USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 666 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 142:sc= -0.41 (180deg=-2.32!) USER MOD Single : A 1 MET N :NH3+ -108:sc= 0.0322 (180deg=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= -0.158 K(o=-0.16,f=-0.76) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0.114 USER MOD Single : A 16 GLN : amide:sc= -0.219 K(o=-0.22,f=-1) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.58) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 68:sc= -4.3! USER MOD Single : A 37 SER OG : rot 57:sc= 0.0365 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.00773 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl -126:sc= -1.42 (180deg=-2.86!) USER MOD Single : A 47 MET CE :methyl -125:sc= -0.135 (180deg=-0.942) USER MOD Single : A 50 GLN : amide:sc= -0.792 X(o=-0.79,f=-1.2!) USER MOD Single : A 51 ASN : amide:sc= -2.77 K(o=-2.8,f=-5.5!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.85! USER MOD Single : A 58 GLN :FLIP amide:sc= -0.794 F(o=-2.5!,f=-0.79) USER MOD Single : A 60 MET CE :methyl 161:sc= -0.315 (180deg=-1.79!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -82:sc= 0.965 USER MOD Single : A 80 MET CE :methyl 164:sc= -2.71! (180deg=-3.34!) USER MOD Single : A 81 MET CE :methyl -109:sc= -2.3! (180deg=-3.32!) USER MOD Single : A 84 CYS SG : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 156:sc= -0.0561 (180deg=-0.706) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 89.922 8.482 3.362 1.00 0.00 N ATOM 2 CA MET A 1 89.967 6.999 3.205 1.00 0.00 C ATOM 3 C MET A 1 89.049 6.561 2.060 1.00 0.00 C ATOM 4 O MET A 1 88.055 7.196 1.771 1.00 0.00 O ATOM 5 CB MET A 1 89.464 6.446 4.539 1.00 0.00 C ATOM 6 CG MET A 1 90.597 6.484 5.566 1.00 0.00 C ATOM 7 SD MET A 1 90.245 5.307 6.895 1.00 0.00 S ATOM 8 CE MET A 1 90.299 3.805 5.887 1.00 0.00 C ATOM 0 H1 MET A 1 90.817 8.894 3.028 1.00 0.00 H new ATOM 0 H2 MET A 1 89.134 8.866 2.803 1.00 0.00 H new ATOM 0 H3 MET A 1 89.784 8.721 4.365 1.00 0.00 H new ATOM 0 HA MET A 1 90.967 6.638 2.965 1.00 0.00 H new ATOM 0 HB2 MET A 1 88.618 7.035 4.893 1.00 0.00 H new ATOM 0 HB3 MET A 1 89.109 5.423 4.411 1.00 0.00 H new ATOM 0 HG2 MET A 1 91.545 6.236 5.088 1.00 0.00 H new ATOM 0 HG3 MET A 1 90.699 7.490 5.974 1.00 0.00 H new ATOM 0 HE1 MET A 1 90.768 3.002 6.456 1.00 0.00 H new ATOM 0 HE2 MET A 1 89.285 3.513 5.615 1.00 0.00 H new ATOM 0 HE3 MET A 1 90.877 3.994 4.983 1.00 0.00 H new ATOM 20 N ASP A 2 89.376 5.479 1.407 1.00 0.00 N ATOM 21 CA ASP A 2 88.521 5.003 0.280 1.00 0.00 C ATOM 22 C ASP A 2 87.077 4.817 0.754 1.00 0.00 C ATOM 23 O ASP A 2 86.693 5.290 1.805 1.00 0.00 O ATOM 24 CB ASP A 2 89.125 3.662 -0.137 1.00 0.00 C ATOM 25 CG ASP A 2 90.400 3.905 -0.947 1.00 0.00 C ATOM 26 OD1 ASP A 2 90.392 4.807 -1.769 1.00 0.00 O ATOM 27 OD2 ASP A 2 91.361 3.186 -0.733 1.00 0.00 O ATOM 0 H ASP A 2 90.196 4.905 1.604 1.00 0.00 H new ATOM 0 HA ASP A 2 88.495 5.713 -0.547 1.00 0.00 H new ATOM 0 HB2 ASP A 2 89.351 3.063 0.745 1.00 0.00 H new ATOM 0 HB3 ASP A 2 88.407 3.097 -0.731 1.00 0.00 H new ATOM 32 N ASP A 3 86.275 4.131 -0.013 1.00 0.00 N ATOM 33 CA ASP A 3 84.857 3.916 0.394 1.00 0.00 C ATOM 34 C ASP A 3 84.743 2.668 1.274 1.00 0.00 C ATOM 35 O ASP A 3 85.531 1.749 1.169 1.00 0.00 O ATOM 36 CB ASP A 3 84.095 3.719 -0.917 1.00 0.00 C ATOM 37 CG ASP A 3 83.009 4.789 -1.042 1.00 0.00 C ATOM 38 OD1 ASP A 3 82.525 5.236 -0.015 1.00 0.00 O ATOM 39 OD2 ASP A 3 82.679 5.142 -2.162 1.00 0.00 O ATOM 0 H ASP A 3 86.540 3.710 -0.904 1.00 0.00 H new ATOM 0 HA ASP A 3 84.462 4.750 0.974 1.00 0.00 H new ATOM 0 HB2 ASP A 3 84.781 3.782 -1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 3 83.647 2.726 -0.944 1.00 0.00 H new ATOM 44 N ILE A 4 83.769 2.630 2.141 1.00 0.00 N ATOM 45 CA ILE A 4 83.606 1.442 3.027 1.00 0.00 C ATOM 46 C ILE A 4 82.276 0.742 2.733 1.00 0.00 C ATOM 47 O ILE A 4 82.137 -0.452 2.914 1.00 0.00 O ATOM 48 CB ILE A 4 83.612 2.005 4.449 1.00 0.00 C ATOM 49 CG1 ILE A 4 82.321 2.791 4.690 1.00 0.00 C ATOM 50 CG2 ILE A 4 84.813 2.935 4.625 1.00 0.00 C ATOM 51 CD1 ILE A 4 82.263 3.239 6.152 1.00 0.00 C ATOM 0 H ILE A 4 83.079 3.369 2.275 1.00 0.00 H new ATOM 0 HA ILE A 4 84.394 0.704 2.877 1.00 0.00 H new ATOM 0 HB ILE A 4 83.679 1.185 5.164 1.00 0.00 H new ATOM 0 HG12 ILE A 4 82.282 3.658 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 4 81.456 2.172 4.454 1.00 0.00 H new ATOM 0 HG21 ILE A 4 84.817 3.336 5.638 1.00 0.00 H new ATOM 0 HG22 ILE A 4 85.733 2.377 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 4 84.746 3.755 3.910 1.00 0.00 H new ATOM 0 HD11 ILE A 4 81.344 3.799 6.325 1.00 0.00 H new ATOM 0 HD12 ILE A 4 82.282 2.364 6.802 1.00 0.00 H new ATOM 0 HD13 ILE A 4 83.121 3.874 6.372 1.00 0.00 H new ATOM 63 N TYR A 5 81.296 1.476 2.282 1.00 0.00 N ATOM 64 CA TYR A 5 79.975 0.854 1.977 1.00 0.00 C ATOM 65 C TYR A 5 80.064 0.022 0.695 1.00 0.00 C ATOM 66 O TYR A 5 79.202 -0.784 0.406 1.00 0.00 O ATOM 67 CB TYR A 5 79.017 2.031 1.790 1.00 0.00 C ATOM 68 CG TYR A 5 79.053 2.907 3.019 1.00 0.00 C ATOM 69 CD1 TYR A 5 78.222 2.620 4.108 1.00 0.00 C ATOM 70 CD2 TYR A 5 79.918 4.007 3.069 1.00 0.00 C ATOM 71 CE1 TYR A 5 78.255 3.432 5.248 1.00 0.00 C ATOM 72 CE2 TYR A 5 79.951 4.820 4.209 1.00 0.00 C ATOM 73 CZ TYR A 5 79.119 4.532 5.299 1.00 0.00 C ATOM 74 OH TYR A 5 79.153 5.333 6.422 1.00 0.00 O ATOM 0 H TYR A 5 81.352 2.480 2.111 1.00 0.00 H new ATOM 0 HA TYR A 5 79.643 0.181 2.767 1.00 0.00 H new ATOM 0 HB2 TYR A 5 79.300 2.608 0.910 1.00 0.00 H new ATOM 0 HB3 TYR A 5 78.004 1.666 1.619 1.00 0.00 H new ATOM 0 HD1 TYR A 5 77.555 1.772 4.069 1.00 0.00 H new ATOM 0 HD2 TYR A 5 80.559 4.228 2.229 1.00 0.00 H new ATOM 0 HE1 TYR A 5 77.614 3.210 6.088 1.00 0.00 H new ATOM 0 HE2 TYR A 5 80.618 5.669 4.248 1.00 0.00 H new ATOM 0 HH TYR A 5 79.808 6.051 6.292 1.00 0.00 H new ATOM 84 N LYS A 6 81.099 0.211 -0.078 1.00 0.00 N ATOM 85 CA LYS A 6 81.238 -0.571 -1.340 1.00 0.00 C ATOM 86 C LYS A 6 81.392 -2.061 -1.020 1.00 0.00 C ATOM 87 O LYS A 6 80.968 -2.914 -1.773 1.00 0.00 O ATOM 88 CB LYS A 6 82.505 -0.030 -2.005 1.00 0.00 C ATOM 89 CG LYS A 6 83.702 -0.248 -1.078 1.00 0.00 C ATOM 90 CD LYS A 6 84.398 -1.560 -1.443 1.00 0.00 C ATOM 91 CE LYS A 6 85.168 -1.384 -2.753 1.00 0.00 C ATOM 92 NZ LYS A 6 86.101 -2.544 -2.810 1.00 0.00 N ATOM 0 H LYS A 6 81.853 0.872 0.109 1.00 0.00 H new ATOM 0 HA LYS A 6 80.367 -0.472 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 6 82.672 -0.534 -2.957 1.00 0.00 H new ATOM 0 HB3 LYS A 6 82.389 1.032 -2.223 1.00 0.00 H new ATOM 0 HG2 LYS A 6 84.401 0.584 -1.167 1.00 0.00 H new ATOM 0 HG3 LYS A 6 83.371 -0.276 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 6 85.080 -1.856 -0.646 1.00 0.00 H new ATOM 0 HD3 LYS A 6 83.662 -2.358 -1.546 1.00 0.00 H new ATOM 0 HE2 LYS A 6 84.494 -1.377 -3.609 1.00 0.00 H new ATOM 0 HE3 LYS A 6 85.711 -0.439 -2.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 86.665 -2.493 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 86.735 -2.520 -1.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 85.555 -3.429 -2.802 1.00 0.00 H new ATOM 106 N ALA A 7 81.995 -2.378 0.092 1.00 0.00 N ATOM 107 CA ALA A 7 82.176 -3.811 0.461 1.00 0.00 C ATOM 108 C ALA A 7 80.855 -4.395 0.970 1.00 0.00 C ATOM 109 O ALA A 7 80.616 -5.583 0.884 1.00 0.00 O ATOM 110 CB ALA A 7 83.224 -3.806 1.573 1.00 0.00 C ATOM 0 H ALA A 7 82.371 -1.707 0.762 1.00 0.00 H new ATOM 0 HA ALA A 7 82.487 -4.420 -0.388 1.00 0.00 H new ATOM 0 HB1 ALA A 7 83.413 -4.829 1.900 1.00 0.00 H new ATOM 0 HB2 ALA A 7 84.149 -3.368 1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.858 -3.218 2.415 1.00 0.00 H new ATOM 116 N ALA A 8 79.997 -3.568 1.501 1.00 0.00 N ATOM 117 CA ALA A 8 78.692 -4.077 2.014 1.00 0.00 C ATOM 118 C ALA A 8 77.976 -4.880 0.926 1.00 0.00 C ATOM 119 O ALA A 8 77.363 -5.895 1.191 1.00 0.00 O ATOM 120 CB ALA A 8 77.892 -2.823 2.371 1.00 0.00 C ATOM 0 H ALA A 8 80.142 -2.563 1.602 1.00 0.00 H new ATOM 0 HA ALA A 8 78.813 -4.740 2.870 1.00 0.00 H new ATOM 0 HB1 ALA A 8 76.915 -3.113 2.758 1.00 0.00 H new ATOM 0 HB2 ALA A 8 78.428 -2.253 3.130 1.00 0.00 H new ATOM 0 HB3 ALA A 8 77.762 -2.208 1.480 1.00 0.00 H new ATOM 126 N VAL A 9 78.050 -4.434 -0.299 1.00 0.00 N ATOM 127 CA VAL A 9 77.374 -5.173 -1.403 1.00 0.00 C ATOM 128 C VAL A 9 78.211 -6.386 -1.816 1.00 0.00 C ATOM 129 O VAL A 9 77.703 -7.479 -1.971 1.00 0.00 O ATOM 130 CB VAL A 9 77.279 -4.167 -2.551 1.00 0.00 C ATOM 131 CG1 VAL A 9 76.386 -4.736 -3.656 1.00 0.00 C ATOM 132 CG2 VAL A 9 76.676 -2.860 -2.033 1.00 0.00 C ATOM 0 H VAL A 9 78.549 -3.591 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 9 76.394 -5.550 -1.111 1.00 0.00 H new ATOM 0 HB VAL A 9 78.275 -3.976 -2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 9 76.318 -4.019 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 9 76.813 -5.668 -4.025 1.00 0.00 H new ATOM 0 HG13 VAL A 9 75.390 -4.926 -3.257 1.00 0.00 H new ATOM 0 HG21 VAL A 9 76.608 -2.142 -2.850 1.00 0.00 H new ATOM 0 HG22 VAL A 9 75.680 -3.052 -1.634 1.00 0.00 H new ATOM 0 HG23 VAL A 9 77.310 -2.454 -1.245 1.00 0.00 H new ATOM 142 N GLU A 10 79.491 -6.203 -1.996 1.00 0.00 N ATOM 143 CA GLU A 10 80.358 -7.348 -2.397 1.00 0.00 C ATOM 144 C GLU A 10 80.129 -8.535 -1.459 1.00 0.00 C ATOM 145 O GLU A 10 80.009 -9.665 -1.890 1.00 0.00 O ATOM 146 CB GLU A 10 81.790 -6.828 -2.265 1.00 0.00 C ATOM 147 CG GLU A 10 82.104 -5.893 -3.436 1.00 0.00 C ATOM 148 CD GLU A 10 83.618 -5.820 -3.639 1.00 0.00 C ATOM 149 OE1 GLU A 10 84.337 -6.240 -2.747 1.00 0.00 O ATOM 150 OE2 GLU A 10 84.033 -5.345 -4.683 1.00 0.00 O ATOM 0 H GLU A 10 79.973 -5.311 -1.883 1.00 0.00 H new ATOM 0 HA GLU A 10 80.144 -7.695 -3.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 81.910 -6.298 -1.320 1.00 0.00 H new ATOM 0 HB3 GLU A 10 82.491 -7.662 -2.254 1.00 0.00 H new ATOM 0 HG2 GLU A 10 81.622 -6.255 -4.344 1.00 0.00 H new ATOM 0 HG3 GLU A 10 81.705 -4.898 -3.238 1.00 0.00 H new ATOM 157 N GLN A 11 80.064 -8.288 -0.180 1.00 0.00 N ATOM 158 CA GLN A 11 79.840 -9.404 0.785 1.00 0.00 C ATOM 159 C GLN A 11 78.513 -10.103 0.482 1.00 0.00 C ATOM 160 O GLN A 11 78.414 -11.313 0.521 1.00 0.00 O ATOM 161 CB GLN A 11 79.793 -8.734 2.159 1.00 0.00 C ATOM 162 CG GLN A 11 81.167 -8.832 2.823 1.00 0.00 C ATOM 163 CD GLN A 11 81.520 -7.491 3.470 1.00 0.00 C ATOM 164 OE1 GLN A 11 82.333 -6.750 2.953 1.00 0.00 O ATOM 165 NE2 GLN A 11 80.939 -7.146 4.586 1.00 0.00 N ATOM 0 H GLN A 11 80.156 -7.363 0.240 1.00 0.00 H new ATOM 0 HA GLN A 11 80.619 -10.164 0.729 1.00 0.00 H new ATOM 0 HB2 GLN A 11 79.501 -7.689 2.056 1.00 0.00 H new ATOM 0 HB3 GLN A 11 79.040 -9.215 2.784 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.163 -9.621 3.575 1.00 0.00 H new ATOM 0 HG3 GLN A 11 81.921 -9.100 2.083 1.00 0.00 H new ATOM 0 HE21 GLN A 11 80.257 -7.768 5.019 1.00 0.00 H new ATOM 0 HE22 GLN A 11 81.167 -6.254 5.025 1.00 0.00 H new ATOM 174 N LEU A 12 77.491 -9.350 0.181 1.00 0.00 N ATOM 175 CA LEU A 12 76.170 -9.970 -0.125 1.00 0.00 C ATOM 176 C LEU A 12 76.311 -10.979 -1.269 1.00 0.00 C ATOM 177 O LEU A 12 77.179 -10.859 -2.111 1.00 0.00 O ATOM 178 CB LEU A 12 75.274 -8.805 -0.546 1.00 0.00 C ATOM 179 CG LEU A 12 75.140 -7.818 0.615 1.00 0.00 C ATOM 180 CD1 LEU A 12 74.561 -6.499 0.099 1.00 0.00 C ATOM 181 CD2 LEU A 12 74.206 -8.402 1.676 1.00 0.00 C ATOM 0 H LEU A 12 77.513 -8.331 0.134 1.00 0.00 H new ATOM 0 HA LEU A 12 75.761 -10.512 0.728 1.00 0.00 H new ATOM 0 HB2 LEU A 12 75.697 -8.303 -1.417 1.00 0.00 H new ATOM 0 HB3 LEU A 12 74.291 -9.175 -0.838 1.00 0.00 H new ATOM 0 HG LEU A 12 76.122 -7.638 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 12 74.465 -5.795 0.926 1.00 0.00 H new ATOM 0 HD12 LEU A 12 75.225 -6.081 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 12 73.579 -6.679 -0.339 1.00 0.00 H new ATOM 0 HD21 LEU A 12 74.110 -7.699 2.503 1.00 0.00 H new ATOM 0 HD22 LEU A 12 73.224 -8.582 1.237 1.00 0.00 H new ATOM 0 HD23 LEU A 12 74.617 -9.342 2.044 1.00 0.00 H new ATOM 193 N THR A 13 75.465 -11.972 -1.305 1.00 0.00 N ATOM 194 CA THR A 13 75.551 -12.985 -2.395 1.00 0.00 C ATOM 195 C THR A 13 74.494 -12.701 -3.465 1.00 0.00 C ATOM 196 O THR A 13 73.553 -11.966 -3.241 1.00 0.00 O ATOM 197 CB THR A 13 75.277 -14.326 -1.713 1.00 0.00 C ATOM 198 OG1 THR A 13 74.371 -14.131 -0.637 1.00 0.00 O ATOM 199 CG2 THR A 13 76.587 -14.909 -1.181 1.00 0.00 C ATOM 0 H THR A 13 74.718 -12.126 -0.627 1.00 0.00 H new ATOM 0 HA THR A 13 76.520 -12.973 -2.894 1.00 0.00 H new ATOM 0 HB THR A 13 74.842 -15.018 -2.434 1.00 0.00 H new ATOM 0 HG1 THR A 13 74.193 -14.990 -0.200 1.00 0.00 H new ATOM 0 HG21 THR A 13 76.389 -15.865 -0.695 1.00 0.00 H new ATOM 0 HG22 THR A 13 77.281 -15.059 -2.008 1.00 0.00 H new ATOM 0 HG23 THR A 13 77.026 -14.219 -0.460 1.00 0.00 H new ATOM 207 N GLU A 14 74.641 -13.277 -4.627 1.00 0.00 N ATOM 208 CA GLU A 14 73.642 -13.037 -5.707 1.00 0.00 C ATOM 209 C GLU A 14 72.224 -13.257 -5.175 1.00 0.00 C ATOM 210 O GLU A 14 71.366 -12.406 -5.297 1.00 0.00 O ATOM 211 CB GLU A 14 73.974 -14.064 -6.790 1.00 0.00 C ATOM 212 CG GLU A 14 73.633 -13.486 -8.165 1.00 0.00 C ATOM 213 CD GLU A 14 74.781 -12.594 -8.643 1.00 0.00 C ATOM 214 OE1 GLU A 14 75.828 -13.131 -8.963 1.00 0.00 O ATOM 215 OE2 GLU A 14 74.592 -11.390 -8.681 1.00 0.00 O ATOM 0 H GLU A 14 75.408 -13.902 -4.875 1.00 0.00 H new ATOM 0 HA GLU A 14 73.683 -12.016 -6.087 1.00 0.00 H new ATOM 0 HB2 GLU A 14 75.031 -14.325 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 14 73.411 -14.982 -6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 14 73.464 -14.293 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 14 72.709 -12.910 -8.110 1.00 0.00 H new ATOM 222 N GLU A 15 71.971 -14.393 -4.584 1.00 0.00 N ATOM 223 CA GLU A 15 70.608 -14.665 -4.044 1.00 0.00 C ATOM 224 C GLU A 15 70.072 -13.427 -3.319 1.00 0.00 C ATOM 225 O GLU A 15 68.969 -12.982 -3.566 1.00 0.00 O ATOM 226 CB GLU A 15 70.794 -15.824 -3.064 1.00 0.00 C ATOM 227 CG GLU A 15 69.433 -16.455 -2.757 1.00 0.00 C ATOM 228 CD GLU A 15 68.894 -17.140 -4.013 1.00 0.00 C ATOM 229 OE1 GLU A 15 69.696 -17.505 -4.857 1.00 0.00 O ATOM 230 OE2 GLU A 15 67.687 -17.289 -4.111 1.00 0.00 O ATOM 0 H GLU A 15 72.648 -15.144 -4.452 1.00 0.00 H new ATOM 0 HA GLU A 15 69.892 -14.908 -4.829 1.00 0.00 H new ATOM 0 HB2 GLU A 15 71.465 -16.570 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 15 71.257 -15.466 -2.144 1.00 0.00 H new ATOM 0 HG2 GLU A 15 69.530 -17.179 -1.948 1.00 0.00 H new ATOM 0 HG3 GLU A 15 68.734 -15.690 -2.418 1.00 0.00 H new ATOM 237 N GLN A 16 70.843 -12.868 -2.427 1.00 0.00 N ATOM 238 CA GLN A 16 70.375 -11.659 -1.691 1.00 0.00 C ATOM 239 C GLN A 16 70.247 -10.473 -2.651 1.00 0.00 C ATOM 240 O GLN A 16 69.257 -9.768 -2.654 1.00 0.00 O ATOM 241 CB GLN A 16 71.455 -11.388 -0.643 1.00 0.00 C ATOM 242 CG GLN A 16 70.994 -11.920 0.714 1.00 0.00 C ATOM 243 CD GLN A 16 71.509 -11.004 1.825 1.00 0.00 C ATOM 244 OE1 GLN A 16 71.228 -9.822 1.832 1.00 0.00 O ATOM 245 NE2 GLN A 16 72.255 -11.502 2.771 1.00 0.00 N ATOM 0 H GLN A 16 71.776 -13.196 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 16 69.396 -11.806 -1.236 1.00 0.00 H new ATOM 0 HB2 GLN A 16 72.389 -11.868 -0.935 1.00 0.00 H new ATOM 0 HB3 GLN A 16 71.653 -10.318 -0.578 1.00 0.00 H new ATOM 0 HG2 GLN A 16 69.906 -11.971 0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 16 71.365 -12.934 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 16 72.491 -12.494 2.765 1.00 0.00 H new ATOM 0 HE22 GLN A 16 72.603 -10.899 3.517 1.00 0.00 H new ATOM 254 N LYS A 17 71.240 -10.248 -3.467 1.00 0.00 N ATOM 255 CA LYS A 17 71.173 -9.109 -4.427 1.00 0.00 C ATOM 256 C LYS A 17 69.896 -9.204 -5.266 1.00 0.00 C ATOM 257 O LYS A 17 69.271 -8.210 -5.578 1.00 0.00 O ATOM 258 CB LYS A 17 72.410 -9.261 -5.311 1.00 0.00 C ATOM 259 CG LYS A 17 73.587 -8.524 -4.670 1.00 0.00 C ATOM 260 CD LYS A 17 74.890 -9.257 -4.998 1.00 0.00 C ATOM 261 CE LYS A 17 75.649 -8.488 -6.082 1.00 0.00 C ATOM 262 NZ LYS A 17 77.083 -8.580 -5.687 1.00 0.00 N ATOM 0 H LYS A 17 72.095 -10.803 -3.511 1.00 0.00 H new ATOM 0 HA LYS A 17 71.152 -8.143 -3.923 1.00 0.00 H new ATOM 0 HB2 LYS A 17 72.653 -10.316 -5.437 1.00 0.00 H new ATOM 0 HB3 LYS A 17 72.212 -8.858 -6.304 1.00 0.00 H new ATOM 0 HG2 LYS A 17 73.632 -7.499 -5.038 1.00 0.00 H new ATOM 0 HG3 LYS A 17 73.450 -8.469 -3.590 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.505 -9.346 -4.102 1.00 0.00 H new ATOM 0 HD3 LYS A 17 74.674 -10.270 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 17 75.482 -8.925 -7.066 1.00 0.00 H new ATOM 0 HE3 LYS A 17 75.320 -7.450 -6.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 77.668 -8.075 -6.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 77.213 -8.150 -4.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 77.370 -9.579 -5.653 1.00 0.00 H new ATOM 276 N ASN A 18 69.503 -10.395 -5.631 1.00 0.00 N ATOM 277 CA ASN A 18 68.266 -10.554 -6.444 1.00 0.00 C ATOM 278 C ASN A 18 67.035 -10.461 -5.538 1.00 0.00 C ATOM 279 O ASN A 18 66.134 -9.682 -5.778 1.00 0.00 O ATOM 280 CB ASN A 18 68.385 -11.947 -7.067 1.00 0.00 C ATOM 281 CG ASN A 18 67.005 -12.438 -7.509 1.00 0.00 C ATOM 282 OD1 ASN A 18 66.212 -11.676 -8.024 1.00 0.00 O ATOM 283 ND2 ASN A 18 66.685 -13.689 -7.326 1.00 0.00 N ATOM 0 H ASN A 18 69.986 -11.263 -5.401 1.00 0.00 H new ATOM 0 HA ASN A 18 68.157 -9.781 -7.205 1.00 0.00 H new ATOM 0 HB2 ASN A 18 69.061 -11.916 -7.922 1.00 0.00 H new ATOM 0 HB3 ASN A 18 68.814 -12.642 -6.346 1.00 0.00 H new ATOM 0 HD21 ASN A 18 65.768 -14.028 -7.616 1.00 0.00 H new ATOM 0 HD22 ASN A 18 67.352 -14.328 -6.893 1.00 0.00 H new ATOM 290 N GLU A 19 66.995 -11.243 -4.494 1.00 0.00 N ATOM 291 CA GLU A 19 65.825 -11.189 -3.572 1.00 0.00 C ATOM 292 C GLU A 19 65.506 -9.733 -3.225 1.00 0.00 C ATOM 293 O GLU A 19 64.360 -9.343 -3.126 1.00 0.00 O ATOM 294 CB GLU A 19 66.265 -11.958 -2.326 1.00 0.00 C ATOM 295 CG GLU A 19 65.135 -12.885 -1.872 1.00 0.00 C ATOM 296 CD GLU A 19 65.676 -13.887 -0.850 1.00 0.00 C ATOM 297 OE1 GLU A 19 66.366 -13.460 0.060 1.00 0.00 O ATOM 298 OE2 GLU A 19 65.390 -15.064 -0.996 1.00 0.00 O ATOM 0 H GLU A 19 67.719 -11.915 -4.240 1.00 0.00 H new ATOM 0 HA GLU A 19 64.925 -11.618 -4.013 1.00 0.00 H new ATOM 0 HB2 GLU A 19 67.162 -12.539 -2.542 1.00 0.00 H new ATOM 0 HB3 GLU A 19 66.521 -11.262 -1.528 1.00 0.00 H new ATOM 0 HG2 GLU A 19 64.326 -12.301 -1.432 1.00 0.00 H new ATOM 0 HG3 GLU A 19 64.717 -13.413 -2.729 1.00 0.00 H new ATOM 305 N PHE A 20 66.516 -8.925 -3.046 1.00 0.00 N ATOM 306 CA PHE A 20 66.275 -7.493 -2.712 1.00 0.00 C ATOM 307 C PHE A 20 65.720 -6.757 -3.933 1.00 0.00 C ATOM 308 O PHE A 20 64.807 -5.963 -3.830 1.00 0.00 O ATOM 309 CB PHE A 20 67.647 -6.939 -2.326 1.00 0.00 C ATOM 310 CG PHE A 20 67.728 -6.797 -0.824 1.00 0.00 C ATOM 311 CD1 PHE A 20 66.652 -6.249 -0.116 1.00 0.00 C ATOM 312 CD2 PHE A 20 68.877 -7.214 -0.143 1.00 0.00 C ATOM 313 CE1 PHE A 20 66.726 -6.119 1.276 1.00 0.00 C ATOM 314 CE2 PHE A 20 68.950 -7.083 1.249 1.00 0.00 C ATOM 315 CZ PHE A 20 67.875 -6.535 1.959 1.00 0.00 C ATOM 0 H PHE A 20 67.497 -9.195 -3.117 1.00 0.00 H new ATOM 0 HA PHE A 20 65.549 -7.370 -1.909 1.00 0.00 H new ATOM 0 HB2 PHE A 20 68.433 -7.605 -2.682 1.00 0.00 H new ATOM 0 HB3 PHE A 20 67.808 -5.972 -2.803 1.00 0.00 H new ATOM 0 HD1 PHE A 20 65.766 -5.927 -0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 20 69.707 -7.636 -0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 20 65.896 -5.697 1.823 1.00 0.00 H new ATOM 0 HE2 PHE A 20 69.836 -7.405 1.776 1.00 0.00 H new ATOM 0 HZ PHE A 20 67.932 -6.433 3.033 1.00 0.00 H new ATOM 325 N LYS A 21 66.260 -7.020 -5.092 1.00 0.00 N ATOM 326 CA LYS A 21 65.756 -6.339 -6.318 1.00 0.00 C ATOM 327 C LYS A 21 64.277 -6.668 -6.522 1.00 0.00 C ATOM 328 O LYS A 21 63.534 -5.902 -7.102 1.00 0.00 O ATOM 329 CB LYS A 21 66.597 -6.907 -7.462 1.00 0.00 C ATOM 330 CG LYS A 21 66.044 -6.407 -8.798 1.00 0.00 C ATOM 331 CD LYS A 21 65.532 -7.594 -9.615 1.00 0.00 C ATOM 332 CE LYS A 21 64.519 -7.100 -10.651 1.00 0.00 C ATOM 333 NZ LYS A 21 64.075 -8.327 -11.368 1.00 0.00 N ATOM 0 H LYS A 21 67.027 -7.676 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 21 65.838 -5.254 -6.257 1.00 0.00 H new ATOM 0 HB2 LYS A 21 67.637 -6.601 -7.349 1.00 0.00 H new ATOM 0 HB3 LYS A 21 66.580 -7.997 -7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 21 65.237 -5.695 -8.626 1.00 0.00 H new ATOM 0 HG3 LYS A 21 66.821 -5.880 -9.351 1.00 0.00 H new ATOM 0 HD2 LYS A 21 66.364 -8.093 -10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 21 65.067 -8.329 -8.957 1.00 0.00 H new ATOM 0 HE2 LYS A 21 63.679 -6.596 -10.173 1.00 0.00 H new ATOM 0 HE3 LYS A 21 64.972 -6.384 -11.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 63.378 -8.071 -12.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 64.895 -8.782 -11.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 63.642 -8.987 -10.691 1.00 0.00 H new ATOM 347 N ALA A 22 63.844 -7.803 -6.045 1.00 0.00 N ATOM 348 CA ALA A 22 62.411 -8.183 -6.207 1.00 0.00 C ATOM 349 C ALA A 22 61.524 -7.268 -5.357 1.00 0.00 C ATOM 350 O ALA A 22 60.343 -7.135 -5.600 1.00 0.00 O ATOM 351 CB ALA A 22 62.324 -9.627 -5.711 1.00 0.00 C ATOM 0 H ALA A 22 64.420 -8.484 -5.550 1.00 0.00 H new ATOM 0 HA ALA A 22 62.072 -8.087 -7.238 1.00 0.00 H new ATOM 0 HB1 ALA A 22 61.297 -9.980 -5.798 1.00 0.00 H new ATOM 0 HB2 ALA A 22 62.977 -10.258 -6.313 1.00 0.00 H new ATOM 0 HB3 ALA A 22 62.636 -9.673 -4.668 1.00 0.00 H new ATOM 357 N ALA A 23 62.087 -6.636 -4.365 1.00 0.00 N ATOM 358 CA ALA A 23 61.275 -5.728 -3.504 1.00 0.00 C ATOM 359 C ALA A 23 61.530 -4.269 -3.891 1.00 0.00 C ATOM 360 O ALA A 23 60.879 -3.364 -3.407 1.00 0.00 O ATOM 361 CB ALA A 23 61.757 -5.995 -2.078 1.00 0.00 C ATOM 0 H ALA A 23 63.073 -6.708 -4.113 1.00 0.00 H new ATOM 0 HA ALA A 23 60.205 -5.905 -3.611 1.00 0.00 H new ATOM 0 HB1 ALA A 23 61.205 -5.362 -1.383 1.00 0.00 H new ATOM 0 HB2 ALA A 23 61.589 -7.042 -1.827 1.00 0.00 H new ATOM 0 HB3 ALA A 23 62.821 -5.771 -2.006 1.00 0.00 H new ATOM 367 N PHE A 24 62.474 -4.034 -4.761 1.00 0.00 N ATOM 368 CA PHE A 24 62.774 -2.634 -5.180 1.00 0.00 C ATOM 369 C PHE A 24 62.079 -2.315 -6.507 1.00 0.00 C ATOM 370 O PHE A 24 61.484 -1.268 -6.670 1.00 0.00 O ATOM 371 CB PHE A 24 64.293 -2.591 -5.348 1.00 0.00 C ATOM 372 CG PHE A 24 64.700 -1.269 -5.953 1.00 0.00 C ATOM 373 CD1 PHE A 24 64.461 -1.014 -7.309 1.00 0.00 C ATOM 374 CD2 PHE A 24 65.319 -0.298 -5.158 1.00 0.00 C ATOM 375 CE1 PHE A 24 64.842 0.211 -7.869 1.00 0.00 C ATOM 376 CE2 PHE A 24 65.700 0.928 -5.716 1.00 0.00 C ATOM 377 CZ PHE A 24 65.461 1.182 -7.073 1.00 0.00 C ATOM 0 H PHE A 24 63.051 -4.751 -5.200 1.00 0.00 H new ATOM 0 HA PHE A 24 62.421 -1.901 -4.454 1.00 0.00 H new ATOM 0 HB2 PHE A 24 64.779 -2.725 -4.382 1.00 0.00 H new ATOM 0 HB3 PHE A 24 64.621 -3.411 -5.987 1.00 0.00 H new ATOM 0 HD1 PHE A 24 63.983 -1.763 -7.923 1.00 0.00 H new ATOM 0 HD2 PHE A 24 65.503 -0.495 -4.112 1.00 0.00 H new ATOM 0 HE1 PHE A 24 64.658 0.407 -8.915 1.00 0.00 H new ATOM 0 HE2 PHE A 24 66.177 1.677 -5.101 1.00 0.00 H new ATOM 0 HZ PHE A 24 65.754 2.127 -7.505 1.00 0.00 H new ATOM 387 N ASP A 25 62.150 -3.210 -7.455 1.00 0.00 N ATOM 388 CA ASP A 25 61.494 -2.956 -8.771 1.00 0.00 C ATOM 389 C ASP A 25 59.974 -2.866 -8.602 1.00 0.00 C ATOM 390 O ASP A 25 59.261 -2.487 -9.509 1.00 0.00 O ATOM 391 CB ASP A 25 61.865 -4.163 -9.635 1.00 0.00 C ATOM 392 CG ASP A 25 61.873 -3.753 -11.110 1.00 0.00 C ATOM 393 OD1 ASP A 25 62.220 -2.617 -11.387 1.00 0.00 O ATOM 394 OD2 ASP A 25 61.531 -4.583 -11.937 1.00 0.00 O ATOM 0 H ASP A 25 62.633 -4.105 -7.376 1.00 0.00 H new ATOM 0 HA ASP A 25 61.818 -2.016 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 25 62.845 -4.542 -9.347 1.00 0.00 H new ATOM 0 HB3 ASP A 25 61.151 -4.971 -9.475 1.00 0.00 H new ATOM 399 N ILE A 26 59.474 -3.215 -7.448 1.00 0.00 N ATOM 400 CA ILE A 26 58.001 -3.153 -7.225 1.00 0.00 C ATOM 401 C ILE A 26 57.571 -1.731 -6.852 1.00 0.00 C ATOM 402 O ILE A 26 56.397 -1.432 -6.764 1.00 0.00 O ATOM 403 CB ILE A 26 57.743 -4.112 -6.068 1.00 0.00 C ATOM 404 CG1 ILE A 26 58.169 -5.520 -6.486 1.00 0.00 C ATOM 405 CG2 ILE A 26 56.252 -4.104 -5.723 1.00 0.00 C ATOM 406 CD1 ILE A 26 57.604 -6.539 -5.499 1.00 0.00 C ATOM 0 H ILE A 26 60.021 -3.540 -6.651 1.00 0.00 H new ATOM 0 HA ILE A 26 57.438 -3.423 -8.118 1.00 0.00 H new ATOM 0 HB ILE A 26 58.314 -3.801 -5.193 1.00 0.00 H new ATOM 0 HG12 ILE A 26 57.811 -5.736 -7.492 1.00 0.00 H new ATOM 0 HG13 ILE A 26 59.256 -5.589 -6.513 1.00 0.00 H new ATOM 0 HG21 ILE A 26 56.066 -4.789 -4.896 1.00 0.00 H new ATOM 0 HG22 ILE A 26 55.951 -3.097 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 26 55.676 -4.420 -6.592 1.00 0.00 H new ATOM 0 HD11 ILE A 26 57.908 -7.542 -5.798 1.00 0.00 H new ATOM 0 HD12 ILE A 26 57.984 -6.327 -4.500 1.00 0.00 H new ATOM 0 HD13 ILE A 26 56.516 -6.476 -5.494 1.00 0.00 H new ATOM 418 N PHE A 27 58.509 -0.851 -6.630 1.00 0.00 N ATOM 419 CA PHE A 27 58.144 0.547 -6.262 1.00 0.00 C ATOM 420 C PHE A 27 59.202 1.527 -6.771 1.00 0.00 C ATOM 421 O PHE A 27 59.661 2.389 -6.049 1.00 0.00 O ATOM 422 CB PHE A 27 58.100 0.557 -4.734 1.00 0.00 C ATOM 423 CG PHE A 27 56.744 0.088 -4.266 1.00 0.00 C ATOM 424 CD1 PHE A 27 55.688 1.001 -4.151 1.00 0.00 C ATOM 425 CD2 PHE A 27 56.542 -1.260 -3.945 1.00 0.00 C ATOM 426 CE1 PHE A 27 54.430 0.565 -3.717 1.00 0.00 C ATOM 427 CE2 PHE A 27 55.285 -1.696 -3.510 1.00 0.00 C ATOM 428 CZ PHE A 27 54.229 -0.783 -3.396 1.00 0.00 C ATOM 0 H PHE A 27 59.510 -1.039 -6.687 1.00 0.00 H new ATOM 0 HA PHE A 27 57.194 0.851 -6.701 1.00 0.00 H new ATOM 0 HB2 PHE A 27 58.879 -0.091 -4.333 1.00 0.00 H new ATOM 0 HB3 PHE A 27 58.298 1.562 -4.361 1.00 0.00 H new ATOM 0 HD1 PHE A 27 55.844 2.041 -4.397 1.00 0.00 H new ATOM 0 HD2 PHE A 27 57.357 -1.964 -4.033 1.00 0.00 H new ATOM 0 HE1 PHE A 27 53.615 1.268 -3.630 1.00 0.00 H new ATOM 0 HE2 PHE A 27 55.130 -2.736 -3.262 1.00 0.00 H new ATOM 0 HZ PHE A 27 53.259 -1.119 -3.060 1.00 0.00 H new ATOM 438 N VAL A 28 59.591 1.408 -8.011 1.00 0.00 N ATOM 439 CA VAL A 28 60.618 2.339 -8.559 1.00 0.00 C ATOM 440 C VAL A 28 59.942 3.487 -9.311 1.00 0.00 C ATOM 441 O VAL A 28 60.577 4.226 -10.037 1.00 0.00 O ATOM 442 CB VAL A 28 61.457 1.490 -9.514 1.00 0.00 C ATOM 443 CG1 VAL A 28 62.615 2.327 -10.058 1.00 0.00 C ATOM 444 CG2 VAL A 28 62.014 0.279 -8.762 1.00 0.00 C ATOM 0 H VAL A 28 59.243 0.708 -8.667 1.00 0.00 H new ATOM 0 HA VAL A 28 61.227 2.789 -7.775 1.00 0.00 H new ATOM 0 HB VAL A 28 60.834 1.151 -10.342 1.00 0.00 H new ATOM 0 HG11 VAL A 28 63.213 1.721 -10.739 1.00 0.00 H new ATOM 0 HG12 VAL A 28 62.220 3.191 -10.592 1.00 0.00 H new ATOM 0 HG13 VAL A 28 63.239 2.666 -9.231 1.00 0.00 H new ATOM 0 HG21 VAL A 28 62.613 -0.328 -9.442 1.00 0.00 H new ATOM 0 HG22 VAL A 28 62.637 0.619 -7.935 1.00 0.00 H new ATOM 0 HG23 VAL A 28 61.190 -0.319 -8.373 1.00 0.00 H new ATOM 454 N LEU A 29 58.659 3.641 -9.142 1.00 0.00 N ATOM 455 CA LEU A 29 57.943 4.744 -9.850 1.00 0.00 C ATOM 456 C LEU A 29 58.196 6.088 -9.156 1.00 0.00 C ATOM 457 O LEU A 29 57.636 7.101 -9.525 1.00 0.00 O ATOM 458 CB LEU A 29 56.452 4.352 -9.820 1.00 0.00 C ATOM 459 CG LEU A 29 55.787 4.698 -8.473 1.00 0.00 C ATOM 460 CD1 LEU A 29 56.665 4.255 -7.301 1.00 0.00 C ATOM 461 CD2 LEU A 29 55.533 6.206 -8.387 1.00 0.00 C ATOM 0 H LEU A 29 58.075 3.054 -8.547 1.00 0.00 H new ATOM 0 HA LEU A 29 58.292 4.870 -10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 29 55.927 4.865 -10.625 1.00 0.00 H new ATOM 0 HB3 LEU A 29 56.355 3.283 -10.007 1.00 0.00 H new ATOM 0 HG LEU A 29 54.838 4.166 -8.415 1.00 0.00 H new ATOM 0 HD11 LEU A 29 56.174 4.510 -6.362 1.00 0.00 H new ATOM 0 HD12 LEU A 29 56.819 3.177 -7.349 1.00 0.00 H new ATOM 0 HD13 LEU A 29 57.628 4.762 -7.356 1.00 0.00 H new ATOM 0 HD21 LEU A 29 55.063 6.442 -7.432 1.00 0.00 H new ATOM 0 HD22 LEU A 29 56.480 6.740 -8.467 1.00 0.00 H new ATOM 0 HD23 LEU A 29 54.875 6.511 -9.201 1.00 0.00 H new ATOM 473 N GLY A 30 59.042 6.107 -8.162 1.00 0.00 N ATOM 474 CA GLY A 30 59.331 7.386 -7.455 1.00 0.00 C ATOM 475 C GLY A 30 60.555 8.050 -8.086 1.00 0.00 C ATOM 476 O GLY A 30 61.413 8.573 -7.402 1.00 0.00 O ATOM 0 H GLY A 30 59.545 5.293 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 30 58.470 8.051 -7.518 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.511 7.197 -6.397 1.00 0.00 H new ATOM 480 N ALA A 31 60.642 8.033 -9.387 1.00 0.00 N ATOM 481 CA ALA A 31 61.808 8.662 -10.066 1.00 0.00 C ATOM 482 C ALA A 31 61.771 8.355 -11.565 1.00 0.00 C ATOM 483 O ALA A 31 60.812 7.806 -12.072 1.00 0.00 O ATOM 484 CB ALA A 31 63.037 8.022 -9.418 1.00 0.00 C ATOM 0 H ALA A 31 59.954 7.610 -10.010 1.00 0.00 H new ATOM 0 HA ALA A 31 61.812 9.747 -9.962 1.00 0.00 H new ATOM 0 HB1 ALA A 31 63.941 8.435 -9.866 1.00 0.00 H new ATOM 0 HB2 ALA A 31 63.034 8.231 -8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 31 63.013 6.944 -9.578 1.00 0.00 H new ATOM 490 N GLU A 32 62.805 8.706 -12.278 1.00 0.00 N ATOM 491 CA GLU A 32 62.826 8.432 -13.744 1.00 0.00 C ATOM 492 C GLU A 32 64.141 7.755 -14.137 1.00 0.00 C ATOM 493 O GLU A 32 64.666 7.974 -15.210 1.00 0.00 O ATOM 494 CB GLU A 32 62.713 9.808 -14.403 1.00 0.00 C ATOM 495 CG GLU A 32 61.242 10.119 -14.689 1.00 0.00 C ATOM 496 CD GLU A 32 61.055 11.632 -14.812 1.00 0.00 C ATOM 497 OE1 GLU A 32 60.895 12.275 -13.788 1.00 0.00 O ATOM 498 OE2 GLU A 32 61.075 12.122 -15.929 1.00 0.00 O ATOM 0 H GLU A 32 63.636 9.170 -11.911 1.00 0.00 H new ATOM 0 HA GLU A 32 62.022 7.764 -14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 32 63.137 10.571 -13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 32 63.286 9.827 -15.330 1.00 0.00 H new ATOM 0 HG2 GLU A 32 60.928 9.627 -15.609 1.00 0.00 H new ATOM 0 HG3 GLU A 32 60.614 9.728 -13.888 1.00 0.00 H new ATOM 505 N ASP A 33 64.676 6.933 -13.275 1.00 0.00 N ATOM 506 CA ASP A 33 65.958 6.245 -13.602 1.00 0.00 C ATOM 507 C ASP A 33 66.141 5.011 -12.713 1.00 0.00 C ATOM 508 O ASP A 33 67.141 4.861 -12.041 1.00 0.00 O ATOM 509 CB ASP A 33 67.047 7.280 -13.317 1.00 0.00 C ATOM 510 CG ASP A 33 66.929 7.767 -11.871 1.00 0.00 C ATOM 511 OD1 ASP A 33 65.819 8.059 -11.453 1.00 0.00 O ATOM 512 OD2 ASP A 33 67.949 7.843 -11.207 1.00 0.00 O ATOM 0 H ASP A 33 64.282 6.709 -12.361 1.00 0.00 H new ATOM 0 HA ASP A 33 65.987 5.897 -14.634 1.00 0.00 H new ATOM 0 HB2 ASP A 33 68.031 6.842 -13.484 1.00 0.00 H new ATOM 0 HB3 ASP A 33 66.951 8.121 -14.003 1.00 0.00 H new ATOM 517 N GLY A 34 65.183 4.124 -12.708 1.00 0.00 N ATOM 518 CA GLY A 34 65.304 2.900 -11.866 1.00 0.00 C ATOM 519 C GLY A 34 65.589 3.296 -10.416 1.00 0.00 C ATOM 520 O GLY A 34 66.435 2.721 -9.760 1.00 0.00 O ATOM 0 H GLY A 34 64.322 4.194 -13.251 1.00 0.00 H new ATOM 0 HA2 GLY A 34 64.384 2.318 -11.920 1.00 0.00 H new ATOM 0 HA3 GLY A 34 66.105 2.265 -12.244 1.00 0.00 H new ATOM 524 N CYS A 35 64.888 4.273 -9.909 1.00 0.00 N ATOM 525 CA CYS A 35 65.120 4.702 -8.500 1.00 0.00 C ATOM 526 C CYS A 35 63.784 4.836 -7.763 1.00 0.00 C ATOM 527 O CYS A 35 62.741 4.967 -8.373 1.00 0.00 O ATOM 528 CB CYS A 35 65.812 6.061 -8.609 1.00 0.00 C ATOM 529 SG CYS A 35 67.429 5.851 -9.394 1.00 0.00 S ATOM 0 H CYS A 35 64.166 4.792 -10.408 1.00 0.00 H new ATOM 0 HA CYS A 35 65.720 3.984 -7.942 1.00 0.00 H new ATOM 0 HB2 CYS A 35 65.199 6.748 -9.192 1.00 0.00 H new ATOM 0 HB3 CYS A 35 65.931 6.502 -7.619 1.00 0.00 H new ATOM 0 HG CYS A 35 67.267 5.497 -10.634 1.00 0.00 H new ATOM 535 N ILE A 36 63.806 4.806 -6.458 1.00 0.00 N ATOM 536 CA ILE A 36 62.533 4.931 -5.692 1.00 0.00 C ATOM 537 C ILE A 36 62.534 6.221 -4.868 1.00 0.00 C ATOM 538 O ILE A 36 63.561 6.834 -4.657 1.00 0.00 O ATOM 539 CB ILE A 36 62.496 3.708 -4.776 1.00 0.00 C ATOM 540 CG1 ILE A 36 63.656 3.781 -3.781 1.00 0.00 C ATOM 541 CG2 ILE A 36 62.627 2.436 -5.614 1.00 0.00 C ATOM 542 CD1 ILE A 36 63.527 2.646 -2.763 1.00 0.00 C ATOM 0 H ILE A 36 64.647 4.701 -5.891 1.00 0.00 H new ATOM 0 HA ILE A 36 61.662 4.974 -6.346 1.00 0.00 H new ATOM 0 HB ILE A 36 61.550 3.691 -4.234 1.00 0.00 H new ATOM 0 HG12 ILE A 36 64.607 3.705 -4.308 1.00 0.00 H new ATOM 0 HG13 ILE A 36 63.651 4.744 -3.270 1.00 0.00 H new ATOM 0 HG21 ILE A 36 62.600 1.565 -4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 36 61.802 2.382 -6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 36 63.572 2.454 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 36 64.353 2.698 -2.054 1.00 0.00 H new ATOM 0 HD12 ILE A 36 62.583 2.743 -2.227 1.00 0.00 H new ATOM 0 HD13 ILE A 36 63.553 1.688 -3.281 1.00 0.00 H new ATOM 554 N SER A 37 61.388 6.637 -4.402 1.00 0.00 N ATOM 555 CA SER A 37 61.323 7.887 -3.592 1.00 0.00 C ATOM 556 C SER A 37 61.574 7.573 -2.115 1.00 0.00 C ATOM 557 O SER A 37 61.078 6.598 -1.586 1.00 0.00 O ATOM 558 CB SER A 37 59.904 8.416 -3.795 1.00 0.00 C ATOM 559 OG SER A 37 59.944 9.554 -4.646 1.00 0.00 O ATOM 0 H SER A 37 60.495 6.166 -4.547 1.00 0.00 H new ATOM 0 HA SER A 37 62.076 8.615 -3.894 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.274 7.642 -4.233 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.462 8.681 -2.835 1.00 0.00 H new ATOM 0 HG SER A 37 60.379 9.315 -5.491 1.00 0.00 H new ATOM 565 N THR A 38 62.340 8.389 -1.446 1.00 0.00 N ATOM 566 CA THR A 38 62.622 8.134 -0.005 1.00 0.00 C ATOM 567 C THR A 38 61.326 7.789 0.734 1.00 0.00 C ATOM 568 O THR A 38 61.318 6.994 1.653 1.00 0.00 O ATOM 569 CB THR A 38 63.208 9.444 0.522 1.00 0.00 C ATOM 570 OG1 THR A 38 62.500 10.539 -0.043 1.00 0.00 O ATOM 571 CG2 THR A 38 64.685 9.535 0.136 1.00 0.00 C ATOM 0 H THR A 38 62.783 9.222 -1.834 1.00 0.00 H new ATOM 0 HA THR A 38 63.303 7.296 0.141 1.00 0.00 H new ATOM 0 HB THR A 38 63.116 9.473 1.608 1.00 0.00 H new ATOM 0 HG1 THR A 38 62.874 11.380 0.295 1.00 0.00 H new ATOM 0 HG21 THR A 38 65.102 10.469 0.512 1.00 0.00 H new ATOM 0 HG22 THR A 38 65.227 8.695 0.570 1.00 0.00 H new ATOM 0 HG23 THR A 38 64.780 9.506 -0.949 1.00 0.00 H new ATOM 579 N LYS A 39 60.231 8.381 0.342 1.00 0.00 N ATOM 580 CA LYS A 39 58.939 8.087 1.025 1.00 0.00 C ATOM 581 C LYS A 39 58.401 6.723 0.581 1.00 0.00 C ATOM 582 O LYS A 39 57.511 6.167 1.193 1.00 0.00 O ATOM 583 CB LYS A 39 57.993 9.205 0.585 1.00 0.00 C ATOM 584 CG LYS A 39 58.255 10.456 1.426 1.00 0.00 C ATOM 585 CD LYS A 39 57.061 11.406 1.312 1.00 0.00 C ATOM 586 CE LYS A 39 56.905 12.194 2.617 1.00 0.00 C ATOM 587 NZ LYS A 39 57.518 13.522 2.340 1.00 0.00 N ATOM 0 H LYS A 39 60.175 9.055 -0.421 1.00 0.00 H new ATOM 0 HA LYS A 39 59.047 8.047 2.109 1.00 0.00 H new ATOM 0 HB2 LYS A 39 58.142 9.427 -0.472 1.00 0.00 H new ATOM 0 HB3 LYS A 39 56.957 8.886 0.701 1.00 0.00 H new ATOM 0 HG2 LYS A 39 58.415 10.180 2.468 1.00 0.00 H new ATOM 0 HG3 LYS A 39 59.163 10.953 1.085 1.00 0.00 H new ATOM 0 HD2 LYS A 39 57.207 12.091 0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 39 56.152 10.841 1.106 1.00 0.00 H new ATOM 0 HE2 LYS A 39 55.856 12.294 2.895 1.00 0.00 H new ATOM 0 HE3 LYS A 39 57.407 11.692 3.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 57.450 14.120 3.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 58.518 13.396 2.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 57.015 13.979 1.553 1.00 0.00 H new ATOM 601 N GLU A 40 58.934 6.180 -0.480 1.00 0.00 N ATOM 602 CA GLU A 40 58.450 4.853 -0.960 1.00 0.00 C ATOM 603 C GLU A 40 59.272 3.729 -0.325 1.00 0.00 C ATOM 604 O GLU A 40 58.761 2.670 -0.017 1.00 0.00 O ATOM 605 CB GLU A 40 58.655 4.880 -2.475 1.00 0.00 C ATOM 606 CG GLU A 40 57.761 5.957 -3.093 1.00 0.00 C ATOM 607 CD GLU A 40 56.318 5.453 -3.150 1.00 0.00 C ATOM 608 OE1 GLU A 40 56.127 4.303 -3.508 1.00 0.00 O ATOM 609 OE2 GLU A 40 55.428 6.226 -2.835 1.00 0.00 O ATOM 0 H GLU A 40 59.682 6.596 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 40 57.408 4.672 -0.694 1.00 0.00 H new ATOM 0 HB2 GLU A 40 59.700 5.083 -2.707 1.00 0.00 H new ATOM 0 HB3 GLU A 40 58.417 3.906 -2.902 1.00 0.00 H new ATOM 0 HG2 GLU A 40 57.815 6.872 -2.503 1.00 0.00 H new ATOM 0 HG3 GLU A 40 58.111 6.204 -4.095 1.00 0.00 H new ATOM 616 N LEU A 41 60.543 3.950 -0.127 1.00 0.00 N ATOM 617 CA LEU A 41 61.397 2.894 0.489 1.00 0.00 C ATOM 618 C LEU A 41 60.686 2.276 1.697 1.00 0.00 C ATOM 619 O LEU A 41 60.763 1.087 1.932 1.00 0.00 O ATOM 620 CB LEU A 41 62.668 3.622 0.929 1.00 0.00 C ATOM 621 CG LEU A 41 63.839 2.639 0.956 1.00 0.00 C ATOM 622 CD1 LEU A 41 65.132 3.394 1.271 1.00 0.00 C ATOM 623 CD2 LEU A 41 63.592 1.582 2.034 1.00 0.00 C ATOM 0 H LEU A 41 61.027 4.816 -0.365 1.00 0.00 H new ATOM 0 HA LEU A 41 61.612 2.080 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 41 62.885 4.442 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 41 62.525 4.060 1.917 1.00 0.00 H new ATOM 0 HG LEU A 41 63.928 2.154 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 41 65.967 2.693 1.290 1.00 0.00 H new ATOM 0 HD12 LEU A 41 65.309 4.148 0.504 1.00 0.00 H new ATOM 0 HD13 LEU A 41 65.043 3.879 2.243 1.00 0.00 H new ATOM 0 HD21 LEU A 41 64.426 0.881 2.054 1.00 0.00 H new ATOM 0 HD22 LEU A 41 63.503 2.067 3.006 1.00 0.00 H new ATOM 0 HD23 LEU A 41 62.671 1.044 1.811 1.00 0.00 H new ATOM 635 N GLY A 42 59.996 3.076 2.462 1.00 0.00 N ATOM 636 CA GLY A 42 59.282 2.536 3.654 1.00 0.00 C ATOM 637 C GLY A 42 58.552 1.246 3.276 1.00 0.00 C ATOM 638 O GLY A 42 58.864 0.179 3.765 1.00 0.00 O ATOM 0 H GLY A 42 59.895 4.080 2.314 1.00 0.00 H new ATOM 0 HA2 GLY A 42 59.992 2.342 4.458 1.00 0.00 H new ATOM 0 HA3 GLY A 42 58.570 3.272 4.028 1.00 0.00 H new ATOM 642 N LYS A 43 57.579 1.336 2.410 1.00 0.00 N ATOM 643 CA LYS A 43 56.827 0.114 2.005 1.00 0.00 C ATOM 644 C LYS A 43 57.792 -0.956 1.487 1.00 0.00 C ATOM 645 O LYS A 43 57.633 -2.130 1.755 1.00 0.00 O ATOM 646 CB LYS A 43 55.889 0.575 0.890 1.00 0.00 C ATOM 647 CG LYS A 43 54.438 0.341 1.314 1.00 0.00 C ATOM 648 CD LYS A 43 53.706 1.681 1.397 1.00 0.00 C ATOM 649 CE LYS A 43 52.953 1.771 2.727 1.00 0.00 C ATOM 650 NZ LYS A 43 51.772 2.633 2.442 1.00 0.00 N ATOM 0 H LYS A 43 57.273 2.202 1.966 1.00 0.00 H new ATOM 0 HA LYS A 43 56.282 -0.328 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.051 1.632 0.678 1.00 0.00 H new ATOM 0 HB3 LYS A 43 56.103 0.029 -0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 43 53.940 -0.313 0.598 1.00 0.00 H new ATOM 0 HG3 LYS A 43 54.407 -0.162 2.280 1.00 0.00 H new ATOM 0 HD2 LYS A 43 54.418 2.502 1.314 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.009 1.779 0.565 1.00 0.00 H new ATOM 0 HE2 LYS A 43 52.647 0.784 3.075 1.00 0.00 H new ATOM 0 HE3 LYS A 43 53.579 2.204 3.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 51.205 2.742 3.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 52.094 3.568 2.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 51.191 2.192 1.701 1.00 0.00 H new ATOM 664 N VAL A 44 58.793 -0.561 0.750 1.00 0.00 N ATOM 665 CA VAL A 44 59.767 -1.557 0.220 1.00 0.00 C ATOM 666 C VAL A 44 60.530 -2.211 1.377 1.00 0.00 C ATOM 667 O VAL A 44 60.840 -3.386 1.344 1.00 0.00 O ATOM 668 CB VAL A 44 60.714 -0.746 -0.669 1.00 0.00 C ATOM 669 CG1 VAL A 44 62.020 -1.515 -0.873 1.00 0.00 C ATOM 670 CG2 VAL A 44 60.052 -0.506 -2.028 1.00 0.00 C ATOM 0 H VAL A 44 58.979 0.408 0.492 1.00 0.00 H new ATOM 0 HA VAL A 44 59.284 -2.362 -0.333 1.00 0.00 H new ATOM 0 HB VAL A 44 60.929 0.209 -0.189 1.00 0.00 H new ATOM 0 HG11 VAL A 44 62.690 -0.933 -1.506 1.00 0.00 H new ATOM 0 HG12 VAL A 44 62.494 -1.689 0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 44 61.808 -2.471 -1.351 1.00 0.00 H new ATOM 0 HG21 VAL A 44 60.724 0.071 -2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 44 59.838 -1.464 -2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 44 59.122 0.046 -1.888 1.00 0.00 H new ATOM 680 N MET A 45 60.833 -1.460 2.399 1.00 0.00 N ATOM 681 CA MET A 45 61.575 -2.037 3.556 1.00 0.00 C ATOM 682 C MET A 45 60.748 -3.143 4.218 1.00 0.00 C ATOM 683 O MET A 45 61.218 -4.244 4.422 1.00 0.00 O ATOM 684 CB MET A 45 61.778 -0.868 4.519 1.00 0.00 C ATOM 685 CG MET A 45 63.133 -0.214 4.249 1.00 0.00 C ATOM 686 SD MET A 45 64.308 -0.709 5.534 1.00 0.00 S ATOM 687 CE MET A 45 65.533 0.589 5.232 1.00 0.00 C ATOM 0 H MET A 45 60.599 -0.471 2.484 1.00 0.00 H new ATOM 0 HA MET A 45 62.522 -2.487 3.256 1.00 0.00 H new ATOM 0 HB2 MET A 45 60.979 -0.138 4.395 1.00 0.00 H new ATOM 0 HB3 MET A 45 61.731 -1.220 5.550 1.00 0.00 H new ATOM 0 HG2 MET A 45 63.504 -0.512 3.268 1.00 0.00 H new ATOM 0 HG3 MET A 45 63.029 0.871 4.235 1.00 0.00 H new ATOM 0 HE1 MET A 45 66.511 0.136 5.071 1.00 0.00 H new ATOM 0 HE2 MET A 45 65.248 1.160 4.348 1.00 0.00 H new ATOM 0 HE3 MET A 45 65.579 1.254 6.095 1.00 0.00 H new ATOM 697 N ARG A 46 59.520 -2.857 4.558 1.00 0.00 N ATOM 698 CA ARG A 46 58.666 -3.893 5.208 1.00 0.00 C ATOM 699 C ARG A 46 58.119 -4.865 4.160 1.00 0.00 C ATOM 700 O ARG A 46 57.470 -5.840 4.484 1.00 0.00 O ATOM 701 CB ARG A 46 57.527 -3.113 5.864 1.00 0.00 C ATOM 702 CG ARG A 46 56.857 -2.215 4.822 1.00 0.00 C ATOM 703 CD ARG A 46 55.351 -2.161 5.087 1.00 0.00 C ATOM 704 NE ARG A 46 54.749 -3.059 4.063 1.00 0.00 N ATOM 705 CZ ARG A 46 53.516 -3.465 4.197 1.00 0.00 C ATOM 706 NH1 ARG A 46 52.568 -2.602 4.441 1.00 0.00 N ATOM 707 NH2 ARG A 46 53.230 -4.733 4.087 1.00 0.00 N ATOM 0 H ARG A 46 59.072 -1.952 4.414 1.00 0.00 H new ATOM 0 HA ARG A 46 59.221 -4.490 5.932 1.00 0.00 H new ATOM 0 HB2 ARG A 46 56.797 -3.802 6.289 1.00 0.00 H new ATOM 0 HB3 ARG A 46 57.912 -2.510 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 46 57.281 -1.212 4.865 1.00 0.00 H new ATOM 0 HG3 ARG A 46 57.047 -2.599 3.820 1.00 0.00 H new ATOM 0 HD2 ARG A 46 55.115 -2.499 6.096 1.00 0.00 H new ATOM 0 HD3 ARG A 46 54.970 -1.144 4.994 1.00 0.00 H new ATOM 0 HE ARG A 46 55.300 -3.356 3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 46 52.791 -1.610 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 46 51.604 -2.919 4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 46 53.970 -5.408 3.896 1.00 0.00 H new ATOM 0 HH22 ARG A 46 52.266 -5.049 4.192 1.00 0.00 H new ATOM 721 N MET A 47 58.377 -4.610 2.907 1.00 0.00 N ATOM 722 CA MET A 47 57.873 -5.527 1.845 1.00 0.00 C ATOM 723 C MET A 47 58.824 -6.713 1.694 1.00 0.00 C ATOM 724 O MET A 47 58.436 -7.791 1.288 1.00 0.00 O ATOM 725 CB MET A 47 57.850 -4.686 0.567 1.00 0.00 C ATOM 726 CG MET A 47 56.428 -4.183 0.313 1.00 0.00 C ATOM 727 SD MET A 47 55.393 -5.555 -0.254 1.00 0.00 S ATOM 728 CE MET A 47 56.080 -5.680 -1.924 1.00 0.00 C ATOM 0 H MET A 47 58.913 -3.809 2.573 1.00 0.00 H new ATOM 0 HA MET A 47 56.888 -5.932 2.076 1.00 0.00 H new ATOM 0 HB2 MET A 47 58.534 -3.843 0.662 1.00 0.00 H new ATOM 0 HB3 MET A 47 58.193 -5.281 -0.279 1.00 0.00 H new ATOM 0 HG2 MET A 47 56.014 -3.755 1.226 1.00 0.00 H new ATOM 0 HG3 MET A 47 56.440 -3.390 -0.434 1.00 0.00 H new ATOM 0 HE1 MET A 47 55.275 -5.602 -2.655 1.00 0.00 H new ATOM 0 HE2 MET A 47 56.796 -4.874 -2.084 1.00 0.00 H new ATOM 0 HE3 MET A 47 56.583 -6.640 -2.040 1.00 0.00 H new ATOM 738 N LEU A 48 60.068 -6.518 2.023 1.00 0.00 N ATOM 739 CA LEU A 48 61.056 -7.624 1.912 1.00 0.00 C ATOM 740 C LEU A 48 61.272 -8.251 3.292 1.00 0.00 C ATOM 741 O LEU A 48 61.574 -9.421 3.416 1.00 0.00 O ATOM 742 CB LEU A 48 62.330 -6.945 1.391 1.00 0.00 C ATOM 743 CG LEU A 48 63.579 -7.753 1.766 1.00 0.00 C ATOM 744 CD1 LEU A 48 63.939 -7.491 3.230 1.00 0.00 C ATOM 745 CD2 LEU A 48 63.324 -9.249 1.555 1.00 0.00 C ATOM 0 H LEU A 48 60.445 -5.635 2.366 1.00 0.00 H new ATOM 0 HA LEU A 48 60.737 -8.430 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 62.273 -6.840 0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 48 62.405 -5.940 1.805 1.00 0.00 H new ATOM 0 HG LEU A 48 64.407 -7.444 1.128 1.00 0.00 H new ATOM 0 HD11 LEU A 48 64.826 -8.066 3.495 1.00 0.00 H new ATOM 0 HD12 LEU A 48 64.139 -6.429 3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 48 63.108 -7.792 3.868 1.00 0.00 H new ATOM 0 HD21 LEU A 48 64.218 -9.812 1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 48 62.491 -9.568 2.182 1.00 0.00 H new ATOM 0 HD23 LEU A 48 63.081 -9.433 0.508 1.00 0.00 H new ATOM 757 N GLY A 49 61.111 -7.480 4.333 1.00 0.00 N ATOM 758 CA GLY A 49 61.301 -8.032 5.705 1.00 0.00 C ATOM 759 C GLY A 49 61.504 -6.887 6.700 1.00 0.00 C ATOM 760 O GLY A 49 60.648 -6.603 7.514 1.00 0.00 O ATOM 0 H GLY A 49 60.856 -6.493 4.293 1.00 0.00 H new ATOM 0 HA2 GLY A 49 60.433 -8.626 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 49 62.163 -8.699 5.723 1.00 0.00 H new ATOM 764 N GLN A 50 62.631 -6.230 6.644 1.00 0.00 N ATOM 765 CA GLN A 50 62.887 -5.106 7.592 1.00 0.00 C ATOM 766 C GLN A 50 61.635 -4.235 7.731 1.00 0.00 C ATOM 767 O GLN A 50 61.063 -3.792 6.754 1.00 0.00 O ATOM 768 CB GLN A 50 64.031 -4.308 6.963 1.00 0.00 C ATOM 769 CG GLN A 50 65.370 -4.894 7.413 1.00 0.00 C ATOM 770 CD GLN A 50 65.468 -4.829 8.939 1.00 0.00 C ATOM 771 OE1 GLN A 50 65.164 -5.789 9.620 1.00 0.00 O ATOM 772 NE2 GLN A 50 65.881 -3.731 9.508 1.00 0.00 N ATOM 0 H GLN A 50 63.385 -6.422 5.984 1.00 0.00 H new ATOM 0 HA GLN A 50 63.140 -5.459 8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 50 63.955 -4.339 5.876 1.00 0.00 H new ATOM 0 HB3 GLN A 50 63.963 -3.261 7.258 1.00 0.00 H new ATOM 0 HG2 GLN A 50 65.459 -5.927 7.076 1.00 0.00 H new ATOM 0 HG3 GLN A 50 66.192 -4.339 6.961 1.00 0.00 H new ATOM 0 HE21 GLN A 50 66.136 -2.925 8.937 1.00 0.00 H new ATOM 0 HE22 GLN A 50 65.949 -3.678 10.524 1.00 0.00 H new ATOM 781 N ASN A 51 61.203 -3.987 8.938 1.00 0.00 N ATOM 782 CA ASN A 51 59.986 -3.149 9.137 1.00 0.00 C ATOM 783 C ASN A 51 60.281 -1.998 10.104 1.00 0.00 C ATOM 784 O ASN A 51 59.618 -1.849 11.111 1.00 0.00 O ATOM 785 CB ASN A 51 58.948 -4.099 9.735 1.00 0.00 C ATOM 786 CG ASN A 51 57.804 -4.298 8.740 1.00 0.00 C ATOM 787 OD1 ASN A 51 56.991 -3.418 8.547 1.00 0.00 O ATOM 788 ND2 ASN A 51 57.706 -5.429 8.094 1.00 0.00 N ATOM 0 H ASN A 51 61.640 -4.328 9.794 1.00 0.00 H new ATOM 0 HA ASN A 51 59.641 -2.697 8.207 1.00 0.00 H new ATOM 0 HB2 ASN A 51 59.410 -5.058 9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 51 58.564 -3.692 10.670 1.00 0.00 H new ATOM 0 HD21 ASN A 51 56.947 -5.572 7.428 1.00 0.00 H new ATOM 0 HD22 ASN A 51 58.389 -6.169 8.255 1.00 0.00 H new ATOM 795 N PRO A 52 61.270 -1.220 9.759 1.00 0.00 N ATOM 796 CA PRO A 52 61.662 -0.063 10.603 1.00 0.00 C ATOM 797 C PRO A 52 60.630 1.062 10.479 1.00 0.00 C ATOM 798 O PRO A 52 59.511 0.848 10.058 1.00 0.00 O ATOM 799 CB PRO A 52 63.005 0.365 10.018 1.00 0.00 C ATOM 800 CG PRO A 52 62.982 -0.114 8.602 1.00 0.00 C ATOM 801 CD PRO A 52 62.109 -1.343 8.563 1.00 0.00 C ATOM 0 HA PRO A 52 61.721 -0.305 11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 52 63.130 1.447 10.066 1.00 0.00 H new ATOM 0 HB3 PRO A 52 63.835 -0.076 10.570 1.00 0.00 H new ATOM 0 HG2 PRO A 52 62.589 0.658 7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 52 63.990 -0.346 8.258 1.00 0.00 H new ATOM 0 HD2 PRO A 52 61.507 -1.376 7.655 1.00 0.00 H new ATOM 0 HD3 PRO A 52 62.704 -2.256 8.585 1.00 0.00 H new ATOM 809 N THR A 53 60.997 2.261 10.843 1.00 0.00 N ATOM 810 CA THR A 53 60.035 3.398 10.745 1.00 0.00 C ATOM 811 C THR A 53 60.504 4.397 9.683 1.00 0.00 C ATOM 812 O THR A 53 61.681 4.488 9.393 1.00 0.00 O ATOM 813 CB THR A 53 60.041 4.045 12.132 1.00 0.00 C ATOM 814 OG1 THR A 53 59.334 5.276 12.080 1.00 0.00 O ATOM 815 CG2 THR A 53 61.482 4.300 12.575 1.00 0.00 C ATOM 0 H THR A 53 61.920 2.503 11.204 1.00 0.00 H new ATOM 0 HA THR A 53 59.037 3.071 10.454 1.00 0.00 H new ATOM 0 HB THR A 53 59.559 3.377 12.846 1.00 0.00 H new ATOM 0 HG1 THR A 53 59.335 5.692 12.968 1.00 0.00 H new ATOM 0 HG21 THR A 53 61.483 4.761 13.563 1.00 0.00 H new ATOM 0 HG22 THR A 53 62.023 3.355 12.615 1.00 0.00 H new ATOM 0 HG23 THR A 53 61.969 4.967 11.863 1.00 0.00 H new ATOM 823 N PRO A 54 59.561 5.115 9.137 1.00 0.00 N ATOM 824 CA PRO A 54 59.875 6.120 8.092 1.00 0.00 C ATOM 825 C PRO A 54 60.567 7.341 8.709 1.00 0.00 C ATOM 826 O PRO A 54 61.406 7.966 8.092 1.00 0.00 O ATOM 827 CB PRO A 54 58.506 6.496 7.534 1.00 0.00 C ATOM 828 CG PRO A 54 57.540 6.192 8.636 1.00 0.00 C ATOM 829 CD PRO A 54 58.126 5.059 9.439 1.00 0.00 C ATOM 0 HA PRO A 54 60.554 5.743 7.327 1.00 0.00 H new ATOM 0 HB2 PRO A 54 58.469 7.549 7.257 1.00 0.00 H new ATOM 0 HB3 PRO A 54 58.274 5.922 6.637 1.00 0.00 H new ATOM 0 HG2 PRO A 54 57.384 7.069 9.264 1.00 0.00 H new ATOM 0 HG3 PRO A 54 56.568 5.914 8.230 1.00 0.00 H new ATOM 0 HD2 PRO A 54 57.937 5.186 10.505 1.00 0.00 H new ATOM 0 HD3 PRO A 54 57.695 4.100 9.151 1.00 0.00 H new ATOM 837 N GLU A 55 60.223 7.683 9.920 1.00 0.00 N ATOM 838 CA GLU A 55 60.864 8.862 10.572 1.00 0.00 C ATOM 839 C GLU A 55 62.385 8.692 10.597 1.00 0.00 C ATOM 840 O GLU A 55 63.128 9.650 10.516 1.00 0.00 O ATOM 841 CB GLU A 55 60.302 8.884 11.993 1.00 0.00 C ATOM 842 CG GLU A 55 59.655 10.245 12.266 1.00 0.00 C ATOM 843 CD GLU A 55 59.356 10.378 13.759 1.00 0.00 C ATOM 844 OE1 GLU A 55 60.285 10.630 14.509 1.00 0.00 O ATOM 845 OE2 GLU A 55 58.204 10.227 14.129 1.00 0.00 O ATOM 0 H GLU A 55 59.527 7.198 10.486 1.00 0.00 H new ATOM 0 HA GLU A 55 60.659 9.790 10.039 1.00 0.00 H new ATOM 0 HB2 GLU A 55 59.567 8.089 12.117 1.00 0.00 H new ATOM 0 HB3 GLU A 55 61.098 8.697 12.713 1.00 0.00 H new ATOM 0 HG2 GLU A 55 60.320 11.047 11.945 1.00 0.00 H new ATOM 0 HG3 GLU A 55 58.735 10.344 11.690 1.00 0.00 H new ATOM 852 N GLU A 56 62.853 7.479 10.711 1.00 0.00 N ATOM 853 CA GLU A 56 64.327 7.249 10.743 1.00 0.00 C ATOM 854 C GLU A 56 64.921 7.435 9.345 1.00 0.00 C ATOM 855 O GLU A 56 65.895 8.138 9.162 1.00 0.00 O ATOM 856 CB GLU A 56 64.492 5.802 11.207 1.00 0.00 C ATOM 857 CG GLU A 56 64.637 5.768 12.729 1.00 0.00 C ATOM 858 CD GLU A 56 65.840 6.618 13.145 1.00 0.00 C ATOM 859 OE1 GLU A 56 66.950 6.120 13.062 1.00 0.00 O ATOM 860 OE2 GLU A 56 65.629 7.754 13.541 1.00 0.00 O ATOM 0 H GLU A 56 62.280 6.638 10.783 1.00 0.00 H new ATOM 0 HA GLU A 56 64.840 7.949 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 63.630 5.210 10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 56 65.369 5.356 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 63.730 6.147 13.200 1.00 0.00 H new ATOM 0 HG3 GLU A 56 64.768 4.741 13.070 1.00 0.00 H new ATOM 867 N LEU A 57 64.344 6.807 8.357 1.00 0.00 N ATOM 868 CA LEU A 57 64.879 6.947 6.971 1.00 0.00 C ATOM 869 C LEU A 57 65.239 8.407 6.690 1.00 0.00 C ATOM 870 O LEU A 57 66.343 8.719 6.290 1.00 0.00 O ATOM 871 CB LEU A 57 63.740 6.490 6.060 1.00 0.00 C ATOM 872 CG LEU A 57 64.134 5.188 5.363 1.00 0.00 C ATOM 873 CD1 LEU A 57 64.327 4.088 6.408 1.00 0.00 C ATOM 874 CD2 LEU A 57 63.026 4.776 4.391 1.00 0.00 C ATOM 0 H LEU A 57 63.527 6.204 8.448 1.00 0.00 H new ATOM 0 HA LEU A 57 65.785 6.361 6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 57 62.831 6.342 6.643 1.00 0.00 H new ATOM 0 HB3 LEU A 57 63.522 7.259 5.319 1.00 0.00 H new ATOM 0 HG LEU A 57 65.064 5.337 4.815 1.00 0.00 H new ATOM 0 HD11 LEU A 57 64.608 3.159 5.911 1.00 0.00 H new ATOM 0 HD12 LEU A 57 65.114 4.380 7.103 1.00 0.00 H new ATOM 0 HD13 LEU A 57 63.396 3.939 6.956 1.00 0.00 H new ATOM 0 HD21 LEU A 57 63.306 3.848 3.893 1.00 0.00 H new ATOM 0 HD22 LEU A 57 62.097 4.627 4.941 1.00 0.00 H new ATOM 0 HD23 LEU A 57 62.886 5.559 3.646 1.00 0.00 H new ATOM 886 N GLN A 58 64.316 9.306 6.896 1.00 0.00 N ATOM 887 CA GLN A 58 64.606 10.746 6.641 1.00 0.00 C ATOM 888 C GLN A 58 65.812 11.195 7.470 1.00 0.00 C ATOM 889 O GLN A 58 66.538 12.093 7.091 1.00 0.00 O ATOM 890 CB GLN A 58 63.344 11.488 7.082 1.00 0.00 C ATOM 891 CG GLN A 58 63.553 12.995 6.922 1.00 0.00 C ATOM 892 CD GLN A 58 63.929 13.308 5.473 1.00 0.00 C ATOM 893 OE1 GLN A 58 63.583 12.476 4.528 1.00 0.00 O flip ATOM 894 NE2 GLN A 58 64.542 14.320 5.197 1.00 0.00 N flip ATOM 0 H GLN A 58 63.373 9.106 7.230 1.00 0.00 H new ATOM 0 HA GLN A 58 64.848 10.941 5.596 1.00 0.00 H new ATOM 0 HB2 GLN A 58 62.492 11.163 6.485 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.115 11.251 8.121 1.00 0.00 H new ATOM 0 HG2 GLN A 58 62.644 13.530 7.196 1.00 0.00 H new ATOM 0 HG3 GLN A 58 64.339 13.337 7.595 1.00 0.00 H new ATOM 0 HE21 GLN A 58 64.812 14.970 5.935 1.00 0.00 H new ATOM 0 HE22 GLN A 58 64.786 14.520 4.227 1.00 0.00 H new ATOM 903 N GLU A 59 66.030 10.579 8.600 1.00 0.00 N ATOM 904 CA GLU A 59 67.189 10.970 9.453 1.00 0.00 C ATOM 905 C GLU A 59 68.483 10.373 8.892 1.00 0.00 C ATOM 906 O GLU A 59 69.561 10.623 9.393 1.00 0.00 O ATOM 907 CB GLU A 59 66.880 10.385 10.832 1.00 0.00 C ATOM 908 CG GLU A 59 68.064 10.634 11.769 1.00 0.00 C ATOM 909 CD GLU A 59 67.579 10.611 13.219 1.00 0.00 C ATOM 910 OE1 GLU A 59 67.421 9.526 13.754 1.00 0.00 O ATOM 911 OE2 GLU A 59 67.374 11.680 13.771 1.00 0.00 O ATOM 0 H GLU A 59 65.456 9.822 8.970 1.00 0.00 H new ATOM 0 HA GLU A 59 67.329 12.050 9.491 1.00 0.00 H new ATOM 0 HB2 GLU A 59 65.978 10.842 11.239 1.00 0.00 H new ATOM 0 HB3 GLU A 59 66.686 9.316 10.750 1.00 0.00 H new ATOM 0 HG2 GLU A 59 68.828 9.872 11.618 1.00 0.00 H new ATOM 0 HG3 GLU A 59 68.524 11.596 11.543 1.00 0.00 H new ATOM 918 N MET A 60 68.382 9.586 7.857 1.00 0.00 N ATOM 919 CA MET A 60 69.604 8.971 7.264 1.00 0.00 C ATOM 920 C MET A 60 69.747 9.392 5.799 1.00 0.00 C ATOM 921 O MET A 60 70.835 9.457 5.264 1.00 0.00 O ATOM 922 CB MET A 60 69.377 7.463 7.370 1.00 0.00 C ATOM 923 CG MET A 60 69.517 7.026 8.828 1.00 0.00 C ATOM 924 SD MET A 60 68.769 5.392 9.042 1.00 0.00 S ATOM 925 CE MET A 60 69.494 4.617 7.576 1.00 0.00 C ATOM 0 H MET A 60 67.506 9.342 7.395 1.00 0.00 H new ATOM 0 HA MET A 60 70.515 9.283 7.774 1.00 0.00 H new ATOM 0 HB2 MET A 60 68.386 7.207 6.996 1.00 0.00 H new ATOM 0 HB3 MET A 60 70.099 6.932 6.749 1.00 0.00 H new ATOM 0 HG2 MET A 60 70.569 6.996 9.110 1.00 0.00 H new ATOM 0 HG3 MET A 60 69.032 7.749 9.484 1.00 0.00 H new ATOM 0 HE1 MET A 60 69.450 3.533 7.678 1.00 0.00 H new ATOM 0 HE2 MET A 60 68.936 4.921 6.690 1.00 0.00 H new ATOM 0 HE3 MET A 60 70.533 4.930 7.476 1.00 0.00 H new ATOM 935 N ILE A 61 68.653 9.676 5.146 1.00 0.00 N ATOM 936 CA ILE A 61 68.720 10.092 3.717 1.00 0.00 C ATOM 937 C ILE A 61 69.267 11.518 3.605 1.00 0.00 C ATOM 938 O ILE A 61 69.957 11.857 2.664 1.00 0.00 O ATOM 939 CB ILE A 61 67.275 10.029 3.223 1.00 0.00 C ATOM 940 CG1 ILE A 61 66.806 8.572 3.209 1.00 0.00 C ATOM 941 CG2 ILE A 61 67.188 10.604 1.808 1.00 0.00 C ATOM 942 CD1 ILE A 61 65.335 8.505 3.626 1.00 0.00 C ATOM 0 H ILE A 61 67.714 9.638 5.542 1.00 0.00 H new ATOM 0 HA ILE A 61 69.381 9.455 3.130 1.00 0.00 H new ATOM 0 HB ILE A 61 66.640 10.612 3.889 1.00 0.00 H new ATOM 0 HG12 ILE A 61 66.932 8.148 2.213 1.00 0.00 H new ATOM 0 HG13 ILE A 61 67.415 7.976 3.889 1.00 0.00 H new ATOM 0 HG21 ILE A 61 66.156 10.557 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 67.522 11.642 1.816 1.00 0.00 H new ATOM 0 HG23 ILE A 61 67.824 10.023 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 61 65.001 7.468 3.616 1.00 0.00 H new ATOM 0 HD12 ILE A 61 65.223 8.913 4.631 1.00 0.00 H new ATOM 0 HD13 ILE A 61 64.732 9.087 2.929 1.00 0.00 H new ATOM 954 N ASP A 62 68.963 12.357 4.558 1.00 0.00 N ATOM 955 CA ASP A 62 69.464 13.761 4.505 1.00 0.00 C ATOM 956 C ASP A 62 70.982 13.775 4.298 1.00 0.00 C ATOM 957 O ASP A 62 71.506 14.556 3.530 1.00 0.00 O ATOM 958 CB ASP A 62 69.104 14.361 5.863 1.00 0.00 C ATOM 959 CG ASP A 62 69.597 13.435 6.977 1.00 0.00 C ATOM 960 OD1 ASP A 62 69.036 12.361 7.119 1.00 0.00 O ATOM 961 OD2 ASP A 62 70.527 13.815 7.668 1.00 0.00 O ATOM 0 H ASP A 62 68.390 12.131 5.371 1.00 0.00 H new ATOM 0 HA ASP A 62 69.026 14.324 3.681 1.00 0.00 H new ATOM 0 HB2 ASP A 62 69.557 15.347 5.968 1.00 0.00 H new ATOM 0 HB3 ASP A 62 68.025 14.496 5.938 1.00 0.00 H new ATOM 966 N GLU A 63 71.691 12.916 4.978 1.00 0.00 N ATOM 967 CA GLU A 63 73.174 12.882 4.819 1.00 0.00 C ATOM 968 C GLU A 63 73.575 11.789 3.824 1.00 0.00 C ATOM 969 O GLU A 63 74.657 11.806 3.273 1.00 0.00 O ATOM 970 CB GLU A 63 73.714 12.561 6.214 1.00 0.00 C ATOM 971 CG GLU A 63 73.054 11.284 6.736 1.00 0.00 C ATOM 972 CD GLU A 63 74.102 10.412 7.430 1.00 0.00 C ATOM 973 OE1 GLU A 63 75.181 10.918 7.696 1.00 0.00 O ATOM 974 OE2 GLU A 63 73.809 9.256 7.684 1.00 0.00 O ATOM 0 H GLU A 63 71.309 12.237 5.636 1.00 0.00 H new ATOM 0 HA GLU A 63 73.570 13.822 4.434 1.00 0.00 H new ATOM 0 HB2 GLU A 63 74.796 12.434 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 63 73.514 13.390 6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 63 72.255 11.535 7.434 1.00 0.00 H new ATOM 0 HG3 GLU A 63 72.598 10.735 5.912 1.00 0.00 H new ATOM 981 N VAL A 64 72.710 10.839 3.593 1.00 0.00 N ATOM 982 CA VAL A 64 73.042 9.745 2.634 1.00 0.00 C ATOM 983 C VAL A 64 72.739 10.187 1.199 1.00 0.00 C ATOM 984 O VAL A 64 73.419 9.810 0.267 1.00 0.00 O ATOM 985 CB VAL A 64 72.141 8.579 3.042 1.00 0.00 C ATOM 986 CG1 VAL A 64 72.079 7.556 1.906 1.00 0.00 C ATOM 987 CG2 VAL A 64 72.710 7.911 4.296 1.00 0.00 C ATOM 0 H VAL A 64 71.789 10.772 4.026 1.00 0.00 H new ATOM 0 HA VAL A 64 74.097 9.474 2.663 1.00 0.00 H new ATOM 0 HB VAL A 64 71.138 8.952 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.436 6.726 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 64 71.675 8.030 1.011 1.00 0.00 H new ATOM 0 HG13 VAL A 64 73.082 7.183 1.697 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.069 7.079 4.588 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.713 7.539 4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 64 72.754 8.638 5.107 1.00 0.00 H new ATOM 997 N ASP A 65 71.721 10.984 1.016 1.00 0.00 N ATOM 998 CA ASP A 65 71.376 11.448 -0.358 1.00 0.00 C ATOM 999 C ASP A 65 72.591 12.108 -1.014 1.00 0.00 C ATOM 1000 O ASP A 65 72.767 13.309 -0.951 1.00 0.00 O ATOM 1001 CB ASP A 65 70.252 12.465 -0.162 1.00 0.00 C ATOM 1002 CG ASP A 65 70.770 13.650 0.656 1.00 0.00 C ATOM 1003 OD1 ASP A 65 71.856 13.539 1.199 1.00 0.00 O ATOM 1004 OD2 ASP A 65 70.071 14.647 0.725 1.00 0.00 O ATOM 0 H ASP A 65 71.114 11.333 1.758 1.00 0.00 H new ATOM 0 HA ASP A 65 71.073 10.627 -1.008 1.00 0.00 H new ATOM 0 HB2 ASP A 65 69.887 12.810 -1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 65 69.410 11.998 0.349 1.00 0.00 H new ATOM 1009 N GLU A 66 73.430 11.333 -1.645 1.00 0.00 N ATOM 1010 CA GLU A 66 74.633 11.916 -2.305 1.00 0.00 C ATOM 1011 C GLU A 66 74.233 12.639 -3.594 1.00 0.00 C ATOM 1012 O GLU A 66 74.779 13.669 -3.935 1.00 0.00 O ATOM 1013 CB GLU A 66 75.530 10.718 -2.619 1.00 0.00 C ATOM 1014 CG GLU A 66 76.968 11.033 -2.201 1.00 0.00 C ATOM 1015 CD GLU A 66 77.859 11.095 -3.444 1.00 0.00 C ATOM 1016 OE1 GLU A 66 77.473 11.756 -4.393 1.00 0.00 O ATOM 1017 OE2 GLU A 66 78.914 10.482 -3.424 1.00 0.00 O ATOM 0 H GLU A 66 73.335 10.321 -1.732 1.00 0.00 H new ATOM 0 HA GLU A 66 75.136 12.649 -1.674 1.00 0.00 H new ATOM 0 HB2 GLU A 66 75.172 9.834 -2.091 1.00 0.00 H new ATOM 0 HB3 GLU A 66 75.491 10.491 -3.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 77.003 11.983 -1.668 1.00 0.00 H new ATOM 0 HG3 GLU A 66 77.334 10.269 -1.516 1.00 0.00 H new ATOM 1024 N ASP A 67 73.284 12.106 -4.314 1.00 0.00 N ATOM 1025 CA ASP A 67 72.851 12.762 -5.581 1.00 0.00 C ATOM 1026 C ASP A 67 71.458 12.272 -5.984 1.00 0.00 C ATOM 1027 O ASP A 67 71.198 11.989 -7.136 1.00 0.00 O ATOM 1028 CB ASP A 67 73.889 12.338 -6.620 1.00 0.00 C ATOM 1029 CG ASP A 67 73.779 13.242 -7.849 1.00 0.00 C ATOM 1030 OD1 ASP A 67 73.969 14.437 -7.699 1.00 0.00 O ATOM 1031 OD2 ASP A 67 73.508 12.722 -8.920 1.00 0.00 O ATOM 0 H ASP A 67 72.790 11.245 -4.080 1.00 0.00 H new ATOM 0 HA ASP A 67 72.789 13.846 -5.484 1.00 0.00 H new ATOM 0 HB2 ASP A 67 74.891 12.403 -6.196 1.00 0.00 H new ATOM 0 HB3 ASP A 67 73.730 11.298 -6.905 1.00 0.00 H new ATOM 1036 N GLY A 68 70.559 12.169 -5.044 1.00 0.00 N ATOM 1037 CA GLY A 68 69.186 11.697 -5.377 1.00 0.00 C ATOM 1038 C GLY A 68 68.170 12.789 -5.036 1.00 0.00 C ATOM 1039 O GLY A 68 67.179 12.962 -5.716 1.00 0.00 O ATOM 0 H GLY A 68 70.716 12.391 -4.061 1.00 0.00 H new ATOM 0 HA2 GLY A 68 69.124 11.446 -6.436 1.00 0.00 H new ATOM 0 HA3 GLY A 68 68.958 10.788 -4.820 1.00 0.00 H new ATOM 1043 N SER A 69 68.409 13.525 -3.985 1.00 0.00 N ATOM 1044 CA SER A 69 67.455 14.606 -3.599 1.00 0.00 C ATOM 1045 C SER A 69 66.120 13.998 -3.163 1.00 0.00 C ATOM 1046 O SER A 69 65.079 14.613 -3.284 1.00 0.00 O ATOM 1047 CB SER A 69 67.275 15.447 -4.861 1.00 0.00 C ATOM 1048 OG SER A 69 66.946 16.780 -4.493 1.00 0.00 O ATOM 0 H SER A 69 69.222 13.426 -3.377 1.00 0.00 H new ATOM 0 HA SER A 69 67.822 15.202 -2.763 1.00 0.00 H new ATOM 0 HB2 SER A 69 68.190 15.436 -5.453 1.00 0.00 H new ATOM 0 HB3 SER A 69 66.487 15.024 -5.484 1.00 0.00 H new ATOM 0 HG SER A 69 66.831 17.323 -5.300 1.00 0.00 H new ATOM 1054 N GLY A 70 66.143 12.797 -2.656 1.00 0.00 N ATOM 1055 CA GLY A 70 64.875 12.151 -2.213 1.00 0.00 C ATOM 1056 C GLY A 70 64.624 10.890 -3.041 1.00 0.00 C ATOM 1057 O GLY A 70 63.530 10.363 -3.071 1.00 0.00 O ATOM 0 H GLY A 70 66.984 12.235 -2.529 1.00 0.00 H new ATOM 0 HA2 GLY A 70 64.935 11.897 -1.155 1.00 0.00 H new ATOM 0 HA3 GLY A 70 64.042 12.845 -2.328 1.00 0.00 H new ATOM 1061 N THR A 71 65.629 10.402 -3.716 1.00 0.00 N ATOM 1062 CA THR A 71 65.444 9.175 -4.543 1.00 0.00 C ATOM 1063 C THR A 71 66.686 8.284 -4.459 1.00 0.00 C ATOM 1064 O THR A 71 67.795 8.722 -4.695 1.00 0.00 O ATOM 1065 CB THR A 71 65.248 9.685 -5.971 1.00 0.00 C ATOM 1066 OG1 THR A 71 66.386 10.438 -6.364 1.00 0.00 O ATOM 1067 CG2 THR A 71 64.001 10.568 -6.033 1.00 0.00 C ATOM 0 H THR A 71 66.569 10.799 -3.731 1.00 0.00 H new ATOM 0 HA THR A 71 64.600 8.574 -4.204 1.00 0.00 H new ATOM 0 HB THR A 71 65.123 8.838 -6.646 1.00 0.00 H new ATOM 0 HG1 THR A 71 66.309 11.352 -6.018 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.862 10.931 -7.051 1.00 0.00 H new ATOM 0 HG22 THR A 71 63.129 9.987 -5.733 1.00 0.00 H new ATOM 0 HG23 THR A 71 64.122 11.416 -5.359 1.00 0.00 H new ATOM 1075 N VAL A 72 66.507 7.035 -4.125 1.00 0.00 N ATOM 1076 CA VAL A 72 67.678 6.114 -4.025 1.00 0.00 C ATOM 1077 C VAL A 72 67.620 5.036 -5.106 1.00 0.00 C ATOM 1078 O VAL A 72 66.566 4.670 -5.584 1.00 0.00 O ATOM 1079 CB VAL A 72 67.584 5.462 -2.643 1.00 0.00 C ATOM 1080 CG1 VAL A 72 68.185 6.401 -1.604 1.00 0.00 C ATOM 1081 CG2 VAL A 72 66.122 5.177 -2.286 1.00 0.00 C ATOM 0 H VAL A 72 65.603 6.612 -3.917 1.00 0.00 H new ATOM 0 HA VAL A 72 68.613 6.658 -4.161 1.00 0.00 H new ATOM 0 HB VAL A 72 68.133 4.520 -2.656 1.00 0.00 H new ATOM 0 HG11 VAL A 72 68.121 5.941 -0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 72 69.230 6.592 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 72 67.635 7.342 -1.602 1.00 0.00 H new ATOM 0 HG21 VAL A 72 66.072 4.714 -1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 72 65.561 6.111 -2.276 1.00 0.00 H new ATOM 0 HG23 VAL A 72 65.691 4.503 -3.026 1.00 0.00 H new ATOM 1091 N ASP A 73 68.755 4.514 -5.477 1.00 0.00 N ATOM 1092 CA ASP A 73 68.788 3.442 -6.508 1.00 0.00 C ATOM 1093 C ASP A 73 69.298 2.148 -5.870 1.00 0.00 C ATOM 1094 O ASP A 73 69.453 2.062 -4.668 1.00 0.00 O ATOM 1095 CB ASP A 73 69.764 3.942 -7.573 1.00 0.00 C ATOM 1096 CG ASP A 73 71.024 4.485 -6.898 1.00 0.00 C ATOM 1097 OD1 ASP A 73 71.660 3.731 -6.180 1.00 0.00 O ATOM 1098 OD2 ASP A 73 71.332 5.647 -7.108 1.00 0.00 O ATOM 0 H ASP A 73 69.666 4.786 -5.108 1.00 0.00 H new ATOM 0 HA ASP A 73 67.807 3.233 -6.935 1.00 0.00 H new ATOM 0 HB2 ASP A 73 70.024 3.130 -8.252 1.00 0.00 H new ATOM 0 HB3 ASP A 73 69.295 4.722 -8.173 1.00 0.00 H new ATOM 1103 N PHE A 74 69.566 1.144 -6.655 1.00 0.00 N ATOM 1104 CA PHE A 74 70.068 -0.130 -6.068 1.00 0.00 C ATOM 1105 C PHE A 74 71.474 0.075 -5.501 1.00 0.00 C ATOM 1106 O PHE A 74 71.990 -0.753 -4.777 1.00 0.00 O ATOM 1107 CB PHE A 74 70.091 -1.123 -7.230 1.00 0.00 C ATOM 1108 CG PHE A 74 70.062 -2.533 -6.691 1.00 0.00 C ATOM 1109 CD1 PHE A 74 68.861 -3.078 -6.223 1.00 0.00 C ATOM 1110 CD2 PHE A 74 71.236 -3.294 -6.658 1.00 0.00 C ATOM 1111 CE1 PHE A 74 68.834 -4.385 -5.722 1.00 0.00 C ATOM 1112 CE2 PHE A 74 71.209 -4.601 -6.157 1.00 0.00 C ATOM 1113 CZ PHE A 74 70.009 -5.147 -5.690 1.00 0.00 C ATOM 0 H PHE A 74 69.461 1.148 -7.670 1.00 0.00 H new ATOM 0 HA PHE A 74 69.443 -0.485 -5.248 1.00 0.00 H new ATOM 0 HB2 PHE A 74 69.234 -0.955 -7.883 1.00 0.00 H new ATOM 0 HB3 PHE A 74 70.986 -0.972 -7.833 1.00 0.00 H new ATOM 0 HD1 PHE A 74 67.955 -2.490 -6.248 1.00 0.00 H new ATOM 0 HD2 PHE A 74 72.163 -2.873 -7.019 1.00 0.00 H new ATOM 0 HE1 PHE A 74 67.907 -4.806 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 74 72.115 -5.188 -6.131 1.00 0.00 H new ATOM 0 HZ PHE A 74 69.988 -6.156 -5.305 1.00 0.00 H new ATOM 1123 N ASP A 75 72.098 1.174 -5.824 1.00 0.00 N ATOM 1124 CA ASP A 75 73.470 1.436 -5.303 1.00 0.00 C ATOM 1125 C ASP A 75 73.395 2.126 -3.937 1.00 0.00 C ATOM 1126 O ASP A 75 74.198 1.877 -3.060 1.00 0.00 O ATOM 1127 CB ASP A 75 74.117 2.355 -6.339 1.00 0.00 C ATOM 1128 CG ASP A 75 75.639 2.207 -6.273 1.00 0.00 C ATOM 1129 OD1 ASP A 75 76.143 1.232 -6.804 1.00 0.00 O ATOM 1130 OD2 ASP A 75 76.273 3.072 -5.691 1.00 0.00 O ATOM 0 H ASP A 75 71.717 1.903 -6.427 1.00 0.00 H new ATOM 0 HA ASP A 75 74.042 0.519 -5.161 1.00 0.00 H new ATOM 0 HB2 ASP A 75 73.759 2.104 -7.338 1.00 0.00 H new ATOM 0 HB3 ASP A 75 73.833 3.390 -6.150 1.00 0.00 H new ATOM 1135 N GLU A 76 72.436 2.993 -3.750 1.00 0.00 N ATOM 1136 CA GLU A 76 72.314 3.698 -2.441 1.00 0.00 C ATOM 1137 C GLU A 76 71.456 2.877 -1.475 1.00 0.00 C ATOM 1138 O GLU A 76 71.849 2.609 -0.357 1.00 0.00 O ATOM 1139 CB GLU A 76 71.633 5.027 -2.770 1.00 0.00 C ATOM 1140 CG GLU A 76 72.444 5.765 -3.837 1.00 0.00 C ATOM 1141 CD GLU A 76 72.043 7.240 -3.856 1.00 0.00 C ATOM 1142 OE1 GLU A 76 71.898 7.808 -2.784 1.00 0.00 O ATOM 1143 OE2 GLU A 76 71.887 7.778 -4.939 1.00 0.00 O ATOM 0 H GLU A 76 71.733 3.243 -4.446 1.00 0.00 H new ATOM 0 HA GLU A 76 73.280 3.844 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 76 70.619 4.849 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 76 71.552 5.639 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 76 73.510 5.670 -3.629 1.00 0.00 H new ATOM 0 HG3 GLU A 76 72.269 5.317 -4.815 1.00 0.00 H new ATOM 1150 N PHE A 77 70.287 2.475 -1.895 1.00 0.00 N ATOM 1151 CA PHE A 77 69.409 1.672 -0.995 1.00 0.00 C ATOM 1152 C PHE A 77 70.214 0.553 -0.326 1.00 0.00 C ATOM 1153 O PHE A 77 70.187 0.393 0.878 1.00 0.00 O ATOM 1154 CB PHE A 77 68.335 1.084 -1.911 1.00 0.00 C ATOM 1155 CG PHE A 77 67.527 0.063 -1.146 1.00 0.00 C ATOM 1156 CD1 PHE A 77 66.782 0.455 -0.028 1.00 0.00 C ATOM 1157 CD2 PHE A 77 67.523 -1.276 -1.557 1.00 0.00 C ATOM 1158 CE1 PHE A 77 66.033 -0.492 0.681 1.00 0.00 C ATOM 1159 CE2 PHE A 77 66.774 -2.222 -0.847 1.00 0.00 C ATOM 1160 CZ PHE A 77 66.029 -1.830 0.271 1.00 0.00 C ATOM 0 H PHE A 77 69.902 2.667 -2.820 1.00 0.00 H new ATOM 0 HA PHE A 77 68.979 2.275 -0.195 1.00 0.00 H new ATOM 0 HB2 PHE A 77 67.684 1.876 -2.281 1.00 0.00 H new ATOM 0 HB3 PHE A 77 68.798 0.619 -2.781 1.00 0.00 H new ATOM 0 HD1 PHE A 77 66.785 1.488 0.288 1.00 0.00 H new ATOM 0 HD2 PHE A 77 68.097 -1.578 -2.420 1.00 0.00 H new ATOM 0 HE1 PHE A 77 65.458 -0.190 1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 77 66.771 -3.255 -1.162 1.00 0.00 H new ATOM 0 HZ PHE A 77 65.451 -2.560 0.818 1.00 0.00 H new ATOM 1170 N LEU A 78 70.928 -0.221 -1.097 1.00 0.00 N ATOM 1171 CA LEU A 78 71.733 -1.329 -0.504 1.00 0.00 C ATOM 1172 C LEU A 78 72.512 -0.826 0.713 1.00 0.00 C ATOM 1173 O LEU A 78 72.440 -1.392 1.786 1.00 0.00 O ATOM 1174 CB LEU A 78 72.693 -1.759 -1.612 1.00 0.00 C ATOM 1175 CG LEU A 78 72.084 -2.925 -2.393 1.00 0.00 C ATOM 1176 CD1 LEU A 78 72.942 -3.217 -3.625 1.00 0.00 C ATOM 1177 CD2 LEU A 78 72.037 -4.167 -1.500 1.00 0.00 C ATOM 0 H LEU A 78 70.989 -0.135 -2.112 1.00 0.00 H new ATOM 0 HA LEU A 78 71.108 -2.154 -0.162 1.00 0.00 H new ATOM 0 HB2 LEU A 78 72.889 -0.922 -2.282 1.00 0.00 H new ATOM 0 HB3 LEU A 78 73.650 -2.056 -1.183 1.00 0.00 H new ATOM 0 HG LEU A 78 71.074 -2.663 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 78 72.508 -4.048 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 78 72.978 -2.333 -4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 78 73.952 -3.479 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 78 71.603 -4.998 -2.056 1.00 0.00 H new ATOM 0 HD22 LEU A 78 73.048 -4.428 -1.186 1.00 0.00 H new ATOM 0 HD23 LEU A 78 71.427 -3.960 -0.621 1.00 0.00 H new ATOM 1189 N VAL A 79 73.259 0.232 0.555 1.00 0.00 N ATOM 1190 CA VAL A 79 74.045 0.769 1.704 1.00 0.00 C ATOM 1191 C VAL A 79 73.111 1.132 2.861 1.00 0.00 C ATOM 1192 O VAL A 79 73.373 0.817 4.005 1.00 0.00 O ATOM 1193 CB VAL A 79 74.736 2.019 1.159 1.00 0.00 C ATOM 1194 CG1 VAL A 79 75.548 2.680 2.274 1.00 0.00 C ATOM 1195 CG2 VAL A 79 75.671 1.624 0.013 1.00 0.00 C ATOM 0 H VAL A 79 73.360 0.748 -0.319 1.00 0.00 H new ATOM 0 HA VAL A 79 74.760 0.043 2.091 1.00 0.00 H new ATOM 0 HB VAL A 79 73.986 2.719 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 79 76.041 3.571 1.886 1.00 0.00 H new ATOM 0 HG12 VAL A 79 74.883 2.960 3.091 1.00 0.00 H new ATOM 0 HG13 VAL A 79 76.299 1.981 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 79 76.165 2.514 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 79 76.422 0.924 0.381 1.00 0.00 H new ATOM 0 HG23 VAL A 79 75.093 1.152 -0.782 1.00 0.00 H new ATOM 1205 N MET A 80 72.022 1.792 2.573 1.00 0.00 N ATOM 1206 CA MET A 80 71.074 2.176 3.658 1.00 0.00 C ATOM 1207 C MET A 80 70.543 0.926 4.365 1.00 0.00 C ATOM 1208 O MET A 80 70.271 0.940 5.550 1.00 0.00 O ATOM 1209 CB MET A 80 69.939 2.914 2.948 1.00 0.00 C ATOM 1210 CG MET A 80 70.186 4.422 3.019 1.00 0.00 C ATOM 1211 SD MET A 80 68.630 5.273 3.385 1.00 0.00 S ATOM 1212 CE MET A 80 68.154 5.623 1.675 1.00 0.00 C ATOM 0 H MET A 80 71.748 2.082 1.634 1.00 0.00 H new ATOM 0 HA MET A 80 71.548 2.794 4.421 1.00 0.00 H new ATOM 0 HB2 MET A 80 69.878 2.594 1.908 1.00 0.00 H new ATOM 0 HB3 MET A 80 68.985 2.669 3.414 1.00 0.00 H new ATOM 0 HG2 MET A 80 70.924 4.644 3.789 1.00 0.00 H new ATOM 0 HG3 MET A 80 70.594 4.779 2.074 1.00 0.00 H new ATOM 0 HE1 MET A 80 67.098 5.890 1.639 1.00 0.00 H new ATOM 0 HE2 MET A 80 68.751 6.451 1.293 1.00 0.00 H new ATOM 0 HE3 MET A 80 68.326 4.739 1.061 1.00 0.00 H new ATOM 1222 N MET A 81 70.391 -0.154 3.649 1.00 0.00 N ATOM 1223 CA MET A 81 69.876 -1.402 4.282 1.00 0.00 C ATOM 1224 C MET A 81 70.991 -2.099 5.065 1.00 0.00 C ATOM 1225 O MET A 81 70.858 -2.374 6.241 1.00 0.00 O ATOM 1226 CB MET A 81 69.412 -2.275 3.116 1.00 0.00 C ATOM 1227 CG MET A 81 67.957 -1.941 2.777 1.00 0.00 C ATOM 1228 SD MET A 81 66.903 -2.329 4.197 1.00 0.00 S ATOM 1229 CE MET A 81 66.919 -4.128 4.008 1.00 0.00 C ATOM 0 H MET A 81 70.601 -0.227 2.653 1.00 0.00 H new ATOM 0 HA MET A 81 69.070 -1.204 4.989 1.00 0.00 H new ATOM 0 HB2 MET A 81 70.047 -2.107 2.246 1.00 0.00 H new ATOM 0 HB3 MET A 81 69.503 -3.329 3.378 1.00 0.00 H new ATOM 0 HG2 MET A 81 67.865 -0.886 2.520 1.00 0.00 H new ATOM 0 HG3 MET A 81 67.635 -2.511 1.905 1.00 0.00 H new ATOM 0 HE1 MET A 81 65.940 -4.467 3.670 1.00 0.00 H new ATOM 0 HE2 MET A 81 67.674 -4.410 3.274 1.00 0.00 H new ATOM 0 HE3 MET A 81 67.153 -4.592 4.966 1.00 0.00 H new ATOM 1239 N VAL A 82 72.090 -2.388 4.423 1.00 0.00 N ATOM 1240 CA VAL A 82 73.211 -3.067 5.133 1.00 0.00 C ATOM 1241 C VAL A 82 73.750 -2.170 6.251 1.00 0.00 C ATOM 1242 O VAL A 82 74.462 -2.616 7.129 1.00 0.00 O ATOM 1243 CB VAL A 82 74.279 -3.292 4.063 1.00 0.00 C ATOM 1244 CG1 VAL A 82 73.684 -4.104 2.912 1.00 0.00 C ATOM 1245 CG2 VAL A 82 74.764 -1.940 3.536 1.00 0.00 C ATOM 0 H VAL A 82 72.260 -2.183 3.438 1.00 0.00 H new ATOM 0 HA VAL A 82 72.899 -4.001 5.599 1.00 0.00 H new ATOM 0 HB VAL A 82 75.118 -3.836 4.495 1.00 0.00 H new ATOM 0 HG11 VAL A 82 74.445 -4.265 2.149 1.00 0.00 H new ATOM 0 HG12 VAL A 82 73.337 -5.067 3.287 1.00 0.00 H new ATOM 0 HG13 VAL A 82 72.845 -3.560 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 82 75.526 -2.099 2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 82 73.925 -1.396 3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 82 75.188 -1.361 4.356 1.00 0.00 H new ATOM 1255 N ARG A 83 73.416 -0.909 6.227 1.00 0.00 N ATOM 1256 CA ARG A 83 73.909 0.012 7.291 1.00 0.00 C ATOM 1257 C ARG A 83 73.027 -0.103 8.537 1.00 0.00 C ATOM 1258 O ARG A 83 73.503 -0.038 9.653 1.00 0.00 O ATOM 1259 CB ARG A 83 73.802 1.412 6.685 1.00 0.00 C ATOM 1260 CG ARG A 83 74.013 2.459 7.781 1.00 0.00 C ATOM 1261 CD ARG A 83 74.311 3.816 7.140 1.00 0.00 C ATOM 1262 NE ARG A 83 73.383 4.769 7.809 1.00 0.00 N ATOM 1263 CZ ARG A 83 73.480 4.981 9.093 1.00 0.00 C ATOM 1264 NH1 ARG A 83 74.648 5.201 9.632 1.00 0.00 N ATOM 1265 NH2 ARG A 83 72.409 4.974 9.838 1.00 0.00 N ATOM 0 H ARG A 83 72.824 -0.477 5.518 1.00 0.00 H new ATOM 0 HA ARG A 83 74.928 -0.220 7.600 1.00 0.00 H new ATOM 0 HB2 ARG A 83 74.547 1.538 5.899 1.00 0.00 H new ATOM 0 HB3 ARG A 83 72.824 1.546 6.222 1.00 0.00 H new ATOM 0 HG2 ARG A 83 73.124 2.528 8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 83 74.838 2.162 8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 83 75.351 4.105 7.292 1.00 0.00 H new ATOM 0 HD3 ARG A 83 74.142 3.790 6.064 1.00 0.00 H new ATOM 0 HE ARG A 83 72.672 5.256 7.264 1.00 0.00 H new ATOM 0 HH11 ARG A 83 75.485 5.207 9.050 1.00 0.00 H new ATOM 0 HH12 ARG A 83 74.723 5.367 10.636 1.00 0.00 H new ATOM 0 HH21 ARG A 83 71.496 4.803 9.417 1.00 0.00 H new ATOM 0 HH22 ARG A 83 72.485 5.140 10.842 1.00 0.00 H new ATOM 1279 N CYS A 84 71.747 -0.272 8.355 1.00 0.00 N ATOM 1280 CA CYS A 84 70.836 -0.392 9.530 1.00 0.00 C ATOM 1281 C CYS A 84 71.007 -1.761 10.192 1.00 0.00 C ATOM 1282 O CYS A 84 70.707 -1.941 11.355 1.00 0.00 O ATOM 1283 CB CYS A 84 69.427 -0.245 8.955 1.00 0.00 C ATOM 1284 SG CYS A 84 68.493 0.950 9.944 1.00 0.00 S ATOM 0 H CYS A 84 71.291 -0.332 7.444 1.00 0.00 H new ATOM 0 HA CYS A 84 71.044 0.358 10.293 1.00 0.00 H new ATOM 0 HB2 CYS A 84 69.479 0.087 7.918 1.00 0.00 H new ATOM 0 HB3 CYS A 84 68.920 -1.210 8.956 1.00 0.00 H new ATOM 0 HG CYS A 84 67.296 1.077 9.454 1.00 0.00 H new ATOM 1290 N MET A 85 71.488 -2.728 9.459 1.00 0.00 N ATOM 1291 CA MET A 85 71.680 -4.085 10.047 1.00 0.00 C ATOM 1292 C MET A 85 72.764 -4.046 11.127 1.00 0.00 C ATOM 1293 O MET A 85 72.484 -3.852 12.293 1.00 0.00 O ATOM 1294 CB MET A 85 72.123 -4.964 8.876 1.00 0.00 C ATOM 1295 CG MET A 85 70.909 -5.699 8.301 1.00 0.00 C ATOM 1296 SD MET A 85 71.467 -6.936 7.103 1.00 0.00 S ATOM 1297 CE MET A 85 70.775 -6.147 5.627 1.00 0.00 C ATOM 0 H MET A 85 71.756 -2.637 8.479 1.00 0.00 H new ATOM 0 HA MET A 85 70.773 -4.461 10.521 1.00 0.00 H new ATOM 0 HB2 MET A 85 72.590 -4.352 8.104 1.00 0.00 H new ATOM 0 HB3 MET A 85 72.872 -5.682 9.210 1.00 0.00 H new ATOM 0 HG2 MET A 85 70.348 -6.180 9.102 1.00 0.00 H new ATOM 0 HG3 MET A 85 70.235 -4.990 7.821 1.00 0.00 H new ATOM 0 HE1 MET A 85 71.328 -6.474 4.747 1.00 0.00 H new ATOM 0 HE2 MET A 85 69.727 -6.428 5.522 1.00 0.00 H new ATOM 0 HE3 MET A 85 70.853 -5.064 5.723 1.00 0.00 H new ATOM 1307 N LYS A 86 73.999 -4.228 10.748 1.00 0.00 N ATOM 1308 CA LYS A 86 75.099 -4.201 11.753 1.00 0.00 C ATOM 1309 C LYS A 86 74.803 -5.183 12.889 1.00 0.00 C ATOM 1310 O LYS A 86 74.010 -4.910 13.768 1.00 0.00 O ATOM 1311 CB LYS A 86 75.121 -2.766 12.278 1.00 0.00 C ATOM 1312 CG LYS A 86 76.554 -2.230 12.240 1.00 0.00 C ATOM 1313 CD LYS A 86 76.637 -0.935 13.050 1.00 0.00 C ATOM 1314 CE LYS A 86 77.877 -0.146 12.624 1.00 0.00 C ATOM 1315 NZ LYS A 86 77.362 0.928 11.730 1.00 0.00 N ATOM 0 H LYS A 86 74.294 -4.394 9.786 1.00 0.00 H new ATOM 0 HA LYS A 86 76.057 -4.493 11.323 1.00 0.00 H new ATOM 0 HB2 LYS A 86 74.470 -2.136 11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 86 74.737 -2.735 13.298 1.00 0.00 H new ATOM 0 HG2 LYS A 86 77.241 -2.971 12.648 1.00 0.00 H new ATOM 0 HG3 LYS A 86 76.858 -2.047 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 86 75.740 -0.336 12.892 1.00 0.00 H new ATOM 0 HD3 LYS A 86 76.685 -1.162 14.115 1.00 0.00 H new ATOM 0 HE2 LYS A 86 78.394 0.273 13.487 1.00 0.00 H new ATOM 0 HE3 LYS A 86 78.591 -0.784 12.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 78.155 1.512 11.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 76.881 0.499 10.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 76.690 1.524 12.254 1.00 0.00 H new ATOM 1329 N ASP A 87 75.434 -6.325 12.879 1.00 0.00 N ATOM 1330 CA ASP A 87 75.188 -7.324 13.958 1.00 0.00 C ATOM 1331 C ASP A 87 76.118 -8.528 13.788 1.00 0.00 C ATOM 1332 O ASP A 87 75.739 -9.655 14.037 1.00 0.00 O ATOM 1333 CB ASP A 87 73.729 -7.744 13.781 1.00 0.00 C ATOM 1334 CG ASP A 87 73.481 -8.126 12.321 1.00 0.00 C ATOM 1335 OD1 ASP A 87 74.120 -9.055 11.856 1.00 0.00 O ATOM 1336 OD2 ASP A 87 72.655 -7.483 11.692 1.00 0.00 O ATOM 0 H ASP A 87 76.110 -6.610 12.170 1.00 0.00 H new ATOM 0 HA ASP A 87 75.378 -6.916 14.951 1.00 0.00 H new ATOM 0 HB2 ASP A 87 73.501 -8.588 14.432 1.00 0.00 H new ATOM 0 HB3 ASP A 87 73.067 -6.928 14.072 1.00 0.00 H new ATOM 1341 N ASP A 88 77.333 -8.299 13.369 1.00 0.00 N ATOM 1342 CA ASP A 88 78.284 -9.433 13.186 1.00 0.00 C ATOM 1343 C ASP A 88 78.559 -10.114 14.530 1.00 0.00 C ATOM 1344 O ASP A 88 79.381 -9.668 15.306 1.00 0.00 O ATOM 1345 CB ASP A 88 79.561 -8.795 12.636 1.00 0.00 C ATOM 1346 CG ASP A 88 79.861 -9.368 11.250 1.00 0.00 C ATOM 1347 OD1 ASP A 88 80.333 -10.490 11.183 1.00 0.00 O ATOM 1348 OD2 ASP A 88 79.614 -8.672 10.278 1.00 0.00 O ATOM 0 H ASP A 88 77.708 -7.377 13.146 1.00 0.00 H new ATOM 0 HA ASP A 88 77.891 -10.198 12.517 1.00 0.00 H new ATOM 0 HB2 ASP A 88 79.443 -7.713 12.576 1.00 0.00 H new ATOM 0 HB3 ASP A 88 80.396 -8.988 13.310 1.00 0.00 H new ATOM 1353 N SER A 89 77.877 -11.191 14.811 1.00 0.00 N ATOM 1354 CA SER A 89 78.101 -11.899 16.104 1.00 0.00 C ATOM 1355 C SER A 89 78.951 -13.152 15.882 1.00 0.00 C ATOM 1356 O SER A 89 79.811 -13.414 16.707 1.00 0.00 O ATOM 1357 CB SER A 89 76.704 -12.279 16.593 1.00 0.00 C ATOM 1358 OG SER A 89 75.836 -11.162 16.450 1.00 0.00 O ATOM 1359 OXT SER A 89 78.727 -13.828 14.891 1.00 0.00 O ATOM 0 H SER A 89 77.175 -11.611 14.202 1.00 0.00 H new ATOM 0 HA SER A 89 78.633 -11.280 16.827 1.00 0.00 H new ATOM 0 HB2 SER A 89 76.324 -13.125 16.021 1.00 0.00 H new ATOM 0 HB3 SER A 89 76.744 -12.592 17.636 1.00 0.00 H new ATOM 0 HG SER A 89 74.939 -11.403 16.761 1.00 0.00 H new TER 1365 SER A 89