USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 THR OG1 : rot 180:sc= 0.0863 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.0966 K(o=0.35,f=-6.7!) USER MOD Set 1.3: A 36 ASN : amide:sc= 0.356 K(o=0.35,f=-0.34) USER MOD Set 2.1: A 26 SER OG : rot -86:sc= 0.248 USER MOD Set 2.2: A 49 THR OG1 : rot 180:sc= -1.16 USER MOD Set 3.1: A 11 TYR OH : rot 63:sc= -4.25! USER MOD Set 3.2: A 34 LYS NZ :NH3+ 180:sc=-0.00876 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -111:sc= 0.109 (180deg=-0.0973) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -160:sc= 0 (180deg=-0.00616) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -3.33! C(o=-3.3!,f=-5.4!) USER MOD Single : A 29 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00608) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.214 USER MOD Single : A 31 TYR OH : rot 180:sc= -0.0382 USER MOD Single : A 39 ASN : amide:sc= -3.23 K(o=-3.2,f=-8.8!) USER MOD Single : A 44 SER OG : rot -91:sc= 0.168 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot -32:sc= 0.245 USER MOD Single : A 51 SER OG : rot 180:sc= -0.301 USER MOD Single : A 52 HIS : no HD1:sc= -7.78! C(o=-7.8!,f=-15!) USER MOD Single : A 55 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0457) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.566 16.137 1.436 1.00 0.00 N ATOM 2 CA LEU A 1 5.381 16.334 2.668 1.00 0.00 C ATOM 3 C LEU A 1 4.765 15.538 3.821 1.00 0.00 C ATOM 4 O LEU A 1 3.610 15.165 3.782 1.00 0.00 O ATOM 5 CB LEU A 1 5.406 17.819 3.033 1.00 0.00 C ATOM 6 CG LEU A 1 6.377 18.556 2.109 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.265 20.062 2.348 1.00 0.00 C ATOM 8 CD2 LEU A 1 7.806 18.097 2.406 1.00 0.00 C ATOM 0 H1 LEU A 1 5.108 15.578 0.747 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.689 15.633 1.677 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.331 17.062 1.023 1.00 0.00 H new ATOM 0 HA LEU A 1 6.398 15.987 2.488 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.406 18.244 2.941 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.711 17.944 4.072 1.00 0.00 H new ATOM 0 HG LEU A 1 6.131 18.335 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.957 20.587 1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.246 20.389 2.139 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.512 20.285 3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.500 18.621 1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 1 8.051 18.320 3.444 1.00 0.00 H new ATOM 0 HD23 LEU A 1 7.886 17.023 2.237 1.00 0.00 H new ATOM 22 N ALA A 2 5.527 15.277 4.847 1.00 0.00 N ATOM 23 CA ALA A 2 4.983 14.508 6.000 1.00 0.00 C ATOM 24 C ALA A 2 4.307 13.236 5.485 1.00 0.00 C ATOM 25 O ALA A 2 3.313 12.787 6.022 1.00 0.00 O ATOM 26 CB ALA A 2 3.958 15.364 6.745 1.00 0.00 C ATOM 0 H ALA A 2 6.502 15.563 4.936 1.00 0.00 H new ATOM 0 HA ALA A 2 5.794 14.242 6.678 1.00 0.00 H new ATOM 0 HB1 ALA A 2 3.559 14.802 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 2 4.438 16.273 7.108 1.00 0.00 H new ATOM 0 HB3 ALA A 2 3.145 15.629 6.069 1.00 0.00 H new ATOM 32 N ALA A 3 4.839 12.651 4.447 1.00 0.00 N ATOM 33 CA ALA A 3 4.229 11.409 3.895 1.00 0.00 C ATOM 34 C ALA A 3 5.251 10.693 3.009 1.00 0.00 C ATOM 35 O ALA A 3 6.277 11.243 2.662 1.00 0.00 O ATOM 36 CB ALA A 3 2.998 11.774 3.064 1.00 0.00 C ATOM 0 H ALA A 3 5.671 12.980 3.957 1.00 0.00 H new ATOM 0 HA ALA A 3 3.933 10.752 4.712 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.550 10.866 2.659 1.00 0.00 H new ATOM 0 HB2 ALA A 3 2.272 12.287 3.695 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.293 12.429 2.245 1.00 0.00 H new ATOM 42 N VAL A 4 4.983 9.470 2.643 1.00 0.00 N ATOM 43 CA VAL A 4 5.948 8.726 1.780 1.00 0.00 C ATOM 44 C VAL A 4 5.193 7.683 0.951 1.00 0.00 C ATOM 45 O VAL A 4 5.366 6.493 1.124 1.00 0.00 O ATOM 46 CB VAL A 4 7.008 8.022 2.646 1.00 0.00 C ATOM 47 CG1 VAL A 4 8.377 8.650 2.384 1.00 0.00 C ATOM 48 CG2 VAL A 4 6.667 8.170 4.135 1.00 0.00 C ATOM 0 H VAL A 4 4.142 8.954 2.902 1.00 0.00 H new ATOM 0 HA VAL A 4 6.446 9.434 1.117 1.00 0.00 H new ATOM 0 HB VAL A 4 7.025 6.963 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.129 8.152 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.634 8.536 1.331 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.346 9.710 2.637 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.426 7.667 4.734 1.00 0.00 H new ATOM 0 HG22 VAL A 4 6.639 9.227 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.693 7.721 4.332 1.00 0.00 H new ATOM 58 N SER A 5 4.360 8.121 0.049 1.00 0.00 N ATOM 59 CA SER A 5 3.596 7.156 -0.793 1.00 0.00 C ATOM 60 C SER A 5 4.542 6.060 -1.287 1.00 0.00 C ATOM 61 O SER A 5 5.683 6.315 -1.618 1.00 0.00 O ATOM 62 CB SER A 5 2.995 7.885 -1.997 1.00 0.00 C ATOM 63 OG SER A 5 2.186 6.979 -2.737 1.00 0.00 O ATOM 0 H SER A 5 4.174 9.106 -0.142 1.00 0.00 H new ATOM 0 HA SER A 5 2.794 6.714 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.399 8.734 -1.663 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.789 8.283 -2.630 1.00 0.00 H new ATOM 0 HG SER A 5 1.798 7.442 -3.508 1.00 0.00 H new ATOM 69 N VAL A 6 4.076 4.844 -1.341 1.00 0.00 N ATOM 70 CA VAL A 6 4.948 3.733 -1.816 1.00 0.00 C ATOM 71 C VAL A 6 4.890 3.660 -3.343 1.00 0.00 C ATOM 72 O VAL A 6 3.995 4.198 -3.967 1.00 0.00 O ATOM 73 CB VAL A 6 4.458 2.411 -1.222 1.00 0.00 C ATOM 74 CG1 VAL A 6 5.445 1.294 -1.570 1.00 0.00 C ATOM 75 CG2 VAL A 6 4.358 2.544 0.299 1.00 0.00 C ATOM 0 H VAL A 6 3.129 4.571 -1.077 1.00 0.00 H new ATOM 0 HA VAL A 6 5.975 3.914 -1.499 1.00 0.00 H new ATOM 0 HB VAL A 6 3.478 2.170 -1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 6 5.094 0.353 -1.146 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.519 1.198 -2.653 1.00 0.00 H new ATOM 0 HG13 VAL A 6 6.426 1.534 -1.159 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.009 1.603 0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.339 2.786 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.655 3.338 0.549 1.00 0.00 H new ATOM 85 N ASP A 7 5.835 2.999 -3.949 1.00 0.00 N ATOM 86 CA ASP A 7 5.834 2.891 -5.433 1.00 0.00 C ATOM 87 C ASP A 7 4.966 1.706 -5.855 1.00 0.00 C ATOM 88 O ASP A 7 5.330 0.562 -5.672 1.00 0.00 O ATOM 89 CB ASP A 7 7.265 2.675 -5.931 1.00 0.00 C ATOM 90 CG ASP A 7 7.279 2.648 -7.460 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.602 3.472 -8.054 1.00 0.00 O ATOM 92 OD2 ASP A 7 7.966 1.804 -8.012 1.00 0.00 O ATOM 0 H ASP A 7 6.609 2.528 -3.480 1.00 0.00 H new ATOM 0 HA ASP A 7 5.434 3.809 -5.864 1.00 0.00 H new ATOM 0 HB2 ASP A 7 7.912 3.473 -5.566 1.00 0.00 H new ATOM 0 HB3 ASP A 7 7.660 1.739 -5.537 1.00 0.00 H new ATOM 97 N CYS A 8 3.825 1.968 -6.430 1.00 0.00 N ATOM 98 CA CYS A 8 2.950 0.851 -6.873 1.00 0.00 C ATOM 99 C CYS A 8 2.948 0.812 -8.402 1.00 0.00 C ATOM 100 O CYS A 8 1.931 0.588 -9.029 1.00 0.00 O ATOM 101 CB CYS A 8 1.519 1.068 -6.367 1.00 0.00 C ATOM 102 SG CYS A 8 1.533 1.414 -4.587 1.00 0.00 S ATOM 0 H CYS A 8 3.463 2.904 -6.611 1.00 0.00 H new ATOM 0 HA CYS A 8 3.325 -0.090 -6.470 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.057 1.897 -6.903 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.916 0.183 -6.569 1.00 0.00 H new ATOM 107 N SER A 9 4.084 1.043 -9.004 1.00 0.00 N ATOM 108 CA SER A 9 4.166 1.039 -10.497 1.00 0.00 C ATOM 109 C SER A 9 4.279 -0.395 -11.026 1.00 0.00 C ATOM 110 O SER A 9 4.606 -0.618 -12.174 1.00 0.00 O ATOM 111 CB SER A 9 5.394 1.838 -10.934 1.00 0.00 C ATOM 112 OG SER A 9 4.975 3.084 -11.478 1.00 0.00 O ATOM 0 H SER A 9 4.964 1.235 -8.525 1.00 0.00 H new ATOM 0 HA SER A 9 3.260 1.491 -10.902 1.00 0.00 H new ATOM 0 HB2 SER A 9 6.056 2.003 -10.084 1.00 0.00 H new ATOM 0 HB3 SER A 9 5.962 1.277 -11.676 1.00 0.00 H new ATOM 0 HG SER A 9 5.760 3.599 -11.758 1.00 0.00 H new ATOM 118 N GLU A 10 4.002 -1.365 -10.203 1.00 0.00 N ATOM 119 CA GLU A 10 4.080 -2.781 -10.659 1.00 0.00 C ATOM 120 C GLU A 10 2.940 -3.564 -10.010 1.00 0.00 C ATOM 121 O GLU A 10 3.105 -4.687 -9.577 1.00 0.00 O ATOM 122 CB GLU A 10 5.425 -3.381 -10.239 1.00 0.00 C ATOM 123 CG GLU A 10 6.555 -2.446 -10.669 1.00 0.00 C ATOM 124 CD GLU A 10 6.837 -1.439 -9.553 1.00 0.00 C ATOM 125 OE1 GLU A 10 6.704 -1.811 -8.399 1.00 0.00 O ATOM 126 OE2 GLU A 10 7.180 -0.312 -9.871 1.00 0.00 O ATOM 0 H GLU A 10 3.724 -1.239 -9.230 1.00 0.00 H new ATOM 0 HA GLU A 10 3.994 -2.831 -11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.449 -3.526 -9.159 1.00 0.00 H new ATOM 0 HB3 GLU A 10 5.556 -4.362 -10.696 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.454 -3.022 -10.889 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.280 -1.923 -11.585 1.00 0.00 H new ATOM 133 N TYR A 11 1.787 -2.963 -9.925 1.00 0.00 N ATOM 134 CA TYR A 11 0.628 -3.629 -9.295 1.00 0.00 C ATOM 135 C TYR A 11 -0.505 -3.743 -10.326 1.00 0.00 C ATOM 136 O TYR A 11 -0.459 -3.114 -11.365 1.00 0.00 O ATOM 137 CB TYR A 11 0.215 -2.775 -8.090 1.00 0.00 C ATOM 138 CG TYR A 11 1.205 -3.031 -6.977 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.051 -4.131 -6.120 1.00 0.00 C ATOM 140 CD2 TYR A 11 2.296 -2.173 -6.820 1.00 0.00 C ATOM 141 CE1 TYR A 11 1.992 -4.364 -5.105 1.00 0.00 C ATOM 142 CE2 TYR A 11 3.232 -2.402 -5.805 1.00 0.00 C ATOM 143 CZ TYR A 11 3.081 -3.498 -4.948 1.00 0.00 C ATOM 144 OH TYR A 11 4.007 -3.728 -3.952 1.00 0.00 O ATOM 0 H TYR A 11 1.602 -2.022 -10.273 1.00 0.00 H new ATOM 0 HA TYR A 11 0.868 -4.637 -8.958 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.206 -1.718 -8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.795 -3.031 -7.769 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.210 -4.797 -6.241 1.00 0.00 H new ATOM 0 HD2 TYR A 11 2.418 -1.330 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 11 1.876 -5.211 -4.445 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.071 -1.733 -5.683 1.00 0.00 H new ATOM 0 HH TYR A 11 4.454 -4.585 -4.113 1.00 0.00 H new ATOM 154 N PRO A 12 -1.469 -4.568 -10.021 1.00 0.00 N ATOM 155 CA PRO A 12 -1.512 -5.322 -8.763 1.00 0.00 C ATOM 156 C PRO A 12 -0.715 -6.624 -8.887 1.00 0.00 C ATOM 157 O PRO A 12 -0.335 -7.032 -9.965 1.00 0.00 O ATOM 158 CB PRO A 12 -3.008 -5.594 -8.574 1.00 0.00 C ATOM 159 CG PRO A 12 -3.658 -5.490 -9.981 1.00 0.00 C ATOM 160 CD PRO A 12 -2.611 -4.840 -10.909 1.00 0.00 C ATOM 0 HA PRO A 12 -1.071 -4.791 -7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.171 -6.582 -8.144 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.450 -4.871 -7.888 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -3.942 -6.476 -10.349 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.567 -4.890 -9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.332 -5.507 -11.725 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.992 -3.924 -11.361 1.00 0.00 H new ATOM 168 N LYS A 13 -0.449 -7.269 -7.782 1.00 0.00 N ATOM 169 CA LYS A 13 0.336 -8.536 -7.824 1.00 0.00 C ATOM 170 C LYS A 13 -0.534 -9.699 -7.333 1.00 0.00 C ATOM 171 O LYS A 13 -1.260 -9.559 -6.368 1.00 0.00 O ATOM 172 CB LYS A 13 1.550 -8.399 -6.904 1.00 0.00 C ATOM 173 CG LYS A 13 2.822 -8.249 -7.741 1.00 0.00 C ATOM 174 CD LYS A 13 4.023 -8.072 -6.811 1.00 0.00 C ATOM 175 CE LYS A 13 4.604 -9.443 -6.456 1.00 0.00 C ATOM 176 NZ LYS A 13 5.485 -9.910 -7.563 1.00 0.00 N ATOM 0 H LYS A 13 -0.742 -6.972 -6.851 1.00 0.00 H new ATOM 0 HA LYS A 13 0.659 -8.731 -8.847 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.428 -7.533 -6.253 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.629 -9.274 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.962 -9.128 -8.371 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.734 -7.390 -8.407 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.783 -7.458 -7.295 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.720 -7.549 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.171 -9.380 -5.527 1.00 0.00 H new ATOM 0 HE3 LYS A 13 3.799 -10.159 -6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.606 -10.941 -7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.052 -9.669 -8.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.413 -9.447 -7.487 1.00 0.00 H new ATOM 190 N PRO A 14 -0.434 -10.820 -8.009 1.00 0.00 N ATOM 191 CA PRO A 14 -1.200 -12.034 -7.659 1.00 0.00 C ATOM 192 C PRO A 14 -0.547 -12.766 -6.484 1.00 0.00 C ATOM 193 O PRO A 14 -0.870 -13.898 -6.183 1.00 0.00 O ATOM 194 CB PRO A 14 -1.132 -12.879 -8.932 1.00 0.00 C ATOM 195 CG PRO A 14 0.113 -12.390 -9.712 1.00 0.00 C ATOM 196 CD PRO A 14 0.435 -10.977 -9.197 1.00 0.00 C ATOM 0 HA PRO A 14 -2.222 -11.818 -7.348 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -1.048 -13.939 -8.691 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.037 -12.758 -9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 14 0.957 -13.061 -9.552 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -0.084 -12.375 -10.784 1.00 0.00 H new ATOM 0 HD2 PRO A 14 1.489 -10.878 -8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.221 -10.219 -9.951 1.00 0.00 H new ATOM 204 N ALA A 15 0.366 -12.121 -5.822 1.00 0.00 N ATOM 205 CA ALA A 15 1.053 -12.757 -4.663 1.00 0.00 C ATOM 206 C ALA A 15 1.689 -11.665 -3.804 1.00 0.00 C ATOM 207 O ALA A 15 2.699 -11.091 -4.163 1.00 0.00 O ATOM 208 CB ALA A 15 2.140 -13.708 -5.166 1.00 0.00 C ATOM 0 H ALA A 15 0.671 -11.171 -6.034 1.00 0.00 H new ATOM 0 HA ALA A 15 0.331 -13.321 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.640 -14.171 -4.316 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.688 -14.482 -5.787 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.868 -13.150 -5.755 1.00 0.00 H new ATOM 214 N CYS A 16 1.106 -11.369 -2.679 1.00 0.00 N ATOM 215 CA CYS A 16 1.674 -10.308 -1.803 1.00 0.00 C ATOM 216 C CYS A 16 2.727 -10.916 -0.878 1.00 0.00 C ATOM 217 O CYS A 16 2.516 -11.948 -0.275 1.00 0.00 O ATOM 218 CB CYS A 16 0.555 -9.696 -0.959 1.00 0.00 C ATOM 219 SG CYS A 16 -0.576 -8.777 -2.032 1.00 0.00 S ATOM 0 H CYS A 16 0.259 -11.816 -2.327 1.00 0.00 H new ATOM 0 HA CYS A 16 2.134 -9.537 -2.420 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.014 -10.480 -0.429 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.976 -9.033 -0.203 1.00 0.00 H new ATOM 224 N THR A 17 3.856 -10.277 -0.752 1.00 0.00 N ATOM 225 CA THR A 17 4.913 -10.817 0.145 1.00 0.00 C ATOM 226 C THR A 17 4.309 -11.030 1.533 1.00 0.00 C ATOM 227 O THR A 17 3.117 -10.898 1.722 1.00 0.00 O ATOM 228 CB THR A 17 6.069 -9.817 0.236 1.00 0.00 C ATOM 229 OG1 THR A 17 5.598 -8.520 -0.106 1.00 0.00 O ATOM 230 CG2 THR A 17 7.182 -10.230 -0.728 1.00 0.00 C ATOM 0 H THR A 17 4.092 -9.407 -1.230 1.00 0.00 H new ATOM 0 HA THR A 17 5.291 -11.761 -0.248 1.00 0.00 H new ATOM 0 HB THR A 17 6.461 -9.805 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.336 -7.878 -0.047 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.004 -9.517 -0.662 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.542 -11.224 -0.464 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.795 -10.243 -1.747 1.00 0.00 H new ATOM 238 N LEU A 18 5.111 -11.356 2.506 1.00 0.00 N ATOM 239 CA LEU A 18 4.554 -11.569 3.869 1.00 0.00 C ATOM 240 C LEU A 18 5.088 -10.493 4.816 1.00 0.00 C ATOM 241 O LEU A 18 4.576 -10.306 5.901 1.00 0.00 O ATOM 242 CB LEU A 18 4.960 -12.951 4.385 1.00 0.00 C ATOM 243 CG LEU A 18 6.483 -13.087 4.335 1.00 0.00 C ATOM 244 CD1 LEU A 18 7.019 -13.357 5.741 1.00 0.00 C ATOM 245 CD2 LEU A 18 6.857 -14.250 3.414 1.00 0.00 C ATOM 0 H LEU A 18 6.119 -11.483 2.418 1.00 0.00 H new ATOM 0 HA LEU A 18 3.467 -11.507 3.825 1.00 0.00 H new ATOM 0 HB2 LEU A 18 4.605 -13.088 5.407 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.495 -13.728 3.779 1.00 0.00 H new ATOM 0 HG LEU A 18 6.919 -12.164 3.953 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.104 -13.454 5.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.750 -12.530 6.398 1.00 0.00 H new ATOM 0 HD13 LEU A 18 6.585 -14.280 6.125 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.942 -14.350 3.376 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.421 -15.172 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.475 -14.057 2.411 1.00 0.00 H new ATOM 257 N GLU A 19 6.107 -9.779 4.416 1.00 0.00 N ATOM 258 CA GLU A 19 6.653 -8.715 5.302 1.00 0.00 C ATOM 259 C GLU A 19 5.486 -7.915 5.877 1.00 0.00 C ATOM 260 O GLU A 19 4.396 -7.932 5.341 1.00 0.00 O ATOM 261 CB GLU A 19 7.570 -7.793 4.495 1.00 0.00 C ATOM 262 CG GLU A 19 8.983 -8.380 4.470 1.00 0.00 C ATOM 263 CD GLU A 19 9.237 -9.043 3.115 1.00 0.00 C ATOM 264 OE1 GLU A 19 8.286 -9.211 2.371 1.00 0.00 O ATOM 265 OE2 GLU A 19 10.380 -9.373 2.845 1.00 0.00 O ATOM 0 H GLU A 19 6.581 -9.887 3.519 1.00 0.00 H new ATOM 0 HA GLU A 19 7.230 -9.161 6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.191 -7.683 3.479 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.585 -6.797 4.939 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.718 -7.594 4.646 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.099 -9.110 5.271 1.00 0.00 H new ATOM 272 N TYR A 20 5.686 -7.227 6.967 1.00 0.00 N ATOM 273 CA TYR A 20 4.556 -6.457 7.552 1.00 0.00 C ATOM 274 C TYR A 20 4.752 -4.960 7.328 1.00 0.00 C ATOM 275 O TYR A 20 5.444 -4.290 8.068 1.00 0.00 O ATOM 276 CB TYR A 20 4.453 -6.735 9.053 1.00 0.00 C ATOM 277 CG TYR A 20 3.110 -6.256 9.555 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.947 -6.543 8.828 1.00 0.00 C ATOM 279 CD2 TYR A 20 3.027 -5.522 10.745 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.703 -6.097 9.290 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.782 -5.075 11.206 1.00 0.00 C ATOM 282 CZ TYR A 20 0.621 -5.363 10.478 1.00 0.00 C ATOM 283 OH TYR A 20 -0.606 -4.925 10.932 1.00 0.00 O ATOM 0 H TYR A 20 6.571 -7.165 7.471 1.00 0.00 H new ATOM 0 HA TYR A 20 3.637 -6.772 7.058 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.568 -7.802 9.246 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.257 -6.226 9.585 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.010 -7.109 7.910 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.922 -5.301 11.307 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.193 -6.320 8.729 1.00 0.00 H new ATOM 0 HE2 TYR A 20 1.718 -4.508 12.123 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.487 -4.432 11.770 1.00 0.00 H new ATOM 293 N ARG A 21 4.122 -4.430 6.320 1.00 0.00 N ATOM 294 CA ARG A 21 4.229 -2.974 6.040 1.00 0.00 C ATOM 295 C ARG A 21 2.814 -2.398 6.018 1.00 0.00 C ATOM 296 O ARG A 21 2.240 -2.195 4.967 1.00 0.00 O ATOM 297 CB ARG A 21 4.901 -2.759 4.684 1.00 0.00 C ATOM 298 CG ARG A 21 6.110 -3.690 4.564 1.00 0.00 C ATOM 299 CD ARG A 21 7.371 -2.864 4.310 1.00 0.00 C ATOM 300 NE ARG A 21 7.791 -3.023 2.890 1.00 0.00 N ATOM 301 CZ ARG A 21 9.026 -2.787 2.542 1.00 0.00 C ATOM 302 NH1 ARG A 21 9.416 -1.564 2.307 1.00 0.00 N ATOM 303 NH2 ARG A 21 9.873 -3.774 2.431 1.00 0.00 N ATOM 0 H ARG A 21 3.531 -4.950 5.671 1.00 0.00 H new ATOM 0 HA ARG A 21 4.828 -2.479 6.805 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.193 -2.958 3.879 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.216 -1.720 4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.224 -4.274 5.477 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.957 -4.398 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.181 -1.813 4.529 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.171 -3.188 4.976 1.00 0.00 H new ATOM 0 HE ARG A 21 7.112 -3.317 2.188 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.755 -0.792 2.395 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.382 -1.380 2.035 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.569 -4.730 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.839 -3.589 2.159 1.00 0.00 H new ATOM 317 N PRO A 22 2.284 -2.171 7.187 1.00 0.00 N ATOM 318 CA PRO A 22 0.918 -1.652 7.340 1.00 0.00 C ATOM 319 C PRO A 22 0.833 -0.203 6.880 1.00 0.00 C ATOM 320 O PRO A 22 1.123 0.711 7.624 1.00 0.00 O ATOM 321 CB PRO A 22 0.637 -1.795 8.841 1.00 0.00 C ATOM 322 CG PRO A 22 2.017 -1.875 9.532 1.00 0.00 C ATOM 323 CD PRO A 22 3.003 -2.378 8.462 1.00 0.00 C ATOM 0 HA PRO A 22 0.187 -2.187 6.734 1.00 0.00 H new ATOM 0 HB2 PRO A 22 0.064 -0.945 9.213 1.00 0.00 H new ATOM 0 HB3 PRO A 22 0.048 -2.689 9.043 1.00 0.00 H new ATOM 0 HG2 PRO A 22 2.319 -0.899 9.912 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.987 -2.554 10.384 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.939 -1.820 8.488 1.00 0.00 H new ATOM 0 HD3 PRO A 22 3.254 -3.428 8.613 1.00 0.00 H new ATOM 331 N LEU A 23 0.427 0.022 5.656 1.00 0.00 N ATOM 332 CA LEU A 23 0.327 1.417 5.176 1.00 0.00 C ATOM 333 C LEU A 23 -1.119 1.865 5.333 1.00 0.00 C ATOM 334 O LEU A 23 -2.024 1.318 4.731 1.00 0.00 O ATOM 335 CB LEU A 23 0.740 1.487 3.704 1.00 0.00 C ATOM 336 CG LEU A 23 1.885 0.506 3.442 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.884 0.112 1.973 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.216 1.173 3.788 1.00 0.00 C ATOM 0 H LEU A 23 0.165 -0.697 4.981 1.00 0.00 H new ATOM 0 HA LEU A 23 0.987 2.067 5.751 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.110 1.247 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.052 2.501 3.452 1.00 0.00 H new ATOM 0 HG LEU A 23 1.753 -0.383 4.059 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.699 -0.587 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.934 -0.361 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.018 1.002 1.358 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.032 0.475 3.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 3.350 2.061 3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.217 1.460 4.840 1.00 0.00 H new ATOM 350 N CYS A 24 -1.343 2.851 6.149 1.00 0.00 N ATOM 351 CA CYS A 24 -2.731 3.335 6.366 1.00 0.00 C ATOM 352 C CYS A 24 -3.125 4.180 5.169 1.00 0.00 C ATOM 353 O CYS A 24 -2.632 5.271 4.981 1.00 0.00 O ATOM 354 CB CYS A 24 -2.775 4.192 7.640 1.00 0.00 C ATOM 355 SG CYS A 24 -4.217 5.294 7.628 1.00 0.00 S ATOM 0 H CYS A 24 -0.623 3.345 6.677 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.418 2.496 6.478 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -2.813 3.546 8.517 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.862 4.782 7.718 1.00 0.00 H new ATOM 360 N GLY A 25 -4.007 3.688 4.356 1.00 0.00 N ATOM 361 CA GLY A 25 -4.417 4.479 3.180 1.00 0.00 C ATOM 362 C GLY A 25 -4.817 5.876 3.644 1.00 0.00 C ATOM 363 O GLY A 25 -4.744 6.192 4.813 1.00 0.00 O ATOM 0 H GLY A 25 -4.458 2.778 4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.599 4.539 2.462 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.252 3.996 2.673 1.00 0.00 H new ATOM 367 N SER A 26 -5.260 6.712 2.753 1.00 0.00 N ATOM 368 CA SER A 26 -5.672 8.077 3.182 1.00 0.00 C ATOM 369 C SER A 26 -7.074 8.007 3.795 1.00 0.00 C ATOM 370 O SER A 26 -7.547 8.952 4.396 1.00 0.00 O ATOM 371 CB SER A 26 -5.693 9.015 1.974 1.00 0.00 C ATOM 372 OG SER A 26 -6.151 8.300 0.832 1.00 0.00 O ATOM 0 H SER A 26 -5.355 6.515 1.757 1.00 0.00 H new ATOM 0 HA SER A 26 -4.963 8.456 3.918 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.346 9.866 2.171 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.695 9.414 1.792 1.00 0.00 H new ATOM 0 HG SER A 26 -5.395 7.846 0.406 1.00 0.00 H new ATOM 378 N ASP A 27 -7.741 6.893 3.648 1.00 0.00 N ATOM 379 CA ASP A 27 -9.110 6.763 4.221 1.00 0.00 C ATOM 380 C ASP A 27 -9.044 5.986 5.539 1.00 0.00 C ATOM 381 O ASP A 27 -10.058 5.664 6.125 1.00 0.00 O ATOM 382 CB ASP A 27 -10.012 6.023 3.231 1.00 0.00 C ATOM 383 CG ASP A 27 -9.413 4.652 2.915 1.00 0.00 C ATOM 384 OD1 ASP A 27 -8.466 4.604 2.148 1.00 0.00 O ATOM 385 OD2 ASP A 27 -9.910 3.674 3.448 1.00 0.00 O ATOM 0 H ASP A 27 -7.396 6.069 3.156 1.00 0.00 H new ATOM 0 HA ASP A 27 -9.519 7.756 4.409 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.011 5.906 3.651 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.117 6.605 2.315 1.00 0.00 H new ATOM 390 N ASN A 28 -7.858 5.693 6.007 1.00 0.00 N ATOM 391 CA ASN A 28 -7.706 4.949 7.294 1.00 0.00 C ATOM 392 C ASN A 28 -7.860 3.441 7.065 1.00 0.00 C ATOM 393 O ASN A 28 -8.356 2.727 7.913 1.00 0.00 O ATOM 394 CB ASN A 28 -8.763 5.414 8.298 1.00 0.00 C ATOM 395 CG ASN A 28 -8.353 4.978 9.705 1.00 0.00 C ATOM 396 OD1 ASN A 28 -7.802 3.909 9.885 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.598 5.764 10.716 1.00 0.00 N ATOM 0 H ASN A 28 -6.981 5.939 5.549 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.711 5.152 7.689 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.867 6.498 8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.734 4.991 8.043 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.327 5.482 11.658 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -9.060 6.661 10.565 1.00 0.00 H new ATOM 404 N LYS A 29 -7.423 2.944 5.941 1.00 0.00 N ATOM 405 CA LYS A 29 -7.533 1.479 5.688 1.00 0.00 C ATOM 406 C LYS A 29 -6.141 0.855 5.803 1.00 0.00 C ATOM 407 O LYS A 29 -5.320 0.971 4.916 1.00 0.00 O ATOM 408 CB LYS A 29 -8.099 1.228 4.287 1.00 0.00 C ATOM 409 CG LYS A 29 -9.150 0.115 4.353 1.00 0.00 C ATOM 410 CD LYS A 29 -9.507 -0.338 2.935 1.00 0.00 C ATOM 411 CE LYS A 29 -10.798 -1.160 2.964 1.00 0.00 C ATOM 412 NZ LYS A 29 -11.972 -0.242 2.993 1.00 0.00 N ATOM 0 H LYS A 29 -6.996 3.486 5.189 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.204 1.030 6.420 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.545 2.142 3.894 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.297 0.946 3.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.767 -0.727 4.929 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -10.042 0.473 4.867 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.632 0.529 2.287 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.695 -0.934 2.518 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.850 -1.806 2.088 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.809 -1.809 3.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.773 -0.717 3.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.727 0.619 3.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.237 0.014 2.020 1.00 0.00 H new ATOM 426 N THR A 30 -5.865 0.210 6.902 1.00 0.00 N ATOM 427 CA THR A 30 -4.521 -0.403 7.092 1.00 0.00 C ATOM 428 C THR A 30 -4.319 -1.568 6.123 1.00 0.00 C ATOM 429 O THR A 30 -5.109 -2.489 6.062 1.00 0.00 O ATOM 430 CB THR A 30 -4.392 -0.916 8.527 1.00 0.00 C ATOM 431 OG1 THR A 30 -4.518 0.172 9.430 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.025 -1.579 8.707 1.00 0.00 C ATOM 0 H THR A 30 -6.514 0.081 7.678 1.00 0.00 H new ATOM 0 HA THR A 30 -3.763 0.355 6.897 1.00 0.00 H new ATOM 0 HB THR A 30 -5.177 -1.645 8.728 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.437 -0.156 10.350 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.930 -1.946 9.729 1.00 0.00 H new ATOM 0 HG22 THR A 30 -2.931 -2.413 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.239 -0.851 8.508 1.00 0.00 H new ATOM 440 N TYR A 31 -3.247 -1.537 5.383 1.00 0.00 N ATOM 441 CA TYR A 31 -2.953 -2.640 4.429 1.00 0.00 C ATOM 442 C TYR A 31 -1.763 -3.425 4.980 1.00 0.00 C ATOM 443 O TYR A 31 -0.683 -2.892 5.115 1.00 0.00 O ATOM 444 CB TYR A 31 -2.612 -2.041 3.068 1.00 0.00 C ATOM 445 CG TYR A 31 -3.861 -1.452 2.456 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.299 -0.181 2.849 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.581 -2.174 1.497 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.454 0.369 2.282 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.737 -1.624 0.930 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.174 -0.352 1.322 1.00 0.00 C ATOM 451 OH TYR A 31 -7.313 0.190 0.760 1.00 0.00 O ATOM 0 H TYR A 31 -2.556 -0.787 5.399 1.00 0.00 H new ATOM 0 HA TYR A 31 -3.811 -3.302 4.312 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -1.849 -1.271 3.178 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.199 -2.808 2.413 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -3.745 0.375 3.590 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.245 -3.155 1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -5.790 1.350 2.585 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.292 -2.181 0.190 1.00 0.00 H new ATOM 0 HH TYR A 31 -7.690 -0.441 0.112 1.00 0.00 H new ATOM 461 N GLY A 32 -1.974 -4.671 5.328 1.00 0.00 N ATOM 462 CA GLY A 32 -0.887 -5.511 5.921 1.00 0.00 C ATOM 463 C GLY A 32 0.488 -5.066 5.430 1.00 0.00 C ATOM 464 O GLY A 32 1.331 -4.669 6.210 1.00 0.00 O ATOM 0 H GLY A 32 -2.869 -5.149 5.224 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.926 -5.445 7.008 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.048 -6.557 5.659 1.00 0.00 H new ATOM 468 N ASN A 33 0.731 -5.120 4.154 1.00 0.00 N ATOM 469 CA ASN A 33 2.066 -4.683 3.657 1.00 0.00 C ATOM 470 C ASN A 33 1.917 -3.805 2.422 1.00 0.00 C ATOM 471 O ASN A 33 0.848 -3.332 2.094 1.00 0.00 O ATOM 472 CB ASN A 33 2.946 -5.888 3.323 1.00 0.00 C ATOM 473 CG ASN A 33 2.282 -6.760 2.262 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.252 -6.410 1.721 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.837 -7.895 1.944 1.00 0.00 N ATOM 0 H ASN A 33 0.076 -5.442 3.441 1.00 0.00 H new ATOM 0 HA ASN A 33 2.543 -4.108 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.918 -5.548 2.966 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.125 -6.475 4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.407 -8.493 1.239 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.702 -8.185 2.400 1.00 0.00 H new ATOM 482 N LYS A 34 3.005 -3.575 1.755 1.00 0.00 N ATOM 483 CA LYS A 34 3.002 -2.720 0.555 1.00 0.00 C ATOM 484 C LYS A 34 2.187 -3.349 -0.575 1.00 0.00 C ATOM 485 O LYS A 34 1.624 -2.656 -1.390 1.00 0.00 O ATOM 486 CB LYS A 34 4.437 -2.573 0.108 1.00 0.00 C ATOM 487 CG LYS A 34 5.010 -3.959 -0.161 1.00 0.00 C ATOM 488 CD LYS A 34 5.082 -4.193 -1.672 1.00 0.00 C ATOM 489 CE LYS A 34 6.226 -5.156 -1.996 1.00 0.00 C ATOM 490 NZ LYS A 34 7.023 -4.612 -3.133 1.00 0.00 N ATOM 0 H LYS A 34 3.918 -3.956 2.002 1.00 0.00 H new ATOM 0 HA LYS A 34 2.551 -1.757 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.491 -1.961 -0.792 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.021 -2.065 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 34 6.003 -4.046 0.280 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.386 -4.720 0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.138 -4.603 -2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.235 -3.246 -2.189 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.863 -5.289 -1.122 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.828 -6.138 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 7.801 -5.265 -3.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.411 -4.507 -3.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.413 -3.684 -2.871 1.00 0.00 H new ATOM 504 N CYS A 35 2.135 -4.649 -0.658 1.00 0.00 N ATOM 505 CA CYS A 35 1.362 -5.280 -1.757 1.00 0.00 C ATOM 506 C CYS A 35 -0.131 -5.076 -1.510 1.00 0.00 C ATOM 507 O CYS A 35 -0.917 -4.999 -2.432 1.00 0.00 O ATOM 508 CB CYS A 35 1.673 -6.775 -1.817 1.00 0.00 C ATOM 509 SG CYS A 35 0.636 -7.552 -3.081 1.00 0.00 S ATOM 0 H CYS A 35 2.592 -5.296 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 35 1.640 -4.819 -2.705 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.727 -6.930 -2.049 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.489 -7.236 -0.846 1.00 0.00 H new ATOM 514 N ASN A 36 -0.527 -4.981 -0.273 1.00 0.00 N ATOM 515 CA ASN A 36 -1.968 -4.771 0.025 1.00 0.00 C ATOM 516 C ASN A 36 -2.304 -3.296 -0.186 1.00 0.00 C ATOM 517 O ASN A 36 -3.358 -2.953 -0.680 1.00 0.00 O ATOM 518 CB ASN A 36 -2.259 -5.166 1.474 1.00 0.00 C ATOM 519 CG ASN A 36 -2.589 -6.657 1.537 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.736 -7.043 1.421 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.627 -7.521 1.715 1.00 0.00 N ATOM 0 H ASN A 36 0.083 -5.040 0.542 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.576 -5.387 -0.637 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.396 -4.946 2.103 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.093 -4.581 1.862 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.838 -8.518 1.757 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.664 -7.199 1.813 1.00 0.00 H new ATOM 528 N PHE A 37 -1.406 -2.419 0.178 1.00 0.00 N ATOM 529 CA PHE A 37 -1.673 -0.965 -0.009 1.00 0.00 C ATOM 530 C PHE A 37 -1.639 -0.621 -1.477 1.00 0.00 C ATOM 531 O PHE A 37 -2.411 0.168 -1.983 1.00 0.00 O ATOM 532 CB PHE A 37 -0.591 -0.133 0.668 1.00 0.00 C ATOM 533 CG PHE A 37 -0.995 1.298 0.535 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.262 1.722 0.919 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.108 2.176 -0.064 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.647 3.051 0.703 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.474 3.505 -0.279 1.00 0.00 C ATOM 538 CZ PHE A 37 -1.750 3.948 0.100 1.00 0.00 C ATOM 0 H PHE A 37 -0.503 -2.646 0.595 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.650 -0.749 0.423 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.492 -0.410 1.718 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.378 -0.305 0.200 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.948 1.028 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.870 1.831 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.630 3.385 0.999 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.223 4.191 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.041 4.974 -0.071 1.00 0.00 H new ATOM 548 N CYS A 38 -0.714 -1.201 -2.141 1.00 0.00 N ATOM 549 CA CYS A 38 -0.542 -0.928 -3.593 1.00 0.00 C ATOM 550 C CYS A 38 -1.679 -1.598 -4.356 1.00 0.00 C ATOM 551 O CYS A 38 -2.200 -1.060 -5.309 1.00 0.00 O ATOM 552 CB CYS A 38 0.796 -1.494 -4.074 1.00 0.00 C ATOM 553 SG CYS A 38 2.128 -0.315 -3.725 1.00 0.00 S ATOM 0 H CYS A 38 -0.050 -1.867 -1.747 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.556 0.148 -3.768 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.999 -2.443 -3.577 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.751 -1.698 -5.144 1.00 0.00 H new ATOM 558 N ASN A 39 -2.081 -2.766 -3.934 1.00 0.00 N ATOM 559 CA ASN A 39 -3.203 -3.454 -4.627 1.00 0.00 C ATOM 560 C ASN A 39 -4.438 -2.563 -4.528 1.00 0.00 C ATOM 561 O ASN A 39 -5.397 -2.725 -5.255 1.00 0.00 O ATOM 562 CB ASN A 39 -3.482 -4.804 -3.960 1.00 0.00 C ATOM 563 CG ASN A 39 -2.568 -5.873 -4.560 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.179 -5.784 -5.708 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.205 -6.890 -3.827 1.00 0.00 N ATOM 0 H ASN A 39 -1.682 -3.270 -3.142 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.947 -3.632 -5.671 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.316 -4.731 -2.885 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.526 -5.082 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.596 -7.609 -4.218 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.531 -6.966 -2.863 1.00 0.00 H new ATOM 572 N ALA A 40 -4.410 -1.603 -3.643 1.00 0.00 N ATOM 573 CA ALA A 40 -5.565 -0.681 -3.514 1.00 0.00 C ATOM 574 C ALA A 40 -5.339 0.489 -4.471 1.00 0.00 C ATOM 575 O ALA A 40 -6.234 0.921 -5.169 1.00 0.00 O ATOM 576 CB ALA A 40 -5.657 -0.167 -2.077 1.00 0.00 C ATOM 0 H ALA A 40 -3.635 -1.421 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.494 -1.196 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.507 0.510 -1.986 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.790 -1.009 -1.397 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.741 0.365 -1.821 1.00 0.00 H new ATOM 582 N VAL A 41 -4.130 0.983 -4.523 1.00 0.00 N ATOM 583 CA VAL A 41 -3.814 2.104 -5.451 1.00 0.00 C ATOM 584 C VAL A 41 -4.146 1.653 -6.871 1.00 0.00 C ATOM 585 O VAL A 41 -4.509 2.439 -7.725 1.00 0.00 O ATOM 586 CB VAL A 41 -2.318 2.424 -5.366 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.989 3.599 -6.288 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.947 2.779 -3.923 1.00 0.00 C ATOM 0 H VAL A 41 -3.346 0.655 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.391 2.990 -5.185 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.745 1.551 -5.679 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.924 3.824 -6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.245 3.338 -7.315 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.563 4.473 -5.982 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.882 3.006 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.521 3.649 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.173 1.935 -3.271 1.00 0.00 H new ATOM 598 N VAL A 42 -4.015 0.381 -7.118 1.00 0.00 N ATOM 599 CA VAL A 42 -4.308 -0.164 -8.471 1.00 0.00 C ATOM 600 C VAL A 42 -5.793 -0.514 -8.574 1.00 0.00 C ATOM 601 O VAL A 42 -6.389 -0.431 -9.630 1.00 0.00 O ATOM 602 CB VAL A 42 -3.462 -1.421 -8.697 1.00 0.00 C ATOM 603 CG1 VAL A 42 -1.986 -1.049 -8.624 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.764 -2.461 -7.618 1.00 0.00 C ATOM 0 H VAL A 42 -3.714 -0.312 -6.432 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.066 0.581 -9.229 1.00 0.00 H new ATOM 0 HB VAL A 42 -3.700 -1.838 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -1.378 -1.939 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.758 -0.311 -9.393 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.764 -0.630 -7.642 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.157 -3.350 -7.789 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.531 -2.046 -6.637 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -4.820 -2.730 -7.657 1.00 0.00 H new ATOM 614 N GLU A 43 -6.396 -0.901 -7.485 1.00 0.00 N ATOM 615 CA GLU A 43 -7.843 -1.251 -7.521 1.00 0.00 C ATOM 616 C GLU A 43 -8.677 -0.011 -7.192 1.00 0.00 C ATOM 617 O GLU A 43 -9.836 -0.109 -6.845 1.00 0.00 O ATOM 618 CB GLU A 43 -8.143 -2.348 -6.496 1.00 0.00 C ATOM 619 CG GLU A 43 -9.178 -3.308 -7.080 1.00 0.00 C ATOM 620 CD GLU A 43 -8.743 -4.753 -6.821 1.00 0.00 C ATOM 621 OE1 GLU A 43 -8.038 -4.974 -5.850 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.125 -5.613 -7.597 1.00 0.00 O ATOM 0 H GLU A 43 -5.950 -0.990 -6.572 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.096 -1.612 -8.518 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.230 -2.887 -6.244 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.518 -1.907 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.153 -3.125 -6.629 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.284 -3.136 -8.151 1.00 0.00 H new ATOM 629 N SER A 44 -8.098 1.153 -7.292 1.00 0.00 N ATOM 630 CA SER A 44 -8.870 2.389 -6.974 1.00 0.00 C ATOM 631 C SER A 44 -8.573 3.465 -8.018 1.00 0.00 C ATOM 632 O SER A 44 -8.761 4.642 -7.778 1.00 0.00 O ATOM 633 CB SER A 44 -8.466 2.901 -5.591 1.00 0.00 C ATOM 634 OG SER A 44 -7.257 3.641 -5.700 1.00 0.00 O ATOM 0 H SER A 44 -7.130 1.303 -7.578 1.00 0.00 H new ATOM 0 HA SER A 44 -9.936 2.160 -6.983 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.255 3.530 -5.178 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.333 2.064 -4.905 1.00 0.00 H new ATOM 0 HG SER A 44 -6.493 3.041 -5.569 1.00 0.00 H new ATOM 640 N ASN A 45 -8.103 3.077 -9.170 1.00 0.00 N ATOM 641 CA ASN A 45 -7.789 4.087 -10.217 1.00 0.00 C ATOM 642 C ASN A 45 -6.547 4.873 -9.792 1.00 0.00 C ATOM 643 O ASN A 45 -6.199 5.875 -10.384 1.00 0.00 O ATOM 644 CB ASN A 45 -8.970 5.049 -10.376 1.00 0.00 C ATOM 645 CG ASN A 45 -9.323 5.183 -11.855 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.110 4.418 -12.377 1.00 0.00 O ATOM 647 ND2 ASN A 45 -8.770 6.130 -12.559 1.00 0.00 N ATOM 0 H ASN A 45 -7.923 2.107 -9.431 1.00 0.00 H new ATOM 0 HA ASN A 45 -7.605 3.585 -11.167 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -9.831 4.680 -9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.716 6.025 -9.962 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -8.998 6.229 -13.548 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.110 6.772 -12.121 1.00 0.00 H new ATOM 654 N GLY A 46 -5.881 4.425 -8.764 1.00 0.00 N ATOM 655 CA GLY A 46 -4.664 5.135 -8.285 1.00 0.00 C ATOM 656 C GLY A 46 -5.068 6.439 -7.598 1.00 0.00 C ATOM 657 O GLY A 46 -4.233 7.239 -7.226 1.00 0.00 O ATOM 0 H GLY A 46 -6.130 3.591 -8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -4.111 4.502 -7.590 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.999 5.345 -9.123 1.00 0.00 H new ATOM 661 N THR A 47 -6.341 6.655 -7.412 1.00 0.00 N ATOM 662 CA THR A 47 -6.786 7.901 -6.732 1.00 0.00 C ATOM 663 C THR A 47 -6.617 7.730 -5.220 1.00 0.00 C ATOM 664 O THR A 47 -6.957 8.601 -4.445 1.00 0.00 O ATOM 665 CB THR A 47 -8.258 8.166 -7.057 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.603 9.480 -6.644 1.00 0.00 O ATOM 667 CG2 THR A 47 -9.136 7.150 -6.324 1.00 0.00 C ATOM 0 H THR A 47 -7.089 6.024 -7.701 1.00 0.00 H new ATOM 0 HA THR A 47 -6.187 8.743 -7.077 1.00 0.00 H new ATOM 0 HB THR A 47 -8.416 8.070 -8.131 1.00 0.00 H new ATOM 0 HG1 THR A 47 -8.080 9.722 -5.851 1.00 0.00 H new ATOM 0 HG21 THR A 47 -10.184 7.340 -6.556 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.870 6.142 -6.643 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.980 7.243 -5.249 1.00 0.00 H new ATOM 675 N LEU A 48 -6.094 6.608 -4.796 1.00 0.00 N ATOM 676 CA LEU A 48 -5.903 6.372 -3.344 1.00 0.00 C ATOM 677 C LEU A 48 -4.561 6.958 -2.906 1.00 0.00 C ATOM 678 O LEU A 48 -3.527 6.667 -3.472 1.00 0.00 O ATOM 679 CB LEU A 48 -5.923 4.859 -3.075 1.00 0.00 C ATOM 680 CG LEU A 48 -5.158 4.539 -1.786 1.00 0.00 C ATOM 681 CD1 LEU A 48 -5.848 5.215 -0.607 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.136 3.025 -1.570 1.00 0.00 C ATOM 0 H LEU A 48 -5.791 5.845 -5.401 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.704 6.853 -2.782 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.953 4.511 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.474 4.327 -3.914 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.135 4.907 -1.866 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.305 4.989 0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -5.862 6.294 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.871 4.847 -0.524 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.592 2.796 -0.654 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.158 2.654 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.642 2.544 -2.415 1.00 0.00 H new ATOM 694 N THR A 49 -4.570 7.761 -1.882 1.00 0.00 N ATOM 695 CA THR A 49 -3.298 8.342 -1.384 1.00 0.00 C ATOM 696 C THR A 49 -3.041 7.800 0.016 1.00 0.00 C ATOM 697 O THR A 49 -3.954 7.564 0.774 1.00 0.00 O ATOM 698 CB THR A 49 -3.400 9.868 -1.335 1.00 0.00 C ATOM 699 OG1 THR A 49 -4.162 10.254 -0.198 1.00 0.00 O ATOM 700 CG2 THR A 49 -4.079 10.380 -2.605 1.00 0.00 C ATOM 0 H THR A 49 -5.406 8.040 -1.368 1.00 0.00 H new ATOM 0 HA THR A 49 -2.480 8.071 -2.051 1.00 0.00 H new ATOM 0 HB THR A 49 -2.400 10.296 -1.266 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.227 11.231 -0.164 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.150 11.467 -2.567 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.493 10.085 -3.475 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.079 9.954 -2.680 1.00 0.00 H new ATOM 708 N LEU A 50 -1.813 7.582 0.362 1.00 0.00 N ATOM 709 CA LEU A 50 -1.511 7.038 1.697 1.00 0.00 C ATOM 710 C LEU A 50 -1.640 8.152 2.740 1.00 0.00 C ATOM 711 O LEU A 50 -1.743 9.315 2.406 1.00 0.00 O ATOM 712 CB LEU A 50 -0.094 6.467 1.631 1.00 0.00 C ATOM 713 CG LEU A 50 0.504 6.281 3.017 1.00 0.00 C ATOM 714 CD1 LEU A 50 -0.102 5.037 3.661 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.012 6.100 2.867 1.00 0.00 C ATOM 0 H LEU A 50 -1.001 7.759 -0.229 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.205 6.250 1.989 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.112 5.509 1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.540 7.135 1.048 1.00 0.00 H new ATOM 0 HG LEU A 50 0.293 7.147 3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.323 4.898 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.182 5.159 3.742 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.120 4.164 3.047 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.462 5.965 3.851 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.214 5.223 2.252 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.439 6.983 2.391 1.00 0.00 H new ATOM 727 N SER A 51 -1.644 7.807 3.997 1.00 0.00 N ATOM 728 CA SER A 51 -1.776 8.838 5.049 1.00 0.00 C ATOM 729 C SER A 51 -0.565 8.742 5.978 1.00 0.00 C ATOM 730 O SER A 51 -0.088 9.731 6.497 1.00 0.00 O ATOM 731 CB SER A 51 -3.061 8.604 5.857 1.00 0.00 C ATOM 732 OG SER A 51 -3.944 9.702 5.676 1.00 0.00 O ATOM 0 H SER A 51 -1.561 6.849 4.337 1.00 0.00 H new ATOM 0 HA SER A 51 -1.824 9.826 4.592 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.542 7.680 5.535 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.822 8.487 6.914 1.00 0.00 H new ATOM 0 HG SER A 51 -4.764 9.551 6.191 1.00 0.00 H new ATOM 738 N HIS A 52 -0.061 7.551 6.183 1.00 0.00 N ATOM 739 CA HIS A 52 1.125 7.383 7.074 1.00 0.00 C ATOM 740 C HIS A 52 1.462 5.892 7.196 1.00 0.00 C ATOM 741 O HIS A 52 0.585 5.057 7.300 1.00 0.00 O ATOM 742 CB HIS A 52 0.814 7.953 8.464 1.00 0.00 C ATOM 743 CG HIS A 52 -0.088 7.005 9.204 1.00 0.00 C ATOM 744 ND1 HIS A 52 0.309 6.359 10.366 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.359 6.561 8.947 1.00 0.00 C ATOM 746 CE1 HIS A 52 -0.706 5.568 10.756 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.749 5.656 9.928 1.00 0.00 N ATOM 0 H HIS A 52 -0.420 6.689 5.772 1.00 0.00 H new ATOM 0 HA HIS A 52 1.975 7.917 6.649 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.738 8.103 9.022 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.336 8.928 8.370 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.966 6.868 8.108 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -0.680 4.938 11.633 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -2.640 5.165 9.999 1.00 0.00 H new ATOM 755 N PHE A 53 2.721 5.551 7.200 1.00 0.00 N ATOM 756 CA PHE A 53 3.097 4.116 7.329 1.00 0.00 C ATOM 757 C PHE A 53 2.697 3.629 8.723 1.00 0.00 C ATOM 758 O PHE A 53 2.419 4.417 9.605 1.00 0.00 O ATOM 759 CB PHE A 53 4.606 3.961 7.134 1.00 0.00 C ATOM 760 CG PHE A 53 4.935 4.091 5.665 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.835 5.337 5.035 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.339 2.968 4.935 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.138 5.459 3.674 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.642 3.090 3.573 1.00 0.00 C ATOM 765 CZ PHE A 53 5.542 4.336 2.942 1.00 0.00 C ATOM 0 H PHE A 53 3.503 6.201 7.120 1.00 0.00 H new ATOM 0 HA PHE A 53 2.583 3.525 6.571 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.138 4.721 7.706 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.935 2.991 7.508 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.524 6.204 5.599 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.417 2.007 5.422 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.060 6.420 3.188 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.953 2.223 3.009 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.776 4.431 1.892 1.00 0.00 H new ATOM 775 N GLY A 54 2.641 2.342 8.928 1.00 0.00 N ATOM 776 CA GLY A 54 2.237 1.828 10.250 1.00 0.00 C ATOM 777 C GLY A 54 0.743 1.546 10.215 1.00 0.00 C ATOM 778 O GLY A 54 0.044 1.936 9.300 1.00 0.00 O ATOM 0 H GLY A 54 2.859 1.630 8.231 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.790 0.920 10.490 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.468 2.556 11.028 1.00 0.00 H new ATOM 782 N LYS A 55 0.247 0.887 11.206 1.00 0.00 N ATOM 783 CA LYS A 55 -1.218 0.589 11.240 1.00 0.00 C ATOM 784 C LYS A 55 -1.976 1.856 11.646 1.00 0.00 C ATOM 785 O LYS A 55 -1.686 2.470 12.653 1.00 0.00 O ATOM 786 CB LYS A 55 -1.545 -0.541 12.235 1.00 0.00 C ATOM 787 CG LYS A 55 -0.308 -0.939 13.044 1.00 0.00 C ATOM 788 CD LYS A 55 -0.659 -2.102 13.974 1.00 0.00 C ATOM 789 CE LYS A 55 0.622 -2.667 14.590 1.00 0.00 C ATOM 790 NZ LYS A 55 1.180 -1.684 15.562 1.00 0.00 N ATOM 0 H LYS A 55 0.782 0.536 12.000 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.523 0.261 10.246 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.336 -0.217 12.911 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.924 -1.408 11.694 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.501 -1.227 12.373 1.00 0.00 H new ATOM 0 HG3 LYS A 55 0.048 -0.089 13.626 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.334 -1.762 14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -1.182 -2.880 13.419 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.411 -3.612 15.092 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.352 -2.877 13.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.981 -2.112 16.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 1.505 -0.838 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.444 -1.415 16.245 1.00 0.00 H new ATOM 804 N CYS A 56 -2.943 2.254 10.863 1.00 0.00 N ATOM 805 CA CYS A 56 -3.721 3.482 11.194 1.00 0.00 C ATOM 806 C CYS A 56 -4.380 3.319 12.565 1.00 0.00 C ATOM 807 O CYS A 56 -3.959 2.443 13.303 1.00 0.00 O ATOM 808 CB CYS A 56 -4.799 3.700 10.130 1.00 0.00 C ATOM 809 SG CYS A 56 -4.758 5.420 9.571 1.00 0.00 S ATOM 810 OXT CYS A 56 -5.294 4.073 12.855 1.00 0.00 O ATOM 0 H CYS A 56 -3.228 1.780 10.006 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.051 4.342 11.217 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.634 3.029 9.287 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.781 3.463 10.539 1.00 0.00 H new TER 815 CYS A 56