USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 574 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 83 MET CE :methyl -161:sc= -1.32 (180deg=-2.35) USER MOD Set 1.2: A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0992 X(o=-0.099,f=0.021) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -154:sc= 1.18 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 1.17 K(o=1.2,f=0.22) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -92:sc= 1.27 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -0.668 K(o=-0.67,f=-1.5) USER MOD Single : A 52 ASN : amide:sc= -0.0343 X(o=-0.034,f=-0.38) USER MOD Single : A 53 SER OG : rot 86:sc= 1.31 USER MOD Single : A 56 MET CE :methyl 154:sc= -0.177 (180deg=-1.34!) USER MOD Single : A 57 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.66 K(o=-0.66,f=-0.03) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 MET CE :methyl -159:sc= -0.0182 (180deg=-0.386) USER MOD Single : A 69 THR OG1 : rot -71:sc= 1.28 USER MOD Single : A 82 ASN : amide:sc= 0.0746 K(o=0.075,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 14 -4.014 -0.346 -3.237 0.49 3.17 N ATOM 2 CA ASN A 14 -3.113 -0.682 -4.361 0.49 2.41 C ATOM 3 C ASN A 14 -1.724 -1.058 -3.833 0.49 2.00 C ATOM 4 O ASN A 14 -1.399 -0.700 -2.699 0.49 2.07 O ATOM 5 CB ASN A 14 -3.012 0.486 -5.368 0.49 2.77 C ATOM 6 CG ASN A 14 -4.353 0.919 -5.953 0.49 2.85 C ATOM 7 OD1 ASN A 14 -5.414 0.455 -5.556 0.49 3.21 O ATOM 8 ND2 ASN A 14 -4.350 1.827 -6.902 0.49 3.31 N ATOM 0 HA ASN A 14 -3.534 -1.539 -4.887 0.49 2.41 H new ATOM 0 HB2 ASN A 14 -2.551 1.340 -4.873 0.49 2.77 H new ATOM 0 HB3 ASN A 14 -2.349 0.194 -6.183 0.49 2.77 H new ATOM 0 HD21 ASN A 14 -5.231 2.144 -7.307 0.49 3.31 H new ATOM 0 HD22 ASN A 14 -3.467 2.215 -7.234 0.49 3.31 H new ATOM 15 N PRO A 15 -0.871 -1.732 -4.631 0.49 1.70 N ATOM 16 CA PRO A 15 0.587 -1.628 -4.505 0.49 1.54 C ATOM 17 C PRO A 15 1.062 -0.175 -4.708 0.49 1.48 C ATOM 18 O PRO A 15 0.319 0.665 -5.214 0.49 1.70 O ATOM 19 CB PRO A 15 1.153 -2.554 -5.587 0.49 1.53 C ATOM 20 CG PRO A 15 0.079 -2.512 -6.673 0.49 1.68 C ATOM 21 CD PRO A 15 -1.208 -2.443 -5.857 0.49 1.67 C ATOM 0 HA PRO A 15 0.928 -1.916 -3.510 0.49 1.54 H new ATOM 0 HB2 PRO A 15 2.115 -2.201 -5.957 0.49 1.53 H new ATOM 0 HB3 PRO A 15 1.308 -3.566 -5.212 0.49 1.53 H new ATOM 0 HG2 PRO A 15 0.194 -1.646 -7.325 0.49 1.68 H new ATOM 0 HG3 PRO A 15 0.110 -3.396 -7.309 0.49 1.68 H new ATOM 0 HD2 PRO A 15 -1.991 -1.921 -6.407 0.49 1.67 H new ATOM 0 HD3 PRO A 15 -1.584 -3.442 -5.637 0.49 1.67 H new ATOM 29 N CYS A 16 2.305 0.125 -4.321 1.00 1.29 N ATOM 30 CA CYS A 16 2.820 1.499 -4.232 1.00 1.26 C ATOM 31 C CYS A 16 3.913 1.808 -5.273 1.00 1.21 C ATOM 32 O CYS A 16 5.116 1.707 -5.011 1.00 1.00 O ATOM 33 CB CYS A 16 3.221 1.760 -2.775 1.00 1.19 C ATOM 34 SG CYS A 16 1.919 2.629 -1.870 1.00 1.18 S ATOM 0 H CYS A 16 2.990 -0.583 -4.058 1.00 1.29 H new ATOM 0 HA CYS A 16 2.038 2.209 -4.501 1.00 1.26 H new ATOM 0 HB2 CYS A 16 3.437 0.812 -2.282 1.00 1.19 H new ATOM 0 HB3 CYS A 16 4.138 2.349 -2.750 1.00 1.19 H new ATOM 39 N LEU A 17 3.480 2.180 -6.480 1.00 1.48 N ATOM 40 CA LEU A 17 4.348 2.335 -7.653 1.00 1.47 C ATOM 41 C LEU A 17 5.244 3.583 -7.577 1.00 1.45 C ATOM 42 O LEU A 17 6.374 3.542 -8.057 1.00 1.39 O ATOM 43 CB LEU A 17 3.497 2.320 -8.938 1.00 1.64 C ATOM 44 CG LEU A 17 3.085 0.916 -9.429 1.00 1.66 C ATOM 45 CD1 LEU A 17 2.227 0.128 -8.435 1.00 2.68 C ATOM 46 CD2 LEU A 17 2.299 1.043 -10.734 1.00 2.96 C ATOM 0 H LEU A 17 2.500 2.386 -6.674 1.00 1.48 H new ATOM 0 HA LEU A 17 5.032 1.487 -7.671 1.00 1.47 H new ATOM 0 HB2 LEU A 17 2.595 2.908 -8.766 1.00 1.64 H new ATOM 0 HB3 LEU A 17 4.055 2.817 -9.732 1.00 1.64 H new ATOM 0 HG LEU A 17 4.016 0.365 -9.560 1.00 1.66 H new ATOM 0 HD11 LEU A 17 1.982 -0.846 -8.858 1.00 2.68 H new ATOM 0 HD12 LEU A 17 2.780 -0.009 -7.506 1.00 2.68 H new ATOM 0 HD13 LEU A 17 1.308 0.677 -8.233 1.00 2.68 H new ATOM 0 HD21 LEU A 17 2.008 0.052 -11.081 1.00 2.96 H new ATOM 0 HD22 LEU A 17 1.406 1.645 -10.564 1.00 2.96 H new ATOM 0 HD23 LEU A 17 2.922 1.523 -11.489 1.00 2.96 H new ATOM 58 N SER A 18 4.811 4.658 -6.911 1.00 1.55 N ATOM 59 CA SER A 18 5.620 5.878 -6.741 1.00 1.60 C ATOM 60 C SER A 18 6.853 5.618 -5.873 1.00 1.41 C ATOM 61 O SER A 18 7.964 6.029 -6.219 1.00 1.39 O ATOM 62 CB SER A 18 4.819 6.969 -6.032 1.00 1.89 C ATOM 63 OG SER A 18 3.544 7.197 -6.606 1.00 2.09 O ATOM 0 H SER A 18 3.891 4.711 -6.473 1.00 1.55 H new ATOM 0 HA SER A 18 5.913 6.189 -7.744 1.00 1.60 H new ATOM 0 HB2 SER A 18 4.693 6.694 -4.985 1.00 1.89 H new ATOM 0 HB3 SER A 18 5.389 7.898 -6.051 1.00 1.89 H new ATOM 0 HG SER A 18 3.082 7.903 -6.107 1.00 2.09 H new ATOM 69 N GLU A 19 6.662 4.906 -4.757 1.00 1.33 N ATOM 70 CA GLU A 19 7.746 4.494 -3.859 1.00 1.20 C ATOM 71 C GLU A 19 8.565 3.352 -4.477 1.00 0.96 C ATOM 72 O GLU A 19 9.776 3.286 -4.276 1.00 0.89 O ATOM 73 CB GLU A 19 7.166 4.094 -2.489 1.00 1.29 C ATOM 74 CG GLU A 19 8.155 4.271 -1.322 1.00 2.00 C ATOM 75 CD GLU A 19 8.424 5.733 -0.916 1.00 2.17 C ATOM 76 OE1 GLU A 19 7.832 6.670 -1.507 1.00 2.21 O ATOM 77 OE2 GLU A 19 9.211 5.950 0.038 1.00 3.34 O ATOM 0 H GLU A 19 5.740 4.596 -4.449 1.00 1.33 H new ATOM 0 HA GLU A 19 8.424 5.335 -3.713 1.00 1.20 H new ATOM 0 HB2 GLU A 19 6.276 4.692 -2.293 1.00 1.29 H new ATOM 0 HB3 GLU A 19 6.848 3.052 -2.529 1.00 1.29 H new ATOM 0 HG2 GLU A 19 7.771 3.733 -0.455 1.00 2.00 H new ATOM 0 HG3 GLU A 19 9.102 3.804 -1.593 1.00 2.00 H new ATOM 84 N SER A 20 7.940 2.503 -5.304 1.00 0.92 N ATOM 85 CA SER A 20 8.657 1.500 -6.119 1.00 0.85 C ATOM 86 C SER A 20 9.633 2.169 -7.104 1.00 0.93 C ATOM 87 O SER A 20 10.781 1.739 -7.256 1.00 0.89 O ATOM 88 CB SER A 20 7.644 0.625 -6.871 1.00 1.03 C ATOM 89 OG SER A 20 8.240 -0.486 -7.516 1.00 1.82 O ATOM 0 H SER A 20 6.928 2.488 -5.430 1.00 0.92 H new ATOM 0 HA SER A 20 9.247 0.872 -5.451 1.00 0.85 H new ATOM 0 HB2 SER A 20 6.890 0.269 -6.170 1.00 1.03 H new ATOM 0 HB3 SER A 20 7.127 1.234 -7.613 1.00 1.03 H new ATOM 0 HG SER A 20 7.549 -1.007 -7.976 1.00 1.82 H new ATOM 95 N ASP A 21 9.216 3.272 -7.723 1.00 1.09 N ATOM 96 CA ASP A 21 10.013 4.091 -8.639 1.00 1.16 C ATOM 97 C ASP A 21 11.093 4.930 -7.920 1.00 1.15 C ATOM 98 O ASP A 21 12.211 5.084 -8.423 1.00 1.26 O ATOM 99 CB ASP A 21 9.015 4.946 -9.428 1.00 1.24 C ATOM 100 CG ASP A 21 9.674 5.889 -10.422 1.00 1.64 C ATOM 101 OD1 ASP A 21 10.343 5.398 -11.363 1.00 2.39 O ATOM 102 OD2 ASP A 21 9.510 7.123 -10.272 1.00 2.64 O ATOM 0 H ASP A 21 8.272 3.637 -7.595 1.00 1.09 H new ATOM 0 HA ASP A 21 10.592 3.459 -9.312 1.00 1.16 H new ATOM 0 HB2 ASP A 21 8.330 4.289 -9.963 1.00 1.24 H new ATOM 0 HB3 ASP A 21 8.416 5.529 -8.728 1.00 1.24 H new ATOM 107 N ALA A 22 10.811 5.401 -6.703 1.00 1.09 N ATOM 108 CA ALA A 22 11.810 6.033 -5.837 1.00 1.11 C ATOM 109 C ALA A 22 12.824 5.010 -5.272 1.00 0.95 C ATOM 110 O ALA A 22 13.974 5.367 -5.009 1.00 1.09 O ATOM 111 CB ALA A 22 11.073 6.793 -4.728 1.00 1.17 C ATOM 0 H ALA A 22 9.880 5.355 -6.289 1.00 1.09 H new ATOM 0 HA ALA A 22 12.406 6.734 -6.422 1.00 1.11 H new ATOM 0 HB1 ALA A 22 11.799 7.272 -4.071 1.00 1.17 H new ATOM 0 HB2 ALA A 22 10.430 7.552 -5.173 1.00 1.17 H new ATOM 0 HB3 ALA A 22 10.466 6.096 -4.151 1.00 1.17 H new ATOM 117 N SER A 23 12.439 3.734 -5.152 1.00 0.79 N ATOM 118 CA SER A 23 13.355 2.614 -4.896 1.00 0.74 C ATOM 119 C SER A 23 14.262 2.348 -6.101 1.00 0.84 C ATOM 120 O SER A 23 15.479 2.274 -5.927 1.00 0.86 O ATOM 121 CB SER A 23 12.585 1.347 -4.511 1.00 0.76 C ATOM 122 OG SER A 23 13.474 0.425 -3.916 1.00 1.58 O ATOM 0 H SER A 23 11.464 3.445 -5.231 1.00 0.79 H new ATOM 0 HA SER A 23 13.988 2.897 -4.055 1.00 0.74 H new ATOM 0 HB2 SER A 23 11.780 1.593 -3.818 1.00 0.76 H new ATOM 0 HB3 SER A 23 12.122 0.906 -5.394 1.00 0.76 H new ATOM 0 HG SER A 23 13.133 -0.485 -4.041 1.00 1.58 H new ATOM 128 N THR A 24 13.722 2.347 -7.336 1.00 0.99 N ATOM 129 CA THR A 24 14.547 2.364 -8.568 1.00 1.30 C ATOM 130 C THR A 24 15.588 3.483 -8.499 1.00 1.38 C ATOM 131 O THR A 24 16.767 3.250 -8.785 1.00 1.49 O ATOM 132 CB THR A 24 13.718 2.587 -9.852 1.00 1.74 C ATOM 133 OG1 THR A 24 12.580 1.756 -9.897 1.00 1.93 O ATOM 134 CG2 THR A 24 14.500 2.273 -11.126 1.00 1.94 C ATOM 0 H THR A 24 12.717 2.335 -7.510 1.00 0.99 H new ATOM 0 HA THR A 24 15.016 1.381 -8.619 1.00 1.30 H new ATOM 0 HB THR A 24 13.447 3.642 -9.813 1.00 1.74 H new ATOM 0 HG1 THR A 24 12.082 1.928 -10.723 1.00 1.93 H new ATOM 0 HG21 THR A 24 13.866 2.448 -11.995 1.00 1.94 H new ATOM 0 HG22 THR A 24 15.378 2.917 -11.182 1.00 1.94 H new ATOM 0 HG23 THR A 24 14.815 1.230 -11.112 1.00 1.94 H new ATOM 142 N ARG A 25 15.166 4.675 -8.043 1.00 1.42 N ATOM 143 CA ARG A 25 16.035 5.845 -7.863 1.00 1.65 C ATOM 144 C ARG A 25 17.145 5.621 -6.835 1.00 1.51 C ATOM 145 O ARG A 25 18.302 5.859 -7.163 1.00 1.61 O ATOM 146 CB ARG A 25 15.183 7.082 -7.517 1.00 1.89 C ATOM 147 CG ARG A 25 15.803 8.421 -7.943 1.00 3.57 C ATOM 148 CD ARG A 25 15.973 8.515 -9.467 1.00 3.92 C ATOM 149 NE ARG A 25 17.312 8.104 -9.929 1.00 5.20 N ATOM 150 CZ ARG A 25 18.475 8.693 -9.723 1.00 7.10 C ATOM 151 NH1 ARG A 25 18.614 9.853 -9.150 1.00 8.13 N ATOM 152 NH2 ARG A 25 19.574 8.131 -10.110 1.00 8.43 N ATOM 0 H ARG A 25 14.195 4.853 -7.786 1.00 1.42 H new ATOM 0 HA ARG A 25 16.547 6.017 -8.810 1.00 1.65 H new ATOM 0 HB2 ARG A 25 14.207 6.980 -7.992 1.00 1.89 H new ATOM 0 HB3 ARG A 25 15.013 7.101 -6.441 1.00 1.89 H new ATOM 0 HG2 ARG A 25 15.172 9.240 -7.597 1.00 3.57 H new ATOM 0 HG3 ARG A 25 16.773 8.541 -7.461 1.00 3.57 H new ATOM 0 HD2 ARG A 25 15.222 7.890 -9.949 1.00 3.92 H new ATOM 0 HD3 ARG A 25 15.785 9.541 -9.784 1.00 3.92 H new ATOM 0 HE ARG A 25 17.344 7.248 -10.483 1.00 5.20 H new ATOM 0 HH11 ARG A 25 17.792 10.365 -8.829 1.00 8.13 H new ATOM 0 HH12 ARG A 25 19.545 10.250 -9.022 1.00 8.13 H new ATOM 0 HH21 ARG A 25 19.546 7.225 -10.579 1.00 8.43 H new ATOM 0 HH22 ARG A 25 20.468 8.593 -9.947 1.00 8.43 H new ATOM 166 N CYS A 26 16.821 5.103 -5.645 1.00 1.32 N ATOM 167 CA CYS A 26 17.826 4.728 -4.636 1.00 1.26 C ATOM 168 C CYS A 26 18.856 3.740 -5.210 1.00 1.16 C ATOM 169 O CYS A 26 20.062 3.895 -5.040 1.00 1.29 O ATOM 170 CB CYS A 26 17.162 4.120 -3.380 1.00 1.18 C ATOM 171 SG CYS A 26 18.391 3.385 -2.250 1.00 1.24 S ATOM 0 H CYS A 26 15.859 4.931 -5.352 1.00 1.32 H new ATOM 0 HA CYS A 26 18.344 5.643 -4.348 1.00 1.26 H new ATOM 0 HB2 CYS A 26 16.603 4.894 -2.854 1.00 1.18 H new ATOM 0 HB3 CYS A 26 16.444 3.357 -3.682 1.00 1.18 H new ATOM 176 N LEU A 27 18.390 2.716 -5.916 1.00 1.03 N ATOM 177 CA LEU A 27 19.231 1.623 -6.405 1.00 1.07 C ATOM 178 C LEU A 27 20.142 2.040 -7.567 1.00 1.30 C ATOM 179 O LEU A 27 21.275 1.572 -7.675 1.00 1.40 O ATOM 180 CB LEU A 27 18.276 0.476 -6.747 1.00 1.07 C ATOM 181 CG LEU A 27 17.946 -0.371 -5.509 1.00 0.91 C ATOM 182 CD1 LEU A 27 17.724 0.280 -4.140 1.00 0.74 C ATOM 183 CD2 LEU A 27 16.717 -1.232 -5.788 1.00 1.01 C ATOM 0 H LEU A 27 17.407 2.618 -6.169 1.00 1.03 H new ATOM 0 HA LEU A 27 19.943 1.305 -5.643 1.00 1.07 H new ATOM 0 HB2 LEU A 27 17.356 0.881 -7.168 1.00 1.07 H new ATOM 0 HB3 LEU A 27 18.725 -0.157 -7.513 1.00 1.07 H new ATOM 0 HG LEU A 27 18.891 -0.901 -5.387 1.00 0.91 H new ATOM 0 HD11 LEU A 27 17.503 -0.491 -3.402 1.00 0.74 H new ATOM 0 HD12 LEU A 27 18.624 0.819 -3.843 1.00 0.74 H new ATOM 0 HD13 LEU A 27 16.887 0.976 -4.199 1.00 0.74 H new ATOM 0 HD21 LEU A 27 16.485 -1.832 -4.908 1.00 1.01 H new ATOM 0 HD22 LEU A 27 15.868 -0.590 -6.023 1.00 1.01 H new ATOM 0 HD23 LEU A 27 16.918 -1.890 -6.633 1.00 1.01 H new ATOM 195 N ASP A 28 19.663 2.963 -8.391 1.00 1.44 N ATOM 196 CA ASP A 28 20.451 3.699 -9.404 1.00 1.69 C ATOM 197 C ASP A 28 21.397 4.769 -8.799 1.00 1.74 C ATOM 198 O ASP A 28 22.426 5.087 -9.401 1.00 1.93 O ATOM 199 CB ASP A 28 19.507 4.305 -10.460 1.00 1.84 C ATOM 200 CG ASP A 28 20.256 4.880 -11.672 1.00 2.18 C ATOM 201 OD1 ASP A 28 20.887 4.097 -12.426 1.00 2.48 O ATOM 202 OD2 ASP A 28 20.241 6.118 -11.866 1.00 3.13 O ATOM 0 H ASP A 28 18.681 3.239 -8.382 1.00 1.44 H new ATOM 0 HA ASP A 28 21.111 2.977 -9.884 1.00 1.69 H new ATOM 0 HB2 ASP A 28 18.810 3.539 -10.800 1.00 1.84 H new ATOM 0 HB3 ASP A 28 18.913 5.094 -9.999 1.00 1.84 H new ATOM 207 N GLU A 29 21.108 5.296 -7.606 1.00 1.66 N ATOM 208 CA GLU A 29 22.013 6.146 -6.817 1.00 1.78 C ATOM 209 C GLU A 29 23.193 5.371 -6.211 1.00 1.69 C ATOM 210 O GLU A 29 24.341 5.776 -6.402 1.00 1.81 O ATOM 211 CB GLU A 29 21.218 6.855 -5.702 1.00 1.80 C ATOM 212 CG GLU A 29 20.894 8.317 -6.039 1.00 2.01 C ATOM 213 CD GLU A 29 22.110 9.256 -6.004 1.00 2.24 C ATOM 214 OE1 GLU A 29 22.878 9.254 -5.010 1.00 3.25 O ATOM 215 OE2 GLU A 29 22.306 10.035 -6.969 1.00 2.51 O ATOM 0 H GLU A 29 20.211 5.140 -7.146 1.00 1.66 H new ATOM 0 HA GLU A 29 22.440 6.879 -7.501 1.00 1.78 H new ATOM 0 HB2 GLU A 29 20.289 6.314 -5.524 1.00 1.80 H new ATOM 0 HB3 GLU A 29 21.790 6.819 -4.775 1.00 1.80 H new ATOM 0 HG2 GLU A 29 20.446 8.359 -7.032 1.00 2.01 H new ATOM 0 HG3 GLU A 29 20.146 8.683 -5.336 1.00 2.01 H new ATOM 222 N ASN A 30 22.944 4.267 -5.496 1.00 1.51 N ATOM 223 CA ASN A 30 23.939 3.512 -4.728 1.00 1.48 C ATOM 224 C ASN A 30 24.020 2.026 -5.145 1.00 1.35 C ATOM 225 O ASN A 30 23.616 1.142 -4.387 1.00 1.48 O ATOM 226 CB ASN A 30 23.688 3.740 -3.216 1.00 1.59 C ATOM 227 CG ASN A 30 22.240 3.610 -2.767 1.00 1.51 C ATOM 228 OD1 ASN A 30 21.679 4.509 -2.154 1.00 1.72 O ATOM 229 ND2 ASN A 30 21.604 2.504 -3.063 1.00 1.27 N ATOM 0 H ASN A 30 22.010 3.861 -5.435 1.00 1.51 H new ATOM 0 HA ASN A 30 24.935 3.890 -4.958 1.00 1.48 H new ATOM 0 HB2 ASN A 30 24.290 3.027 -2.654 1.00 1.59 H new ATOM 0 HB3 ASN A 30 24.044 4.736 -2.952 1.00 1.59 H new ATOM 0 HD21 ASN A 30 20.631 2.385 -2.782 1.00 1.27 H new ATOM 0 HD22 ASN A 30 22.082 1.762 -3.574 1.00 1.27 H new ATOM 236 N ASN A 31 24.520 1.748 -6.356 1.00 1.28 N ATOM 237 CA ASN A 31 24.987 0.426 -6.825 1.00 1.38 C ATOM 238 C ASN A 31 24.096 -0.777 -6.420 1.00 1.34 C ATOM 239 O ASN A 31 24.579 -1.823 -5.970 1.00 1.49 O ATOM 240 CB ASN A 31 26.477 0.248 -6.468 1.00 1.56 C ATOM 241 CG ASN A 31 27.347 1.422 -6.883 1.00 2.68 C ATOM 242 OD1 ASN A 31 27.642 2.301 -6.080 1.00 4.09 O ATOM 243 ND2 ASN A 31 27.768 1.498 -8.121 1.00 3.63 N ATOM 0 H ASN A 31 24.617 2.468 -7.072 1.00 1.28 H new ATOM 0 HA ASN A 31 24.886 0.422 -7.910 1.00 1.38 H new ATOM 0 HB2 ASN A 31 26.569 0.101 -5.392 1.00 1.56 H new ATOM 0 HB3 ASN A 31 26.851 -0.657 -6.946 1.00 1.56 H new ATOM 0 HD21 ASN A 31 28.341 2.288 -8.417 1.00 3.63 H new ATOM 0 HD22 ASN A 31 27.523 0.767 -8.789 1.00 3.63 H new ATOM 250 N TYR A 32 22.777 -0.613 -6.550 1.00 1.26 N ATOM 251 CA TYR A 32 21.746 -1.607 -6.252 1.00 1.26 C ATOM 252 C TYR A 32 21.792 -2.180 -4.810 1.00 1.28 C ATOM 253 O TYR A 32 21.708 -3.390 -4.598 1.00 1.57 O ATOM 254 CB TYR A 32 21.680 -2.640 -7.397 1.00 1.60 C ATOM 255 CG TYR A 32 20.282 -3.056 -7.828 1.00 1.80 C ATOM 256 CD1 TYR A 32 19.316 -3.431 -6.876 1.00 2.28 C ATOM 257 CD2 TYR A 32 19.949 -3.083 -9.197 1.00 2.82 C ATOM 258 CE1 TYR A 32 18.041 -3.855 -7.287 1.00 2.53 C ATOM 259 CE2 TYR A 32 18.673 -3.509 -9.615 1.00 3.10 C ATOM 260 CZ TYR A 32 17.715 -3.905 -8.658 1.00 2.47 C ATOM 261 OH TYR A 32 16.479 -4.324 -9.040 1.00 2.87 O ATOM 0 H TYR A 32 22.380 0.265 -6.884 1.00 1.26 H new ATOM 0 HA TYR A 32 20.779 -1.105 -6.229 1.00 1.26 H new ATOM 0 HB2 TYR A 32 22.200 -2.230 -8.262 1.00 1.60 H new ATOM 0 HB3 TYR A 32 22.226 -3.532 -7.090 1.00 1.60 H new ATOM 0 HD1 TYR A 32 19.556 -3.393 -5.824 1.00 2.28 H new ATOM 0 HD2 TYR A 32 20.678 -2.775 -9.932 1.00 2.82 H new ATOM 0 HE1 TYR A 32 17.307 -4.144 -6.549 1.00 2.53 H new ATOM 0 HE2 TYR A 32 18.428 -3.532 -10.667 1.00 3.10 H new ATOM 0 HH TYR A 32 16.413 -4.300 -10.017 1.00 2.87 H new ATOM 271 N ASP A 33 21.908 -1.319 -3.791 1.00 1.16 N ATOM 272 CA ASP A 33 21.821 -1.681 -2.362 1.00 1.33 C ATOM 273 C ASP A 33 20.356 -1.858 -1.900 1.00 1.30 C ATOM 274 O ASP A 33 19.805 -1.137 -1.060 1.00 1.33 O ATOM 275 CB ASP A 33 22.646 -0.725 -1.481 1.00 1.50 C ATOM 276 CG ASP A 33 23.053 -1.383 -0.153 1.00 1.88 C ATOM 277 OD1 ASP A 33 22.264 -2.171 0.419 1.00 2.65 O ATOM 278 OD2 ASP A 33 24.210 -1.163 0.289 1.00 2.34 O ATOM 0 H ASP A 33 22.070 -0.323 -3.937 1.00 1.16 H new ATOM 0 HA ASP A 33 22.281 -2.661 -2.236 1.00 1.33 H new ATOM 0 HB2 ASP A 33 23.540 -0.413 -2.021 1.00 1.50 H new ATOM 0 HB3 ASP A 33 22.065 0.175 -1.278 1.00 1.50 H new ATOM 283 N ARG A 34 19.715 -2.872 -2.487 1.00 1.36 N ATOM 284 CA ARG A 34 18.359 -3.365 -2.146 1.00 1.45 C ATOM 285 C ARG A 34 18.204 -3.898 -0.711 1.00 1.75 C ATOM 286 O ARG A 34 17.102 -4.272 -0.308 1.00 1.97 O ATOM 287 CB ARG A 34 17.907 -4.408 -3.187 1.00 1.64 C ATOM 288 CG ARG A 34 18.743 -5.702 -3.194 1.00 2.36 C ATOM 289 CD ARG A 34 18.257 -6.650 -4.297 1.00 3.07 C ATOM 290 NE ARG A 34 19.083 -7.868 -4.372 1.00 3.76 N ATOM 291 CZ ARG A 34 18.691 -9.121 -4.205 1.00 4.22 C ATOM 292 NH1 ARG A 34 17.495 -9.444 -3.820 1.00 4.24 N ATOM 293 NH2 ARG A 34 19.476 -10.131 -4.421 1.00 5.34 N ATOM 0 H ARG A 34 20.138 -3.402 -3.249 1.00 1.36 H new ATOM 0 HA ARG A 34 17.703 -2.495 -2.180 1.00 1.45 H new ATOM 0 HB2 ARG A 34 16.865 -4.664 -2.998 1.00 1.64 H new ATOM 0 HB3 ARG A 34 17.950 -3.957 -4.178 1.00 1.64 H new ATOM 0 HG2 ARG A 34 19.795 -5.462 -3.350 1.00 2.36 H new ATOM 0 HG3 ARG A 34 18.669 -6.195 -2.224 1.00 2.36 H new ATOM 0 HD2 ARG A 34 17.219 -6.925 -4.109 1.00 3.07 H new ATOM 0 HD3 ARG A 34 18.281 -6.134 -5.257 1.00 3.07 H new ATOM 0 HE ARG A 34 20.073 -7.729 -4.577 1.00 3.76 H new ATOM 0 HH11 ARG A 34 16.806 -8.716 -3.631 1.00 4.24 H new ATOM 0 HH12 ARG A 34 17.244 -10.426 -3.707 1.00 4.24 H new ATOM 0 HH21 ARG A 34 20.435 -9.974 -4.732 1.00 5.34 H new ATOM 0 HH22 ARG A 34 19.134 -11.082 -4.280 1.00 5.34 H new ATOM 307 N GLU A 35 19.289 -3.941 0.057 1.00 1.86 N ATOM 308 CA GLU A 35 19.302 -4.373 1.460 1.00 2.30 C ATOM 309 C GLU A 35 19.253 -3.192 2.434 1.00 2.37 C ATOM 310 O GLU A 35 18.502 -3.269 3.412 1.00 2.66 O ATOM 311 CB GLU A 35 20.506 -5.281 1.725 1.00 2.68 C ATOM 312 CG GLU A 35 20.297 -6.665 1.105 1.00 2.82 C ATOM 313 CD GLU A 35 21.308 -7.672 1.654 1.00 3.29 C ATOM 314 OE1 GLU A 35 22.432 -7.783 1.109 1.00 3.91 O ATOM 315 OE2 GLU A 35 20.972 -8.374 2.640 1.00 3.71 O ATOM 0 H GLU A 35 20.211 -3.670 -0.284 1.00 1.86 H new ATOM 0 HA GLU A 35 18.394 -4.948 1.639 1.00 2.30 H new ATOM 0 HB2 GLU A 35 21.407 -4.826 1.313 1.00 2.68 H new ATOM 0 HB3 GLU A 35 20.662 -5.380 2.799 1.00 2.68 H new ATOM 0 HG2 GLU A 35 19.285 -7.011 1.313 1.00 2.82 H new ATOM 0 HG3 GLU A 35 20.395 -6.600 0.021 1.00 2.82 H new ATOM 322 N ARG A 36 19.940 -2.078 2.141 1.00 2.19 N ATOM 323 CA ARG A 36 19.723 -0.793 2.831 1.00 2.32 C ATOM 324 C ARG A 36 18.366 -0.204 2.464 1.00 2.20 C ATOM 325 O ARG A 36 17.530 -0.020 3.348 1.00 2.84 O ATOM 326 CB ARG A 36 20.867 0.191 2.518 1.00 2.29 C ATOM 327 CG ARG A 36 22.194 -0.181 3.200 1.00 2.69 C ATOM 328 CD ARG A 36 22.127 0.002 4.721 1.00 3.19 C ATOM 329 NE ARG A 36 23.390 -0.380 5.369 1.00 3.68 N ATOM 330 CZ ARG A 36 23.649 -0.278 6.658 1.00 4.59 C ATOM 331 NH1 ARG A 36 22.813 0.219 7.524 1.00 5.74 N ATOM 332 NH2 ARG A 36 24.778 -0.682 7.147 1.00 5.06 N ATOM 0 H ARG A 36 20.661 -2.040 1.421 1.00 2.19 H new ATOM 0 HA ARG A 36 19.724 -0.974 3.906 1.00 2.32 H new ATOM 0 HB2 ARG A 36 21.019 0.229 1.439 1.00 2.29 H new ATOM 0 HB3 ARG A 36 20.572 1.192 2.834 1.00 2.29 H new ATOM 0 HG2 ARG A 36 22.442 -1.217 2.970 1.00 2.69 H new ATOM 0 HG3 ARG A 36 22.996 0.437 2.795 1.00 2.69 H new ATOM 0 HD2 ARG A 36 21.899 1.042 4.953 1.00 3.19 H new ATOM 0 HD3 ARG A 36 21.314 -0.601 5.125 1.00 3.19 H new ATOM 0 HE ARG A 36 24.127 -0.755 4.772 1.00 3.68 H new ATOM 0 HH11 ARG A 36 21.900 0.556 7.217 1.00 5.74 H new ATOM 0 HH12 ARG A 36 23.071 0.272 8.509 1.00 5.74 H new ATOM 0 HH21 ARG A 36 25.484 -1.087 6.532 1.00 5.06 H new ATOM 0 HH22 ARG A 36 24.961 -0.595 8.147 1.00 5.06 H new ATOM 346 N CYS A 37 18.077 -0.078 1.166 1.00 1.59 N ATOM 347 CA CYS A 37 16.777 0.391 0.658 1.00 1.41 C ATOM 348 C CYS A 37 15.658 -0.679 0.720 1.00 1.37 C ATOM 349 O CYS A 37 14.619 -0.548 0.075 1.00 1.18 O ATOM 350 CB CYS A 37 16.960 1.087 -0.705 1.00 1.23 C ATOM 351 SG CYS A 37 17.470 2.824 -0.521 1.00 1.41 S ATOM 0 H CYS A 37 18.744 -0.300 0.427 1.00 1.59 H new ATOM 0 HA CYS A 37 16.396 1.152 1.339 1.00 1.41 H new ATOM 0 HB2 CYS A 37 17.707 0.550 -1.289 1.00 1.23 H new ATOM 0 HB3 CYS A 37 16.025 1.041 -1.264 1.00 1.23 H new ATOM 356 N SER A 38 15.814 -1.708 1.565 1.00 1.63 N ATOM 357 CA SER A 38 14.731 -2.616 1.989 1.00 1.64 C ATOM 358 C SER A 38 13.559 -1.871 2.656 1.00 1.59 C ATOM 359 O SER A 38 12.408 -2.317 2.586 1.00 1.49 O ATOM 360 CB SER A 38 15.296 -3.662 2.957 1.00 1.89 C ATOM 361 OG SER A 38 15.904 -3.037 4.076 1.00 1.83 O ATOM 0 H SER A 38 16.715 -1.940 1.983 1.00 1.63 H new ATOM 0 HA SER A 38 14.337 -3.096 1.093 1.00 1.64 H new ATOM 0 HB2 SER A 38 14.496 -4.322 3.293 1.00 1.89 H new ATOM 0 HB3 SER A 38 16.027 -4.284 2.441 1.00 1.89 H new ATOM 0 HG SER A 38 16.859 -2.906 3.899 1.00 1.83 H new ATOM 367 N THR A 39 13.842 -0.697 3.227 1.00 1.70 N ATOM 368 CA THR A 39 12.893 0.294 3.763 1.00 1.66 C ATOM 369 C THR A 39 11.796 0.666 2.767 1.00 1.42 C ATOM 370 O THR A 39 10.620 0.697 3.116 1.00 1.33 O ATOM 371 CB THR A 39 13.665 1.572 4.146 1.00 1.94 C ATOM 372 OG1 THR A 39 14.511 1.978 3.088 1.00 2.66 O ATOM 373 CG2 THR A 39 14.583 1.309 5.328 1.00 3.02 C ATOM 0 H THR A 39 14.808 -0.388 3.337 1.00 1.70 H new ATOM 0 HA THR A 39 12.411 -0.158 4.630 1.00 1.66 H new ATOM 0 HB THR A 39 12.919 2.332 4.379 1.00 1.94 H new ATOM 0 HG1 THR A 39 14.992 2.791 3.348 1.00 2.66 H new ATOM 0 HG21 THR A 39 15.119 2.223 5.583 1.00 3.02 H new ATOM 0 HG22 THR A 39 13.991 0.985 6.184 1.00 3.02 H new ATOM 0 HG23 THR A 39 15.299 0.530 5.066 1.00 3.02 H new ATOM 381 N TYR A 40 12.154 0.862 1.500 1.00 1.33 N ATOM 382 CA TYR A 40 11.207 1.165 0.414 1.00 1.14 C ATOM 383 C TYR A 40 10.251 0.001 0.143 1.00 0.91 C ATOM 384 O TYR A 40 9.048 0.193 -0.019 1.00 0.89 O ATOM 385 CB TYR A 40 11.954 1.494 -0.883 1.00 1.12 C ATOM 386 CG TYR A 40 12.687 2.815 -0.879 1.00 1.24 C ATOM 387 CD1 TYR A 40 13.817 2.995 -0.061 1.00 2.78 C ATOM 388 CD2 TYR A 40 12.242 3.865 -1.704 1.00 1.60 C ATOM 389 CE1 TYR A 40 14.482 4.231 -0.038 1.00 2.93 C ATOM 390 CE2 TYR A 40 12.939 5.084 -1.729 1.00 1.64 C ATOM 391 CZ TYR A 40 14.062 5.265 -0.895 1.00 1.58 C ATOM 392 OH TYR A 40 14.764 6.423 -0.928 1.00 1.83 O ATOM 0 H TYR A 40 13.124 0.815 1.188 1.00 1.33 H new ATOM 0 HA TYR A 40 10.627 2.027 0.742 1.00 1.14 H new ATOM 0 HB2 TYR A 40 12.671 0.698 -1.084 1.00 1.12 H new ATOM 0 HB3 TYR A 40 11.240 1.494 -1.706 1.00 1.12 H new ATOM 0 HD1 TYR A 40 14.174 2.180 0.551 1.00 2.78 H new ATOM 0 HD2 TYR A 40 11.364 3.733 -2.318 1.00 1.60 H new ATOM 0 HE1 TYR A 40 15.312 4.388 0.635 1.00 2.93 H new ATOM 0 HE2 TYR A 40 12.616 5.880 -2.384 1.00 1.64 H new ATOM 0 HH TYR A 40 14.350 7.038 -1.569 1.00 1.83 H new ATOM 402 N PHE A 41 10.773 -1.224 0.138 1.00 0.88 N ATOM 403 CA PHE A 41 9.966 -2.430 -0.071 1.00 0.85 C ATOM 404 C PHE A 41 9.050 -2.736 1.134 1.00 0.92 C ATOM 405 O PHE A 41 7.934 -3.240 0.957 1.00 0.93 O ATOM 406 CB PHE A 41 10.898 -3.577 -0.475 1.00 1.09 C ATOM 407 CG PHE A 41 11.611 -3.304 -1.791 1.00 2.36 C ATOM 408 CD1 PHE A 41 10.902 -3.389 -3.005 1.00 3.66 C ATOM 409 CD2 PHE A 41 12.961 -2.904 -1.806 1.00 3.78 C ATOM 410 CE1 PHE A 41 11.542 -3.087 -4.223 1.00 5.28 C ATOM 411 CE2 PHE A 41 13.603 -2.610 -3.023 1.00 5.53 C ATOM 412 CZ PHE A 41 12.894 -2.702 -4.233 1.00 6.03 C ATOM 0 H PHE A 41 11.766 -1.411 0.278 1.00 0.88 H new ATOM 0 HA PHE A 41 9.263 -2.276 -0.890 1.00 0.85 H new ATOM 0 HB2 PHE A 41 11.637 -3.736 0.310 1.00 1.09 H new ATOM 0 HB3 PHE A 41 10.321 -4.498 -0.561 1.00 1.09 H new ATOM 0 HD1 PHE A 41 9.864 -3.687 -3.002 1.00 3.66 H new ATOM 0 HD2 PHE A 41 13.507 -2.822 -0.878 1.00 3.78 H new ATOM 0 HE1 PHE A 41 10.993 -3.151 -5.151 1.00 5.28 H new ATOM 0 HE2 PHE A 41 14.641 -2.313 -3.027 1.00 5.53 H new ATOM 0 HZ PHE A 41 13.386 -2.478 -5.168 1.00 6.03 H new ATOM 422 N LEU A 42 9.454 -2.307 2.336 1.00 0.99 N ATOM 423 CA LEU A 42 8.571 -2.216 3.504 1.00 1.01 C ATOM 424 C LEU A 42 7.469 -1.159 3.321 1.00 0.94 C ATOM 425 O LEU A 42 6.297 -1.496 3.459 1.00 0.97 O ATOM 426 CB LEU A 42 9.425 -2.020 4.777 1.00 1.21 C ATOM 427 CG LEU A 42 8.683 -1.488 6.019 1.00 1.24 C ATOM 428 CD1 LEU A 42 7.590 -2.432 6.515 1.00 1.26 C ATOM 429 CD2 LEU A 42 9.678 -1.276 7.158 1.00 1.47 C ATOM 0 H LEU A 42 10.411 -2.011 2.526 1.00 0.99 H new ATOM 0 HA LEU A 42 8.026 -3.153 3.618 1.00 1.01 H new ATOM 0 HB2 LEU A 42 9.881 -2.976 5.034 1.00 1.21 H new ATOM 0 HB3 LEU A 42 10.237 -1.332 4.542 1.00 1.21 H new ATOM 0 HG LEU A 42 8.210 -0.553 5.719 1.00 1.24 H new ATOM 0 HD11 LEU A 42 7.106 -2.000 7.391 1.00 1.26 H new ATOM 0 HD12 LEU A 42 6.851 -2.579 5.727 1.00 1.26 H new ATOM 0 HD13 LEU A 42 8.032 -3.392 6.781 1.00 1.26 H new ATOM 0 HD21 LEU A 42 9.152 -0.900 8.035 1.00 1.47 H new ATOM 0 HD22 LEU A 42 10.159 -2.223 7.402 1.00 1.47 H new ATOM 0 HD23 LEU A 42 10.434 -0.553 6.851 1.00 1.47 H new ATOM 441 N ARG A 43 7.791 0.078 2.918 1.00 0.97 N ATOM 442 CA ARG A 43 6.776 1.106 2.588 1.00 1.09 C ATOM 443 C ARG A 43 5.799 0.627 1.508 1.00 1.02 C ATOM 444 O ARG A 43 4.615 0.937 1.564 1.00 1.13 O ATOM 445 CB ARG A 43 7.455 2.410 2.149 1.00 1.33 C ATOM 446 CG ARG A 43 8.304 3.077 3.243 1.00 1.75 C ATOM 447 CD ARG A 43 9.211 4.139 2.591 1.00 2.33 C ATOM 448 NE ARG A 43 10.370 4.530 3.418 1.00 3.66 N ATOM 449 CZ ARG A 43 11.331 5.361 3.046 1.00 4.65 C ATOM 450 NH1 ARG A 43 11.338 5.975 1.894 1.00 4.57 N ATOM 451 NH2 ARG A 43 12.320 5.592 3.855 1.00 6.28 N ATOM 0 H ARG A 43 8.753 0.399 2.810 1.00 0.97 H new ATOM 0 HA ARG A 43 6.198 1.290 3.494 1.00 1.09 H new ATOM 0 HB2 ARG A 43 8.090 2.204 1.287 1.00 1.33 H new ATOM 0 HB3 ARG A 43 6.689 3.112 1.820 1.00 1.33 H new ATOM 0 HG2 ARG A 43 7.660 3.539 3.991 1.00 1.75 H new ATOM 0 HG3 ARG A 43 8.908 2.331 3.759 1.00 1.75 H new ATOM 0 HD2 ARG A 43 9.572 3.757 1.636 1.00 2.33 H new ATOM 0 HD3 ARG A 43 8.616 5.026 2.375 1.00 2.33 H new ATOM 0 HE ARG A 43 10.436 4.127 4.353 1.00 3.66 H new ATOM 0 HH11 ARG A 43 10.578 5.824 1.231 1.00 4.57 H new ATOM 0 HH12 ARG A 43 12.104 6.606 1.657 1.00 4.57 H new ATOM 0 HH21 ARG A 43 12.351 5.135 4.766 1.00 6.28 H new ATOM 0 HH22 ARG A 43 13.066 6.230 3.579 1.00 6.28 H new ATOM 465 N TYR A 44 6.269 -0.211 0.585 1.00 0.92 N ATOM 466 CA TYR A 44 5.435 -0.834 -0.451 1.00 0.95 C ATOM 467 C TYR A 44 4.471 -1.871 0.152 1.00 1.01 C ATOM 468 O TYR A 44 3.267 -1.826 -0.125 1.00 1.17 O ATOM 469 CB TYR A 44 6.347 -1.392 -1.554 1.00 0.87 C ATOM 470 CG TYR A 44 5.671 -2.195 -2.647 1.00 0.93 C ATOM 471 CD1 TYR A 44 5.423 -3.568 -2.454 1.00 1.59 C ATOM 472 CD2 TYR A 44 5.374 -1.595 -3.888 1.00 2.24 C ATOM 473 CE1 TYR A 44 4.873 -4.338 -3.496 1.00 1.60 C ATOM 474 CE2 TYR A 44 4.833 -2.366 -4.936 1.00 2.37 C ATOM 475 CZ TYR A 44 4.580 -3.742 -4.739 1.00 1.22 C ATOM 476 OH TYR A 44 4.080 -4.506 -5.744 1.00 1.41 O ATOM 0 H TYR A 44 7.251 -0.482 0.532 1.00 0.92 H new ATOM 0 HA TYR A 44 4.785 -0.090 -0.911 1.00 0.95 H new ATOM 0 HB2 TYR A 44 6.871 -0.557 -2.019 1.00 0.87 H new ATOM 0 HB3 TYR A 44 7.103 -2.022 -1.086 1.00 0.87 H new ATOM 0 HD1 TYR A 44 5.655 -4.030 -1.506 1.00 1.59 H new ATOM 0 HD2 TYR A 44 5.562 -0.542 -4.036 1.00 2.24 H new ATOM 0 HE1 TYR A 44 4.675 -5.389 -3.343 1.00 1.60 H new ATOM 0 HE2 TYR A 44 4.612 -1.906 -5.888 1.00 2.37 H new ATOM 0 HH TYR A 44 3.930 -3.948 -6.536 1.00 1.41 H new ATOM 486 N LYS A 45 4.952 -2.736 1.061 1.00 0.96 N ATOM 487 CA LYS A 45 4.074 -3.612 1.861 1.00 1.09 C ATOM 488 C LYS A 45 3.115 -2.857 2.792 1.00 1.15 C ATOM 489 O LYS A 45 2.008 -3.350 3.011 1.00 1.23 O ATOM 490 CB LYS A 45 4.905 -4.614 2.678 1.00 1.12 C ATOM 491 CG LYS A 45 5.378 -5.802 1.828 1.00 1.99 C ATOM 492 CD LYS A 45 5.958 -6.882 2.748 1.00 1.86 C ATOM 493 CE LYS A 45 6.418 -8.109 1.958 1.00 3.15 C ATOM 494 NZ LYS A 45 6.845 -9.198 2.867 1.00 3.09 N ATOM 0 H LYS A 45 5.946 -2.849 1.262 1.00 0.96 H new ATOM 0 HA LYS A 45 3.453 -4.139 1.136 1.00 1.09 H new ATOM 0 HB2 LYS A 45 5.771 -4.105 3.102 1.00 1.12 H new ATOM 0 HB3 LYS A 45 4.310 -4.981 3.514 1.00 1.12 H new ATOM 0 HG2 LYS A 45 4.546 -6.207 1.252 1.00 1.99 H new ATOM 0 HG3 LYS A 45 6.132 -5.475 1.112 1.00 1.99 H new ATOM 0 HD2 LYS A 45 6.800 -6.472 3.306 1.00 1.86 H new ATOM 0 HD3 LYS A 45 5.206 -7.180 3.479 1.00 1.86 H new ATOM 0 HE2 LYS A 45 5.607 -8.460 1.320 1.00 3.15 H new ATOM 0 HE3 LYS A 45 7.243 -7.834 1.301 1.00 3.15 H new ATOM 0 HZ1 LYS A 45 7.152 -10.018 2.306 1.00 3.09 H new ATOM 0 HZ2 LYS A 45 7.634 -8.868 3.458 1.00 3.09 H new ATOM 0 HZ3 LYS A 45 6.049 -9.474 3.476 1.00 3.09 H new ATOM 508 N ASN A 46 3.479 -1.675 3.299 1.00 1.13 N ATOM 509 CA ASN A 46 2.644 -0.879 4.212 1.00 1.17 C ATOM 510 C ASN A 46 1.356 -0.383 3.532 1.00 1.23 C ATOM 511 O ASN A 46 0.321 -0.285 4.196 1.00 1.45 O ATOM 512 CB ASN A 46 3.446 0.313 4.771 1.00 1.23 C ATOM 513 CG ASN A 46 4.600 -0.056 5.690 1.00 1.16 C ATOM 514 OD1 ASN A 46 4.638 -1.116 6.296 1.00 1.10 O ATOM 515 ND2 ASN A 46 5.548 0.843 5.835 1.00 1.26 N ATOM 0 H ASN A 46 4.374 -1.236 3.085 1.00 1.13 H new ATOM 0 HA ASN A 46 2.349 -1.531 5.035 1.00 1.17 H new ATOM 0 HB2 ASN A 46 3.839 0.890 3.934 1.00 1.23 H new ATOM 0 HB3 ASN A 46 2.764 0.966 5.315 1.00 1.23 H new ATOM 0 HD21 ASN A 46 6.332 0.661 6.462 1.00 1.26 H new ATOM 0 HD22 ASN A 46 5.500 1.723 5.321 1.00 1.26 H new ATOM 522 N CYS A 47 1.392 -0.117 2.220 1.00 1.14 N ATOM 523 CA CYS A 47 0.218 0.187 1.413 1.00 1.20 C ATOM 524 C CYS A 47 -0.729 -1.013 1.316 1.00 1.29 C ATOM 525 O CYS A 47 -1.909 -0.901 1.651 1.00 1.55 O ATOM 526 CB CYS A 47 0.694 0.625 0.020 1.00 1.22 C ATOM 527 SG CYS A 47 1.988 1.893 0.011 1.00 1.76 S ATOM 0 H CYS A 47 2.260 -0.109 1.685 1.00 1.14 H new ATOM 0 HA CYS A 47 -0.347 0.990 1.886 1.00 1.20 H new ATOM 0 HB2 CYS A 47 1.063 -0.252 -0.513 1.00 1.22 H new ATOM 0 HB3 CYS A 47 -0.164 1.000 -0.538 1.00 1.22 H new ATOM 532 N ARG A 48 -0.201 -2.182 0.927 1.00 1.20 N ATOM 533 CA ARG A 48 -0.989 -3.417 0.816 1.00 1.27 C ATOM 534 C ARG A 48 -1.590 -3.847 2.150 1.00 1.15 C ATOM 535 O ARG A 48 -2.776 -4.131 2.197 1.00 1.13 O ATOM 536 CB ARG A 48 -0.152 -4.532 0.196 1.00 1.41 C ATOM 537 CG ARG A 48 0.199 -4.142 -1.244 1.00 1.91 C ATOM 538 CD ARG A 48 0.181 -5.357 -2.159 1.00 1.97 C ATOM 539 NE ARG A 48 1.250 -6.314 -1.817 1.00 2.19 N ATOM 540 CZ ARG A 48 2.150 -6.836 -2.624 1.00 3.13 C ATOM 541 NH1 ARG A 48 2.185 -6.624 -3.902 1.00 4.02 N ATOM 542 NH2 ARG A 48 3.069 -7.610 -2.140 1.00 3.76 N ATOM 0 H ARG A 48 0.782 -2.298 0.681 1.00 1.20 H new ATOM 0 HA ARG A 48 -1.829 -3.208 0.154 1.00 1.27 H new ATOM 0 HB2 ARG A 48 0.757 -4.689 0.777 1.00 1.41 H new ATOM 0 HB3 ARG A 48 -0.705 -5.471 0.209 1.00 1.41 H new ATOM 0 HG2 ARG A 48 -0.511 -3.399 -1.607 1.00 1.91 H new ATOM 0 HG3 ARG A 48 1.185 -3.679 -1.269 1.00 1.91 H new ATOM 0 HD2 ARG A 48 -0.787 -5.852 -2.087 1.00 1.97 H new ATOM 0 HD3 ARG A 48 0.298 -5.035 -3.194 1.00 1.97 H new ATOM 0 HE ARG A 48 1.298 -6.606 -0.841 1.00 2.19 H new ATOM 0 HH11 ARG A 48 1.487 -6.021 -4.338 1.00 4.02 H new ATOM 0 HH12 ARG A 48 2.910 -7.060 -4.472 1.00 4.02 H new ATOM 0 HH21 ARG A 48 3.092 -7.811 -1.140 1.00 3.76 H new ATOM 0 HH22 ARG A 48 3.770 -8.018 -2.759 1.00 3.76 H new ATOM 556 N ARG A 49 -0.819 -3.810 3.244 1.00 1.12 N ATOM 557 CA ARG A 49 -1.239 -4.219 4.601 1.00 1.04 C ATOM 558 C ARG A 49 -2.516 -3.509 5.060 1.00 0.91 C ATOM 559 O ARG A 49 -3.397 -4.166 5.625 1.00 0.82 O ATOM 560 CB ARG A 49 -0.067 -3.957 5.570 1.00 1.20 C ATOM 561 CG ARG A 49 -0.361 -4.340 7.031 1.00 1.25 C ATOM 562 CD ARG A 49 0.832 -3.995 7.931 1.00 1.65 C ATOM 563 NE ARG A 49 0.528 -4.211 9.360 1.00 2.20 N ATOM 564 CZ ARG A 49 1.413 -4.432 10.319 1.00 2.99 C ATOM 565 NH1 ARG A 49 2.692 -4.478 10.078 1.00 3.19 N ATOM 566 NH2 ARG A 49 1.036 -4.600 11.551 1.00 4.41 N ATOM 0 H ARG A 49 0.147 -3.485 3.214 1.00 1.12 H new ATOM 0 HA ARG A 49 -1.484 -5.281 4.590 1.00 1.04 H new ATOM 0 HB2 ARG A 49 0.805 -4.515 5.228 1.00 1.20 H new ATOM 0 HB3 ARG A 49 0.195 -2.900 5.529 1.00 1.20 H new ATOM 0 HG2 ARG A 49 -1.250 -3.813 7.379 1.00 1.25 H new ATOM 0 HG3 ARG A 49 -0.576 -5.407 7.097 1.00 1.25 H new ATOM 0 HD2 ARG A 49 1.689 -4.605 7.646 1.00 1.65 H new ATOM 0 HD3 ARG A 49 1.116 -2.954 7.774 1.00 1.65 H new ATOM 0 HE ARG A 49 -0.455 -4.188 9.633 1.00 2.20 H new ATOM 0 HH11 ARG A 49 3.037 -4.342 9.128 1.00 3.19 H new ATOM 0 HH12 ARG A 49 3.349 -4.650 10.839 1.00 3.19 H new ATOM 0 HH21 ARG A 49 0.045 -4.562 11.791 1.00 4.41 H new ATOM 0 HH22 ARG A 49 1.731 -4.769 12.278 1.00 4.41 H new ATOM 580 N PHE A 50 -2.660 -2.214 4.760 1.00 0.94 N ATOM 581 CA PHE A 50 -3.875 -1.464 5.091 1.00 0.83 C ATOM 582 C PHE A 50 -5.087 -2.042 4.362 1.00 0.74 C ATOM 583 O PHE A 50 -6.039 -2.519 4.979 1.00 0.60 O ATOM 584 CB PHE A 50 -3.700 0.013 4.721 1.00 0.92 C ATOM 585 CG PHE A 50 -4.943 0.834 5.009 1.00 0.84 C ATOM 586 CD1 PHE A 50 -5.275 1.186 6.332 1.00 2.00 C ATOM 587 CD2 PHE A 50 -5.813 1.185 3.958 1.00 2.05 C ATOM 588 CE1 PHE A 50 -6.474 1.871 6.600 1.00 1.99 C ATOM 589 CE2 PHE A 50 -7.014 1.861 4.225 1.00 2.05 C ATOM 590 CZ PHE A 50 -7.350 2.195 5.548 1.00 0.81 C ATOM 0 H PHE A 50 -1.946 -1.661 4.286 1.00 0.94 H new ATOM 0 HA PHE A 50 -4.045 -1.548 6.164 1.00 0.83 H new ATOM 0 HB2 PHE A 50 -2.858 0.426 5.277 1.00 0.92 H new ATOM 0 HB3 PHE A 50 -3.453 0.092 3.662 1.00 0.92 H new ATOM 0 HD1 PHE A 50 -4.608 0.930 7.142 1.00 2.00 H new ATOM 0 HD2 PHE A 50 -5.554 0.932 2.940 1.00 2.05 H new ATOM 0 HE1 PHE A 50 -6.722 2.148 7.614 1.00 1.99 H new ATOM 0 HE2 PHE A 50 -7.678 2.124 3.415 1.00 2.05 H new ATOM 0 HZ PHE A 50 -8.281 2.701 5.757 1.00 0.81 H new ATOM 600 N TRP A 51 -5.016 -2.049 3.034 1.00 0.83 N ATOM 601 CA TRP A 51 -6.128 -2.483 2.184 1.00 0.78 C ATOM 602 C TRP A 51 -6.449 -3.982 2.340 1.00 0.73 C ATOM 603 O TRP A 51 -7.620 -4.349 2.402 1.00 0.68 O ATOM 604 CB TRP A 51 -5.839 -2.059 0.743 1.00 0.83 C ATOM 605 CG TRP A 51 -5.846 -0.569 0.528 1.00 0.82 C ATOM 606 CD1 TRP A 51 -4.765 0.212 0.299 1.00 0.86 C ATOM 607 CD2 TRP A 51 -6.989 0.350 0.561 1.00 0.79 C ATOM 608 NE1 TRP A 51 -5.165 1.516 0.096 1.00 0.85 N ATOM 609 CE2 TRP A 51 -6.519 1.668 0.279 1.00 0.81 C ATOM 610 CE3 TRP A 51 -8.370 0.215 0.826 1.00 0.76 C ATOM 611 CZ2 TRP A 51 -7.364 2.783 0.229 1.00 0.82 C ATOM 612 CZ3 TRP A 51 -9.230 1.333 0.798 1.00 0.77 C ATOM 613 CH2 TRP A 51 -8.731 2.615 0.500 1.00 0.81 C ATOM 0 H TRP A 51 -4.189 -1.755 2.514 1.00 0.83 H new ATOM 0 HA TRP A 51 -7.044 -1.988 2.507 1.00 0.78 H new ATOM 0 HB2 TRP A 51 -4.867 -2.453 0.448 1.00 0.83 H new ATOM 0 HB3 TRP A 51 -6.581 -2.514 0.086 1.00 0.83 H new ATOM 0 HD1 TRP A 51 -3.742 -0.134 0.278 1.00 0.86 H new ATOM 0 HE1 TRP A 51 -4.533 2.275 -0.159 1.00 0.85 H new ATOM 0 HE3 TRP A 51 -8.774 -0.760 1.054 1.00 0.76 H new ATOM 0 HZ2 TRP A 51 -6.970 3.759 -0.015 1.00 0.82 H new ATOM 0 HZ3 TRP A 51 -10.282 1.204 1.007 1.00 0.77 H new ATOM 0 HH2 TRP A 51 -9.397 3.465 0.480 1.00 0.81 H new ATOM 624 N ASN A 52 -5.439 -4.830 2.548 1.00 0.75 N ATOM 625 CA ASN A 52 -5.565 -6.230 2.942 1.00 0.71 C ATOM 626 C ASN A 52 -6.296 -6.380 4.291 1.00 0.60 C ATOM 627 O ASN A 52 -7.157 -7.249 4.438 1.00 0.58 O ATOM 628 CB ASN A 52 -4.141 -6.812 3.020 1.00 0.90 C ATOM 629 CG ASN A 52 -3.464 -7.055 1.675 1.00 1.32 C ATOM 630 OD1 ASN A 52 -3.977 -6.763 0.603 1.00 1.93 O ATOM 631 ND2 ASN A 52 -2.272 -7.598 1.699 1.00 1.35 N ATOM 0 H ASN A 52 -4.466 -4.543 2.440 1.00 0.75 H new ATOM 0 HA ASN A 52 -6.164 -6.771 2.209 1.00 0.71 H new ATOM 0 HB2 ASN A 52 -3.520 -6.133 3.604 1.00 0.90 H new ATOM 0 HB3 ASN A 52 -4.181 -7.755 3.564 1.00 0.90 H new ATOM 0 HD21 ASN A 52 -1.775 -7.776 0.826 1.00 1.35 H new ATOM 0 HD22 ASN A 52 -1.841 -7.843 2.590 1.00 1.35 H new ATOM 638 N SER A 53 -6.019 -5.499 5.262 1.00 0.57 N ATOM 639 CA SER A 53 -6.761 -5.466 6.529 1.00 0.52 C ATOM 640 C SER A 53 -8.224 -5.036 6.334 1.00 0.47 C ATOM 641 O SER A 53 -9.107 -5.670 6.906 1.00 0.51 O ATOM 642 CB SER A 53 -6.055 -4.593 7.575 1.00 0.54 C ATOM 643 OG SER A 53 -4.717 -5.038 7.772 1.00 1.31 O ATOM 0 H SER A 53 -5.283 -4.797 5.193 1.00 0.57 H new ATOM 0 HA SER A 53 -6.778 -6.487 6.910 1.00 0.52 H new ATOM 0 HB2 SER A 53 -6.055 -3.553 7.249 1.00 0.54 H new ATOM 0 HB3 SER A 53 -6.600 -4.632 8.518 1.00 0.54 H new ATOM 0 HG SER A 53 -4.133 -4.624 7.103 1.00 1.31 H new ATOM 649 N ILE A 54 -8.528 -4.054 5.470 1.00 0.48 N ATOM 650 CA ILE A 54 -9.921 -3.702 5.118 1.00 0.55 C ATOM 651 C ILE A 54 -10.642 -4.903 4.485 1.00 0.58 C ATOM 652 O ILE A 54 -11.766 -5.235 4.870 1.00 0.69 O ATOM 653 CB ILE A 54 -9.959 -2.462 4.192 1.00 0.66 C ATOM 654 CG1 ILE A 54 -9.316 -1.209 4.831 1.00 0.62 C ATOM 655 CG2 ILE A 54 -11.391 -2.137 3.726 1.00 0.86 C ATOM 656 CD1 ILE A 54 -9.973 -0.707 6.126 1.00 0.63 C ATOM 0 H ILE A 54 -7.826 -3.484 4.998 1.00 0.48 H new ATOM 0 HA ILE A 54 -10.453 -3.443 6.034 1.00 0.55 H new ATOM 0 HB ILE A 54 -9.359 -2.732 3.323 1.00 0.66 H new ATOM 0 HG12 ILE A 54 -8.268 -1.427 5.038 1.00 0.62 H new ATOM 0 HG13 ILE A 54 -9.335 -0.401 4.100 1.00 0.62 H new ATOM 0 HG21 ILE A 54 -11.373 -1.260 3.078 1.00 0.86 H new ATOM 0 HG22 ILE A 54 -11.796 -2.986 3.176 1.00 0.86 H new ATOM 0 HG23 ILE A 54 -12.019 -1.934 4.594 1.00 0.86 H new ATOM 0 HD11 ILE A 54 -9.442 0.174 6.486 1.00 0.63 H new ATOM 0 HD12 ILE A 54 -11.013 -0.448 5.930 1.00 0.63 H new ATOM 0 HD13 ILE A 54 -9.931 -1.490 6.883 1.00 0.63 H new ATOM 668 N VAL A 55 -9.973 -5.624 3.581 1.00 0.54 N ATOM 669 CA VAL A 55 -10.494 -6.857 2.976 1.00 0.56 C ATOM 670 C VAL A 55 -10.799 -7.915 4.034 1.00 0.57 C ATOM 671 O VAL A 55 -11.884 -8.482 3.999 1.00 0.66 O ATOM 672 CB VAL A 55 -9.533 -7.368 1.890 1.00 0.58 C ATOM 673 CG1 VAL A 55 -9.815 -8.802 1.427 1.00 0.62 C ATOM 674 CG2 VAL A 55 -9.648 -6.441 0.680 1.00 0.76 C ATOM 0 H VAL A 55 -9.045 -5.367 3.244 1.00 0.54 H new ATOM 0 HA VAL A 55 -11.444 -6.631 2.491 1.00 0.56 H new ATOM 0 HB VAL A 55 -8.535 -7.372 2.327 1.00 0.58 H new ATOM 0 HG11 VAL A 55 -9.093 -9.086 0.661 1.00 0.62 H new ATOM 0 HG12 VAL A 55 -9.730 -9.482 2.275 1.00 0.62 H new ATOM 0 HG13 VAL A 55 -10.823 -8.860 1.015 1.00 0.62 H new ATOM 0 HG21 VAL A 55 -8.975 -6.783 -0.106 1.00 0.76 H new ATOM 0 HG22 VAL A 55 -10.673 -6.452 0.309 1.00 0.76 H new ATOM 0 HG23 VAL A 55 -9.379 -5.426 0.972 1.00 0.76 H new ATOM 684 N MET A 56 -9.940 -8.124 5.037 1.00 0.57 N ATOM 685 CA MET A 56 -10.253 -9.013 6.170 1.00 0.68 C ATOM 686 C MET A 56 -11.456 -8.526 7.002 1.00 0.72 C ATOM 687 O MET A 56 -12.309 -9.329 7.387 1.00 0.83 O ATOM 688 CB MET A 56 -9.020 -9.176 7.072 1.00 0.72 C ATOM 689 CG MET A 56 -7.872 -9.967 6.431 1.00 0.87 C ATOM 690 SD MET A 56 -7.895 -11.772 6.661 1.00 1.57 S ATOM 691 CE MET A 56 -9.149 -12.325 5.473 1.00 2.33 C ATOM 0 H MET A 56 -9.019 -7.690 5.091 1.00 0.57 H new ATOM 0 HA MET A 56 -10.531 -9.978 5.745 1.00 0.68 H new ATOM 0 HB2 MET A 56 -8.654 -8.188 7.350 1.00 0.72 H new ATOM 0 HB3 MET A 56 -9.321 -9.676 7.993 1.00 0.72 H new ATOM 0 HG2 MET A 56 -7.872 -9.760 5.361 1.00 0.87 H new ATOM 0 HG3 MET A 56 -6.932 -9.585 6.829 1.00 0.87 H new ATOM 0 HE1 MET A 56 -8.944 -13.355 5.181 1.00 2.33 H new ATOM 0 HE2 MET A 56 -10.136 -12.267 5.932 1.00 2.33 H new ATOM 0 HE3 MET A 56 -9.121 -11.685 4.591 1.00 2.33 H new ATOM 701 N GLN A 57 -11.578 -7.217 7.228 1.00 0.66 N ATOM 702 CA GLN A 57 -12.681 -6.604 7.987 1.00 0.76 C ATOM 703 C GLN A 57 -13.998 -6.536 7.189 1.00 0.81 C ATOM 704 O GLN A 57 -15.052 -6.276 7.773 1.00 0.91 O ATOM 705 CB GLN A 57 -12.274 -5.219 8.529 1.00 0.80 C ATOM 706 CG GLN A 57 -11.120 -5.233 9.552 1.00 0.82 C ATOM 707 CD GLN A 57 -11.384 -6.123 10.762 1.00 1.02 C ATOM 708 OE1 GLN A 57 -12.390 -6.000 11.449 1.00 1.57 O ATOM 709 NE2 GLN A 57 -10.500 -7.046 11.064 1.00 1.24 N ATOM 0 H GLN A 57 -10.902 -6.535 6.884 1.00 0.66 H new ATOM 0 HA GLN A 57 -12.878 -7.259 8.836 1.00 0.76 H new ATOM 0 HB2 GLN A 57 -11.987 -4.587 7.689 1.00 0.80 H new ATOM 0 HB3 GLN A 57 -13.145 -4.757 8.993 1.00 0.80 H new ATOM 0 HG2 GLN A 57 -10.210 -5.570 9.055 1.00 0.82 H new ATOM 0 HG3 GLN A 57 -10.937 -4.214 9.894 1.00 0.82 H new ATOM 0 HE21 GLN A 57 -9.660 -7.153 10.495 1.00 1.24 H new ATOM 0 HE22 GLN A 57 -10.653 -7.656 11.867 1.00 1.24 H new ATOM 718 N ARG A 58 -13.962 -6.805 5.877 1.00 0.85 N ATOM 719 CA ARG A 58 -15.137 -7.101 5.032 1.00 0.98 C ATOM 720 C ARG A 58 -15.429 -8.596 4.889 1.00 1.06 C ATOM 721 O ARG A 58 -16.578 -9.039 4.963 1.00 1.32 O ATOM 722 CB ARG A 58 -14.933 -6.451 3.659 1.00 0.99 C ATOM 723 CG ARG A 58 -15.021 -4.924 3.743 1.00 1.07 C ATOM 724 CD ARG A 58 -14.701 -4.297 2.386 1.00 1.14 C ATOM 725 NE ARG A 58 -15.270 -2.950 2.304 1.00 1.11 N ATOM 726 CZ ARG A 58 -15.771 -2.387 1.226 1.00 1.96 C ATOM 727 NH1 ARG A 58 -15.509 -2.794 0.015 1.00 3.89 N ATOM 728 NH2 ARG A 58 -16.606 -1.407 1.343 1.00 1.87 N ATOM 0 H ARG A 58 -13.087 -6.824 5.353 1.00 0.85 H new ATOM 0 HA ARG A 58 -16.013 -6.682 5.527 1.00 0.98 H new ATOM 0 HB2 ARG A 58 -13.961 -6.739 3.260 1.00 0.99 H new ATOM 0 HB3 ARG A 58 -15.686 -6.822 2.964 1.00 0.99 H new ATOM 0 HG2 ARG A 58 -16.021 -4.628 4.061 1.00 1.07 H new ATOM 0 HG3 ARG A 58 -14.324 -4.554 4.495 1.00 1.07 H new ATOM 0 HD2 ARG A 58 -13.621 -4.253 2.243 1.00 1.14 H new ATOM 0 HD3 ARG A 58 -15.103 -4.919 1.586 1.00 1.14 H new ATOM 0 HE ARG A 58 -15.279 -2.398 3.162 1.00 1.11 H new ATOM 0 HH11 ARG A 58 -14.886 -3.588 -0.133 1.00 3.89 H new ATOM 0 HH12 ARG A 58 -15.927 -2.318 -0.785 1.00 3.89 H new ATOM 0 HH21 ARG A 58 -16.874 -1.073 2.269 1.00 1.87 H new ATOM 0 HH22 ARG A 58 -16.997 -0.968 0.510 1.00 1.87 H new ATOM 742 N ARG A 59 -14.383 -9.407 4.736 1.00 0.90 N ATOM 743 CA ARG A 59 -14.495 -10.851 4.448 1.00 0.95 C ATOM 744 C ARG A 59 -15.132 -11.630 5.603 1.00 1.15 C ATOM 745 O ARG A 59 -15.734 -12.677 5.358 1.00 1.24 O ATOM 746 CB ARG A 59 -13.138 -11.397 3.953 1.00 0.88 C ATOM 747 CG ARG A 59 -13.191 -12.877 3.536 1.00 1.02 C ATOM 748 CD ARG A 59 -11.970 -13.313 2.708 1.00 1.08 C ATOM 749 NE ARG A 59 -11.975 -14.774 2.480 1.00 1.49 N ATOM 750 CZ ARG A 59 -11.059 -15.500 1.860 1.00 1.92 C ATOM 751 NH1 ARG A 59 -10.049 -14.977 1.231 1.00 2.02 N ATOM 752 NH2 ARG A 59 -11.132 -16.799 1.862 1.00 2.51 N ATOM 0 H ARG A 59 -13.418 -9.083 4.808 1.00 0.90 H new ATOM 0 HA ARG A 59 -15.198 -11.002 3.628 1.00 0.95 H new ATOM 0 HB2 ARG A 59 -12.802 -10.800 3.105 1.00 0.88 H new ATOM 0 HB3 ARG A 59 -12.396 -11.276 4.742 1.00 0.88 H new ATOM 0 HG2 ARG A 59 -13.258 -13.498 4.429 1.00 1.02 H new ATOM 0 HG3 ARG A 59 -14.097 -13.053 2.957 1.00 1.02 H new ATOM 0 HD2 ARG A 59 -11.972 -12.792 1.750 1.00 1.08 H new ATOM 0 HD3 ARG A 59 -11.055 -13.026 3.225 1.00 1.08 H new ATOM 0 HE ARG A 59 -12.781 -15.283 2.844 1.00 1.49 H new ATOM 0 HH11 ARG A 59 -9.936 -13.964 1.200 1.00 2.02 H new ATOM 0 HH12 ARG A 59 -9.369 -15.580 0.768 1.00 2.02 H new ATOM 0 HH21 ARG A 59 -11.900 -17.266 2.344 1.00 2.51 H new ATOM 0 HH22 ARG A 59 -10.421 -17.350 1.381 1.00 2.51 H new ATOM 766 N LYS A 60 -15.156 -11.053 6.812 1.00 1.23 N ATOM 767 CA LYS A 60 -15.891 -11.553 7.985 1.00 1.44 C ATOM 768 C LYS A 60 -17.396 -11.778 7.772 1.00 1.55 C ATOM 769 O LYS A 60 -17.982 -12.575 8.507 1.00 1.69 O ATOM 770 CB LYS A 60 -15.652 -10.607 9.173 1.00 1.54 C ATOM 771 CG LYS A 60 -16.369 -9.253 9.091 1.00 1.56 C ATOM 772 CD LYS A 60 -16.074 -8.446 10.355 1.00 1.75 C ATOM 773 CE LYS A 60 -16.804 -7.099 10.367 1.00 1.79 C ATOM 774 NZ LYS A 60 -16.693 -6.429 11.685 1.00 2.21 N ATOM 0 H LYS A 60 -14.645 -10.192 7.009 1.00 1.23 H new ATOM 0 HA LYS A 60 -15.492 -12.547 8.185 1.00 1.44 H new ATOM 0 HB2 LYS A 60 -15.968 -11.111 10.086 1.00 1.54 H new ATOM 0 HB3 LYS A 60 -14.581 -10.427 9.262 1.00 1.54 H new ATOM 0 HG2 LYS A 60 -16.035 -8.705 8.210 1.00 1.56 H new ATOM 0 HG3 LYS A 60 -17.443 -9.404 8.985 1.00 1.56 H new ATOM 0 HD2 LYS A 60 -16.369 -9.025 11.230 1.00 1.75 H new ATOM 0 HD3 LYS A 60 -15.000 -8.276 10.433 1.00 1.75 H new ATOM 0 HE2 LYS A 60 -16.389 -6.453 9.594 1.00 1.79 H new ATOM 0 HE3 LYS A 60 -17.855 -7.252 10.124 1.00 1.79 H new ATOM 0 HZ1 LYS A 60 -17.199 -5.521 11.656 1.00 2.21 H new ATOM 0 HZ2 LYS A 60 -17.112 -7.035 12.419 1.00 2.21 H new ATOM 0 HZ3 LYS A 60 -15.691 -6.260 11.905 1.00 2.21 H new ATOM 788 N ASN A 61 -18.023 -11.081 6.816 1.00 1.52 N ATOM 789 CA ASN A 61 -19.445 -11.242 6.473 1.00 1.65 C ATOM 790 C ASN A 61 -19.703 -12.095 5.207 1.00 1.50 C ATOM 791 O ASN A 61 -20.820 -12.584 5.012 1.00 1.62 O ATOM 792 CB ASN A 61 -20.091 -9.860 6.377 1.00 1.83 C ATOM 793 CG ASN A 61 -20.137 -9.185 7.731 1.00 2.16 C ATOM 794 OD1 ASN A 61 -20.813 -9.603 8.660 1.00 2.61 O ATOM 795 ND2 ASN A 61 -19.345 -8.169 7.911 1.00 2.10 N ATOM 0 H ASN A 61 -17.550 -10.377 6.249 1.00 1.52 H new ATOM 0 HA ASN A 61 -19.912 -11.815 7.274 1.00 1.65 H new ATOM 0 HB2 ASN A 61 -19.530 -9.241 5.677 1.00 1.83 H new ATOM 0 HB3 ASN A 61 -21.102 -9.954 5.980 1.00 1.83 H new ATOM 0 HD21 ASN A 61 -19.289 -7.722 8.826 1.00 2.10 H new ATOM 0 HD22 ASN A 61 -18.780 -7.819 7.137 1.00 2.10 H new ATOM 802 N GLY A 62 -18.688 -12.274 4.348 1.00 1.27 N ATOM 803 CA GLY A 62 -18.704 -13.181 3.184 1.00 1.15 C ATOM 804 C GLY A 62 -19.559 -12.753 1.977 1.00 1.21 C ATOM 805 O GLY A 62 -19.853 -13.587 1.113 1.00 1.27 O ATOM 0 H GLY A 62 -17.803 -11.776 4.445 1.00 1.27 H new ATOM 0 HA2 GLY A 62 -17.677 -13.312 2.842 1.00 1.15 H new ATOM 0 HA3 GLY A 62 -19.056 -14.157 3.519 1.00 1.15 H new ATOM 809 N VAL A 63 -20.006 -11.492 1.921 1.00 1.31 N ATOM 810 CA VAL A 63 -21.258 -11.096 1.229 1.00 1.56 C ATOM 811 C VAL A 63 -21.120 -10.112 0.050 1.00 1.53 C ATOM 812 O VAL A 63 -21.900 -10.191 -0.901 1.00 1.83 O ATOM 813 CB VAL A 63 -22.239 -10.564 2.294 1.00 1.84 C ATOM 814 CG1 VAL A 63 -21.730 -9.289 2.983 1.00 1.76 C ATOM 815 CG2 VAL A 63 -23.644 -10.316 1.743 1.00 2.23 C ATOM 0 H VAL A 63 -19.515 -10.709 2.353 1.00 1.31 H new ATOM 0 HA VAL A 63 -21.631 -11.995 0.737 1.00 1.56 H new ATOM 0 HB VAL A 63 -22.299 -11.361 3.035 1.00 1.84 H new ATOM 0 HG11 VAL A 63 -22.460 -8.959 3.722 1.00 1.76 H new ATOM 0 HG12 VAL A 63 -20.781 -9.497 3.477 1.00 1.76 H new ATOM 0 HG13 VAL A 63 -21.588 -8.505 2.239 1.00 1.76 H new ATOM 0 HG21 VAL A 63 -24.287 -9.943 2.540 1.00 2.23 H new ATOM 0 HG22 VAL A 63 -23.596 -9.579 0.941 1.00 2.23 H new ATOM 0 HG23 VAL A 63 -24.052 -11.249 1.354 1.00 2.23 H new ATOM 825 N LYS A 64 -20.143 -9.203 0.093 1.00 1.36 N ATOM 826 CA LYS A 64 -19.899 -8.107 -0.868 1.00 1.37 C ATOM 827 C LYS A 64 -18.549 -8.272 -1.587 1.00 1.27 C ATOM 828 O LYS A 64 -17.712 -9.007 -1.062 1.00 1.22 O ATOM 829 CB LYS A 64 -19.959 -6.775 -0.094 1.00 1.40 C ATOM 830 CG LYS A 64 -19.004 -6.699 1.114 1.00 1.38 C ATOM 831 CD LYS A 64 -18.498 -5.280 1.407 1.00 1.41 C ATOM 832 CE LYS A 64 -19.587 -4.207 1.604 1.00 1.57 C ATOM 833 NZ LYS A 64 -20.493 -4.499 2.744 1.00 2.68 N ATOM 0 H LYS A 64 -19.454 -9.207 0.845 1.00 1.36 H new ATOM 0 HA LYS A 64 -20.663 -8.124 -1.645 1.00 1.37 H new ATOM 0 HB2 LYS A 64 -19.725 -5.960 -0.779 1.00 1.40 H new ATOM 0 HB3 LYS A 64 -20.980 -6.616 0.254 1.00 1.40 H new ATOM 0 HG2 LYS A 64 -19.516 -7.083 1.996 1.00 1.38 H new ATOM 0 HG3 LYS A 64 -18.149 -7.351 0.933 1.00 1.38 H new ATOM 0 HD2 LYS A 64 -17.880 -5.313 2.305 1.00 1.41 H new ATOM 0 HD3 LYS A 64 -17.852 -4.968 0.587 1.00 1.41 H new ATOM 0 HE2 LYS A 64 -19.111 -3.240 1.765 1.00 1.57 H new ATOM 0 HE3 LYS A 64 -20.177 -4.124 0.691 1.00 1.57 H new ATOM 0 HZ1 LYS A 64 -21.203 -3.743 2.826 1.00 2.68 H new ATOM 0 HZ2 LYS A 64 -20.972 -5.408 2.583 1.00 2.68 H new ATOM 0 HZ3 LYS A 64 -19.939 -4.551 3.623 1.00 2.68 H new ATOM 847 N PRO A 65 -18.260 -7.561 -2.697 1.00 1.31 N ATOM 848 CA PRO A 65 -16.892 -7.500 -3.198 1.00 1.24 C ATOM 849 C PRO A 65 -16.019 -6.752 -2.182 1.00 1.01 C ATOM 850 O PRO A 65 -16.267 -5.586 -1.855 1.00 1.00 O ATOM 851 CB PRO A 65 -16.976 -6.818 -4.564 1.00 1.42 C ATOM 852 CG PRO A 65 -18.220 -5.938 -4.459 1.00 1.47 C ATOM 853 CD PRO A 65 -19.132 -6.705 -3.501 1.00 1.46 C ATOM 0 HA PRO A 65 -16.427 -8.478 -3.321 1.00 1.24 H new ATOM 0 HB2 PRO A 65 -16.084 -6.226 -4.771 1.00 1.42 H new ATOM 0 HB3 PRO A 65 -17.069 -7.547 -5.369 1.00 1.42 H new ATOM 0 HG2 PRO A 65 -17.978 -4.948 -4.073 1.00 1.47 H new ATOM 0 HG3 PRO A 65 -18.692 -5.795 -5.431 1.00 1.47 H new ATOM 0 HD2 PRO A 65 -19.694 -6.019 -2.867 1.00 1.46 H new ATOM 0 HD3 PRO A 65 -19.860 -7.300 -4.051 1.00 1.46 H new ATOM 861 N PHE A 66 -15.029 -7.458 -1.631 1.00 0.92 N ATOM 862 CA PHE A 66 -14.214 -6.980 -0.517 1.00 0.79 C ATOM 863 C PHE A 66 -13.273 -5.851 -0.947 1.00 0.79 C ATOM 864 O PHE A 66 -13.345 -4.763 -0.371 1.00 0.98 O ATOM 865 CB PHE A 66 -13.438 -8.142 0.128 1.00 0.83 C ATOM 866 CG PHE A 66 -14.228 -9.406 0.429 1.00 0.84 C ATOM 867 CD1 PHE A 66 -15.468 -9.342 1.093 1.00 2.22 C ATOM 868 CD2 PHE A 66 -13.727 -10.658 0.020 1.00 1.85 C ATOM 869 CE1 PHE A 66 -16.211 -10.514 1.326 1.00 2.19 C ATOM 870 CE2 PHE A 66 -14.464 -11.832 0.261 1.00 1.96 C ATOM 871 CZ PHE A 66 -15.708 -11.759 0.911 1.00 1.00 C ATOM 0 H PHE A 66 -14.769 -8.391 -1.952 1.00 0.92 H new ATOM 0 HA PHE A 66 -14.888 -6.566 0.233 1.00 0.79 H new ATOM 0 HB2 PHE A 66 -12.611 -8.406 -0.531 1.00 0.83 H new ATOM 0 HB3 PHE A 66 -13.001 -7.784 1.060 1.00 0.83 H new ATOM 0 HD1 PHE A 66 -15.851 -8.388 1.425 1.00 2.22 H new ATOM 0 HD2 PHE A 66 -12.772 -10.717 -0.481 1.00 1.85 H new ATOM 0 HE1 PHE A 66 -17.168 -10.457 1.824 1.00 2.19 H new ATOM 0 HE2 PHE A 66 -14.074 -12.789 -0.053 1.00 1.96 H new ATOM 0 HZ PHE A 66 -16.277 -12.659 1.091 1.00 1.00 H new ATOM 881 N MET A 67 -12.441 -6.092 -1.969 1.00 0.76 N ATOM 882 CA MET A 67 -11.518 -5.114 -2.557 1.00 0.74 C ATOM 883 C MET A 67 -12.285 -3.866 -3.031 1.00 0.73 C ATOM 884 O MET A 67 -13.061 -3.955 -3.993 1.00 0.81 O ATOM 885 CB MET A 67 -10.741 -5.741 -3.729 1.00 0.87 C ATOM 886 CG MET A 67 -9.501 -6.504 -3.253 1.00 0.92 C ATOM 887 SD MET A 67 -8.224 -5.432 -2.527 1.00 0.89 S ATOM 888 CE MET A 67 -6.978 -6.677 -2.103 1.00 1.01 C ATOM 0 H MET A 67 -12.391 -7.004 -2.424 1.00 0.76 H new ATOM 0 HA MET A 67 -10.804 -4.812 -1.790 1.00 0.74 H new ATOM 0 HB2 MET A 67 -11.396 -6.419 -4.277 1.00 0.87 H new ATOM 0 HB3 MET A 67 -10.440 -4.958 -4.425 1.00 0.87 H new ATOM 0 HG2 MET A 67 -9.803 -7.247 -2.515 1.00 0.92 H new ATOM 0 HG3 MET A 67 -9.073 -7.047 -4.096 1.00 0.92 H new ATOM 0 HE1 MET A 67 -6.313 -6.280 -1.336 1.00 1.01 H new ATOM 0 HE2 MET A 67 -7.472 -7.573 -1.726 1.00 1.01 H new ATOM 0 HE3 MET A 67 -6.398 -6.929 -2.991 1.00 1.01 H new ATOM 898 N PRO A 68 -12.108 -2.702 -2.374 1.00 0.69 N ATOM 899 CA PRO A 68 -13.009 -1.571 -2.538 1.00 0.72 C ATOM 900 C PRO A 68 -12.940 -0.936 -3.934 1.00 0.81 C ATOM 901 O PRO A 68 -11.867 -0.758 -4.523 1.00 0.88 O ATOM 902 CB PRO A 68 -12.683 -0.595 -1.402 1.00 0.70 C ATOM 903 CG PRO A 68 -11.264 -0.964 -0.979 1.00 0.66 C ATOM 904 CD PRO A 68 -11.179 -2.456 -1.279 1.00 0.66 C ATOM 0 HA PRO A 68 -14.048 -1.895 -2.472 1.00 0.72 H new ATOM 0 HB2 PRO A 68 -12.741 0.440 -1.739 1.00 0.70 H new ATOM 0 HB3 PRO A 68 -13.384 -0.700 -0.574 1.00 0.70 H new ATOM 0 HG2 PRO A 68 -10.519 -0.399 -1.539 1.00 0.66 H new ATOM 0 HG3 PRO A 68 -11.094 -0.757 0.077 1.00 0.66 H new ATOM 0 HD2 PRO A 68 -10.164 -2.740 -1.558 1.00 0.66 H new ATOM 0 HD3 PRO A 68 -11.446 -3.046 -0.402 1.00 0.66 H new ATOM 912 N THR A 69 -14.122 -0.588 -4.438 1.00 0.91 N ATOM 913 CA THR A 69 -14.383 0.168 -5.663 1.00 1.03 C ATOM 914 C THR A 69 -14.185 1.672 -5.422 1.00 1.08 C ATOM 915 O THR A 69 -13.990 2.106 -4.287 1.00 1.03 O ATOM 916 CB THR A 69 -15.792 -0.173 -6.207 1.00 1.21 C ATOM 917 OG1 THR A 69 -16.816 0.257 -5.332 1.00 1.33 O ATOM 918 CG2 THR A 69 -16.027 -1.674 -6.416 1.00 1.28 C ATOM 0 H THR A 69 -14.988 -0.846 -3.966 1.00 0.91 H new ATOM 0 HA THR A 69 -13.664 -0.121 -6.430 1.00 1.03 H new ATOM 0 HB THR A 69 -15.829 0.348 -7.164 1.00 1.21 H new ATOM 0 HG1 THR A 69 -16.822 -0.309 -4.532 1.00 1.33 H new ATOM 0 HG21 THR A 69 -17.035 -1.835 -6.798 1.00 1.28 H new ATOM 0 HG22 THR A 69 -15.301 -2.060 -7.132 1.00 1.28 H new ATOM 0 HG23 THR A 69 -15.912 -2.196 -5.466 1.00 1.28 H new ATOM 926 N ALA A 70 -14.191 2.488 -6.476 1.00 1.23 N ATOM 927 CA ALA A 70 -13.687 3.870 -6.433 1.00 1.34 C ATOM 928 C ALA A 70 -14.318 4.771 -5.343 1.00 1.34 C ATOM 929 O ALA A 70 -13.589 5.468 -4.626 1.00 1.34 O ATOM 930 CB ALA A 70 -13.858 4.481 -7.828 1.00 1.53 C ATOM 0 H ALA A 70 -14.547 2.212 -7.391 1.00 1.23 H new ATOM 0 HA ALA A 70 -12.637 3.819 -6.146 1.00 1.34 H new ATOM 0 HB1 ALA A 70 -13.491 5.507 -7.823 1.00 1.53 H new ATOM 0 HB2 ALA A 70 -13.291 3.897 -8.553 1.00 1.53 H new ATOM 0 HB3 ALA A 70 -14.913 4.474 -8.101 1.00 1.53 H new ATOM 936 N ALA A 71 -15.644 4.734 -5.165 1.00 1.38 N ATOM 937 CA ALA A 71 -16.329 5.533 -4.141 1.00 1.41 C ATOM 938 C ALA A 71 -16.115 4.989 -2.713 1.00 1.28 C ATOM 939 O ALA A 71 -16.145 5.749 -1.741 1.00 1.32 O ATOM 940 CB ALA A 71 -17.819 5.605 -4.494 1.00 1.52 C ATOM 0 H ALA A 71 -16.270 4.153 -5.723 1.00 1.38 H new ATOM 0 HA ALA A 71 -15.897 6.534 -4.138 1.00 1.41 H new ATOM 0 HB1 ALA A 71 -18.343 6.196 -3.742 1.00 1.52 H new ATOM 0 HB2 ALA A 71 -17.939 6.072 -5.471 1.00 1.52 H new ATOM 0 HB3 ALA A 71 -18.236 4.598 -4.520 1.00 1.52 H new ATOM 946 N GLU A 72 -15.849 3.685 -2.579 1.00 1.15 N ATOM 947 CA GLU A 72 -15.497 3.048 -1.320 1.00 1.04 C ATOM 948 C GLU A 72 -14.081 3.478 -0.940 1.00 0.96 C ATOM 949 O GLU A 72 -13.885 4.019 0.145 1.00 0.96 O ATOM 950 CB GLU A 72 -15.624 1.520 -1.431 1.00 0.98 C ATOM 951 CG GLU A 72 -17.019 1.072 -1.883 1.00 1.16 C ATOM 952 CD GLU A 72 -17.061 -0.445 -2.048 1.00 1.77 C ATOM 953 OE1 GLU A 72 -16.496 -0.952 -3.037 1.00 2.46 O ATOM 954 OE2 GLU A 72 -17.618 -1.146 -1.172 1.00 2.34 O ATOM 0 H GLU A 72 -15.875 3.035 -3.365 1.00 1.15 H new ATOM 0 HA GLU A 72 -16.184 3.361 -0.534 1.00 1.04 H new ATOM 0 HB2 GLU A 72 -14.881 1.148 -2.137 1.00 0.98 H new ATOM 0 HB3 GLU A 72 -15.398 1.070 -0.464 1.00 0.98 H new ATOM 0 HG2 GLU A 72 -17.764 1.386 -1.152 1.00 1.16 H new ATOM 0 HG3 GLU A 72 -17.275 1.554 -2.826 1.00 1.16 H new ATOM 961 N ARG A 73 -13.110 3.353 -1.862 1.00 0.95 N ATOM 962 CA ARG A 73 -11.753 3.899 -1.681 1.00 0.98 C ATOM 963 C ARG A 73 -11.775 5.378 -1.294 1.00 1.12 C ATOM 964 O ARG A 73 -11.019 5.763 -0.406 1.00 1.12 O ATOM 965 CB ARG A 73 -10.900 3.692 -2.948 1.00 1.00 C ATOM 966 CG ARG A 73 -10.335 2.265 -3.041 1.00 1.34 C ATOM 967 CD ARG A 73 -9.518 2.024 -4.319 1.00 1.49 C ATOM 968 NE ARG A 73 -8.423 2.993 -4.509 1.00 1.82 N ATOM 969 CZ ARG A 73 -7.242 3.006 -3.916 1.00 2.44 C ATOM 970 NH1 ARG A 73 -6.839 2.095 -3.081 1.00 3.34 N ATOM 971 NH2 ARG A 73 -6.400 3.966 -4.144 1.00 3.38 N ATOM 0 H ARG A 73 -13.243 2.872 -2.751 1.00 0.95 H new ATOM 0 HA ARG A 73 -11.299 3.348 -0.857 1.00 0.98 H new ATOM 0 HB2 ARG A 73 -11.506 3.899 -3.830 1.00 1.00 H new ATOM 0 HB3 ARG A 73 -10.078 4.407 -2.951 1.00 1.00 H new ATOM 0 HG2 ARG A 73 -9.705 2.072 -2.172 1.00 1.34 H new ATOM 0 HG3 ARG A 73 -11.158 1.551 -3.003 1.00 1.34 H new ATOM 0 HD2 ARG A 73 -9.101 1.017 -4.289 1.00 1.49 H new ATOM 0 HD3 ARG A 73 -10.185 2.068 -5.180 1.00 1.49 H new ATOM 0 HE ARG A 73 -8.598 3.743 -5.178 1.00 1.82 H new ATOM 0 HH11 ARG A 73 -7.448 1.310 -2.849 1.00 3.34 H new ATOM 0 HH12 ARG A 73 -5.914 2.165 -2.658 1.00 3.34 H new ATOM 0 HH21 ARG A 73 -6.647 4.719 -4.786 1.00 3.38 H new ATOM 0 HH22 ARG A 73 -5.491 3.967 -3.682 1.00 3.38 H new ATOM 985 N ASP A 74 -12.665 6.179 -1.886 1.00 1.24 N ATOM 986 CA ASP A 74 -12.833 7.590 -1.523 1.00 1.37 C ATOM 987 C ASP A 74 -13.296 7.769 -0.070 1.00 1.31 C ATOM 988 O ASP A 74 -12.618 8.463 0.696 1.00 1.34 O ATOM 989 CB ASP A 74 -13.811 8.269 -2.495 1.00 1.53 C ATOM 990 CG ASP A 74 -14.087 9.729 -2.122 1.00 1.75 C ATOM 991 OD1 ASP A 74 -13.244 10.598 -2.447 1.00 1.73 O ATOM 992 OD2 ASP A 74 -15.130 10.008 -1.492 1.00 2.80 O ATOM 0 H ASP A 74 -13.290 5.868 -2.630 1.00 1.24 H new ATOM 0 HA ASP A 74 -11.857 8.069 -1.602 1.00 1.37 H new ATOM 0 HB2 ASP A 74 -13.404 8.226 -3.505 1.00 1.53 H new ATOM 0 HB3 ASP A 74 -14.750 7.716 -2.506 1.00 1.53 H new ATOM 997 N GLU A 75 -14.408 7.135 0.331 1.00 1.27 N ATOM 998 CA GLU A 75 -14.912 7.279 1.703 1.00 1.27 C ATOM 999 C GLU A 75 -13.990 6.660 2.764 1.00 1.13 C ATOM 1000 O GLU A 75 -13.939 7.152 3.891 1.00 1.14 O ATOM 1001 CB GLU A 75 -16.367 6.804 1.844 1.00 1.32 C ATOM 1002 CG GLU A 75 -16.618 5.287 1.846 1.00 1.25 C ATOM 1003 CD GLU A 75 -18.041 4.974 2.346 1.00 1.37 C ATOM 1004 OE1 GLU A 75 -18.368 5.327 3.509 1.00 2.13 O ATOM 1005 OE2 GLU A 75 -18.872 4.411 1.589 1.00 2.26 O ATOM 0 H GLU A 75 -14.968 6.526 -0.266 1.00 1.27 H new ATOM 0 HA GLU A 75 -14.908 8.350 1.904 1.00 1.27 H new ATOM 0 HB2 GLU A 75 -16.767 7.213 2.772 1.00 1.32 H new ATOM 0 HB3 GLU A 75 -16.944 7.240 1.029 1.00 1.32 H new ATOM 0 HG2 GLU A 75 -16.485 4.889 0.840 1.00 1.25 H new ATOM 0 HG3 GLU A 75 -15.885 4.792 2.484 1.00 1.25 H new ATOM 1012 N ILE A 76 -13.211 5.638 2.404 1.00 1.00 N ATOM 1013 CA ILE A 76 -12.262 4.963 3.295 1.00 0.89 C ATOM 1014 C ILE A 76 -10.996 5.813 3.490 1.00 0.93 C ATOM 1015 O ILE A 76 -10.577 6.041 4.624 1.00 0.93 O ATOM 1016 CB ILE A 76 -11.982 3.536 2.769 1.00 0.79 C ATOM 1017 CG1 ILE A 76 -13.254 2.657 2.891 1.00 0.80 C ATOM 1018 CG2 ILE A 76 -10.820 2.907 3.551 1.00 0.72 C ATOM 1019 CD1 ILE A 76 -13.303 1.460 1.930 1.00 0.75 C ATOM 0 H ILE A 76 -13.222 5.246 1.462 1.00 1.00 H new ATOM 0 HA ILE A 76 -12.695 4.853 4.289 1.00 0.89 H new ATOM 0 HB ILE A 76 -11.705 3.597 1.717 1.00 0.79 H new ATOM 0 HG12 ILE A 76 -13.327 2.287 3.914 1.00 0.80 H new ATOM 0 HG13 ILE A 76 -14.129 3.282 2.715 1.00 0.80 H new ATOM 0 HG21 ILE A 76 -10.630 1.902 3.174 1.00 0.72 H new ATOM 0 HG22 ILE A 76 -9.925 3.517 3.426 1.00 0.72 H new ATOM 0 HG23 ILE A 76 -11.079 2.855 4.608 1.00 0.72 H new ATOM 0 HD11 ILE A 76 -14.227 0.904 2.088 1.00 0.75 H new ATOM 0 HD12 ILE A 76 -13.266 1.818 0.901 1.00 0.75 H new ATOM 0 HD13 ILE A 76 -12.451 0.807 2.118 1.00 0.75 H new ATOM 1031 N LEU A 77 -10.421 6.379 2.423 1.00 0.99 N ATOM 1032 CA LEU A 77 -9.322 7.352 2.538 1.00 1.06 C ATOM 1033 C LEU A 77 -9.745 8.615 3.303 1.00 1.14 C ATOM 1034 O LEU A 77 -8.955 9.180 4.066 1.00 1.19 O ATOM 1035 CB LEU A 77 -8.837 7.719 1.133 1.00 1.11 C ATOM 1036 CG LEU A 77 -7.896 6.668 0.512 1.00 1.06 C ATOM 1037 CD1 LEU A 77 -7.739 7.018 -0.960 1.00 1.15 C ATOM 1038 CD2 LEU A 77 -6.505 6.621 1.168 1.00 1.09 C ATOM 0 H LEU A 77 -10.699 6.180 1.462 1.00 0.99 H new ATOM 0 HA LEU A 77 -8.515 6.893 3.108 1.00 1.06 H new ATOM 0 HB2 LEU A 77 -9.701 7.851 0.482 1.00 1.11 H new ATOM 0 HB3 LEU A 77 -8.320 8.678 1.175 1.00 1.11 H new ATOM 0 HG LEU A 77 -8.339 5.684 0.667 1.00 1.06 H new ATOM 0 HD11 LEU A 77 -7.078 6.295 -1.437 1.00 1.15 H new ATOM 0 HD12 LEU A 77 -8.714 6.994 -1.446 1.00 1.15 H new ATOM 0 HD13 LEU A 77 -7.312 8.017 -1.053 1.00 1.15 H new ATOM 0 HD21 LEU A 77 -5.898 5.859 0.680 1.00 1.09 H new ATOM 0 HD22 LEU A 77 -6.021 7.592 1.064 1.00 1.09 H new ATOM 0 HD23 LEU A 77 -6.609 6.379 2.226 1.00 1.09 H new ATOM 1050 N ARG A 78 -11.014 9.013 3.162 1.00 1.18 N ATOM 1051 CA ARG A 78 -11.651 10.056 3.987 1.00 1.30 C ATOM 1052 C ARG A 78 -11.792 9.633 5.451 1.00 1.23 C ATOM 1053 O ARG A 78 -11.537 10.445 6.338 1.00 1.26 O ATOM 1054 CB ARG A 78 -13.020 10.437 3.401 1.00 1.44 C ATOM 1055 CG ARG A 78 -12.924 11.426 2.231 1.00 1.64 C ATOM 1056 CD ARG A 78 -14.180 11.419 1.344 1.00 1.93 C ATOM 1057 NE ARG A 78 -15.437 11.485 2.121 1.00 3.43 N ATOM 1058 CZ ARG A 78 -16.543 10.799 1.885 1.00 4.85 C ATOM 1059 NH1 ARG A 78 -16.699 10.077 0.815 1.00 5.38 N ATOM 1060 NH2 ARG A 78 -17.532 10.806 2.732 1.00 6.47 N ATOM 0 H ARG A 78 -11.641 8.616 2.462 1.00 1.18 H new ATOM 0 HA ARG A 78 -10.998 10.929 3.968 1.00 1.30 H new ATOM 0 HB2 ARG A 78 -13.528 9.533 3.063 1.00 1.44 H new ATOM 0 HB3 ARG A 78 -13.636 10.873 4.187 1.00 1.44 H new ATOM 0 HG2 ARG A 78 -12.766 12.431 2.622 1.00 1.64 H new ATOM 0 HG3 ARG A 78 -12.053 11.180 1.623 1.00 1.64 H new ATOM 0 HD2 ARG A 78 -14.138 12.265 0.658 1.00 1.93 H new ATOM 0 HD3 ARG A 78 -14.183 10.515 0.735 1.00 1.93 H new ATOM 0 HE ARG A 78 -15.452 12.122 2.917 1.00 3.43 H new ATOM 0 HH11 ARG A 78 -15.953 10.025 0.121 1.00 5.38 H new ATOM 0 HH12 ARG A 78 -17.567 9.562 0.669 1.00 5.38 H new ATOM 0 HH21 ARG A 78 -17.461 11.347 3.594 1.00 6.47 H new ATOM 0 HH22 ARG A 78 -18.377 10.271 2.533 1.00 6.47 H new ATOM 1074 N ALA A 79 -12.113 8.365 5.712 1.00 1.15 N ATOM 1075 CA ALA A 79 -12.251 7.808 7.063 1.00 1.17 C ATOM 1076 C ALA A 79 -10.901 7.669 7.794 1.00 1.13 C ATOM 1077 O ALA A 79 -10.858 7.806 9.020 1.00 1.21 O ATOM 1078 CB ALA A 79 -12.989 6.466 6.987 1.00 1.11 C ATOM 0 H ALA A 79 -12.288 7.680 4.976 1.00 1.15 H new ATOM 0 HA ALA A 79 -12.836 8.510 7.657 1.00 1.17 H new ATOM 0 HB1 ALA A 79 -13.093 6.050 7.989 1.00 1.11 H new ATOM 0 HB2 ALA A 79 -13.977 6.618 6.553 1.00 1.11 H new ATOM 0 HB3 ALA A 79 -12.422 5.774 6.364 1.00 1.11 H new ATOM 1084 N VAL A 80 -9.793 7.489 7.061 1.00 1.05 N ATOM 1085 CA VAL A 80 -8.426 7.625 7.601 1.00 1.07 C ATOM 1086 C VAL A 80 -8.072 9.106 7.779 1.00 1.16 C ATOM 1087 O VAL A 80 -7.438 9.490 8.763 1.00 1.19 O ATOM 1088 CB VAL A 80 -7.407 6.928 6.674 1.00 1.02 C ATOM 1089 CG1 VAL A 80 -5.975 7.034 7.203 1.00 1.08 C ATOM 1090 CG2 VAL A 80 -7.706 5.434 6.531 1.00 0.94 C ATOM 0 H VAL A 80 -9.816 7.244 6.071 1.00 1.05 H new ATOM 0 HA VAL A 80 -8.386 7.140 8.576 1.00 1.07 H new ATOM 0 HB VAL A 80 -7.497 7.440 5.716 1.00 1.02 H new ATOM 0 HG11 VAL A 80 -5.295 6.529 6.517 1.00 1.08 H new ATOM 0 HG12 VAL A 80 -5.694 8.084 7.285 1.00 1.08 H new ATOM 0 HG13 VAL A 80 -5.914 6.565 8.185 1.00 1.08 H new ATOM 0 HG21 VAL A 80 -6.968 4.977 5.871 1.00 0.94 H new ATOM 0 HG22 VAL A 80 -7.661 4.959 7.511 1.00 0.94 H new ATOM 0 HG23 VAL A 80 -8.702 5.301 6.109 1.00 0.94 H new ATOM 1100 N GLY A 81 -8.479 9.949 6.824 1.00 1.22 N ATOM 1101 CA GLY A 81 -8.246 11.397 6.818 1.00 1.34 C ATOM 1102 C GLY A 81 -6.821 11.782 6.409 1.00 1.39 C ATOM 1103 O GLY A 81 -6.475 12.965 6.363 1.00 1.54 O ATOM 0 H GLY A 81 -8.998 9.631 6.006 1.00 1.22 H new ATOM 0 HA2 GLY A 81 -8.952 11.868 6.134 1.00 1.34 H new ATOM 0 HA3 GLY A 81 -8.451 11.795 7.812 1.00 1.34 H new ATOM 1107 N ASN A 82 -6.003 10.783 6.090 1.00 1.32 N ATOM 1108 CA ASN A 82 -4.597 10.894 5.740 1.00 1.35 C ATOM 1109 C ASN A 82 -4.199 9.695 4.855 1.00 1.26 C ATOM 1110 O ASN A 82 -4.982 8.765 4.653 1.00 1.18 O ATOM 1111 CB ASN A 82 -3.803 10.939 7.062 1.00 1.42 C ATOM 1112 CG ASN A 82 -2.320 11.223 6.907 1.00 1.51 C ATOM 1113 OD1 ASN A 82 -1.849 11.776 5.920 1.00 1.99 O ATOM 1114 ND2 ASN A 82 -1.535 10.834 7.874 1.00 1.77 N ATOM 0 H ASN A 82 -6.328 9.816 6.069 1.00 1.32 H new ATOM 0 HA ASN A 82 -4.384 11.796 5.167 1.00 1.35 H new ATOM 0 HB2 ASN A 82 -4.239 11.703 7.705 1.00 1.42 H new ATOM 0 HB3 ASN A 82 -3.924 9.984 7.574 1.00 1.42 H new ATOM 0 HD21 ASN A 82 -0.529 10.990 7.808 1.00 1.77 H new ATOM 0 HD22 ASN A 82 -1.927 10.374 8.695 1.00 1.77 H new ATOM 1121 N MET A 83 -2.962 9.686 4.366 1.00 1.29 N ATOM 1122 CA MET A 83 -2.358 8.541 3.703 1.00 1.23 C ATOM 1123 C MET A 83 -2.149 7.392 4.715 1.00 1.21 C ATOM 1124 O MET A 83 -1.498 7.616 5.742 1.00 1.33 O ATOM 1125 CB MET A 83 -1.025 9.005 3.098 1.00 1.32 C ATOM 1126 CG MET A 83 -0.574 8.158 1.902 1.00 1.36 C ATOM 1127 SD MET A 83 -1.235 8.683 0.290 1.00 1.44 S ATOM 1128 CE MET A 83 -2.783 7.748 0.197 1.00 1.15 C ATOM 0 H MET A 83 -2.341 10.493 4.422 1.00 1.29 H new ATOM 0 HA MET A 83 -3.006 8.160 2.913 1.00 1.23 H new ATOM 0 HB2 MET A 83 -1.119 10.044 2.783 1.00 1.32 H new ATOM 0 HB3 MET A 83 -0.254 8.974 3.868 1.00 1.32 H new ATOM 0 HG2 MET A 83 0.515 8.176 1.854 1.00 1.36 H new ATOM 0 HG3 MET A 83 -0.868 7.123 2.078 1.00 1.36 H new ATOM 0 HE1 MET A 83 -3.117 7.700 -0.839 1.00 1.15 H new ATOM 0 HE2 MET A 83 -2.621 6.738 0.573 1.00 1.15 H new ATOM 0 HE3 MET A 83 -3.544 8.242 0.801 1.00 1.15 H new ATOM 1138 N PRO A 84 -2.612 6.155 4.446 1.00 1.10 N ATOM 1139 CA PRO A 84 -2.383 5.006 5.327 1.00 1.10 C ATOM 1140 C PRO A 84 -0.959 4.428 5.205 1.00 1.17 C ATOM 1141 O PRO A 84 -0.651 3.395 5.802 1.00 1.22 O ATOM 1142 CB PRO A 84 -3.476 4.001 4.960 1.00 1.04 C ATOM 1143 CG PRO A 84 -3.803 4.290 3.496 1.00 0.98 C ATOM 1144 CD PRO A 84 -3.440 5.768 3.314 1.00 1.03 C ATOM 0 HA PRO A 84 -2.443 5.289 6.378 1.00 1.10 H new ATOM 0 HB2 PRO A 84 -3.130 2.976 5.092 1.00 1.04 H new ATOM 0 HB3 PRO A 84 -4.355 4.125 5.593 1.00 1.04 H new ATOM 0 HG2 PRO A 84 -3.226 3.653 2.826 1.00 0.98 H new ATOM 0 HG3 PRO A 84 -4.856 4.109 3.280 1.00 0.98 H new ATOM 0 HD2 PRO A 84 -2.904 5.919 2.377 1.00 1.03 H new ATOM 0 HD3 PRO A 84 -4.340 6.382 3.269 1.00 1.03 H new ATOM 1152 N TYR A 85 -0.104 5.077 4.408 1.00 1.24 N ATOM 1153 CA TYR A 85 1.309 4.730 4.176 1.00 1.40 C ATOM 1154 C TYR A 85 2.247 5.937 4.001 1.00 1.91 C ATOM 1155 O TYR A 85 3.464 5.730 3.787 1.00 2.15 O ATOM 1156 CB TYR A 85 1.364 3.767 2.984 1.00 1.32 C ATOM 1157 CG TYR A 85 0.583 4.227 1.766 1.00 1.15 C ATOM 1158 CD1 TYR A 85 1.159 5.125 0.853 1.00 2.19 C ATOM 1159 CD2 TYR A 85 -0.713 3.730 1.537 1.00 2.31 C ATOM 1160 CE1 TYR A 85 0.473 5.470 -0.326 1.00 2.48 C ATOM 1161 CE2 TYR A 85 -1.418 4.093 0.374 1.00 2.21 C ATOM 1162 CZ TYR A 85 -0.806 4.934 -0.582 1.00 1.48 C ATOM 1163 OH TYR A 85 -1.434 5.225 -1.752 1.00 1.82 O ATOM 0 H TYR A 85 -0.390 5.901 3.879 1.00 1.24 H new ATOM 0 HA TYR A 85 1.693 4.249 5.076 1.00 1.40 H new ATOM 0 HB2 TYR A 85 2.406 3.622 2.698 1.00 1.32 H new ATOM 0 HB3 TYR A 85 0.982 2.796 3.300 1.00 1.32 H new ATOM 0 HD1 TYR A 85 2.130 5.552 1.056 1.00 2.19 H new ATOM 0 HD2 TYR A 85 -1.169 3.067 2.257 1.00 2.31 H new ATOM 0 HE1 TYR A 85 0.926 6.146 -1.036 1.00 2.48 H new ATOM 0 HE2 TYR A 85 -2.422 3.730 0.213 1.00 2.21 H new ATOM 0 HH TYR A 85 -2.306 4.778 -1.775 1.00 1.82 H new TER 1173 TYR A 85