USER MOD reduce.3.24.130724 H: found=0, std=0, add=620, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 617 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 2 ASN : amide:sc= 0.558 K(o=2.3,f=-1.1!) USER MOD Set 1.2: A 70 SER OG : rot 30:sc= 1.74 USER MOD Set 2.1: A 21 GLN : amide:sc= 0.829 X(o=1.4,f=0.97) USER MOD Set 2.2: A 36 SER OG : rot 137:sc= 0.568 USER MOD Set 3.1: A 1 MET N :NH3+ 173:sc= 1.59 (180deg=1) USER MOD Set 3.2: A 4 GLN : amide:sc= 1.81 K(o=3.4,f=-8.4!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -33:sc= 0.923 USER MOD Single : A 6 MET CE :methyl 156:sc= 0 (180deg=-0.148) USER MOD Single : A 15 LYS NZ :NH3+ 174:sc= -0.0989 (180deg=-0.193) USER MOD Single : A 16 LYS NZ :NH3+ 149:sc= 0.831 (180deg=-0.432) USER MOD Single : A 18 LYS NZ :NH3+ -160:sc= 1.25 (180deg=0.942) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc=-0.00973 (180deg=-0.0382) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.83 USER MOD Single : A 32 ASN : amide:sc= -0.416 K(o=-0.42,f=-5.7!) USER MOD Single : A 37 GLN : amide:sc= 1.1 K(o=1.1,f=-0.15) USER MOD Single : A 41 SER OG : rot 28:sc= 0.942 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= 1.2 K(o=1.2,f=-3.7!) USER MOD Single : A 49 ASN : amide:sc= -0.553 X(o=-0.55,f=-0.15!) USER MOD Single : A 54 SER OG : rot 73:sc= 0.755 USER MOD Single : A 55 LYS NZ :NH3+ -176:sc= 1.23 (180deg=1.2) USER MOD Single : A 58 GLN : amide:sc= -0.0187 X(o=-0.019,f=-0.016) USER MOD Single : A 59 CYS SG : rot 163:sc= -0.23 USER MOD Single : A 60 SER OG : rot 142:sc= 1.37 USER MOD Single : A 63 TYR OH : rot 102:sc= 0.976 USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 0.0294 (180deg=-0.0638) USER MOD Single : A 71 GLN : amide:sc= -0.167 K(o=-0.17,f=-4.2!) USER MOD Single : A 72 THR OG1 : rot 91:sc= 0.352 USER MOD Single : A 73 ASN : amide:sc= 0.847 K(o=0.85,f=-2.6) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.672 6.105 8.214 1.00 8.72 N ATOM 2 CA MET A 1 13.929 7.271 7.700 1.00 8.73 C ATOM 3 C MET A 1 13.842 7.182 6.174 1.00 8.26 C ATOM 4 O MET A 1 14.400 6.248 5.606 1.00 8.08 O ATOM 5 CB MET A 1 14.566 8.593 8.182 1.00 9.85 C ATOM 6 CG MET A 1 16.096 8.543 8.335 1.00 10.26 C ATOM 7 SD MET A 1 16.999 7.706 7.008 1.00 10.56 S ATOM 8 CE MET A 1 18.659 7.657 7.716 1.00 11.47 C ATOM 0 H1 MET A 1 14.836 6.220 9.234 1.00 8.72 H new ATOM 0 H2 MET A 1 14.119 5.240 8.048 1.00 8.72 H new ATOM 0 H3 MET A 1 15.585 6.031 7.722 1.00 8.72 H new ATOM 0 HA MET A 1 12.914 7.262 8.097 1.00 8.73 H new ATOM 0 HB2 MET A 1 14.309 9.384 7.477 1.00 9.85 H new ATOM 0 HB3 MET A 1 14.126 8.866 9.141 1.00 9.85 H new ATOM 0 HG2 MET A 1 16.467 9.565 8.412 1.00 10.26 H new ATOM 0 HG3 MET A 1 16.331 8.047 9.277 1.00 10.26 H new ATOM 0 HE1 MET A 1 19.338 7.169 7.017 1.00 11.47 H new ATOM 0 HE2 MET A 1 19.003 8.673 7.907 1.00 11.47 H new ATOM 0 HE3 MET A 1 18.639 7.099 8.652 1.00 11.47 H new ATOM 17 N ASN A 2 13.182 8.155 5.536 1.00 8.61 N ATOM 18 CA ASN A 2 13.074 8.308 4.087 1.00 8.79 C ATOM 19 C ASN A 2 12.617 7.032 3.380 1.00 7.60 C ATOM 20 O ASN A 2 13.383 6.393 2.664 1.00 7.39 O ATOM 21 CB ASN A 2 14.368 8.867 3.470 1.00 9.58 C ATOM 22 CG ASN A 2 14.261 8.979 1.945 1.00 10.03 C ATOM 23 OD1 ASN A 2 15.075 8.423 1.215 1.00 10.04 O ATOM 24 ND2 ASN A 2 13.240 9.673 1.446 1.00 10.79 N ATOM 0 H ASN A 2 12.687 8.889 6.042 1.00 8.61 H new ATOM 0 HA ASN A 2 12.287 9.044 3.923 1.00 8.79 H new ATOM 0 HB2 ASN A 2 14.580 9.849 3.894 1.00 9.58 H new ATOM 0 HB3 ASN A 2 15.206 8.220 3.730 1.00 9.58 H new ATOM 0 HD21 ASN A 2 13.122 9.751 0.436 1.00 10.79 H new ATOM 0 HD22 ASN A 2 12.576 10.126 2.074 1.00 10.79 H new ATOM 31 N THR A 3 11.336 6.701 3.518 1.00 7.50 N ATOM 32 CA THR A 3 10.692 5.625 2.791 1.00 6.98 C ATOM 33 C THR A 3 11.281 4.288 3.242 1.00 5.02 C ATOM 34 O THR A 3 11.734 3.479 2.431 1.00 5.29 O ATOM 35 CB THR A 3 10.657 5.874 1.267 1.00 8.64 C ATOM 36 OG1 THR A 3 11.866 5.561 0.602 1.00 9.10 O ATOM 37 CG2 THR A 3 10.256 7.311 0.918 1.00 10.16 C ATOM 0 H THR A 3 10.707 7.189 4.155 1.00 7.50 H new ATOM 0 HA THR A 3 9.632 5.587 3.041 1.00 6.98 H new ATOM 0 HB THR A 3 9.893 5.184 0.908 1.00 8.64 H new ATOM 0 HG1 THR A 3 12.623 5.742 1.197 1.00 9.10 H new ATOM 0 HG21 THR A 3 10.247 7.433 -0.165 1.00 10.16 H new ATOM 0 HG22 THR A 3 9.262 7.518 1.315 1.00 10.16 H new ATOM 0 HG23 THR A 3 10.973 8.005 1.355 1.00 10.16 H new ATOM 45 N GLN A 4 11.256 4.054 4.554 1.00 3.72 N ATOM 46 CA GLN A 4 11.612 2.766 5.137 1.00 2.62 C ATOM 47 C GLN A 4 10.359 1.892 5.198 1.00 2.30 C ATOM 48 O GLN A 4 9.253 2.419 5.310 1.00 3.20 O ATOM 49 CB GLN A 4 12.274 2.974 6.504 1.00 3.37 C ATOM 50 CG GLN A 4 11.291 3.442 7.586 1.00 4.49 C ATOM 51 CD GLN A 4 11.980 4.282 8.655 1.00 5.80 C ATOM 52 OE1 GLN A 4 13.152 4.069 8.962 1.00 6.48 O ATOM 53 NE2 GLN A 4 11.321 5.305 9.181 1.00 6.61 N ATOM 0 H GLN A 4 10.987 4.757 5.243 1.00 3.72 H new ATOM 0 HA GLN A 4 12.345 2.247 4.520 1.00 2.62 H new ATOM 0 HB2 GLN A 4 12.737 2.040 6.822 1.00 3.37 H new ATOM 0 HB3 GLN A 4 13.073 3.709 6.406 1.00 3.37 H new ATOM 0 HG2 GLN A 4 10.494 4.025 7.125 1.00 4.49 H new ATOM 0 HG3 GLN A 4 10.823 2.574 8.052 1.00 4.49 H new ATOM 0 HE21 GLN A 4 10.349 5.474 8.921 1.00 6.61 H new ATOM 0 HE22 GLN A 4 11.786 5.923 9.846 1.00 6.61 H new ATOM 62 N LEU A 5 10.527 0.567 5.105 1.00 2.53 N ATOM 63 CA LEU A 5 9.416 -0.384 5.099 1.00 2.56 C ATOM 64 C LEU A 5 8.495 -0.155 3.892 1.00 2.19 C ATOM 65 O LEU A 5 8.718 0.740 3.075 1.00 2.46 O ATOM 66 CB LEU A 5 8.653 -0.312 6.435 1.00 2.82 C ATOM 67 CG LEU A 5 9.515 -0.556 7.682 1.00 2.99 C ATOM 68 CD1 LEU A 5 8.599 -0.479 8.907 1.00 2.63 C ATOM 69 CD2 LEU A 5 10.196 -1.929 7.650 1.00 3.84 C ATOM 0 H LEU A 5 11.444 0.125 5.032 1.00 2.53 H new ATOM 0 HA LEU A 5 9.816 -1.393 4.997 1.00 2.56 H new ATOM 0 HB2 LEU A 5 8.187 0.670 6.519 1.00 2.82 H new ATOM 0 HB3 LEU A 5 7.848 -1.046 6.418 1.00 2.82 H new ATOM 0 HG LEU A 5 10.301 0.198 7.718 1.00 2.99 H new ATOM 0 HD11 LEU A 5 9.185 -0.649 9.810 1.00 2.63 H new ATOM 0 HD12 LEU A 5 8.137 0.507 8.954 1.00 2.63 H new ATOM 0 HD13 LEU A 5 7.823 -1.240 8.829 1.00 2.63 H new ATOM 0 HD21 LEU A 5 10.795 -2.059 8.551 1.00 3.84 H new ATOM 0 HD22 LEU A 5 9.437 -2.710 7.603 1.00 3.84 H new ATOM 0 HD23 LEU A 5 10.840 -1.995 6.773 1.00 3.84 H new ATOM 81 N MET A 6 7.458 -0.970 3.739 1.00 1.84 N ATOM 82 CA MET A 6 6.385 -0.659 2.810 1.00 1.50 C ATOM 83 C MET A 6 5.587 0.527 3.351 1.00 1.06 C ATOM 84 O MET A 6 5.279 1.436 2.585 1.00 0.82 O ATOM 85 CB MET A 6 5.495 -1.883 2.547 1.00 1.87 C ATOM 86 CG MET A 6 5.779 -2.497 1.172 1.00 2.21 C ATOM 87 SD MET A 6 7.469 -3.068 0.851 1.00 2.43 S ATOM 88 CE MET A 6 7.612 -4.411 2.048 1.00 1.99 C ATOM 0 H MET A 6 7.340 -1.847 4.245 1.00 1.84 H new ATOM 0 HA MET A 6 6.811 -0.383 1.845 1.00 1.50 H new ATOM 0 HB2 MET A 6 5.663 -2.630 3.322 1.00 1.87 H new ATOM 0 HB3 MET A 6 4.446 -1.592 2.607 1.00 1.87 H new ATOM 0 HG2 MET A 6 5.105 -3.343 1.034 1.00 2.21 H new ATOM 0 HG3 MET A 6 5.522 -1.758 0.413 1.00 2.21 H new ATOM 0 HE1 MET A 6 8.373 -5.116 1.714 1.00 1.99 H new ATOM 0 HE2 MET A 6 7.895 -4.004 3.019 1.00 1.99 H new ATOM 0 HE3 MET A 6 6.654 -4.924 2.135 1.00 1.99 H new ATOM 98 N GLY A 7 5.264 0.535 4.647 1.00 1.22 N ATOM 99 CA GLY A 7 4.331 1.464 5.272 1.00 1.27 C ATOM 100 C GLY A 7 4.516 2.914 4.828 1.00 1.12 C ATOM 101 O GLY A 7 3.563 3.574 4.406 1.00 1.11 O ATOM 0 H GLY A 7 5.662 -0.131 5.310 1.00 1.22 H new ATOM 0 HA2 GLY A 7 3.312 1.151 5.043 1.00 1.27 H new ATOM 0 HA3 GLY A 7 4.446 1.407 6.354 1.00 1.27 H new ATOM 105 N GLU A 8 5.750 3.415 4.904 1.00 1.12 N ATOM 106 CA GLU A 8 6.024 4.792 4.494 1.00 1.14 C ATOM 107 C GLU A 8 5.734 4.987 3.004 1.00 0.92 C ATOM 108 O GLU A 8 5.143 5.993 2.611 1.00 1.02 O ATOM 109 CB GLU A 8 7.464 5.211 4.808 1.00 1.39 C ATOM 110 CG GLU A 8 7.713 5.392 6.309 1.00 2.51 C ATOM 111 CD GLU A 8 9.064 6.036 6.607 1.00 3.62 C ATOM 112 OE1 GLU A 8 9.887 6.165 5.671 1.00 4.20 O ATOM 113 OE2 GLU A 8 9.290 6.342 7.796 1.00 4.70 O ATOM 0 H GLU A 8 6.563 2.898 5.240 1.00 1.12 H new ATOM 0 HA GLU A 8 5.357 5.432 5.072 1.00 1.14 H new ATOM 0 HB2 GLU A 8 8.150 4.459 4.418 1.00 1.39 H new ATOM 0 HB3 GLU A 8 7.687 6.145 4.292 1.00 1.39 H new ATOM 0 HG2 GLU A 8 6.920 6.008 6.733 1.00 2.51 H new ATOM 0 HG3 GLU A 8 7.661 4.421 6.802 1.00 2.51 H new ATOM 120 N ARG A 9 6.148 4.031 2.170 1.00 0.83 N ATOM 121 CA ARG A 9 5.908 4.084 0.736 1.00 0.90 C ATOM 122 C ARG A 9 4.404 4.068 0.463 1.00 0.90 C ATOM 123 O ARG A 9 3.918 4.877 -0.324 1.00 1.13 O ATOM 124 CB ARG A 9 6.646 2.940 0.016 1.00 1.19 C ATOM 125 CG ARG A 9 7.668 3.512 -0.977 1.00 1.87 C ATOM 126 CD ARG A 9 8.549 2.436 -1.624 1.00 2.20 C ATOM 127 NE ARG A 9 9.248 1.623 -0.611 1.00 1.86 N ATOM 128 CZ ARG A 9 10.258 2.055 0.163 1.00 2.90 C ATOM 129 NH1 ARG A 9 11.002 3.104 -0.188 1.00 3.93 N ATOM 130 NH2 ARG A 9 10.514 1.464 1.324 1.00 3.80 N ATOM 0 H ARG A 9 6.658 3.202 2.474 1.00 0.83 H new ATOM 0 HA ARG A 9 6.309 5.015 0.336 1.00 0.90 H new ATOM 0 HB2 ARG A 9 7.151 2.307 0.746 1.00 1.19 H new ATOM 0 HB3 ARG A 9 5.930 2.310 -0.511 1.00 1.19 H new ATOM 0 HG2 ARG A 9 7.139 4.058 -1.758 1.00 1.87 H new ATOM 0 HG3 ARG A 9 8.304 4.231 -0.460 1.00 1.87 H new ATOM 0 HD2 ARG A 9 7.934 1.789 -2.249 1.00 2.20 H new ATOM 0 HD3 ARG A 9 9.280 2.910 -2.279 1.00 2.20 H new ATOM 0 HE ARG A 9 8.941 0.658 -0.489 1.00 1.86 H new ATOM 0 HH11 ARG A 9 10.810 3.597 -1.060 1.00 3.93 H new ATOM 0 HH12 ARG A 9 11.764 3.414 0.416 1.00 3.93 H new ATOM 0 HH21 ARG A 9 9.943 0.677 1.633 1.00 3.80 H new ATOM 0 HH22 ARG A 9 11.282 1.796 1.907 1.00 3.80 H new ATOM 144 N ILE A 10 3.668 3.176 1.129 1.00 0.80 N ATOM 145 CA ILE A 10 2.217 3.107 1.046 1.00 0.93 C ATOM 146 C ILE A 10 1.639 4.485 1.368 1.00 1.05 C ATOM 147 O ILE A 10 0.908 5.040 0.551 1.00 1.17 O ATOM 148 CB ILE A 10 1.662 1.983 1.946 1.00 0.95 C ATOM 149 CG1 ILE A 10 2.105 0.613 1.396 1.00 0.90 C ATOM 150 CG2 ILE A 10 0.126 2.049 2.023 1.00 1.15 C ATOM 151 CD1 ILE A 10 1.834 -0.542 2.364 1.00 1.44 C ATOM 0 H ILE A 10 4.073 2.474 1.748 1.00 0.80 H new ATOM 0 HA ILE A 10 1.908 2.845 0.034 1.00 0.93 H new ATOM 0 HB ILE A 10 2.059 2.116 2.953 1.00 0.95 H new ATOM 0 HG12 ILE A 10 1.586 0.421 0.457 1.00 0.90 H new ATOM 0 HG13 ILE A 10 3.171 0.647 1.170 1.00 0.90 H new ATOM 0 HG21 ILE A 10 -0.241 1.247 2.663 1.00 1.15 H new ATOM 0 HG22 ILE A 10 -0.177 3.011 2.437 1.00 1.15 H new ATOM 0 HG23 ILE A 10 -0.294 1.936 1.023 1.00 1.15 H new ATOM 0 HD11 ILE A 10 2.169 -1.478 1.917 1.00 1.44 H new ATOM 0 HD12 ILE A 10 2.375 -0.371 3.295 1.00 1.44 H new ATOM 0 HD13 ILE A 10 0.765 -0.601 2.571 1.00 1.44 H new ATOM 163 N ARG A 11 1.980 5.056 2.530 1.00 1.07 N ATOM 164 CA ARG A 11 1.490 6.376 2.909 1.00 1.18 C ATOM 165 C ARG A 11 1.794 7.404 1.822 1.00 1.18 C ATOM 166 O ARG A 11 0.910 8.136 1.383 1.00 1.26 O ATOM 167 CB ARG A 11 2.097 6.832 4.242 1.00 1.24 C ATOM 168 CG ARG A 11 1.458 8.161 4.680 1.00 1.36 C ATOM 169 CD ARG A 11 1.798 8.531 6.126 1.00 1.72 C ATOM 170 NE ARG A 11 1.101 7.648 7.076 1.00 2.54 N ATOM 171 CZ ARG A 11 1.649 6.771 7.928 1.00 3.09 C ATOM 172 NH1 ARG A 11 2.958 6.510 7.946 1.00 3.12 N ATOM 173 NH2 ARG A 11 0.827 6.098 8.729 1.00 4.34 N ATOM 0 H ARG A 11 2.593 4.621 3.219 1.00 1.07 H new ATOM 0 HA ARG A 11 0.409 6.300 3.029 1.00 1.18 H new ATOM 0 HB2 ARG A 11 1.934 6.071 5.005 1.00 1.24 H new ATOM 0 HB3 ARG A 11 3.175 6.954 4.138 1.00 1.24 H new ATOM 0 HG2 ARG A 11 1.795 8.958 4.017 1.00 1.36 H new ATOM 0 HG3 ARG A 11 0.376 8.092 4.572 1.00 1.36 H new ATOM 0 HD2 ARG A 11 2.875 8.458 6.280 1.00 1.72 H new ATOM 0 HD3 ARG A 11 1.518 9.567 6.315 1.00 1.72 H new ATOM 0 HE ARG A 11 0.083 7.711 7.087 1.00 2.54 H new ATOM 0 HH11 ARG A 11 3.582 6.986 7.294 1.00 3.12 H new ATOM 0 HH12 ARG A 11 3.334 5.835 8.611 1.00 3.12 H new ATOM 0 HH21 ARG A 11 -0.179 6.259 8.679 1.00 4.34 H new ATOM 0 HH22 ARG A 11 1.203 5.421 9.393 1.00 4.34 H new ATOM 187 N ALA A 12 3.060 7.497 1.422 1.00 1.14 N ATOM 188 CA ALA A 12 3.523 8.528 0.515 1.00 1.26 C ATOM 189 C ALA A 12 2.850 8.407 -0.857 1.00 1.14 C ATOM 190 O ALA A 12 2.355 9.405 -1.381 1.00 1.24 O ATOM 191 CB ALA A 12 5.046 8.468 0.442 1.00 1.40 C ATOM 0 H ALA A 12 3.792 6.853 1.723 1.00 1.14 H new ATOM 0 HA ALA A 12 3.239 9.511 0.891 1.00 1.26 H new ATOM 0 HB1 ALA A 12 5.408 9.239 -0.238 1.00 1.40 H new ATOM 0 HB2 ALA A 12 5.465 8.633 1.435 1.00 1.40 H new ATOM 0 HB3 ALA A 12 5.354 7.488 0.077 1.00 1.40 H new ATOM 197 N ARG A 13 2.802 7.205 -1.441 1.00 0.99 N ATOM 198 CA ARG A 13 2.080 6.974 -2.688 1.00 0.97 C ATOM 199 C ARG A 13 0.593 7.303 -2.499 1.00 0.98 C ATOM 200 O ARG A 13 0.015 8.018 -3.316 1.00 1.06 O ATOM 201 CB ARG A 13 2.255 5.532 -3.186 1.00 1.02 C ATOM 202 CG ARG A 13 3.682 5.141 -3.605 1.00 1.93 C ATOM 203 CD ARG A 13 4.262 5.871 -4.830 1.00 1.90 C ATOM 204 NE ARG A 13 3.459 5.632 -6.041 1.00 1.25 N ATOM 205 CZ ARG A 13 3.911 5.432 -7.295 1.00 1.74 C ATOM 206 NH1 ARG A 13 5.190 5.630 -7.633 1.00 2.47 N ATOM 207 NH2 ARG A 13 3.042 5.019 -8.218 1.00 2.70 N ATOM 0 H ARG A 13 3.259 6.375 -1.064 1.00 0.99 H new ATOM 0 HA ARG A 13 2.499 7.633 -3.448 1.00 0.97 H new ATOM 0 HB2 ARG A 13 1.928 4.853 -2.399 1.00 1.02 H new ATOM 0 HB3 ARG A 13 1.591 5.377 -4.036 1.00 1.02 H new ATOM 0 HG2 ARG A 13 4.346 5.315 -2.758 1.00 1.93 H new ATOM 0 HG3 ARG A 13 3.697 4.070 -3.807 1.00 1.93 H new ATOM 0 HD2 ARG A 13 4.305 6.941 -4.628 1.00 1.90 H new ATOM 0 HD3 ARG A 13 5.285 5.537 -5.001 1.00 1.90 H new ATOM 0 HE ARG A 13 2.447 5.616 -5.917 1.00 1.25 H new ATOM 0 HH11 ARG A 13 5.860 5.943 -6.931 1.00 2.47 H new ATOM 0 HH12 ARG A 13 5.495 5.468 -8.593 1.00 2.47 H new ATOM 0 HH21 ARG A 13 2.066 4.863 -7.966 1.00 2.70 H new ATOM 0 HH22 ARG A 13 3.353 4.859 -9.176 1.00 2.70 H new ATOM 221 N ARG A 14 -0.023 6.804 -1.421 1.00 0.95 N ATOM 222 CA ARG A 14 -1.426 7.055 -1.108 1.00 0.97 C ATOM 223 C ARG A 14 -1.706 8.560 -1.074 1.00 1.06 C ATOM 224 O ARG A 14 -2.703 9.019 -1.631 1.00 1.10 O ATOM 225 CB ARG A 14 -1.814 6.361 0.214 1.00 1.00 C ATOM 226 CG ARG A 14 -3.317 6.474 0.493 1.00 1.05 C ATOM 227 CD ARG A 14 -3.779 5.704 1.744 1.00 1.12 C ATOM 228 NE ARG A 14 -3.480 6.381 3.020 1.00 1.78 N ATOM 229 CZ ARG A 14 -4.089 7.483 3.483 1.00 3.07 C ATOM 230 NH1 ARG A 14 -4.975 8.157 2.738 1.00 4.00 N ATOM 231 NH2 ARG A 14 -3.813 7.890 4.723 1.00 4.13 N ATOM 0 H ARG A 14 0.447 6.210 -0.738 1.00 0.95 H new ATOM 0 HA ARG A 14 -2.049 6.628 -1.894 1.00 0.97 H new ATOM 0 HB2 ARG A 14 -1.530 5.310 0.170 1.00 1.00 H new ATOM 0 HB3 ARG A 14 -1.256 6.808 1.037 1.00 1.00 H new ATOM 0 HG2 ARG A 14 -3.577 7.526 0.609 1.00 1.05 H new ATOM 0 HG3 ARG A 14 -3.866 6.104 -0.373 1.00 1.05 H new ATOM 0 HD2 ARG A 14 -4.854 5.539 1.678 1.00 1.12 H new ATOM 0 HD3 ARG A 14 -3.305 4.722 1.747 1.00 1.12 H new ATOM 0 HE ARG A 14 -2.746 5.976 3.601 1.00 1.78 H new ATOM 0 HH11 ARG A 14 -5.200 7.835 1.797 1.00 4.00 H new ATOM 0 HH12 ARG A 14 -5.425 8.992 3.112 1.00 4.00 H new ATOM 0 HH21 ARG A 14 -3.152 7.366 5.296 1.00 4.13 H new ATOM 0 HH22 ARG A 14 -4.263 8.725 5.098 1.00 4.13 H new ATOM 245 N LYS A 15 -0.828 9.330 -0.427 1.00 1.12 N ATOM 246 CA LYS A 15 -0.922 10.781 -0.357 1.00 1.19 C ATOM 247 C LYS A 15 -0.695 11.414 -1.731 1.00 1.21 C ATOM 248 O LYS A 15 -1.396 12.360 -2.080 1.00 1.29 O ATOM 249 CB LYS A 15 0.084 11.333 0.666 1.00 1.23 C ATOM 250 CG LYS A 15 -0.287 10.985 2.117 1.00 2.82 C ATOM 251 CD LYS A 15 -1.350 11.914 2.732 1.00 3.95 C ATOM 252 CE LYS A 15 -0.766 13.128 3.476 1.00 4.65 C ATOM 253 NZ LYS A 15 -0.018 14.050 2.597 1.00 4.44 N ATOM 0 H LYS A 15 -0.021 8.952 0.069 1.00 1.12 H new ATOM 0 HA LYS A 15 -1.929 11.041 -0.031 1.00 1.19 H new ATOM 0 HB2 LYS A 15 1.075 10.936 0.444 1.00 1.23 H new ATOM 0 HB3 LYS A 15 0.144 12.416 0.561 1.00 1.23 H new ATOM 0 HG2 LYS A 15 -0.653 9.959 2.151 1.00 2.82 H new ATOM 0 HG3 LYS A 15 0.613 11.024 2.731 1.00 2.82 H new ATOM 0 HD2 LYS A 15 -2.009 12.269 1.940 1.00 3.95 H new ATOM 0 HD3 LYS A 15 -1.964 11.338 3.424 1.00 3.95 H new ATOM 0 HE2 LYS A 15 -1.577 13.674 3.957 1.00 4.65 H new ATOM 0 HE3 LYS A 15 -0.105 12.776 4.268 1.00 4.65 H new ATOM 0 HZ1 LYS A 15 0.261 14.894 3.137 1.00 4.44 H new ATOM 0 HZ2 LYS A 15 0.833 13.572 2.236 1.00 4.44 H new ATOM 0 HZ3 LYS A 15 -0.621 14.334 1.798 1.00 4.44 H new ATOM 267 N LYS A 16 0.275 10.924 -2.510 1.00 1.20 N ATOM 268 CA LYS A 16 0.523 11.428 -3.857 1.00 1.25 C ATOM 269 C LYS A 16 -0.742 11.292 -4.711 1.00 1.15 C ATOM 270 O LYS A 16 -1.221 12.283 -5.273 1.00 1.29 O ATOM 271 CB LYS A 16 1.733 10.723 -4.509 1.00 1.32 C ATOM 272 CG LYS A 16 2.943 11.662 -4.636 1.00 2.50 C ATOM 273 CD LYS A 16 3.614 11.965 -3.285 1.00 4.21 C ATOM 274 CE LYS A 16 4.782 11.017 -2.967 1.00 4.93 C ATOM 275 NZ LYS A 16 5.996 11.326 -3.757 1.00 5.08 N ATOM 0 H LYS A 16 0.903 10.173 -2.224 1.00 1.20 H new ATOM 0 HA LYS A 16 0.775 12.486 -3.790 1.00 1.25 H new ATOM 0 HB2 LYS A 16 2.010 9.853 -3.914 1.00 1.32 H new ATOM 0 HB3 LYS A 16 1.452 10.358 -5.497 1.00 1.32 H new ATOM 0 HG2 LYS A 16 3.676 11.213 -5.306 1.00 2.50 H new ATOM 0 HG3 LYS A 16 2.623 12.598 -5.094 1.00 2.50 H new ATOM 0 HD2 LYS A 16 3.978 12.992 -3.289 1.00 4.21 H new ATOM 0 HD3 LYS A 16 2.870 11.894 -2.492 1.00 4.21 H new ATOM 0 HE2 LYS A 16 5.018 11.080 -1.905 1.00 4.93 H new ATOM 0 HE3 LYS A 16 4.476 9.990 -3.165 1.00 4.93 H new ATOM 0 HZ1 LYS A 16 6.842 11.079 -3.205 1.00 5.08 H new ATOM 0 HZ2 LYS A 16 5.985 10.776 -4.639 1.00 5.08 H new ATOM 0 HZ3 LYS A 16 6.014 12.341 -3.983 1.00 5.08 H new ATOM 289 N LEU A 17 -1.284 10.073 -4.784 1.00 0.96 N ATOM 290 CA LEU A 17 -2.470 9.753 -5.571 1.00 0.89 C ATOM 291 C LEU A 17 -3.746 10.262 -4.895 1.00 0.88 C ATOM 292 O LEU A 17 -4.778 10.402 -5.545 1.00 0.97 O ATOM 293 CB LEU A 17 -2.540 8.243 -5.822 1.00 0.83 C ATOM 294 CG LEU A 17 -1.332 7.685 -6.592 1.00 0.98 C ATOM 295 CD1 LEU A 17 -1.511 6.173 -6.747 1.00 0.90 C ATOM 296 CD2 LEU A 17 -1.181 8.310 -7.985 1.00 1.30 C ATOM 0 H LEU A 17 -0.901 9.269 -4.287 1.00 0.96 H new ATOM 0 HA LEU A 17 -2.392 10.263 -6.531 1.00 0.89 H new ATOM 0 HB2 LEU A 17 -2.618 7.728 -4.864 1.00 0.83 H new ATOM 0 HB3 LEU A 17 -3.449 8.019 -6.379 1.00 0.83 H new ATOM 0 HG LEU A 17 -0.434 7.928 -6.024 1.00 0.98 H new ATOM 0 HD11 LEU A 17 -0.662 5.760 -7.292 1.00 0.90 H new ATOM 0 HD12 LEU A 17 -1.570 5.711 -5.762 1.00 0.90 H new ATOM 0 HD13 LEU A 17 -2.429 5.970 -7.298 1.00 0.90 H new ATOM 0 HD21 LEU A 17 -0.313 7.880 -8.485 1.00 1.30 H new ATOM 0 HD22 LEU A 17 -2.076 8.107 -8.574 1.00 1.30 H new ATOM 0 HD23 LEU A 17 -1.047 9.387 -7.888 1.00 1.30 H new ATOM 308 N LYS A 18 -3.662 10.596 -3.605 1.00 0.87 N ATOM 309 CA LYS A 18 -4.695 11.261 -2.826 1.00 0.82 C ATOM 310 C LYS A 18 -5.860 10.303 -2.565 1.00 0.77 C ATOM 311 O LYS A 18 -7.023 10.686 -2.695 1.00 0.77 O ATOM 312 CB LYS A 18 -5.139 12.595 -3.471 1.00 0.84 C ATOM 313 CG LYS A 18 -3.979 13.318 -4.169 1.00 1.01 C ATOM 314 CD LYS A 18 -4.273 14.783 -4.498 1.00 1.41 C ATOM 315 CE LYS A 18 -3.316 15.283 -5.593 1.00 1.96 C ATOM 316 NZ LYS A 18 -1.905 14.909 -5.343 1.00 3.36 N ATOM 0 H LYS A 18 -2.828 10.398 -3.053 1.00 0.87 H new ATOM 0 HA LYS A 18 -4.276 11.534 -1.857 1.00 0.82 H new ATOM 0 HB2 LYS A 18 -5.931 12.401 -4.194 1.00 0.84 H new ATOM 0 HB3 LYS A 18 -5.560 13.245 -2.704 1.00 0.84 H new ATOM 0 HG2 LYS A 18 -3.096 13.269 -3.532 1.00 1.01 H new ATOM 0 HG3 LYS A 18 -3.736 12.790 -5.091 1.00 1.01 H new ATOM 0 HD2 LYS A 18 -5.305 14.889 -4.831 1.00 1.41 H new ATOM 0 HD3 LYS A 18 -4.163 15.394 -3.602 1.00 1.41 H new ATOM 0 HE2 LYS A 18 -3.629 14.876 -6.555 1.00 1.96 H new ATOM 0 HE3 LYS A 18 -3.391 16.368 -5.666 1.00 1.96 H new ATOM 0 HZ1 LYS A 18 -1.278 15.531 -5.893 1.00 3.36 H new ATOM 0 HZ2 LYS A 18 -1.693 15.012 -4.330 1.00 3.36 H new ATOM 0 HZ3 LYS A 18 -1.752 13.921 -5.630 1.00 3.36 H new ATOM 330 N ILE A 19 -5.549 9.055 -2.195 1.00 0.82 N ATOM 331 CA ILE A 19 -6.529 7.974 -2.077 1.00 0.77 C ATOM 332 C ILE A 19 -6.932 7.798 -0.602 1.00 0.81 C ATOM 333 O ILE A 19 -6.089 7.864 0.297 1.00 0.89 O ATOM 334 CB ILE A 19 -5.989 6.684 -2.735 1.00 0.72 C ATOM 335 CG1 ILE A 19 -5.689 6.939 -4.224 1.00 0.76 C ATOM 336 CG2 ILE A 19 -7.001 5.535 -2.626 1.00 0.77 C ATOM 337 CD1 ILE A 19 -5.024 5.747 -4.924 1.00 0.77 C ATOM 0 H ILE A 19 -4.598 8.766 -1.967 1.00 0.82 H new ATOM 0 HA ILE A 19 -7.439 8.227 -2.620 1.00 0.77 H new ATOM 0 HB ILE A 19 -5.077 6.402 -2.208 1.00 0.72 H new ATOM 0 HG12 ILE A 19 -6.619 7.180 -4.738 1.00 0.76 H new ATOM 0 HG13 ILE A 19 -5.041 7.811 -4.312 1.00 0.76 H new ATOM 0 HG21 ILE A 19 -6.591 4.643 -3.098 1.00 0.77 H new ATOM 0 HG22 ILE A 19 -7.205 5.328 -1.575 1.00 0.77 H new ATOM 0 HG23 ILE A 19 -7.927 5.817 -3.127 1.00 0.77 H new ATOM 0 HD11 ILE A 19 -4.841 5.995 -5.970 1.00 0.77 H new ATOM 0 HD12 ILE A 19 -4.077 5.519 -4.434 1.00 0.77 H new ATOM 0 HD13 ILE A 19 -5.681 4.879 -4.867 1.00 0.77 H new ATOM 349 N ARG A 20 -8.232 7.598 -0.335 1.00 0.86 N ATOM 350 CA ARG A 20 -8.721 7.349 1.021 1.00 0.95 C ATOM 351 C ARG A 20 -8.318 5.935 1.445 1.00 0.83 C ATOM 352 O ARG A 20 -8.280 5.040 0.606 1.00 0.73 O ATOM 353 CB ARG A 20 -10.251 7.491 1.112 1.00 1.16 C ATOM 354 CG ARG A 20 -10.786 8.857 0.654 1.00 1.46 C ATOM 355 CD ARG A 20 -11.457 8.753 -0.727 1.00 2.07 C ATOM 356 NE ARG A 20 -11.693 10.072 -1.343 1.00 2.95 N ATOM 357 CZ ARG A 20 -10.741 10.780 -1.972 1.00 4.00 C ATOM 358 NH1 ARG A 20 -9.477 10.366 -1.871 1.00 4.74 N ATOM 359 NH2 ARG A 20 -11.047 11.870 -2.682 1.00 5.32 N ATOM 0 H ARG A 20 -8.963 7.605 -1.047 1.00 0.86 H new ATOM 0 HA ARG A 20 -8.276 8.091 1.684 1.00 0.95 H new ATOM 0 HB2 ARG A 20 -10.713 6.711 0.507 1.00 1.16 H new ATOM 0 HB3 ARG A 20 -10.560 7.320 2.143 1.00 1.16 H new ATOM 0 HG2 ARG A 20 -11.503 9.233 1.383 1.00 1.46 H new ATOM 0 HG3 ARG A 20 -9.968 9.576 0.611 1.00 1.46 H new ATOM 0 HD2 ARG A 20 -10.830 8.155 -1.388 1.00 2.07 H new ATOM 0 HD3 ARG A 20 -12.407 8.228 -0.627 1.00 2.07 H new ATOM 0 HE ARG A 20 -12.631 10.468 -1.288 1.00 2.95 H new ATOM 0 HH11 ARG A 20 -9.255 9.532 -1.327 1.00 4.74 H new ATOM 0 HH12 ARG A 20 -8.732 10.883 -2.338 1.00 4.74 H new ATOM 0 HH21 ARG A 20 -12.017 12.177 -2.753 1.00 5.32 H new ATOM 0 HH22 ARG A 20 -10.310 12.395 -3.153 1.00 5.32 H new ATOM 373 N GLN A 21 -8.058 5.707 2.735 1.00 0.94 N ATOM 374 CA GLN A 21 -7.677 4.381 3.214 1.00 0.91 C ATOM 375 C GLN A 21 -8.708 3.323 2.816 1.00 0.80 C ATOM 376 O GLN A 21 -8.335 2.258 2.342 1.00 0.76 O ATOM 377 CB GLN A 21 -7.486 4.387 4.733 1.00 1.10 C ATOM 378 CG GLN A 21 -6.287 5.240 5.163 1.00 1.27 C ATOM 379 CD GLN A 21 -6.022 5.090 6.657 1.00 1.67 C ATOM 380 OE1 GLN A 21 -6.944 4.883 7.439 1.00 3.23 O ATOM 381 NE2 GLN A 21 -4.765 5.175 7.070 1.00 1.02 N ATOM 0 H GLN A 21 -8.105 6.421 3.461 1.00 0.94 H new ATOM 0 HA GLN A 21 -6.729 4.123 2.741 1.00 0.91 H new ATOM 0 HB2 GLN A 21 -8.390 4.767 5.209 1.00 1.10 H new ATOM 0 HB3 GLN A 21 -7.347 3.364 5.084 1.00 1.10 H new ATOM 0 HG2 GLN A 21 -5.402 4.941 4.601 1.00 1.27 H new ATOM 0 HG3 GLN A 21 -6.477 6.287 4.926 1.00 1.27 H new ATOM 0 HE21 GLN A 21 -4.018 5.348 6.398 1.00 1.02 H new ATOM 0 HE22 GLN A 21 -4.545 5.067 8.060 1.00 1.02 H new ATOM 390 N ALA A 22 -10.002 3.609 2.985 1.00 0.83 N ATOM 391 CA ALA A 22 -11.061 2.686 2.589 1.00 0.87 C ATOM 392 C ALA A 22 -11.010 2.387 1.091 1.00 0.72 C ATOM 393 O ALA A 22 -11.125 1.235 0.676 1.00 0.86 O ATOM 394 CB ALA A 22 -12.423 3.263 2.989 1.00 1.05 C ATOM 0 H ALA A 22 -10.339 4.479 3.396 1.00 0.83 H new ATOM 0 HA ALA A 22 -10.910 1.740 3.110 1.00 0.87 H new ATOM 0 HB1 ALA A 22 -13.212 2.572 2.692 1.00 1.05 H new ATOM 0 HB2 ALA A 22 -12.454 3.407 4.069 1.00 1.05 H new ATOM 0 HB3 ALA A 22 -12.573 4.221 2.491 1.00 1.05 H new ATOM 400 N ALA A 23 -10.829 3.430 0.276 1.00 0.59 N ATOM 401 CA ALA A 23 -10.734 3.277 -1.166 1.00 0.54 C ATOM 402 C ALA A 23 -9.543 2.383 -1.510 1.00 0.49 C ATOM 403 O ALA A 23 -9.697 1.406 -2.238 1.00 0.55 O ATOM 404 CB ALA A 23 -10.638 4.647 -1.843 1.00 0.55 C ATOM 0 H ALA A 23 -10.746 4.394 0.600 1.00 0.59 H new ATOM 0 HA ALA A 23 -11.636 2.795 -1.543 1.00 0.54 H new ATOM 0 HB1 ALA A 23 -10.567 4.515 -2.923 1.00 0.55 H new ATOM 0 HB2 ALA A 23 -11.526 5.233 -1.606 1.00 0.55 H new ATOM 0 HB3 ALA A 23 -9.752 5.170 -1.483 1.00 0.55 H new ATOM 410 N LEU A 24 -8.364 2.692 -0.961 1.00 0.44 N ATOM 411 CA LEU A 24 -7.176 1.882 -1.190 1.00 0.42 C ATOM 412 C LEU A 24 -7.430 0.445 -0.727 1.00 0.39 C ATOM 413 O LEU A 24 -7.104 -0.506 -1.429 1.00 0.44 O ATOM 414 CB LEU A 24 -5.946 2.505 -0.506 1.00 0.46 C ATOM 415 CG LEU A 24 -4.624 1.870 -0.979 1.00 0.57 C ATOM 416 CD1 LEU A 24 -4.355 2.090 -2.473 1.00 0.88 C ATOM 417 CD2 LEU A 24 -3.438 2.467 -0.217 1.00 1.18 C ATOM 0 H LEU A 24 -8.213 3.499 -0.355 1.00 0.44 H new ATOM 0 HA LEU A 24 -6.960 1.855 -2.258 1.00 0.42 H new ATOM 0 HB2 LEU A 24 -5.924 3.576 -0.709 1.00 0.46 H new ATOM 0 HB3 LEU A 24 -6.036 2.387 0.574 1.00 0.46 H new ATOM 0 HG LEU A 24 -4.728 0.802 -0.788 1.00 0.57 H new ATOM 0 HD11 LEU A 24 -3.410 1.620 -2.746 1.00 0.88 H new ATOM 0 HD12 LEU A 24 -5.162 1.648 -3.057 1.00 0.88 H new ATOM 0 HD13 LEU A 24 -4.301 3.159 -2.679 1.00 0.88 H new ATOM 0 HD21 LEU A 24 -2.513 2.006 -0.565 1.00 1.18 H new ATOM 0 HD22 LEU A 24 -3.396 3.542 -0.393 1.00 1.18 H new ATOM 0 HD23 LEU A 24 -3.559 2.278 0.850 1.00 1.18 H new ATOM 429 N GLY A 25 -8.058 0.287 0.439 1.00 0.38 N ATOM 430 CA GLY A 25 -8.491 -0.995 0.962 1.00 0.42 C ATOM 431 C GLY A 25 -9.273 -1.767 -0.094 1.00 0.49 C ATOM 432 O GLY A 25 -8.924 -2.900 -0.415 1.00 0.48 O ATOM 0 H GLY A 25 -8.281 1.069 1.055 1.00 0.38 H new ATOM 0 HA2 GLY A 25 -7.625 -1.576 1.279 1.00 0.42 H new ATOM 0 HA3 GLY A 25 -9.113 -0.843 1.844 1.00 0.42 H new ATOM 436 N LYS A 26 -10.306 -1.145 -0.668 1.00 0.61 N ATOM 437 CA LYS A 26 -11.098 -1.766 -1.719 1.00 0.78 C ATOM 438 C LYS A 26 -10.249 -2.096 -2.952 1.00 0.74 C ATOM 439 O LYS A 26 -10.392 -3.185 -3.501 1.00 0.81 O ATOM 440 CB LYS A 26 -12.313 -0.889 -2.053 1.00 1.01 C ATOM 441 CG LYS A 26 -13.225 -1.578 -3.081 1.00 2.09 C ATOM 442 CD LYS A 26 -14.541 -0.819 -3.321 1.00 2.18 C ATOM 443 CE LYS A 26 -15.434 -0.669 -2.078 1.00 2.63 C ATOM 444 NZ LYS A 26 -15.688 -1.957 -1.401 1.00 3.84 N ATOM 0 H LYS A 26 -10.611 -0.205 -0.416 1.00 0.61 H new ATOM 0 HA LYS A 26 -11.473 -2.722 -1.353 1.00 0.78 H new ATOM 0 HB2 LYS A 26 -12.877 -0.681 -1.144 1.00 1.01 H new ATOM 0 HB3 LYS A 26 -11.976 0.070 -2.446 1.00 1.01 H new ATOM 0 HG2 LYS A 26 -12.690 -1.675 -4.026 1.00 2.09 H new ATOM 0 HG3 LYS A 26 -13.452 -2.588 -2.738 1.00 2.09 H new ATOM 0 HD2 LYS A 26 -14.307 0.174 -3.705 1.00 2.18 H new ATOM 0 HD3 LYS A 26 -15.106 -1.336 -4.097 1.00 2.18 H new ATOM 0 HE2 LYS A 26 -14.961 0.019 -1.377 1.00 2.63 H new ATOM 0 HE3 LYS A 26 -16.385 -0.223 -2.370 1.00 2.63 H new ATOM 0 HZ1 LYS A 26 -16.362 -1.813 -0.622 1.00 3.84 H new ATOM 0 HZ2 LYS A 26 -16.086 -2.635 -2.082 1.00 3.84 H new ATOM 0 HZ3 LYS A 26 -14.795 -2.332 -1.022 1.00 3.84 H new ATOM 458 N MET A 27 -9.395 -1.171 -3.404 1.00 0.69 N ATOM 459 CA MET A 27 -8.529 -1.403 -4.560 1.00 0.81 C ATOM 460 C MET A 27 -7.665 -2.651 -4.350 1.00 0.63 C ATOM 461 O MET A 27 -7.581 -3.515 -5.219 1.00 0.73 O ATOM 462 CB MET A 27 -7.604 -0.200 -4.798 1.00 1.17 C ATOM 463 CG MET A 27 -8.304 1.078 -5.262 1.00 1.05 C ATOM 464 SD MET A 27 -8.869 1.074 -6.978 1.00 2.45 S ATOM 465 CE MET A 27 -9.273 2.826 -7.143 1.00 2.19 C ATOM 0 H MET A 27 -9.287 -0.249 -2.982 1.00 0.69 H new ATOM 0 HA MET A 27 -9.174 -1.546 -5.427 1.00 0.81 H new ATOM 0 HB2 MET A 27 -7.067 0.014 -3.874 1.00 1.17 H new ATOM 0 HB3 MET A 27 -6.858 -0.477 -5.543 1.00 1.17 H new ATOM 0 HG2 MET A 27 -9.163 1.257 -4.615 1.00 1.05 H new ATOM 0 HG3 MET A 27 -7.621 1.916 -5.124 1.00 1.05 H new ATOM 0 HE1 MET A 27 -9.644 3.021 -8.149 1.00 2.19 H new ATOM 0 HE2 MET A 27 -10.040 3.093 -6.416 1.00 2.19 H new ATOM 0 HE3 MET A 27 -8.379 3.424 -6.963 1.00 2.19 H new ATOM 475 N VAL A 28 -6.977 -2.705 -3.210 1.00 0.51 N ATOM 476 CA VAL A 28 -5.993 -3.736 -2.913 1.00 0.52 C ATOM 477 C VAL A 28 -6.689 -5.054 -2.563 1.00 0.57 C ATOM 478 O VAL A 28 -6.238 -6.125 -2.962 1.00 0.82 O ATOM 479 CB VAL A 28 -5.088 -3.257 -1.766 1.00 0.47 C ATOM 480 CG1 VAL A 28 -3.997 -4.288 -1.462 1.00 0.55 C ATOM 481 CG2 VAL A 28 -4.360 -1.958 -2.129 1.00 0.48 C ATOM 0 H VAL A 28 -7.092 -2.024 -2.460 1.00 0.51 H new ATOM 0 HA VAL A 28 -5.375 -3.917 -3.792 1.00 0.52 H new ATOM 0 HB VAL A 28 -5.743 -3.107 -0.908 1.00 0.47 H new ATOM 0 HG11 VAL A 28 -3.371 -3.925 -0.647 1.00 0.55 H new ATOM 0 HG12 VAL A 28 -4.459 -5.232 -1.172 1.00 0.55 H new ATOM 0 HG13 VAL A 28 -3.384 -4.442 -2.350 1.00 0.55 H new ATOM 0 HG21 VAL A 28 -3.730 -1.649 -1.295 1.00 0.48 H new ATOM 0 HG22 VAL A 28 -3.741 -2.122 -3.011 1.00 0.48 H new ATOM 0 HG23 VAL A 28 -5.091 -1.178 -2.340 1.00 0.48 H new ATOM 491 N GLY A 29 -7.763 -4.968 -1.779 1.00 0.49 N ATOM 492 CA GLY A 29 -8.465 -6.097 -1.193 1.00 0.55 C ATOM 493 C GLY A 29 -8.059 -6.282 0.269 1.00 0.49 C ATOM 494 O GLY A 29 -7.762 -7.397 0.689 1.00 0.58 O ATOM 0 H GLY A 29 -8.180 -4.072 -1.528 1.00 0.49 H new ATOM 0 HA2 GLY A 29 -9.541 -5.938 -1.260 1.00 0.55 H new ATOM 0 HA3 GLY A 29 -8.241 -7.003 -1.756 1.00 0.55 H new ATOM 498 N VAL A 30 -8.076 -5.198 1.054 1.00 0.39 N ATOM 499 CA VAL A 30 -7.937 -5.231 2.507 1.00 0.39 C ATOM 500 C VAL A 30 -8.890 -4.193 3.115 1.00 0.45 C ATOM 501 O VAL A 30 -9.570 -3.474 2.384 1.00 0.43 O ATOM 502 CB VAL A 30 -6.480 -4.993 2.953 1.00 0.37 C ATOM 503 CG1 VAL A 30 -5.448 -5.939 2.343 1.00 0.40 C ATOM 504 CG2 VAL A 30 -5.996 -3.571 2.673 1.00 0.37 C ATOM 0 H VAL A 30 -8.190 -4.254 0.684 1.00 0.39 H new ATOM 0 HA VAL A 30 -8.203 -6.225 2.868 1.00 0.39 H new ATOM 0 HB VAL A 30 -6.539 -5.186 4.024 1.00 0.37 H new ATOM 0 HG11 VAL A 30 -4.457 -5.688 2.720 1.00 0.40 H new ATOM 0 HG12 VAL A 30 -5.691 -6.966 2.615 1.00 0.40 H new ATOM 0 HG13 VAL A 30 -5.459 -5.839 1.258 1.00 0.40 H new ATOM 0 HG21 VAL A 30 -4.964 -3.465 3.009 1.00 0.37 H new ATOM 0 HG22 VAL A 30 -6.052 -3.372 1.603 1.00 0.37 H new ATOM 0 HG23 VAL A 30 -6.626 -2.860 3.207 1.00 0.37 H new ATOM 514 N SER A 31 -8.944 -4.087 4.446 1.00 0.62 N ATOM 515 CA SER A 31 -9.757 -3.088 5.122 1.00 0.67 C ATOM 516 C SER A 31 -9.044 -1.731 5.165 1.00 0.72 C ATOM 517 O SER A 31 -7.818 -1.647 5.073 1.00 0.84 O ATOM 518 CB SER A 31 -10.081 -3.589 6.534 1.00 0.78 C ATOM 519 OG SER A 31 -8.882 -3.852 7.238 1.00 0.90 O ATOM 0 H SER A 31 -8.423 -4.694 5.079 1.00 0.62 H new ATOM 0 HA SER A 31 -10.685 -2.941 4.569 1.00 0.67 H new ATOM 0 HB2 SER A 31 -10.670 -2.843 7.068 1.00 0.78 H new ATOM 0 HB3 SER A 31 -10.686 -4.494 6.478 1.00 0.78 H new ATOM 0 HG SER A 31 -9.095 -4.170 8.140 1.00 0.90 H new ATOM 525 N ASN A 32 -9.818 -0.664 5.384 1.00 0.71 N ATOM 526 CA ASN A 32 -9.290 0.646 5.753 1.00 0.78 C ATOM 527 C ASN A 32 -8.312 0.507 6.921 1.00 0.79 C ATOM 528 O ASN A 32 -7.220 1.073 6.894 1.00 0.79 O ATOM 529 CB ASN A 32 -10.432 1.610 6.125 1.00 0.82 C ATOM 530 CG ASN A 32 -11.230 1.153 7.346 1.00 1.64 C ATOM 531 OD1 ASN A 32 -11.493 -0.037 7.500 1.00 3.16 O ATOM 532 ND2 ASN A 32 -11.607 2.074 8.227 1.00 2.06 N ATOM 0 H ASN A 32 -10.835 -0.689 5.309 1.00 0.71 H new ATOM 0 HA ASN A 32 -8.761 1.059 4.895 1.00 0.78 H new ATOM 0 HB2 ASN A 32 -10.016 2.598 6.320 1.00 0.82 H new ATOM 0 HB3 ASN A 32 -11.106 1.710 5.275 1.00 0.82 H new ATOM 0 HD21 ASN A 32 -12.130 1.800 9.059 1.00 2.06 H new ATOM 0 HD22 ASN A 32 -11.373 3.055 8.071 1.00 2.06 H new ATOM 539 N VAL A 33 -8.707 -0.265 7.938 1.00 0.81 N ATOM 540 CA VAL A 33 -7.880 -0.548 9.095 1.00 0.87 C ATOM 541 C VAL A 33 -6.567 -1.155 8.623 1.00 0.81 C ATOM 542 O VAL A 33 -5.516 -0.624 8.955 1.00 0.89 O ATOM 543 CB VAL A 33 -8.626 -1.462 10.085 1.00 0.93 C ATOM 544 CG1 VAL A 33 -7.705 -1.916 11.226 1.00 1.02 C ATOM 545 CG2 VAL A 33 -9.833 -0.731 10.689 1.00 1.02 C ATOM 0 H VAL A 33 -9.623 -0.712 7.973 1.00 0.81 H new ATOM 0 HA VAL A 33 -7.658 0.374 9.633 1.00 0.87 H new ATOM 0 HB VAL A 33 -8.963 -2.336 9.527 1.00 0.93 H new ATOM 0 HG11 VAL A 33 -8.261 -2.560 11.908 1.00 1.02 H new ATOM 0 HG12 VAL A 33 -6.860 -2.468 10.814 1.00 1.02 H new ATOM 0 HG13 VAL A 33 -7.339 -1.044 11.768 1.00 1.02 H new ATOM 0 HG21 VAL A 33 -10.348 -1.393 11.386 1.00 1.02 H new ATOM 0 HG22 VAL A 33 -9.492 0.159 11.218 1.00 1.02 H new ATOM 0 HG23 VAL A 33 -10.518 -0.440 9.893 1.00 1.02 H new ATOM 555 N ALA A 34 -6.613 -2.234 7.837 1.00 0.72 N ATOM 556 CA ALA A 34 -5.406 -2.905 7.373 1.00 0.67 C ATOM 557 C ALA A 34 -4.467 -1.932 6.656 1.00 0.60 C ATOM 558 O ALA A 34 -3.291 -1.854 7.010 1.00 0.64 O ATOM 559 CB ALA A 34 -5.773 -4.080 6.471 1.00 0.62 C ATOM 0 H ALA A 34 -7.480 -2.660 7.510 1.00 0.72 H new ATOM 0 HA ALA A 34 -4.872 -3.288 8.242 1.00 0.67 H new ATOM 0 HB1 ALA A 34 -4.864 -4.575 6.130 1.00 0.62 H new ATOM 0 HB2 ALA A 34 -6.385 -4.789 7.028 1.00 0.62 H new ATOM 0 HB3 ALA A 34 -6.333 -3.716 5.610 1.00 0.62 H new ATOM 565 N ILE A 35 -4.978 -1.160 5.685 1.00 0.54 N ATOM 566 CA ILE A 35 -4.180 -0.094 5.076 1.00 0.53 C ATOM 567 C ILE A 35 -3.564 0.786 6.168 1.00 0.64 C ATOM 568 O ILE A 35 -2.367 1.061 6.143 1.00 0.65 O ATOM 569 CB ILE A 35 -4.994 0.782 4.103 1.00 0.54 C ATOM 570 CG1 ILE A 35 -5.628 0.028 2.925 1.00 0.48 C ATOM 571 CG2 ILE A 35 -4.108 1.904 3.543 1.00 0.58 C ATOM 572 CD1 ILE A 35 -4.634 -0.654 1.981 1.00 0.44 C ATOM 0 H ILE A 35 -5.923 -1.253 5.312 1.00 0.54 H new ATOM 0 HA ILE A 35 -3.396 -0.579 4.494 1.00 0.53 H new ATOM 0 HB ILE A 35 -5.818 1.173 4.699 1.00 0.54 H new ATOM 0 HG12 ILE A 35 -6.307 -0.727 3.320 1.00 0.48 H new ATOM 0 HG13 ILE A 35 -6.232 0.728 2.348 1.00 0.48 H new ATOM 0 HG21 ILE A 35 -4.690 2.519 2.856 1.00 0.58 H new ATOM 0 HG22 ILE A 35 -3.742 2.522 4.363 1.00 0.58 H new ATOM 0 HG23 ILE A 35 -3.262 1.468 3.012 1.00 0.58 H new ATOM 0 HD11 ILE A 35 -5.178 -1.159 1.183 1.00 0.44 H new ATOM 0 HD12 ILE A 35 -3.969 0.095 1.550 1.00 0.44 H new ATOM 0 HD13 ILE A 35 -4.046 -1.384 2.537 1.00 0.44 H new ATOM 584 N SER A 36 -4.381 1.252 7.115 1.00 0.77 N ATOM 585 CA SER A 36 -3.908 2.125 8.177 1.00 0.94 C ATOM 586 C SER A 36 -2.757 1.477 8.954 1.00 0.95 C ATOM 587 O SER A 36 -1.716 2.104 9.138 1.00 1.03 O ATOM 588 CB SER A 36 -5.065 2.567 9.084 1.00 1.13 C ATOM 589 OG SER A 36 -4.805 3.868 9.589 1.00 1.53 O ATOM 0 H SER A 36 -5.376 1.035 7.163 1.00 0.77 H new ATOM 0 HA SER A 36 -3.504 3.031 7.725 1.00 0.94 H new ATOM 0 HB2 SER A 36 -6.000 2.564 8.525 1.00 1.13 H new ATOM 0 HB3 SER A 36 -5.184 1.863 9.908 1.00 1.13 H new ATOM 0 HG SER A 36 -5.623 4.406 9.545 1.00 1.53 H new ATOM 595 N GLN A 37 -2.930 0.230 9.393 1.00 0.94 N ATOM 596 CA GLN A 37 -1.923 -0.523 10.124 1.00 1.01 C ATOM 597 C GLN A 37 -0.642 -0.642 9.301 1.00 0.87 C ATOM 598 O GLN A 37 0.456 -0.459 9.830 1.00 0.92 O ATOM 599 CB GLN A 37 -2.477 -1.900 10.512 1.00 1.13 C ATOM 600 CG GLN A 37 -3.634 -1.773 11.511 1.00 1.38 C ATOM 601 CD GLN A 37 -3.917 -3.103 12.196 1.00 1.47 C ATOM 602 OE1 GLN A 37 -4.677 -3.920 11.686 1.00 2.08 O ATOM 603 NE2 GLN A 37 -3.307 -3.333 13.352 1.00 2.19 N ATOM 0 H GLN A 37 -3.794 -0.291 9.245 1.00 0.94 H new ATOM 0 HA GLN A 37 -1.673 0.010 11.042 1.00 1.01 H new ATOM 0 HB2 GLN A 37 -2.821 -2.421 9.618 1.00 1.13 H new ATOM 0 HB3 GLN A 37 -1.682 -2.505 10.948 1.00 1.13 H new ATOM 0 HG2 GLN A 37 -3.390 -1.020 12.260 1.00 1.38 H new ATOM 0 HG3 GLN A 37 -4.529 -1.430 10.993 1.00 1.38 H new ATOM 0 HE21 GLN A 37 -2.681 -2.631 13.747 1.00 2.19 H new ATOM 0 HE22 GLN A 37 -3.464 -4.212 13.845 1.00 2.19 H new ATOM 612 N TRP A 38 -0.781 -0.915 8.000 1.00 0.77 N ATOM 613 CA TRP A 38 0.345 -0.904 7.085 1.00 0.72 C ATOM 614 C TRP A 38 1.051 0.447 7.099 1.00 0.74 C ATOM 615 O TRP A 38 2.251 0.496 7.348 1.00 0.83 O ATOM 616 CB TRP A 38 -0.086 -1.302 5.674 1.00 0.62 C ATOM 617 CG TRP A 38 -0.475 -2.725 5.455 1.00 0.59 C ATOM 618 CD1 TRP A 38 -0.200 -3.795 6.235 1.00 0.65 C ATOM 619 CD2 TRP A 38 -1.137 -3.248 4.280 1.00 0.51 C ATOM 620 NE1 TRP A 38 -0.629 -4.944 5.602 1.00 0.62 N ATOM 621 CE2 TRP A 38 -1.198 -4.663 4.377 1.00 0.53 C ATOM 622 CE3 TRP A 38 -1.635 -2.651 3.110 1.00 0.46 C ATOM 623 CZ2 TRP A 38 -1.728 -5.450 3.349 1.00 0.50 C ATOM 624 CZ3 TRP A 38 -2.118 -3.423 2.045 1.00 0.43 C ATOM 625 CH2 TRP A 38 -2.209 -4.822 2.182 1.00 0.46 C ATOM 0 H TRP A 38 -1.673 -1.147 7.562 1.00 0.77 H new ATOM 0 HA TRP A 38 1.063 -1.650 7.427 1.00 0.72 H new ATOM 0 HB2 TRP A 38 -0.930 -0.674 5.389 1.00 0.62 H new ATOM 0 HB3 TRP A 38 0.731 -1.067 4.992 1.00 0.62 H new ATOM 0 HD1 TRP A 38 0.280 -3.756 7.202 1.00 0.65 H new ATOM 0 HE1 TRP A 38 -0.537 -5.882 5.991 1.00 0.62 H new ATOM 0 HE3 TRP A 38 -1.646 -1.574 3.030 1.00 0.46 H new ATOM 0 HZ2 TRP A 38 -1.768 -6.525 3.448 1.00 0.50 H new ATOM 0 HZ3 TRP A 38 -2.419 -2.948 1.123 1.00 0.43 H new ATOM 0 HH2 TRP A 38 -2.648 -5.414 1.392 1.00 0.46 H new ATOM 636 N GLU A 39 0.349 1.559 6.864 1.00 0.74 N ATOM 637 CA GLU A 39 1.034 2.844 6.862 1.00 0.82 C ATOM 638 C GLU A 39 1.594 3.217 8.248 1.00 0.92 C ATOM 639 O GLU A 39 2.601 3.923 8.330 1.00 1.07 O ATOM 640 CB GLU A 39 0.219 3.950 6.170 1.00 1.22 C ATOM 641 CG GLU A 39 -1.197 4.162 6.700 1.00 1.20 C ATOM 642 CD GLU A 39 -1.709 5.565 6.457 1.00 1.53 C ATOM 643 OE1 GLU A 39 -1.346 6.426 7.293 1.00 2.53 O ATOM 644 OE2 GLU A 39 -2.539 5.762 5.538 1.00 2.15 O ATOM 0 H GLU A 39 -0.654 1.594 6.680 1.00 0.74 H new ATOM 0 HA GLU A 39 1.919 2.735 6.235 1.00 0.82 H new ATOM 0 HB2 GLU A 39 0.765 4.889 6.261 1.00 1.22 H new ATOM 0 HB3 GLU A 39 0.158 3.719 5.107 1.00 1.22 H new ATOM 0 HG2 GLU A 39 -1.869 3.447 6.225 1.00 1.20 H new ATOM 0 HG3 GLU A 39 -1.215 3.954 7.770 1.00 1.20 H new ATOM 651 N ARG A 40 0.972 2.788 9.354 1.00 1.06 N ATOM 652 CA ARG A 40 1.588 2.902 10.682 1.00 1.16 C ATOM 653 C ARG A 40 2.835 2.009 10.820 1.00 1.17 C ATOM 654 O ARG A 40 3.583 2.173 11.782 1.00 1.53 O ATOM 655 CB ARG A 40 0.613 2.526 11.812 1.00 1.58 C ATOM 656 CG ARG A 40 -0.335 3.613 12.349 1.00 1.65 C ATOM 657 CD ARG A 40 -1.767 3.509 11.817 1.00 2.32 C ATOM 658 NE ARG A 40 -1.984 4.371 10.644 1.00 3.69 N ATOM 659 CZ ARG A 40 -2.414 5.645 10.709 1.00 5.02 C ATOM 660 NH1 ARG A 40 -2.625 6.207 11.905 1.00 5.33 N ATOM 661 NH2 ARG A 40 -2.614 6.383 9.611 1.00 6.69 N ATOM 0 H ARG A 40 0.046 2.360 9.356 1.00 1.06 H new ATOM 0 HA ARG A 40 1.871 3.950 10.776 1.00 1.16 H new ATOM 0 HB2 ARG A 40 0.001 1.695 11.461 1.00 1.58 H new ATOM 0 HB3 ARG A 40 1.203 2.155 12.650 1.00 1.58 H new ATOM 0 HG2 ARG A 40 -0.358 3.556 13.437 1.00 1.65 H new ATOM 0 HG3 ARG A 40 0.068 4.592 12.090 1.00 1.65 H new ATOM 0 HD2 ARG A 40 -1.980 2.474 11.550 1.00 2.32 H new ATOM 0 HD3 ARG A 40 -2.467 3.786 12.605 1.00 2.32 H new ATOM 0 HE ARG A 40 -1.796 3.978 9.722 1.00 3.69 H new ATOM 0 HH11 ARG A 40 -2.460 5.671 12.757 1.00 5.33 H new ATOM 0 HH12 ARG A 40 -2.951 7.172 11.965 1.00 5.33 H new ATOM 0 HH21 ARG A 40 -2.440 5.983 8.689 1.00 6.69 H new ATOM 0 HH22 ARG A 40 -2.940 7.346 9.696 1.00 6.69 H new ATOM 675 N SER A 41 3.043 1.044 9.919 1.00 1.26 N ATOM 676 CA SER A 41 4.013 -0.036 10.055 1.00 1.70 C ATOM 677 C SER A 41 3.796 -0.831 11.349 1.00 1.31 C ATOM 678 O SER A 41 4.749 -1.279 11.981 1.00 1.52 O ATOM 679 CB SER A 41 5.456 0.429 9.795 1.00 2.79 C ATOM 680 OG SER A 41 5.787 1.669 10.388 1.00 3.84 O ATOM 0 H SER A 41 2.519 0.996 9.045 1.00 1.26 H new ATOM 0 HA SER A 41 3.833 -0.756 9.257 1.00 1.70 H new ATOM 0 HB2 SER A 41 6.142 -0.332 10.166 1.00 2.79 H new ATOM 0 HB3 SER A 41 5.613 0.502 8.719 1.00 2.79 H new ATOM 0 HG SER A 41 5.245 1.802 11.193 1.00 3.84 H new ATOM 686 N GLU A 42 2.526 -1.061 11.704 1.00 1.29 N ATOM 687 CA GLU A 42 2.155 -2.057 12.704 1.00 1.52 C ATOM 688 C GLU A 42 2.369 -3.451 12.113 1.00 1.40 C ATOM 689 O GLU A 42 2.835 -4.364 12.788 1.00 1.73 O ATOM 690 CB GLU A 42 0.679 -1.888 13.081 1.00 1.91 C ATOM 691 CG GLU A 42 0.399 -0.594 13.849 1.00 2.38 C ATOM 692 CD GLU A 42 -1.098 -0.320 13.913 1.00 2.54 C ATOM 693 OE1 GLU A 42 -1.828 -1.277 14.251 1.00 2.63 O ATOM 694 OE2 GLU A 42 -1.494 0.815 13.573 1.00 3.46 O ATOM 0 H GLU A 42 1.732 -0.561 11.304 1.00 1.29 H new ATOM 0 HA GLU A 42 2.769 -1.929 13.595 1.00 1.52 H new ATOM 0 HB2 GLU A 42 0.075 -1.903 12.174 1.00 1.91 H new ATOM 0 HB3 GLU A 42 0.365 -2.738 13.687 1.00 1.91 H new ATOM 0 HG2 GLU A 42 0.804 -0.669 14.858 1.00 2.38 H new ATOM 0 HG3 GLU A 42 0.906 0.240 13.364 1.00 2.38 H new ATOM 701 N THR A 43 1.994 -3.605 10.841 1.00 1.20 N ATOM 702 CA THR A 43 2.206 -4.797 10.039 1.00 1.13 C ATOM 703 C THR A 43 2.683 -4.325 8.664 1.00 1.03 C ATOM 704 O THR A 43 2.683 -3.123 8.406 1.00 1.00 O ATOM 705 CB THR A 43 0.900 -5.603 9.952 1.00 1.13 C ATOM 706 OG1 THR A 43 -0.169 -4.765 9.562 1.00 1.06 O ATOM 707 CG2 THR A 43 0.545 -6.248 11.295 1.00 1.41 C ATOM 0 H THR A 43 1.514 -2.867 10.326 1.00 1.20 H new ATOM 0 HA THR A 43 2.953 -5.458 10.479 1.00 1.13 H new ATOM 0 HB THR A 43 1.056 -6.387 9.211 1.00 1.13 H new ATOM 0 HG1 THR A 43 -0.994 -5.291 9.509 1.00 1.06 H new ATOM 0 HG21 THR A 43 -0.384 -6.809 11.195 1.00 1.41 H new ATOM 0 HG22 THR A 43 1.346 -6.923 11.598 1.00 1.41 H new ATOM 0 HG23 THR A 43 0.420 -5.472 12.050 1.00 1.41 H new ATOM 715 N GLU A 44 3.073 -5.259 7.795 1.00 1.08 N ATOM 716 CA GLU A 44 3.505 -5.019 6.425 1.00 1.04 C ATOM 717 C GLU A 44 2.806 -6.076 5.558 1.00 0.84 C ATOM 718 O GLU A 44 2.482 -7.148 6.073 1.00 1.00 O ATOM 719 CB GLU A 44 5.032 -5.170 6.359 1.00 1.43 C ATOM 720 CG GLU A 44 5.767 -3.996 7.028 1.00 2.72 C ATOM 721 CD GLU A 44 6.157 -2.918 6.027 1.00 3.53 C ATOM 722 OE1 GLU A 44 7.163 -3.151 5.325 1.00 3.84 O ATOM 723 OE2 GLU A 44 5.491 -1.861 5.963 1.00 4.63 O ATOM 0 H GLU A 44 3.096 -6.248 8.043 1.00 1.08 H new ATOM 0 HA GLU A 44 3.250 -4.019 6.075 1.00 1.04 H new ATOM 0 HB2 GLU A 44 5.324 -6.101 6.844 1.00 1.43 H new ATOM 0 HB3 GLU A 44 5.342 -5.243 5.317 1.00 1.43 H new ATOM 0 HG2 GLU A 44 5.129 -3.561 7.798 1.00 2.72 H new ATOM 0 HG3 GLU A 44 6.662 -4.367 7.527 1.00 2.72 H new ATOM 730 N PRO A 45 2.541 -5.800 4.273 1.00 0.65 N ATOM 731 CA PRO A 45 1.995 -6.785 3.349 1.00 0.60 C ATOM 732 C PRO A 45 3.039 -7.860 3.025 1.00 0.72 C ATOM 733 O PRO A 45 4.236 -7.634 3.192 1.00 1.02 O ATOM 734 CB PRO A 45 1.661 -5.991 2.087 1.00 0.56 C ATOM 735 CG PRO A 45 2.676 -4.848 2.109 1.00 0.58 C ATOM 736 CD PRO A 45 2.803 -4.539 3.599 1.00 0.64 C ATOM 0 HA PRO A 45 1.128 -7.297 3.766 1.00 0.60 H new ATOM 0 HB2 PRO A 45 1.762 -6.601 1.190 1.00 0.56 H new ATOM 0 HB3 PRO A 45 0.637 -5.619 2.105 1.00 0.56 H new ATOM 0 HG2 PRO A 45 3.630 -5.146 1.675 1.00 0.58 H new ATOM 0 HG3 PRO A 45 2.325 -3.984 1.545 1.00 0.58 H new ATOM 0 HD2 PRO A 45 3.797 -4.163 3.840 1.00 0.64 H new ATOM 0 HD3 PRO A 45 2.090 -3.773 3.905 1.00 0.64 H new ATOM 744 N ASN A 46 2.590 -9.003 2.495 1.00 0.60 N ATOM 745 CA ASN A 46 3.446 -10.013 1.876 1.00 0.68 C ATOM 746 C ASN A 46 3.197 -10.051 0.381 1.00 0.70 C ATOM 747 O ASN A 46 2.258 -9.427 -0.092 1.00 0.63 O ATOM 748 CB ASN A 46 3.145 -11.405 2.446 1.00 0.73 C ATOM 749 CG ASN A 46 1.808 -11.948 1.925 1.00 0.95 C ATOM 750 OD1 ASN A 46 0.832 -11.208 1.821 1.00 1.44 O ATOM 751 ND2 ASN A 46 1.781 -13.218 1.537 1.00 1.74 N ATOM 0 H ASN A 46 1.601 -9.254 2.486 1.00 0.60 H new ATOM 0 HA ASN A 46 4.483 -9.749 2.085 1.00 0.68 H new ATOM 0 HB2 ASN A 46 3.948 -12.091 2.176 1.00 0.73 H new ATOM 0 HB3 ASN A 46 3.120 -11.356 3.535 1.00 0.73 H new ATOM 0 HD21 ASN A 46 0.929 -13.611 1.136 1.00 1.74 H new ATOM 0 HD22 ASN A 46 2.612 -13.800 1.640 1.00 1.74 H new ATOM 758 N GLY A 47 4.017 -10.823 -0.336 1.00 0.81 N ATOM 759 CA GLY A 47 4.051 -10.927 -1.794 1.00 0.81 C ATOM 760 C GLY A 47 2.688 -10.746 -2.470 1.00 0.68 C ATOM 761 O GLY A 47 2.525 -9.887 -3.335 1.00 0.53 O ATOM 0 H GLY A 47 4.711 -11.423 0.110 1.00 0.81 H new ATOM 0 HA2 GLY A 47 4.740 -10.178 -2.184 1.00 0.81 H new ATOM 0 HA3 GLY A 47 4.453 -11.902 -2.068 1.00 0.81 H new ATOM 765 N GLU A 48 1.702 -11.546 -2.064 1.00 0.88 N ATOM 766 CA GLU A 48 0.362 -11.520 -2.627 1.00 0.94 C ATOM 767 C GLU A 48 -0.253 -10.126 -2.501 1.00 0.72 C ATOM 768 O GLU A 48 -0.753 -9.552 -3.467 1.00 0.73 O ATOM 769 CB GLU A 48 -0.495 -12.541 -1.869 1.00 1.35 C ATOM 770 CG GLU A 48 0.052 -13.973 -1.961 1.00 2.60 C ATOM 771 CD GLU A 48 -0.549 -14.831 -0.859 1.00 3.62 C ATOM 772 OE1 GLU A 48 -0.194 -14.548 0.307 1.00 4.21 O ATOM 773 OE2 GLU A 48 -1.350 -15.725 -1.197 1.00 4.56 O ATOM 0 H GLU A 48 1.819 -12.238 -1.324 1.00 0.88 H new ATOM 0 HA GLU A 48 0.405 -11.771 -3.687 1.00 0.94 H new ATOM 0 HB2 GLU A 48 -0.556 -12.248 -0.821 1.00 1.35 H new ATOM 0 HB3 GLU A 48 -1.510 -12.520 -2.265 1.00 1.35 H new ATOM 0 HG2 GLU A 48 -0.185 -14.400 -2.936 1.00 2.60 H new ATOM 0 HG3 GLU A 48 1.138 -13.962 -1.873 1.00 2.60 H new ATOM 780 N ASN A 49 -0.226 -9.582 -1.286 1.00 0.64 N ATOM 781 CA ASN A 49 -0.795 -8.274 -1.013 1.00 0.48 C ATOM 782 C ASN A 49 0.062 -7.199 -1.669 1.00 0.42 C ATOM 783 O ASN A 49 -0.481 -6.323 -2.321 1.00 0.57 O ATOM 784 CB ASN A 49 -0.968 -8.059 0.497 1.00 0.51 C ATOM 785 CG ASN A 49 -2.285 -8.633 1.026 1.00 0.81 C ATOM 786 OD1 ASN A 49 -2.870 -8.100 1.960 1.00 1.54 O ATOM 787 ND2 ASN A 49 -2.786 -9.711 0.432 1.00 0.72 N ATOM 0 H ASN A 49 0.189 -10.035 -0.472 1.00 0.64 H new ATOM 0 HA ASN A 49 -1.793 -8.209 -1.446 1.00 0.48 H new ATOM 0 HB2 ASN A 49 -0.135 -8.524 1.024 1.00 0.51 H new ATOM 0 HB3 ASN A 49 -0.927 -6.992 0.715 1.00 0.51 H new ATOM 0 HD21 ASN A 49 -3.670 -10.106 0.753 1.00 0.72 H new ATOM 0 HD22 ASN A 49 -2.287 -10.144 -0.345 1.00 0.72 H new ATOM 794 N LEU A 50 1.386 -7.278 -1.550 1.00 0.46 N ATOM 795 CA LEU A 50 2.377 -6.433 -2.205 1.00 0.41 C ATOM 796 C LEU A 50 2.014 -6.281 -3.691 1.00 0.38 C ATOM 797 O LEU A 50 1.902 -5.161 -4.187 1.00 0.35 O ATOM 798 CB LEU A 50 3.764 -7.071 -1.958 1.00 0.44 C ATOM 799 CG LEU A 50 5.002 -6.195 -2.208 1.00 0.54 C ATOM 800 CD1 LEU A 50 5.094 -5.665 -3.640 1.00 1.60 C ATOM 801 CD2 LEU A 50 5.107 -5.036 -1.215 1.00 1.44 C ATOM 0 H LEU A 50 1.822 -7.981 -0.953 1.00 0.46 H new ATOM 0 HA LEU A 50 2.399 -5.421 -1.800 1.00 0.41 H new ATOM 0 HB2 LEU A 50 3.797 -7.414 -0.924 1.00 0.44 H new ATOM 0 HB3 LEU A 50 3.845 -7.956 -2.590 1.00 0.44 H new ATOM 0 HG LEU A 50 5.849 -6.863 -2.052 1.00 0.54 H new ATOM 0 HD11 LEU A 50 5.991 -5.055 -3.745 1.00 1.60 H new ATOM 0 HD12 LEU A 50 5.141 -6.503 -4.336 1.00 1.60 H new ATOM 0 HD13 LEU A 50 4.215 -5.059 -3.861 1.00 1.60 H new ATOM 0 HD21 LEU A 50 5.998 -4.448 -1.435 1.00 1.44 H new ATOM 0 HD22 LEU A 50 4.224 -4.402 -1.301 1.00 1.44 H new ATOM 0 HD23 LEU A 50 5.174 -5.430 -0.201 1.00 1.44 H new ATOM 813 N LEU A 51 1.756 -7.381 -4.407 1.00 0.42 N ATOM 814 CA LEU A 51 1.338 -7.310 -5.806 1.00 0.47 C ATOM 815 C LEU A 51 0.084 -6.443 -5.992 1.00 0.45 C ATOM 816 O LEU A 51 -0.056 -5.761 -7.013 1.00 0.66 O ATOM 817 CB LEU A 51 1.088 -8.723 -6.351 1.00 0.55 C ATOM 818 CG LEU A 51 2.388 -9.503 -6.605 1.00 0.88 C ATOM 819 CD1 LEU A 51 2.099 -11.008 -6.629 1.00 2.32 C ATOM 820 CD2 LEU A 51 3.015 -9.100 -7.945 1.00 1.29 C ATOM 0 H LEU A 51 1.830 -8.329 -4.038 1.00 0.42 H new ATOM 0 HA LEU A 51 2.146 -6.839 -6.366 1.00 0.47 H new ATOM 0 HB2 LEU A 51 0.470 -9.276 -5.643 1.00 0.55 H new ATOM 0 HB3 LEU A 51 0.524 -8.654 -7.281 1.00 0.55 H new ATOM 0 HG LEU A 51 3.083 -9.268 -5.799 1.00 0.88 H new ATOM 0 HD11 LEU A 51 3.025 -11.554 -6.810 1.00 2.32 H new ATOM 0 HD12 LEU A 51 1.679 -11.313 -5.671 1.00 2.32 H new ATOM 0 HD13 LEU A 51 1.387 -11.229 -7.424 1.00 2.32 H new ATOM 0 HD21 LEU A 51 3.933 -9.666 -8.102 1.00 1.29 H new ATOM 0 HD22 LEU A 51 2.315 -9.313 -8.753 1.00 1.29 H new ATOM 0 HD23 LEU A 51 3.243 -8.034 -7.934 1.00 1.29 H new ATOM 832 N ALA A 52 -0.859 -6.498 -5.051 1.00 0.45 N ATOM 833 CA ALA A 52 -2.084 -5.708 -5.086 1.00 0.50 C ATOM 834 C ALA A 52 -1.825 -4.246 -4.699 1.00 0.51 C ATOM 835 O ALA A 52 -2.298 -3.345 -5.390 1.00 0.62 O ATOM 836 CB ALA A 52 -3.157 -6.385 -4.234 1.00 0.50 C ATOM 0 H ALA A 52 -0.790 -7.102 -4.232 1.00 0.45 H new ATOM 0 HA ALA A 52 -2.460 -5.669 -6.108 1.00 0.50 H new ATOM 0 HB1 ALA A 52 -4.071 -5.792 -4.262 1.00 0.50 H new ATOM 0 HB2 ALA A 52 -3.358 -7.382 -4.627 1.00 0.50 H new ATOM 0 HB3 ALA A 52 -2.808 -6.465 -3.205 1.00 0.50 H new ATOM 842 N LEU A 53 -1.043 -4.003 -3.641 1.00 0.45 N ATOM 843 CA LEU A 53 -0.557 -2.689 -3.245 1.00 0.49 C ATOM 844 C LEU A 53 0.013 -1.990 -4.470 1.00 0.46 C ATOM 845 O LEU A 53 -0.412 -0.890 -4.805 1.00 0.53 O ATOM 846 CB LEU A 53 0.566 -2.806 -2.192 1.00 0.54 C ATOM 847 CG LEU A 53 0.285 -2.693 -0.705 1.00 0.82 C ATOM 848 CD1 LEU A 53 -0.662 -1.531 -0.392 1.00 1.87 C ATOM 849 CD2 LEU A 53 -0.097 -4.054 -0.149 1.00 2.56 C ATOM 0 H LEU A 53 -0.724 -4.746 -3.019 1.00 0.45 H new ATOM 0 HA LEU A 53 -1.388 -2.128 -2.818 1.00 0.49 H new ATOM 0 HB2 LEU A 53 1.046 -3.772 -2.349 1.00 0.54 H new ATOM 0 HB3 LEU A 53 1.304 -2.041 -2.432 1.00 0.54 H new ATOM 0 HG LEU A 53 1.189 -2.414 -0.164 1.00 0.82 H new ATOM 0 HD11 LEU A 53 -0.838 -1.484 0.683 1.00 1.87 H new ATOM 0 HD12 LEU A 53 -0.214 -0.596 -0.727 1.00 1.87 H new ATOM 0 HD13 LEU A 53 -1.610 -1.685 -0.908 1.00 1.87 H new ATOM 0 HD21 LEU A 53 -0.298 -3.968 0.919 1.00 2.56 H new ATOM 0 HD22 LEU A 53 -0.990 -4.417 -0.658 1.00 2.56 H new ATOM 0 HD23 LEU A 53 0.722 -4.755 -0.309 1.00 2.56 H new ATOM 861 N SER A 54 0.979 -2.631 -5.129 1.00 0.41 N ATOM 862 CA SER A 54 1.712 -2.012 -6.219 1.00 0.47 C ATOM 863 C SER A 54 0.754 -1.476 -7.276 1.00 0.54 C ATOM 864 O SER A 54 0.776 -0.287 -7.592 1.00 0.70 O ATOM 865 CB SER A 54 2.718 -2.990 -6.829 1.00 0.45 C ATOM 866 OG SER A 54 3.462 -3.634 -5.823 1.00 1.49 O ATOM 0 H SER A 54 1.269 -3.586 -4.920 1.00 0.41 H new ATOM 0 HA SER A 54 2.274 -1.169 -5.816 1.00 0.47 H new ATOM 0 HB2 SER A 54 2.192 -3.732 -7.430 1.00 0.45 H new ATOM 0 HB3 SER A 54 3.391 -2.455 -7.499 1.00 0.45 H new ATOM 0 HG SER A 54 2.894 -4.287 -5.364 1.00 1.49 H new ATOM 872 N LYS A 55 -0.120 -2.343 -7.795 1.00 0.56 N ATOM 873 CA LYS A 55 -1.077 -1.902 -8.795 1.00 0.73 C ATOM 874 C LYS A 55 -1.995 -0.824 -8.214 1.00 0.68 C ATOM 875 O LYS A 55 -2.180 0.208 -8.854 1.00 0.81 O ATOM 876 CB LYS A 55 -1.811 -3.075 -9.459 1.00 0.93 C ATOM 877 CG LYS A 55 -2.672 -3.905 -8.500 1.00 1.58 C ATOM 878 CD LYS A 55 -3.422 -5.041 -9.213 1.00 2.27 C ATOM 879 CE LYS A 55 -2.515 -6.103 -9.856 1.00 3.43 C ATOM 880 NZ LYS A 55 -1.667 -6.803 -8.869 1.00 4.64 N ATOM 0 H LYS A 55 -0.180 -3.330 -7.543 1.00 0.56 H new ATOM 0 HA LYS A 55 -0.535 -1.432 -9.616 1.00 0.73 H new ATOM 0 HB2 LYS A 55 -2.446 -2.687 -10.255 1.00 0.93 H new ATOM 0 HB3 LYS A 55 -1.076 -3.730 -9.928 1.00 0.93 H new ATOM 0 HG2 LYS A 55 -2.038 -4.327 -7.720 1.00 1.58 H new ATOM 0 HG3 LYS A 55 -3.392 -3.252 -8.007 1.00 1.58 H new ATOM 0 HD2 LYS A 55 -4.080 -5.531 -8.495 1.00 2.27 H new ATOM 0 HD3 LYS A 55 -4.058 -4.610 -9.986 1.00 2.27 H new ATOM 0 HE2 LYS A 55 -3.132 -6.832 -10.381 1.00 3.43 H new ATOM 0 HE3 LYS A 55 -1.879 -5.628 -10.603 1.00 3.43 H new ATOM 0 HZ1 LYS A 55 -1.028 -7.459 -9.363 1.00 4.64 H new ATOM 0 HZ2 LYS A 55 -1.106 -6.107 -8.338 1.00 4.64 H new ATOM 0 HZ3 LYS A 55 -2.269 -7.337 -8.210 1.00 4.64 H new ATOM 894 N ALA A 56 -2.526 -1.005 -6.995 1.00 0.60 N ATOM 895 CA ALA A 56 -3.413 0.007 -6.429 1.00 0.60 C ATOM 896 C ALA A 56 -2.743 1.371 -6.264 1.00 0.69 C ATOM 897 O ALA A 56 -3.386 2.415 -6.344 1.00 0.86 O ATOM 898 CB ALA A 56 -3.992 -0.482 -5.109 1.00 0.51 C ATOM 0 H ALA A 56 -2.360 -1.818 -6.402 1.00 0.60 H new ATOM 0 HA ALA A 56 -4.223 0.156 -7.144 1.00 0.60 H new ATOM 0 HB1 ALA A 56 -4.652 0.281 -4.696 1.00 0.51 H new ATOM 0 HB2 ALA A 56 -4.558 -1.399 -5.277 1.00 0.51 H new ATOM 0 HB3 ALA A 56 -3.182 -0.679 -4.407 1.00 0.51 H new ATOM 904 N LEU A 57 -1.437 1.339 -6.035 1.00 0.64 N ATOM 905 CA LEU A 57 -0.580 2.503 -5.884 1.00 0.70 C ATOM 906 C LEU A 57 0.089 2.901 -7.203 1.00 0.79 C ATOM 907 O LEU A 57 0.964 3.766 -7.185 1.00 0.95 O ATOM 908 CB LEU A 57 0.469 2.237 -4.794 1.00 0.69 C ATOM 909 CG LEU A 57 -0.142 2.045 -3.396 1.00 0.69 C ATOM 910 CD1 LEU A 57 0.979 1.658 -2.428 1.00 1.02 C ATOM 911 CD2 LEU A 57 -0.845 3.315 -2.896 1.00 0.82 C ATOM 0 H LEU A 57 -0.925 0.461 -5.946 1.00 0.64 H new ATOM 0 HA LEU A 57 -1.204 3.344 -5.583 1.00 0.70 H new ATOM 0 HB2 LEU A 57 1.040 1.347 -5.059 1.00 0.69 H new ATOM 0 HB3 LEU A 57 1.172 3.070 -4.765 1.00 0.69 H new ATOM 0 HG LEU A 57 -0.896 1.260 -3.451 1.00 0.69 H new ATOM 0 HD11 LEU A 57 0.565 1.517 -1.430 1.00 1.02 H new ATOM 0 HD12 LEU A 57 1.444 0.731 -2.762 1.00 1.02 H new ATOM 0 HD13 LEU A 57 1.727 2.450 -2.402 1.00 1.02 H new ATOM 0 HD21 LEU A 57 -1.262 3.134 -1.905 1.00 0.82 H new ATOM 0 HD22 LEU A 57 -0.126 4.132 -2.843 1.00 0.82 H new ATOM 0 HD23 LEU A 57 -1.647 3.582 -3.584 1.00 0.82 H new ATOM 923 N GLN A 58 -0.329 2.331 -8.340 1.00 0.80 N ATOM 924 CA GLN A 58 0.154 2.674 -9.671 1.00 0.94 C ATOM 925 C GLN A 58 1.664 2.431 -9.811 1.00 0.81 C ATOM 926 O GLN A 58 2.416 3.344 -10.165 1.00 1.01 O ATOM 927 CB GLN A 58 -0.245 4.117 -10.035 1.00 1.29 C ATOM 928 CG GLN A 58 -1.753 4.381 -9.893 1.00 1.54 C ATOM 929 CD GLN A 58 -2.590 3.569 -10.875 1.00 1.47 C ATOM 930 OE1 GLN A 58 -3.476 2.819 -10.484 1.00 2.49 O ATOM 931 NE2 GLN A 58 -2.323 3.724 -12.168 1.00 2.94 N ATOM 0 H GLN A 58 -1.036 1.595 -8.352 1.00 0.80 H new ATOM 0 HA GLN A 58 -0.327 2.009 -10.389 1.00 0.94 H new ATOM 0 HB2 GLN A 58 0.301 4.811 -9.395 1.00 1.29 H new ATOM 0 HB3 GLN A 58 0.059 4.323 -11.061 1.00 1.29 H new ATOM 0 HG2 GLN A 58 -2.064 4.145 -8.875 1.00 1.54 H new ATOM 0 HG3 GLN A 58 -1.948 5.442 -10.048 1.00 1.54 H new ATOM 0 HE21 GLN A 58 -1.579 4.356 -12.463 1.00 2.94 H new ATOM 0 HE22 GLN A 58 -2.862 3.211 -12.865 1.00 2.94 H new ATOM 940 N CYS A 59 2.113 1.203 -9.542 1.00 0.60 N ATOM 941 CA CYS A 59 3.495 0.782 -9.747 1.00 0.63 C ATOM 942 C CYS A 59 3.609 -0.748 -9.754 1.00 0.61 C ATOM 943 O CYS A 59 2.623 -1.454 -9.547 1.00 0.60 O ATOM 944 CB CYS A 59 4.422 1.389 -8.689 1.00 0.83 C ATOM 945 SG CYS A 59 4.056 0.667 -7.076 1.00 0.74 S ATOM 0 H CYS A 59 1.516 0.465 -9.170 1.00 0.60 H new ATOM 0 HA CYS A 59 3.811 1.151 -10.723 1.00 0.63 H new ATOM 0 HB2 CYS A 59 5.463 1.204 -8.954 1.00 0.83 H new ATOM 0 HB3 CYS A 59 4.290 2.470 -8.653 1.00 0.83 H new ATOM 0 HG CYS A 59 5.051 0.884 -6.268 1.00 0.74 H new ATOM 951 N SER A 60 4.806 -1.256 -10.052 1.00 0.81 N ATOM 952 CA SER A 60 5.169 -2.662 -10.150 1.00 0.94 C ATOM 953 C SER A 60 5.718 -3.174 -8.802 1.00 0.87 C ATOM 954 O SER A 60 6.161 -2.367 -7.991 1.00 0.93 O ATOM 955 CB SER A 60 6.199 -2.704 -11.283 1.00 1.27 C ATOM 956 OG SER A 60 7.162 -1.685 -11.071 1.00 1.38 O ATOM 0 H SER A 60 5.602 -0.647 -10.244 1.00 0.81 H new ATOM 0 HA SER A 60 4.327 -3.318 -10.368 1.00 0.94 H new ATOM 0 HB2 SER A 60 6.684 -3.680 -11.314 1.00 1.27 H new ATOM 0 HB3 SER A 60 5.706 -2.562 -12.245 1.00 1.27 H new ATOM 0 HG SER A 60 8.049 -2.014 -11.327 1.00 1.38 H new ATOM 962 N PRO A 61 5.698 -4.486 -8.507 1.00 0.86 N ATOM 963 CA PRO A 61 6.171 -5.019 -7.227 1.00 0.85 C ATOM 964 C PRO A 61 7.627 -4.634 -6.949 1.00 0.96 C ATOM 965 O PRO A 61 7.981 -4.198 -5.850 1.00 1.00 O ATOM 966 CB PRO A 61 5.974 -6.536 -7.312 1.00 0.89 C ATOM 967 CG PRO A 61 5.942 -6.819 -8.815 1.00 0.94 C ATOM 968 CD PRO A 61 5.281 -5.565 -9.386 1.00 0.95 C ATOM 0 HA PRO A 61 5.612 -4.599 -6.390 1.00 0.85 H new ATOM 0 HB2 PRO A 61 6.786 -7.072 -6.822 1.00 0.89 H new ATOM 0 HB3 PRO A 61 5.048 -6.847 -6.827 1.00 0.89 H new ATOM 0 HG2 PRO A 61 6.943 -6.967 -9.219 1.00 0.94 H new ATOM 0 HG3 PRO A 61 5.369 -7.718 -9.045 1.00 0.94 H new ATOM 0 HD2 PRO A 61 5.600 -5.383 -10.412 1.00 0.95 H new ATOM 0 HD3 PRO A 61 4.196 -5.664 -9.402 1.00 0.95 H new ATOM 976 N ASP A 62 8.461 -4.762 -7.978 1.00 1.11 N ATOM 977 CA ASP A 62 9.834 -4.283 -8.012 1.00 1.33 C ATOM 978 C ASP A 62 9.956 -2.833 -7.543 1.00 1.46 C ATOM 979 O ASP A 62 10.958 -2.495 -6.919 1.00 1.72 O ATOM 980 CB ASP A 62 10.415 -4.467 -9.420 1.00 1.64 C ATOM 981 CG ASP A 62 9.406 -4.057 -10.474 1.00 2.53 C ATOM 982 OD1 ASP A 62 8.471 -4.868 -10.656 1.00 4.08 O ATOM 983 OD2 ASP A 62 9.507 -2.926 -10.992 1.00 2.78 O ATOM 0 H ASP A 62 8.184 -5.222 -8.845 1.00 1.11 H new ATOM 0 HA ASP A 62 10.415 -4.880 -7.309 1.00 1.33 H new ATOM 0 HB2 ASP A 62 11.321 -3.871 -9.526 1.00 1.64 H new ATOM 0 HB3 ASP A 62 10.700 -5.509 -9.568 1.00 1.64 H new ATOM 988 N TYR A 63 8.960 -1.977 -7.784 1.00 1.38 N ATOM 989 CA TYR A 63 8.991 -0.602 -7.303 1.00 1.45 C ATOM 990 C TYR A 63 9.154 -0.567 -5.788 1.00 1.35 C ATOM 991 O TYR A 63 9.910 0.239 -5.261 1.00 1.57 O ATOM 992 CB TYR A 63 7.712 0.126 -7.738 1.00 1.41 C ATOM 993 CG TYR A 63 7.704 1.622 -7.514 1.00 1.58 C ATOM 994 CD1 TYR A 63 7.461 2.138 -6.228 1.00 1.60 C ATOM 995 CD2 TYR A 63 7.932 2.499 -8.590 1.00 3.01 C ATOM 996 CE1 TYR A 63 7.503 3.519 -6.004 1.00 1.67 C ATOM 997 CE2 TYR A 63 7.988 3.884 -8.361 1.00 3.35 C ATOM 998 CZ TYR A 63 7.859 4.375 -7.053 1.00 2.25 C ATOM 999 OH TYR A 63 7.875 5.716 -6.828 1.00 2.68 O ATOM 0 H TYR A 63 8.121 -2.217 -8.312 1.00 1.38 H new ATOM 0 HA TYR A 63 9.849 -0.090 -7.739 1.00 1.45 H new ATOM 0 HB2 TYR A 63 7.549 -0.066 -8.799 1.00 1.41 H new ATOM 0 HB3 TYR A 63 6.868 -0.308 -7.202 1.00 1.41 H new ATOM 0 HD1 TYR A 63 7.241 1.467 -5.411 1.00 1.60 H new ATOM 0 HD2 TYR A 63 8.064 2.109 -9.589 1.00 3.01 H new ATOM 0 HE1 TYR A 63 7.263 3.921 -5.031 1.00 1.67 H new ATOM 0 HE2 TYR A 63 8.129 4.566 -9.186 1.00 3.35 H new ATOM 0 HH TYR A 63 8.799 6.015 -6.696 1.00 2.68 H new ATOM 1009 N LEU A 64 8.439 -1.428 -5.068 1.00 1.16 N ATOM 1010 CA LEU A 64 8.480 -1.493 -3.614 1.00 1.28 C ATOM 1011 C LEU A 64 9.632 -2.361 -3.124 1.00 1.55 C ATOM 1012 O LEU A 64 10.223 -2.046 -2.094 1.00 1.81 O ATOM 1013 CB LEU A 64 7.116 -1.961 -3.112 1.00 1.21 C ATOM 1014 CG LEU A 64 6.109 -0.866 -3.498 1.00 1.09 C ATOM 1015 CD1 LEU A 64 4.929 -1.455 -4.268 1.00 1.21 C ATOM 1016 CD2 LEU A 64 5.590 -0.138 -2.254 1.00 1.22 C ATOM 0 H LEU A 64 7.806 -2.109 -5.487 1.00 1.16 H new ATOM 0 HA LEU A 64 8.676 -0.504 -3.200 1.00 1.28 H new ATOM 0 HB2 LEU A 64 6.843 -2.915 -3.563 1.00 1.21 H new ATOM 0 HB3 LEU A 64 7.131 -2.111 -2.033 1.00 1.21 H new ATOM 0 HG LEU A 64 6.631 -0.154 -4.137 1.00 1.09 H new ATOM 0 HD11 LEU A 64 4.231 -0.659 -4.529 1.00 1.21 H new ATOM 0 HD12 LEU A 64 5.291 -1.933 -5.178 1.00 1.21 H new ATOM 0 HD13 LEU A 64 4.421 -2.193 -3.647 1.00 1.21 H new ATOM 0 HD21 LEU A 64 4.879 0.632 -2.553 1.00 1.22 H new ATOM 0 HD22 LEU A 64 5.096 -0.851 -1.595 1.00 1.22 H new ATOM 0 HD23 LEU A 64 6.425 0.324 -1.728 1.00 1.22 H new ATOM 1028 N LEU A 65 9.973 -3.422 -3.862 1.00 1.57 N ATOM 1029 CA LEU A 65 11.139 -4.241 -3.541 1.00 1.86 C ATOM 1030 C LEU A 65 12.406 -3.373 -3.583 1.00 2.12 C ATOM 1031 O LEU A 65 13.201 -3.382 -2.649 1.00 2.50 O ATOM 1032 CB LEU A 65 11.207 -5.434 -4.510 1.00 1.89 C ATOM 1033 CG LEU A 65 12.071 -6.635 -4.082 1.00 2.51 C ATOM 1034 CD1 LEU A 65 13.575 -6.339 -4.078 1.00 3.96 C ATOM 1035 CD2 LEU A 65 11.641 -7.222 -2.733 1.00 2.28 C ATOM 0 H LEU A 65 9.456 -3.731 -4.685 1.00 1.57 H new ATOM 0 HA LEU A 65 11.058 -4.644 -2.532 1.00 1.86 H new ATOM 0 HB2 LEU A 65 10.191 -5.791 -4.679 1.00 1.89 H new ATOM 0 HB3 LEU A 65 11.581 -5.072 -5.467 1.00 1.89 H new ATOM 0 HG LEU A 65 11.893 -7.386 -4.852 1.00 2.51 H new ATOM 0 HD11 LEU A 65 14.120 -7.230 -3.767 1.00 3.96 H new ATOM 0 HD12 LEU A 65 13.892 -6.051 -5.080 1.00 3.96 H new ATOM 0 HD13 LEU A 65 13.784 -5.525 -3.384 1.00 3.96 H new ATOM 0 HD21 LEU A 65 12.284 -8.065 -2.481 1.00 2.28 H new ATOM 0 HD22 LEU A 65 11.726 -6.458 -1.960 1.00 2.28 H new ATOM 0 HD23 LEU A 65 10.607 -7.561 -2.797 1.00 2.28 H new ATOM 1047 N LYS A 66 12.568 -2.581 -4.650 1.00 2.03 N ATOM 1048 CA LYS A 66 13.636 -1.593 -4.758 1.00 2.32 C ATOM 1049 C LYS A 66 13.337 -0.473 -3.762 1.00 1.74 C ATOM 1050 O LYS A 66 14.197 -0.054 -2.993 1.00 2.08 O ATOM 1051 CB LYS A 66 13.691 -1.012 -6.184 1.00 3.24 C ATOM 1052 CG LYS A 66 14.007 -2.063 -7.259 1.00 4.22 C ATOM 1053 CD LYS A 66 13.587 -1.634 -8.679 1.00 5.39 C ATOM 1054 CE LYS A 66 14.442 -0.522 -9.306 1.00 6.19 C ATOM 1055 NZ LYS A 66 14.130 0.823 -8.781 1.00 6.49 N ATOM 0 H LYS A 66 11.955 -2.612 -5.465 1.00 2.03 H new ATOM 0 HA LYS A 66 14.597 -2.059 -4.543 1.00 2.32 H new ATOM 0 HB2 LYS A 66 12.734 -0.543 -6.415 1.00 3.24 H new ATOM 0 HB3 LYS A 66 14.447 -0.228 -6.220 1.00 3.24 H new ATOM 0 HG2 LYS A 66 15.077 -2.269 -7.252 1.00 4.22 H new ATOM 0 HG3 LYS A 66 13.502 -2.995 -7.005 1.00 4.22 H new ATOM 0 HD2 LYS A 66 13.621 -2.507 -9.330 1.00 5.39 H new ATOM 0 HD3 LYS A 66 12.550 -1.300 -8.648 1.00 5.39 H new ATOM 0 HE2 LYS A 66 15.495 -0.739 -9.127 1.00 6.19 H new ATOM 0 HE3 LYS A 66 14.295 -0.526 -10.386 1.00 6.19 H new ATOM 0 HZ1 LYS A 66 14.484 1.544 -9.441 1.00 6.49 H new ATOM 0 HZ2 LYS A 66 13.100 0.925 -8.677 1.00 6.49 H new ATOM 0 HZ3 LYS A 66 14.585 0.948 -7.854 1.00 6.49 H new ATOM 1069 N GLY A 67 12.092 -0.003 -3.796 1.00 1.44 N ATOM 1070 CA GLY A 67 11.536 0.973 -2.880 1.00 1.92 C ATOM 1071 C GLY A 67 11.666 2.383 -3.421 1.00 1.50 C ATOM 1072 O GLY A 67 11.875 3.343 -2.676 1.00 2.31 O ATOM 0 H GLY A 67 11.418 -0.310 -4.497 1.00 1.44 H new ATOM 0 HA2 GLY A 67 10.485 0.747 -2.700 1.00 1.92 H new ATOM 0 HA3 GLY A 67 12.046 0.903 -1.919 1.00 1.92 H new ATOM 1076 N ASP A 68 11.503 2.516 -4.724 1.00 1.33 N ATOM 1077 CA ASP A 68 12.008 3.673 -5.460 1.00 2.00 C ATOM 1078 C ASP A 68 10.995 4.814 -5.514 1.00 2.27 C ATOM 1079 O ASP A 68 10.557 5.270 -6.570 1.00 3.63 O ATOM 1080 CB ASP A 68 12.621 3.285 -6.807 1.00 3.87 C ATOM 1081 CG ASP A 68 11.670 2.622 -7.779 1.00 5.12 C ATOM 1082 OD1 ASP A 68 10.578 2.221 -7.345 1.00 5.45 O ATOM 1083 OD2 ASP A 68 12.123 2.413 -8.929 1.00 6.44 O ATOM 0 H ASP A 68 11.020 1.831 -5.305 1.00 1.33 H new ATOM 0 HA ASP A 68 12.844 4.083 -4.894 1.00 2.00 H new ATOM 0 HB2 ASP A 68 13.027 4.182 -7.275 1.00 3.87 H new ATOM 0 HB3 ASP A 68 13.459 2.612 -6.627 1.00 3.87 H new ATOM 1088 N LEU A 69 10.679 5.320 -4.319 1.00 2.84 N ATOM 1089 CA LEU A 69 10.016 6.602 -4.113 1.00 4.37 C ATOM 1090 C LEU A 69 11.021 7.658 -3.622 1.00 4.76 C ATOM 1091 O LEU A 69 10.642 8.771 -3.261 1.00 5.96 O ATOM 1092 CB LEU A 69 8.854 6.389 -3.140 1.00 6.00 C ATOM 1093 CG LEU A 69 7.865 7.563 -3.035 1.00 7.55 C ATOM 1094 CD1 LEU A 69 7.288 7.987 -4.391 1.00 8.35 C ATOM 1095 CD2 LEU A 69 6.726 7.101 -2.135 1.00 8.44 C ATOM 0 H LEU A 69 10.885 4.833 -3.447 1.00 2.84 H new ATOM 0 HA LEU A 69 9.614 6.985 -5.051 1.00 4.37 H new ATOM 0 HB2 LEU A 69 8.305 5.498 -3.444 1.00 6.00 H new ATOM 0 HB3 LEU A 69 9.262 6.189 -2.149 1.00 6.00 H new ATOM 0 HG LEU A 69 8.393 8.430 -2.638 1.00 7.55 H new ATOM 0 HD11 LEU A 69 6.598 8.819 -4.249 1.00 8.35 H new ATOM 0 HD12 LEU A 69 8.099 8.297 -5.051 1.00 8.35 H new ATOM 0 HD13 LEU A 69 6.757 7.147 -4.839 1.00 8.35 H new ATOM 0 HD21 LEU A 69 5.996 7.904 -2.030 1.00 8.44 H new ATOM 0 HD22 LEU A 69 6.245 6.228 -2.576 1.00 8.44 H new ATOM 0 HD23 LEU A 69 7.121 6.840 -1.153 1.00 8.44 H new ATOM 1107 N SER A 70 12.304 7.296 -3.567 1.00 4.44 N ATOM 1108 CA SER A 70 13.448 8.084 -3.139 1.00 5.57 C ATOM 1109 C SER A 70 14.673 7.257 -3.542 1.00 6.04 C ATOM 1110 O SER A 70 14.518 6.115 -3.971 1.00 6.38 O ATOM 1111 CB SER A 70 13.419 8.311 -1.617 1.00 6.95 C ATOM 1112 OG SER A 70 12.444 9.269 -1.245 1.00 7.75 O ATOM 0 H SER A 70 12.588 6.357 -3.848 1.00 4.44 H new ATOM 0 HA SER A 70 13.455 9.074 -3.596 1.00 5.57 H new ATOM 0 HB2 SER A 70 13.212 7.367 -1.113 1.00 6.95 H new ATOM 0 HB3 SER A 70 14.401 8.643 -1.281 1.00 6.95 H new ATOM 0 HG SER A 70 11.703 9.248 -1.886 1.00 7.75 H new ATOM 1118 N GLN A 71 15.876 7.811 -3.376 1.00 6.78 N ATOM 1119 CA GLN A 71 17.133 7.088 -3.524 1.00 7.97 C ATOM 1120 C GLN A 71 17.284 6.426 -4.901 1.00 8.25 C ATOM 1121 O GLN A 71 17.747 5.292 -5.002 1.00 9.54 O ATOM 1122 CB GLN A 71 17.327 6.106 -2.352 1.00 9.19 C ATOM 1123 CG GLN A 71 16.966 6.708 -0.982 1.00 9.67 C ATOM 1124 CD GLN A 71 17.580 8.090 -0.766 1.00 10.15 C ATOM 1125 OE1 GLN A 71 17.018 9.098 -1.188 1.00 10.13 O ATOM 1126 NE2 GLN A 71 18.752 8.152 -0.142 1.00 11.11 N ATOM 0 H GLN A 71 16.002 8.793 -3.130 1.00 6.78 H new ATOM 0 HA GLN A 71 17.944 7.815 -3.480 1.00 7.97 H new ATOM 0 HB2 GLN A 71 16.714 5.221 -2.524 1.00 9.19 H new ATOM 0 HB3 GLN A 71 18.366 5.776 -2.333 1.00 9.19 H new ATOM 0 HG2 GLN A 71 15.882 6.779 -0.895 1.00 9.67 H new ATOM 0 HG3 GLN A 71 17.306 6.036 -0.194 1.00 9.67 H new ATOM 0 HE21 GLN A 71 19.195 7.298 0.198 1.00 11.11 H new ATOM 0 HE22 GLN A 71 19.209 9.053 -0.003 1.00 11.11 H new ATOM 1135 N THR A 72 16.980 7.195 -5.954 1.00 7.60 N ATOM 1136 CA THR A 72 17.113 6.872 -7.376 1.00 8.35 C ATOM 1137 C THR A 72 15.783 6.365 -7.938 1.00 8.36 C ATOM 1138 O THR A 72 15.262 5.354 -7.479 1.00 8.70 O ATOM 1139 CB THR A 72 18.250 5.885 -7.704 1.00 9.69 C ATOM 1140 OG1 THR A 72 19.407 6.160 -6.943 1.00 10.22 O ATOM 1141 CG2 THR A 72 18.636 5.957 -9.185 1.00 10.39 C ATOM 0 H THR A 72 16.605 8.134 -5.820 1.00 7.60 H new ATOM 0 HA THR A 72 17.389 7.807 -7.863 1.00 8.35 H new ATOM 0 HB THR A 72 17.874 4.891 -7.462 1.00 9.69 H new ATOM 0 HG1 THR A 72 19.384 5.639 -6.113 1.00 10.22 H new ATOM 0 HG21 THR A 72 19.440 5.250 -9.386 1.00 10.39 H new ATOM 0 HG22 THR A 72 17.771 5.707 -9.799 1.00 10.39 H new ATOM 0 HG23 THR A 72 18.972 6.966 -9.425 1.00 10.39 H new ATOM 1149 N ASN A 73 15.283 7.062 -8.964 1.00 8.61 N ATOM 1150 CA ASN A 73 14.012 6.844 -9.645 1.00 9.30 C ATOM 1151 C ASN A 73 12.829 7.349 -8.814 1.00 9.47 C ATOM 1152 O ASN A 73 12.855 7.271 -7.588 1.00 9.79 O ATOM 1153 CB ASN A 73 13.823 5.396 -10.124 1.00 10.27 C ATOM 1154 CG ASN A 73 12.601 5.289 -11.030 1.00 10.89 C ATOM 1155 OD1 ASN A 73 12.368 6.174 -11.849 1.00 11.04 O ATOM 1156 ND2 ASN A 73 11.799 4.239 -10.892 1.00 11.72 N ATOM 0 H ASN A 73 15.796 7.847 -9.365 1.00 8.61 H new ATOM 0 HA ASN A 73 14.043 7.446 -10.553 1.00 9.30 H new ATOM 0 HB2 ASN A 73 14.712 5.065 -10.662 1.00 10.27 H new ATOM 0 HB3 ASN A 73 13.706 4.735 -9.265 1.00 10.27 H new ATOM 0 HD21 ASN A 73 10.966 4.154 -11.474 1.00 11.72 H new ATOM 0 HD22 ASN A 73 12.016 3.518 -10.204 1.00 11.72 H new ATOM 1163 N VAL A 74 11.837 7.917 -9.514 1.00 9.81 N ATOM 1164 CA VAL A 74 10.629 8.575 -9.005 1.00 10.54 C ATOM 1165 C VAL A 74 10.801 9.094 -7.568 1.00 10.49 C ATOM 1166 O VAL A 74 10.136 8.636 -6.638 1.00 10.75 O ATOM 1167 CB VAL A 74 9.396 7.659 -9.187 1.00 11.31 C ATOM 1168 CG1 VAL A 74 8.069 8.367 -8.862 1.00 12.29 C ATOM 1169 CG2 VAL A 74 9.272 7.157 -10.632 1.00 12.00 C ATOM 0 H VAL A 74 11.863 7.928 -10.534 1.00 9.81 H new ATOM 0 HA VAL A 74 10.453 9.469 -9.603 1.00 10.54 H new ATOM 0 HB VAL A 74 9.562 6.836 -8.492 1.00 11.31 H new ATOM 0 HG11 VAL A 74 7.241 7.673 -9.008 1.00 12.29 H new ATOM 0 HG12 VAL A 74 8.081 8.704 -7.826 1.00 12.29 H new ATOM 0 HG13 VAL A 74 7.944 9.226 -9.522 1.00 12.29 H new ATOM 0 HG21 VAL A 74 8.394 6.517 -10.721 1.00 12.00 H new ATOM 0 HG22 VAL A 74 9.170 8.008 -11.305 1.00 12.00 H new ATOM 0 HG23 VAL A 74 10.164 6.589 -10.898 1.00 12.00 H new ATOM 1179 N ALA A 75 11.689 10.074 -7.371 1.00 10.66 N ATOM 1180 CA ALA A 75 11.862 10.733 -6.082 1.00 11.26 C ATOM 1181 C ALA A 75 10.731 11.748 -5.884 1.00 11.83 C ATOM 1182 O ALA A 75 10.981 12.948 -5.791 1.00 12.34 O ATOM 1183 CB ALA A 75 13.249 11.381 -6.022 1.00 11.86 C ATOM 0 H ALA A 75 12.305 10.429 -8.102 1.00 10.66 H new ATOM 0 HA ALA A 75 11.807 10.012 -5.267 1.00 11.26 H new ATOM 0 HB1 ALA A 75 13.379 11.874 -5.059 1.00 11.86 H new ATOM 0 HB2 ALA A 75 14.014 10.614 -6.144 1.00 11.86 H new ATOM 0 HB3 ALA A 75 13.342 12.116 -6.821 1.00 11.86 H new ATOM 1189 N TYR A 76 9.491 11.248 -5.854 1.00 12.12 N ATOM 1190 CA TYR A 76 8.328 11.972 -6.349 1.00 12.94 C ATOM 1191 C TYR A 76 8.545 12.232 -7.845 1.00 13.42 C ATOM 1192 O TYR A 76 8.098 13.261 -8.342 1.00 14.03 O ATOM 1193 CB TYR A 76 8.047 13.244 -5.523 1.00 13.49 C ATOM 1194 CG TYR A 76 6.634 13.816 -5.554 1.00 14.28 C ATOM 1195 CD1 TYR A 76 5.690 13.435 -6.531 1.00 14.73 C ATOM 1196 CD2 TYR A 76 6.281 14.791 -4.602 1.00 14.94 C ATOM 1197 CE1 TYR A 76 4.429 14.052 -6.577 1.00 15.78 C ATOM 1198 CE2 TYR A 76 4.999 15.369 -4.617 1.00 15.93 C ATOM 1199 CZ TYR A 76 4.094 15.039 -5.638 1.00 16.33 C ATOM 1200 OH TYR A 76 2.856 15.608 -5.664 1.00 17.55 O ATOM 1201 OXT TYR A 76 9.081 11.342 -8.502 1.00 13.46 O ATOM 0 H TYR A 76 9.271 10.324 -5.482 1.00 12.12 H new ATOM 0 HA TYR A 76 7.422 11.378 -6.229 1.00 12.94 H new ATOM 0 HB2 TYR A 76 8.299 13.031 -4.484 1.00 13.49 H new ATOM 0 HB3 TYR A 76 8.730 14.022 -5.864 1.00 13.49 H new ATOM 0 HD1 TYR A 76 5.938 12.665 -7.247 1.00 14.73 H new ATOM 0 HD2 TYR A 76 6.999 15.097 -3.856 1.00 14.94 H new ATOM 0 HE1 TYR A 76 3.716 13.766 -7.336 1.00 15.78 H new ATOM 0 HE2 TYR A 76 4.711 16.066 -3.844 1.00 15.93 H new ATOM 0 HH TYR A 76 2.786 16.272 -4.946 1.00 17.55 H new TER 1211 TYR A 76