USER MOD reduce.3.24.130724 H: found=0, std=0, add=845, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 847 hydrogens (9 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 69 SER OG : rot 116:sc= 1.17 USER MOD Set 1.2: A 71 THR OG1 : rot 180:sc= 1.04 USER MOD Set 2.1: A 37 SER OG : rot 180:sc=-0.00557 USER MOD Set 2.2: A 38 THR OG1 : rot 180:sc=-0.00412 USER MOD Set 3.1: A 13 THR OG1 : rot 172:sc= -0.488 USER MOD Set 3.2: A 16 GLN : amide:sc= -0.358 K(o=-0.85,f=-3.3) USER MOD Single : A 1 MET CE :methyl 176:sc= 0 (180deg=-0.0038) USER MOD Single : A 1 MET N :NH3+ 145:sc= 0.197 (180deg=0.0013) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 166:sc= 1.9 (180deg=1.69) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -174:sc= 1.1 (180deg=1.03) USER MOD Single : A 18 ASN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 147:sc= -0.422 (180deg=-1.4) USER MOD Single : A 35 CYS SG : rot -60:sc= -1.5 USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 1.24 (180deg=1.15) USER MOD Single : A 43 LYS NZ :NH3+ 169:sc= 1.29 (180deg=1.16) USER MOD Single : A 45 MET CE :methyl 167:sc= -0.612 (180deg=-0.768) USER MOD Single : A 47 MET CE :methyl 177:sc= 0 (180deg=-0.011) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -3.48! C(o=-3.5!,f=-6.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.821 USER MOD Single : A 58 GLN : amide:sc= 0.589 K(o=0.59,f=0) USER MOD Single : A 60 MET CE :methyl 156:sc= -0.559 (180deg=-1.69) USER MOD Single : A 80 MET CE :methyl 163:sc= -0.807 (180deg=-1.62!) USER MOD Single : A 81 MET CE :methyl -147:sc= -0.225 (180deg=-2.07) USER MOD Single : A 84 CYS SG : rot 120:sc= -1.68! USER MOD Single : A 85 MET CE :methyl 166:sc= -0.186 (180deg=-0.538) USER MOD Single : A 86 LYS NZ :NH3+ -149:sc= 0.649 (180deg=-0.437) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SXK OAB : rot -140:sc= -0.466 USER MOD Single : B 149 SER OG : rot -111:sc= 1.01 USER MOD Single : B 153 MET CE :methyl -166:sc= -0.105 (180deg=-0.212) USER MOD Single : B 154 MET CE :methyl 175:sc= 0 (180deg=-0.055) USER MOD Single : B 155 GLN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : B 163 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 75.837 11.958 4.336 1.00 0.00 N ATOM 2 CA MET A 1 75.844 10.694 5.138 1.00 0.00 C ATOM 3 C MET A 1 75.097 10.910 6.460 1.00 0.00 C ATOM 4 O MET A 1 75.303 11.898 7.140 1.00 0.00 O ATOM 5 CB MET A 1 77.323 10.385 5.405 1.00 0.00 C ATOM 6 CG MET A 1 77.950 9.731 4.169 1.00 0.00 C ATOM 7 SD MET A 1 78.988 10.939 3.309 1.00 0.00 S ATOM 8 CE MET A 1 78.288 10.713 1.656 1.00 0.00 C ATOM 0 H1 MET A 1 76.733 12.044 3.815 1.00 0.00 H new ATOM 0 H2 MET A 1 75.045 11.937 3.662 1.00 0.00 H new ATOM 0 H3 MET A 1 75.728 12.773 4.973 1.00 0.00 H new ATOM 0 HA MET A 1 75.350 9.875 4.615 1.00 0.00 H new ATOM 0 HB2 MET A 1 77.857 11.303 5.652 1.00 0.00 H new ATOM 0 HB3 MET A 1 77.416 9.721 6.265 1.00 0.00 H new ATOM 0 HG2 MET A 1 78.546 8.868 4.464 1.00 0.00 H new ATOM 0 HG3 MET A 1 77.169 9.366 3.502 1.00 0.00 H new ATOM 0 HE1 MET A 1 78.743 11.425 0.968 1.00 0.00 H new ATOM 0 HE2 MET A 1 78.487 9.698 1.312 1.00 0.00 H new ATOM 0 HE3 MET A 1 77.211 10.880 1.691 1.00 0.00 H new ATOM 20 N ASP A 2 74.230 10.000 6.827 1.00 0.00 N ATOM 21 CA ASP A 2 73.470 10.161 8.103 1.00 0.00 C ATOM 22 C ASP A 2 73.556 8.887 8.954 1.00 0.00 C ATOM 23 O ASP A 2 73.529 7.780 8.446 1.00 0.00 O ATOM 24 CB ASP A 2 72.024 10.427 7.672 1.00 0.00 C ATOM 25 CG ASP A 2 71.158 10.689 8.907 1.00 0.00 C ATOM 26 OD1 ASP A 2 70.708 9.726 9.506 1.00 0.00 O ATOM 27 OD2 ASP A 2 70.957 11.846 9.231 1.00 0.00 O ATOM 0 H ASP A 2 74.016 9.154 6.299 1.00 0.00 H new ATOM 0 HA ASP A 2 73.870 10.968 8.716 1.00 0.00 H new ATOM 0 HB2 ASP A 2 71.986 11.285 7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 2 71.636 9.572 7.118 1.00 0.00 H new ATOM 32 N ASP A 3 73.645 9.046 10.251 1.00 0.00 N ATOM 33 CA ASP A 3 73.719 7.862 11.161 1.00 0.00 C ATOM 34 C ASP A 3 72.563 7.884 12.179 1.00 0.00 C ATOM 35 O ASP A 3 72.506 7.062 13.074 1.00 0.00 O ATOM 36 CB ASP A 3 75.068 7.994 11.872 1.00 0.00 C ATOM 37 CG ASP A 3 76.104 7.111 11.174 1.00 0.00 C ATOM 38 OD1 ASP A 3 75.898 5.908 11.128 1.00 0.00 O ATOM 39 OD2 ASP A 3 77.084 7.652 10.692 1.00 0.00 O ATOM 0 H ASP A 3 73.670 9.951 10.721 1.00 0.00 H new ATOM 0 HA ASP A 3 73.633 6.922 10.617 1.00 0.00 H new ATOM 0 HB2 ASP A 3 75.396 9.034 11.862 1.00 0.00 H new ATOM 0 HB3 ASP A 3 74.970 7.700 12.917 1.00 0.00 H new ATOM 44 N ILE A 4 71.641 8.809 12.046 1.00 0.00 N ATOM 45 CA ILE A 4 70.492 8.876 13.002 1.00 0.00 C ATOM 46 C ILE A 4 69.325 8.027 12.481 1.00 0.00 C ATOM 47 O ILE A 4 68.673 7.333 13.238 1.00 0.00 O ATOM 48 CB ILE A 4 70.106 10.359 13.069 1.00 0.00 C ATOM 49 CG1 ILE A 4 71.269 11.167 13.660 1.00 0.00 C ATOM 50 CG2 ILE A 4 68.870 10.532 13.957 1.00 0.00 C ATOM 51 CD1 ILE A 4 71.807 12.138 12.605 1.00 0.00 C ATOM 0 H ILE A 4 71.636 9.521 11.315 1.00 0.00 H new ATOM 0 HA ILE A 4 70.749 8.487 13.987 1.00 0.00 H new ATOM 0 HB ILE A 4 69.885 10.716 12.063 1.00 0.00 H new ATOM 0 HG12 ILE A 4 70.933 11.718 14.539 1.00 0.00 H new ATOM 0 HG13 ILE A 4 72.062 10.495 13.989 1.00 0.00 H new ATOM 0 HG21 ILE A 4 68.599 11.587 14.002 1.00 0.00 H new ATOM 0 HG22 ILE A 4 68.040 9.962 13.540 1.00 0.00 H new ATOM 0 HG23 ILE A 4 69.090 10.171 14.962 1.00 0.00 H new ATOM 0 HD11 ILE A 4 72.633 12.711 13.026 1.00 0.00 H new ATOM 0 HD12 ILE A 4 72.159 11.577 11.740 1.00 0.00 H new ATOM 0 HD13 ILE A 4 71.013 12.818 12.298 1.00 0.00 H new ATOM 63 N TYR A 5 69.062 8.067 11.193 1.00 0.00 N ATOM 64 CA TYR A 5 67.941 7.246 10.628 1.00 0.00 C ATOM 65 C TYR A 5 68.162 5.759 10.949 1.00 0.00 C ATOM 66 O TYR A 5 67.219 5.008 11.109 1.00 0.00 O ATOM 67 CB TYR A 5 67.975 7.486 9.114 1.00 0.00 C ATOM 68 CG TYR A 5 67.034 8.614 8.761 1.00 0.00 C ATOM 69 CD1 TYR A 5 65.650 8.400 8.771 1.00 0.00 C ATOM 70 CD2 TYR A 5 67.545 9.874 8.425 1.00 0.00 C ATOM 71 CE1 TYR A 5 64.778 9.445 8.443 1.00 0.00 C ATOM 72 CE2 TYR A 5 66.672 10.918 8.097 1.00 0.00 C ATOM 73 CZ TYR A 5 65.289 10.704 8.106 1.00 0.00 C ATOM 74 OH TYR A 5 64.429 11.733 7.783 1.00 0.00 O ATOM 0 H TYR A 5 69.573 8.630 10.513 1.00 0.00 H new ATOM 0 HA TYR A 5 66.976 7.524 11.053 1.00 0.00 H new ATOM 0 HB2 TYR A 5 68.989 7.731 8.797 1.00 0.00 H new ATOM 0 HB3 TYR A 5 67.686 6.578 8.585 1.00 0.00 H new ATOM 0 HD1 TYR A 5 65.255 7.429 9.032 1.00 0.00 H new ATOM 0 HD2 TYR A 5 68.612 10.040 8.419 1.00 0.00 H new ATOM 0 HE1 TYR A 5 63.711 9.280 8.450 1.00 0.00 H new ATOM 0 HE2 TYR A 5 67.066 11.889 7.837 1.00 0.00 H new ATOM 0 HH TYR A 5 64.947 12.539 7.576 1.00 0.00 H new ATOM 84 N LYS A 6 69.402 5.335 11.061 1.00 0.00 N ATOM 85 CA LYS A 6 69.688 3.902 11.395 1.00 0.00 C ATOM 86 C LYS A 6 69.088 3.560 12.767 1.00 0.00 C ATOM 87 O LYS A 6 68.474 2.527 12.942 1.00 0.00 O ATOM 88 CB LYS A 6 71.218 3.791 11.428 1.00 0.00 C ATOM 89 CG LYS A 6 71.762 3.700 9.997 1.00 0.00 C ATOM 90 CD LYS A 6 72.940 4.666 9.834 1.00 0.00 C ATOM 91 CE LYS A 6 73.720 4.319 8.563 1.00 0.00 C ATOM 92 NZ LYS A 6 74.880 5.258 8.551 1.00 0.00 N ATOM 0 H LYS A 6 70.227 5.921 10.935 1.00 0.00 H new ATOM 0 HA LYS A 6 69.254 3.211 10.672 1.00 0.00 H new ATOM 0 HB2 LYS A 6 71.644 4.657 11.935 1.00 0.00 H new ATOM 0 HB3 LYS A 6 71.516 2.910 11.997 1.00 0.00 H new ATOM 0 HG2 LYS A 6 72.082 2.680 9.783 1.00 0.00 H new ATOM 0 HG3 LYS A 6 70.976 3.944 9.282 1.00 0.00 H new ATOM 0 HD2 LYS A 6 72.576 5.692 9.780 1.00 0.00 H new ATOM 0 HD3 LYS A 6 73.596 4.605 10.703 1.00 0.00 H new ATOM 0 HE2 LYS A 6 74.053 3.281 8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 6 73.102 4.445 7.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 75.581 4.935 7.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 74.552 6.211 8.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 75.316 5.283 9.495 1.00 0.00 H new ATOM 106 N ALA A 7 69.246 4.434 13.736 1.00 0.00 N ATOM 107 CA ALA A 7 68.669 4.174 15.095 1.00 0.00 C ATOM 108 C ALA A 7 67.157 3.905 14.989 1.00 0.00 C ATOM 109 O ALA A 7 66.604 3.131 15.748 1.00 0.00 O ATOM 110 CB ALA A 7 68.936 5.455 15.894 1.00 0.00 C ATOM 0 H ALA A 7 69.750 5.316 13.643 1.00 0.00 H new ATOM 0 HA ALA A 7 69.113 3.300 15.571 1.00 0.00 H new ATOM 0 HB1 ALA A 7 68.541 5.343 16.904 1.00 0.00 H new ATOM 0 HB2 ALA A 7 70.010 5.637 15.942 1.00 0.00 H new ATOM 0 HB3 ALA A 7 68.447 6.297 15.405 1.00 0.00 H new ATOM 116 N ALA A 8 66.492 4.531 14.044 1.00 0.00 N ATOM 117 CA ALA A 8 65.020 4.308 13.872 1.00 0.00 C ATOM 118 C ALA A 8 64.753 2.906 13.304 1.00 0.00 C ATOM 119 O ALA A 8 63.795 2.255 13.671 1.00 0.00 O ATOM 120 CB ALA A 8 64.567 5.379 12.873 1.00 0.00 C ATOM 0 H ALA A 8 66.907 5.188 13.383 1.00 0.00 H new ATOM 0 HA ALA A 8 64.484 4.376 14.819 1.00 0.00 H new ATOM 0 HB1 ALA A 8 63.496 5.281 12.695 1.00 0.00 H new ATOM 0 HB2 ALA A 8 64.778 6.368 13.279 1.00 0.00 H new ATOM 0 HB3 ALA A 8 65.104 5.251 11.933 1.00 0.00 H new ATOM 126 N VAL A 9 65.592 2.445 12.408 1.00 0.00 N ATOM 127 CA VAL A 9 65.392 1.088 11.803 1.00 0.00 C ATOM 128 C VAL A 9 65.836 -0.023 12.771 1.00 0.00 C ATOM 129 O VAL A 9 65.404 -1.155 12.663 1.00 0.00 O ATOM 130 CB VAL A 9 66.254 1.100 10.527 1.00 0.00 C ATOM 131 CG1 VAL A 9 67.640 0.506 10.797 1.00 0.00 C ATOM 132 CG2 VAL A 9 65.564 0.278 9.437 1.00 0.00 C ATOM 0 H VAL A 9 66.410 2.951 12.068 1.00 0.00 H new ATOM 0 HA VAL A 9 64.344 0.884 11.585 1.00 0.00 H new ATOM 0 HB VAL A 9 66.372 2.134 10.203 1.00 0.00 H new ATOM 0 HG11 VAL A 9 68.229 0.526 9.880 1.00 0.00 H new ATOM 0 HG12 VAL A 9 68.144 1.093 11.565 1.00 0.00 H new ATOM 0 HG13 VAL A 9 67.534 -0.524 11.138 1.00 0.00 H new ATOM 0 HG21 VAL A 9 66.174 0.286 8.534 1.00 0.00 H new ATOM 0 HG22 VAL A 9 65.438 -0.749 9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 9 64.587 0.710 9.219 1.00 0.00 H new ATOM 142 N GLU A 10 66.703 0.287 13.702 1.00 0.00 N ATOM 143 CA GLU A 10 67.185 -0.754 14.661 1.00 0.00 C ATOM 144 C GLU A 10 66.343 -0.782 15.950 1.00 0.00 C ATOM 145 O GLU A 10 66.271 -1.798 16.614 1.00 0.00 O ATOM 146 CB GLU A 10 68.629 -0.354 14.979 1.00 0.00 C ATOM 147 CG GLU A 10 69.535 -0.708 13.796 1.00 0.00 C ATOM 148 CD GLU A 10 70.901 -0.039 13.974 1.00 0.00 C ATOM 149 OE1 GLU A 10 71.708 -0.571 14.719 1.00 0.00 O ATOM 150 OE2 GLU A 10 71.118 0.990 13.356 1.00 0.00 O ATOM 0 H GLU A 10 67.098 1.217 13.840 1.00 0.00 H new ATOM 0 HA GLU A 10 67.107 -1.753 14.232 1.00 0.00 H new ATOM 0 HB2 GLU A 10 68.684 0.715 15.184 1.00 0.00 H new ATOM 0 HB3 GLU A 10 68.970 -0.869 15.877 1.00 0.00 H new ATOM 0 HG2 GLU A 10 69.655 -1.789 13.728 1.00 0.00 H new ATOM 0 HG3 GLU A 10 69.077 -0.379 12.863 1.00 0.00 H new ATOM 157 N GLN A 11 65.724 0.314 16.327 1.00 0.00 N ATOM 158 CA GLN A 11 64.921 0.314 17.593 1.00 0.00 C ATOM 159 C GLN A 11 63.434 0.636 17.341 1.00 0.00 C ATOM 160 O GLN A 11 62.915 1.627 17.821 1.00 0.00 O ATOM 161 CB GLN A 11 65.574 1.391 18.468 1.00 0.00 C ATOM 162 CG GLN A 11 66.488 0.727 19.504 1.00 0.00 C ATOM 163 CD GLN A 11 67.611 1.691 19.895 1.00 0.00 C ATOM 164 OE1 GLN A 11 67.448 2.500 20.784 1.00 0.00 O ATOM 165 NE2 GLN A 11 68.752 1.639 19.269 1.00 0.00 N ATOM 0 H GLN A 11 65.739 1.199 15.819 1.00 0.00 H new ATOM 0 HA GLN A 11 64.924 -0.669 18.065 1.00 0.00 H new ATOM 0 HB2 GLN A 11 66.149 2.078 17.848 1.00 0.00 H new ATOM 0 HB3 GLN A 11 64.807 1.981 18.970 1.00 0.00 H new ATOM 0 HG2 GLN A 11 65.912 0.448 20.386 1.00 0.00 H new ATOM 0 HG3 GLN A 11 66.910 -0.191 19.095 1.00 0.00 H new ATOM 0 HE21 GLN A 11 68.893 0.960 18.521 1.00 0.00 H new ATOM 0 HE22 GLN A 11 69.505 2.277 19.527 1.00 0.00 H new ATOM 174 N LEU A 12 62.736 -0.208 16.618 1.00 0.00 N ATOM 175 CA LEU A 12 61.276 0.041 16.373 1.00 0.00 C ATOM 176 C LEU A 12 60.443 -0.629 17.473 1.00 0.00 C ATOM 177 O LEU A 12 60.924 -1.496 18.182 1.00 0.00 O ATOM 178 CB LEU A 12 60.960 -0.616 15.028 1.00 0.00 C ATOM 179 CG LEU A 12 61.451 0.268 13.889 1.00 0.00 C ATOM 180 CD1 LEU A 12 62.554 -0.467 13.133 1.00 0.00 C ATOM 181 CD2 LEU A 12 60.287 0.569 12.939 1.00 0.00 C ATOM 0 H LEU A 12 63.110 -1.054 16.189 1.00 0.00 H new ATOM 0 HA LEU A 12 61.046 1.106 16.372 1.00 0.00 H new ATOM 0 HB2 LEU A 12 61.436 -1.595 14.971 1.00 0.00 H new ATOM 0 HB3 LEU A 12 59.886 -0.778 14.936 1.00 0.00 H new ATOM 0 HG LEU A 12 61.840 1.205 14.287 1.00 0.00 H new ATOM 0 HD11 LEU A 12 62.913 0.158 12.315 1.00 0.00 H new ATOM 0 HD12 LEU A 12 63.378 -0.684 13.812 1.00 0.00 H new ATOM 0 HD13 LEU A 12 62.160 -1.400 12.731 1.00 0.00 H new ATOM 0 HD21 LEU A 12 60.637 1.202 12.123 1.00 0.00 H new ATOM 0 HD22 LEU A 12 59.898 -0.365 12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 12 59.496 1.085 13.484 1.00 0.00 H new ATOM 193 N THR A 13 59.193 -0.264 17.608 1.00 0.00 N ATOM 194 CA THR A 13 58.339 -0.918 18.652 1.00 0.00 C ATOM 195 C THR A 13 57.865 -2.275 18.141 1.00 0.00 C ATOM 196 O THR A 13 57.918 -2.551 16.956 1.00 0.00 O ATOM 197 CB THR A 13 57.147 0.019 18.881 1.00 0.00 C ATOM 198 OG1 THR A 13 56.520 0.305 17.640 1.00 0.00 O ATOM 199 CG2 THR A 13 57.627 1.321 19.525 1.00 0.00 C ATOM 0 H THR A 13 58.728 0.451 17.048 1.00 0.00 H new ATOM 0 HA THR A 13 58.885 -1.084 19.581 1.00 0.00 H new ATOM 0 HB THR A 13 56.432 -0.467 19.545 1.00 0.00 H new ATOM 0 HG1 THR A 13 55.684 0.791 17.800 1.00 0.00 H new ATOM 0 HG21 THR A 13 56.776 1.983 19.685 1.00 0.00 H new ATOM 0 HG22 THR A 13 58.101 1.101 20.482 1.00 0.00 H new ATOM 0 HG23 THR A 13 58.347 1.808 18.867 1.00 0.00 H new ATOM 207 N GLU A 14 57.414 -3.130 19.019 1.00 0.00 N ATOM 208 CA GLU A 14 56.951 -4.478 18.575 1.00 0.00 C ATOM 209 C GLU A 14 55.858 -4.351 17.501 1.00 0.00 C ATOM 210 O GLU A 14 55.768 -5.166 16.605 1.00 0.00 O ATOM 211 CB GLU A 14 56.412 -5.163 19.835 1.00 0.00 C ATOM 212 CG GLU A 14 57.434 -6.194 20.332 1.00 0.00 C ATOM 213 CD GLU A 14 58.801 -5.526 20.521 1.00 0.00 C ATOM 214 OE1 GLU A 14 58.959 -4.806 21.492 1.00 0.00 O ATOM 215 OE2 GLU A 14 59.665 -5.742 19.685 1.00 0.00 O ATOM 0 H GLU A 14 57.346 -2.955 20.022 1.00 0.00 H new ATOM 0 HA GLU A 14 57.758 -5.055 18.123 1.00 0.00 H new ATOM 0 HB2 GLU A 14 56.220 -4.422 20.611 1.00 0.00 H new ATOM 0 HB3 GLU A 14 55.462 -5.652 19.618 1.00 0.00 H new ATOM 0 HG2 GLU A 14 57.098 -6.627 21.274 1.00 0.00 H new ATOM 0 HG3 GLU A 14 57.515 -7.012 19.616 1.00 0.00 H new ATOM 222 N GLU A 15 55.039 -3.331 17.578 1.00 0.00 N ATOM 223 CA GLU A 15 53.963 -3.146 16.552 1.00 0.00 C ATOM 224 C GLU A 15 54.578 -2.662 15.229 1.00 0.00 C ATOM 225 O GLU A 15 54.397 -3.272 14.196 1.00 0.00 O ATOM 226 CB GLU A 15 53.019 -2.076 17.122 1.00 0.00 C ATOM 227 CG GLU A 15 52.601 -2.443 18.552 1.00 0.00 C ATOM 228 CD GLU A 15 53.246 -1.468 19.542 1.00 0.00 C ATOM 229 OE1 GLU A 15 54.421 -1.636 19.830 1.00 0.00 O ATOM 230 OE2 GLU A 15 52.555 -0.571 19.994 1.00 0.00 O ATOM 0 H GLU A 15 55.068 -2.618 18.307 1.00 0.00 H new ATOM 0 HA GLU A 15 53.435 -4.077 16.347 1.00 0.00 H new ATOM 0 HB2 GLU A 15 53.514 -1.105 17.118 1.00 0.00 H new ATOM 0 HB3 GLU A 15 52.136 -1.986 16.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 51.516 -2.407 18.645 1.00 0.00 H new ATOM 0 HG3 GLU A 15 52.906 -3.464 18.780 1.00 0.00 H new ATOM 237 N GLN A 16 55.304 -1.568 15.260 1.00 0.00 N ATOM 238 CA GLN A 16 55.935 -1.030 14.007 1.00 0.00 C ATOM 239 C GLN A 16 56.839 -2.080 13.357 1.00 0.00 C ATOM 240 O GLN A 16 56.708 -2.402 12.191 1.00 0.00 O ATOM 241 CB GLN A 16 56.762 0.179 14.466 1.00 0.00 C ATOM 242 CG GLN A 16 55.919 1.460 14.392 1.00 0.00 C ATOM 243 CD GLN A 16 54.550 1.234 15.044 1.00 0.00 C ATOM 244 OE1 GLN A 16 54.419 1.291 16.249 1.00 0.00 O ATOM 245 NE2 GLN A 16 53.517 0.974 14.292 1.00 0.00 N ATOM 0 H GLN A 16 55.488 -1.022 16.101 1.00 0.00 H new ATOM 0 HA GLN A 16 55.188 -0.760 13.261 1.00 0.00 H new ATOM 0 HB2 GLN A 16 57.111 0.023 15.487 1.00 0.00 H new ATOM 0 HB3 GLN A 16 57.648 0.282 13.839 1.00 0.00 H new ATOM 0 HG2 GLN A 16 56.439 2.275 14.895 1.00 0.00 H new ATOM 0 HG3 GLN A 16 55.789 1.759 13.352 1.00 0.00 H new ATOM 0 HE21 GLN A 16 53.623 0.925 13.279 1.00 0.00 H new ATOM 0 HE22 GLN A 16 52.603 0.819 14.717 1.00 0.00 H new ATOM 254 N LYS A 17 57.749 -2.604 14.119 1.00 0.00 N ATOM 255 CA LYS A 17 58.699 -3.643 13.603 1.00 0.00 C ATOM 256 C LYS A 17 57.937 -4.859 13.050 1.00 0.00 C ATOM 257 O LYS A 17 58.275 -5.386 12.006 1.00 0.00 O ATOM 258 CB LYS A 17 59.529 -4.032 14.829 1.00 0.00 C ATOM 259 CG LYS A 17 60.917 -4.516 14.402 1.00 0.00 C ATOM 260 CD LYS A 17 61.933 -4.187 15.504 1.00 0.00 C ATOM 261 CE LYS A 17 61.722 -5.115 16.709 1.00 0.00 C ATOM 262 NZ LYS A 17 61.034 -4.278 17.737 1.00 0.00 N ATOM 0 H LYS A 17 57.884 -2.357 15.099 1.00 0.00 H new ATOM 0 HA LYS A 17 59.313 -3.275 12.781 1.00 0.00 H new ATOM 0 HB2 LYS A 17 59.625 -3.176 15.497 1.00 0.00 H new ATOM 0 HB3 LYS A 17 59.019 -4.817 15.387 1.00 0.00 H new ATOM 0 HG2 LYS A 17 60.899 -5.590 14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 17 61.210 -4.037 13.468 1.00 0.00 H new ATOM 0 HD2 LYS A 17 62.947 -4.301 15.121 1.00 0.00 H new ATOM 0 HD3 LYS A 17 61.823 -3.147 15.812 1.00 0.00 H new ATOM 0 HE2 LYS A 17 61.117 -5.980 16.438 1.00 0.00 H new ATOM 0 HE3 LYS A 17 62.672 -5.495 17.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 60.949 -4.816 18.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 61.587 -3.414 17.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 60.086 -4.020 17.397 1.00 0.00 H new ATOM 276 N ASN A 18 56.913 -5.305 13.738 1.00 0.00 N ATOM 277 CA ASN A 18 56.133 -6.486 13.249 1.00 0.00 C ATOM 278 C ASN A 18 55.313 -6.116 12.003 1.00 0.00 C ATOM 279 O ASN A 18 55.245 -6.874 11.055 1.00 0.00 O ATOM 280 CB ASN A 18 55.211 -6.868 14.411 1.00 0.00 C ATOM 281 CG ASN A 18 54.369 -8.084 14.021 1.00 0.00 C ATOM 282 OD1 ASN A 18 54.831 -9.203 14.091 1.00 0.00 O ATOM 283 ND2 ASN A 18 53.144 -7.910 13.609 1.00 0.00 N ATOM 0 H ASN A 18 56.584 -4.903 14.616 1.00 0.00 H new ATOM 0 HA ASN A 18 56.783 -7.311 12.959 1.00 0.00 H new ATOM 0 HB2 ASN A 18 55.802 -7.092 15.299 1.00 0.00 H new ATOM 0 HB3 ASN A 18 54.562 -6.030 14.664 1.00 0.00 H new ATOM 0 HD21 ASN A 18 52.575 -8.715 13.346 1.00 0.00 H new ATOM 0 HD22 ASN A 18 52.755 -6.969 13.550 1.00 0.00 H new ATOM 290 N GLU A 19 54.689 -4.963 12.001 1.00 0.00 N ATOM 291 CA GLU A 19 53.867 -4.550 10.817 1.00 0.00 C ATOM 292 C GLU A 19 54.721 -4.550 9.539 1.00 0.00 C ATOM 293 O GLU A 19 54.321 -5.089 8.526 1.00 0.00 O ATOM 294 CB GLU A 19 53.368 -3.132 11.136 1.00 0.00 C ATOM 295 CG GLU A 19 52.191 -3.156 12.141 1.00 0.00 C ATOM 296 CD GLU A 19 51.759 -4.592 12.477 1.00 0.00 C ATOM 297 OE1 GLU A 19 50.975 -5.145 11.723 1.00 0.00 O ATOM 298 OE2 GLU A 19 52.211 -5.107 13.487 1.00 0.00 O ATOM 0 H GLU A 19 54.712 -4.290 12.767 1.00 0.00 H new ATOM 0 HA GLU A 19 53.040 -5.237 10.641 1.00 0.00 H new ATOM 0 HB2 GLU A 19 54.187 -2.541 11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.052 -2.641 10.216 1.00 0.00 H new ATOM 0 HG2 GLU A 19 52.483 -2.641 13.056 1.00 0.00 H new ATOM 0 HG3 GLU A 19 51.345 -2.610 11.724 1.00 0.00 H new ATOM 305 N PHE A 20 55.896 -3.964 9.576 1.00 0.00 N ATOM 306 CA PHE A 20 56.766 -3.955 8.353 1.00 0.00 C ATOM 307 C PHE A 20 57.185 -5.390 8.000 1.00 0.00 C ATOM 308 O PHE A 20 57.250 -5.757 6.842 1.00 0.00 O ATOM 309 CB PHE A 20 57.993 -3.109 8.716 1.00 0.00 C ATOM 310 CG PHE A 20 57.576 -1.680 8.998 1.00 0.00 C ATOM 311 CD1 PHE A 20 56.629 -1.041 8.184 1.00 0.00 C ATOM 312 CD2 PHE A 20 58.141 -0.996 10.082 1.00 0.00 C ATOM 313 CE1 PHE A 20 56.250 0.279 8.458 1.00 0.00 C ATOM 314 CE2 PHE A 20 57.761 0.324 10.353 1.00 0.00 C ATOM 315 CZ PHE A 20 56.817 0.961 9.542 1.00 0.00 C ATOM 0 H PHE A 20 56.288 -3.495 10.393 1.00 0.00 H new ATOM 0 HA PHE A 20 56.246 -3.545 7.487 1.00 0.00 H new ATOM 0 HB2 PHE A 20 58.489 -3.530 9.590 1.00 0.00 H new ATOM 0 HB3 PHE A 20 58.714 -3.131 7.899 1.00 0.00 H new ATOM 0 HD1 PHE A 20 56.193 -1.566 7.347 1.00 0.00 H new ATOM 0 HD2 PHE A 20 58.870 -1.487 10.709 1.00 0.00 H new ATOM 0 HE1 PHE A 20 55.520 0.772 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 20 58.197 0.850 11.189 1.00 0.00 H new ATOM 0 HZ PHE A 20 56.525 1.979 9.751 1.00 0.00 H new ATOM 325 N LYS A 21 57.453 -6.205 8.995 1.00 0.00 N ATOM 326 CA LYS A 21 57.852 -7.626 8.734 1.00 0.00 C ATOM 327 C LYS A 21 56.704 -8.372 8.032 1.00 0.00 C ATOM 328 O LYS A 21 56.923 -9.131 7.108 1.00 0.00 O ATOM 329 CB LYS A 21 58.135 -8.215 10.127 1.00 0.00 C ATOM 330 CG LYS A 21 58.034 -9.748 10.099 1.00 0.00 C ATOM 331 CD LYS A 21 59.178 -10.332 9.262 1.00 0.00 C ATOM 332 CE LYS A 21 58.923 -11.824 9.009 1.00 0.00 C ATOM 333 NZ LYS A 21 57.752 -11.876 8.084 1.00 0.00 N ATOM 0 H LYS A 21 57.412 -5.945 9.980 1.00 0.00 H new ATOM 0 HA LYS A 21 58.720 -7.710 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 21 59.130 -7.917 10.458 1.00 0.00 H new ATOM 0 HB3 LYS A 21 57.425 -7.812 10.849 1.00 0.00 H new ATOM 0 HG2 LYS A 21 58.077 -10.142 11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 21 57.074 -10.050 9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 21 59.256 -9.800 8.314 1.00 0.00 H new ATOM 0 HD3 LYS A 21 60.127 -10.198 9.781 1.00 0.00 H new ATOM 0 HE2 LYS A 21 59.796 -12.302 8.564 1.00 0.00 H new ATOM 0 HE3 LYS A 21 58.712 -12.350 9.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 57.847 -12.695 7.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 56.876 -11.966 8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 57.717 -11.003 7.519 1.00 0.00 H new ATOM 347 N ALA A 22 55.485 -8.150 8.462 1.00 0.00 N ATOM 348 CA ALA A 22 54.321 -8.834 7.817 1.00 0.00 C ATOM 349 C ALA A 22 53.976 -8.147 6.488 1.00 0.00 C ATOM 350 O ALA A 22 53.711 -8.798 5.496 1.00 0.00 O ATOM 351 CB ALA A 22 53.167 -8.687 8.814 1.00 0.00 C ATOM 0 H ALA A 22 55.246 -7.525 9.232 1.00 0.00 H new ATOM 0 HA ALA A 22 54.530 -9.880 7.591 1.00 0.00 H new ATOM 0 HB1 ALA A 22 52.275 -9.165 8.411 1.00 0.00 H new ATOM 0 HB2 ALA A 22 53.438 -9.161 9.757 1.00 0.00 H new ATOM 0 HB3 ALA A 22 52.966 -7.629 8.985 1.00 0.00 H new ATOM 357 N ALA A 23 53.985 -6.834 6.464 1.00 0.00 N ATOM 358 CA ALA A 23 53.665 -6.095 5.202 1.00 0.00 C ATOM 359 C ALA A 23 54.699 -6.418 4.114 1.00 0.00 C ATOM 360 O ALA A 23 54.355 -6.633 2.968 1.00 0.00 O ATOM 361 CB ALA A 23 53.725 -4.611 5.576 1.00 0.00 C ATOM 0 H ALA A 23 54.201 -6.242 7.266 1.00 0.00 H new ATOM 0 HA ALA A 23 52.690 -6.374 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 23 53.501 -4.005 4.698 1.00 0.00 H new ATOM 0 HB2 ALA A 23 52.994 -4.403 6.357 1.00 0.00 H new ATOM 0 HB3 ALA A 23 54.723 -4.367 5.939 1.00 0.00 H new ATOM 367 N PHE A 24 55.963 -6.455 4.467 1.00 0.00 N ATOM 368 CA PHE A 24 57.022 -6.767 3.457 1.00 0.00 C ATOM 369 C PHE A 24 56.832 -8.186 2.900 1.00 0.00 C ATOM 370 O PHE A 24 56.950 -8.407 1.710 1.00 0.00 O ATOM 371 CB PHE A 24 58.351 -6.658 4.213 1.00 0.00 C ATOM 372 CG PHE A 24 59.496 -6.866 3.249 1.00 0.00 C ATOM 373 CD1 PHE A 24 59.918 -5.815 2.427 1.00 0.00 C ATOM 374 CD2 PHE A 24 60.131 -8.110 3.174 1.00 0.00 C ATOM 375 CE1 PHE A 24 60.974 -6.007 1.531 1.00 0.00 C ATOM 376 CE2 PHE A 24 61.188 -8.303 2.277 1.00 0.00 C ATOM 377 CZ PHE A 24 61.609 -7.251 1.456 1.00 0.00 C ATOM 0 H PHE A 24 56.306 -6.282 5.412 1.00 0.00 H new ATOM 0 HA PHE A 24 56.984 -6.087 2.606 1.00 0.00 H new ATOM 0 HB2 PHE A 24 58.433 -5.680 4.687 1.00 0.00 H new ATOM 0 HB3 PHE A 24 58.391 -7.402 5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 24 59.427 -4.855 2.485 1.00 0.00 H new ATOM 0 HD2 PHE A 24 59.806 -8.921 3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 24 61.299 -5.195 0.897 1.00 0.00 H new ATOM 0 HE2 PHE A 24 61.678 -9.263 2.219 1.00 0.00 H new ATOM 0 HZ PHE A 24 62.425 -7.400 0.764 1.00 0.00 H new ATOM 387 N ASP A 25 56.535 -9.143 3.748 1.00 0.00 N ATOM 388 CA ASP A 25 56.333 -10.547 3.262 1.00 0.00 C ATOM 389 C ASP A 25 55.211 -10.591 2.218 1.00 0.00 C ATOM 390 O ASP A 25 55.349 -11.203 1.176 1.00 0.00 O ATOM 391 CB ASP A 25 55.949 -11.350 4.508 1.00 0.00 C ATOM 392 CG ASP A 25 57.204 -11.968 5.129 1.00 0.00 C ATOM 393 OD1 ASP A 25 58.167 -11.244 5.325 1.00 0.00 O ATOM 394 OD2 ASP A 25 57.177 -13.154 5.408 1.00 0.00 O ATOM 0 H ASP A 25 56.424 -9.013 4.754 1.00 0.00 H new ATOM 0 HA ASP A 25 57.225 -10.950 2.782 1.00 0.00 H new ATOM 0 HB2 ASP A 25 55.454 -10.702 5.232 1.00 0.00 H new ATOM 0 HB3 ASP A 25 55.239 -12.133 4.243 1.00 0.00 H new ATOM 399 N ILE A 26 54.110 -9.931 2.482 1.00 0.00 N ATOM 400 CA ILE A 26 52.986 -9.915 1.493 1.00 0.00 C ATOM 401 C ILE A 26 53.408 -9.120 0.244 1.00 0.00 C ATOM 402 O ILE A 26 52.938 -9.372 -0.850 1.00 0.00 O ATOM 403 CB ILE A 26 51.817 -9.228 2.216 1.00 0.00 C ATOM 404 CG1 ILE A 26 51.315 -10.133 3.348 1.00 0.00 C ATOM 405 CG2 ILE A 26 50.673 -8.974 1.231 1.00 0.00 C ATOM 406 CD1 ILE A 26 50.741 -9.275 4.479 1.00 0.00 C ATOM 0 H ILE A 26 53.941 -9.403 3.338 1.00 0.00 H new ATOM 0 HA ILE A 26 52.709 -10.914 1.158 1.00 0.00 H new ATOM 0 HB ILE A 26 52.159 -8.278 2.626 1.00 0.00 H new ATOM 0 HG12 ILE A 26 50.551 -10.813 2.971 1.00 0.00 H new ATOM 0 HG13 ILE A 26 52.132 -10.748 3.724 1.00 0.00 H new ATOM 0 HG21 ILE A 26 49.847 -8.487 1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 26 51.024 -8.331 0.424 1.00 0.00 H new ATOM 0 HG23 ILE A 26 50.332 -9.923 0.817 1.00 0.00 H new ATOM 0 HD11 ILE A 26 50.385 -9.921 5.281 1.00 0.00 H new ATOM 0 HD12 ILE A 26 51.517 -8.613 4.863 1.00 0.00 H new ATOM 0 HD13 ILE A 26 49.911 -8.679 4.098 1.00 0.00 H new ATOM 418 N PHE A 27 54.295 -8.166 0.404 1.00 0.00 N ATOM 419 CA PHE A 27 54.756 -7.352 -0.766 1.00 0.00 C ATOM 420 C PHE A 27 55.685 -8.170 -1.678 1.00 0.00 C ATOM 421 O PHE A 27 55.576 -8.104 -2.887 1.00 0.00 O ATOM 422 CB PHE A 27 55.512 -6.162 -0.161 1.00 0.00 C ATOM 423 CG PHE A 27 54.829 -4.877 -0.561 1.00 0.00 C ATOM 424 CD1 PHE A 27 54.711 -4.541 -1.914 1.00 0.00 C ATOM 425 CD2 PHE A 27 54.309 -4.025 0.420 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.072 -3.355 -2.288 1.00 0.00 C ATOM 427 CE2 PHE A 27 53.671 -2.837 0.047 1.00 0.00 C ATOM 428 CZ PHE A 27 53.552 -2.502 -1.308 1.00 0.00 C ATOM 0 H PHE A 27 54.720 -7.916 1.297 1.00 0.00 H new ATOM 0 HA PHE A 27 53.917 -7.033 -1.385 1.00 0.00 H new ATOM 0 HB2 PHE A 27 55.540 -6.249 0.925 1.00 0.00 H new ATOM 0 HB3 PHE A 27 56.546 -6.160 -0.507 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.114 -5.198 -2.670 1.00 0.00 H new ATOM 0 HD2 PHE A 27 54.400 -4.284 1.464 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.980 -3.097 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 27 53.270 -2.178 0.803 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.059 -1.585 -1.596 1.00 0.00 H new ATOM 438 N VAL A 28 56.599 -8.931 -1.116 1.00 0.00 N ATOM 439 CA VAL A 28 57.538 -9.740 -1.971 1.00 0.00 C ATOM 440 C VAL A 28 56.992 -11.156 -2.224 1.00 0.00 C ATOM 441 O VAL A 28 57.740 -12.116 -2.261 1.00 0.00 O ATOM 442 CB VAL A 28 58.869 -9.805 -1.196 1.00 0.00 C ATOM 443 CG1 VAL A 28 59.358 -8.390 -0.880 1.00 0.00 C ATOM 444 CG2 VAL A 28 58.683 -10.584 0.112 1.00 0.00 C ATOM 0 H VAL A 28 56.736 -9.028 -0.110 1.00 0.00 H new ATOM 0 HA VAL A 28 57.663 -9.280 -2.951 1.00 0.00 H new ATOM 0 HB VAL A 28 59.608 -10.315 -1.814 1.00 0.00 H new ATOM 0 HG11 VAL A 28 60.299 -8.444 -0.332 1.00 0.00 H new ATOM 0 HG12 VAL A 28 59.510 -7.842 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 28 58.614 -7.875 -0.273 1.00 0.00 H new ATOM 0 HG21 VAL A 28 59.630 -10.623 0.650 1.00 0.00 H new ATOM 0 HG22 VAL A 28 57.935 -10.086 0.729 1.00 0.00 H new ATOM 0 HG23 VAL A 28 58.351 -11.598 -0.112 1.00 0.00 H new ATOM 454 N LEU A 29 55.705 -11.297 -2.420 1.00 0.00 N ATOM 455 CA LEU A 29 55.137 -12.656 -2.691 1.00 0.00 C ATOM 456 C LEU A 29 55.587 -13.143 -4.074 1.00 0.00 C ATOM 457 O LEU A 29 55.868 -14.310 -4.267 1.00 0.00 O ATOM 458 CB LEU A 29 53.618 -12.482 -2.635 1.00 0.00 C ATOM 459 CG LEU A 29 53.112 -12.909 -1.256 1.00 0.00 C ATOM 460 CD1 LEU A 29 51.702 -12.360 -1.032 1.00 0.00 C ATOM 461 CD2 LEU A 29 53.081 -14.437 -1.182 1.00 0.00 C ATOM 0 H LEU A 29 55.026 -10.536 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 29 55.475 -13.399 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 29 53.352 -11.443 -2.827 1.00 0.00 H new ATOM 0 HB3 LEU A 29 53.143 -13.081 -3.411 1.00 0.00 H new ATOM 0 HG LEU A 29 53.777 -12.517 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 29 51.344 -12.666 -0.049 1.00 0.00 H new ATOM 0 HD12 LEU A 29 51.722 -11.272 -1.088 1.00 0.00 H new ATOM 0 HD13 LEU A 29 51.033 -12.751 -1.799 1.00 0.00 H new ATOM 0 HD21 LEU A 29 52.721 -14.747 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 29 52.414 -14.825 -1.952 1.00 0.00 H new ATOM 0 HD23 LEU A 29 54.086 -14.829 -1.340 1.00 0.00 H new ATOM 473 N GLY A 30 55.677 -12.252 -5.032 1.00 0.00 N ATOM 474 CA GLY A 30 56.130 -12.652 -6.398 1.00 0.00 C ATOM 475 C GLY A 30 57.591 -12.228 -6.594 1.00 0.00 C ATOM 476 O GLY A 30 57.978 -11.796 -7.664 1.00 0.00 O ATOM 0 H GLY A 30 55.455 -11.262 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 30 56.033 -13.730 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 30 55.499 -12.184 -7.154 1.00 0.00 H new ATOM 480 N ALA A 31 58.401 -12.349 -5.568 1.00 0.00 N ATOM 481 CA ALA A 31 59.840 -11.956 -5.682 1.00 0.00 C ATOM 482 C ALA A 31 60.746 -13.088 -5.171 1.00 0.00 C ATOM 483 O ALA A 31 60.290 -14.181 -4.886 1.00 0.00 O ATOM 484 CB ALA A 31 59.979 -10.709 -4.800 1.00 0.00 C ATOM 0 H ALA A 31 58.124 -12.705 -4.653 1.00 0.00 H new ATOM 0 HA ALA A 31 60.135 -11.761 -6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 31 61.010 -10.356 -4.829 1.00 0.00 H new ATOM 0 HB2 ALA A 31 59.317 -9.926 -5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 31 59.709 -10.957 -3.774 1.00 0.00 H new ATOM 490 N GLU A 32 62.025 -12.833 -5.053 1.00 0.00 N ATOM 491 CA GLU A 32 62.965 -13.882 -4.561 1.00 0.00 C ATOM 492 C GLU A 32 63.942 -13.269 -3.550 1.00 0.00 C ATOM 493 O GLU A 32 64.210 -12.082 -3.579 1.00 0.00 O ATOM 494 CB GLU A 32 63.706 -14.370 -5.813 1.00 0.00 C ATOM 495 CG GLU A 32 63.650 -15.901 -5.888 1.00 0.00 C ATOM 496 CD GLU A 32 64.494 -16.507 -4.764 1.00 0.00 C ATOM 497 OE1 GLU A 32 65.685 -16.671 -4.965 1.00 0.00 O ATOM 498 OE2 GLU A 32 63.933 -16.794 -3.718 1.00 0.00 O ATOM 0 H GLU A 32 62.459 -11.938 -5.278 1.00 0.00 H new ATOM 0 HA GLU A 32 62.454 -14.700 -4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 32 63.255 -13.937 -6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 64.743 -14.036 -5.786 1.00 0.00 H new ATOM 0 HG2 GLU A 32 62.618 -16.241 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 32 64.019 -16.240 -6.856 1.00 0.00 H new ATOM 505 N ASP A 33 64.464 -14.069 -2.653 1.00 0.00 N ATOM 506 CA ASP A 33 65.426 -13.559 -1.618 1.00 0.00 C ATOM 507 C ASP A 33 64.768 -12.517 -0.689 1.00 0.00 C ATOM 508 O ASP A 33 65.447 -11.815 0.037 1.00 0.00 O ATOM 509 CB ASP A 33 66.588 -12.935 -2.403 1.00 0.00 C ATOM 510 CG ASP A 33 67.913 -13.287 -1.724 1.00 0.00 C ATOM 511 OD1 ASP A 33 68.411 -14.373 -1.969 1.00 0.00 O ATOM 512 OD2 ASP A 33 68.407 -12.465 -0.971 1.00 0.00 O ATOM 0 H ASP A 33 64.264 -15.067 -2.591 1.00 0.00 H new ATOM 0 HA ASP A 33 65.763 -14.366 -0.967 1.00 0.00 H new ATOM 0 HB2 ASP A 33 66.585 -13.302 -3.430 1.00 0.00 H new ATOM 0 HB3 ASP A 33 66.468 -11.853 -2.451 1.00 0.00 H new ATOM 517 N GLY A 34 63.458 -12.422 -0.693 1.00 0.00 N ATOM 518 CA GLY A 34 62.764 -11.440 0.197 1.00 0.00 C ATOM 519 C GLY A 34 63.203 -10.011 -0.143 1.00 0.00 C ATOM 520 O GLY A 34 63.693 -9.290 0.704 1.00 0.00 O ATOM 0 H GLY A 34 62.839 -12.985 -1.277 1.00 0.00 H new ATOM 0 HA2 GLY A 34 61.684 -11.533 0.081 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.992 -11.659 1.240 1.00 0.00 H new ATOM 524 N CYS A 35 63.027 -9.599 -1.372 1.00 0.00 N ATOM 525 CA CYS A 35 63.428 -8.212 -1.768 1.00 0.00 C ATOM 526 C CYS A 35 62.324 -7.566 -2.618 1.00 0.00 C ATOM 527 O CYS A 35 61.870 -8.134 -3.594 1.00 0.00 O ATOM 528 CB CYS A 35 64.711 -8.390 -2.585 1.00 0.00 C ATOM 529 SG CYS A 35 65.710 -6.883 -2.479 1.00 0.00 S ATOM 0 H CYS A 35 62.623 -10.162 -2.120 1.00 0.00 H new ATOM 0 HA CYS A 35 63.584 -7.561 -0.908 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.278 -9.242 -2.210 1.00 0.00 H new ATOM 0 HB3 CYS A 35 64.465 -8.604 -3.625 1.00 0.00 H new ATOM 0 HG CYS A 35 65.033 -5.879 -2.953 1.00 0.00 H new ATOM 535 N ILE A 36 61.884 -6.384 -2.252 1.00 0.00 N ATOM 536 CA ILE A 36 60.803 -5.709 -3.043 1.00 0.00 C ATOM 537 C ILE A 36 61.378 -5.120 -4.340 1.00 0.00 C ATOM 538 O ILE A 36 62.389 -4.440 -4.336 1.00 0.00 O ATOM 539 CB ILE A 36 60.247 -4.592 -2.135 1.00 0.00 C ATOM 540 CG1 ILE A 36 59.245 -5.192 -1.141 1.00 0.00 C ATOM 541 CG2 ILE A 36 59.533 -3.531 -2.985 1.00 0.00 C ATOM 542 CD1 ILE A 36 58.751 -4.102 -0.181 1.00 0.00 C ATOM 0 H ILE A 36 62.224 -5.860 -1.445 1.00 0.00 H new ATOM 0 HA ILE A 36 60.020 -6.410 -3.332 1.00 0.00 H new ATOM 0 HB ILE A 36 61.074 -4.129 -1.596 1.00 0.00 H new ATOM 0 HG12 ILE A 36 58.402 -5.626 -1.678 1.00 0.00 H new ATOM 0 HG13 ILE A 36 59.715 -5.999 -0.579 1.00 0.00 H new ATOM 0 HG21 ILE A 36 59.144 -2.747 -2.336 1.00 0.00 H new ATOM 0 HG22 ILE A 36 60.238 -3.098 -3.695 1.00 0.00 H new ATOM 0 HG23 ILE A 36 58.709 -3.994 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 36 58.039 -4.533 0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 36 59.598 -3.688 0.366 1.00 0.00 H new ATOM 0 HD13 ILE A 36 58.264 -3.310 -0.750 1.00 0.00 H new ATOM 554 N SER A 37 60.723 -5.368 -5.445 1.00 0.00 N ATOM 555 CA SER A 37 61.198 -4.819 -6.753 1.00 0.00 C ATOM 556 C SER A 37 60.144 -3.861 -7.329 1.00 0.00 C ATOM 557 O SER A 37 59.055 -3.733 -6.799 1.00 0.00 O ATOM 558 CB SER A 37 61.377 -6.039 -7.659 1.00 0.00 C ATOM 559 OG SER A 37 61.997 -5.635 -8.874 1.00 0.00 O ATOM 0 H SER A 37 59.874 -5.931 -5.499 1.00 0.00 H new ATOM 0 HA SER A 37 62.125 -4.254 -6.656 1.00 0.00 H new ATOM 0 HB2 SER A 37 61.987 -6.792 -7.159 1.00 0.00 H new ATOM 0 HB3 SER A 37 60.410 -6.498 -7.866 1.00 0.00 H new ATOM 0 HG SER A 37 62.115 -6.415 -9.456 1.00 0.00 H new ATOM 565 N THR A 38 60.457 -3.188 -8.408 1.00 0.00 N ATOM 566 CA THR A 38 59.471 -2.235 -9.021 1.00 0.00 C ATOM 567 C THR A 38 58.200 -2.978 -9.456 1.00 0.00 C ATOM 568 O THR A 38 57.096 -2.536 -9.197 1.00 0.00 O ATOM 569 CB THR A 38 60.176 -1.635 -10.243 1.00 0.00 C ATOM 570 OG1 THR A 38 60.734 -2.678 -11.035 1.00 0.00 O ATOM 571 CG2 THR A 38 61.287 -0.689 -9.787 1.00 0.00 C ATOM 0 H THR A 38 61.352 -3.255 -8.893 1.00 0.00 H new ATOM 0 HA THR A 38 59.166 -1.467 -8.310 1.00 0.00 H new ATOM 0 HB THR A 38 59.451 -1.079 -10.837 1.00 0.00 H new ATOM 0 HG1 THR A 38 61.182 -2.292 -11.816 1.00 0.00 H new ATOM 0 HG21 THR A 38 61.785 -0.265 -10.659 1.00 0.00 H new ATOM 0 HG22 THR A 38 60.858 0.114 -9.188 1.00 0.00 H new ATOM 0 HG23 THR A 38 62.012 -1.241 -9.188 1.00 0.00 H new ATOM 579 N LYS A 39 58.353 -4.103 -10.111 1.00 0.00 N ATOM 580 CA LYS A 39 57.162 -4.891 -10.565 1.00 0.00 C ATOM 581 C LYS A 39 56.294 -5.301 -9.361 1.00 0.00 C ATOM 582 O LYS A 39 55.081 -5.352 -9.455 1.00 0.00 O ATOM 583 CB LYS A 39 57.755 -6.126 -11.261 1.00 0.00 C ATOM 584 CG LYS A 39 56.672 -7.195 -11.459 1.00 0.00 C ATOM 585 CD LYS A 39 56.947 -8.383 -10.530 1.00 0.00 C ATOM 586 CE LYS A 39 55.791 -9.382 -10.625 1.00 0.00 C ATOM 587 NZ LYS A 39 55.994 -10.321 -9.482 1.00 0.00 N ATOM 0 H LYS A 39 59.256 -4.512 -10.352 1.00 0.00 H new ATOM 0 HA LYS A 39 56.514 -4.319 -11.229 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.176 -5.842 -12.225 1.00 0.00 H new ATOM 0 HB3 LYS A 39 58.572 -6.532 -10.664 1.00 0.00 H new ATOM 0 HG2 LYS A 39 55.689 -6.775 -11.247 1.00 0.00 H new ATOM 0 HG3 LYS A 39 56.660 -7.527 -12.497 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.884 -8.867 -10.808 1.00 0.00 H new ATOM 0 HD3 LYS A 39 57.059 -8.037 -9.503 1.00 0.00 H new ATOM 0 HE2 LYS A 39 54.827 -8.878 -10.555 1.00 0.00 H new ATOM 0 HE3 LYS A 39 55.805 -9.912 -11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 55.358 -11.137 -9.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 56.981 -10.650 -9.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 55.785 -9.831 -8.589 1.00 0.00 H new ATOM 601 N GLU A 40 56.905 -5.592 -8.236 1.00 0.00 N ATOM 602 CA GLU A 40 56.115 -5.998 -7.031 1.00 0.00 C ATOM 603 C GLU A 40 55.321 -4.805 -6.479 1.00 0.00 C ATOM 604 O GLU A 40 54.199 -4.958 -6.032 1.00 0.00 O ATOM 605 CB GLU A 40 57.148 -6.492 -6.013 1.00 0.00 C ATOM 606 CG GLU A 40 57.635 -7.889 -6.419 1.00 0.00 C ATOM 607 CD GLU A 40 56.535 -8.923 -6.153 1.00 0.00 C ATOM 608 OE1 GLU A 40 55.674 -9.079 -7.005 1.00 0.00 O ATOM 609 OE2 GLU A 40 56.573 -9.544 -5.106 1.00 0.00 O ATOM 0 H GLU A 40 57.916 -5.566 -8.101 1.00 0.00 H new ATOM 0 HA GLU A 40 55.384 -6.772 -7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 40 57.989 -5.801 -5.967 1.00 0.00 H new ATOM 0 HB3 GLU A 40 56.707 -6.524 -5.017 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.906 -7.897 -7.475 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.533 -8.148 -5.858 1.00 0.00 H new ATOM 616 N LEU A 41 55.876 -3.616 -6.522 1.00 0.00 N ATOM 617 CA LEU A 41 55.118 -2.427 -6.018 1.00 0.00 C ATOM 618 C LEU A 41 53.927 -2.162 -6.947 1.00 0.00 C ATOM 619 O LEU A 41 52.819 -1.929 -6.499 1.00 0.00 O ATOM 620 CB LEU A 41 56.108 -1.251 -6.049 1.00 0.00 C ATOM 621 CG LEU A 41 55.342 0.082 -6.118 1.00 0.00 C ATOM 622 CD1 LEU A 41 54.397 0.206 -4.919 1.00 0.00 C ATOM 623 CD2 LEU A 41 56.333 1.245 -6.095 1.00 0.00 C ATOM 0 H LEU A 41 56.811 -3.419 -6.880 1.00 0.00 H new ATOM 0 HA LEU A 41 54.727 -2.577 -5.012 1.00 0.00 H new ATOM 0 HB2 LEU A 41 56.738 -1.272 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 41 56.769 -1.345 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 41 54.762 0.108 -7.041 1.00 0.00 H new ATOM 0 HD11 LEU A 41 53.859 1.152 -4.976 1.00 0.00 H new ATOM 0 HD12 LEU A 41 53.684 -0.618 -4.931 1.00 0.00 H new ATOM 0 HD13 LEU A 41 54.975 0.172 -3.995 1.00 0.00 H new ATOM 0 HD21 LEU A 41 55.789 2.188 -6.144 1.00 0.00 H new ATOM 0 HD22 LEU A 41 56.915 1.209 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 41 57.004 1.168 -6.951 1.00 0.00 H new ATOM 635 N GLY A 42 54.152 -2.203 -8.238 1.00 0.00 N ATOM 636 CA GLY A 42 53.044 -1.959 -9.205 1.00 0.00 C ATOM 637 C GLY A 42 51.908 -2.962 -8.968 1.00 0.00 C ATOM 638 O GLY A 42 50.748 -2.634 -9.124 1.00 0.00 O ATOM 0 H GLY A 42 55.060 -2.396 -8.662 1.00 0.00 H new ATOM 0 HA2 GLY A 42 52.670 -0.941 -9.093 1.00 0.00 H new ATOM 0 HA3 GLY A 42 53.415 -2.052 -10.226 1.00 0.00 H new ATOM 642 N LYS A 43 52.232 -4.176 -8.579 1.00 0.00 N ATOM 643 CA LYS A 43 51.168 -5.200 -8.309 1.00 0.00 C ATOM 644 C LYS A 43 50.149 -4.639 -7.297 1.00 0.00 C ATOM 645 O LYS A 43 48.959 -4.865 -7.412 1.00 0.00 O ATOM 646 CB LYS A 43 51.928 -6.413 -7.741 1.00 0.00 C ATOM 647 CG LYS A 43 51.069 -7.152 -6.705 1.00 0.00 C ATOM 648 CD LYS A 43 51.855 -8.337 -6.136 1.00 0.00 C ATOM 649 CE LYS A 43 52.839 -7.837 -5.071 1.00 0.00 C ATOM 650 NZ LYS A 43 53.638 -9.034 -4.688 1.00 0.00 N ATOM 0 H LYS A 43 53.188 -4.502 -8.437 1.00 0.00 H new ATOM 0 HA LYS A 43 50.599 -5.472 -9.198 1.00 0.00 H new ATOM 0 HB2 LYS A 43 52.196 -7.092 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 43 52.859 -6.083 -7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 43 50.785 -6.472 -5.902 1.00 0.00 H new ATOM 0 HG3 LYS A 43 50.146 -7.503 -7.167 1.00 0.00 H new ATOM 0 HD2 LYS A 43 51.171 -9.065 -5.700 1.00 0.00 H new ATOM 0 HD3 LYS A 43 52.395 -8.845 -6.935 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.478 -7.046 -5.465 1.00 0.00 H new ATOM 0 HE3 LYS A 43 52.312 -7.423 -4.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.449 -8.739 -4.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 53.042 -9.689 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 53.982 -9.511 -5.546 1.00 0.00 H new ATOM 664 N VAL A 44 50.613 -3.896 -6.318 1.00 0.00 N ATOM 665 CA VAL A 44 49.684 -3.297 -5.305 1.00 0.00 C ATOM 666 C VAL A 44 49.114 -1.973 -5.843 1.00 0.00 C ATOM 667 O VAL A 44 47.942 -1.684 -5.691 1.00 0.00 O ATOM 668 CB VAL A 44 50.550 -3.050 -4.059 1.00 0.00 C ATOM 669 CG1 VAL A 44 49.721 -2.356 -2.975 1.00 0.00 C ATOM 670 CG2 VAL A 44 51.064 -4.386 -3.514 1.00 0.00 C ATOM 0 H VAL A 44 51.599 -3.678 -6.177 1.00 0.00 H new ATOM 0 HA VAL A 44 48.837 -3.945 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 44 51.392 -2.416 -4.336 1.00 0.00 H new ATOM 0 HG11 VAL A 44 50.342 -2.185 -2.096 1.00 0.00 H new ATOM 0 HG12 VAL A 44 49.355 -1.401 -3.352 1.00 0.00 H new ATOM 0 HG13 VAL A 44 48.875 -2.987 -2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 44 51.677 -4.207 -2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 44 50.218 -5.019 -3.246 1.00 0.00 H new ATOM 0 HG23 VAL A 44 51.663 -4.884 -4.277 1.00 0.00 H new ATOM 680 N MET A 45 49.941 -1.174 -6.479 1.00 0.00 N ATOM 681 CA MET A 45 49.463 0.133 -7.044 1.00 0.00 C ATOM 682 C MET A 45 48.425 -0.094 -8.155 1.00 0.00 C ATOM 683 O MET A 45 47.638 0.780 -8.456 1.00 0.00 O ATOM 684 CB MET A 45 50.716 0.800 -7.621 1.00 0.00 C ATOM 685 CG MET A 45 51.585 1.330 -6.480 1.00 0.00 C ATOM 686 SD MET A 45 52.523 2.767 -7.054 1.00 0.00 S ATOM 687 CE MET A 45 51.972 3.917 -5.771 1.00 0.00 C ATOM 0 H MET A 45 50.930 -1.371 -6.632 1.00 0.00 H new ATOM 0 HA MET A 45 48.978 0.746 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 45 51.280 0.083 -8.218 1.00 0.00 H new ATOM 0 HB3 MET A 45 50.433 1.616 -8.286 1.00 0.00 H new ATOM 0 HG2 MET A 45 50.960 1.606 -5.631 1.00 0.00 H new ATOM 0 HG3 MET A 45 52.266 0.552 -6.135 1.00 0.00 H new ATOM 0 HE1 MET A 45 52.600 4.808 -5.787 1.00 0.00 H new ATOM 0 HE2 MET A 45 50.936 4.200 -5.956 1.00 0.00 H new ATOM 0 HE3 MET A 45 52.048 3.437 -4.795 1.00 0.00 H new ATOM 697 N ARG A 46 48.425 -1.253 -8.768 1.00 0.00 N ATOM 698 CA ARG A 46 47.447 -1.545 -9.868 1.00 0.00 C ATOM 699 C ARG A 46 46.006 -1.194 -9.452 1.00 0.00 C ATOM 700 O ARG A 46 45.246 -0.659 -10.236 1.00 0.00 O ATOM 701 CB ARG A 46 47.582 -3.051 -10.114 1.00 0.00 C ATOM 702 CG ARG A 46 47.152 -3.385 -11.545 1.00 0.00 C ATOM 703 CD ARG A 46 45.661 -3.733 -11.564 1.00 0.00 C ATOM 704 NE ARG A 46 45.162 -3.229 -12.876 1.00 0.00 N ATOM 705 CZ ARG A 46 44.244 -2.305 -12.916 1.00 0.00 C ATOM 706 NH1 ARG A 46 42.986 -2.637 -12.890 1.00 0.00 N ATOM 707 NH2 ARG A 46 44.586 -1.050 -12.976 1.00 0.00 N ATOM 0 H ARG A 46 49.066 -2.017 -8.553 1.00 0.00 H new ATOM 0 HA ARG A 46 47.654 -0.952 -10.759 1.00 0.00 H new ATOM 0 HB2 ARG A 46 48.614 -3.364 -9.952 1.00 0.00 H new ATOM 0 HB3 ARG A 46 46.967 -3.601 -9.402 1.00 0.00 H new ATOM 0 HG2 ARG A 46 47.346 -2.537 -12.201 1.00 0.00 H new ATOM 0 HG3 ARG A 46 47.736 -4.223 -11.925 1.00 0.00 H new ATOM 0 HD2 ARG A 46 45.506 -4.808 -11.469 1.00 0.00 H new ATOM 0 HD3 ARG A 46 45.135 -3.261 -10.734 1.00 0.00 H new ATOM 0 HE ARG A 46 45.540 -3.608 -13.744 1.00 0.00 H new ATOM 0 HH11 ARG A 46 42.719 -3.620 -12.838 1.00 0.00 H new ATOM 0 HH12 ARG A 46 42.267 -1.914 -12.921 1.00 0.00 H new ATOM 0 HH21 ARG A 46 45.572 -0.790 -12.992 1.00 0.00 H new ATOM 0 HH22 ARG A 46 43.868 -0.327 -13.007 1.00 0.00 H new ATOM 721 N MET A 47 45.626 -1.495 -8.234 1.00 0.00 N ATOM 722 CA MET A 47 44.231 -1.182 -7.781 1.00 0.00 C ATOM 723 C MET A 47 44.157 0.178 -7.057 1.00 0.00 C ATOM 724 O MET A 47 43.117 0.548 -6.545 1.00 0.00 O ATOM 725 CB MET A 47 43.856 -2.326 -6.825 1.00 0.00 C ATOM 726 CG MET A 47 44.503 -2.100 -5.455 1.00 0.00 C ATOM 727 SD MET A 47 44.183 -3.526 -4.392 1.00 0.00 S ATOM 728 CE MET A 47 45.809 -3.577 -3.602 1.00 0.00 C ATOM 0 H MET A 47 46.218 -1.943 -7.535 1.00 0.00 H new ATOM 0 HA MET A 47 43.547 -1.106 -8.626 1.00 0.00 H new ATOM 0 HB2 MET A 47 42.773 -2.382 -6.719 1.00 0.00 H new ATOM 0 HB3 MET A 47 44.186 -3.279 -7.239 1.00 0.00 H new ATOM 0 HG2 MET A 47 45.577 -1.952 -5.569 1.00 0.00 H new ATOM 0 HG3 MET A 47 44.103 -1.195 -4.997 1.00 0.00 H new ATOM 0 HE1 MET A 47 45.824 -4.366 -2.851 1.00 0.00 H new ATOM 0 HE2 MET A 47 46.573 -3.777 -4.354 1.00 0.00 H new ATOM 0 HE3 MET A 47 46.012 -2.618 -3.125 1.00 0.00 H new ATOM 738 N LEU A 48 45.240 0.920 -6.993 1.00 0.00 N ATOM 739 CA LEU A 48 45.201 2.236 -6.288 1.00 0.00 C ATOM 740 C LEU A 48 45.858 3.338 -7.138 1.00 0.00 C ATOM 741 O LEU A 48 45.207 4.281 -7.545 1.00 0.00 O ATOM 742 CB LEU A 48 45.982 1.998 -4.990 1.00 0.00 C ATOM 743 CG LEU A 48 46.083 3.304 -4.200 1.00 0.00 C ATOM 744 CD1 LEU A 48 44.707 3.684 -3.644 1.00 0.00 C ATOM 745 CD2 LEU A 48 47.064 3.121 -3.041 1.00 0.00 C ATOM 0 H LEU A 48 46.142 0.670 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 48 44.182 2.575 -6.100 1.00 0.00 H new ATOM 0 HB2 LEU A 48 45.484 1.237 -4.390 1.00 0.00 H new ATOM 0 HB3 LEU A 48 46.979 1.622 -5.218 1.00 0.00 H new ATOM 0 HG LEU A 48 46.436 4.096 -4.860 1.00 0.00 H new ATOM 0 HD11 LEU A 48 44.786 4.615 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 48 44.005 3.815 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 48 44.349 2.892 -2.986 1.00 0.00 H new ATOM 0 HD21 LEU A 48 47.138 4.051 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 48 46.709 2.326 -2.386 1.00 0.00 H new ATOM 0 HD23 LEU A 48 48.046 2.856 -3.434 1.00 0.00 H new ATOM 757 N GLY A 49 47.141 3.230 -7.401 1.00 0.00 N ATOM 758 CA GLY A 49 47.839 4.277 -8.213 1.00 0.00 C ATOM 759 C GLY A 49 47.942 3.856 -9.690 1.00 0.00 C ATOM 760 O GLY A 49 48.753 4.389 -10.420 1.00 0.00 O ATOM 0 H GLY A 49 47.734 2.461 -7.088 1.00 0.00 H new ATOM 0 HA2 GLY A 49 47.298 5.220 -8.137 1.00 0.00 H new ATOM 0 HA3 GLY A 49 48.837 4.448 -7.810 1.00 0.00 H new ATOM 764 N GLN A 50 47.127 2.915 -10.130 1.00 0.00 N ATOM 765 CA GLN A 50 47.156 2.449 -11.563 1.00 0.00 C ATOM 766 C GLN A 50 48.490 1.756 -11.904 1.00 0.00 C ATOM 767 O GLN A 50 48.522 0.563 -12.135 1.00 0.00 O ATOM 768 CB GLN A 50 46.954 3.703 -12.429 1.00 0.00 C ATOM 769 CG GLN A 50 45.641 4.396 -12.050 1.00 0.00 C ATOM 770 CD GLN A 50 45.393 5.569 -13.000 1.00 0.00 C ATOM 771 OE1 GLN A 50 44.558 5.489 -13.877 1.00 0.00 O ATOM 772 NE2 GLN A 50 46.090 6.663 -12.866 1.00 0.00 N ATOM 0 H GLN A 50 46.434 2.444 -9.548 1.00 0.00 H new ATOM 0 HA GLN A 50 46.375 1.711 -11.745 1.00 0.00 H new ATOM 0 HB2 GLN A 50 47.790 4.389 -12.291 1.00 0.00 H new ATOM 0 HB3 GLN A 50 46.938 3.428 -13.484 1.00 0.00 H new ATOM 0 HG2 GLN A 50 44.814 3.688 -12.105 1.00 0.00 H new ATOM 0 HG3 GLN A 50 45.688 4.751 -11.021 1.00 0.00 H new ATOM 0 HE21 GLN A 50 46.792 6.733 -12.130 1.00 0.00 H new ATOM 0 HE22 GLN A 50 45.933 7.449 -13.497 1.00 0.00 H new ATOM 781 N ASN A 51 49.581 2.494 -11.942 1.00 0.00 N ATOM 782 CA ASN A 51 50.920 1.895 -12.272 1.00 0.00 C ATOM 783 C ASN A 51 50.934 1.333 -13.708 1.00 0.00 C ATOM 784 O ASN A 51 50.543 0.204 -13.937 1.00 0.00 O ATOM 785 CB ASN A 51 51.133 0.777 -11.242 1.00 0.00 C ATOM 786 CG ASN A 51 52.629 0.564 -11.023 1.00 0.00 C ATOM 787 OD1 ASN A 51 53.173 1.000 -10.031 1.00 0.00 O ATOM 788 ND2 ASN A 51 53.325 -0.095 -11.910 1.00 0.00 N ATOM 0 H ASN A 51 49.600 3.497 -11.756 1.00 0.00 H new ATOM 0 HA ASN A 51 51.716 2.639 -12.228 1.00 0.00 H new ATOM 0 HB2 ASN A 51 50.651 1.039 -10.300 1.00 0.00 H new ATOM 0 HB3 ASN A 51 50.671 -0.146 -11.591 1.00 0.00 H new ATOM 0 HD21 ASN A 51 54.324 -0.242 -11.768 1.00 0.00 H new ATOM 0 HD22 ASN A 51 52.869 -0.463 -12.745 1.00 0.00 H new ATOM 795 N PRO A 52 51.392 2.149 -14.632 1.00 0.00 N ATOM 796 CA PRO A 52 51.464 1.731 -16.060 1.00 0.00 C ATOM 797 C PRO A 52 52.638 0.766 -16.299 1.00 0.00 C ATOM 798 O PRO A 52 52.504 -0.220 -16.999 1.00 0.00 O ATOM 799 CB PRO A 52 51.678 3.047 -16.805 1.00 0.00 C ATOM 800 CG PRO A 52 52.315 3.966 -15.810 1.00 0.00 C ATOM 801 CD PRO A 52 51.882 3.520 -14.436 1.00 0.00 C ATOM 0 HA PRO A 52 50.574 1.195 -16.389 1.00 0.00 H new ATOM 0 HB2 PRO A 52 52.318 2.906 -17.676 1.00 0.00 H new ATOM 0 HB3 PRO A 52 50.733 3.453 -17.166 1.00 0.00 H new ATOM 0 HG2 PRO A 52 53.401 3.933 -15.899 1.00 0.00 H new ATOM 0 HG3 PRO A 52 52.011 4.997 -15.992 1.00 0.00 H new ATOM 0 HD2 PRO A 52 52.712 3.548 -13.730 1.00 0.00 H new ATOM 0 HD3 PRO A 52 51.101 4.167 -14.036 1.00 0.00 H new ATOM 809 N THR A 53 53.788 1.044 -15.728 1.00 0.00 N ATOM 810 CA THR A 53 54.970 0.141 -15.927 1.00 0.00 C ATOM 811 C THR A 53 55.804 0.052 -14.643 1.00 0.00 C ATOM 812 O THR A 53 55.801 0.963 -13.837 1.00 0.00 O ATOM 813 CB THR A 53 55.804 0.764 -17.064 1.00 0.00 C ATOM 814 OG1 THR A 53 57.150 0.312 -16.969 1.00 0.00 O ATOM 815 CG2 THR A 53 55.786 2.294 -16.974 1.00 0.00 C ATOM 0 H THR A 53 53.959 1.855 -15.134 1.00 0.00 H new ATOM 0 HA THR A 53 54.652 -0.872 -16.175 1.00 0.00 H new ATOM 0 HB THR A 53 55.370 0.459 -18.016 1.00 0.00 H new ATOM 0 HG1 THR A 53 57.680 0.707 -17.693 1.00 0.00 H new ATOM 0 HG21 THR A 53 56.381 2.713 -17.786 1.00 0.00 H new ATOM 0 HG22 THR A 53 54.759 2.651 -17.054 1.00 0.00 H new ATOM 0 HG23 THR A 53 56.205 2.607 -16.018 1.00 0.00 H new ATOM 823 N PRO A 54 56.502 -1.050 -14.505 1.00 0.00 N ATOM 824 CA PRO A 54 57.368 -1.269 -13.314 1.00 0.00 C ATOM 825 C PRO A 54 58.589 -0.332 -13.347 1.00 0.00 C ATOM 826 O PRO A 54 58.967 0.233 -12.340 1.00 0.00 O ATOM 827 CB PRO A 54 57.793 -2.732 -13.446 1.00 0.00 C ATOM 828 CG PRO A 54 57.679 -3.033 -14.905 1.00 0.00 C ATOM 829 CD PRO A 54 56.550 -2.190 -15.433 1.00 0.00 C ATOM 0 HA PRO A 54 56.860 -1.061 -12.372 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.812 -2.881 -13.090 1.00 0.00 H new ATOM 0 HB3 PRO A 54 57.150 -3.385 -12.856 1.00 0.00 H new ATOM 0 HG2 PRO A 54 58.610 -2.801 -15.422 1.00 0.00 H new ATOM 0 HG3 PRO A 54 57.480 -4.092 -15.067 1.00 0.00 H new ATOM 0 HD2 PRO A 54 56.737 -1.865 -16.457 1.00 0.00 H new ATOM 0 HD3 PRO A 54 55.609 -2.740 -15.440 1.00 0.00 H new ATOM 837 N GLU A 55 59.202 -0.162 -14.496 1.00 0.00 N ATOM 838 CA GLU A 55 60.401 0.740 -14.597 1.00 0.00 C ATOM 839 C GLU A 55 60.078 2.148 -14.073 1.00 0.00 C ATOM 840 O GLU A 55 60.945 2.849 -13.585 1.00 0.00 O ATOM 841 CB GLU A 55 60.740 0.792 -16.088 1.00 0.00 C ATOM 842 CG GLU A 55 61.664 -0.379 -16.438 1.00 0.00 C ATOM 843 CD GLU A 55 60.847 -1.669 -16.552 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.132 -1.812 -17.531 1.00 0.00 O ATOM 845 OE2 GLU A 55 60.947 -2.490 -15.655 1.00 0.00 O ATOM 0 H GLU A 55 58.925 -0.608 -15.370 1.00 0.00 H new ATOM 0 HA GLU A 55 61.233 0.369 -13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.828 0.741 -16.682 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.225 1.738 -16.330 1.00 0.00 H new ATOM 0 HG2 GLU A 55 62.179 -0.180 -17.378 1.00 0.00 H new ATOM 0 HG3 GLU A 55 62.431 -0.490 -15.672 1.00 0.00 H new ATOM 852 N GLU A 56 58.839 2.564 -14.168 1.00 0.00 N ATOM 853 CA GLU A 56 58.454 3.923 -13.676 1.00 0.00 C ATOM 854 C GLU A 56 58.610 4.027 -12.145 1.00 0.00 C ATOM 855 O GLU A 56 58.874 5.092 -11.617 1.00 0.00 O ATOM 856 CB GLU A 56 56.984 4.078 -14.082 1.00 0.00 C ATOM 857 CG GLU A 56 56.477 5.468 -13.681 1.00 0.00 C ATOM 858 CD GLU A 56 54.948 5.468 -13.647 1.00 0.00 C ATOM 859 OE1 GLU A 56 54.395 4.950 -12.690 1.00 0.00 O ATOM 860 OE2 GLU A 56 54.355 5.987 -14.578 1.00 0.00 O ATOM 0 H GLU A 56 58.075 2.018 -14.567 1.00 0.00 H new ATOM 0 HA GLU A 56 59.088 4.704 -14.097 1.00 0.00 H new ATOM 0 HB2 GLU A 56 56.878 3.939 -15.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 56.381 3.308 -13.600 1.00 0.00 H new ATOM 0 HG2 GLU A 56 56.872 5.742 -12.703 1.00 0.00 H new ATOM 0 HG3 GLU A 56 56.835 6.215 -14.390 1.00 0.00 H new ATOM 867 N LEU A 57 58.444 2.940 -11.427 1.00 0.00 N ATOM 868 CA LEU A 57 58.574 2.996 -9.934 1.00 0.00 C ATOM 869 C LEU A 57 60.039 2.866 -9.489 1.00 0.00 C ATOM 870 O LEU A 57 60.361 3.127 -8.344 1.00 0.00 O ATOM 871 CB LEU A 57 57.758 1.814 -9.402 1.00 0.00 C ATOM 872 CG LEU A 57 56.253 2.062 -9.589 1.00 0.00 C ATOM 873 CD1 LEU A 57 55.878 3.467 -9.105 1.00 0.00 C ATOM 874 CD2 LEU A 57 55.881 1.920 -11.066 1.00 0.00 C ATOM 0 H LEU A 57 58.225 2.020 -11.808 1.00 0.00 H new ATOM 0 HA LEU A 57 58.217 3.952 -9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 57 58.048 0.902 -9.923 1.00 0.00 H new ATOM 0 HB3 LEU A 57 57.977 1.661 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 57 55.706 1.325 -9.001 1.00 0.00 H new ATOM 0 HD11 LEU A 57 54.809 3.627 -9.244 1.00 0.00 H new ATOM 0 HD12 LEU A 57 56.125 3.566 -8.048 1.00 0.00 H new ATOM 0 HD13 LEU A 57 56.433 4.210 -9.678 1.00 0.00 H new ATOM 0 HD21 LEU A 57 54.813 2.097 -11.191 1.00 0.00 H new ATOM 0 HD22 LEU A 57 56.441 2.648 -11.654 1.00 0.00 H new ATOM 0 HD23 LEU A 57 56.124 0.914 -11.407 1.00 0.00 H new ATOM 886 N GLN A 58 60.929 2.473 -10.372 1.00 0.00 N ATOM 887 CA GLN A 58 62.372 2.344 -9.977 1.00 0.00 C ATOM 888 C GLN A 58 62.881 3.696 -9.434 1.00 0.00 C ATOM 889 O GLN A 58 63.728 3.741 -8.568 1.00 0.00 O ATOM 890 CB GLN A 58 63.105 1.914 -11.266 1.00 0.00 C ATOM 891 CG GLN A 58 64.272 2.861 -11.582 1.00 0.00 C ATOM 892 CD GLN A 58 65.330 2.122 -12.404 1.00 0.00 C ATOM 893 OE1 GLN A 58 65.167 1.927 -13.590 1.00 0.00 O ATOM 894 NE2 GLN A 58 66.417 1.698 -11.820 1.00 0.00 N ATOM 0 H GLN A 58 60.722 2.237 -11.342 1.00 0.00 H new ATOM 0 HA GLN A 58 62.538 1.616 -9.183 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.479 0.896 -11.153 1.00 0.00 H new ATOM 0 HB3 GLN A 58 62.404 1.905 -12.101 1.00 0.00 H new ATOM 0 HG2 GLN A 58 63.910 3.728 -12.134 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.712 3.233 -10.657 1.00 0.00 H new ATOM 0 HE21 GLN A 58 66.557 1.861 -10.823 1.00 0.00 H new ATOM 0 HE22 GLN A 58 67.127 1.204 -12.361 1.00 0.00 H new ATOM 903 N GLU A 59 62.346 4.794 -9.916 1.00 0.00 N ATOM 904 CA GLU A 59 62.776 6.131 -9.394 1.00 0.00 C ATOM 905 C GLU A 59 62.439 6.216 -7.897 1.00 0.00 C ATOM 906 O GLU A 59 63.186 6.764 -7.107 1.00 0.00 O ATOM 907 CB GLU A 59 61.954 7.149 -10.199 1.00 0.00 C ATOM 908 CG GLU A 59 62.152 8.559 -9.625 1.00 0.00 C ATOM 909 CD GLU A 59 60.886 9.003 -8.884 1.00 0.00 C ATOM 910 OE1 GLU A 59 59.959 9.444 -9.543 1.00 0.00 O ATOM 911 OE2 GLU A 59 60.866 8.897 -7.669 1.00 0.00 O ATOM 0 H GLU A 59 61.633 4.822 -10.645 1.00 0.00 H new ATOM 0 HA GLU A 59 63.846 6.310 -9.499 1.00 0.00 H new ATOM 0 HB2 GLU A 59 62.259 7.128 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 60.898 6.881 -10.169 1.00 0.00 H new ATOM 0 HG2 GLU A 59 63.004 8.568 -8.945 1.00 0.00 H new ATOM 0 HG3 GLU A 59 62.378 9.260 -10.429 1.00 0.00 H new ATOM 918 N MET A 60 61.317 5.657 -7.513 1.00 0.00 N ATOM 919 CA MET A 60 60.899 5.672 -6.078 1.00 0.00 C ATOM 920 C MET A 60 61.768 4.709 -5.254 1.00 0.00 C ATOM 921 O MET A 60 62.153 5.014 -4.140 1.00 0.00 O ATOM 922 CB MET A 60 59.437 5.200 -6.087 1.00 0.00 C ATOM 923 CG MET A 60 58.583 6.167 -6.916 1.00 0.00 C ATOM 924 SD MET A 60 57.225 6.802 -5.901 1.00 0.00 S ATOM 925 CE MET A 60 56.094 5.409 -6.132 1.00 0.00 C ATOM 0 H MET A 60 60.666 5.186 -8.141 1.00 0.00 H new ATOM 0 HA MET A 60 61.010 6.659 -5.629 1.00 0.00 H new ATOM 0 HB2 MET A 60 59.373 4.195 -6.504 1.00 0.00 H new ATOM 0 HB3 MET A 60 59.056 5.147 -5.067 1.00 0.00 H new ATOM 0 HG2 MET A 60 59.197 6.992 -7.277 1.00 0.00 H new ATOM 0 HG3 MET A 60 58.186 5.657 -7.794 1.00 0.00 H new ATOM 0 HE1 MET A 60 55.395 5.365 -5.297 1.00 0.00 H new ATOM 0 HE2 MET A 60 55.541 5.540 -7.062 1.00 0.00 H new ATOM 0 HE3 MET A 60 56.664 4.481 -6.177 1.00 0.00 H new ATOM 935 N ILE A 61 62.077 3.549 -5.788 1.00 0.00 N ATOM 936 CA ILE A 61 62.917 2.571 -5.025 1.00 0.00 C ATOM 937 C ILE A 61 64.398 2.991 -5.033 1.00 0.00 C ATOM 938 O ILE A 61 65.085 2.844 -4.043 1.00 0.00 O ATOM 939 CB ILE A 61 62.718 1.215 -5.726 1.00 0.00 C ATOM 940 CG1 ILE A 61 63.179 0.098 -4.787 1.00 0.00 C ATOM 941 CG2 ILE A 61 63.528 1.157 -7.024 1.00 0.00 C ATOM 942 CD1 ILE A 61 62.798 -1.264 -5.374 1.00 0.00 C ATOM 0 H ILE A 61 61.785 3.239 -6.715 1.00 0.00 H new ATOM 0 HA ILE A 61 62.623 2.523 -3.977 1.00 0.00 H new ATOM 0 HB ILE A 61 61.663 1.091 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 61 64.258 0.153 -4.644 1.00 0.00 H new ATOM 0 HG13 ILE A 61 62.720 0.223 -3.806 1.00 0.00 H new ATOM 0 HG21 ILE A 61 63.375 0.191 -7.506 1.00 0.00 H new ATOM 0 HG22 ILE A 61 63.200 1.952 -7.693 1.00 0.00 H new ATOM 0 HG23 ILE A 61 64.587 1.286 -6.798 1.00 0.00 H new ATOM 0 HD11 ILE A 61 63.129 -2.055 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 61 61.716 -1.319 -5.494 1.00 0.00 H new ATOM 0 HD13 ILE A 61 63.278 -1.389 -6.345 1.00 0.00 H new ATOM 954 N ASP A 62 64.893 3.512 -6.132 1.00 0.00 N ATOM 955 CA ASP A 62 66.330 3.937 -6.185 1.00 0.00 C ATOM 956 C ASP A 62 66.571 5.130 -5.249 1.00 0.00 C ATOM 957 O ASP A 62 67.616 5.240 -4.637 1.00 0.00 O ATOM 958 CB ASP A 62 66.589 4.329 -7.645 1.00 0.00 C ATOM 959 CG ASP A 62 67.154 3.125 -8.404 1.00 0.00 C ATOM 960 OD1 ASP A 62 66.365 2.348 -8.916 1.00 0.00 O ATOM 961 OD2 ASP A 62 68.366 3.003 -8.460 1.00 0.00 O ATOM 0 H ASP A 62 64.366 3.661 -6.992 1.00 0.00 H new ATOM 0 HA ASP A 62 67.001 3.142 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 62 65.663 4.665 -8.112 1.00 0.00 H new ATOM 0 HB3 ASP A 62 67.290 5.163 -7.690 1.00 0.00 H new ATOM 966 N GLU A 63 65.607 6.014 -5.127 1.00 0.00 N ATOM 967 CA GLU A 63 65.767 7.197 -4.221 1.00 0.00 C ATOM 968 C GLU A 63 66.079 6.737 -2.786 1.00 0.00 C ATOM 969 O GLU A 63 66.819 7.383 -2.067 1.00 0.00 O ATOM 970 CB GLU A 63 64.418 7.922 -4.274 1.00 0.00 C ATOM 971 CG GLU A 63 64.496 9.222 -3.467 1.00 0.00 C ATOM 972 CD GLU A 63 63.433 9.208 -2.369 1.00 0.00 C ATOM 973 OE1 GLU A 63 62.271 9.396 -2.691 1.00 0.00 O ATOM 974 OE2 GLU A 63 63.798 9.007 -1.224 1.00 0.00 O ATOM 0 H GLU A 63 64.714 5.966 -5.618 1.00 0.00 H new ATOM 0 HA GLU A 63 66.590 7.842 -4.529 1.00 0.00 H new ATOM 0 HB2 GLU A 63 64.153 8.141 -5.308 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.634 7.280 -3.872 1.00 0.00 H new ATOM 0 HG2 GLU A 63 65.487 9.329 -3.026 1.00 0.00 H new ATOM 0 HG3 GLU A 63 64.344 10.079 -4.123 1.00 0.00 H new ATOM 981 N VAL A 64 65.526 5.624 -2.370 1.00 0.00 N ATOM 982 CA VAL A 64 65.795 5.117 -0.988 1.00 0.00 C ATOM 983 C VAL A 64 66.827 3.974 -1.020 1.00 0.00 C ATOM 984 O VAL A 64 67.450 3.674 -0.020 1.00 0.00 O ATOM 985 CB VAL A 64 64.442 4.612 -0.469 1.00 0.00 C ATOM 986 CG1 VAL A 64 64.573 4.215 1.005 1.00 0.00 C ATOM 987 CG2 VAL A 64 63.390 5.719 -0.599 1.00 0.00 C ATOM 0 H VAL A 64 64.899 5.044 -2.928 1.00 0.00 H new ATOM 0 HA VAL A 64 66.210 5.893 -0.345 1.00 0.00 H new ATOM 0 HB VAL A 64 64.135 3.747 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 64 63.611 3.857 1.372 1.00 0.00 H new ATOM 0 HG12 VAL A 64 65.317 3.424 1.104 1.00 0.00 H new ATOM 0 HG13 VAL A 64 64.884 5.081 1.589 1.00 0.00 H new ATOM 0 HG21 VAL A 64 62.431 5.355 -0.229 1.00 0.00 H new ATOM 0 HG22 VAL A 64 63.699 6.585 -0.014 1.00 0.00 H new ATOM 0 HG23 VAL A 64 63.290 6.005 -1.646 1.00 0.00 H new ATOM 997 N ASP A 65 67.004 3.332 -2.156 1.00 0.00 N ATOM 998 CA ASP A 65 67.989 2.204 -2.249 1.00 0.00 C ATOM 999 C ASP A 65 69.400 2.680 -1.871 1.00 0.00 C ATOM 1000 O ASP A 65 69.918 2.318 -0.832 1.00 0.00 O ATOM 1001 CB ASP A 65 67.938 1.741 -3.717 1.00 0.00 C ATOM 1002 CG ASP A 65 68.947 0.606 -3.950 1.00 0.00 C ATOM 1003 OD1 ASP A 65 68.669 -0.506 -3.537 1.00 0.00 O ATOM 1004 OD2 ASP A 65 69.980 0.865 -4.546 1.00 0.00 O ATOM 0 H ASP A 65 66.508 3.542 -3.022 1.00 0.00 H new ATOM 0 HA ASP A 65 67.745 1.394 -1.562 1.00 0.00 H new ATOM 0 HB2 ASP A 65 66.933 1.400 -3.964 1.00 0.00 H new ATOM 0 HB3 ASP A 65 68.162 2.578 -4.378 1.00 0.00 H new ATOM 1009 N GLU A 66 70.027 3.479 -2.711 1.00 0.00 N ATOM 1010 CA GLU A 66 71.417 3.970 -2.415 1.00 0.00 C ATOM 1011 C GLU A 66 72.325 2.793 -2.014 1.00 0.00 C ATOM 1012 O GLU A 66 73.250 2.939 -1.236 1.00 0.00 O ATOM 1013 CB GLU A 66 71.263 4.966 -1.258 1.00 0.00 C ATOM 1014 CG GLU A 66 70.958 6.361 -1.817 1.00 0.00 C ATOM 1015 CD GLU A 66 72.187 6.907 -2.549 1.00 0.00 C ATOM 1016 OE1 GLU A 66 73.077 7.406 -1.881 1.00 0.00 O ATOM 1017 OE2 GLU A 66 72.216 6.815 -3.765 1.00 0.00 O ATOM 0 H GLU A 66 69.634 3.812 -3.591 1.00 0.00 H new ATOM 0 HA GLU A 66 71.879 4.439 -3.283 1.00 0.00 H new ATOM 0 HB2 GLU A 66 70.460 4.646 -0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 66 72.177 4.993 -0.664 1.00 0.00 H new ATOM 0 HG2 GLU A 66 70.109 6.312 -2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 66 70.677 7.034 -1.007 1.00 0.00 H new ATOM 1024 N ASP A 67 72.052 1.628 -2.544 1.00 0.00 N ATOM 1025 CA ASP A 67 72.861 0.419 -2.214 1.00 0.00 C ATOM 1026 C ASP A 67 73.792 0.059 -3.380 1.00 0.00 C ATOM 1027 O ASP A 67 74.844 -0.521 -3.187 1.00 0.00 O ATOM 1028 CB ASP A 67 71.813 -0.684 -2.019 1.00 0.00 C ATOM 1029 CG ASP A 67 71.761 -1.126 -0.554 1.00 0.00 C ATOM 1030 OD1 ASP A 67 71.757 -0.269 0.311 1.00 0.00 O ATOM 1031 OD2 ASP A 67 71.706 -2.322 -0.329 1.00 0.00 O ATOM 0 H ASP A 67 71.290 1.463 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 67 73.495 0.566 -1.340 1.00 0.00 H new ATOM 0 HB2 ASP A 67 70.833 -0.321 -2.330 1.00 0.00 H new ATOM 0 HB3 ASP A 67 72.053 -1.537 -2.653 1.00 0.00 H new ATOM 1036 N GLY A 68 73.397 0.377 -4.590 1.00 0.00 N ATOM 1037 CA GLY A 68 74.234 0.035 -5.780 1.00 0.00 C ATOM 1038 C GLY A 68 73.531 -1.056 -6.602 1.00 0.00 C ATOM 1039 O GLY A 68 73.918 -1.345 -7.718 1.00 0.00 O ATOM 0 H GLY A 68 72.525 0.862 -4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 68 74.393 0.922 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 68 75.216 -0.312 -5.460 1.00 0.00 H new ATOM 1043 N SER A 69 72.502 -1.663 -6.054 1.00 0.00 N ATOM 1044 CA SER A 69 71.768 -2.738 -6.790 1.00 0.00 C ATOM 1045 C SER A 69 70.449 -2.206 -7.371 1.00 0.00 C ATOM 1046 O SER A 69 70.091 -2.518 -8.490 1.00 0.00 O ATOM 1047 CB SER A 69 71.496 -3.820 -5.739 1.00 0.00 C ATOM 1048 OG SER A 69 70.662 -3.292 -4.708 1.00 0.00 O ATOM 0 H SER A 69 72.139 -1.457 -5.123 1.00 0.00 H new ATOM 0 HA SER A 69 72.344 -3.117 -7.634 1.00 0.00 H new ATOM 0 HB2 SER A 69 71.014 -4.680 -6.205 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.436 -4.172 -5.315 1.00 0.00 H new ATOM 0 HG SER A 69 69.805 -3.768 -4.704 1.00 0.00 H new ATOM 1054 N GLY A 70 69.714 -1.426 -6.613 1.00 0.00 N ATOM 1055 CA GLY A 70 68.408 -0.895 -7.113 1.00 0.00 C ATOM 1056 C GLY A 70 67.292 -1.817 -6.622 1.00 0.00 C ATOM 1057 O GLY A 70 66.341 -2.095 -7.327 1.00 0.00 O ATOM 0 H GLY A 70 69.964 -1.135 -5.668 1.00 0.00 H new ATOM 0 HA2 GLY A 70 68.248 0.120 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 70 68.410 -0.848 -8.202 1.00 0.00 H new ATOM 1061 N THR A 71 67.418 -2.301 -5.414 1.00 0.00 N ATOM 1062 CA THR A 71 66.397 -3.227 -4.843 1.00 0.00 C ATOM 1063 C THR A 71 66.200 -2.933 -3.352 1.00 0.00 C ATOM 1064 O THR A 71 67.156 -2.771 -2.616 1.00 0.00 O ATOM 1065 CB THR A 71 66.986 -4.630 -5.032 1.00 0.00 C ATOM 1066 OG1 THR A 71 68.367 -4.626 -4.682 1.00 0.00 O ATOM 1067 CG2 THR A 71 66.827 -5.066 -6.489 1.00 0.00 C ATOM 0 H THR A 71 68.197 -2.090 -4.790 1.00 0.00 H new ATOM 0 HA THR A 71 65.425 -3.121 -5.326 1.00 0.00 H new ATOM 0 HB THR A 71 66.454 -5.329 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 71 68.738 -5.525 -4.803 1.00 0.00 H new ATOM 0 HG21 THR A 71 67.247 -6.063 -6.618 1.00 0.00 H new ATOM 0 HG22 THR A 71 65.769 -5.081 -6.751 1.00 0.00 H new ATOM 0 HG23 THR A 71 67.351 -4.365 -7.138 1.00 0.00 H new ATOM 1075 N VAL A 72 64.975 -2.863 -2.902 1.00 0.00 N ATOM 1076 CA VAL A 72 64.723 -2.576 -1.458 1.00 0.00 C ATOM 1077 C VAL A 72 64.335 -3.862 -0.711 1.00 0.00 C ATOM 1078 O VAL A 72 63.290 -4.438 -0.947 1.00 0.00 O ATOM 1079 CB VAL A 72 63.578 -1.551 -1.454 1.00 0.00 C ATOM 1080 CG1 VAL A 72 62.809 -1.613 -0.130 1.00 0.00 C ATOM 1081 CG2 VAL A 72 64.160 -0.145 -1.627 1.00 0.00 C ATOM 0 H VAL A 72 64.138 -2.992 -3.471 1.00 0.00 H new ATOM 0 HA VAL A 72 65.606 -2.190 -0.949 1.00 0.00 H new ATOM 0 HB VAL A 72 62.896 -1.781 -2.273 1.00 0.00 H new ATOM 0 HG11 VAL A 72 62.002 -0.881 -0.144 1.00 0.00 H new ATOM 0 HG12 VAL A 72 62.392 -2.611 0.002 1.00 0.00 H new ATOM 0 HG13 VAL A 72 63.486 -1.391 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 72 63.352 0.586 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 72 64.845 0.069 -0.806 1.00 0.00 H new ATOM 0 HG23 VAL A 72 64.698 -0.088 -2.573 1.00 0.00 H new ATOM 1091 N ASP A 73 65.173 -4.307 0.193 1.00 0.00 N ATOM 1092 CA ASP A 73 64.864 -5.547 0.970 1.00 0.00 C ATOM 1093 C ASP A 73 64.029 -5.195 2.216 1.00 0.00 C ATOM 1094 O ASP A 73 63.406 -4.151 2.277 1.00 0.00 O ATOM 1095 CB ASP A 73 66.238 -6.122 1.357 1.00 0.00 C ATOM 1096 CG ASP A 73 66.787 -5.409 2.599 1.00 0.00 C ATOM 1097 OD1 ASP A 73 67.028 -4.217 2.519 1.00 0.00 O ATOM 1098 OD2 ASP A 73 66.948 -6.069 3.611 1.00 0.00 O ATOM 0 H ASP A 73 66.061 -3.863 0.427 1.00 0.00 H new ATOM 0 HA ASP A 73 64.277 -6.267 0.400 1.00 0.00 H new ATOM 0 HB2 ASP A 73 66.150 -7.191 1.553 1.00 0.00 H new ATOM 0 HB3 ASP A 73 66.934 -6.007 0.526 1.00 0.00 H new ATOM 1103 N PHE A 74 64.018 -6.054 3.207 1.00 0.00 N ATOM 1104 CA PHE A 74 63.231 -5.772 4.448 1.00 0.00 C ATOM 1105 C PHE A 74 63.754 -4.502 5.134 1.00 0.00 C ATOM 1106 O PHE A 74 62.999 -3.599 5.440 1.00 0.00 O ATOM 1107 CB PHE A 74 63.448 -7.000 5.342 1.00 0.00 C ATOM 1108 CG PHE A 74 62.917 -6.725 6.731 1.00 0.00 C ATOM 1109 CD1 PHE A 74 61.542 -6.557 6.936 1.00 0.00 C ATOM 1110 CD2 PHE A 74 63.801 -6.634 7.813 1.00 0.00 C ATOM 1111 CE1 PHE A 74 61.052 -6.300 8.221 1.00 0.00 C ATOM 1112 CE2 PHE A 74 63.311 -6.377 9.098 1.00 0.00 C ATOM 1113 CZ PHE A 74 61.936 -6.210 9.302 1.00 0.00 C ATOM 0 H PHE A 74 64.522 -6.941 3.209 1.00 0.00 H new ATOM 0 HA PHE A 74 62.175 -5.603 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 74 62.942 -7.866 4.915 1.00 0.00 H new ATOM 0 HB3 PHE A 74 64.510 -7.243 5.390 1.00 0.00 H new ATOM 0 HD1 PHE A 74 60.860 -6.626 6.102 1.00 0.00 H new ATOM 0 HD2 PHE A 74 64.862 -6.762 7.656 1.00 0.00 H new ATOM 0 HE1 PHE A 74 59.991 -6.171 8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 74 63.993 -6.307 9.932 1.00 0.00 H new ATOM 0 HZ PHE A 74 61.558 -6.012 10.294 1.00 0.00 H new ATOM 1123 N ASP A 75 65.040 -4.431 5.375 1.00 0.00 N ATOM 1124 CA ASP A 75 65.623 -3.225 6.042 1.00 0.00 C ATOM 1125 C ASP A 75 65.395 -1.970 5.188 1.00 0.00 C ATOM 1126 O ASP A 75 64.964 -0.947 5.687 1.00 0.00 O ATOM 1127 CB ASP A 75 67.117 -3.533 6.173 1.00 0.00 C ATOM 1128 CG ASP A 75 67.416 -4.016 7.594 1.00 0.00 C ATOM 1129 OD1 ASP A 75 66.969 -5.098 7.938 1.00 0.00 O ATOM 1130 OD2 ASP A 75 68.086 -3.294 8.314 1.00 0.00 O ATOM 0 H ASP A 75 65.714 -5.159 5.138 1.00 0.00 H new ATOM 0 HA ASP A 75 65.161 -3.025 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 75 67.407 -4.295 5.450 1.00 0.00 H new ATOM 0 HB3 ASP A 75 67.704 -2.642 5.949 1.00 0.00 H new ATOM 1135 N GLU A 76 65.673 -2.040 3.907 1.00 0.00 N ATOM 1136 CA GLU A 76 65.461 -0.848 3.023 1.00 0.00 C ATOM 1137 C GLU A 76 63.968 -0.477 2.970 1.00 0.00 C ATOM 1138 O GLU A 76 63.614 0.682 2.877 1.00 0.00 O ATOM 1139 CB GLU A 76 65.969 -1.273 1.641 1.00 0.00 C ATOM 1140 CG GLU A 76 67.455 -0.912 1.515 1.00 0.00 C ATOM 1141 CD GLU A 76 68.030 -1.494 0.220 1.00 0.00 C ATOM 1142 OE1 GLU A 76 68.150 -2.705 0.132 1.00 0.00 O ATOM 1143 OE2 GLU A 76 68.350 -0.720 -0.663 1.00 0.00 O ATOM 0 H GLU A 76 66.037 -2.869 3.436 1.00 0.00 H new ATOM 0 HA GLU A 76 65.988 0.033 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 76 65.830 -2.345 1.504 1.00 0.00 H new ATOM 0 HB3 GLU A 76 65.394 -0.775 0.860 1.00 0.00 H new ATOM 0 HG2 GLU A 76 67.576 0.171 1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 76 68.005 -1.299 2.373 1.00 0.00 H new ATOM 1150 N PHE A 77 63.092 -1.451 3.041 1.00 0.00 N ATOM 1151 CA PHE A 77 61.626 -1.151 3.009 1.00 0.00 C ATOM 1152 C PHE A 77 61.169 -0.611 4.374 1.00 0.00 C ATOM 1153 O PHE A 77 60.456 0.373 4.451 1.00 0.00 O ATOM 1154 CB PHE A 77 60.950 -2.496 2.695 1.00 0.00 C ATOM 1155 CG PHE A 77 59.476 -2.428 3.028 1.00 0.00 C ATOM 1156 CD1 PHE A 77 58.606 -1.685 2.221 1.00 0.00 C ATOM 1157 CD2 PHE A 77 58.982 -3.113 4.144 1.00 0.00 C ATOM 1158 CE1 PHE A 77 57.243 -1.626 2.533 1.00 0.00 C ATOM 1159 CE2 PHE A 77 57.619 -3.053 4.457 1.00 0.00 C ATOM 1160 CZ PHE A 77 56.749 -2.311 3.650 1.00 0.00 C ATOM 0 H PHE A 77 63.329 -2.440 3.120 1.00 0.00 H new ATOM 0 HA PHE A 77 61.372 -0.392 2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 77 61.082 -2.741 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 77 61.424 -3.293 3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 77 58.986 -1.158 1.359 1.00 0.00 H new ATOM 0 HD2 PHE A 77 59.653 -3.688 4.764 1.00 0.00 H new ATOM 0 HE1 PHE A 77 56.572 -1.052 1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 77 57.239 -3.579 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 77 55.697 -2.267 3.889 1.00 0.00 H new ATOM 1170 N LEU A 78 61.574 -1.248 5.447 1.00 0.00 N ATOM 1171 CA LEU A 78 61.159 -0.774 6.806 1.00 0.00 C ATOM 1172 C LEU A 78 61.782 0.603 7.109 1.00 0.00 C ATOM 1173 O LEU A 78 61.152 1.445 7.719 1.00 0.00 O ATOM 1174 CB LEU A 78 61.626 -1.875 7.786 1.00 0.00 C ATOM 1175 CG LEU A 78 62.674 -1.347 8.766 1.00 0.00 C ATOM 1176 CD1 LEU A 78 61.967 -0.622 9.908 1.00 0.00 C ATOM 1177 CD2 LEU A 78 63.474 -2.523 9.331 1.00 0.00 C ATOM 0 H LEU A 78 62.173 -2.074 5.441 1.00 0.00 H new ATOM 0 HA LEU A 78 60.082 -0.626 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 78 60.769 -2.258 8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 78 62.041 -2.711 7.224 1.00 0.00 H new ATOM 0 HG LEU A 78 63.347 -0.660 8.254 1.00 0.00 H new ATOM 0 HD11 LEU A 78 62.708 -0.242 10.612 1.00 0.00 H new ATOM 0 HD12 LEU A 78 61.387 0.210 9.507 1.00 0.00 H new ATOM 0 HD13 LEU A 78 61.300 -1.315 10.422 1.00 0.00 H new ATOM 0 HD21 LEU A 78 64.223 -2.151 10.030 1.00 0.00 H new ATOM 0 HD22 LEU A 78 62.801 -3.206 9.849 1.00 0.00 H new ATOM 0 HD23 LEU A 78 63.969 -3.051 8.516 1.00 0.00 H new ATOM 1189 N VAL A 79 62.997 0.853 6.670 1.00 0.00 N ATOM 1190 CA VAL A 79 63.612 2.196 6.927 1.00 0.00 C ATOM 1191 C VAL A 79 62.919 3.246 6.046 1.00 0.00 C ATOM 1192 O VAL A 79 62.733 4.380 6.448 1.00 0.00 O ATOM 1193 CB VAL A 79 65.106 2.063 6.580 1.00 0.00 C ATOM 1194 CG1 VAL A 79 65.318 2.100 5.063 1.00 0.00 C ATOM 1195 CG2 VAL A 79 65.871 3.224 7.221 1.00 0.00 C ATOM 0 H VAL A 79 63.580 0.195 6.153 1.00 0.00 H new ATOM 0 HA VAL A 79 63.496 2.515 7.963 1.00 0.00 H new ATOM 0 HB VAL A 79 65.471 1.109 6.960 1.00 0.00 H new ATOM 0 HG11 VAL A 79 66.381 2.004 4.842 1.00 0.00 H new ATOM 0 HG12 VAL A 79 64.775 1.276 4.600 1.00 0.00 H new ATOM 0 HG13 VAL A 79 64.949 3.046 4.667 1.00 0.00 H new ATOM 0 HG21 VAL A 79 66.931 3.138 6.981 1.00 0.00 H new ATOM 0 HG22 VAL A 79 65.487 4.169 6.837 1.00 0.00 H new ATOM 0 HG23 VAL A 79 65.741 3.192 8.303 1.00 0.00 H new ATOM 1205 N MET A 80 62.508 2.861 4.856 1.00 0.00 N ATOM 1206 CA MET A 80 61.793 3.815 3.953 1.00 0.00 C ATOM 1207 C MET A 80 60.496 4.277 4.632 1.00 0.00 C ATOM 1208 O MET A 80 60.072 5.406 4.477 1.00 0.00 O ATOM 1209 CB MET A 80 61.494 3.008 2.684 1.00 0.00 C ATOM 1210 CG MET A 80 60.575 3.808 1.756 1.00 0.00 C ATOM 1211 SD MET A 80 60.090 2.771 0.354 1.00 0.00 S ATOM 1212 CE MET A 80 59.037 1.615 1.266 1.00 0.00 C ATOM 0 H MET A 80 62.639 1.924 4.474 1.00 0.00 H new ATOM 0 HA MET A 80 62.375 4.709 3.727 1.00 0.00 H new ATOM 0 HB2 MET A 80 62.424 2.768 2.169 1.00 0.00 H new ATOM 0 HB3 MET A 80 61.022 2.062 2.948 1.00 0.00 H new ATOM 0 HG2 MET A 80 59.691 4.141 2.300 1.00 0.00 H new ATOM 0 HG3 MET A 80 61.087 4.703 1.401 1.00 0.00 H new ATOM 0 HE1 MET A 80 58.398 1.075 0.567 1.00 0.00 H new ATOM 0 HE2 MET A 80 59.661 0.905 1.809 1.00 0.00 H new ATOM 0 HE3 MET A 80 58.417 2.167 1.972 1.00 0.00 H new ATOM 1222 N MET A 81 59.879 3.408 5.400 1.00 0.00 N ATOM 1223 CA MET A 81 58.624 3.789 6.116 1.00 0.00 C ATOM 1224 C MET A 81 58.923 4.920 7.110 1.00 0.00 C ATOM 1225 O MET A 81 58.179 5.877 7.207 1.00 0.00 O ATOM 1226 CB MET A 81 58.181 2.524 6.854 1.00 0.00 C ATOM 1227 CG MET A 81 57.590 1.529 5.854 1.00 0.00 C ATOM 1228 SD MET A 81 55.863 1.958 5.524 1.00 0.00 S ATOM 1229 CE MET A 81 55.719 1.099 3.941 1.00 0.00 C ATOM 0 H MET A 81 60.193 2.451 5.560 1.00 0.00 H new ATOM 0 HA MET A 81 57.849 4.148 5.439 1.00 0.00 H new ATOM 0 HB2 MET A 81 59.030 2.076 7.370 1.00 0.00 H new ATOM 0 HB3 MET A 81 57.441 2.774 7.614 1.00 0.00 H new ATOM 0 HG2 MET A 81 58.163 1.545 4.927 1.00 0.00 H new ATOM 0 HG3 MET A 81 57.655 0.516 6.251 1.00 0.00 H new ATOM 0 HE1 MET A 81 55.036 1.646 3.291 1.00 0.00 H new ATOM 0 HE2 MET A 81 56.700 1.039 3.469 1.00 0.00 H new ATOM 0 HE3 MET A 81 55.334 0.093 4.107 1.00 0.00 H new ATOM 1239 N VAL A 82 60.022 4.827 7.831 1.00 0.00 N ATOM 1240 CA VAL A 82 60.383 5.913 8.801 1.00 0.00 C ATOM 1241 C VAL A 82 60.566 7.234 8.041 1.00 0.00 C ATOM 1242 O VAL A 82 60.158 8.284 8.501 1.00 0.00 O ATOM 1243 CB VAL A 82 61.699 5.474 9.463 1.00 0.00 C ATOM 1244 CG1 VAL A 82 62.231 6.605 10.348 1.00 0.00 C ATOM 1245 CG2 VAL A 82 61.455 4.233 10.327 1.00 0.00 C ATOM 0 H VAL A 82 60.680 4.049 7.788 1.00 0.00 H new ATOM 0 HA VAL A 82 59.608 6.070 9.551 1.00 0.00 H new ATOM 0 HB VAL A 82 62.428 5.241 8.687 1.00 0.00 H new ATOM 0 HG11 VAL A 82 63.164 6.292 10.817 1.00 0.00 H new ATOM 0 HG12 VAL A 82 62.410 7.490 9.738 1.00 0.00 H new ATOM 0 HG13 VAL A 82 61.498 6.839 11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 82 62.390 3.925 10.794 1.00 0.00 H new ATOM 0 HG22 VAL A 82 60.723 4.466 11.100 1.00 0.00 H new ATOM 0 HG23 VAL A 82 61.078 3.423 9.702 1.00 0.00 H new ATOM 1255 N ARG A 83 61.154 7.184 6.866 1.00 0.00 N ATOM 1256 CA ARG A 83 61.335 8.434 6.060 1.00 0.00 C ATOM 1257 C ARG A 83 59.957 9.013 5.700 1.00 0.00 C ATOM 1258 O ARG A 83 59.763 10.213 5.689 1.00 0.00 O ATOM 1259 CB ARG A 83 62.080 8.006 4.790 1.00 0.00 C ATOM 1260 CG ARG A 83 63.545 7.699 5.119 1.00 0.00 C ATOM 1261 CD ARG A 83 64.220 7.054 3.902 1.00 0.00 C ATOM 1262 NE ARG A 83 64.852 8.188 3.164 1.00 0.00 N ATOM 1263 CZ ARG A 83 64.587 8.383 1.901 1.00 0.00 C ATOM 1264 NH1 ARG A 83 63.431 8.866 1.545 1.00 0.00 N ATOM 1265 NH2 ARG A 83 65.482 8.105 0.997 1.00 0.00 N ATOM 0 H ARG A 83 61.515 6.334 6.433 1.00 0.00 H new ATOM 0 HA ARG A 83 61.887 9.200 6.605 1.00 0.00 H new ATOM 0 HB2 ARG A 83 61.604 7.126 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 83 62.025 8.797 4.042 1.00 0.00 H new ATOM 0 HG2 ARG A 83 64.067 8.616 5.394 1.00 0.00 H new ATOM 0 HG3 ARG A 83 63.603 7.030 5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 83 64.964 6.318 4.207 1.00 0.00 H new ATOM 0 HD3 ARG A 83 63.494 6.533 3.278 1.00 0.00 H new ATOM 0 HE ARG A 83 65.494 8.814 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 83 62.733 9.092 2.253 1.00 0.00 H new ATOM 0 HH12 ARG A 83 63.224 9.018 0.558 1.00 0.00 H new ATOM 0 HH21 ARG A 83 66.391 7.735 1.276 1.00 0.00 H new ATOM 0 HH22 ARG A 83 65.274 8.258 0.010 1.00 0.00 H new ATOM 1279 N CYS A 84 58.999 8.159 5.422 1.00 0.00 N ATOM 1280 CA CYS A 84 57.625 8.642 5.079 1.00 0.00 C ATOM 1281 C CYS A 84 56.863 9.033 6.355 1.00 0.00 C ATOM 1282 O CYS A 84 55.962 9.850 6.317 1.00 0.00 O ATOM 1283 CB CYS A 84 56.946 7.460 4.384 1.00 0.00 C ATOM 1284 SG CYS A 84 57.653 7.251 2.732 1.00 0.00 S ATOM 0 H CYS A 84 59.112 7.145 5.418 1.00 0.00 H new ATOM 0 HA CYS A 84 57.647 9.526 4.442 1.00 0.00 H new ATOM 0 HB2 CYS A 84 57.085 6.551 4.969 1.00 0.00 H new ATOM 0 HB3 CYS A 84 55.872 7.633 4.313 1.00 0.00 H new ATOM 0 HG CYS A 84 58.187 6.070 2.635 1.00 0.00 H new ATOM 1290 N MET A 85 57.226 8.470 7.485 1.00 0.00 N ATOM 1291 CA MET A 85 56.534 8.824 8.767 1.00 0.00 C ATOM 1292 C MET A 85 57.089 10.156 9.306 1.00 0.00 C ATOM 1293 O MET A 85 57.495 10.255 10.449 1.00 0.00 O ATOM 1294 CB MET A 85 56.863 7.673 9.730 1.00 0.00 C ATOM 1295 CG MET A 85 55.751 6.620 9.689 1.00 0.00 C ATOM 1296 SD MET A 85 56.480 4.963 9.768 1.00 0.00 S ATOM 1297 CE MET A 85 57.326 5.150 11.359 1.00 0.00 C ATOM 0 H MET A 85 57.972 7.780 7.574 1.00 0.00 H new ATOM 0 HA MET A 85 55.459 8.949 8.641 1.00 0.00 H new ATOM 0 HB2 MET A 85 57.815 7.219 9.455 1.00 0.00 H new ATOM 0 HB3 MET A 85 56.974 8.057 10.744 1.00 0.00 H new ATOM 0 HG2 MET A 85 55.066 6.767 10.524 1.00 0.00 H new ATOM 0 HG3 MET A 85 55.167 6.728 8.775 1.00 0.00 H new ATOM 0 HE1 MET A 85 57.636 4.171 11.723 1.00 0.00 H new ATOM 0 HE2 MET A 85 58.203 5.785 11.232 1.00 0.00 H new ATOM 0 HE3 MET A 85 56.648 5.607 12.080 1.00 0.00 H new ATOM 1307 N LYS A 86 57.114 11.178 8.483 1.00 0.00 N ATOM 1308 CA LYS A 86 57.648 12.500 8.927 1.00 0.00 C ATOM 1309 C LYS A 86 57.240 13.591 7.928 1.00 0.00 C ATOM 1310 O LYS A 86 57.439 13.456 6.735 1.00 0.00 O ATOM 1311 CB LYS A 86 59.170 12.315 8.944 1.00 0.00 C ATOM 1312 CG LYS A 86 59.841 13.582 9.477 1.00 0.00 C ATOM 1313 CD LYS A 86 60.701 14.213 8.378 1.00 0.00 C ATOM 1314 CE LYS A 86 59.969 15.420 7.783 1.00 0.00 C ATOM 1315 NZ LYS A 86 60.936 16.550 7.876 1.00 0.00 N ATOM 0 H LYS A 86 56.785 11.150 7.518 1.00 0.00 H new ATOM 0 HA LYS A 86 57.265 12.806 9.900 1.00 0.00 H new ATOM 0 HB2 LYS A 86 59.435 11.462 9.569 1.00 0.00 H new ATOM 0 HB3 LYS A 86 59.530 12.097 7.939 1.00 0.00 H new ATOM 0 HG2 LYS A 86 59.085 14.292 9.813 1.00 0.00 H new ATOM 0 HG3 LYS A 86 60.459 13.341 10.342 1.00 0.00 H new ATOM 0 HD2 LYS A 86 61.662 14.523 8.788 1.00 0.00 H new ATOM 0 HD3 LYS A 86 60.908 13.480 7.598 1.00 0.00 H new ATOM 0 HE2 LYS A 86 59.679 15.234 6.749 1.00 0.00 H new ATOM 0 HE3 LYS A 86 59.055 15.638 8.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 60.416 17.442 8.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 61.569 16.400 8.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 61.499 16.598 7.003 1.00 0.00 H new ATOM 1329 N ASP A 87 56.663 14.664 8.407 1.00 0.00 N ATOM 1330 CA ASP A 87 56.230 15.761 7.488 1.00 0.00 C ATOM 1331 C ASP A 87 57.061 17.033 7.718 1.00 0.00 C ATOM 1332 O ASP A 87 57.750 17.496 6.829 1.00 0.00 O ATOM 1333 CB ASP A 87 54.755 15.997 7.834 1.00 0.00 C ATOM 1334 CG ASP A 87 53.944 16.141 6.546 1.00 0.00 C ATOM 1335 OD1 ASP A 87 53.860 15.172 5.811 1.00 0.00 O ATOM 1336 OD2 ASP A 87 53.419 17.216 6.317 1.00 0.00 O ATOM 0 H ASP A 87 56.473 14.828 9.396 1.00 0.00 H new ATOM 0 HA ASP A 87 56.369 15.498 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 87 54.372 15.166 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 87 54.653 16.895 8.443 1.00 0.00 H new ATOM 1341 N ASP A 88 57.001 17.603 8.898 1.00 0.00 N ATOM 1342 CA ASP A 88 57.787 18.848 9.177 1.00 0.00 C ATOM 1343 C ASP A 88 59.138 18.502 9.821 1.00 0.00 C ATOM 1344 O ASP A 88 60.185 18.763 9.256 1.00 0.00 O ATOM 1345 CB ASP A 88 56.910 19.661 10.138 1.00 0.00 C ATOM 1346 CG ASP A 88 57.682 20.888 10.632 1.00 0.00 C ATOM 1347 OD1 ASP A 88 57.784 21.842 9.878 1.00 0.00 O ATOM 1348 OD2 ASP A 88 58.156 20.850 11.755 1.00 0.00 O ATOM 0 H ASP A 88 56.442 17.261 9.680 1.00 0.00 H new ATOM 0 HA ASP A 88 58.016 19.404 8.268 1.00 0.00 H new ATOM 0 HB2 ASP A 88 55.996 19.974 9.634 1.00 0.00 H new ATOM 0 HB3 ASP A 88 56.612 19.042 10.984 1.00 0.00 H new ATOM 1353 N SER A 89 59.122 17.918 10.992 1.00 0.00 N ATOM 1354 CA SER A 89 60.403 17.554 11.672 1.00 0.00 C ATOM 1355 C SER A 89 60.659 16.048 11.550 1.00 0.00 C ATOM 1356 O SER A 89 61.678 15.688 10.984 1.00 0.00 O ATOM 1357 CB SER A 89 60.206 17.957 13.137 1.00 0.00 C ATOM 1358 OG SER A 89 61.471 17.999 13.788 1.00 0.00 O ATOM 1359 OXT SER A 89 59.830 15.282 12.017 1.00 0.00 O ATOM 0 H SER A 89 58.276 17.677 11.508 1.00 0.00 H new ATOM 0 HA SER A 89 61.263 18.055 11.228 1.00 0.00 H new ATOM 0 HB2 SER A 89 59.721 18.932 13.196 1.00 0.00 H new ATOM 0 HB3 SER A 89 59.550 17.244 13.637 1.00 0.00 H new ATOM 0 HG SER A 89 61.348 18.258 14.725 1.00 0.00 H new TER 1365 SER A 89 ATOM 1366 N ARG B 144 60.108 9.353 -5.053 1.00 0.00 N ATOM 1367 CA ARG B 144 59.596 10.690 -4.609 1.00 0.00 C ATOM 1368 C ARG B 144 58.615 11.260 -5.647 1.00 0.00 C ATOM 1369 O ARG B 144 58.990 12.023 -6.519 1.00 0.00 O ATOM 1370 CB ARG B 144 60.833 11.598 -4.460 1.00 0.00 C ATOM 1371 CG ARG B 144 61.792 11.414 -5.644 1.00 0.00 C ATOM 1372 CD ARG B 144 62.606 12.696 -5.844 1.00 0.00 C ATOM 1373 NE ARG B 144 61.846 13.475 -6.864 1.00 0.00 N ATOM 1374 CZ ARG B 144 61.276 14.600 -6.539 1.00 0.00 C ATOM 1375 NH1 ARG B 144 61.976 15.699 -6.501 1.00 0.00 N ATOM 1376 NH2 ARG B 144 60.005 14.625 -6.256 1.00 0.00 N ATOM 0 HA ARG B 144 59.051 10.617 -3.668 1.00 0.00 H new ATOM 0 HB2 ARG B 144 60.519 12.640 -4.399 1.00 0.00 H new ATOM 0 HB3 ARG B 144 61.350 11.366 -3.529 1.00 0.00 H new ATOM 0 HG2 ARG B 144 62.459 10.572 -5.458 1.00 0.00 H new ATOM 0 HG3 ARG B 144 61.230 11.182 -6.549 1.00 0.00 H new ATOM 0 HD2 ARG B 144 62.702 13.253 -4.912 1.00 0.00 H new ATOM 0 HD3 ARG B 144 63.616 12.474 -6.188 1.00 0.00 H new ATOM 0 HE ARG B 144 61.772 13.125 -7.819 1.00 0.00 H new ATOM 0 HH11 ARG B 144 62.971 15.678 -6.726 1.00 0.00 H new ATOM 0 HH12 ARG B 144 61.529 16.580 -6.246 1.00 0.00 H new ATOM 0 HH21 ARG B 144 59.458 13.765 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG B 144 59.556 15.505 -6.001 1.00 0.00 H new ATOM 1392 N ARG B 145 57.357 10.894 -5.557 1.00 0.00 N ATOM 1393 CA ARG B 145 56.349 11.410 -6.537 1.00 0.00 C ATOM 1394 C ARG B 145 54.920 11.306 -5.972 1.00 0.00 C ATOM 1395 O ARG B 145 54.215 12.292 -5.873 1.00 0.00 O ATOM 1396 CB ARG B 145 56.506 10.513 -7.770 1.00 0.00 C ATOM 1397 CG ARG B 145 56.123 11.292 -9.033 1.00 0.00 C ATOM 1398 CD ARG B 145 57.363 11.994 -9.596 1.00 0.00 C ATOM 1399 NE ARG B 145 56.882 12.730 -10.802 1.00 0.00 N ATOM 1400 CZ ARG B 145 56.640 14.010 -10.738 1.00 0.00 C ATOM 1401 NH1 ARG B 145 57.604 14.865 -10.926 1.00 0.00 N ATOM 1402 NH2 ARG B 145 55.434 14.429 -10.483 1.00 0.00 N ATOM 0 H ARG B 145 56.986 10.261 -4.848 1.00 0.00 H new ATOM 0 HA ARG B 145 56.510 12.463 -6.766 1.00 0.00 H new ATOM 0 HB2 ARG B 145 57.535 10.162 -7.847 1.00 0.00 H new ATOM 0 HB3 ARG B 145 55.875 9.630 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG B 145 55.706 10.615 -9.778 1.00 0.00 H new ATOM 0 HG3 ARG B 145 55.351 12.025 -8.801 1.00 0.00 H new ATOM 0 HD2 ARG B 145 57.795 12.677 -8.864 1.00 0.00 H new ATOM 0 HD3 ARG B 145 58.139 11.274 -9.857 1.00 0.00 H new ATOM 0 HE ARG B 145 56.742 12.230 -11.680 1.00 0.00 H new ATOM 0 HH11 ARG B 145 58.548 14.534 -11.123 1.00 0.00 H new ATOM 0 HH12 ARG B 145 57.415 15.866 -10.876 1.00 0.00 H new ATOM 0 HH21 ARG B 145 54.681 13.757 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG B 145 55.242 15.429 -10.432 1.00 0.00 H new ATOM 1416 N VAL B 146 54.483 10.118 -5.623 1.00 0.00 N ATOM 1417 CA VAL B 146 53.086 9.947 -5.089 1.00 0.00 C ATOM 1418 C VAL B 146 52.966 10.389 -3.618 1.00 0.00 C ATOM 1419 O VAL B 146 51.870 10.549 -3.111 1.00 0.00 O ATOM 1420 CB VAL B 146 52.762 8.450 -5.222 1.00 0.00 C ATOM 1421 CG1 VAL B 146 52.877 8.018 -6.688 1.00 0.00 C ATOM 1422 CG2 VAL B 146 53.727 7.616 -4.368 1.00 0.00 C ATOM 0 H VAL B 146 55.030 9.259 -5.683 1.00 0.00 H new ATOM 0 HA VAL B 146 52.389 10.571 -5.648 1.00 0.00 H new ATOM 0 HB VAL B 146 51.743 8.285 -4.872 1.00 0.00 H new ATOM 0 HG11 VAL B 146 52.646 6.956 -6.774 1.00 0.00 H new ATOM 0 HG12 VAL B 146 52.175 8.592 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL B 146 53.892 8.198 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL B 146 53.485 6.558 -4.473 1.00 0.00 H new ATOM 0 HG22 VAL B 146 54.750 7.789 -4.702 1.00 0.00 H new ATOM 0 HG23 VAL B 146 53.632 7.908 -3.322 1.00 0.00 H new ATOM 1432 N ARG B 147 54.069 10.583 -2.929 1.00 0.00 N ATOM 1433 CA ARG B 147 54.012 11.012 -1.489 1.00 0.00 C ATOM 1434 C ARG B 147 53.189 10.015 -0.646 1.00 0.00 C ATOM 1435 O ARG B 147 52.429 10.401 0.223 1.00 0.00 O ATOM 1436 CB ARG B 147 53.347 12.395 -1.514 1.00 0.00 C ATOM 1437 CG ARG B 147 53.857 13.235 -0.340 1.00 0.00 C ATOM 1438 CD ARG B 147 52.701 13.531 0.618 1.00 0.00 C ATOM 1439 NE ARG B 147 53.100 12.894 1.906 1.00 0.00 N ATOM 1440 CZ ARG B 147 53.392 13.634 2.937 1.00 0.00 C ATOM 1441 NH1 ARG B 147 52.440 14.095 3.695 1.00 0.00 N ATOM 1442 NH2 ARG B 147 54.634 13.913 3.209 1.00 0.00 N ATOM 0 H ARG B 147 55.010 10.462 -3.303 1.00 0.00 H new ATOM 0 HA ARG B 147 55.002 11.044 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG B 147 53.567 12.898 -2.456 1.00 0.00 H new ATOM 0 HB3 ARG B 147 52.264 12.289 -1.454 1.00 0.00 H new ATOM 0 HG2 ARG B 147 54.650 12.702 0.184 1.00 0.00 H new ATOM 0 HG3 ARG B 147 54.287 14.167 -0.706 1.00 0.00 H new ATOM 0 HD2 ARG B 147 52.551 14.604 0.737 1.00 0.00 H new ATOM 0 HD3 ARG B 147 51.763 13.118 0.246 1.00 0.00 H new ATOM 0 HE ARG B 147 53.144 11.878 1.979 1.00 0.00 H new ATOM 0 HH11 ARG B 147 51.467 13.877 3.481 1.00 0.00 H new ATOM 0 HH12 ARG B 147 52.667 14.675 4.503 1.00 0.00 H new ATOM 0 HH21 ARG B 147 55.380 13.552 2.614 1.00 0.00 H new ATOM 0 HH22 ARG B 147 54.861 14.493 4.017 1.00 0.00 H new ATOM 1456 N ILE B 148 53.345 8.736 -0.896 1.00 0.00 N ATOM 1457 CA ILE B 148 52.581 7.709 -0.113 1.00 0.00 C ATOM 1458 C ILE B 148 53.228 7.512 1.272 1.00 0.00 C ATOM 1459 O ILE B 148 54.435 7.435 1.399 1.00 0.00 O ATOM 1460 CB ILE B 148 52.644 6.434 -0.981 1.00 0.00 C ATOM 1461 CG1 ILE B 148 51.319 6.280 -1.736 1.00 0.00 C ATOM 1462 CG2 ILE B 148 52.883 5.180 -0.126 1.00 0.00 C ATOM 1463 CD1 ILE B 148 51.549 5.494 -3.028 1.00 0.00 C ATOM 0 H ILE B 148 53.969 8.358 -1.609 1.00 0.00 H new ATOM 0 HA ILE B 148 51.548 7.996 0.085 1.00 0.00 H new ATOM 0 HB ILE B 148 53.477 6.535 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE B 148 50.591 5.764 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE B 148 50.904 7.261 -1.965 1.00 0.00 H new ATOM 0 HG21 ILE B 148 52.921 4.302 -0.771 1.00 0.00 H new ATOM 0 HG22 ILE B 148 53.827 5.279 0.409 1.00 0.00 H new ATOM 0 HG23 ILE B 148 52.070 5.068 0.591 1.00 0.00 H new ATOM 0 HD11 ILE B 148 50.605 5.387 -3.562 1.00 0.00 H new ATOM 0 HD12 ILE B 148 52.262 6.027 -3.656 1.00 0.00 H new ATOM 0 HD13 ILE B 148 51.944 4.507 -2.788 1.00 0.00 H new ATOM 1475 N SER B 149 52.429 7.447 2.312 1.00 0.00 N ATOM 1476 CA SER B 149 52.995 7.273 3.690 1.00 0.00 C ATOM 1477 C SER B 149 52.741 5.852 4.219 1.00 0.00 C ATOM 1478 O SER B 149 52.038 5.066 3.610 1.00 0.00 O ATOM 1479 CB SER B 149 52.268 8.308 4.554 1.00 0.00 C ATOM 1480 OG SER B 149 52.690 8.175 5.906 1.00 0.00 O ATOM 0 H SER B 149 51.412 7.507 2.267 1.00 0.00 H new ATOM 0 HA SER B 149 54.076 7.414 3.701 1.00 0.00 H new ATOM 0 HB2 SER B 149 52.481 9.314 4.192 1.00 0.00 H new ATOM 0 HB3 SER B 149 51.190 8.165 4.482 1.00 0.00 H new ATOM 0 HG SER B 149 51.950 7.827 6.447 1.00 0.00 H new ATOM 1486 N ALA B 150 53.318 5.527 5.353 1.00 0.00 N ATOM 1487 CA ALA B 150 53.137 4.164 5.951 1.00 0.00 C ATOM 1488 C ALA B 150 51.647 3.839 6.146 1.00 0.00 C ATOM 1489 O ALA B 150 51.180 2.794 5.736 1.00 0.00 O ATOM 1490 CB ALA B 150 53.858 4.225 7.303 1.00 0.00 C ATOM 0 H ALA B 150 53.912 6.154 5.895 1.00 0.00 H new ATOM 0 HA ALA B 150 53.538 3.383 5.305 1.00 0.00 H new ATOM 0 HB1 ALA B 150 53.771 3.262 7.805 1.00 0.00 H new ATOM 0 HB2 ALA B 150 54.911 4.458 7.144 1.00 0.00 H new ATOM 0 HB3 ALA B 150 53.405 4.999 7.922 1.00 0.00 H new ATOM 1496 N ASP B 151 50.902 4.724 6.767 1.00 0.00 N ATOM 1497 CA ASP B 151 49.440 4.466 6.986 1.00 0.00 C ATOM 1498 C ASP B 151 48.726 4.209 5.646 1.00 0.00 C ATOM 1499 O ASP B 151 47.842 3.374 5.559 1.00 0.00 O ATOM 1500 CB ASP B 151 48.894 5.733 7.667 1.00 0.00 C ATOM 1501 CG ASP B 151 49.194 6.972 6.817 1.00 0.00 C ATOM 1502 OD1 ASP B 151 50.268 7.525 6.973 1.00 0.00 O ATOM 1503 OD2 ASP B 151 48.343 7.345 6.027 1.00 0.00 O ATOM 0 H ASP B 151 51.242 5.614 7.132 1.00 0.00 H new ATOM 0 HA ASP B 151 49.274 3.580 7.599 1.00 0.00 H new ATOM 0 HB2 ASP B 151 47.818 5.638 7.815 1.00 0.00 H new ATOM 0 HB3 ASP B 151 49.343 5.845 8.654 1.00 0.00 H new ATOM 1508 N ALA B 152 49.111 4.906 4.603 1.00 0.00 N ATOM 1509 CA ALA B 152 48.467 4.691 3.271 1.00 0.00 C ATOM 1510 C ALA B 152 48.885 3.327 2.711 1.00 0.00 C ATOM 1511 O ALA B 152 48.066 2.570 2.227 1.00 0.00 O ATOM 1512 CB ALA B 152 48.985 5.826 2.382 1.00 0.00 C ATOM 0 H ALA B 152 49.844 5.615 4.618 1.00 0.00 H new ATOM 0 HA ALA B 152 47.379 4.697 3.328 1.00 0.00 H new ATOM 0 HB1 ALA B 152 48.554 5.733 1.385 1.00 0.00 H new ATOM 0 HB2 ALA B 152 48.699 6.785 2.813 1.00 0.00 H new ATOM 0 HB3 ALA B 152 50.071 5.768 2.314 1.00 0.00 H new ATOM 1518 N MET B 153 50.155 3.008 2.788 1.00 0.00 N ATOM 1519 CA MET B 153 50.635 1.687 2.275 1.00 0.00 C ATOM 1520 C MET B 153 49.987 0.544 3.070 1.00 0.00 C ATOM 1521 O MET B 153 49.587 -0.458 2.509 1.00 0.00 O ATOM 1522 CB MET B 153 52.155 1.695 2.479 1.00 0.00 C ATOM 1523 CG MET B 153 52.854 1.840 1.126 1.00 0.00 C ATOM 1524 SD MET B 153 52.402 0.450 0.057 1.00 0.00 S ATOM 1525 CE MET B 153 51.642 1.420 -1.268 1.00 0.00 C ATOM 0 H MET B 153 50.880 3.606 3.184 1.00 0.00 H new ATOM 0 HA MET B 153 50.373 1.535 1.228 1.00 0.00 H new ATOM 0 HB2 MET B 153 52.439 2.517 3.136 1.00 0.00 H new ATOM 0 HB3 MET B 153 52.471 0.773 2.966 1.00 0.00 H new ATOM 0 HG2 MET B 153 52.568 2.781 0.656 1.00 0.00 H new ATOM 0 HG3 MET B 153 53.935 1.869 1.265 1.00 0.00 H new ATOM 0 HE1 MET B 153 51.071 0.760 -1.921 1.00 0.00 H new ATOM 0 HE2 MET B 153 50.976 2.167 -0.836 1.00 0.00 H new ATOM 0 HE3 MET B 153 52.420 1.918 -1.846 1.00 0.00 H new ATOM 1535 N MET B 154 49.871 0.692 4.370 1.00 0.00 N ATOM 1536 CA MET B 154 49.236 -0.384 5.198 1.00 0.00 C ATOM 1537 C MET B 154 47.777 -0.588 4.763 1.00 0.00 C ATOM 1538 O MET B 154 47.339 -1.703 4.539 1.00 0.00 O ATOM 1539 CB MET B 154 49.308 0.117 6.646 1.00 0.00 C ATOM 1540 CG MET B 154 50.757 0.062 7.141 1.00 0.00 C ATOM 1541 SD MET B 154 51.164 -1.634 7.625 1.00 0.00 S ATOM 1542 CE MET B 154 52.940 -1.551 7.289 1.00 0.00 C ATOM 0 H MET B 154 50.188 1.509 4.892 1.00 0.00 H new ATOM 0 HA MET B 154 49.740 -1.344 5.084 1.00 0.00 H new ATOM 0 HB2 MET B 154 48.932 1.138 6.707 1.00 0.00 H new ATOM 0 HB3 MET B 154 48.672 -0.496 7.285 1.00 0.00 H new ATOM 0 HG2 MET B 154 51.434 0.400 6.356 1.00 0.00 H new ATOM 0 HG3 MET B 154 50.889 0.735 7.988 1.00 0.00 H new ATOM 0 HE1 MET B 154 53.414 -2.480 7.606 1.00 0.00 H new ATOM 0 HE2 MET B 154 53.102 -1.407 6.221 1.00 0.00 H new ATOM 0 HE3 MET B 154 53.375 -0.716 7.838 1.00 0.00 H new ATOM 1552 N GLN B 155 47.026 0.481 4.627 1.00 0.00 N ATOM 1553 CA GLN B 155 45.598 0.354 4.191 1.00 0.00 C ATOM 1554 C GLN B 155 45.521 -0.106 2.724 1.00 0.00 C ATOM 1555 O GLN B 155 44.583 -0.767 2.328 1.00 0.00 O ATOM 1556 CB GLN B 155 45.000 1.758 4.341 1.00 0.00 C ATOM 1557 CG GLN B 155 44.471 1.942 5.768 1.00 0.00 C ATOM 1558 CD GLN B 155 44.126 3.416 6.004 1.00 0.00 C ATOM 1559 OE1 GLN B 155 42.979 3.760 6.199 1.00 0.00 O ATOM 1560 NE2 GLN B 155 45.078 4.308 5.995 1.00 0.00 N ATOM 0 H GLN B 155 47.341 1.436 4.799 1.00 0.00 H new ATOM 0 HA GLN B 155 45.058 -0.384 4.785 1.00 0.00 H new ATOM 0 HB2 GLN B 155 45.757 2.512 4.123 1.00 0.00 H new ATOM 0 HB3 GLN B 155 44.193 1.899 3.622 1.00 0.00 H new ATOM 0 HG2 GLN B 155 43.587 1.323 5.921 1.00 0.00 H new ATOM 0 HG3 GLN B 155 45.220 1.614 6.489 1.00 0.00 H new ATOM 0 HE21 GLN B 155 46.043 4.022 5.831 1.00 0.00 H new ATOM 0 HE22 GLN B 155 44.857 5.291 6.152 1.00 0.00 H new ATOM 1569 N ALA B 156 46.501 0.237 1.919 1.00 0.00 N ATOM 1570 CA ALA B 156 46.483 -0.184 0.481 1.00 0.00 C ATOM 1571 C ALA B 156 46.961 -1.638 0.324 1.00 0.00 C ATOM 1572 O ALA B 156 46.689 -2.277 -0.675 1.00 0.00 O ATOM 1573 CB ALA B 156 47.447 0.773 -0.227 1.00 0.00 C ATOM 0 H ALA B 156 47.312 0.790 2.196 1.00 0.00 H new ATOM 0 HA ALA B 156 45.477 -0.142 0.063 1.00 0.00 H new ATOM 0 HB1 ALA B 156 47.489 0.528 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA B 156 47.097 1.798 -0.105 1.00 0.00 H new ATOM 0 HB3 ALA B 156 48.442 0.675 0.207 1.00 0.00 H new ATOM 1579 N LEU B 157 47.676 -2.165 1.291 1.00 0.00 N ATOM 1580 CA LEU B 157 48.170 -3.574 1.181 1.00 0.00 C ATOM 1581 C LEU B 157 47.232 -4.546 1.915 1.00 0.00 C ATOM 1582 O LEU B 157 46.844 -5.564 1.375 1.00 0.00 O ATOM 1583 CB LEU B 157 49.555 -3.564 1.840 1.00 0.00 C ATOM 1584 CG LEU B 157 50.234 -4.922 1.634 1.00 0.00 C ATOM 1585 CD1 LEU B 157 50.840 -4.980 0.231 1.00 0.00 C ATOM 1586 CD2 LEU B 157 51.339 -5.104 2.680 1.00 0.00 C ATOM 0 H LEU B 157 47.938 -1.681 2.150 1.00 0.00 H new ATOM 0 HA LEU B 157 48.209 -3.908 0.144 1.00 0.00 H new ATOM 0 HB2 LEU B 157 50.167 -2.771 1.410 1.00 0.00 H new ATOM 0 HB3 LEU B 157 49.460 -3.352 2.905 1.00 0.00 H new ATOM 0 HG LEU B 157 49.498 -5.719 1.744 1.00 0.00 H new ATOM 0 HD11 LEU B 157 51.323 -5.946 0.083 1.00 0.00 H new ATOM 0 HD12 LEU B 157 50.052 -4.851 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU B 157 51.577 -4.185 0.120 1.00 0.00 H new ATOM 0 HD21 LEU B 157 51.823 -6.070 2.534 1.00 0.00 H new ATOM 0 HD22 LEU B 157 52.077 -4.309 2.572 1.00 0.00 H new ATOM 0 HD23 LEU B 157 50.905 -5.063 3.679 1.00 0.00 H new ATOM 1598 N LEU B 158 46.876 -4.251 3.143 1.00 0.00 N ATOM 1599 CA LEU B 158 45.976 -5.172 3.913 1.00 0.00 C ATOM 1600 C LEU B 158 44.507 -4.722 3.837 1.00 0.00 C ATOM 1601 O LEU B 158 43.605 -5.533 3.918 1.00 0.00 O ATOM 1602 CB LEU B 158 46.476 -5.099 5.360 1.00 0.00 C ATOM 1603 CG LEU B 158 47.719 -5.979 5.524 1.00 0.00 C ATOM 1604 CD1 LEU B 158 48.508 -5.522 6.754 1.00 0.00 C ATOM 1605 CD2 LEU B 158 47.293 -7.437 5.705 1.00 0.00 C ATOM 0 H LEU B 158 47.169 -3.413 3.646 1.00 0.00 H new ATOM 0 HA LEU B 158 46.007 -6.184 3.508 1.00 0.00 H new ATOM 0 HB2 LEU B 158 46.712 -4.067 5.621 1.00 0.00 H new ATOM 0 HB3 LEU B 158 45.693 -5.429 6.042 1.00 0.00 H new ATOM 0 HG LEU B 158 48.345 -5.892 4.636 1.00 0.00 H new ATOM 0 HD11 LEU B 158 49.393 -6.148 6.872 1.00 0.00 H new ATOM 0 HD12 LEU B 158 48.812 -4.483 6.626 1.00 0.00 H new ATOM 0 HD13 LEU B 158 47.881 -5.609 7.641 1.00 0.00 H new ATOM 0 HD21 LEU B 158 48.178 -8.063 5.822 1.00 0.00 H new ATOM 0 HD22 LEU B 158 46.666 -7.525 6.592 1.00 0.00 H new ATOM 0 HD23 LEU B 158 46.731 -7.763 4.830 1.00 0.00 H new ATOM 1617 N GLY B 159 44.258 -3.442 3.699 1.00 0.00 N ATOM 1618 CA GLY B 159 42.844 -2.950 3.637 1.00 0.00 C ATOM 1619 C GLY B 159 42.295 -3.041 2.206 1.00 0.00 C ATOM 1620 O GLY B 159 41.112 -3.242 2.006 1.00 0.00 O ATOM 0 H GLY B 159 44.972 -2.717 3.627 1.00 0.00 H new ATOM 0 HA2 GLY B 159 42.220 -3.539 4.309 1.00 0.00 H new ATOM 0 HA3 GLY B 159 42.798 -1.918 3.983 1.00 0.00 H new ATOM 1624 N ALA B 160 43.133 -2.881 1.211 1.00 0.00 N ATOM 1625 CA ALA B 160 42.644 -2.942 -0.203 1.00 0.00 C ATOM 1626 C ALA B 160 42.548 -4.397 -0.697 1.00 0.00 C ATOM 1627 O ALA B 160 43.398 -4.873 -1.426 1.00 0.00 O ATOM 1628 CB ALA B 160 43.680 -2.156 -1.009 1.00 0.00 C ATOM 0 H ALA B 160 44.133 -2.711 1.316 1.00 0.00 H new ATOM 0 HA ALA B 160 41.642 -2.526 -0.306 1.00 0.00 H new ATOM 0 HB1 ALA B 160 43.396 -2.152 -2.061 1.00 0.00 H new ATOM 0 HB2 ALA B 160 43.726 -1.131 -0.641 1.00 0.00 H new ATOM 0 HB3 ALA B 160 44.658 -2.625 -0.899 1.00 0.00 H new ATOM 1634 N ARG B 161 41.502 -5.095 -0.311 1.00 0.00 N ATOM 1635 CA ARG B 161 41.305 -6.520 -0.749 1.00 0.00 C ATOM 1636 C ARG B 161 42.597 -7.342 -0.596 1.00 0.00 C ATOM 1637 O ARG B 161 43.254 -7.674 -1.567 1.00 0.00 O ATOM 1638 CB ARG B 161 40.886 -6.435 -2.226 1.00 0.00 C ATOM 1639 CG ARG B 161 39.523 -7.111 -2.427 1.00 0.00 C ATOM 1640 CD ARG B 161 39.613 -8.604 -2.078 1.00 0.00 C ATOM 1641 NE ARG B 161 40.289 -9.247 -3.244 1.00 0.00 N ATOM 1642 CZ ARG B 161 41.123 -10.229 -3.051 1.00 0.00 C ATOM 1643 NH1 ARG B 161 42.366 -9.977 -2.763 1.00 0.00 N ATOM 1644 NH2 ARG B 161 40.714 -11.462 -3.150 1.00 0.00 N ATOM 0 H ARG B 161 40.767 -4.734 0.297 1.00 0.00 H new ATOM 0 HA ARG B 161 40.556 -7.023 -0.137 1.00 0.00 H new ATOM 0 HB2 ARG B 161 40.833 -5.392 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG B 161 41.636 -6.917 -2.853 1.00 0.00 H new ATOM 0 HG2 ARG B 161 38.774 -6.628 -1.800 1.00 0.00 H new ATOM 0 HG3 ARG B 161 39.199 -6.991 -3.461 1.00 0.00 H new ATOM 0 HD2 ARG B 161 40.181 -8.759 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG B 161 38.623 -9.029 -1.915 1.00 0.00 H new ATOM 0 HE ARG B 161 40.098 -8.918 -4.190 1.00 0.00 H new ATOM 0 HH11 ARG B 161 42.687 -9.012 -2.689 1.00 0.00 H new ATOM 0 HH12 ARG B 161 43.020 -10.745 -2.612 1.00 0.00 H new ATOM 0 HH21 ARG B 161 39.740 -11.659 -3.379 1.00 0.00 H new ATOM 0 HH22 ARG B 161 41.368 -12.230 -2.999 1.00 0.00 H new ATOM 1658 N ALA B 162 42.955 -7.688 0.613 1.00 0.00 N ATOM 1659 CA ALA B 162 44.191 -8.504 0.821 1.00 0.00 C ATOM 1660 C ALA B 162 43.841 -9.996 0.769 1.00 0.00 C ATOM 1661 O ALA B 162 42.880 -10.429 1.374 1.00 0.00 O ATOM 1662 CB ALA B 162 44.703 -8.110 2.209 1.00 0.00 C ATOM 0 H ALA B 162 42.448 -7.443 1.463 1.00 0.00 H new ATOM 0 HA ALA B 162 44.944 -8.326 0.054 1.00 0.00 H new ATOM 0 HB1 ALA B 162 45.611 -8.669 2.434 1.00 0.00 H new ATOM 0 HB2 ALA B 162 44.920 -7.042 2.227 1.00 0.00 H new ATOM 0 HB3 ALA B 162 43.942 -8.338 2.956 1.00 0.00 H new ATOM 1668 N LYS B 163 44.616 -10.772 0.038 1.00 0.00 N ATOM 1669 CA LYS B 163 44.357 -12.249 -0.089 1.00 0.00 C ATOM 1670 C LYS B 163 43.069 -12.506 -0.893 1.00 0.00 C ATOM 1671 O LYS B 163 41.994 -12.443 -0.317 1.00 0.00 O ATOM 1672 CB LYS B 163 44.242 -12.785 1.347 1.00 0.00 C ATOM 1673 CG LYS B 163 44.395 -14.310 1.340 1.00 0.00 C ATOM 1674 CD LYS B 163 43.369 -14.933 2.291 1.00 0.00 C ATOM 1675 CE LYS B 163 44.059 -15.357 3.594 1.00 0.00 C ATOM 1676 NZ LYS B 163 43.206 -14.808 4.690 1.00 0.00 N ATOM 1677 OXT LYS B 163 43.183 -12.753 -2.083 1.00 0.00 O ATOM 0 H LYS B 163 45.428 -10.439 -0.483 1.00 0.00 H new ATOM 0 HA LYS B 163 45.159 -12.754 -0.628 1.00 0.00 H new ATOM 0 HB2 LYS B 163 45.010 -12.335 1.976 1.00 0.00 H new ATOM 0 HB3 LYS B 163 43.278 -12.508 1.773 1.00 0.00 H new ATOM 0 HG2 LYS B 163 44.251 -14.695 0.331 1.00 0.00 H new ATOM 0 HG3 LYS B 163 45.404 -14.586 1.646 1.00 0.00 H new ATOM 0 HD2 LYS B 163 42.576 -14.217 2.505 1.00 0.00 H new ATOM 0 HD3 LYS B 163 42.900 -15.796 1.820 1.00 0.00 H new ATOM 0 HE2 LYS B 163 44.137 -16.442 3.663 1.00 0.00 H new ATOM 0 HE3 LYS B 163 45.073 -14.961 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS B 163 43.619 -15.060 5.611 1.00 0.00 H new ATOM 0 HZ2 LYS B 163 43.156 -13.773 4.605 1.00 0.00 H new ATOM 0 HZ3 LYS B 163 42.249 -15.208 4.618 1.00 0.00 H new TER 1691 LYS B 163 HETATM 1692 CA CA A 90 69.723 -2.565 -2.136 1.00 0.00 CA HETATM 1693 OAA SXK A 91 58.243 8.420 -3.083 1.00 20.00 O HETATM 1694 OAB SXK A 91 57.132 10.237 -2.464 1.00 20.00 O HETATM 1695 CAE SXK A 91 55.978 -0.144 -0.743 1.00 20.00 C HETATM 1696 CAF SXK A 91 56.804 5.503 -0.079 1.00 20.00 C HETATM 1697 CAG SXK A 91 55.668 5.675 -2.261 1.00 20.00 C HETATM 1698 CAH SXK A 91 56.900 4.105 -0.235 1.00 20.00 C HETATM 1699 CAI SXK A 91 55.759 4.275 -2.424 1.00 20.00 C HETATM 1700 CAJ SXK A 91 55.860 1.260 -0.606 1.00 20.00 C HETATM 1701 CAK SXK A 91 57.322 0.136 -2.771 1.00 20.00 C HETATM 1702 CAL SXK A 91 57.325 8.492 -0.864 1.00 20.00 C HETATM 1703 OAM SXK A 91 56.158 7.637 -0.819 1.00 20.00 O HETATM 1704 CAN SXK A 91 57.590 9.096 -2.251 1.00 20.00 C HETATM 1705 CAO SXK A 91 56.705 -0.686 -1.822 1.00 20.00 C HETATM 1706 CAP SXK A 91 56.186 6.288 -1.094 1.00 20.00 C HETATM 1707 CAQ SXK A 91 57.210 1.541 -2.641 1.00 20.00 C HETATM 1708 CAR SXK A 91 56.378 3.489 -1.408 1.00 20.00 C HETATM 1709 CAS SXK A 91 56.479 2.096 -1.554 1.00 20.00 C HETATM 1710 FCC SXK A 91 56.808 -2.036 -1.939 1.00 20.00 F HETATM 1711 FDD SXK A 91 57.820 2.325 -3.583 1.00 20.00 F HETATM 0 HOAB SXK A 91 57.247 10.791 -1.664 1.00 20.00 H new HETATM 0 HALA SXK A 91 57.202 9.300 -0.142 1.00 20.00 H new HETATM 0 HAL SXK A 91 58.198 7.918 -0.554 1.00 20.00 H new HETATM 0 HAK SXK A 91 57.881 -0.299 -3.599 1.00 20.00 H new HETATM 0 HAJ SXK A 91 55.297 1.688 0.223 1.00 20.00 H new HETATM 0 HAI SXK A 91 55.359 3.799 -3.319 1.00 20.00 H new HETATM 0 HAH SXK A 91 57.371 3.499 0.538 1.00 20.00 H new HETATM 0 HAG SXK A 91 55.199 6.284 -3.034 1.00 20.00 H new HETATM 0 HAF SXK A 91 57.202 5.982 0.816 1.00 20.00 H new HETATM 0 HAE SXK A 91 55.507 -0.805 -0.015 1.00 20.00 H new