.382 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.352 5.786 -12.116 1.00 0.00 H new ATOM 564 N ARG A 38 1.300 3.045 -11.189 1.00 0.00 N ATOM 565 CA ARG A 38 2.546 2.303 -11.212 1.00 0.00 C ATOM 566 C ARG A 38 2.237 0.908 -11.754 1.00 0.00 C ATOM 567 O ARG A 38 1.765 0.048 -11.005 1.00 0.00 O ATOM 568 CB ARG A 38 3.095 2.237 -9.784 1.00 0.00 C ATOM 569 CG ARG A 38 4.451 1.537 -9.663 1.00 0.00 C ATOM 570 CD ARG A 38 5.615 2.456 -10.053 1.00 0.00 C ATOM 571 NE ARG A 38 6.873 1.915 -9.517 1.00 0.00 N ATOM 572 CZ ARG A 38 7.943 2.643 -9.162 1.00 0.00 C ATOM 573 NH1 ARG A 38 8.057 3.917 -9.555 1.00 0.00 N ATOM 574 NH2 ARG A 38 8.892 2.083 -8.406 1.00 0.00 N ATOM 0 H ARG A 38 0.592 2.604 -10.602 1.00 0.00 H new ATOM 0 HA ARG A 38 3.296 2.777 -11.845 1.00 0.00 H new ATOM 0 HB2 ARG A 38 3.187 3.251 -9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.373 1.718 -9.153 1.00 0.00 H new ATOM 0 HG2 ARG A 38 4.590 1.193 -8.638 1.00 0.00 H new ATOM 0 HG3 ARG A 38 4.459 0.653 -10.300 1.00 0.00 H new ATOM 0 HD2 ARG A 38 5.677 2.540 -11.138 1.00 0.00 H new ATOM 0 HD3 ARG A 38 5.445 3.460 -9.664 1.00 0.00 H new ATOM 0 HE ARG A 38 6.938 0.903 -9.406 1.00 0.00 H new ATOM 0 HH11 ARG A 38 7.328 4.341 -10.128 1.00 0.00 H new ATOM 0 HH12 ARG A 38 8.873 4.464 -9.281 1.00 0.00 H new ATOM 0 HH21 ARG A 38 8.798 1.113 -8.105 1.00 0.00 H new ATOM 0 HH22 ARG A 38 9.710 2.626 -8.130 1.00 0.00 H new ATOM 588 N LYS A 39 2.516 0.690 -13.047 1.00 0.00 N ATOM 589 CA LYS A 39 2.455 -0.616 -13.696 1.00 0.00 C ATOM 590 C LYS A 39 3.006 -1.674 -12.747 1.00 0.00 C ATOM 591 O LYS A 39 4.203 -1.700 -12.468 1.00 0.00 O ATOM 592 CB LYS A 39 3.273 -0.602 -14.992 1.00 0.00 C ATOM 593 CG LYS A 39 2.510 0.051 -16.149 1.00 0.00 C ATOM 594 CD LYS A 39 3.475 0.182 -17.335 1.00 0.00 C ATOM 595 CE LYS A 39 2.768 0.366 -18.686 1.00 0.00 C ATOM 596 NZ LYS A 39 1.845 1.520 -18.693 1.00 0.00 N ATOM 0 H LYS A 39 2.796 1.438 -13.681 1.00 0.00 H new ATOM 0 HA LYS A 39 1.419 -0.848 -13.941 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.206 -0.065 -14.825 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.538 -1.624 -15.264 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.646 -0.553 -16.425 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.133 1.030 -15.853 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.137 1.031 -17.162 1.00 0.00 H new ATOM 0 HD3 LYS A 39 4.103 -0.708 -17.381 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.516 0.499 -19.468 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.212 -0.540 -18.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.433 1.629 -19.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.084 1.360 -18.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.367 2.383 -18.440 1.00 0.00 H new ATOM 610 N THR A 40 2.120 -2.488 -12.183 1.00 0.00 N ATOM 611 CA THR A 40 2.460 -3.400 -11.130 1.00 0.00 C ATOM 612 C THR A 40 3.098 -4.644 -11.741 1.00 0.00 C ATOM 613 O THR A 40 3.157 -4.808 -12.957 1.00 0.00 O ATOM 614 CB THR A 40 1.143 -3.667 -10.413 1.00 0.00 C ATOM 615 OG1 THR A 40 0.523 -2.419 -10.134 1.00 0.00 O ATOM 616 CG2 THR A 40 1.309 -4.456 -9.122 1.00 0.00 C ATOM 0 H THR A 40 1.138 -2.523 -12.457 1.00 0.00 H new ATOM 0 HA THR A 40 3.193 -3.020 -10.418 1.00 0.00 H new ATOM 0 HB THR A 40 0.527 -4.280 -11.071 1.00 0.00 H new ATOM 0 HG1 THR A 40 0.482 -2.284 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.333 -4.611 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 40 1.764 -5.422 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.949 -3.901 -8.436 1.00 0.00 H new ATOM 624 N GLY A 41 3.592 -5.533 -10.885 1.00 0.00 N ATOM 625 CA GLY A 41 4.185 -6.772 -11.335 1.00 0.00 C ATOM 626 C GLY A 41 5.601 -6.568 -11.888 1.00 0.00 C ATOM 627 O GLY A 41 6.059 -7.353 -12.721 1.00 0.00 O ATOM 0 H GLY A 41 3.590 -5.411 -9.872 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.219 -7.479 -10.506 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.556 -7.215 -12.107 1.00 0.00 H new ATOM 631 N GLN A 42 6.303 -5.528 -11.416 1.00 0.00 N ATOM 632 CA GLN A 42 7.611 -5.108 -11.915 1.00 0.00 C ATOM 633 C GLN A 42 8.174 -3.946 -11.079 1.00 0.00 C ATOM 634 O GLN A 42 8.125 -2.794 -11.510 1.00 0.00 O ATOM 635 CB GLN A 42 7.518 -4.724 -13.408 1.00 0.00 C ATOM 636 CG GLN A 42 6.285 -3.855 -13.732 1.00 0.00 C ATOM 637 CD GLN A 42 6.619 -2.615 -14.555 1.00 0.00 C ATOM 638 OE1 GLN A 42 6.172 -2.461 -15.687 1.00 0.00 O ATOM 639 NE2 GLN A 42 7.407 -1.710 -13.983 1.00 0.00 N ATOM 0 H GLN A 42 5.962 -4.942 -10.654 1.00 0.00 H new ATOM 0 HA GLN A 42 8.300 -5.947 -11.819 1.00 0.00 H new ATOM 0 HB2 GLN A 42 8.421 -4.185 -13.696 1.00 0.00 H new ATOM 0 HB3 GLN A 42 7.483 -5.632 -14.010 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.557 -4.458 -14.275 1.00 0.00 H new ATOM 0 HG3 GLN A 42 5.811 -3.547 -12.800 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.763 -1.867 -13.040 1.00 0.00 H new ATOM 0 HE22 GLN A 42 7.656 -0.859 -14.487 1.00 0.00 H new ATOM 648 N ALA A 43 8.729 -4.237 -9.897 1.00 0.00 N ATOM 649 CA ALA A 43 9.476 -3.262 -9.100 1.00 0.00 C ATOM 650 C ALA A 43 10.985 -3.451 -9.304 1.00 0.00 C ATOM 651 O ALA A 43 11.446 -4.592 -9.357 1.00 0.00 O ATOM 652 CB ALA A 43 9.151 -3.417 -7.612 1.00 0.00 C ATOM 0 H ALA A 43 8.671 -5.160 -9.466 1.00 0.00 H new ATOM 0 HA ALA A 43 9.184 -2.265 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.717 -2.683 -7.038 1.00 0.00 H new ATOM 0 HB2 ALA A 43 8.084 -3.258 -7.454 1.00 0.00 H new ATOM 0 HB3 ALA A 43 9.420 -4.421 -7.283 1.00 0.00 H new ATOM 658 N PRO A 44 11.777 -2.370 -9.377 1.00 0.00 N ATOM 659 CA PRO A 44 13.225 -2.467 -9.415 1.00 0.00 C ATOM 660 C PRO A 44 13.744 -2.887 -8.036 1.00 0.00 C ATOM 661 O PRO A 44 14.019 -2.042 -7.186 1.00 0.00 O ATOM 662 CB PRO A 44 13.711 -1.076 -9.831 1.00 0.00 C ATOM 663 CG PRO A 44 12.628 -0.145 -9.286 1.00 0.00 C ATOM 664 CD PRO A 44 11.351 -0.979 -9.406 1.00 0.00 C ATOM 0 HA PRO A 44 13.590 -3.218 -10.116 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.688 -0.848 -9.406 1.00 0.00 H new ATOM 0 HB3 PRO A 44 13.807 -0.991 -10.913 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.826 0.140 -8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 44 12.562 0.777 -9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 44 10.666 -0.764 -8.586 1.00 0.00 H new ATOM 0 HD3 PRO A 44 10.822 -0.752 -10.332 1.00 0.00 H new ATOM 672 N GLY A 45 13.869 -4.197 -7.815 1.00 0.00 N ATOM 673 CA GLY A 45 14.434 -4.774 -6.607 1.00 0.00 C ATOM 674 C GLY A 45 13.420 -5.710 -5.960 1.00 0.00 C ATOM 675 O GLY A 45 13.244 -6.844 -6.403 1.00 0.00 O ATOM 0 H GLY A 45 13.571 -4.899 -8.492 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.346 -5.320 -6.846 1.00 0.00 H new ATOM 0 HA3 GLY A 45 14.710 -3.983 -5.909 1.00 0.00 H new ATOM 679 N PHE A 46 12.737 -5.243 -4.912 1.00 0.00 N ATOM 680 CA PHE A 46 11.851 -6.095 -4.132 1.00 0.00 C ATOM 681 C PHE A 46 10.479 -6.091 -4.791 1.00 0.00 C ATOM 682 O PHE A 46 9.545 -5.457 -4.304 1.00 0.00 O ATOM 683 CB PHE A 46 11.801 -5.645 -2.662 1.00 0.00 C ATOM 684 CG PHE A 46 10.811 -6.389 -1.770 1.00 0.00 C ATOM 685 CD1 PHE A 46 10.493 -7.746 -1.997 1.00 0.00 C ATOM 686 CD2 PHE A 46 10.116 -5.679 -0.772 1.00 0.00 C ATOM 687 CE1 PHE A 46 9.444 -8.356 -1.285 1.00 0.00 C ATOM 688 CE2 PHE A 46 9.100 -6.308 -0.030 1.00 0.00 C ATOM 689 CZ PHE A 46 8.744 -7.637 -0.306 1.00 0.00 C ATOM 0 H PHE A 46 12.784 -4.277 -4.588 1.00 0.00 H new ATOM 0 HA PHE A 46 12.229 -7.117 -4.117 1.00 0.00 H new ATOM 0 HB2 PHE A 46 12.798 -5.754 -2.235 1.00 0.00 H new ATOM 0 HB3 PHE A 46 11.557 -4.583 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 46 11.057 -8.317 -2.719 1.00 0.00 H new ATOM 0 HD2 PHE A 46 10.364 -4.646 -0.575 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.177 -9.382 -1.493 1.00 0.00 H new ATOM 0 HE2 PHE A 46 8.592 -5.766 0.755 1.00 0.00 H new ATOM 0 HZ PHE A 46 7.934 -8.104 0.234 1.00 0.00 H new ATOM 699 N THR A 47 10.340 -6.821 -5.898 1.00 0.00 N ATOM 700 CA THR A 47 9.052 -6.950 -6.564 1.00 0.00 C ATOM 701 C THR A 47 8.158 -7.974 -5.855 1.00 0.00 C ATOM 702 O THR A 47 7.555 -8.827 -6.496 1.00 0.00 O ATOM 703 CB THR A 47 9.238 -7.122 -8.081 1.00 0.00 C ATOM 704 OG1 THR A 47 8.063 -6.731 -8.773 1.00 0.00 O ATOM 705 CG2 THR A 47 9.696 -8.514 -8.510 1.00 0.00 C ATOM 0 H THR A 47 11.102 -7.328 -6.348 1.00 0.00 H new ATOM 0 HA THR A 47 8.485 -6.023 -6.475 1.00 0.00 H new ATOM 0 HB THR A 47 10.059 -6.459 -8.356 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.321 -6.651 -8.138 1.00 0.00 H new ATOM 0 HG21 THR A 47 9.801 -8.544 -9.595 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.656 -8.740 -8.046 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.958 -9.253 -8.196 1.00 0.00 H new ATOM 713 N TYR A 48 7.995 -7.810 -4.537 1.00 0.00 N ATOM 714 CA TYR A 48 7.025 -8.530 -3.726 1.00 0.00 C ATOM 715 C TYR A 48 7.125 -10.066 -3.880 1.00 0.00 C ATOM 716 O TYR A 48 8.108 -10.585 -4.408 1.00 0.00 O ATOM 717 CB TYR A 48 5.612 -7.955 -3.949 1.00 0.00 C ATOM 718 CG TYR A 48 5.436 -6.866 -5.000 1.00 0.00 C ATOM 719 CD1 TYR A 48 5.700 -5.531 -4.657 1.00 0.00 C ATOM 720 CD2 TYR A 48 5.106 -7.184 -6.331 1.00 0.00 C ATOM 721 CE1 TYR A 48 5.686 -4.534 -5.645 1.00 0.00 C ATOM 722 CE2 TYR A 48 5.037 -6.174 -7.309 1.00 0.00 C ATOM 723 CZ TYR A 48 5.312 -4.843 -6.959 1.00 0.00 C ATOM 724 OH TYR A 48 5.290 -3.860 -7.903 1.00 0.00 O ATOM 0 H TYR A 48 8.555 -7.151 -3.996 1.00 0.00 H new ATOM 0 HA TYR A 48 7.268 -8.366 -2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 48 4.954 -8.782 -4.213 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.259 -7.559 -2.997 1.00 0.00 H new ATOM 0 HD1 TYR A 48 5.914 -5.270 -3.631 1.00 0.00 H new ATOM 0 HD2 TYR A 48 4.904 -8.209 -6.604 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.965 -3.522 -5.390 1.00 0.00 H new ATOM 0 HE2 TYR A 48 4.773 -6.423 -8.326 1.00 0.00 H new ATOM 0 HH TYR A 48 5.010 -4.238 -8.763 1.00 0.00 H new ATOM 734 N THR A 49 6.129 -10.809 -3.391 1.00 0.00 N ATOM 735 CA THR A 49 5.920 -12.207 -3.762 1.00 0.00 C ATOM 736 C THR A 49 5.347 -12.286 -5.175 1.00 0.00 C ATOM 737 O THR A 49 4.628 -11.378 -5.586 1.00 0.00 O ATOM 738 CB THR A 49 4.919 -12.892 -2.821 1.00 0.00 C ATOM 739 OG1 THR A 49 3.661 -12.247 -2.853 1.00 0.00 O ATOM 740 CG2 THR A 49 5.426 -12.964 -1.388 1.00 0.00 C ATOM 0 H THR A 49 5.443 -10.455 -2.724 1.00 0.00 H new ATOM 0 HA THR A 49 6.886 -12.708 -3.698 1.00 0.00 H new ATOM 0 HB THR A 49 4.805 -13.913 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.002 -12.792 -2.375 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.681 -13.457 -0.763 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.357 -13.531 -1.359 1.00 0.00 H new ATOM 0 HG23 THR A 49 5.604 -11.956 -1.014 1.00 0.00 H new ATOM 748 N ASP A 50 5.570 -13.410 -5.873 1.00 0.00 N ATOM 749 CA ASP A 50 4.917 -13.748 -7.139 1.00 0.00 C ATOM 750 C ASP A 50 3.409 -13.505 -7.107 1.00 0.00 C ATOM 751 O ASP A 50 2.841 -13.068 -8.093 1.00 0.00 O ATOM 752 CB ASP A 50 5.220 -15.195 -7.522 1.00 0.00 C ATOM 753 CG ASP A 50 4.623 -15.486 -8.894 1.00 0.00 C ATOM 754 OD1 ASP A 50 5.098 -14.851 -9.861 1.00 0.00 O ATOM 755 OD2 ASP A 50 3.686 -16.310 -8.941 1.00 0.00 O ATOM 0 H ASP A 50 6.227 -14.125 -5.561 1.00 0.00 H new ATOM 0 HA ASP A 50 5.327 -13.081 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.297 -15.362 -7.538 1.00 0.00 H new ATOM 0 HB3 ASP A 50 4.803 -15.875 -6.779 1.00 0.00 H new ATOM 760 N ALA A 51 2.733 -13.721 -5.981 1.00 0.00 N ATOM 761 CA ALA A 51 1.295 -13.493 -5.918 1.00 0.00 C ATOM 762 C ALA A 51 0.913 -12.038 -6.220 1.00 0.00 C ATOM 763 O ALA A 51 -0.143 -11.784 -6.801 1.00 0.00 O ATOM 764 CB ALA A 51 0.789 -13.960 -4.555 1.00 0.00 C ATOM 0 H ALA A 51 3.153 -14.049 -5.111 1.00 0.00 H new ATOM 0 HA ALA A 51 0.808 -14.075 -6.700 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.287 -13.796 -4.491 1.00 0.00 H new ATOM 0 HB2 ALA A 51 1.003 -15.022 -4.432 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.289 -13.396 -3.768 1.00 0.00 H new ATOM 770 N ASN A 52 1.770 -11.081 -5.856 1.00 0.00 N ATOM 771 CA ASN A 52 1.601 -9.682 -6.245 1.00 0.00 C ATOM 772 C ASN A 52 2.334 -9.404 -7.565 1.00 0.00 C ATOM 773 O ASN A 52 1.870 -8.613 -8.386 1.00 0.00 O ATOM 774 CB ASN A 52 2.134 -8.775 -5.136 1.00 0.00 C ATOM 775 CG ASN A 52 1.651 -7.324 -5.188 1.00 0.00 C ATOM 776 OD1 ASN A 52 1.547 -6.683 -4.148 1.00 0.00 O ATOM 777 ND2 ASN A 52 1.342 -6.768 -6.359 1.00 0.00 N ATOM 0 H ASN A 52 2.597 -11.255 -5.285 1.00 0.00 H new ATOM 0 HA ASN A 52 0.541 -9.476 -6.393 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.850 -9.201 -4.174 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.223 -8.780 -5.178 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.016 -5.802 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 52 1.431 -7.308 -7.220 1.00 0.00 H new ATOM 784 N LYS A 53 3.495 -10.021 -7.781 1.00 0.00 N ATOM 785 CA LYS A 53 4.326 -9.814 -8.957 1.00 0.00 C ATOM 786 C LYS A 53 3.573 -10.253 -10.219 1.00 0.00 C ATOM 787 O LYS A 53 3.725 -9.677 -11.293 1.00 0.00 O ATOM 788 CB LYS A 53 5.721 -10.437 -8.757 1.00 0.00 C ATOM 789 CG LYS A 53 6.316 -11.157 -9.972 1.00 0.00 C ATOM 790 CD LYS A 53 6.768 -10.121 -11.009 1.00 0.00 C ATOM 791 CE LYS A 53 6.640 -10.678 -12.429 1.00 0.00 C ATOM 792 NZ LYS A 53 7.106 -9.706 -13.440 1.00 0.00 N ATOM 0 H LYS A 53 3.890 -10.694 -7.124 1.00 0.00 H new ATOM 0 HA LYS A 53 4.526 -8.753 -9.104 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.409 -9.648 -8.454 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.665 -11.146 -7.931 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.161 -11.773 -9.665 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.576 -11.827 -10.410 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.166 -9.218 -10.913 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.803 -9.836 -10.818 1.00 0.00 H new ATOM 0 HE2 LYS A 53 7.220 -11.597 -12.513 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.600 -10.938 -12.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.568 -9.836 -14.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.961 -8.739 -13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 8.118 -9.858 -13.627 1.00 0.00 H new ATOM 806 N ASN A 54 2.726 -11.265 -10.074 1.00 0.00 N ATOM 807 CA ASN A 54 1.894 -11.814 -11.121 1.00 0.00 C ATOM 808 C ASN A 54 0.623 -10.971 -11.312 1.00 0.00 C ATOM 809 O ASN A 54 -0.153 -11.235 -12.225 1.00 0.00 O ATOM 810 CB ASN A 54 1.544 -13.267 -10.766 1.00 0.00 C ATOM 811 CG ASN A 54 0.852 -13.997 -11.910 1.00 0.00 C ATOM 812 OD1 ASN A 54 -0.346 -14.255 -11.864 1.00 0.00 O ATOM 813 ND2 ASN A 54 1.609 -14.358 -12.944 1.00 0.00 N ATOM 0 H ASN A 54 2.600 -11.742 -9.181 1.00 0.00 H new ATOM 0 HA ASN A 54 2.438 -11.794 -12.065 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.455 -13.801 -10.497 1.00 0.00 H new ATOM 0 HB3 ASN A 54 0.897 -13.278 -9.889 1.00 0.00 H new ATOM 0 HD21 ASN A 54 1.195 -14.864 -13.727 1.00 0.00 H new ATOM 0 HD22 ASN A 54 2.603 -14.129 -12.953 1.00 0.00 H new ATOM 820 N LYS A 55 0.366 -9.979 -10.442 1.00 0.00 N ATOM 821 CA LYS A 55 -0.964 -9.373 -10.341 1.00 0.00 C ATOM 822 C LYS A 55 -1.388 -8.667 -11.633 1.00 0.00 C ATOM 823 O LYS A 55 -2.557 -8.719 -12.008 1.00 0.00 O ATOM 824 CB LYS A 55 -1.050 -8.401 -9.153 1.00 0.00 C ATOM 825 CG LYS A 55 -2.506 -8.143 -8.735 1.00 0.00 C ATOM 826 CD LYS A 55 -2.914 -9.136 -7.642 1.00 0.00 C ATOM 827 CE LYS A 55 -4.429 -9.341 -7.561 1.00 0.00 C ATOM 828 NZ LYS A 55 -4.919 -10.309 -8.563 1.00 0.00 N ATOM 0 H LYS A 55 1.059 -9.585 -9.805 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.660 -10.195 -10.172 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.495 -8.809 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.575 -7.457 -9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -2.614 -7.122 -8.370 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.165 -8.245 -9.597 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.432 -10.095 -7.831 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.548 -8.780 -6.679 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -4.693 -9.690 -6.563 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -4.931 -8.385 -7.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -5.949 -10.414 -8.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -4.692 -9.965 -9.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -4.461 -11.230 -8.409 1.00 0.00 H new ATOM 842 N GLY A 56 -0.451 -7.965 -12.276 1.00 0.00 N ATOM 843 CA GLY A 56 -0.678 -7.322 -13.565 1.00 0.00 C ATOM 844 C GLY A 56 -1.693 -6.175 -13.516 1.00 0.00 C ATOM 845 O GLY A 56 -2.418 -5.958 -14.483 1.00 0.00 O ATOM 0 H GLY A 56 0.492 -7.828 -11.911 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.271 -6.939 -13.941 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.024 -8.071 -14.278 1.00 0.00 H new ATOM 849 N ILE A 57 -1.726 -5.421 -12.412 1.00 0.00 N ATOM 850 CA ILE A 57 -2.509 -4.191 -12.293 1.00 0.00 C ATOM 851 C ILE A 57 -1.607 -2.965 -12.520 1.00 0.00 C ATOM 852 O ILE A 57 -0.558 -3.066 -13.156 1.00 0.00 O ATOM 853 CB ILE A 57 -3.264 -4.181 -10.948 1.00 0.00 C ATOM 854 CG1 ILE A 57 -2.323 -4.373 -9.752 1.00 0.00 C ATOM 855 CG2 ILE A 57 -4.355 -5.258 -10.969 1.00 0.00 C ATOM 856 CD1 ILE A 57 -2.866 -3.777 -8.453 1.00 0.00 C ATOM 0 H ILE A 57 -1.203 -5.652 -11.567 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.272 -4.146 -13.070 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.724 -3.201 -10.823 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -2.143 -5.438 -9.607 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.360 -3.915 -9.979 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -4.890 -5.253 -10.019 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.054 -5.052 -11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.898 -6.236 -11.123 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -2.152 -3.948 -7.648 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -3.020 -2.705 -8.581 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.815 -4.252 -8.203 1.00 0.00 H new ATOM 868 N THR A 58 -2.005 -1.781 -12.046 1.00 0.00 N ATOM 869 CA THR A 58 -1.235 -0.549 -12.163 1.00 0.00 C ATOM 870 C THR A 58 -1.311 0.273 -10.864 1.00 0.00 C ATOM 871 O THR A 58 -0.891 1.426 -10.850 1.00 0.00 O ATOM 872 CB THR A 58 -1.735 0.160 -13.436 1.00 0.00 C ATOM 873 OG1 THR A 58 -1.232 -0.550 -14.555 1.00 0.00 O ATOM 874 CG2 THR A 58 -1.366 1.632 -13.595 1.00 0.00 C ATOM 0 H THR A 58 -2.893 -1.654 -11.560 1.00 0.00 H new ATOM 0 HA THR A 58 -0.166 -0.726 -12.279 1.00 0.00 H new ATOM 0 HB THR A 58 -2.822 0.156 -13.357 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.816 -1.384 -14.253 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.778 2.011 -14.530 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.775 2.202 -12.761 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.281 1.736 -13.607 1.00 0.00 H new ATOM 882 N TRP A 59 -1.820 -0.327 -9.778 1.00 0.00 N ATOM 883 CA TRP A 59 -2.062 0.295 -8.487 1.00 0.00 C ATOM 884 C TRP A 59 -2.845 1.604 -8.614 1.00 0.00 C ATOM 885 O TRP A 59 -2.326 2.650 -8.991 1.00 0.00 O ATOM 886 CB TRP A 59 -0.773 0.414 -7.677 1.00 0.00 C ATOM 887 CG TRP A 59 -0.290 -0.863 -7.056 1.00 0.00 C ATOM 888 CD1 TRP A 59 0.912 -1.433 -7.287 1.00 0.00 C ATOM 889 CD2 TRP A 59 -0.962 -1.729 -6.085 1.00 0.00 C ATOM 890 NE1 TRP A 59 1.016 -2.604 -6.569 1.00 0.00 N ATOM 891 CE2 TRP A 59 -0.122 -2.851 -5.828 1.00 0.00 C ATOM 892 CE3 TRP A 59 -2.193 -1.683 -5.390 1.00 0.00 C ATOM 893 CZ2 TRP A 59 -0.505 -3.891 -4.966 1.00 0.00 C ATOM 894 CZ3 TRP A 59 -2.546 -2.682 -4.461 1.00 0.00 C ATOM 895 CH2 TRP A 59 -1.723 -3.802 -4.276 1.00 0.00 C ATOM 0 H TRP A 59 -2.085 -1.312 -9.787 1.00 0.00 H new ATOM 0 HA TRP A 59 -2.713 -0.364 -7.912 1.00 0.00 H new ATOM 0 HB2 TRP A 59 0.011 0.803 -8.327 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -0.926 1.149 -6.887 1.00 0.00 H new ATOM 0 HD1 TRP A 59 1.676 -1.032 -7.936 1.00 0.00 H new ATOM 0 HE1 TRP A 59 1.834 -3.214 -6.583 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -2.875 -0.867 -5.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 0.133 -4.753 -4.835 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -3.456 -2.584 -3.888 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -2.026 -4.593 -3.605 1.00 0.00 H new ATOM 906 N LYS A 60 -4.138 1.522 -8.307 1.00 0.00 N ATOM 907 CA LYS A 60 -5.059 2.638 -8.423 1.00 0.00 C ATOM 908 C LYS A 60 -6.059 2.622 -7.264 1.00 0.00 C ATOM 909 O LYS A 60 -6.099 1.666 -6.479 1.00 0.00 O ATOM 910 CB LYS A 60 -5.750 2.556 -9.793 1.00 0.00 C ATOM 911 CG LYS A 60 -6.249 1.130 -10.078 1.00 0.00 C ATOM 912 CD LYS A 60 -7.576 1.141 -10.828 1.00 0.00 C ATOM 913 CE LYS A 60 -7.483 1.512 -12.312 1.00 0.00 C ATOM 914 NZ LYS A 60 -8.832 1.814 -12.838 1.00 0.00 N ATOM 0 H LYS A 60 -4.576 0.666 -7.967 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.525 3.586 -8.361 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.589 3.251 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -5.054 2.864 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -5.503 0.593 -10.664 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -6.366 0.590 -9.138 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -8.031 0.154 -10.744 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -8.248 1.844 -10.335 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.831 2.376 -12.440 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.039 0.691 -12.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.889 1.523 -13.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -9.544 1.296 -12.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -9.012 2.836 -12.765 1.00 0.00 H new ATOM 928 N GLU A 61 -6.897 3.663 -7.194 1.00 0.00 N ATOM 929 CA GLU A 61 -7.876 3.929 -6.131 1.00 0.00 C ATOM 930 C GLU A 61 -9.089 2.981 -6.138 1.00 0.00 C ATOM 931 O GLU A 61 -10.193 3.370 -5.766 1.00 0.00 O ATOM 932 CB GLU A 61 -8.287 5.419 -6.161 1.00 0.00 C ATOM 933 CG GLU A 61 -8.817 5.931 -7.510 1.00 0.00 C ATOM 934 CD GLU A 61 -9.110 7.431 -7.458 1.00 0.00 C ATOM 935 OE1 GLU A 61 -8.230 8.168 -6.958 1.00 0.00 O ATOM 936 OE2 GLU A 61 -10.198 7.821 -7.928 1.00 0.00 O ATOM 0 H GLU A 61 -6.912 4.383 -7.917 1.00 0.00 H new ATOM 0 HA GLU A 61 -7.384 3.717 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.054 5.582 -5.403 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.425 6.022 -5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -8.085 5.728 -8.292 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.725 5.390 -7.776 1.00 0.00 H new ATOM 943 N GLU A 62 -8.857 1.720 -6.500 1.00 0.00 N ATOM 944 CA GLU A 62 -9.830 0.644 -6.546 1.00 0.00 C ATOM 945 C GLU A 62 -9.147 -0.600 -5.970 1.00 0.00 C ATOM 946 O GLU A 62 -9.554 -1.173 -4.963 1.00 0.00 O ATOM 947 CB GLU A 62 -10.283 0.418 -8.005 1.00 0.00 C ATOM 948 CG GLU A 62 -10.676 1.720 -8.720 1.00 0.00 C ATOM 949 CD GLU A 62 -11.235 1.454 -10.117 1.00 0.00 C ATOM 950 OE1 GLU A 62 -10.435 1.048 -10.991 1.00 0.00 O ATOM 951 OE2 GLU A 62 -12.445 1.677 -10.312 1.00 0.00 O ATOM 0 H GLU A 62 -7.928 1.410 -6.785 1.00 0.00 H new ATOM 0 HA GLU A 62 -10.721 0.879 -5.964 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.478 -0.065 -8.559 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -11.132 -0.266 -8.014 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.420 2.251 -8.126 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -9.805 2.371 -8.795 1.00 0.00 H new ATOM 958 N THR A 63 -8.019 -0.968 -6.578 1.00 0.00 N ATOM 959 CA THR A 63 -7.211 -2.093 -6.171 1.00 0.00 C ATOM 960 C THR A 63 -6.695 -1.860 -4.757 1.00 0.00 C ATOM 961 O THR A 63 -6.686 -2.779 -3.944 1.00 0.00 O ATOM 962 CB THR A 63 -6.078 -2.273 -7.191 1.00 0.00 C ATOM 963 OG1 THR A 63 -5.405 -1.043 -7.421 1.00 0.00 O ATOM 964 CG2 THR A 63 -6.664 -2.760 -8.521 1.00 0.00 C ATOM 0 H THR A 63 -7.642 -0.473 -7.386 1.00 0.00 H new ATOM 0 HA THR A 63 -7.795 -3.013 -6.151 1.00 0.00 H new ATOM 0 HB THR A 63 -5.371 -3.000 -6.792 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.575 -1.022 -6.901 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.861 -2.889 -9.247 1.00 0.00 H new ATOM 0 HG22 THR A 63 -7.171 -3.713 -8.368 1.00 0.00 H new ATOM 0 HG23 THR A 63 -7.377 -2.025 -8.895 1.00 0.00 H new ATOM 972 N LEU A 64 -6.282 -0.624 -4.455 1.00 0.00 N ATOM 973 CA LEU A 64 -5.880 -0.269 -3.107 1.00 0.00 C ATOM 974 C LEU A 64 -7.028 -0.454 -2.107 1.00 0.00 C ATOM 975 O LEU A 64 -6.800 -1.013 -1.039 1.00 0.00 O ATOM 976 CB LEU A 64 -5.319 1.158 -3.088 1.00 0.00 C ATOM 977 CG LEU A 64 -3.781 1.192 -3.206 1.00 0.00 C ATOM 978 CD1 LEU A 64 -3.325 1.790 -4.537 1.00 0.00 C ATOM 979 CD2 LEU A 64 -3.175 2.006 -2.061 1.00 0.00 C ATOM 0 H LEU A 64 -6.221 0.139 -5.130 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.088 -0.947 -2.789 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.755 1.727 -3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -5.620 1.651 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 64 -3.435 0.160 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.236 1.795 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.717 1.191 -5.359 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.696 2.811 -4.623 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -2.090 2.020 -2.159 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -3.556 3.027 -2.099 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.447 1.552 -1.108 1.00 0.00 H new ATOM 991 N MET A 65 -8.249 -0.015 -2.430 1.00 0.00 N ATOM 992 CA MET A 65 -9.412 -0.213 -1.576 1.00 0.00 C ATOM 993 C MET A 65 -9.569 -1.699 -1.251 1.00 0.00 C ATOM 994 O MET A 65 -9.563 -2.079 -0.078 1.00 0.00 O ATOM 995 CB MET A 65 -10.681 0.325 -2.257 1.00 0.00 C ATOM 996 CG MET A 65 -10.648 1.837 -2.520 1.00 0.00 C ATOM 997 SD MET A 65 -10.529 2.906 -1.064 1.00 0.00 S ATOM 998 CE MET A 65 -11.953 2.321 -0.128 1.00 0.00 C ATOM 0 H MET A 65 -8.453 0.488 -3.294 1.00 0.00 H new ATOM 0 HA MET A 65 -9.265 0.339 -0.648 1.00 0.00 H new ATOM 0 HB2 MET A 65 -10.823 -0.196 -3.204 1.00 0.00 H new ATOM 0 HB3 MET A 65 -11.544 0.093 -1.633 1.00 0.00 H new ATOM 0 HG2 MET A 65 -9.801 2.052 -3.171 1.00 0.00 H new ATOM 0 HG3 MET A 65 -11.550 2.108 -3.070 1.00 0.00 H new ATOM 0 HE1 MET A 65 -12.200 3.045 0.649 1.00 0.00 H new ATOM 0 HE2 MET A 65 -12.805 2.203 -0.798 1.00 0.00 H new ATOM 0 HE3 MET A 65 -11.717 1.361 0.332 1.00 0.00 H new ATOM 1008 N GLU A 66 -9.684 -2.532 -2.291 1.00 0.00 N ATOM 1009 CA GLU A 66 -9.903 -3.961 -2.115 1.00 0.00 C ATOM 1010 C GLU A 66 -8.795 -4.578 -1.255 1.00 0.00 C ATOM 1011 O GLU A 66 -9.052 -5.313 -0.302 1.00 0.00 O ATOM 1012 CB GLU A 66 -9.972 -4.641 -3.492 1.00 0.00 C ATOM 1013 CG GLU A 66 -11.378 -5.163 -3.806 1.00 0.00 C ATOM 1014 CD GLU A 66 -12.363 -4.024 -4.024 1.00 0.00 C ATOM 1015 OE1 GLU A 66 -12.339 -3.473 -5.146 1.00 0.00 O ATOM 1016 OE2 GLU A 66 -13.115 -3.730 -3.071 1.00 0.00 O ATOM 0 H GLU A 66 -9.628 -2.234 -3.265 1.00 0.00 H new ATOM 0 HA GLU A 66 -10.849 -4.116 -1.595 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.669 -3.932 -4.262 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.263 -5.468 -3.523 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.343 -5.790 -4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.724 -5.792 -2.986 1.00 0.00 H new ATOM 1023 N TYR A 67 -7.546 -4.283 -1.611 1.00 0.00 N ATOM 1024 CA TYR A 67 -6.374 -4.835 -0.954 1.00 0.00 C ATOM 1025 C TYR A 67 -6.376 -4.478 0.525 1.00 0.00 C ATOM 1026 O TYR A 67 -6.308 -5.358 1.373 1.00 0.00 O ATOM 1027 CB TYR A 67 -5.133 -4.288 -1.659 1.00 0.00 C ATOM 1028 CG TYR A 67 -3.816 -4.853 -1.182 1.00 0.00 C ATOM 1029 CD1 TYR A 67 -3.617 -6.243 -1.107 1.00 0.00 C ATOM 1030 CD2 TYR A 67 -2.751 -3.988 -0.890 1.00 0.00 C ATOM 1031 CE1 TYR A 67 -2.379 -6.769 -0.716 1.00 0.00 C ATOM 1032 CE2 TYR A 67 -1.510 -4.517 -0.518 1.00 0.00 C ATOM 1033 CZ TYR A 67 -1.315 -5.904 -0.436 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.102 -6.419 -0.102 1.00 0.00 O ATOM 0 H TYR A 67 -7.322 -3.645 -2.375 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.378 -5.923 -1.019 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -5.227 -4.483 -2.727 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -5.112 -3.206 -1.533 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.428 -6.913 -1.354 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -2.888 -2.919 -0.952 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.246 -7.837 -0.631 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.692 -3.849 -0.291 1.00 0.00 H new ATOM 0 HH TYR A 67 0.181 -6.054 0.762 1.00 0.00 H new ATOM 1044 N LEU A 68 -6.460 -3.191 0.847 1.00 0.00 N ATOM 1045 CA LEU A 68 -6.457 -2.744 2.233 1.00 0.00 C ATOM 1046 C LEU A 68 -7.662 -3.276 3.015 1.00 0.00 C ATOM 1047 O LEU A 68 -7.543 -3.492 4.220 1.00 0.00 O ATOM 1048 CB LEU A 68 -6.335 -1.215 2.332 1.00 0.00 C ATOM 1049 CG LEU A 68 -4.889 -0.681 2.329 1.00 0.00 C ATOM 1050 CD1 LEU A 68 -4.053 -1.283 3.463 1.00 0.00 C ATOM 1051 CD2 LEU A 68 -4.160 -0.898 1.000 1.00 0.00 C ATOM 0 H LEU A 68 -6.531 -2.438 0.163 1.00 0.00 H new ATOM 0 HA LEU A 68 -5.571 -3.169 2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.875 -0.767 1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.828 -0.884 3.246 1.00 0.00 H new ATOM 0 HG LEU A 68 -4.991 0.393 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.041 -0.879 3.423 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.506 -1.032 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.016 -2.367 3.352 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.149 -0.498 1.070 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.114 -1.965 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -4.698 -0.386 0.202 1.00 0.00 H new ATOM 1063 N GLU A 69 -8.809 -3.497 2.363 1.00 0.00 N ATOM 1064 CA GLU A 69 -9.931 -4.173 3.006 1.00 0.00 C ATOM 1065 C GLU A 69 -9.556 -5.610 3.367 1.00 0.00 C ATOM 1066 O GLU A 69 -9.813 -6.046 4.486 1.00 0.00 O ATOM 1067 CB GLU A 69 -11.187 -4.084 2.117 1.00 0.00 C ATOM 1068 CG GLU A 69 -12.512 -4.190 2.895 1.00 0.00 C ATOM 1069 CD GLU A 69 -12.935 -5.611 3.255 1.00 0.00 C ATOM 1070 OE1 GLU A 69 -12.924 -6.471 2.347 1.00 0.00 O ATOM 1071 OE2 GLU A 69 -13.313 -5.797 4.432 1.00 0.00 O ATOM 0 H GLU A 69 -8.980 -3.218 1.397 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.170 -3.670 3.943 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.170 -3.138 1.575 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.150 -4.879 1.372 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -12.425 -3.609 3.813 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -13.302 -3.731 2.301 1.00 0.00 H new ATOM 1078 N ASN A 70 -8.958 -6.352 2.430 1.00 0.00 N ATOM 1079 CA ASN A 70 -8.807 -7.793 2.581 1.00 0.00 C ATOM 1080 C ASN A 70 -7.623 -8.310 1.767 1.00 0.00 C ATOM 1081 O ASN A 70 -7.808 -8.942 0.729 1.00 0.00 O ATOM 1082 CB ASN A 70 -10.111 -8.441 2.119 1.00 0.00 C ATOM 1083 CG ASN A 70 -10.396 -9.758 2.822 1.00 0.00 C ATOM 1084 OD1 ASN A 70 -9.489 -10.519 3.156 1.00 0.00 O ATOM 1085 ND2 ASN A 70 -11.676 -10.028 3.065 1.00 0.00 N ATOM 0 H ASN A 70 -8.573 -5.975 1.564 1.00 0.00 H new ATOM 0 HA ASN A 70 -8.605 -8.044 3.622 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -10.937 -7.753 2.298 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -10.066 -8.611 1.043 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -11.933 -10.891 3.544 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -12.400 -9.372 2.773 1.00 0.00 H new ATOM 1092 N PRO A 71 -6.384 -8.073 2.205 1.00 0.00 N ATOM 1093 CA PRO A 71 -5.229 -8.238 1.343 1.00 0.00 C ATOM 1094 C PRO A 71 -5.025 -9.705 0.989 1.00 0.00 C ATOM 1095 O PRO A 71 -4.749 -10.046 -0.158 1.00 0.00 O ATOM 1096 CB PRO A 71 -4.052 -7.619 2.097 1.00 0.00 C ATOM 1097 CG PRO A 71 -4.495 -7.668 3.559 1.00 0.00 C ATOM 1098 CD PRO A 71 -6.019 -7.549 3.502 1.00 0.00 C ATOM 0 HA PRO A 71 -5.350 -7.738 0.382 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -3.133 -8.183 1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -3.860 -6.597 1.770 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.187 -8.599 4.036 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.055 -6.854 4.135 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.490 -8.117 4.304 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.339 -6.513 3.614 1.00 0.00 H new ATOM 1106 N LYS A 72 -5.235 -10.574 1.977 1.00 0.00 N ATOM 1107 CA LYS A 72 -5.181 -12.016 1.836 1.00 0.00 C ATOM 1108 C LYS A 72 -6.337 -12.595 1.006 1.00 0.00 C ATOM 1109 O LYS A 72 -6.354 -13.801 0.770 1.00 0.00 O ATOM 1110 CB LYS A 72 -5.091 -12.619 3.244 1.00 0.00 C ATOM 1111 CG LYS A 72 -6.334 -12.401 4.126 1.00 0.00 C ATOM 1112 CD LYS A 72 -7.402 -13.490 3.919 1.00 0.00 C ATOM 1113 CE LYS A 72 -8.176 -13.795 5.211 1.00 0.00 C ATOM 1114 NZ LYS A 72 -7.329 -14.447 6.236 1.00 0.00 N ATOM 0 H LYS A 72 -5.454 -10.276 2.928 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.296 -12.288 1.261 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.912 -13.690 3.153 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.225 -12.193 3.751 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.034 -12.386 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.767 -11.425 3.904 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.100 -13.170 3.146 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -6.925 -14.401 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -8.582 -12.868 5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -9.024 -14.440 4.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.934 -14.931 6.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.703 -15.140 5.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.755 -13.728 6.720 1.00 0.00 H new ATOM 1128 N LYS A 73 -7.310 -11.772 0.588 1.00 0.00 N ATOM 1129 CA LYS A 73 -8.328 -12.160 -0.381 1.00 0.00 C ATOM 1130 C LYS A 73 -7.937 -11.597 -1.747 1.00 0.00 C ATOM 1131 O LYS A 73 -7.892 -12.345 -2.720 1.00 0.00 O ATOM 1132 CB LYS A 73 -9.707 -11.661 0.065 1.00 0.00 C ATOM 1133 CG LYS A 73 -10.850 -12.279 -0.752 1.00 0.00 C ATOM 1134 CD LYS A 73 -12.143 -11.488 -0.494 1.00 0.00 C ATOM 1135 CE LYS A 73 -13.379 -12.151 -1.118 1.00 0.00 C ATOM 1136 NZ LYS A 73 -13.825 -13.338 -0.360 1.00 0.00 N ATOM 0 H LYS A 73 -7.407 -10.812 0.920 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.390 -13.246 -0.451 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.851 -11.896 1.120 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.744 -10.576 -0.028 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.605 -12.261 -1.814 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.988 -13.324 -0.474 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.294 -11.387 0.581 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.034 -10.481 -0.896 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.192 -11.426 -1.164 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.153 -12.442 -2.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.662 -13.750 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.060 -14.043 -0.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.067 -13.058 0.612 1.00 0.00 H new ATOM 1150 N TYR A 74 -7.671 -10.286 -1.826 1.00 0.00 N ATOM 1151 CA TYR A 74 -7.259 -9.632 -3.060 1.00 0.00 C ATOM 1152 C TYR A 74 -6.116 -10.388 -3.748 1.00 0.00 C ATOM 1153 O TYR A 74 -6.187 -10.658 -4.947 1.00 0.00 O ATOM 1154 CB TYR A 74 -6.857 -8.193 -2.734 1.00 0.00 C ATOM 1155 CG TYR A 74 -6.472 -7.373 -3.949 1.00 0.00 C ATOM 1156 CD1 TYR A 74 -7.460 -7.028 -4.886 1.00 0.00 C ATOM 1157 CD2 TYR A 74 -5.124 -7.061 -4.208 1.00 0.00 C ATOM 1158 CE1 TYR A 74 -7.102 -6.396 -6.086 1.00 0.00 C ATOM 1159 CE2 TYR A 74 -4.763 -6.445 -5.416 1.00 0.00 C ATOM 1160 CZ TYR A 74 -5.753 -6.128 -6.357 1.00 0.00 C ATOM 1161 OH TYR A 74 -5.385 -5.764 -7.614 1.00 0.00 O ATOM 0 H TYR A 74 -7.738 -9.653 -1.029 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.092 -9.631 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.685 -7.701 -2.224 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.018 -8.209 -2.038 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.497 -7.250 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -4.366 -7.296 -3.475 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -7.863 -6.117 -6.799 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.727 -6.216 -5.620 1.00 0.00 H new ATOM 0 HH TYR A 74 -6.176 -5.741 -8.193 1.00 0.00 H new ATOM 1171 N ILE A 75 -5.064 -10.717 -2.992 1.00 0.00 N ATOM 1172 CA ILE A 75 -3.943 -11.533 -3.450 1.00 0.00 C ATOM 1173 C ILE A 75 -4.018 -12.905 -2.769 1.00 0.00 C ATOM 1174 O ILE A 75 -4.088 -12.968 -1.540 1.00 0.00 O ATOM 1175 CB ILE A 75 -2.609 -10.816 -3.158 1.00 0.00 C ATOM 1176 CG1 ILE A 75 -2.420 -9.702 -4.197 1.00 0.00 C ATOM 1177 CG2 ILE A 75 -1.424 -11.783 -3.291 1.00 0.00 C ATOM 1178 CD1 ILE A 75 -1.370 -8.663 -3.796 1.00 0.00 C ATOM 0 H ILE A 75 -4.969 -10.415 -2.022 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.998 -11.680 -4.529 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.641 -10.423 -2.142 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -2.132 -10.149 -5.149 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -3.374 -9.200 -4.357 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.496 -11.252 -3.080 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.542 -12.603 -2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -1.392 -12.182 -4.305 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.290 -7.907 -4.577 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.666 -8.189 -2.860 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.405 -9.153 -3.665 1.00 0.00 H new ATOM 1190 N PRO A 76 -3.960 -14.012 -3.530 1.00 0.00 N ATOM 1191 CA PRO A 76 -3.951 -15.353 -2.969 1.00 0.00 C ATOM 1192 C PRO A 76 -2.582 -15.658 -2.346 1.00 0.00 C ATOM 1193 O PRO A 76 -1.797 -16.423 -2.902 1.00 0.00 O ATOM 1194 CB PRO A 76 -4.290 -16.277 -4.145 1.00 0.00 C ATOM 1195 CG PRO A 76 -3.691 -15.541 -5.342 1.00 0.00 C ATOM 1196 CD PRO A 76 -3.923 -14.072 -4.986 1.00 0.00 C ATOM 0 HA PRO A 76 -4.670 -15.484 -2.161 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.852 -17.267 -4.020 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -5.366 -16.415 -4.253 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.631 -15.765 -5.466 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.186 -15.814 -6.274 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.125 -13.444 -5.382 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.857 -13.709 -5.415 1.00 0.00 H new ATOM 1204 N GLY A 77 -2.306 -15.070 -1.179 1.00 0.00 N ATOM 1205 CA GLY A 77 -1.111 -15.365 -0.397 1.00 0.00 C ATOM 1206 C GLY A 77 -0.004 -14.348 -0.659 1.00 0.00 C ATOM 1207 O GLY A 77 0.939 -14.616 -1.400 1.00 0.00 O ATOM 0 H GLY A 77 -2.913 -14.371 -0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.361 -15.367 0.664 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.753 -16.365 -0.642 1.00 0.00 H new ATOM 1211 N THR A 78 -0.117 -13.182 -0.021 1.00 0.00 N ATOM 1212 CA THR A 78 0.908 -12.151 0.007 1.00 0.00 C ATOM 1213 C THR A 78 1.773 -12.334 1.262 1.00 0.00 C ATOM 1214 O THR A 78 1.359 -12.996 2.212 1.00 0.00 O ATOM 1215 CB THR A 78 0.231 -10.767 -0.034 1.00 0.00 C ATOM 1216 OG1 THR A 78 1.169 -9.750 0.219 1.00 0.00 O ATOM 1217 CG2 THR A 78 -0.913 -10.604 0.973 1.00 0.00 C ATOM 0 H THR A 78 -0.953 -12.926 0.505 1.00 0.00 H new ATOM 0 HA THR A 78 1.562 -12.229 -0.862 1.00 0.00 H new ATOM 0 HB THR A 78 -0.187 -10.687 -1.037 1.00 0.00 H new ATOM 0 HG1 THR A 78 0.723 -8.878 0.187 1.00 0.00 H new ATOM 0 HG21 THR A 78 -1.338 -9.604 0.882 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.685 -11.346 0.770 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.531 -10.746 1.984 1.00 0.00 H new ATOM 1225 N LYS A 79 2.960 -11.718 1.282 1.00 0.00 N ATOM 1226 CA LYS A 79 3.726 -11.530 2.511 1.00 0.00 C ATOM 1227 C LYS A 79 3.065 -10.496 3.430 1.00 0.00 C ATOM 1228 O LYS A 79 3.407 -10.454 4.609 1.00 0.00 O ATOM 1229 CB LYS A 79 5.159 -11.077 2.191 1.00 0.00 C ATOM 1230 CG LYS A 79 6.118 -12.228 1.874 1.00 0.00 C ATOM 1231 CD LYS A 79 7.412 -11.688 1.232 1.00 0.00 C ATOM 1232 CE LYS A 79 8.392 -11.070 2.244 1.00 0.00 C ATOM 1233 NZ LYS A 79 9.154 -12.098 2.984 1.00 0.00 N ATOM 0 H LYS A 79 3.412 -11.339 0.450 1.00 0.00 H new ATOM 0 HA LYS A 79 3.752 -12.490 3.026 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.133 -10.395 1.341 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.550 -10.515 3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 79 6.357 -12.772 2.787 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.637 -12.935 1.198 1.00 0.00 H new ATOM 0 HD2 LYS A 79 7.912 -12.500 0.705 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.151 -10.937 0.486 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.086 -10.413 1.720 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.839 -10.451 2.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.801 -11.635 3.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.495 -12.710 3.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 9.703 -12.673 2.313 1.00 0.00 H new ATOM 1247 N MET A 80 2.188 -9.620 2.924 1.00 0.00 N ATOM 1248 CA MET A 80 1.583 -8.587 3.752 1.00 0.00 C ATOM 1249 C MET A 80 0.684 -9.215 4.817 1.00 0.00 C ATOM 1250 O MET A 80 -0.055 -10.161 4.549 1.00 0.00 O ATOM 1251 CB MET A 80 0.816 -7.609 2.869 1.00 0.00 C ATOM 1252 CG MET A 80 0.179 -6.424 3.602 1.00 0.00 C ATOM 1253 SD MET A 80 0.161 -4.896 2.627 1.00 0.00 S ATOM 1254 CE MET A 80 -1.524 -4.271 2.839 1.00 0.00 C ATOM 0 H MET A 80 1.887 -9.611 1.949 1.00 0.00 H new ATOM 0 HA MET A 80 2.364 -8.033 4.274 1.00 0.00 H new ATOM 0 HB2 MET A 80 1.495 -7.222 2.109 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.031 -8.156 2.346 1.00 0.00 H new ATOM 0 HG2 MET A 80 -0.844 -6.683 3.875 1.00 0.00 H new ATOM 0 HG3 MET A 80 0.722 -6.247 4.530 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.640 -3.340 2.283 1.00 0.00 H new ATOM 0 HE2 MET A 80 -2.235 -5.008 2.465 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.714 -4.088 3.897 1.00 0.00 H new ATOM 1264 N ILE A 81 0.761 -8.672 6.030 1.00 0.00 N ATOM 1265 CA ILE A 81 0.129 -9.200 7.225 1.00 0.00 C ATOM 1266 C ILE A 81 -0.815 -8.122 7.743 1.00 0.00 C ATOM 1267 O ILE A 81 -0.415 -7.244 8.506 1.00 0.00 O ATOM 1268 CB ILE A 81 1.199 -9.554 8.271 1.00 0.00 C ATOM 1269 CG1 ILE A 81 2.312 -10.472 7.740 1.00 0.00 C ATOM 1270 CG2 ILE A 81 0.560 -10.156 9.532 1.00 0.00 C ATOM 1271 CD1 ILE A 81 1.826 -11.831 7.224 1.00 0.00 C ATOM 0 H ILE A 81 1.288 -7.817 6.209 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.427 -10.113 7.011 1.00 0.00 H new ATOM 0 HB ILE A 81 1.681 -8.610 8.526 1.00 0.00 H new ATOM 0 HG12 ILE A 81 2.835 -9.958 6.934 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.038 -10.639 8.536 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.339 -10.397 10.255 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -0.131 -9.435 9.970 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.017 -11.063 9.267 1.00 0.00 H new ATOM 0 HD11 ILE A 81 2.678 -12.411 6.870 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.330 -12.370 8.031 1.00 0.00 H new ATOM 0 HD13 ILE A 81 1.124 -11.679 6.404 1.00 0.00 H new ATOM 1283 N PHE A 82 -2.069 -8.163 7.302 1.00 0.00 N ATOM 1284 CA PHE A 82 -3.083 -7.225 7.738 1.00 0.00 C ATOM 1285 C PHE A 82 -4.442 -7.883 7.511 1.00 0.00 C ATOM 1286 O PHE A 82 -4.603 -8.603 6.526 1.00 0.00 O ATOM 1287 CB PHE A 82 -2.902 -5.914 6.965 1.00 0.00 C ATOM 1288 CG PHE A 82 -3.560 -4.710 7.590 1.00 0.00 C ATOM 1289 CD1 PHE A 82 -3.040 -4.188 8.789 1.00 0.00 C ATOM 1290 CD2 PHE A 82 -4.536 -3.992 6.878 1.00 0.00 C ATOM 1291 CE1 PHE A 82 -3.488 -2.947 9.271 1.00 0.00 C ATOM 1292 CE2 PHE A 82 -4.951 -2.736 7.341 1.00 0.00 C ATOM 1293 CZ PHE A 82 -4.431 -2.211 8.537 1.00 0.00 C ATOM 0 H PHE A 82 -2.406 -8.853 6.630 1.00 0.00 H new ATOM 0 HA PHE A 82 -3.003 -6.977 8.797 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -1.835 -5.714 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -3.300 -6.045 5.959 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -2.295 -4.743 9.340 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.965 -4.407 5.978 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.107 -2.560 10.205 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -5.675 -2.168 6.775 1.00 0.00 H new ATOM 0 HZ PHE A 82 -4.756 -1.244 8.890 1.00 0.00 H new ATOM 1303 N ALA A 83 -5.377 -7.712 8.450 1.00 0.00 N ATOM 1304 CA ALA A 83 -6.668 -8.394 8.441 1.00 0.00 C ATOM 1305 C ALA A 83 -7.795 -7.367 8.470 1.00 0.00 C ATOM 1306 O ALA A 83 -8.509 -7.207 7.487 1.00 0.00 O ATOM 1307 CB ALA A 83 -6.753 -9.370 9.622 1.00 0.00 C ATOM 0 H ALA A 83 -5.254 -7.087 9.247 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.771 -8.975 7.525 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -7.719 -9.875 9.608 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.956 -10.109 9.541 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -6.644 -8.820 10.557 1.00 0.00 H new ATOM 1313 N GLY A 84 -7.948 -6.674 9.601 1.00 0.00 N ATOM 1314 CA GLY A 84 -8.875 -5.563 9.752 1.00 0.00 C ATOM 1315 C GLY A 84 -8.103 -4.249 9.683 1.00 0.00 C ATOM 1316 O GLY A 84 -6.880 -4.245 9.809 1.00 0.00 O ATOM 0 H GLY A 84 -7.419 -6.877 10.449 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.631 -5.596 8.967 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.401 -5.640 10.704 1.00 0.00 H new ATOM 1320 N ILE A 85 -8.826 -3.142 9.489 1.00 0.00 N ATOM 1321 CA ILE A 85 -8.256 -1.823 9.249 1.00 0.00 C ATOM 1322 C ILE A 85 -8.766 -0.837 10.316 1.00 0.00 C ATOM 1323 O ILE A 85 -8.092 -0.665 11.328 1.00 0.00 O ATOM 1324 CB ILE A 85 -8.434 -1.462 7.755 1.00 0.00 C ATOM 1325 CG1 ILE A 85 -8.049 -0.012 7.443 1.00 0.00 C ATOM 1326 CG2 ILE A 85 -9.799 -1.790 7.129 1.00 0.00 C ATOM 1327 CD1 ILE A 85 -7.245 0.141 6.150 1.00 0.00 C ATOM 0 H ILE A 85 -9.846 -3.143 9.496 1.00 0.00 H new ATOM 0 HA ILE A 85 -7.176 -1.782 9.388 1.00 0.00 H new ATOM 0 HB ILE A 85 -7.727 -2.139 7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.956 0.589 7.371 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.467 0.388 8.273 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -9.800 -1.491 6.081 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.984 -2.862 7.200 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -10.582 -1.250 7.661 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.007 1.193 5.992 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.321 -0.433 6.226 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.833 -0.228 5.310 1.00 0.00 H new ATOM 1339 N LYS A 86 -9.958 -0.257 10.126 1.00 0.00 N ATOM 1340 CA LYS A 86 -10.781 0.476 11.095 1.00 0.00 C ATOM 1341 C LYS A 86 -12.141 0.704 10.432 1.00 0.00 C ATOM 1342 O LYS A 86 -12.441 1.815 9.996 1.00 0.00 O ATOM 1343 CB LYS A 86 -10.202 1.841 11.523 1.00 0.00 C ATOM 1344 CG LYS A 86 -9.220 1.798 12.693 1.00 0.00 C ATOM 1345 CD LYS A 86 -8.989 3.205 13.274 1.00 0.00 C ATOM 1346 CE LYS A 86 -9.901 3.544 14.462 1.00 0.00 C ATOM 1347 NZ LYS A 86 -9.468 2.872 15.705 1.00 0.00 N ATOM 0 H LYS A 86 -10.409 -0.292 9.212 1.00 0.00 H new ATOM 0 HA LYS A 86 -10.834 -0.120 12.006 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -9.700 2.289 10.665 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -11.029 2.500 11.788 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -9.605 1.139 13.471 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.271 1.378 12.360 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -7.949 3.291 13.590 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -9.145 3.943 12.487 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.908 4.623 14.617 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.924 3.249 14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -10.111 3.129 16.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.486 1.841 15.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.501 3.172 15.943 1.00 0.00 H new ATOM 1361 N LYS A 87 -12.949 -0.357 10.334 1.00 0.00 N ATOM 1362 CA LYS A 87 -14.300 -0.341 9.781 1.00 0.00 C ATOM 1363 C LYS A 87 -14.292 0.004 8.283 1.00 0.00 C ATOM 1364 O LYS A 87 -14.467 -0.872 7.432 1.00 0.00 O ATOM 1365 CB LYS A 87 -15.212 0.590 10.614 1.00 0.00 C ATOM 1366 CG LYS A 87 -16.696 0.212 10.493 1.00 0.00 C ATOM 1367 CD LYS A 87 -17.028 -0.922 11.477 1.00 0.00 C ATOM 1368 CE LYS A 87 -18.385 -1.571 11.167 1.00 0.00 C ATOM 1369 NZ LYS A 87 -18.552 -2.856 11.880 1.00 0.00 N ATOM 0 H LYS A 87 -12.665 -1.284 10.651 1.00 0.00 H new ATOM 0 HA LYS A 87 -14.720 -1.345 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -14.912 0.547 11.661 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -15.074 1.620 10.285 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.320 1.081 10.702 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -16.918 -0.103 9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.245 -1.680 11.435 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -17.037 -0.529 12.494 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -19.187 -0.890 11.451 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.473 -1.736 10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -19.479 -3.265 11.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -17.801 -3.514 11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.494 -2.694 12.906 1.00 0.00 H new ATOM 1383 N LYS A 88 -14.077 1.281 7.972 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.970 1.837 6.635 1.00 0.00 C ATOM 1385 C LYS A 88 -13.195 3.157 6.655 1.00 0.00 C ATOM 1386 O LYS A 88 -12.423 3.406 5.738 1.00 0.00 O ATOM 1387 CB LYS A 88 -15.349 1.937 5.966 1.00 0.00 C ATOM 1388 CG LYS A 88 -16.278 2.999 6.567 1.00 0.00 C ATOM 1389 CD LYS A 88 -17.704 2.766 6.046 1.00 0.00 C ATOM 1390 CE LYS A 88 -18.574 4.018 6.224 1.00 0.00 C ATOM 1391 NZ LYS A 88 -19.974 3.785 5.805 1.00 0.00 N ATOM 0 H LYS A 88 -13.967 1.993 8.694 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.389 1.157 6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.209 2.154 4.907 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -15.840 0.966 6.030 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.261 2.942 7.655 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.936 3.997 6.294 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -17.668 2.492 4.992 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -18.155 1.928 6.578 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -18.555 4.327 7.269 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.153 4.838 5.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -20.527 4.655 5.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.996 3.515 4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -20.385 3.020 6.378 1.00 0.00 H new ATOM 1405 N THR A 89 -13.352 3.973 7.704 1.00 0.00 N ATOM 1406 CA THR A 89 -12.655 5.235 7.909 1.00 0.00 C ATOM 1407 C THR A 89 -11.182 5.187 7.485 1.00 0.00 C ATOM 1408 O THR A 89 -10.751 6.003 6.672 1.00 0.00 O ATOM 1409 CB THR A 89 -12.824 5.624 9.382 1.00 0.00 C ATOM 1410 OG1 THR A 89 -14.151 5.309 9.772 1.00 0.00 O ATOM 1411 CG2 THR A 89 -12.552 7.114 9.602 1.00 0.00 C ATOM 0 H THR A 89 -13.998 3.756 8.463 1.00 0.00 H new ATOM 0 HA THR A 89 -13.095 5.997 7.266 1.00 0.00 H new ATOM 0 HB THR A 89 -12.104 5.071 9.985 1.00 0.00 H new ATOM 0 HG1 THR A 89 -14.281 5.549 10.713 1.00 0.00 H new ATOM 0 HG21 THR A 89 -12.681 7.355 10.657 1.00 0.00 H new ATOM 0 HG22 THR A 89 -11.531 7.346 9.299 1.00 0.00 H new ATOM 0 HG23 THR A 89 -13.250 7.703 9.007 1.00 0.00 H new ATOM 1419 N GLU A 90 -10.407 4.215 7.983 1.00 0.00 N ATOM 1420 CA GLU A 90 -9.018 4.120 7.561 1.00 0.00 C ATOM 1421 C GLU A 90 -8.850 3.837 6.065 1.00 0.00 C ATOM 1422 O GLU A 90 -7.902 4.333 5.467 1.00 0.00 O ATOM 1423 CB GLU A 90 -8.257 3.093 8.386 1.00 0.00 C ATOM 1424 CG GLU A 90 -7.597 3.737 9.605 1.00 0.00 C ATOM 1425 CD GLU A 90 -6.626 2.768 10.258 1.00 0.00 C ATOM 1426 OE1 GLU A 90 -6.035 1.944 9.536 1.00 0.00 O ATOM 1427 OE2 GLU A 90 -6.431 2.788 11.492 1.00 0.00 O ATOM 0 H GLU A 90 -10.710 3.510 8.655 1.00 0.00 H new ATOM 0 HA GLU A 90 -8.590 5.106 7.740 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -8.939 2.308 8.712 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -7.496 2.618 7.767 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -7.070 4.642 9.305 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -8.360 4.036 10.324 1.00 0.00 H new ATOM 1434 N ARG A 91 -9.754 3.087 5.429 1.00 0.00 N ATOM 1435 CA ARG A 91 -9.696 2.912 3.979 1.00 0.00 C ATOM 1436 C ARG A 91 -9.954 4.229 3.241 1.00 0.00 C ATOM 1437 O ARG A 91 -9.782 4.279 2.029 1.00 0.00 O ATOM 1438 CB ARG A 91 -10.672 1.832 3.492 1.00 0.00 C ATOM 1439 CG ARG A 91 -10.372 0.473 4.128 1.00 0.00 C ATOM 1440 CD ARG A 91 -11.005 -0.678 3.334 1.00 0.00 C ATOM 1441 NE ARG A 91 -12.477 -0.650 3.335 1.00 0.00 N ATOM 1442 CZ ARG A 91 -13.262 -1.022 4.359 1.00 0.00 C ATOM 1443 NH1 ARG A 91 -12.724 -1.462 5.498 1.00 0.00 N ATOM 1444 NH2 ARG A 91 -14.591 -0.932 4.268 1.00 0.00 N ATOM 0 H ARG A 91 -10.523 2.599 5.888 1.00 0.00 H new ATOM 0 HA ARG A 91 -8.684 2.581 3.748 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -11.693 2.129 3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -10.611 1.748 2.407 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -9.293 0.327 4.183 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -10.748 0.459 5.151 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -10.649 -0.638 2.305 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -10.667 -1.626 3.752 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.939 -0.321 2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -11.710 -1.517 5.595 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -13.327 -1.743 6.272 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -15.021 -0.577 3.414 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -15.176 -1.218 5.053 1.00 0.00 H new ATOM 1458 N GLU A 92 -10.367 5.282 3.953 1.00 0.00 N ATOM 1459 CA GLU A 92 -10.692 6.577 3.404 1.00 0.00 C ATOM 1460 C GLU A 92 -9.607 7.599 3.767 1.00 0.00 C ATOM 1461 O GLU A 92 -9.433 8.595 3.065 1.00 0.00 O ATOM 1462 CB GLU A 92 -12.069 6.970 3.965 1.00 0.00 C ATOM 1463 CG GLU A 92 -12.841 7.769 2.917 1.00 0.00 C ATOM 1464 CD GLU A 92 -13.514 6.849 1.906 1.00 0.00 C ATOM 1465 OE1 GLU A 92 -14.419 6.106 2.343 1.00 0.00 O ATOM 1466 OE2 GLU A 92 -13.109 6.917 0.728 1.00 0.00 O ATOM 0 H GLU A 92 -10.485 5.241 4.965 1.00 0.00 H new ATOM 0 HA GLU A 92 -10.733 6.550 2.315 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -12.629 6.076 4.241 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -11.948 7.562 4.872 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -13.594 8.386 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -12.162 8.447 2.400 1.00 0.00 H new ATOM 1473 N ASP A 93 -8.951 7.418 4.912 1.00 0.00 N ATOM 1474 CA ASP A 93 -7.810 8.211 5.377 1.00 0.00 C ATOM 1475 C ASP A 93 -6.541 7.758 4.659 1.00 0.00 C ATOM 1476 O ASP A 93 -5.881 8.535 3.976 1.00 0.00 O ATOM 1477 CB ASP A 93 -7.621 8.061 6.898 1.00 0.00 C ATOM 1478 CG ASP A 93 -8.571 8.898 7.740 1.00 0.00 C ATOM 1479 OD1 ASP A 93 -8.615 10.123 7.493 1.00 0.00 O ATOM 1480 OD2 ASP A 93 -9.230 8.311 8.624 1.00 0.00 O ATOM 0 H ASP A 93 -9.210 6.683 5.571 1.00 0.00 H new ATOM 0 HA ASP A 93 -8.006 9.259 5.153 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -7.748 7.012 7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -6.596 8.332 7.152 1.00 0.00 H new ATOM 1485 N LEU A 94 -6.181 6.486 4.811 1.00 0.00 N ATOM 1486 CA LEU A 94 -4.948 5.919 4.274 1.00 0.00 C ATOM 1487 C LEU A 94 -4.886 6.148 2.765 1.00 0.00 C ATOM 1488 O LEU A 94 -3.884 6.618 2.227 1.00 0.00 O ATOM 1489 CB LEU A 94 -4.885 4.414 4.582 1.00 0.00 C ATOM 1490 CG LEU A 94 -4.761 4.021 6.072 1.00 0.00 C ATOM 1491 CD1 LEU A 94 -3.435 3.307 6.301 1.00 0.00 C ATOM 1492 CD2 LEU A 94 -4.813 5.152 7.095 1.00 0.00 C ATOM 0 H LEU A 94 -6.749 5.809 5.320 1.00 0.00 H new ATOM 0 HA LEU A 94 -4.096 6.411 4.743 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.783 3.945 4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.036 3.991 4.045 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.645 3.405 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -3.348 3.030 7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.394 2.409 5.684 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -2.613 3.970 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.715 4.739 8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.996 5.849 6.908 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.765 5.676 7.010 1.00 0.00 H new ATOM 1504 N ILE A 95 -5.994 5.854 2.086 1.00 0.00 N ATOM 1505 CA ILE A 95 -6.082 5.932 0.638 1.00 0.00 C ATOM 1506 C ILE A 95 -6.208 7.395 0.193 1.00 0.00 C ATOM 1507 O ILE A 95 -6.154 7.672 -1.001 1.00 0.00 O ATOM 1508 CB ILE A 95 -7.232 5.028 0.145 1.00 0.00 C ATOM 1509 CG1 ILE A 95 -7.138 3.604 0.734 1.00 0.00 C ATOM 1510 CG2 ILE A 95 -7.302 4.942 -1.390 1.00 0.00 C ATOM 1511 CD1 ILE A 95 -5.798 2.910 0.482 1.00 0.00 C ATOM 0 H ILE A 95 -6.860 5.553 2.534 1.00 0.00 H new ATOM 0 HA ILE A 95 -5.168 5.558 0.176 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.147 5.500 0.502 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -7.312 3.655 1.809 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -7.936 2.994 0.311 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -8.128 4.294 -1.681 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.460 5.938 -1.803 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -6.368 4.533 -1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -5.814 1.915 0.927 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -5.629 2.824 -0.591 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -4.995 3.495 0.930 1.00 0.00 H new ATOM 1523 N ALA A 96 -6.313 8.347 1.132 1.00 0.00 N ATOM 1524 CA ALA A 96 -6.262 9.759 0.810 1.00 0.00 C ATOM 1525 C ALA A 96 -4.801 10.176 0.893 1.00 0.00 C ATOM 1526 O ALA A 96 -4.257 10.704 -0.075 1.00 0.00 O ATOM 1527 CB ALA A 96 -7.164 10.552 1.758 1.00 0.00 C ATOM 0 H ALA A 96 -6.434 8.150 2.125 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.637 9.963 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -7.116 11.611 1.505 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -8.192 10.202 1.661 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -6.828 10.409 2.785 1.00 0.00 H new ATOM 1533 N TYR A 97 -4.145 9.872 2.021 1.00 0.00 N ATOM 1534 CA TYR A 97 -2.725 10.127 2.180 1.00 0.00 C ATOM 1535 C TYR A 97 -1.942 9.592 1.000 1.00 0.00 C ATOM 1536 O TYR A 97 -1.214 10.347 0.368 1.00 0.00 O ATOM 1537 CB TYR A 97 -2.148 9.515 3.459 1.00 0.00 C ATOM 1538 CG TYR A 97 -0.619 9.526 3.531 1.00 0.00 C ATOM 1539 CD1 TYR A 97 0.088 10.636 3.034 1.00 0.00 C ATOM 1540 CD2 TYR A 97 0.110 8.430 4.040 1.00 0.00 C ATOM 1541 CE1 TYR A 97 1.481 10.722 3.165 1.00 0.00 C ATOM 1542 CE2 TYR A 97 1.510 8.522 4.179 1.00 0.00 C ATOM 1543 CZ TYR A 97 2.188 9.694 3.798 1.00 0.00 C ATOM 1544 OH TYR A 97 3.480 9.932 4.184 1.00 0.00 O ATOM 0 H TYR A 97 -4.587 9.447 2.836 1.00 0.00 H new ATOM 0 HA TYR A 97 -2.627 11.211 2.242 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -2.544 10.057 4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -2.496 8.486 3.544 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -0.450 11.434 2.544 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -0.403 7.523 4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 97 2.008 11.581 2.778 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.065 7.687 4.581 1.00 0.00 H new ATOM 0 HH TYR A 97 3.801 9.185 4.731 1.00 0.00 H new ATOM 1554 N LEU A 98 -2.046 8.297 0.712 1.00 0.00 N ATOM 1555 CA LEU A 98 -1.184 7.709 -0.300 1.00 0.00 C ATOM 1556 C LEU A 98 -1.422 8.319 -1.678 1.00 0.00 C ATOM 1557 O LEU A 98 -0.515 8.325 -2.513 1.00 0.00 O ATOM 1558 CB LEU A 98 -1.305 6.187 -0.296 1.00 0.00 C ATOM 1559 CG LEU A 98 -0.915 5.592 1.064 1.00 0.00 C ATOM 1560 CD1 LEU A 98 -1.141 4.081 0.993 1.00 0.00 C ATOM 1561 CD2 LEU A 98 0.530 5.912 1.471 1.00 0.00 C ATOM 0 H LEU A 98 -2.701 7.652 1.154 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.152 7.949 -0.045 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -2.329 5.902 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -0.666 5.769 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.538 6.045 1.835 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.872 3.628 1.947 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -2.191 3.880 0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.522 3.657 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.743 5.463 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 98 1.216 5.508 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 98 0.659 6.992 1.535 1.00 0.00 H new ATOM 1573 N LYS A 99 -2.603 8.910 -1.884 1.00 0.00 N ATOM 1574 CA LYS A 99 -2.950 9.576 -3.132 1.00 0.00 C ATOM 1575 C LYS A 99 -2.116 10.844 -3.339 1.00 0.00 C ATOM 1576 O LYS A 99 -2.027 11.340 -4.459 1.00 0.00 O ATOM 1577 CB LYS A 99 -4.460 9.867 -3.160 1.00 0.00 C ATOM 1578 CG LYS A 99 -5.092 9.384 -4.472 1.00 0.00 C ATOM 1579 CD LYS A 99 -6.627 9.368 -4.405 1.00 0.00 C ATOM 1580 CE LYS A 99 -7.288 10.566 -5.095 1.00 0.00 C ATOM 1581 NZ LYS A 99 -6.891 11.849 -4.484 1.00 0.00 N ATOM 0 H LYS A 99 -3.344 8.937 -1.184 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.714 8.913 -3.965 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -4.944 9.374 -2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -4.629 10.937 -3.044 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.772 10.032 -5.288 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.729 8.382 -4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -6.992 8.449 -4.864 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -6.936 9.347 -3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -7.018 10.569 -6.151 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -8.372 10.461 -5.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -7.375 12.630 -4.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.156 11.851 -3.478 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.862 11.971 -4.571 1.00 0.00 H new ATOM 1595 N LYS A 100 -1.508 11.356 -2.265 1.00 0.00 N ATOM 1596 CA LYS A 100 -0.538 12.435 -2.280 1.00 0.00 C ATOM 1597 C LYS A 100 0.865 11.874 -2.050 1.00 0.00 C ATOM 1598 O LYS A 100 1.801 12.418 -2.614 1.00 0.00 O ATOM 1599 CB LYS A 100 -0.944 13.561 -1.304 1.00 0.00 C ATOM 1600 CG LYS A 100 -0.184 13.639 0.032 1.00 0.00 C ATOM 1601 CD LYS A 100 1.190 14.335 0.008 1.00 0.00 C ATOM 1602 CE LYS A 100 1.169 15.871 -0.037 1.00 0.00 C ATOM 1603 NZ LYS A 100 1.079 16.399 -1.415 1.00 0.00 N ATOM 0 H LYS A 100 -1.692 11.009 -1.324 1.00 0.00 H new ATOM 0 HA LYS A 100 -0.521 12.908 -3.262 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -0.823 14.514 -1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -2.006 13.451 -1.083 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -0.816 14.158 0.753 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -0.045 12.624 0.404 1.00 0.00 H new ATOM 0 HD2 LYS A 100 1.747 14.025 0.892 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.742 13.974 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.322 16.236 0.544 1.00 0.00 H new ATOM 0 HE3 LYS A 100 2.071 16.257 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.910 16.991 -1.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.047 15.607 -2.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.216 16.971 -1.512 1.00 0.00 H new ATOM 1617 N ALA A 101 1.053 10.824 -1.241 1.00 0.00 N ATOM 1618 CA ALA A 101 2.379 10.295 -0.921 1.00 0.00 C ATOM 1619 C ALA A 101 3.086 9.834 -2.192 1.00 0.00 C ATOM 1620 O ALA A 101 4.267 10.097 -2.402 1.00 0.00 O ATOM 1621 CB ALA A 101 2.294 9.134 0.071 1.00 0.00 C ATOM 0 H ALA A 101 0.289 10.319 -0.792 1.00 0.00 H new ATOM 0 HA ALA A 101 2.952 11.099 -0.458 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.297 8.765 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 101 1.828 9.478 0.994 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.697 8.330 -0.360 1.00 0.00 H new ATOM 1627 N THR A 102 2.309 9.182 -3.060 1.00 0.00 N ATOM 1628 CA THR A 102 2.711 8.763 -4.395 1.00 0.00 C ATOM 1629 C THR A 102 3.301 9.917 -5.225 1.00 0.00 C ATOM 1630 O THR A 102 3.959 9.667 -6.232 1.00 0.00 O ATOM 1631 CB THR A 102 1.473 8.137 -5.057 1.00 0.00 C ATOM 1632 OG1 THR A 102 1.792 7.354 -6.191 1.00 0.00 O ATOM 1633 CG2 THR A 102 0.443 9.216 -5.422 1.00 0.00 C ATOM 0 H THR A 102 1.347 8.924 -2.839 1.00 0.00 H new ATOM 0 HA THR A 102 3.519 8.034 -4.334 1.00 0.00 H new ATOM 0 HB THR A 102 1.037 7.463 -4.320 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.567 7.742 -6.649 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.424 8.748 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.130 9.740 -4.519 1.00 0.00 H new ATOM 0 HG23 THR A 102 0.891 9.926 -6.117 1.00 0.00 H new ATOM 1641 N ASN A 103 3.023 11.169 -4.836 1.00 0.00 N ATOM 1642 CA ASN A 103 3.594 12.385 -5.401 1.00 0.00 C ATOM 1643 C ASN A 103 3.775 13.420 -4.275 1.00 0.00 C ATOM 1644 O ASN A 103 3.153 14.487 -4.297 1.00 0.00 O ATOM 1645 CB ASN A 103 2.674 12.879 -6.532 1.00 0.00 C ATOM 1646 CG ASN A 103 3.295 13.980 -7.391 1.00 0.00 C ATOM 1647 OD1 ASN A 103 3.666 13.744 -8.535 1.00 0.00 O ATOM 1648 ND2 ASN A 103 3.387 15.201 -6.878 1.00 0.00 N ATOM 0 H ASN A 103 2.362 11.363 -4.083 1.00 0.00 H new ATOM 0 HA ASN A 103 4.578 12.206 -5.834 1.00 0.00 H new ATOM 0 HB2 ASN A 103 2.413 12.035 -7.171 1.00 0.00 H new ATOM 0 HB3 ASN A 103 1.745 13.249 -6.098 1.00 0.00 H new ATOM 0 HD21 ASN A 103 3.772 15.962 -7.438 1.00 0.00 H new ATOM 0 HD22 ASN A 103 3.073 15.378 -5.924 1.00 0.00 H new ATOM 1655 N GLU A 104 4.592 13.092 -3.266 1.00 0.00 N ATOM 1656 CA GLU A 104 5.089 14.057 -2.293 1.00 0.00 C ATOM 1657 C GLU A 104 6.569 14.307 -2.565 1.00 0.00 C ATOM 1658 O GLU A 104 7.165 15.148 -1.855 1.00 0.00 O ATOM 1659 CB GLU A 104 4.822 13.610 -0.842 1.00 0.00 C ATOM 1660 CG GLU A 104 5.634 12.421 -0.297 1.00 0.00 C ATOM 1661 CD GLU A 104 6.295 12.759 1.032 1.00 0.00 C ATOM 1662 OE1 GLU A 104 5.557 12.847 2.054 1.00 0.00 O ATOM 1663 OE2 GLU A 104 7.536 12.932 0.966 1.00 0.00 O ATOM 1664 OXT GLU A 104 7.143 13.587 -3.408 1.00 0.00 O ATOM 0 H GLU A 104 4.926 12.141 -3.106 1.00 0.00 H new ATOM 0 HA GLU A 104 4.546 14.995 -2.407 1.00 0.00 H new ATOM 0 HB2 GLU A 104 5.001 14.465 -0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 104 3.764 13.360 -0.758 1.00 0.00 H new ATOM 0 HG2 GLU A 104 4.979 11.559 -0.170 1.00 0.00 H new ATOM 0 HG3 GLU A 104 6.397 12.137 -1.022 1.00 0.00 H new