USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 623 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 ASP N :NH3+ 172:sc= 0 (180deg=-0.0649) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= -0.0815 (180deg=-0.482) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.101 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 ASN : amide:sc= -0.0214 K(o=-0.021,f=-1.3) USER MOD Single : A 19 SER OG : rot 180:sc=-0.00842 USER MOD Single : A 21 THR OG1 : rot 170:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00898) USER MOD Single : A 27 SER OG : rot 175:sc= -0.654 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 168:sc= -1.08 USER MOD Single : A 35 GLN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -154:sc= 0.0191 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 7:sc= -0.509 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -137:sc= 0.00587 (180deg=-0.0375) USER MOD Single : A 58 SER OG : rot 180:sc= -0.0253 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.243 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 120:sc= -0.0367 USER MOD Single : A 76 SER OG : rot 180:sc= -0.0128 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -8.028 -11.562 -10.709 1.00 0.00 N ATOM 2 CA ASP A 1 -8.194 -10.268 -11.418 1.00 0.00 C ATOM 3 C ASP A 1 -8.077 -9.091 -10.454 1.00 0.00 C ATOM 4 O ASP A 1 -8.832 -8.123 -10.544 1.00 0.00 O ATOM 5 CB ASP A 1 -9.564 -10.259 -12.101 1.00 0.00 C ATOM 6 CG ASP A 1 -9.495 -9.763 -13.531 1.00 0.00 C ATOM 7 OD1 ASP A 1 -9.029 -10.527 -14.403 1.00 0.00 O ATOM 8 OD2 ASP A 1 -9.907 -8.611 -13.781 1.00 0.00 O ATOM 0 H1 ASP A 1 -8.246 -12.344 -11.359 1.00 0.00 H new ATOM 0 H2 ASP A 1 -7.047 -11.652 -10.375 1.00 0.00 H new ATOM 0 H3 ASP A 1 -8.675 -11.598 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 1 -7.403 -10.162 -12.160 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -9.979 -11.267 -12.089 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -10.246 -9.626 -11.533 1.00 0.00 H new ATOM 15 N TYR A 2 -7.124 -9.183 -9.533 1.00 0.00 N ATOM 16 CA TYR A 2 -6.904 -8.127 -8.551 1.00 0.00 C ATOM 17 C TYR A 2 -5.483 -8.181 -8.001 1.00 0.00 C ATOM 18 O TYR A 2 -4.687 -9.034 -8.395 1.00 0.00 O ATOM 19 CB TYR A 2 -7.912 -8.246 -7.405 1.00 0.00 C ATOM 20 CG TYR A 2 -8.147 -9.669 -6.949 1.00 0.00 C ATOM 21 CD1 TYR A 2 -7.306 -10.268 -6.020 1.00 0.00 C ATOM 22 CD2 TYR A 2 -9.212 -10.411 -7.446 1.00 0.00 C ATOM 23 CE1 TYR A 2 -7.518 -11.568 -5.599 1.00 0.00 C ATOM 24 CE2 TYR A 2 -9.430 -11.711 -7.029 1.00 0.00 C ATOM 25 CZ TYR A 2 -8.581 -12.285 -6.108 1.00 0.00 C ATOM 26 OH TYR A 2 -8.795 -13.578 -5.691 1.00 0.00 O ATOM 0 H TYR A 2 -6.491 -9.978 -9.446 1.00 0.00 H new ATOM 0 HA TYR A 2 -7.045 -7.168 -9.050 1.00 0.00 H new ATOM 0 HB2 TYR A 2 -7.559 -7.656 -6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 2 -8.861 -7.813 -7.721 1.00 0.00 H new ATOM 0 HD1 TYR A 2 -6.473 -9.709 -5.620 1.00 0.00 H new ATOM 0 HD2 TYR A 2 -9.879 -9.965 -8.169 1.00 0.00 H new ATOM 0 HE1 TYR A 2 -6.855 -12.019 -4.876 1.00 0.00 H new ATOM 0 HE2 TYR A 2 -10.263 -12.274 -7.424 1.00 0.00 H new ATOM 0 HH TYR A 2 -9.584 -13.941 -6.144 1.00 0.00 H new ATOM 36 N LYS A 3 -5.171 -7.264 -7.088 1.00 0.00 N ATOM 37 CA LYS A 3 -3.845 -7.201 -6.480 1.00 0.00 C ATOM 38 C LYS A 3 -2.763 -7.026 -7.542 1.00 0.00 C ATOM 39 O LYS A 3 -3.060 -6.754 -8.706 1.00 0.00 O ATOM 40 CB LYS A 3 -3.575 -8.465 -5.660 1.00 0.00 C ATOM 41 CG LYS A 3 -4.383 -8.541 -4.375 1.00 0.00 C ATOM 42 CD LYS A 3 -3.488 -8.757 -3.165 1.00 0.00 C ATOM 43 CE LYS A 3 -3.439 -7.523 -2.280 1.00 0.00 C ATOM 44 NZ LYS A 3 -2.458 -7.672 -1.171 1.00 0.00 N ATOM 0 H LYS A 3 -5.821 -6.553 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 3 -3.819 -6.335 -5.818 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.798 -9.339 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -2.514 -8.509 -5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.953 -7.621 -4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.104 -9.355 -4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -3.854 -9.606 -2.587 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -2.481 -9.008 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -3.175 -6.654 -2.883 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -4.429 -7.334 -1.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -2.456 -6.809 -0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -2.723 -8.485 -0.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -1.508 -7.826 -1.566 1.00 0.00 H new ATOM 58 N ASP A 4 -1.508 -7.182 -7.133 1.00 0.00 N ATOM 59 CA ASP A 4 -0.383 -7.039 -8.051 1.00 0.00 C ATOM 60 C ASP A 4 0.871 -7.698 -7.484 1.00 0.00 C ATOM 61 O ASP A 4 1.667 -8.278 -8.222 1.00 0.00 O ATOM 62 CB ASP A 4 -0.112 -5.561 -8.334 1.00 0.00 C ATOM 63 CG ASP A 4 0.191 -5.296 -9.796 1.00 0.00 C ATOM 64 OD1 ASP A 4 -0.765 -5.228 -10.597 1.00 0.00 O ATOM 65 OD2 ASP A 4 1.384 -5.159 -10.139 1.00 0.00 O ATOM 0 H ASP A 4 -1.244 -7.407 -6.174 1.00 0.00 H new ATOM 0 HA ASP A 4 -0.644 -7.539 -8.984 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -0.978 -4.972 -8.033 1.00 0.00 H new ATOM 0 HB3 ASP A 4 0.728 -5.226 -7.726 1.00 0.00 H new ATOM 70 N ASP A 5 1.040 -7.602 -6.169 1.00 0.00 N ATOM 71 CA ASP A 5 2.198 -8.187 -5.503 1.00 0.00 C ATOM 72 C ASP A 5 1.803 -8.798 -4.161 1.00 0.00 C ATOM 73 O ASP A 5 0.623 -9.023 -3.893 1.00 0.00 O ATOM 74 CB ASP A 5 3.282 -7.128 -5.295 1.00 0.00 C ATOM 75 CG ASP A 5 4.609 -7.532 -5.906 1.00 0.00 C ATOM 76 OD1 ASP A 5 5.138 -8.598 -5.526 1.00 0.00 O ATOM 77 OD2 ASP A 5 5.120 -6.782 -6.767 1.00 0.00 O ATOM 0 H ASP A 5 0.390 -7.125 -5.544 1.00 0.00 H new ATOM 0 HA ASP A 5 2.591 -8.979 -6.141 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.955 -6.186 -5.734 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.415 -6.953 -4.227 1.00 0.00 H new ATOM 82 N ASP A 6 2.801 -9.066 -3.324 1.00 0.00 N ATOM 83 CA ASP A 6 2.560 -9.651 -2.009 1.00 0.00 C ATOM 84 C ASP A 6 2.383 -8.566 -0.953 1.00 0.00 C ATOM 85 O ASP A 6 1.261 -8.240 -0.566 1.00 0.00 O ATOM 86 CB ASP A 6 3.716 -10.576 -1.621 1.00 0.00 C ATOM 87 CG ASP A 6 3.341 -11.536 -0.510 1.00 0.00 C ATOM 88 OD1 ASP A 6 3.387 -11.127 0.670 1.00 0.00 O ATOM 89 OD2 ASP A 6 3.001 -12.698 -0.818 1.00 0.00 O ATOM 0 H ASP A 6 3.783 -8.888 -3.533 1.00 0.00 H new ATOM 0 HA ASP A 6 1.640 -10.233 -2.061 1.00 0.00 H new ATOM 0 HB2 ASP A 6 4.033 -11.143 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 6 4.568 -9.975 -1.305 1.00 0.00 H new ATOM 94 N ASP A 7 3.499 -8.013 -0.491 1.00 0.00 N ATOM 95 CA ASP A 7 3.471 -6.964 0.522 1.00 0.00 C ATOM 96 C ASP A 7 4.060 -5.665 -0.022 1.00 0.00 C ATOM 97 O ASP A 7 5.169 -5.651 -0.556 1.00 0.00 O ATOM 98 CB ASP A 7 4.245 -7.406 1.765 1.00 0.00 C ATOM 99 CG ASP A 7 3.405 -7.334 3.025 1.00 0.00 C ATOM 100 OD1 ASP A 7 3.375 -6.258 3.657 1.00 0.00 O ATOM 101 OD2 ASP A 7 2.779 -8.354 3.380 1.00 0.00 O ATOM 0 H ASP A 7 4.435 -8.274 -0.802 1.00 0.00 H new ATOM 0 HA ASP A 7 2.431 -6.784 0.794 1.00 0.00 H new ATOM 0 HB2 ASP A 7 4.599 -8.428 1.625 1.00 0.00 H new ATOM 0 HB3 ASP A 7 5.127 -6.777 1.883 1.00 0.00 H new ATOM 106 N LYS A 8 3.307 -4.577 0.119 1.00 0.00 N ATOM 107 CA LYS A 8 3.748 -3.269 -0.356 1.00 0.00 C ATOM 108 C LYS A 8 4.072 -3.307 -1.847 1.00 0.00 C ATOM 109 O LYS A 8 3.705 -4.252 -2.548 1.00 0.00 O ATOM 110 CB LYS A 8 4.972 -2.801 0.434 1.00 0.00 C ATOM 111 CG LYS A 8 4.664 -1.707 1.442 1.00 0.00 C ATOM 112 CD LYS A 8 5.211 -0.362 0.991 1.00 0.00 C ATOM 113 CE LYS A 8 4.092 0.614 0.666 1.00 0.00 C ATOM 114 NZ LYS A 8 3.239 0.897 1.853 1.00 0.00 N ATOM 0 H LYS A 8 2.387 -4.576 0.559 1.00 0.00 H new ATOM 0 HA LYS A 8 2.932 -2.563 -0.201 1.00 0.00 H new ATOM 0 HB2 LYS A 8 5.404 -3.654 0.957 1.00 0.00 H new ATOM 0 HB3 LYS A 8 5.727 -2.439 -0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.586 -1.634 1.582 1.00 0.00 H new ATOM 0 HG3 LYS A 8 5.094 -1.970 2.408 1.00 0.00 H new ATOM 0 HD2 LYS A 8 5.844 0.056 1.774 1.00 0.00 H new ATOM 0 HD3 LYS A 8 5.841 -0.500 0.112 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.519 1.546 0.296 1.00 0.00 H new ATOM 0 HE3 LYS A 8 3.476 0.206 -0.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.827 1.848 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 2.476 0.193 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.818 0.848 2.716 1.00 0.00 H new ATOM 128 N VAL A 9 4.759 -2.274 -2.326 1.00 0.00 N ATOM 129 CA VAL A 9 5.130 -2.189 -3.733 1.00 0.00 C ATOM 130 C VAL A 9 6.637 -2.344 -3.913 1.00 0.00 C ATOM 131 O VAL A 9 7.214 -1.830 -4.872 1.00 0.00 O ATOM 132 CB VAL A 9 4.684 -0.850 -4.351 1.00 0.00 C ATOM 133 CG1 VAL A 9 3.172 -0.810 -4.505 1.00 0.00 C ATOM 134 CG2 VAL A 9 5.174 0.318 -3.509 1.00 0.00 C ATOM 0 H VAL A 9 5.070 -1.485 -1.760 1.00 0.00 H new ATOM 0 HA VAL A 9 4.620 -3.004 -4.246 1.00 0.00 H new ATOM 0 HB VAL A 9 5.129 -0.763 -5.342 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.876 0.143 -4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.851 -1.624 -5.155 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.704 -0.921 -3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 9 4.849 1.255 -3.962 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.762 0.239 -2.503 1.00 0.00 H new ATOM 0 HG23 VAL A 9 6.263 0.298 -3.458 1.00 0.00 H new ATOM 144 N LYS A 10 7.269 -3.056 -2.985 1.00 0.00 N ATOM 145 CA LYS A 10 8.709 -3.279 -3.041 1.00 0.00 C ATOM 146 C LYS A 10 9.044 -4.442 -3.969 1.00 0.00 C ATOM 147 O LYS A 10 8.211 -5.314 -4.214 1.00 0.00 O ATOM 148 CB LYS A 10 9.258 -3.557 -1.640 1.00 0.00 C ATOM 149 CG LYS A 10 9.072 -2.399 -0.673 1.00 0.00 C ATOM 150 CD LYS A 10 9.374 -2.813 0.757 1.00 0.00 C ATOM 151 CE LYS A 10 8.835 -1.802 1.756 1.00 0.00 C ATOM 152 NZ LYS A 10 9.606 -0.528 1.729 1.00 0.00 N ATOM 0 H LYS A 10 6.806 -3.488 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 10 9.176 -2.376 -3.435 1.00 0.00 H new ATOM 0 HB2 LYS A 10 8.765 -4.441 -1.235 1.00 0.00 H new ATOM 0 HB3 LYS A 10 10.320 -3.790 -1.715 1.00 0.00 H new ATOM 0 HG2 LYS A 10 9.726 -1.575 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.048 -2.031 -0.738 1.00 0.00 H new ATOM 0 HD2 LYS A 10 8.934 -3.791 0.954 1.00 0.00 H new ATOM 0 HD3 LYS A 10 10.451 -2.916 0.887 1.00 0.00 H new ATOM 0 HE2 LYS A 10 7.787 -1.597 1.535 1.00 0.00 H new ATOM 0 HE3 LYS A 10 8.872 -2.227 2.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 9.207 0.134 2.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 10.601 -0.719 1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 9.550 -0.108 0.779 1.00 0.00 H new ATOM 166 N LEU A 11 10.270 -4.446 -4.484 1.00 0.00 N ATOM 167 CA LEU A 11 10.717 -5.501 -5.387 1.00 0.00 C ATOM 168 C LEU A 11 12.240 -5.563 -5.440 1.00 0.00 C ATOM 169 O LEU A 11 12.822 -6.632 -5.627 1.00 0.00 O ATOM 170 CB LEU A 11 10.155 -5.274 -6.792 1.00 0.00 C ATOM 171 CG LEU A 11 10.212 -3.826 -7.284 1.00 0.00 C ATOM 172 CD1 LEU A 11 10.897 -3.752 -8.640 1.00 0.00 C ATOM 173 CD2 LEU A 11 8.813 -3.234 -7.359 1.00 0.00 C ATOM 0 H LEU A 11 10.971 -3.731 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 11 10.345 -6.452 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.705 -5.902 -7.493 1.00 0.00 H new ATOM 0 HB3 LEU A 11 9.118 -5.608 -6.811 1.00 0.00 H new ATOM 0 HG LEU A 11 10.795 -3.242 -6.572 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.929 -2.715 -8.975 1.00 0.00 H new ATOM 0 HD12 LEU A 11 11.913 -4.138 -8.556 1.00 0.00 H new ATOM 0 HD13 LEU A 11 10.340 -4.350 -9.362 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.872 -2.204 -7.711 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.207 -3.819 -8.051 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.356 -3.254 -6.370 1.00 0.00 H new ATOM 185 N THR A 12 12.880 -4.410 -5.275 1.00 0.00 N ATOM 186 CA THR A 12 14.336 -4.331 -5.303 1.00 0.00 C ATOM 187 C THR A 12 14.946 -5.013 -4.084 1.00 0.00 C ATOM 188 O THR A 12 14.409 -4.927 -2.979 1.00 0.00 O ATOM 189 CB THR A 12 14.820 -2.870 -5.357 1.00 0.00 C ATOM 190 OG1 THR A 12 13.835 -2.006 -4.778 1.00 0.00 O ATOM 191 CG2 THR A 12 15.096 -2.444 -6.790 1.00 0.00 C ATOM 0 H THR A 12 12.413 -3.517 -5.120 1.00 0.00 H new ATOM 0 HA THR A 12 14.663 -4.846 -6.206 1.00 0.00 H new ATOM 0 HB THR A 12 15.747 -2.796 -4.788 1.00 0.00 H new ATOM 0 HG1 THR A 12 14.151 -1.079 -4.815 1.00 0.00 H new ATOM 0 HG21 THR A 12 15.437 -1.409 -6.803 1.00 0.00 H new ATOM 0 HG22 THR A 12 15.867 -3.085 -7.218 1.00 0.00 H new ATOM 0 HG23 THR A 12 14.183 -2.533 -7.378 1.00 0.00 H new ATOM 199 N CYS A 13 16.073 -5.687 -4.291 1.00 0.00 N ATOM 200 CA CYS A 13 16.758 -6.384 -3.208 1.00 0.00 C ATOM 201 C CYS A 13 17.926 -5.556 -2.681 1.00 0.00 C ATOM 202 O CYS A 13 18.619 -5.965 -1.749 1.00 0.00 O ATOM 203 CB CYS A 13 17.258 -7.748 -3.686 1.00 0.00 C ATOM 204 SG CYS A 13 18.331 -7.674 -5.157 1.00 0.00 S ATOM 0 H CYS A 13 16.531 -5.765 -5.199 1.00 0.00 H new ATOM 0 HA CYS A 13 16.045 -6.531 -2.396 1.00 0.00 H new ATOM 0 HB2 CYS A 13 17.805 -8.227 -2.874 1.00 0.00 H new ATOM 0 HB3 CYS A 13 16.399 -8.381 -3.908 1.00 0.00 H new ATOM 209 N TYR A 14 18.139 -4.390 -3.283 1.00 0.00 N ATOM 210 CA TYR A 14 19.223 -3.505 -2.875 1.00 0.00 C ATOM 211 C TYR A 14 18.700 -2.374 -1.995 1.00 0.00 C ATOM 212 O TYR A 14 17.716 -1.718 -2.336 1.00 0.00 O ATOM 213 CB TYR A 14 19.929 -2.926 -4.103 1.00 0.00 C ATOM 214 CG TYR A 14 21.422 -2.766 -3.926 1.00 0.00 C ATOM 215 CD1 TYR A 14 21.939 -1.823 -3.047 1.00 0.00 C ATOM 216 CD2 TYR A 14 22.314 -3.559 -4.638 1.00 0.00 C ATOM 217 CE1 TYR A 14 23.303 -1.674 -2.882 1.00 0.00 C ATOM 218 CE2 TYR A 14 23.680 -3.416 -4.478 1.00 0.00 C ATOM 219 CZ TYR A 14 24.169 -2.473 -3.600 1.00 0.00 C ATOM 220 OH TYR A 14 25.527 -2.328 -3.438 1.00 0.00 O ATOM 0 H TYR A 14 17.574 -4.036 -4.055 1.00 0.00 H new ATOM 0 HA TYR A 14 19.938 -4.091 -2.297 1.00 0.00 H new ATOM 0 HB2 TYR A 14 19.741 -3.574 -4.959 1.00 0.00 H new ATOM 0 HB3 TYR A 14 19.494 -1.955 -4.337 1.00 0.00 H new ATOM 0 HD1 TYR A 14 21.264 -1.196 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 14 21.934 -4.299 -5.327 1.00 0.00 H new ATOM 0 HE1 TYR A 14 23.689 -0.936 -2.195 1.00 0.00 H new ATOM 0 HE2 TYR A 14 24.360 -4.040 -5.038 1.00 0.00 H new ATOM 0 HH TYR A 14 25.995 -2.967 -4.015 1.00 0.00 H new ATOM 230 N GLN A 15 19.368 -2.159 -0.861 1.00 0.00 N ATOM 231 CA GLN A 15 18.989 -1.111 0.087 1.00 0.00 C ATOM 232 C GLN A 15 17.714 -1.475 0.847 1.00 0.00 C ATOM 233 O GLN A 15 17.499 -1.007 1.965 1.00 0.00 O ATOM 234 CB GLN A 15 18.807 0.230 -0.630 1.00 0.00 C ATOM 235 CG GLN A 15 20.068 0.730 -1.316 1.00 0.00 C ATOM 236 CD GLN A 15 19.963 2.180 -1.743 1.00 0.00 C ATOM 237 OE1 GLN A 15 19.944 3.086 -0.909 1.00 0.00 O ATOM 238 NE2 GLN A 15 19.896 2.410 -3.049 1.00 0.00 N ATOM 0 H GLN A 15 20.182 -2.703 -0.575 1.00 0.00 H new ATOM 0 HA GLN A 15 19.800 -1.019 0.810 1.00 0.00 H new ATOM 0 HB2 GLN A 15 18.015 0.131 -1.372 1.00 0.00 H new ATOM 0 HB3 GLN A 15 18.476 0.976 0.092 1.00 0.00 H new ATOM 0 HG2 GLN A 15 20.915 0.615 -0.640 1.00 0.00 H new ATOM 0 HG3 GLN A 15 20.271 0.111 -2.190 1.00 0.00 H new ATOM 0 HE21 GLN A 15 19.915 1.630 -3.706 1.00 0.00 H new ATOM 0 HE22 GLN A 15 19.826 3.367 -3.395 1.00 0.00 H new ATOM 247 N ASN A 16 16.875 -2.309 0.237 1.00 0.00 N ATOM 248 CA ASN A 16 15.623 -2.735 0.857 1.00 0.00 C ATOM 249 C ASN A 16 14.756 -1.532 1.226 1.00 0.00 C ATOM 250 O ASN A 16 13.970 -1.051 0.410 1.00 0.00 O ATOM 251 CB ASN A 16 15.905 -3.584 2.100 1.00 0.00 C ATOM 252 CG ASN A 16 14.723 -4.449 2.488 1.00 0.00 C ATOM 253 OD1 ASN A 16 13.613 -3.953 2.684 1.00 0.00 O ATOM 254 ND2 ASN A 16 14.955 -5.752 2.603 1.00 0.00 N ATOM 0 H ASN A 16 17.040 -2.704 -0.689 1.00 0.00 H new ATOM 0 HA ASN A 16 15.077 -3.339 0.133 1.00 0.00 H new ATOM 0 HB2 ASN A 16 16.771 -4.219 1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 16 16.162 -2.930 2.933 1.00 0.00 H new ATOM 0 HD21 ASN A 16 14.198 -6.384 2.863 1.00 0.00 H new ATOM 0 HD22 ASN A 16 15.890 -6.121 2.431 1.00 0.00 H new ATOM 261 N GLY A 17 14.906 -1.052 2.457 1.00 0.00 N ATOM 262 CA GLY A 17 14.130 0.090 2.908 1.00 0.00 C ATOM 263 C GLY A 17 13.657 -0.060 4.341 1.00 0.00 C ATOM 264 O GLY A 17 13.294 0.924 4.987 1.00 0.00 O ATOM 0 H GLY A 17 15.550 -1.433 3.150 1.00 0.00 H new ATOM 0 HA2 GLY A 17 14.734 0.993 2.821 1.00 0.00 H new ATOM 0 HA3 GLY A 17 13.267 0.219 2.255 1.00 0.00 H new ATOM 268 N VAL A 18 13.663 -1.292 4.839 1.00 0.00 N ATOM 269 CA VAL A 18 13.232 -1.568 6.205 1.00 0.00 C ATOM 270 C VAL A 18 14.303 -2.335 6.975 1.00 0.00 C ATOM 271 O VAL A 18 15.037 -3.139 6.401 1.00 0.00 O ATOM 272 CB VAL A 18 11.922 -2.379 6.231 1.00 0.00 C ATOM 273 CG1 VAL A 18 11.257 -2.275 7.595 1.00 0.00 C ATOM 274 CG2 VAL A 18 10.979 -1.912 5.133 1.00 0.00 C ATOM 0 H VAL A 18 13.962 -2.116 4.317 1.00 0.00 H new ATOM 0 HA VAL A 18 13.063 -0.603 6.682 1.00 0.00 H new ATOM 0 HB VAL A 18 12.163 -3.426 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.333 -2.854 7.595 1.00 0.00 H new ATOM 0 HG12 VAL A 18 11.930 -2.666 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 18 11.031 -1.231 7.811 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.060 -2.498 5.169 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.743 -0.858 5.280 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.456 -2.045 4.162 1.00 0.00 H new ATOM 284 N SER A 19 14.382 -2.083 8.278 1.00 0.00 N ATOM 285 CA SER A 19 15.360 -2.752 9.128 1.00 0.00 C ATOM 286 C SER A 19 15.028 -4.234 9.267 1.00 0.00 C ATOM 287 O SER A 19 14.051 -4.717 8.692 1.00 0.00 O ATOM 288 CB SER A 19 15.403 -2.096 10.509 1.00 0.00 C ATOM 289 OG SER A 19 14.572 -2.782 11.428 1.00 0.00 O ATOM 0 H SER A 19 13.781 -1.421 8.768 1.00 0.00 H new ATOM 0 HA SER A 19 16.340 -2.656 8.660 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.428 -2.087 10.878 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.083 -1.057 10.431 1.00 0.00 H new ATOM 0 HG SER A 19 14.619 -2.343 12.303 1.00 0.00 H new ATOM 295 N PHE A 20 15.843 -4.953 10.032 1.00 0.00 N ATOM 296 CA PHE A 20 15.628 -6.379 10.242 1.00 0.00 C ATOM 297 C PHE A 20 15.534 -6.708 11.727 1.00 0.00 C ATOM 298 O PHE A 20 16.206 -6.091 12.553 1.00 0.00 O ATOM 299 CB PHE A 20 16.751 -7.191 9.594 1.00 0.00 C ATOM 300 CG PHE A 20 16.439 -7.645 8.194 1.00 0.00 C ATOM 301 CD1 PHE A 20 15.133 -7.906 7.807 1.00 0.00 C ATOM 302 CD2 PHE A 20 17.452 -7.808 7.264 1.00 0.00 C ATOM 303 CE1 PHE A 20 14.845 -8.322 6.522 1.00 0.00 C ATOM 304 CE2 PHE A 20 17.170 -8.224 5.978 1.00 0.00 C ATOM 305 CZ PHE A 20 15.865 -8.481 5.605 1.00 0.00 C ATOM 0 H PHE A 20 16.656 -4.572 10.516 1.00 0.00 H new ATOM 0 HA PHE A 20 14.681 -6.647 9.772 1.00 0.00 H new ATOM 0 HB2 PHE A 20 17.660 -6.589 9.577 1.00 0.00 H new ATOM 0 HB3 PHE A 20 16.959 -8.065 10.212 1.00 0.00 H new ATOM 0 HD1 PHE A 20 14.331 -7.782 8.520 1.00 0.00 H new ATOM 0 HD2 PHE A 20 18.475 -7.607 7.548 1.00 0.00 H new ATOM 0 HE1 PHE A 20 13.823 -8.523 6.235 1.00 0.00 H new ATOM 0 HE2 PHE A 20 17.970 -8.349 5.263 1.00 0.00 H new ATOM 0 HZ PHE A 20 15.643 -8.805 4.599 1.00 0.00 H new ATOM 315 N THR A 21 14.694 -7.684 12.057 1.00 0.00 N ATOM 316 CA THR A 21 14.507 -8.097 13.443 1.00 0.00 C ATOM 317 C THR A 21 14.279 -9.601 13.541 1.00 0.00 C ATOM 318 O THR A 21 14.136 -10.284 12.528 1.00 0.00 O ATOM 319 CB THR A 21 13.318 -7.367 14.093 1.00 0.00 C ATOM 320 OG1 THR A 21 12.165 -7.454 13.246 1.00 0.00 O ATOM 321 CG2 THR A 21 13.654 -5.905 14.349 1.00 0.00 C ATOM 0 H THR A 21 14.132 -8.204 11.383 1.00 0.00 H new ATOM 0 HA THR A 21 15.420 -7.833 13.977 1.00 0.00 H new ATOM 0 HB THR A 21 13.105 -7.848 15.048 1.00 0.00 H new ATOM 0 HG1 THR A 21 11.377 -7.132 13.732 1.00 0.00 H new ATOM 0 HG21 THR A 21 12.798 -5.410 14.809 1.00 0.00 H new ATOM 0 HG22 THR A 21 14.513 -5.841 15.017 1.00 0.00 H new ATOM 0 HG23 THR A 21 13.892 -5.416 13.405 1.00 0.00 H new ATOM 329 N GLY A 22 14.248 -10.111 14.769 1.00 0.00 N ATOM 330 CA GLY A 22 14.038 -11.532 14.977 1.00 0.00 C ATOM 331 C GLY A 22 15.314 -12.335 14.824 1.00 0.00 C ATOM 332 O GLY A 22 15.507 -13.342 15.504 1.00 0.00 O ATOM 0 H GLY A 22 14.365 -9.565 15.623 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.628 -11.693 15.974 1.00 0.00 H new ATOM 0 HA3 GLY A 22 13.297 -11.895 14.265 1.00 0.00 H new ATOM 336 N GLY A 23 16.189 -11.887 13.927 1.00 0.00 N ATOM 337 CA GLY A 23 17.443 -12.580 13.703 1.00 0.00 C ATOM 338 C GLY A 23 18.413 -12.407 14.855 1.00 0.00 C ATOM 339 O GLY A 23 18.088 -11.770 15.858 1.00 0.00 O ATOM 0 H GLY A 23 16.050 -11.056 13.352 1.00 0.00 H new ATOM 0 HA2 GLY A 23 17.247 -13.642 13.553 1.00 0.00 H new ATOM 0 HA3 GLY A 23 17.902 -12.208 12.787 1.00 0.00 H new ATOM 343 N LYS A 24 19.605 -12.975 14.714 1.00 0.00 N ATOM 344 CA LYS A 24 20.624 -12.882 15.753 1.00 0.00 C ATOM 345 C LYS A 24 21.853 -12.134 15.248 1.00 0.00 C ATOM 346 O LYS A 24 22.815 -12.744 14.779 1.00 0.00 O ATOM 347 CB LYS A 24 21.023 -14.279 16.230 1.00 0.00 C ATOM 348 CG LYS A 24 20.291 -14.725 17.486 1.00 0.00 C ATOM 349 CD LYS A 24 20.926 -14.142 18.738 1.00 0.00 C ATOM 350 CE LYS A 24 19.930 -14.063 19.884 1.00 0.00 C ATOM 351 NZ LYS A 24 18.993 -12.917 19.728 1.00 0.00 N ATOM 0 H LYS A 24 19.890 -13.505 13.890 1.00 0.00 H new ATOM 0 HA LYS A 24 20.203 -12.325 16.590 1.00 0.00 H new ATOM 0 HB2 LYS A 24 20.828 -14.996 15.432 1.00 0.00 H new ATOM 0 HB3 LYS A 24 22.096 -14.297 16.419 1.00 0.00 H new ATOM 0 HG2 LYS A 24 19.247 -14.416 17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 24 20.299 -15.813 17.546 1.00 0.00 H new ATOM 0 HD2 LYS A 24 21.776 -14.756 19.035 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.312 -13.146 18.521 1.00 0.00 H new ATOM 0 HE2 LYS A 24 19.362 -14.992 19.936 1.00 0.00 H new ATOM 0 HE3 LYS A 24 20.468 -13.966 20.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 18.398 -12.837 20.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.536 -12.039 19.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 18.389 -13.073 18.896 1.00 0.00 H new ATOM 365 N ALA A 25 21.818 -10.808 15.349 1.00 0.00 N ATOM 366 CA ALA A 25 22.933 -9.979 14.907 1.00 0.00 C ATOM 367 C ALA A 25 24.190 -10.288 15.710 1.00 0.00 C ATOM 368 O ALA A 25 24.307 -9.897 16.872 1.00 0.00 O ATOM 369 CB ALA A 25 22.576 -8.504 15.024 1.00 0.00 C ATOM 0 H ALA A 25 21.030 -10.286 15.733 1.00 0.00 H new ATOM 0 HA ALA A 25 23.134 -10.207 13.860 1.00 0.00 H new ATOM 0 HB1 ALA A 25 23.418 -7.898 14.690 1.00 0.00 H new ATOM 0 HB2 ALA A 25 21.706 -8.290 14.403 1.00 0.00 H new ATOM 0 HB3 ALA A 25 22.347 -8.266 16.063 1.00 0.00 H new ATOM 375 N ILE A 26 25.130 -10.993 15.087 1.00 0.00 N ATOM 376 CA ILE A 26 26.377 -11.353 15.751 1.00 0.00 C ATOM 377 C ILE A 26 27.234 -10.117 16.004 1.00 0.00 C ATOM 378 O ILE A 26 28.233 -10.176 16.723 1.00 0.00 O ATOM 379 CB ILE A 26 27.188 -12.380 14.933 1.00 0.00 C ATOM 380 CG1 ILE A 26 27.825 -11.717 13.703 1.00 0.00 C ATOM 381 CG2 ILE A 26 26.304 -13.550 14.522 1.00 0.00 C ATOM 382 CD1 ILE A 26 26.862 -11.476 12.560 1.00 0.00 C ATOM 0 H ILE A 26 25.052 -11.325 14.126 1.00 0.00 H new ATOM 0 HA ILE A 26 26.107 -11.809 16.704 1.00 0.00 H new ATOM 0 HB ILE A 26 27.992 -12.763 15.562 1.00 0.00 H new ATOM 0 HG12 ILE A 26 28.261 -10.764 14.003 1.00 0.00 H new ATOM 0 HG13 ILE A 26 28.643 -12.345 13.348 1.00 0.00 H new ATOM 0 HG21 ILE A 26 26.891 -14.265 13.946 1.00 0.00 H new ATOM 0 HG22 ILE A 26 25.910 -14.039 15.413 1.00 0.00 H new ATOM 0 HG23 ILE A 26 25.477 -13.185 13.912 1.00 0.00 H new ATOM 0 HD11 ILE A 26 27.391 -11.005 11.731 1.00 0.00 H new ATOM 0 HD12 ILE A 26 26.444 -12.427 12.230 1.00 0.00 H new ATOM 0 HD13 ILE A 26 26.057 -10.822 12.894 1.00 0.00 H new ATOM 394 N SER A 27 26.830 -9.000 15.410 1.00 0.00 N ATOM 395 CA SER A 27 27.547 -7.741 15.565 1.00 0.00 C ATOM 396 C SER A 27 26.749 -6.593 14.965 1.00 0.00 C ATOM 397 O SER A 27 26.117 -6.741 13.920 1.00 0.00 O ATOM 398 CB SER A 27 28.925 -7.824 14.906 1.00 0.00 C ATOM 399 OG SER A 27 29.362 -6.548 14.473 1.00 0.00 O ATOM 0 H SER A 27 26.005 -8.941 14.813 1.00 0.00 H new ATOM 0 HA SER A 27 27.679 -7.554 16.631 1.00 0.00 H new ATOM 0 HB2 SER A 27 29.645 -8.238 15.612 1.00 0.00 H new ATOM 0 HB3 SER A 27 28.884 -8.505 14.056 1.00 0.00 H new ATOM 0 HG SER A 27 30.277 -6.615 14.130 1.00 0.00 H new ATOM 405 N GLU A 28 26.779 -5.451 15.637 1.00 0.00 N ATOM 406 CA GLU A 28 26.056 -4.275 15.176 1.00 0.00 C ATOM 407 C GLU A 28 26.966 -3.054 15.173 1.00 0.00 C ATOM 408 O GLU A 28 27.787 -2.876 16.072 1.00 0.00 O ATOM 409 CB GLU A 28 24.842 -4.011 16.067 1.00 0.00 C ATOM 410 CG GLU A 28 24.385 -5.227 16.859 1.00 0.00 C ATOM 411 CD GLU A 28 24.227 -4.936 18.339 1.00 0.00 C ATOM 412 OE1 GLU A 28 24.166 -3.743 18.707 1.00 0.00 O ATOM 413 OE2 GLU A 28 24.165 -5.900 19.130 1.00 0.00 O ATOM 0 H GLU A 28 27.297 -5.314 16.505 1.00 0.00 H new ATOM 0 HA GLU A 28 25.715 -4.464 14.158 1.00 0.00 H new ATOM 0 HB2 GLU A 28 25.081 -3.206 16.762 1.00 0.00 H new ATOM 0 HB3 GLU A 28 24.017 -3.662 15.446 1.00 0.00 H new ATOM 0 HG2 GLU A 28 23.435 -5.580 16.459 1.00 0.00 H new ATOM 0 HG3 GLU A 28 25.106 -6.034 16.726 1.00 0.00 H new ATOM 420 N ALA A 29 26.815 -2.216 14.155 1.00 0.00 N ATOM 421 CA ALA A 29 27.626 -1.010 14.036 1.00 0.00 C ATOM 422 C ALA A 29 26.758 0.242 14.020 1.00 0.00 C ATOM 423 O ALA A 29 26.235 0.632 12.977 1.00 0.00 O ATOM 424 CB ALA A 29 28.480 -1.071 12.780 1.00 0.00 C ATOM 0 H ALA A 29 26.140 -2.348 13.401 1.00 0.00 H new ATOM 0 HA ALA A 29 28.278 -0.958 14.908 1.00 0.00 H new ATOM 0 HB1 ALA A 29 29.080 -0.164 12.704 1.00 0.00 H new ATOM 0 HB2 ALA A 29 29.138 -1.939 12.829 1.00 0.00 H new ATOM 0 HB3 ALA A 29 27.835 -1.154 11.905 1.00 0.00 H new ATOM 430 N LYS A 30 26.612 0.870 15.183 1.00 0.00 N ATOM 431 CA LYS A 30 25.811 2.084 15.300 1.00 0.00 C ATOM 432 C LYS A 30 26.339 3.168 14.365 1.00 0.00 C ATOM 433 O LYS A 30 27.208 3.956 14.739 1.00 0.00 O ATOM 434 CB LYS A 30 25.813 2.590 16.745 1.00 0.00 C ATOM 435 CG LYS A 30 27.171 2.497 17.422 1.00 0.00 C ATOM 436 CD LYS A 30 27.174 1.451 18.525 1.00 0.00 C ATOM 437 CE LYS A 30 27.137 2.094 19.901 1.00 0.00 C ATOM 438 NZ LYS A 30 28.462 2.035 20.579 1.00 0.00 N ATOM 0 H LYS A 30 27.037 0.559 16.056 1.00 0.00 H new ATOM 0 HA LYS A 30 24.787 1.845 15.013 1.00 0.00 H new ATOM 0 HB2 LYS A 30 25.481 3.628 16.758 1.00 0.00 H new ATOM 0 HB3 LYS A 30 25.089 2.016 17.323 1.00 0.00 H new ATOM 0 HG2 LYS A 30 27.931 2.248 16.682 1.00 0.00 H new ATOM 0 HG3 LYS A 30 27.438 3.468 17.839 1.00 0.00 H new ATOM 0 HD2 LYS A 30 26.313 0.793 18.406 1.00 0.00 H new ATOM 0 HD3 LYS A 30 28.065 0.829 18.436 1.00 0.00 H new ATOM 0 HE2 LYS A 30 26.823 3.134 19.807 1.00 0.00 H new ATOM 0 HE3 LYS A 30 26.392 1.591 20.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 28.394 2.484 21.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 28.750 1.042 20.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 29.169 2.537 20.005 1.00 0.00 H new ATOM 452 N ALA A 31 25.816 3.193 13.144 1.00 0.00 N ATOM 453 CA ALA A 31 26.242 4.171 12.151 1.00 0.00 C ATOM 454 C ALA A 31 25.047 4.803 11.448 1.00 0.00 C ATOM 455 O ALA A 31 23.973 4.205 11.364 1.00 0.00 O ATOM 456 CB ALA A 31 27.162 3.513 11.133 1.00 0.00 C ATOM 0 H ALA A 31 25.097 2.547 12.819 1.00 0.00 H new ATOM 0 HA ALA A 31 26.785 4.963 12.667 1.00 0.00 H new ATOM 0 HB1 ALA A 31 27.475 4.251 10.395 1.00 0.00 H new ATOM 0 HB2 ALA A 31 28.039 3.113 11.641 1.00 0.00 H new ATOM 0 HB3 ALA A 31 26.631 2.703 10.633 1.00 0.00 H new ATOM 462 N ALA A 32 25.243 6.015 10.937 1.00 0.00 N ATOM 463 CA ALA A 32 24.186 6.729 10.234 1.00 0.00 C ATOM 464 C ALA A 32 24.286 6.501 8.730 1.00 0.00 C ATOM 465 O ALA A 32 23.476 7.016 7.957 1.00 0.00 O ATOM 466 CB ALA A 32 24.252 8.216 10.550 1.00 0.00 C ATOM 0 H ALA A 32 26.126 6.522 10.998 1.00 0.00 H new ATOM 0 HA ALA A 32 23.226 6.341 10.575 1.00 0.00 H new ATOM 0 HB1 ALA A 32 23.456 8.737 10.018 1.00 0.00 H new ATOM 0 HB2 ALA A 32 24.129 8.366 11.623 1.00 0.00 H new ATOM 0 HB3 ALA A 32 25.218 8.612 10.236 1.00 0.00 H new ATOM 472 N SER A 33 25.284 5.723 8.323 1.00 0.00 N ATOM 473 CA SER A 33 25.495 5.420 6.912 1.00 0.00 C ATOM 474 C SER A 33 25.922 3.968 6.729 1.00 0.00 C ATOM 475 O SER A 33 26.783 3.468 7.453 1.00 0.00 O ATOM 476 CB SER A 33 26.552 6.354 6.320 1.00 0.00 C ATOM 477 OG SER A 33 25.956 7.364 5.525 1.00 0.00 O ATOM 0 H SER A 33 25.960 5.290 8.952 1.00 0.00 H new ATOM 0 HA SER A 33 24.552 5.573 6.387 1.00 0.00 H new ATOM 0 HB2 SER A 33 27.127 6.813 7.124 1.00 0.00 H new ATOM 0 HB3 SER A 33 27.253 5.778 5.716 1.00 0.00 H new ATOM 0 HG SER A 33 26.654 7.948 5.161 1.00 0.00 H new ATOM 483 N SER A 34 25.312 3.296 5.758 1.00 0.00 N ATOM 484 CA SER A 34 25.624 1.900 5.478 1.00 0.00 C ATOM 485 C SER A 34 27.107 1.719 5.175 1.00 0.00 C ATOM 486 O SER A 34 27.688 0.675 5.476 1.00 0.00 O ATOM 487 CB SER A 34 24.794 1.402 4.297 1.00 0.00 C ATOM 488 OG SER A 34 23.524 2.028 4.264 1.00 0.00 O ATOM 0 H SER A 34 24.597 3.697 5.151 1.00 0.00 H new ATOM 0 HA SER A 34 25.379 1.316 6.366 1.00 0.00 H new ATOM 0 HB2 SER A 34 25.325 1.601 3.366 1.00 0.00 H new ATOM 0 HB3 SER A 34 24.668 0.322 4.367 1.00 0.00 H new ATOM 0 HG SER A 34 23.091 1.843 3.405 1.00 0.00 H new ATOM 494 N GLN A 35 27.711 2.739 4.575 1.00 0.00 N ATOM 495 CA GLN A 35 29.127 2.695 4.228 1.00 0.00 C ATOM 496 C GLN A 35 29.973 2.330 5.444 1.00 0.00 C ATOM 497 O GLN A 35 30.885 1.509 5.355 1.00 0.00 O ATOM 498 CB GLN A 35 29.570 4.044 3.655 1.00 0.00 C ATOM 499 CG GLN A 35 31.075 4.259 3.680 1.00 0.00 C ATOM 500 CD GLN A 35 31.792 3.494 2.585 1.00 0.00 C ATOM 501 OE1 GLN A 35 32.381 4.086 1.681 1.00 0.00 O ATOM 502 NE2 GLN A 35 31.746 2.169 2.661 1.00 0.00 N ATOM 0 H GLN A 35 27.241 3.607 4.319 1.00 0.00 H new ATOM 0 HA GLN A 35 29.273 1.925 3.471 1.00 0.00 H new ATOM 0 HB2 GLN A 35 29.218 4.124 2.626 1.00 0.00 H new ATOM 0 HB3 GLN A 35 29.089 4.843 4.219 1.00 0.00 H new ATOM 0 HG2 GLN A 35 31.288 5.323 3.574 1.00 0.00 H new ATOM 0 HG3 GLN A 35 31.466 3.951 4.649 1.00 0.00 H new ATOM 0 HE21 GLN A 35 31.246 1.719 3.428 1.00 0.00 H new ATOM 0 HE22 GLN A 35 32.211 1.601 1.952 1.00 0.00 H new ATOM 511 N ALA A 36 29.656 2.940 6.580 1.00 0.00 N ATOM 512 CA ALA A 36 30.379 2.673 7.816 1.00 0.00 C ATOM 513 C ALA A 36 30.160 1.234 8.262 1.00 0.00 C ATOM 514 O ALA A 36 31.037 0.618 8.870 1.00 0.00 O ATOM 515 CB ALA A 36 29.944 3.642 8.905 1.00 0.00 C ATOM 0 H ALA A 36 28.903 3.622 6.670 1.00 0.00 H new ATOM 0 HA ALA A 36 31.444 2.817 7.632 1.00 0.00 H new ATOM 0 HB1 ALA A 36 30.493 3.429 9.822 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.151 4.664 8.587 1.00 0.00 H new ATOM 0 HB3 ALA A 36 28.875 3.528 9.088 1.00 0.00 H new ATOM 521 N CYS A 37 28.985 0.700 7.945 1.00 0.00 N ATOM 522 CA CYS A 37 28.646 -0.673 8.298 1.00 0.00 C ATOM 523 C CYS A 37 29.375 -1.647 7.381 1.00 0.00 C ATOM 524 O CYS A 37 29.605 -2.801 7.738 1.00 0.00 O ATOM 525 CB CYS A 37 27.135 -0.892 8.200 1.00 0.00 C ATOM 526 SG CYS A 37 26.614 -2.621 8.439 1.00 0.00 S ATOM 0 H CYS A 37 28.250 1.199 7.443 1.00 0.00 H new ATOM 0 HA CYS A 37 28.959 -0.854 9.326 1.00 0.00 H new ATOM 0 HB2 CYS A 37 26.640 -0.269 8.945 1.00 0.00 H new ATOM 0 HB3 CYS A 37 26.793 -0.553 7.222 1.00 0.00 H new ATOM 531 N GLN A 38 29.744 -1.163 6.198 1.00 0.00 N ATOM 532 CA GLN A 38 30.456 -1.981 5.225 1.00 0.00 C ATOM 533 C GLN A 38 31.889 -2.222 5.682 1.00 0.00 C ATOM 534 O GLN A 38 32.384 -3.349 5.640 1.00 0.00 O ATOM 535 CB GLN A 38 30.452 -1.303 3.854 1.00 0.00 C ATOM 536 CG GLN A 38 29.070 -1.200 3.230 1.00 0.00 C ATOM 537 CD GLN A 38 28.821 -2.267 2.183 1.00 0.00 C ATOM 538 OE1 GLN A 38 28.913 -2.008 0.983 1.00 0.00 O ATOM 539 NE2 GLN A 38 28.504 -3.475 2.632 1.00 0.00 N ATOM 0 H GLN A 38 29.561 -0.208 5.891 1.00 0.00 H new ATOM 0 HA GLN A 38 29.946 -2.941 5.144 1.00 0.00 H new ATOM 0 HB2 GLN A 38 30.873 -0.302 3.952 1.00 0.00 H new ATOM 0 HB3 GLN A 38 31.105 -1.859 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 38 28.315 -1.281 4.012 1.00 0.00 H new ATOM 0 HG3 GLN A 38 28.953 -0.216 2.775 1.00 0.00 H new ATOM 0 HE21 GLN A 38 28.439 -3.645 3.636 1.00 0.00 H new ATOM 0 HE22 GLN A 38 28.326 -4.233 1.973 1.00 0.00 H new ATOM 548 N GLU A 39 32.549 -1.157 6.126 1.00 0.00 N ATOM 549 CA GLU A 39 33.920 -1.249 6.600 1.00 0.00 C ATOM 550 C GLU A 39 33.984 -2.035 7.904 1.00 0.00 C ATOM 551 O GLU A 39 34.925 -2.794 8.141 1.00 0.00 O ATOM 552 CB GLU A 39 34.501 0.150 6.801 1.00 0.00 C ATOM 553 CG GLU A 39 34.300 1.071 5.608 1.00 0.00 C ATOM 554 CD GLU A 39 35.401 2.105 5.478 1.00 0.00 C ATOM 555 OE1 GLU A 39 36.530 1.726 5.101 1.00 0.00 O ATOM 556 OE2 GLU A 39 35.134 3.293 5.752 1.00 0.00 O ATOM 0 H GLU A 39 32.152 -0.218 6.166 1.00 0.00 H new ATOM 0 HA GLU A 39 34.511 -1.774 5.850 1.00 0.00 H new ATOM 0 HB2 GLU A 39 34.041 0.602 7.680 1.00 0.00 H new ATOM 0 HB3 GLU A 39 35.568 0.065 7.008 1.00 0.00 H new ATOM 0 HG2 GLU A 39 34.257 0.475 4.697 1.00 0.00 H new ATOM 0 HG3 GLU A 39 33.340 1.578 5.703 1.00 0.00 H new ATOM 563 N LEU A 40 32.969 -1.852 8.741 1.00 0.00 N ATOM 564 CA LEU A 40 32.895 -2.545 10.020 1.00 0.00 C ATOM 565 C LEU A 40 32.742 -4.047 9.803 1.00 0.00 C ATOM 566 O LEU A 40 33.549 -4.839 10.288 1.00 0.00 O ATOM 567 CB LEU A 40 31.718 -1.999 10.843 1.00 0.00 C ATOM 568 CG LEU A 40 31.395 -2.745 12.147 1.00 0.00 C ATOM 569 CD1 LEU A 40 30.386 -3.855 11.893 1.00 0.00 C ATOM 570 CD2 LEU A 40 32.655 -3.305 12.790 1.00 0.00 C ATOM 0 H LEU A 40 32.184 -1.227 8.555 1.00 0.00 H new ATOM 0 HA LEU A 40 33.820 -2.371 10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 40 31.925 -0.957 11.087 1.00 0.00 H new ATOM 0 HB3 LEU A 40 30.828 -2.008 10.214 1.00 0.00 H new ATOM 0 HG LEU A 40 30.956 -2.028 12.841 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.170 -4.372 12.828 1.00 0.00 H new ATOM 0 HD12 LEU A 40 29.466 -3.427 11.494 1.00 0.00 H new ATOM 0 HD13 LEU A 40 30.798 -4.563 11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 32.393 -3.827 13.710 1.00 0.00 H new ATOM 0 HD22 LEU A 40 33.136 -4.001 12.103 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.340 -2.489 13.018 1.00 0.00 H new ATOM 582 N CYS A 41 31.703 -4.428 9.071 1.00 0.00 N ATOM 583 CA CYS A 41 31.444 -5.833 8.788 1.00 0.00 C ATOM 584 C CYS A 41 32.617 -6.462 8.040 1.00 0.00 C ATOM 585 O CYS A 41 32.830 -7.673 8.103 1.00 0.00 O ATOM 586 CB CYS A 41 30.158 -5.976 7.973 1.00 0.00 C ATOM 587 SG CYS A 41 30.173 -7.349 6.775 1.00 0.00 S ATOM 0 H CYS A 41 31.026 -3.783 8.663 1.00 0.00 H new ATOM 0 HA CYS A 41 31.324 -6.358 9.736 1.00 0.00 H new ATOM 0 HB2 CYS A 41 29.322 -6.117 8.658 1.00 0.00 H new ATOM 0 HB3 CYS A 41 29.977 -5.044 7.437 1.00 0.00 H new ATOM 592 N GLU A 42 33.379 -5.629 7.336 1.00 0.00 N ATOM 593 CA GLU A 42 34.533 -6.101 6.581 1.00 0.00 C ATOM 594 C GLU A 42 35.632 -6.580 7.526 1.00 0.00 C ATOM 595 O GLU A 42 36.347 -7.538 7.230 1.00 0.00 O ATOM 596 CB GLU A 42 35.056 -4.987 5.665 1.00 0.00 C ATOM 597 CG GLU A 42 36.561 -4.780 5.729 1.00 0.00 C ATOM 598 CD GLU A 42 37.096 -4.015 4.535 1.00 0.00 C ATOM 599 OE1 GLU A 42 36.782 -2.812 4.411 1.00 0.00 O ATOM 600 OE2 GLU A 42 37.830 -4.618 3.724 1.00 0.00 O ATOM 0 H GLU A 42 33.217 -4.624 7.274 1.00 0.00 H new ATOM 0 HA GLU A 42 34.225 -6.944 5.963 1.00 0.00 H new ATOM 0 HB2 GLU A 42 34.776 -5.216 4.637 1.00 0.00 H new ATOM 0 HB3 GLU A 42 34.561 -4.053 5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 42 36.811 -4.241 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 42 37.055 -5.750 5.785 1.00 0.00 H new ATOM 607 N LYS A 43 35.759 -5.907 8.665 1.00 0.00 N ATOM 608 CA LYS A 43 36.768 -6.262 9.655 1.00 0.00 C ATOM 609 C LYS A 43 36.378 -7.544 10.386 1.00 0.00 C ATOM 610 O LYS A 43 37.192 -8.142 11.090 1.00 0.00 O ATOM 611 CB LYS A 43 36.960 -5.114 10.653 1.00 0.00 C ATOM 612 CG LYS A 43 36.085 -5.216 11.892 1.00 0.00 C ATOM 613 CD LYS A 43 36.876 -5.706 13.093 1.00 0.00 C ATOM 614 CE LYS A 43 35.985 -6.424 14.094 1.00 0.00 C ATOM 615 NZ LYS A 43 36.382 -7.847 14.274 1.00 0.00 N ATOM 0 H LYS A 43 35.175 -5.112 8.925 1.00 0.00 H new ATOM 0 HA LYS A 43 37.712 -6.437 9.138 1.00 0.00 H new ATOM 0 HB2 LYS A 43 38.005 -5.085 10.961 1.00 0.00 H new ATOM 0 HB3 LYS A 43 36.750 -4.170 10.150 1.00 0.00 H new ATOM 0 HG2 LYS A 43 35.651 -4.241 12.114 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.256 -5.897 11.698 1.00 0.00 H new ATOM 0 HD2 LYS A 43 37.666 -6.379 12.759 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.362 -4.860 13.579 1.00 0.00 H new ATOM 0 HE2 LYS A 43 36.032 -5.910 15.054 1.00 0.00 H new ATOM 0 HE3 LYS A 43 34.950 -6.376 13.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 35.557 -8.401 14.580 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 36.738 -8.225 13.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 37.129 -7.911 14.995 1.00 0.00 H new ATOM 629 N ASP A 44 35.126 -7.959 10.213 1.00 0.00 N ATOM 630 CA ASP A 44 34.626 -9.171 10.853 1.00 0.00 C ATOM 631 C ASP A 44 34.676 -10.353 9.891 1.00 0.00 C ATOM 632 O ASP A 44 34.807 -10.174 8.680 1.00 0.00 O ATOM 633 CB ASP A 44 33.193 -8.957 11.345 1.00 0.00 C ATOM 634 CG ASP A 44 32.942 -9.606 12.692 1.00 0.00 C ATOM 635 OD1 ASP A 44 32.648 -10.820 12.721 1.00 0.00 O ATOM 636 OD2 ASP A 44 33.040 -8.902 13.719 1.00 0.00 O ATOM 0 H ASP A 44 34.440 -7.474 9.635 1.00 0.00 H new ATOM 0 HA ASP A 44 35.266 -9.394 11.707 1.00 0.00 H new ATOM 0 HB2 ASP A 44 32.992 -7.888 11.417 1.00 0.00 H new ATOM 0 HB3 ASP A 44 32.496 -9.364 10.613 1.00 0.00 H new ATOM 641 N ALA A 45 34.570 -11.560 10.437 1.00 0.00 N ATOM 642 CA ALA A 45 34.604 -12.771 9.626 1.00 0.00 C ATOM 643 C ALA A 45 33.307 -13.561 9.761 1.00 0.00 C ATOM 644 O ALA A 45 33.111 -14.571 9.085 1.00 0.00 O ATOM 645 CB ALA A 45 35.793 -13.636 10.018 1.00 0.00 C ATOM 0 H ALA A 45 34.460 -11.725 11.437 1.00 0.00 H new ATOM 0 HA ALA A 45 34.711 -12.475 8.582 1.00 0.00 H new ATOM 0 HB1 ALA A 45 35.806 -14.537 9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 45 36.716 -13.078 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 45 35.710 -13.914 11.069 1.00 0.00 H new ATOM 651 N LYS A 46 32.423 -13.094 10.638 1.00 0.00 N ATOM 652 CA LYS A 46 31.144 -13.757 10.861 1.00 0.00 C ATOM 653 C LYS A 46 30.011 -12.995 10.184 1.00 0.00 C ATOM 654 O LYS A 46 28.836 -13.309 10.375 1.00 0.00 O ATOM 655 CB LYS A 46 30.865 -13.880 12.360 1.00 0.00 C ATOM 656 CG LYS A 46 31.100 -15.278 12.910 1.00 0.00 C ATOM 657 CD LYS A 46 30.402 -15.475 14.246 1.00 0.00 C ATOM 658 CE LYS A 46 30.080 -16.939 14.496 1.00 0.00 C ATOM 659 NZ LYS A 46 31.233 -17.666 15.097 1.00 0.00 N ATOM 0 H LYS A 46 32.570 -12.259 11.205 1.00 0.00 H new ATOM 0 HA LYS A 46 31.199 -14.754 10.424 1.00 0.00 H new ATOM 0 HB2 LYS A 46 31.499 -13.176 12.898 1.00 0.00 H new ATOM 0 HB3 LYS A 46 29.832 -13.591 12.554 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.737 -16.017 12.196 1.00 0.00 H new ATOM 0 HG3 LYS A 46 32.170 -15.449 13.029 1.00 0.00 H new ATOM 0 HD2 LYS A 46 31.037 -15.099 15.048 1.00 0.00 H new ATOM 0 HD3 LYS A 46 29.482 -14.890 14.267 1.00 0.00 H new ATOM 0 HE2 LYS A 46 29.218 -17.013 15.159 1.00 0.00 H new ATOM 0 HE3 LYS A 46 29.801 -17.415 13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 30.973 -18.661 15.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 32.048 -17.617 14.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 31.484 -17.228 16.006 1.00 0.00 H new ATOM 673 N CYS A 47 30.372 -11.992 9.391 1.00 0.00 N ATOM 674 CA CYS A 47 29.386 -11.183 8.684 1.00 0.00 C ATOM 675 C CYS A 47 29.164 -11.707 7.269 1.00 0.00 C ATOM 676 O CYS A 47 30.118 -11.954 6.530 1.00 0.00 O ATOM 677 CB CYS A 47 29.836 -9.722 8.634 1.00 0.00 C ATOM 678 SG CYS A 47 28.834 -8.672 7.534 1.00 0.00 S ATOM 0 H CYS A 47 31.340 -11.720 9.222 1.00 0.00 H new ATOM 0 HA CYS A 47 28.443 -11.248 9.228 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.804 -9.308 9.642 1.00 0.00 H new ATOM 0 HB3 CYS A 47 30.875 -9.684 8.307 1.00 0.00 H new ATOM 683 N ARG A 48 27.899 -11.871 6.897 1.00 0.00 N ATOM 684 CA ARG A 48 27.547 -12.362 5.570 1.00 0.00 C ATOM 685 C ARG A 48 26.445 -11.509 4.951 1.00 0.00 C ATOM 686 O ARG A 48 26.485 -11.190 3.763 1.00 0.00 O ATOM 687 CB ARG A 48 27.098 -13.823 5.645 1.00 0.00 C ATOM 688 CG ARG A 48 27.930 -14.760 4.786 1.00 0.00 C ATOM 689 CD ARG A 48 27.681 -16.216 5.147 1.00 0.00 C ATOM 690 NE ARG A 48 28.800 -17.073 4.768 1.00 0.00 N ATOM 691 CZ ARG A 48 28.785 -17.879 3.709 1.00 0.00 C ATOM 692 NH1 ARG A 48 27.715 -17.936 2.929 1.00 0.00 N ATOM 693 NH2 ARG A 48 29.843 -18.629 3.430 1.00 0.00 N ATOM 0 H ARG A 48 27.099 -11.671 7.497 1.00 0.00 H new ATOM 0 HA ARG A 48 28.432 -12.295 4.938 1.00 0.00 H new ATOM 0 HB2 ARG A 48 27.145 -14.156 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 48 26.055 -13.890 5.336 1.00 0.00 H new ATOM 0 HG2 ARG A 48 27.692 -14.599 3.735 1.00 0.00 H new ATOM 0 HG3 ARG A 48 28.988 -14.528 4.912 1.00 0.00 H new ATOM 0 HD2 ARG A 48 27.508 -16.299 6.220 1.00 0.00 H new ATOM 0 HD3 ARG A 48 26.775 -16.563 4.651 1.00 0.00 H new ATOM 0 HE ARG A 48 29.640 -17.053 5.347 1.00 0.00 H new ATOM 0 HH11 ARG A 48 26.899 -17.361 3.139 1.00 0.00 H new ATOM 0 HH12 ARG A 48 27.707 -18.555 2.118 1.00 0.00 H new ATOM 0 HH21 ARG A 48 30.669 -18.588 4.027 1.00 0.00 H new ATOM 0 HH22 ARG A 48 29.831 -19.246 2.618 1.00 0.00 H new ATOM 707 N PHE A 49 25.464 -11.140 5.768 1.00 0.00 N ATOM 708 CA PHE A 49 24.349 -10.320 5.308 1.00 0.00 C ATOM 709 C PHE A 49 24.094 -9.163 6.269 1.00 0.00 C ATOM 710 O PHE A 49 23.339 -9.298 7.232 1.00 0.00 O ATOM 711 CB PHE A 49 23.083 -11.171 5.170 1.00 0.00 C ATOM 712 CG PHE A 49 23.242 -12.341 4.242 1.00 0.00 C ATOM 713 CD1 PHE A 49 23.223 -12.160 2.868 1.00 0.00 C ATOM 714 CD2 PHE A 49 23.408 -13.621 4.744 1.00 0.00 C ATOM 715 CE1 PHE A 49 23.369 -13.236 2.013 1.00 0.00 C ATOM 716 CE2 PHE A 49 23.553 -14.701 3.894 1.00 0.00 C ATOM 717 CZ PHE A 49 23.533 -14.507 2.526 1.00 0.00 C ATOM 0 H PHE A 49 25.419 -11.396 6.754 1.00 0.00 H new ATOM 0 HA PHE A 49 24.610 -9.910 4.332 1.00 0.00 H new ATOM 0 HB2 PHE A 49 22.792 -11.536 6.155 1.00 0.00 H new ATOM 0 HB3 PHE A 49 22.269 -10.541 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 49 23.093 -11.168 2.461 1.00 0.00 H new ATOM 0 HD2 PHE A 49 23.424 -13.777 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 49 23.355 -13.082 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 49 23.682 -15.694 4.298 1.00 0.00 H new ATOM 0 HZ PHE A 49 23.646 -15.349 1.859 1.00 0.00 H new ATOM 727 N PHE A 50 24.733 -8.029 6.003 1.00 0.00 N ATOM 728 CA PHE A 50 24.579 -6.850 6.848 1.00 0.00 C ATOM 729 C PHE A 50 23.216 -6.196 6.632 1.00 0.00 C ATOM 730 O PHE A 50 22.546 -6.447 5.629 1.00 0.00 O ATOM 731 CB PHE A 50 25.698 -5.843 6.565 1.00 0.00 C ATOM 732 CG PHE A 50 25.446 -4.975 5.364 1.00 0.00 C ATOM 733 CD1 PHE A 50 25.633 -5.471 4.083 1.00 0.00 C ATOM 734 CD2 PHE A 50 25.021 -3.666 5.517 1.00 0.00 C ATOM 735 CE1 PHE A 50 25.401 -4.675 2.977 1.00 0.00 C ATOM 736 CE2 PHE A 50 24.788 -2.865 4.416 1.00 0.00 C ATOM 737 CZ PHE A 50 24.978 -3.370 3.144 1.00 0.00 C ATOM 0 H PHE A 50 25.362 -7.901 5.210 1.00 0.00 H new ATOM 0 HA PHE A 50 24.644 -7.169 7.888 1.00 0.00 H new ATOM 0 HB2 PHE A 50 25.831 -5.206 7.440 1.00 0.00 H new ATOM 0 HB3 PHE A 50 26.633 -6.384 6.420 1.00 0.00 H new ATOM 0 HD1 PHE A 50 25.963 -6.490 3.948 1.00 0.00 H new ATOM 0 HD2 PHE A 50 24.870 -3.267 6.509 1.00 0.00 H new ATOM 0 HE1 PHE A 50 25.550 -5.072 1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 50 24.458 -1.845 4.549 1.00 0.00 H new ATOM 0 HZ PHE A 50 24.796 -2.746 2.282 1.00 0.00 H new ATOM 747 N THR A 51 22.815 -5.357 7.581 1.00 0.00 N ATOM 748 CA THR A 51 21.536 -4.664 7.502 1.00 0.00 C ATOM 749 C THR A 51 21.545 -3.401 8.359 1.00 0.00 C ATOM 750 O THR A 51 21.395 -3.465 9.580 1.00 0.00 O ATOM 751 CB THR A 51 20.375 -5.578 7.948 1.00 0.00 C ATOM 752 OG1 THR A 51 20.190 -6.629 6.992 1.00 0.00 O ATOM 753 CG2 THR A 51 19.081 -4.790 8.094 1.00 0.00 C ATOM 0 H THR A 51 23.360 -5.141 8.416 1.00 0.00 H new ATOM 0 HA THR A 51 21.384 -4.387 6.459 1.00 0.00 H new ATOM 0 HB THR A 51 20.631 -6.003 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 51 20.907 -6.595 6.325 1.00 0.00 H new ATOM 0 HG21 THR A 51 18.281 -5.460 8.409 1.00 0.00 H new ATOM 0 HG22 THR A 51 19.214 -4.007 8.841 1.00 0.00 H new ATOM 0 HG23 THR A 51 18.820 -4.338 7.137 1.00 0.00 H new ATOM 761 N LEU A 52 21.727 -2.255 7.709 1.00 0.00 N ATOM 762 CA LEU A 52 21.761 -0.974 8.406 1.00 0.00 C ATOM 763 C LEU A 52 20.355 -0.400 8.558 1.00 0.00 C ATOM 764 O LEU A 52 19.439 -0.773 7.825 1.00 0.00 O ATOM 765 CB LEU A 52 22.652 0.015 7.650 1.00 0.00 C ATOM 766 CG LEU A 52 22.839 1.374 8.330 1.00 0.00 C ATOM 767 CD1 LEU A 52 24.268 1.531 8.825 1.00 0.00 C ATOM 768 CD2 LEU A 52 22.478 2.501 7.374 1.00 0.00 C ATOM 0 H LEU A 52 21.853 -2.188 6.699 1.00 0.00 H new ATOM 0 HA LEU A 52 22.175 -1.138 9.401 1.00 0.00 H new ATOM 0 HB2 LEU A 52 23.632 -0.440 7.507 1.00 0.00 H new ATOM 0 HB3 LEU A 52 22.228 0.178 6.659 1.00 0.00 H new ATOM 0 HG LEU A 52 22.171 1.424 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 52 24.382 2.503 9.305 1.00 0.00 H new ATOM 0 HD12 LEU A 52 24.493 0.743 9.543 1.00 0.00 H new ATOM 0 HD13 LEU A 52 24.955 1.460 7.982 1.00 0.00 H new ATOM 0 HD21 LEU A 52 22.617 3.460 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 52 23.121 2.453 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 52 21.437 2.399 7.067 1.00 0.00 H new ATOM 780 N ALA A 53 20.194 0.509 9.514 1.00 0.00 N ATOM 781 CA ALA A 53 18.902 1.138 9.763 1.00 0.00 C ATOM 782 C ALA A 53 19.020 2.657 9.734 1.00 0.00 C ATOM 783 O ALA A 53 19.984 3.205 9.198 1.00 0.00 O ATOM 784 CB ALA A 53 18.339 0.672 11.097 1.00 0.00 C ATOM 0 H ALA A 53 20.943 0.827 10.129 1.00 0.00 H new ATOM 0 HA ALA A 53 18.217 0.839 8.970 1.00 0.00 H new ATOM 0 HB1 ALA A 53 17.374 1.149 11.271 1.00 0.00 H new ATOM 0 HB2 ALA A 53 18.211 -0.410 11.080 1.00 0.00 H new ATOM 0 HB3 ALA A 53 19.028 0.943 11.897 1.00 0.00 H new ATOM 790 N SER A 54 18.033 3.333 10.315 1.00 0.00 N ATOM 791 CA SER A 54 18.025 4.791 10.358 1.00 0.00 C ATOM 792 C SER A 54 19.277 5.326 11.046 1.00 0.00 C ATOM 793 O SER A 54 19.646 6.487 10.868 1.00 0.00 O ATOM 794 CB SER A 54 16.775 5.292 11.085 1.00 0.00 C ATOM 795 OG SER A 54 16.352 6.542 10.570 1.00 0.00 O ATOM 0 H SER A 54 17.228 2.894 10.763 1.00 0.00 H new ATOM 0 HA SER A 54 18.014 5.159 9.332 1.00 0.00 H new ATOM 0 HB2 SER A 54 15.973 4.562 10.980 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.984 5.386 12.151 1.00 0.00 H new ATOM 0 HG SER A 54 15.551 6.839 11.050 1.00 0.00 H new ATOM 801 N GLY A 55 19.926 4.472 11.832 1.00 0.00 N ATOM 802 CA GLY A 55 21.131 4.877 12.533 1.00 0.00 C ATOM 803 C GLY A 55 21.755 3.744 13.322 1.00 0.00 C ATOM 804 O GLY A 55 22.308 3.961 14.400 1.00 0.00 O ATOM 0 H GLY A 55 19.639 3.507 11.996 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.856 5.256 11.813 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.895 5.699 13.209 1.00 0.00 H new ATOM 808 N LYS A 56 21.667 2.533 12.784 1.00 0.00 N ATOM 809 CA LYS A 56 22.228 1.360 13.445 1.00 0.00 C ATOM 810 C LYS A 56 22.386 0.201 12.466 1.00 0.00 C ATOM 811 O LYS A 56 21.411 -0.259 11.872 1.00 0.00 O ATOM 812 CB LYS A 56 21.342 0.934 14.616 1.00 0.00 C ATOM 813 CG LYS A 56 22.119 0.372 15.796 1.00 0.00 C ATOM 814 CD LYS A 56 21.297 0.405 17.073 1.00 0.00 C ATOM 815 CE LYS A 56 21.065 -0.993 17.623 1.00 0.00 C ATOM 816 NZ LYS A 56 22.317 -1.594 18.160 1.00 0.00 N ATOM 0 H LYS A 56 21.213 2.337 11.892 1.00 0.00 H new ATOM 0 HA LYS A 56 23.215 1.629 13.822 1.00 0.00 H new ATOM 0 HB2 LYS A 56 20.760 1.792 14.951 1.00 0.00 H new ATOM 0 HB3 LYS A 56 20.632 0.183 14.269 1.00 0.00 H new ATOM 0 HG2 LYS A 56 22.417 -0.654 15.581 1.00 0.00 H new ATOM 0 HG3 LYS A 56 23.034 0.947 15.937 1.00 0.00 H new ATOM 0 HD2 LYS A 56 21.809 1.011 17.821 1.00 0.00 H new ATOM 0 HD3 LYS A 56 20.338 0.884 16.877 1.00 0.00 H new ATOM 0 HE2 LYS A 56 20.314 -0.952 18.412 1.00 0.00 H new ATOM 0 HE3 LYS A 56 20.665 -1.631 16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 22.382 -2.587 17.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 23.138 -1.068 17.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 22.307 -1.547 19.199 1.00 0.00 H new ATOM 830 N CYS A 57 23.620 -0.266 12.309 1.00 0.00 N ATOM 831 CA CYS A 57 23.912 -1.374 11.407 1.00 0.00 C ATOM 832 C CYS A 57 23.862 -2.703 12.154 1.00 0.00 C ATOM 833 O CYS A 57 24.104 -2.755 13.360 1.00 0.00 O ATOM 834 CB CYS A 57 25.286 -1.181 10.760 1.00 0.00 C ATOM 835 SG CYS A 57 26.181 -2.731 10.419 1.00 0.00 S ATOM 0 H CYS A 57 24.435 0.106 12.796 1.00 0.00 H new ATOM 0 HA CYS A 57 23.154 -1.391 10.624 1.00 0.00 H new ATOM 0 HB2 CYS A 57 25.160 -0.635 9.825 1.00 0.00 H new ATOM 0 HB3 CYS A 57 25.898 -0.559 11.413 1.00 0.00 H new ATOM 840 N SER A 58 23.550 -3.774 11.432 1.00 0.00 N ATOM 841 CA SER A 58 23.472 -5.102 12.031 1.00 0.00 C ATOM 842 C SER A 58 23.808 -6.182 11.010 1.00 0.00 C ATOM 843 O SER A 58 23.096 -6.355 10.021 1.00 0.00 O ATOM 844 CB SER A 58 22.076 -5.347 12.604 1.00 0.00 C ATOM 845 OG SER A 58 21.748 -4.378 13.585 1.00 0.00 O ATOM 0 H SER A 58 23.347 -3.749 10.433 1.00 0.00 H new ATOM 0 HA SER A 58 24.203 -5.149 12.838 1.00 0.00 H new ATOM 0 HB2 SER A 58 21.340 -5.319 11.801 1.00 0.00 H new ATOM 0 HB3 SER A 58 22.030 -6.343 13.043 1.00 0.00 H new ATOM 0 HG SER A 58 20.850 -4.557 13.934 1.00 0.00 H new ATOM 851 N LEU A 59 24.890 -6.911 11.259 1.00 0.00 N ATOM 852 CA LEU A 59 25.311 -7.979 10.362 1.00 0.00 C ATOM 853 C LEU A 59 24.784 -9.323 10.851 1.00 0.00 C ATOM 854 O LEU A 59 24.614 -9.531 12.053 1.00 0.00 O ATOM 855 CB LEU A 59 26.838 -8.021 10.245 1.00 0.00 C ATOM 856 CG LEU A 59 27.603 -7.214 11.299 1.00 0.00 C ATOM 857 CD1 LEU A 59 28.972 -7.827 11.543 1.00 0.00 C ATOM 858 CD2 LEU A 59 27.738 -5.763 10.869 1.00 0.00 C ATOM 0 H LEU A 59 25.490 -6.782 12.073 1.00 0.00 H new ATOM 0 HA LEU A 59 24.896 -7.777 9.375 1.00 0.00 H new ATOM 0 HB2 LEU A 59 27.161 -9.060 10.304 1.00 0.00 H new ATOM 0 HB3 LEU A 59 27.119 -7.655 9.258 1.00 0.00 H new ATOM 0 HG LEU A 59 27.039 -7.243 12.231 1.00 0.00 H new ATOM 0 HD11 LEU A 59 29.504 -7.243 12.294 1.00 0.00 H new ATOM 0 HD12 LEU A 59 28.854 -8.851 11.896 1.00 0.00 H new ATOM 0 HD13 LEU A 59 29.541 -7.827 10.614 1.00 0.00 H new ATOM 0 HD21 LEU A 59 28.284 -5.207 11.631 1.00 0.00 H new ATOM 0 HD22 LEU A 59 28.280 -5.712 9.925 1.00 0.00 H new ATOM 0 HD23 LEU A 59 26.747 -5.327 10.742 1.00 0.00 H new ATOM 870 N PHE A 60 24.515 -10.229 9.916 1.00 0.00 N ATOM 871 CA PHE A 60 23.997 -11.548 10.261 1.00 0.00 C ATOM 872 C PHE A 60 24.719 -12.643 9.485 1.00 0.00 C ATOM 873 O PHE A 60 24.777 -12.614 8.256 1.00 0.00 O ATOM 874 CB PHE A 60 22.493 -11.614 9.981 1.00 0.00 C ATOM 875 CG PHE A 60 21.731 -10.448 10.544 1.00 0.00 C ATOM 876 CD1 PHE A 60 21.310 -10.452 11.863 1.00 0.00 C ATOM 877 CD2 PHE A 60 21.443 -9.346 9.756 1.00 0.00 C ATOM 878 CE1 PHE A 60 20.615 -9.379 12.387 1.00 0.00 C ATOM 879 CE2 PHE A 60 20.751 -8.268 10.275 1.00 0.00 C ATOM 880 CZ PHE A 60 20.336 -8.284 11.591 1.00 0.00 C ATOM 0 H PHE A 60 24.647 -10.074 8.916 1.00 0.00 H new ATOM 0 HA PHE A 60 24.172 -11.711 11.324 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.333 -11.658 8.904 1.00 0.00 H new ATOM 0 HB3 PHE A 60 22.093 -12.537 10.400 1.00 0.00 H new ATOM 0 HD1 PHE A 60 21.528 -11.304 12.490 1.00 0.00 H new ATOM 0 HD2 PHE A 60 21.763 -9.329 8.725 1.00 0.00 H new ATOM 0 HE1 PHE A 60 20.290 -9.396 13.417 1.00 0.00 H new ATOM 0 HE2 PHE A 60 20.535 -7.413 9.651 1.00 0.00 H new ATOM 0 HZ PHE A 60 19.794 -7.443 11.998 1.00 0.00 H new ATOM 890 N ALA A 61 25.268 -13.611 10.215 1.00 0.00 N ATOM 891 CA ALA A 61 25.985 -14.721 9.600 1.00 0.00 C ATOM 892 C ALA A 61 25.033 -15.632 8.831 1.00 0.00 C ATOM 893 O ALA A 61 23.916 -15.239 8.498 1.00 0.00 O ATOM 894 CB ALA A 61 26.737 -15.512 10.661 1.00 0.00 C ATOM 0 H ALA A 61 25.229 -13.648 11.234 1.00 0.00 H new ATOM 0 HA ALA A 61 26.703 -14.311 8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 61 27.269 -16.339 10.190 1.00 0.00 H new ATOM 0 HB2 ALA A 61 27.452 -14.860 11.163 1.00 0.00 H new ATOM 0 HB3 ALA A 61 26.030 -15.905 11.391 1.00 0.00 H new ATOM 900 N ASP A 62 25.483 -16.853 8.553 1.00 0.00 N ATOM 901 CA ASP A 62 24.671 -17.820 7.824 1.00 0.00 C ATOM 902 C ASP A 62 23.395 -18.148 8.594 1.00 0.00 C ATOM 903 O ASP A 62 23.392 -19.012 9.471 1.00 0.00 O ATOM 904 CB ASP A 62 25.471 -19.099 7.570 1.00 0.00 C ATOM 905 CG ASP A 62 25.191 -19.692 6.202 1.00 0.00 C ATOM 906 OD1 ASP A 62 24.036 -20.095 5.955 1.00 0.00 O ATOM 907 OD2 ASP A 62 26.129 -19.754 5.379 1.00 0.00 O ATOM 0 H ASP A 62 26.406 -17.195 8.822 1.00 0.00 H new ATOM 0 HA ASP A 62 24.393 -17.378 6.867 1.00 0.00 H new ATOM 0 HB2 ASP A 62 26.536 -18.882 7.659 1.00 0.00 H new ATOM 0 HB3 ASP A 62 25.230 -19.834 8.338 1.00 0.00 H new ATOM 912 N ASP A 63 22.313 -17.451 8.260 1.00 0.00 N ATOM 913 CA ASP A 63 21.031 -17.666 8.920 1.00 0.00 C ATOM 914 C ASP A 63 19.880 -17.194 8.038 1.00 0.00 C ATOM 915 O ASP A 63 20.076 -16.866 6.867 1.00 0.00 O ATOM 916 CB ASP A 63 20.996 -16.932 10.262 1.00 0.00 C ATOM 917 CG ASP A 63 20.559 -17.832 11.402 1.00 0.00 C ATOM 918 OD1 ASP A 63 19.449 -18.398 11.319 1.00 0.00 O ATOM 919 OD2 ASP A 63 21.328 -17.970 12.377 1.00 0.00 O ATOM 0 H ASP A 63 22.299 -16.733 7.536 1.00 0.00 H new ATOM 0 HA ASP A 63 20.915 -18.735 9.096 1.00 0.00 H new ATOM 0 HB2 ASP A 63 21.986 -16.530 10.479 1.00 0.00 H new ATOM 0 HB3 ASP A 63 20.316 -16.083 10.191 1.00 0.00 H new ATOM 924 N ALA A 64 18.679 -17.160 8.608 1.00 0.00 N ATOM 925 CA ALA A 64 17.495 -16.727 7.876 1.00 0.00 C ATOM 926 C ALA A 64 16.328 -16.468 8.822 1.00 0.00 C ATOM 927 O ALA A 64 15.178 -16.367 8.394 1.00 0.00 O ATOM 928 CB ALA A 64 17.109 -17.767 6.834 1.00 0.00 C ATOM 0 H ALA A 64 18.501 -17.428 9.576 1.00 0.00 H new ATOM 0 HA ALA A 64 17.734 -15.791 7.370 1.00 0.00 H new ATOM 0 HB1 ALA A 64 16.223 -17.431 6.295 1.00 0.00 H new ATOM 0 HB2 ALA A 64 17.932 -17.901 6.132 1.00 0.00 H new ATOM 0 HB3 ALA A 64 16.895 -18.715 7.328 1.00 0.00 H new ATOM 934 N ALA A 65 16.632 -16.362 10.112 1.00 0.00 N ATOM 935 CA ALA A 65 15.609 -16.115 11.122 1.00 0.00 C ATOM 936 C ALA A 65 15.314 -14.626 11.252 1.00 0.00 C ATOM 937 O ALA A 65 14.657 -14.194 12.201 1.00 0.00 O ATOM 938 CB ALA A 65 16.042 -16.689 12.462 1.00 0.00 C ATOM 0 H ALA A 65 17.579 -16.443 10.482 1.00 0.00 H new ATOM 0 HA ALA A 65 14.693 -16.613 10.805 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.269 -16.498 13.207 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.194 -17.764 12.365 1.00 0.00 H new ATOM 0 HB3 ALA A 65 16.973 -16.217 12.776 1.00 0.00 H new ATOM 944 N LEU A 66 15.801 -13.844 10.295 1.00 0.00 N ATOM 945 CA LEU A 66 15.590 -12.401 10.303 1.00 0.00 C ATOM 946 C LEU A 66 14.498 -12.005 9.313 1.00 0.00 C ATOM 947 O LEU A 66 14.428 -12.538 8.205 1.00 0.00 O ATOM 948 CB LEU A 66 16.890 -11.669 9.965 1.00 0.00 C ATOM 949 CG LEU A 66 17.717 -12.303 8.844 1.00 0.00 C ATOM 950 CD1 LEU A 66 17.950 -11.301 7.724 1.00 0.00 C ATOM 951 CD2 LEU A 66 19.041 -12.820 9.385 1.00 0.00 C ATOM 0 H LEU A 66 16.345 -14.186 9.503 1.00 0.00 H new ATOM 0 HA LEU A 66 15.271 -12.113 11.305 1.00 0.00 H new ATOM 0 HB2 LEU A 66 16.649 -10.644 9.683 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.504 -11.617 10.864 1.00 0.00 H new ATOM 0 HG LEU A 66 17.160 -13.148 8.439 1.00 0.00 H new ATOM 0 HD11 LEU A 66 18.540 -11.768 6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.991 -10.979 7.318 1.00 0.00 H new ATOM 0 HD13 LEU A 66 18.487 -10.437 8.115 1.00 0.00 H new ATOM 0 HD21 LEU A 66 19.616 -13.267 8.574 1.00 0.00 H new ATOM 0 HD22 LEU A 66 19.605 -11.993 9.817 1.00 0.00 H new ATOM 0 HD23 LEU A 66 18.852 -13.570 10.153 1.00 0.00 H new ATOM 963 N ARG A 67 13.650 -11.068 9.722 1.00 0.00 N ATOM 964 CA ARG A 67 12.559 -10.599 8.873 1.00 0.00 C ATOM 965 C ARG A 67 12.339 -9.097 9.050 1.00 0.00 C ATOM 966 O ARG A 67 12.812 -8.502 10.017 1.00 0.00 O ATOM 967 CB ARG A 67 11.270 -11.355 9.200 1.00 0.00 C ATOM 968 CG ARG A 67 10.989 -12.515 8.260 1.00 0.00 C ATOM 969 CD ARG A 67 9.512 -12.608 7.915 1.00 0.00 C ATOM 970 NE ARG A 67 8.734 -13.209 8.995 1.00 0.00 N ATOM 971 CZ ARG A 67 7.903 -14.233 8.825 1.00 0.00 C ATOM 972 NH1 ARG A 67 7.742 -14.768 7.623 1.00 0.00 N ATOM 973 NH2 ARG A 67 7.232 -14.723 9.859 1.00 0.00 N ATOM 0 H ARG A 67 13.696 -10.618 10.636 1.00 0.00 H new ATOM 0 HA ARG A 67 12.832 -10.790 7.835 1.00 0.00 H new ATOM 0 HB2 ARG A 67 11.329 -11.732 10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 67 10.432 -10.659 9.165 1.00 0.00 H new ATOM 0 HG2 ARG A 67 11.570 -12.393 7.346 1.00 0.00 H new ATOM 0 HG3 ARG A 67 11.315 -13.447 8.723 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.126 -11.611 7.702 1.00 0.00 H new ATOM 0 HD3 ARG A 67 9.388 -13.199 7.007 1.00 0.00 H new ATOM 0 HE ARG A 67 8.834 -12.821 9.933 1.00 0.00 H new ATOM 0 HH11 ARG A 67 8.256 -14.394 6.825 1.00 0.00 H new ATOM 0 HH12 ARG A 67 7.104 -15.553 7.496 1.00 0.00 H new ATOM 0 HH21 ARG A 67 7.353 -14.314 10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.595 -15.509 9.727 1.00 0.00 H new ATOM 987 N PRO A 68 11.612 -8.465 8.112 1.00 0.00 N ATOM 988 CA PRO A 68 11.327 -7.027 8.171 1.00 0.00 C ATOM 989 C PRO A 68 10.393 -6.670 9.321 1.00 0.00 C ATOM 990 O PRO A 68 9.776 -7.546 9.928 1.00 0.00 O ATOM 991 CB PRO A 68 10.651 -6.743 6.826 1.00 0.00 C ATOM 992 CG PRO A 68 10.063 -8.048 6.416 1.00 0.00 C ATOM 993 CD PRO A 68 11.006 -9.100 6.928 1.00 0.00 C ATOM 0 HA PRO A 68 12.229 -6.439 8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 68 9.883 -5.976 6.923 1.00 0.00 H new ATOM 0 HB3 PRO A 68 11.370 -6.384 6.090 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.066 -8.178 6.838 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.961 -8.108 5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.480 -10.019 7.189 1.00 0.00 H new ATOM 0 HD3 PRO A 68 11.758 -9.363 6.184 1.00 0.00 H new ATOM 1001 N THR A 69 10.291 -5.377 9.616 1.00 0.00 N ATOM 1002 CA THR A 69 9.431 -4.905 10.695 1.00 0.00 C ATOM 1003 C THR A 69 8.748 -3.592 10.320 1.00 0.00 C ATOM 1004 O THR A 69 7.576 -3.578 9.944 1.00 0.00 O ATOM 1005 CB THR A 69 10.219 -4.714 12.006 1.00 0.00 C ATOM 1006 OG1 THR A 69 9.606 -3.696 12.806 1.00 0.00 O ATOM 1007 CG2 THR A 69 11.667 -4.340 11.724 1.00 0.00 C ATOM 0 H THR A 69 10.793 -4.639 9.123 1.00 0.00 H new ATOM 0 HA THR A 69 8.672 -5.672 10.852 1.00 0.00 H new ATOM 0 HB THR A 69 10.205 -5.660 12.548 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.113 -3.584 13.637 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.200 -4.211 12.666 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.141 -5.132 11.144 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.699 -3.408 11.159 1.00 0.00 H new ATOM 1015 N LYS A 70 9.490 -2.495 10.424 1.00 0.00 N ATOM 1016 CA LYS A 70 8.960 -1.176 10.096 1.00 0.00 C ATOM 1017 C LYS A 70 10.073 -0.134 10.075 1.00 0.00 C ATOM 1018 O LYS A 70 10.776 0.058 11.068 1.00 0.00 O ATOM 1019 CB LYS A 70 7.885 -0.767 11.105 1.00 0.00 C ATOM 1020 CG LYS A 70 6.491 -0.678 10.506 1.00 0.00 C ATOM 1021 CD LYS A 70 5.430 -0.519 11.583 1.00 0.00 C ATOM 1022 CE LYS A 70 4.172 -1.302 11.246 1.00 0.00 C ATOM 1023 NZ LYS A 70 3.244 -1.388 12.407 1.00 0.00 N ATOM 0 H LYS A 70 10.462 -2.493 10.733 1.00 0.00 H new ATOM 0 HA LYS A 70 8.514 -1.229 9.103 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.874 -1.487 11.924 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.150 0.200 11.534 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.443 0.167 9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.287 -1.576 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.827 -0.860 12.539 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.183 0.536 11.699 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.662 -0.827 10.408 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.445 -2.307 10.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 2.399 -1.930 12.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.722 -1.864 13.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.963 -0.430 12.698 1.00 0.00 H new ATOM 1037 N SER A 71 10.227 0.537 8.938 1.00 0.00 N ATOM 1038 CA SER A 71 11.254 1.562 8.787 1.00 0.00 C ATOM 1039 C SER A 71 11.001 2.407 7.542 1.00 0.00 C ATOM 1040 O SER A 71 10.155 2.072 6.714 1.00 0.00 O ATOM 1041 CB SER A 71 12.640 0.918 8.707 1.00 0.00 C ATOM 1042 OG SER A 71 13.662 1.885 8.866 1.00 0.00 O ATOM 0 H SER A 71 9.654 0.389 8.107 1.00 0.00 H new ATOM 0 HA SER A 71 11.213 2.213 9.661 1.00 0.00 H new ATOM 0 HB2 SER A 71 12.735 0.154 9.479 1.00 0.00 H new ATOM 0 HB3 SER A 71 12.756 0.416 7.746 1.00 0.00 H new ATOM 0 HG SER A 71 14.207 1.660 9.649 1.00 0.00 H new ATOM 1048 N ASP A 72 11.742 3.504 7.419 1.00 0.00 N ATOM 1049 CA ASP A 72 11.600 4.397 6.276 1.00 0.00 C ATOM 1050 C ASP A 72 12.943 5.017 5.901 1.00 0.00 C ATOM 1051 O ASP A 72 13.002 5.984 5.141 1.00 0.00 O ATOM 1052 CB ASP A 72 10.586 5.500 6.586 1.00 0.00 C ATOM 1053 CG ASP A 72 9.742 5.865 5.380 1.00 0.00 C ATOM 1054 OD1 ASP A 72 10.302 6.414 4.409 1.00 0.00 O ATOM 1055 OD2 ASP A 72 8.521 5.604 5.409 1.00 0.00 O ATOM 0 H ASP A 72 12.446 3.795 8.097 1.00 0.00 H new ATOM 0 HA ASP A 72 11.241 3.810 5.431 1.00 0.00 H new ATOM 0 HB2 ASP A 72 9.935 5.173 7.397 1.00 0.00 H new ATOM 0 HB3 ASP A 72 11.114 6.386 6.938 1.00 0.00 H new ATOM 1060 N GLY A 73 14.019 4.452 6.440 1.00 0.00 N ATOM 1061 CA GLY A 73 15.348 4.960 6.152 1.00 0.00 C ATOM 1062 C GLY A 73 16.420 3.897 6.295 1.00 0.00 C ATOM 1063 O GLY A 73 17.604 4.169 6.094 1.00 0.00 O ATOM 0 H GLY A 73 13.994 3.651 7.071 1.00 0.00 H new ATOM 0 HA2 GLY A 73 15.369 5.358 5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 73 15.570 5.788 6.825 1.00 0.00 H new ATOM 1067 N ALA A 74 16.003 2.684 6.643 1.00 0.00 N ATOM 1068 CA ALA A 74 16.935 1.575 6.812 1.00 0.00 C ATOM 1069 C ALA A 74 17.517 1.137 5.473 1.00 0.00 C ATOM 1070 O ALA A 74 16.851 1.214 4.441 1.00 0.00 O ATOM 1071 CB ALA A 74 16.246 0.404 7.492 1.00 0.00 C ATOM 0 H ALA A 74 15.026 2.444 6.813 1.00 0.00 H new ATOM 0 HA ALA A 74 17.755 1.918 7.443 1.00 0.00 H new ATOM 0 HB1 ALA A 74 16.954 -0.416 7.611 1.00 0.00 H new ATOM 0 HB2 ALA A 74 15.883 0.715 8.472 1.00 0.00 H new ATOM 0 HB3 ALA A 74 15.406 0.072 6.882 1.00 0.00 H new ATOM 1077 N VAL A 75 18.762 0.674 5.499 1.00 0.00 N ATOM 1078 CA VAL A 75 19.434 0.222 4.286 1.00 0.00 C ATOM 1079 C VAL A 75 20.106 -1.130 4.504 1.00 0.00 C ATOM 1080 O VAL A 75 21.166 -1.214 5.125 1.00 0.00 O ATOM 1081 CB VAL A 75 20.493 1.235 3.809 1.00 0.00 C ATOM 1082 CG1 VAL A 75 20.606 1.206 2.294 1.00 0.00 C ATOM 1083 CG2 VAL A 75 20.162 2.637 4.301 1.00 0.00 C ATOM 0 H VAL A 75 19.326 0.602 6.346 1.00 0.00 H new ATOM 0 HA VAL A 75 18.665 0.129 3.519 1.00 0.00 H new ATOM 0 HB VAL A 75 21.457 0.951 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 75 21.358 1.926 1.971 1.00 0.00 H new ATOM 0 HG12 VAL A 75 20.898 0.207 1.970 1.00 0.00 H new ATOM 0 HG13 VAL A 75 19.643 1.464 1.852 1.00 0.00 H new ATOM 0 HG21 VAL A 75 20.923 3.334 3.952 1.00 0.00 H new ATOM 0 HG22 VAL A 75 19.189 2.938 3.913 1.00 0.00 H new ATOM 0 HG23 VAL A 75 20.136 2.644 5.391 1.00 0.00 H new ATOM 1093 N SER A 76 19.482 -2.186 3.992 1.00 0.00 N ATOM 1094 CA SER A 76 20.020 -3.535 4.130 1.00 0.00 C ATOM 1095 C SER A 76 20.614 -4.023 2.813 1.00 0.00 C ATOM 1096 O SER A 76 20.362 -3.447 1.756 1.00 0.00 O ATOM 1097 CB SER A 76 18.925 -4.496 4.596 1.00 0.00 C ATOM 1098 OG SER A 76 17.685 -3.826 4.744 1.00 0.00 O ATOM 0 H SER A 76 18.603 -2.134 3.477 1.00 0.00 H new ATOM 0 HA SER A 76 20.814 -3.508 4.876 1.00 0.00 H new ATOM 0 HB2 SER A 76 18.819 -5.308 3.876 1.00 0.00 H new ATOM 0 HB3 SER A 76 19.213 -4.947 5.545 1.00 0.00 H new ATOM 0 HG SER A 76 17.002 -4.463 5.041 1.00 0.00 H new ATOM 1104 N GLY A 77 21.405 -5.090 2.886 1.00 0.00 N ATOM 1105 CA GLY A 77 22.022 -5.640 1.692 1.00 0.00 C ATOM 1106 C GLY A 77 22.257 -7.135 1.795 1.00 0.00 C ATOM 1107 O GLY A 77 22.526 -7.653 2.878 1.00 0.00 O ATOM 0 H GLY A 77 21.629 -5.583 3.750 1.00 0.00 H new ATOM 0 HA2 GLY A 77 21.386 -5.434 0.831 1.00 0.00 H new ATOM 0 HA3 GLY A 77 22.973 -5.138 1.514 1.00 0.00 H new ATOM 1111 N ASN A 78 22.154 -7.828 0.665 1.00 0.00 N ATOM 1112 CA ASN A 78 22.357 -9.272 0.633 1.00 0.00 C ATOM 1113 C ASN A 78 23.718 -9.619 0.037 1.00 0.00 C ATOM 1114 O ASN A 78 23.968 -10.766 -0.332 1.00 0.00 O ATOM 1115 CB ASN A 78 21.246 -9.947 -0.175 1.00 0.00 C ATOM 1116 CG ASN A 78 20.055 -10.326 0.683 1.00 0.00 C ATOM 1117 OD1 ASN A 78 19.258 -9.472 1.072 1.00 0.00 O ATOM 1118 ND2 ASN A 78 19.928 -11.613 0.983 1.00 0.00 N ATOM 0 H ASN A 78 21.931 -7.413 -0.240 1.00 0.00 H new ATOM 0 HA ASN A 78 22.326 -9.640 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 78 20.919 -9.276 -0.969 1.00 0.00 H new ATOM 0 HB3 ASN A 78 21.643 -10.841 -0.656 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.146 -11.928 1.557 1.00 0.00 H new ATOM 0 HD22 ASN A 78 20.612 -12.287 0.639 1.00 0.00 H new ATOM 1125 N LYS A 79 24.591 -8.618 -0.051 1.00 0.00 N ATOM 1126 CA LYS A 79 25.930 -8.810 -0.600 1.00 0.00 C ATOM 1127 C LYS A 79 25.866 -9.329 -2.034 1.00 0.00 C ATOM 1128 O LYS A 79 25.731 -10.532 -2.263 1.00 0.00 O ATOM 1129 CB LYS A 79 26.730 -9.779 0.273 1.00 0.00 C ATOM 1130 CG LYS A 79 28.189 -9.387 0.439 1.00 0.00 C ATOM 1131 CD LYS A 79 28.740 -9.843 1.781 1.00 0.00 C ATOM 1132 CE LYS A 79 29.500 -11.154 1.654 1.00 0.00 C ATOM 1133 NZ LYS A 79 30.972 -10.941 1.602 1.00 0.00 N ATOM 0 H LYS A 79 24.394 -7.664 0.252 1.00 0.00 H new ATOM 0 HA LYS A 79 26.432 -7.842 -0.608 1.00 0.00 H new ATOM 0 HB2 LYS A 79 26.264 -9.838 1.257 1.00 0.00 H new ATOM 0 HB3 LYS A 79 26.678 -10.776 -0.164 1.00 0.00 H new ATOM 0 HG2 LYS A 79 28.779 -9.826 -0.366 1.00 0.00 H new ATOM 0 HG3 LYS A 79 28.288 -8.305 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 79 29.401 -9.076 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 79 27.921 -9.963 2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 79 29.256 -11.798 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 79 29.177 -11.675 0.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 31.453 -11.859 1.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 31.208 -10.348 0.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 31.285 -10.467 2.473 1.00 0.00 H new ATOM 1147 N ARG A 80 25.964 -8.413 -2.993 1.00 0.00 N ATOM 1148 CA ARG A 80 25.918 -8.771 -4.408 1.00 0.00 C ATOM 1149 C ARG A 80 24.612 -9.481 -4.751 1.00 0.00 C ATOM 1150 O ARG A 80 24.514 -10.704 -4.653 1.00 0.00 O ATOM 1151 CB ARG A 80 27.109 -9.661 -4.772 1.00 0.00 C ATOM 1152 CG ARG A 80 27.798 -9.256 -6.065 1.00 0.00 C ATOM 1153 CD ARG A 80 28.252 -10.471 -6.858 1.00 0.00 C ATOM 1154 NE ARG A 80 29.156 -10.107 -7.947 1.00 0.00 N ATOM 1155 CZ ARG A 80 30.129 -10.896 -8.393 1.00 0.00 C ATOM 1156 NH1 ARG A 80 30.323 -12.089 -7.846 1.00 0.00 N ATOM 1157 NH2 ARG A 80 30.908 -10.492 -9.387 1.00 0.00 N ATOM 0 H ARG A 80 26.076 -7.415 -2.816 1.00 0.00 H new ATOM 0 HA ARG A 80 25.971 -7.851 -4.989 1.00 0.00 H new ATOM 0 HB2 ARG A 80 27.835 -9.633 -3.959 1.00 0.00 H new ATOM 0 HB3 ARG A 80 26.768 -10.693 -4.859 1.00 0.00 H new ATOM 0 HG2 ARG A 80 27.116 -8.659 -6.670 1.00 0.00 H new ATOM 0 HG3 ARG A 80 28.658 -8.626 -5.838 1.00 0.00 H new ATOM 0 HD2 ARG A 80 28.752 -11.173 -6.191 1.00 0.00 H new ATOM 0 HD3 ARG A 80 27.381 -10.984 -7.266 1.00 0.00 H new ATOM 0 HE ARG A 80 29.034 -9.196 -8.390 1.00 0.00 H new ATOM 0 HH11 ARG A 80 29.725 -12.403 -7.082 1.00 0.00 H new ATOM 0 HH12 ARG A 80 31.070 -12.692 -8.190 1.00 0.00 H new ATOM 0 HH21 ARG A 80 30.761 -9.576 -9.810 1.00 0.00 H new ATOM 0 HH22 ARG A 80 31.654 -11.098 -9.729 1.00 0.00 H new ATOM 1171 N CYS A 81 23.611 -8.703 -5.153 1.00 0.00 N ATOM 1172 CA CYS A 81 22.309 -9.255 -5.510 1.00 0.00 C ATOM 1173 C CYS A 81 22.053 -9.115 -7.009 1.00 0.00 C ATOM 1174 O CYS A 81 21.188 -8.348 -7.432 1.00 0.00 O ATOM 1175 CB CYS A 81 21.201 -8.554 -4.721 1.00 0.00 C ATOM 1176 SG CYS A 81 19.548 -9.285 -4.950 1.00 0.00 S ATOM 0 H CYS A 81 23.677 -7.689 -5.239 1.00 0.00 H new ATOM 0 HA CYS A 81 22.308 -10.315 -5.257 1.00 0.00 H new ATOM 0 HB2 CYS A 81 21.454 -8.578 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 81 21.167 -7.505 -5.017 1.00 0.00 H new ATOM 1181 N ILE A 82 22.812 -9.860 -7.805 1.00 0.00 N ATOM 1182 CA ILE A 82 22.670 -9.820 -9.255 1.00 0.00 C ATOM 1183 C ILE A 82 21.662 -10.860 -9.737 1.00 0.00 C ATOM 1184 O ILE A 82 21.029 -10.690 -10.779 1.00 0.00 O ATOM 1185 CB ILE A 82 24.022 -10.057 -9.959 1.00 0.00 C ATOM 1186 CG1 ILE A 82 23.888 -9.820 -11.465 1.00 0.00 C ATOM 1187 CG2 ILE A 82 24.529 -11.465 -9.681 1.00 0.00 C ATOM 1188 CD1 ILE A 82 24.096 -8.377 -11.871 1.00 0.00 C ATOM 0 H ILE A 82 23.533 -10.499 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 82 22.308 -8.824 -9.512 1.00 0.00 H new ATOM 0 HB ILE A 82 24.748 -9.348 -9.562 1.00 0.00 H new ATOM 0 HG12 ILE A 82 24.612 -10.444 -11.989 1.00 0.00 H new ATOM 0 HG13 ILE A 82 22.898 -10.141 -11.788 1.00 0.00 H new ATOM 0 HG21 ILE A 82 25.484 -11.614 -10.186 1.00 0.00 H new ATOM 0 HG22 ILE A 82 24.661 -11.599 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 82 23.806 -12.192 -10.051 1.00 0.00 H new ATOM 0 HD11 ILE A 82 23.986 -8.284 -12.951 1.00 0.00 H new ATOM 0 HD12 ILE A 82 23.355 -7.749 -11.375 1.00 0.00 H new ATOM 0 HD13 ILE A 82 25.096 -8.057 -11.579 1.00 0.00 H new ATOM 1200 N LEU A 83 21.518 -11.937 -8.970 1.00 0.00 N ATOM 1201 CA LEU A 83 20.586 -13.004 -9.318 1.00 0.00 C ATOM 1202 C LEU A 83 19.205 -12.733 -8.731 1.00 0.00 C ATOM 1203 O LEU A 83 18.944 -13.036 -7.567 1.00 0.00 O ATOM 1204 CB LEU A 83 21.112 -14.351 -8.816 1.00 0.00 C ATOM 1205 CG LEU A 83 21.463 -15.357 -9.914 1.00 0.00 C ATOM 1206 CD1 LEU A 83 22.959 -15.342 -10.191 1.00 0.00 C ATOM 1207 CD2 LEU A 83 21.003 -16.754 -9.525 1.00 0.00 C ATOM 0 H LEU A 83 22.034 -12.094 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 83 20.498 -13.037 -10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 83 22.000 -14.174 -8.209 1.00 0.00 H new ATOM 0 HB3 LEU A 83 20.362 -14.796 -8.162 1.00 0.00 H new ATOM 0 HG LEU A 83 20.942 -15.068 -10.827 1.00 0.00 H new ATOM 0 HD11 LEU A 83 23.191 -16.063 -10.974 1.00 0.00 H new ATOM 0 HD12 LEU A 83 23.259 -14.345 -10.515 1.00 0.00 H new ATOM 0 HD13 LEU A 83 23.500 -15.607 -9.282 1.00 0.00 H new ATOM 0 HD21 LEU A 83 21.261 -17.456 -10.318 1.00 0.00 H new ATOM 0 HD22 LEU A 83 21.495 -17.055 -8.600 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.923 -16.754 -9.378 1.00 0.00 H new ATOM 1219 N LEU A 84 18.324 -12.161 -9.546 1.00 0.00 N ATOM 1220 CA LEU A 84 16.968 -11.849 -9.109 1.00 0.00 C ATOM 1221 C LEU A 84 16.012 -12.989 -9.447 1.00 0.00 C ATOM 1222 O LEU A 84 15.344 -13.532 -8.566 1.00 0.00 O ATOM 1223 CB LEU A 84 16.484 -10.552 -9.763 1.00 0.00 C ATOM 1224 CG LEU A 84 17.554 -9.470 -9.924 1.00 0.00 C ATOM 1225 CD1 LEU A 84 17.375 -8.739 -11.247 1.00 0.00 C ATOM 1226 CD2 LEU A 84 17.504 -8.493 -8.761 1.00 0.00 C ATOM 0 H LEU A 84 18.525 -11.904 -10.512 1.00 0.00 H new ATOM 0 HA LEU A 84 16.983 -11.719 -8.027 1.00 0.00 H new ATOM 0 HB2 LEU A 84 16.077 -10.788 -10.746 1.00 0.00 H new ATOM 0 HB3 LEU A 84 15.665 -10.147 -9.168 1.00 0.00 H new ATOM 0 HG LEU A 84 18.533 -9.949 -9.925 1.00 0.00 H new ATOM 0 HD11 LEU A 84 18.144 -7.973 -11.346 1.00 0.00 H new ATOM 0 HD12 LEU A 84 17.462 -9.449 -12.070 1.00 0.00 H new ATOM 0 HD13 LEU A 84 16.391 -8.271 -11.274 1.00 0.00 H new ATOM 0 HD21 LEU A 84 18.272 -7.731 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 84 16.524 -8.018 -8.727 1.00 0.00 H new ATOM 0 HD23 LEU A 84 17.681 -9.028 -7.828 1.00 0.00 H new ATOM 1238 N GLU A 85 15.953 -13.344 -10.726 1.00 0.00 N ATOM 1239 CA GLU A 85 15.079 -14.420 -11.181 1.00 0.00 C ATOM 1240 C GLU A 85 15.809 -15.337 -12.156 1.00 0.00 C ATOM 1241 O GLU A 85 17.006 -15.175 -12.399 1.00 0.00 O ATOM 1242 CB GLU A 85 13.828 -13.842 -11.846 1.00 0.00 C ATOM 1243 CG GLU A 85 12.567 -14.001 -11.013 1.00 0.00 C ATOM 1244 CD GLU A 85 11.309 -14.026 -11.858 1.00 0.00 C ATOM 1245 OE1 GLU A 85 10.969 -15.107 -12.384 1.00 0.00 O ATOM 1246 OE2 GLU A 85 10.663 -12.966 -11.993 1.00 0.00 O ATOM 0 H GLU A 85 16.499 -12.903 -11.466 1.00 0.00 H new ATOM 0 HA GLU A 85 14.782 -15.006 -10.311 1.00 0.00 H new ATOM 0 HB2 GLU A 85 13.990 -12.783 -12.046 1.00 0.00 H new ATOM 0 HB3 GLU A 85 13.681 -14.330 -12.810 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.631 -14.924 -10.436 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.503 -13.181 -10.297 1.00 0.00 H new ATOM 1253 N ASP A 86 15.083 -16.302 -12.711 1.00 0.00 N ATOM 1254 CA ASP A 86 15.661 -17.248 -13.660 1.00 0.00 C ATOM 1255 C ASP A 86 14.598 -17.779 -14.615 1.00 0.00 C ATOM 1256 O ASP A 86 13.448 -17.294 -14.550 1.00 0.00 O ATOM 1257 CB ASP A 86 16.322 -18.409 -12.915 1.00 0.00 C ATOM 1258 CG ASP A 86 15.316 -19.279 -12.189 1.00 0.00 C ATOM 1259 OD1 ASP A 86 14.774 -18.828 -11.159 1.00 0.00 O ATOM 1260 OD2 ASP A 86 15.068 -20.413 -12.652 1.00 0.00 O ATOM 1261 OXT ASP A 86 14.923 -18.677 -15.420 1.00 0.00 O ATOM 0 H ASP A 86 14.092 -16.450 -12.520 1.00 0.00 H new ATOM 0 HA ASP A 86 16.417 -16.723 -14.244 1.00 0.00 H new ATOM 0 HB2 ASP A 86 16.882 -19.020 -13.623 1.00 0.00 H new ATOM 0 HB3 ASP A 86 17.041 -18.014 -12.197 1.00 0.00 H new TER 1266 ASP A 86