USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 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 33 ASN : amide:sc= -8.14! C(o=-8.3!,f=-11!) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.168 X(o=-8.3,f=-8.6) USER MOD Set 2.1: A 11 TYR OH : rot 180:sc= -0.177 USER MOD Set 2.2: A 34 LYS NZ :NH3+ -115:sc= -0.0701 (180deg=-0.817) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -57:sc= 1.22 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0148 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -2.06! C(o=-2.1!,f=-0.78!) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc= 0.156 (180deg=-0.213) USER MOD Single : A 30 THR OG1 : rot 3:sc= 0.923 USER MOD Single : A 31 TYR OH : rot 119:sc= -7.41! USER MOD Single : A 39 ASN : amide:sc= -3.83! C(o=-3.8!,f=-10!) USER MOD Single : A 44 SER OG : rot 180:sc= -4.47! USER MOD Single : A 45 ASN : amide:sc= -6.68! C(o=-6.7!,f=-7.3!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -143:sc= -2.03! USER MOD Single : A 52 HIS : no HE2:sc= -11.7! C(o=-12!,f=-14!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 3.884 18.209 2.109 1.00 0.00 N ATOM 2 CA LEU A 1 4.214 16.856 1.578 1.00 0.00 C ATOM 3 C LEU A 1 5.521 16.368 2.205 1.00 0.00 C ATOM 4 O LEU A 1 6.600 16.733 1.780 1.00 0.00 O ATOM 5 CB LEU A 1 4.374 16.930 0.058 1.00 0.00 C ATOM 6 CG LEU A 1 3.194 16.222 -0.612 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.325 14.712 -0.407 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.884 16.709 0.013 1.00 0.00 C ATOM 0 H1 LEU A 1 2.995 18.542 1.683 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.776 18.160 3.142 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.650 18.871 1.873 1.00 0.00 H new ATOM 0 HA LEU A 1 3.411 16.162 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.419 17.970 -0.264 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.312 16.463 -0.243 1.00 0.00 H new ATOM 0 HG LEU A 1 3.193 16.447 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.485 14.206 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.258 14.364 -0.851 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.325 14.488 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.044 16.205 -0.464 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.884 16.484 1.080 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.790 17.785 -0.131 1.00 0.00 H new ATOM 22 N ALA A 2 5.435 15.546 3.214 1.00 0.00 N ATOM 23 CA ALA A 2 6.673 15.037 3.870 1.00 0.00 C ATOM 24 C ALA A 2 7.167 13.791 3.133 1.00 0.00 C ATOM 25 O ALA A 2 7.519 12.799 3.740 1.00 0.00 O ATOM 26 CB ALA A 2 6.373 14.680 5.326 1.00 0.00 C ATOM 0 H ALA A 2 4.561 15.204 3.613 1.00 0.00 H new ATOM 0 HA ALA A 2 7.442 15.809 3.837 1.00 0.00 H new ATOM 0 HB1 ALA A 2 7.279 14.308 5.804 1.00 0.00 H new ATOM 0 HB2 ALA A 2 6.023 15.567 5.853 1.00 0.00 H new ATOM 0 HB3 ALA A 2 5.603 13.910 5.360 1.00 0.00 H new ATOM 32 N ALA A 3 7.200 13.833 1.830 1.00 0.00 N ATOM 33 CA ALA A 3 7.674 12.649 1.060 1.00 0.00 C ATOM 34 C ALA A 3 6.973 11.389 1.573 1.00 0.00 C ATOM 35 O ALA A 3 7.605 10.397 1.880 1.00 0.00 O ATOM 36 CB ALA A 3 9.186 12.502 1.237 1.00 0.00 C ATOM 0 H ALA A 3 6.920 14.635 1.266 1.00 0.00 H new ATOM 0 HA ALA A 3 7.442 12.785 0.004 1.00 0.00 H new ATOM 0 HB1 ALA A 3 9.536 11.636 0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 3 9.684 13.399 0.869 1.00 0.00 H new ATOM 0 HB3 ALA A 3 9.417 12.366 2.293 1.00 0.00 H new ATOM 42 N VAL A 4 5.673 11.419 1.667 1.00 0.00 N ATOM 43 CA VAL A 4 4.934 10.223 2.160 1.00 0.00 C ATOM 44 C VAL A 4 4.131 9.608 1.011 1.00 0.00 C ATOM 45 O VAL A 4 2.925 9.731 0.948 1.00 0.00 O ATOM 46 CB VAL A 4 3.982 10.640 3.284 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.212 9.418 3.787 1.00 0.00 C ATOM 48 CG2 VAL A 4 4.790 11.240 4.438 1.00 0.00 C ATOM 0 H VAL A 4 5.090 12.220 1.424 1.00 0.00 H new ATOM 0 HA VAL A 4 5.644 9.488 2.539 1.00 0.00 H new ATOM 0 HB VAL A 4 3.278 11.380 2.904 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.535 9.718 4.587 1.00 0.00 H new ATOM 0 HG12 VAL A 4 2.637 8.988 2.967 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.915 8.676 4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 4 4.114 11.538 5.239 1.00 0.00 H new ATOM 0 HG22 VAL A 4 5.494 10.497 4.814 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.338 12.113 4.083 1.00 0.00 H new ATOM 58 N SER A 5 4.792 8.945 0.101 1.00 0.00 N ATOM 59 CA SER A 5 4.066 8.323 -1.042 1.00 0.00 C ATOM 60 C SER A 5 4.892 7.160 -1.597 1.00 0.00 C ATOM 61 O SER A 5 6.018 6.939 -1.196 1.00 0.00 O ATOM 62 CB SER A 5 3.852 9.363 -2.140 1.00 0.00 C ATOM 63 OG SER A 5 2.493 9.331 -2.560 1.00 0.00 O ATOM 0 H SER A 5 5.803 8.808 0.100 1.00 0.00 H new ATOM 0 HA SER A 5 3.099 7.954 -0.699 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.107 10.356 -1.771 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.510 9.158 -2.984 1.00 0.00 H new ATOM 0 HG SER A 5 2.352 9.999 -3.263 1.00 0.00 H new ATOM 69 N VAL A 6 4.341 6.414 -2.515 1.00 0.00 N ATOM 70 CA VAL A 6 5.096 5.267 -3.095 1.00 0.00 C ATOM 71 C VAL A 6 4.665 5.053 -4.550 1.00 0.00 C ATOM 72 O VAL A 6 3.840 5.772 -5.077 1.00 0.00 O ATOM 73 CB VAL A 6 4.808 4.006 -2.271 1.00 0.00 C ATOM 74 CG1 VAL A 6 3.442 3.430 -2.652 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.893 2.957 -2.527 1.00 0.00 C ATOM 0 H VAL A 6 3.401 6.549 -2.888 1.00 0.00 H new ATOM 0 HA VAL A 6 6.165 5.478 -3.070 1.00 0.00 H new ATOM 0 HB VAL A 6 4.803 4.271 -1.214 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.247 2.535 -2.061 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.667 4.171 -2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.438 3.174 -3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.682 2.064 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.907 2.699 -3.586 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.864 3.360 -2.239 1.00 0.00 H new ATOM 85 N ASP A 7 5.218 4.067 -5.196 1.00 0.00 N ATOM 86 CA ASP A 7 4.845 3.793 -6.615 1.00 0.00 C ATOM 87 C ASP A 7 4.145 2.436 -6.697 1.00 0.00 C ATOM 88 O ASP A 7 4.503 1.504 -6.004 1.00 0.00 O ATOM 89 CB ASP A 7 6.108 3.775 -7.480 1.00 0.00 C ATOM 90 CG ASP A 7 5.775 3.218 -8.864 1.00 0.00 C ATOM 91 OD1 ASP A 7 5.171 3.940 -9.642 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.127 2.079 -9.124 1.00 0.00 O ATOM 0 H ASP A 7 5.915 3.435 -4.803 1.00 0.00 H new ATOM 0 HA ASP A 7 4.173 4.572 -6.976 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.513 4.783 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.876 3.164 -7.006 1.00 0.00 H new ATOM 97 N CYS A 8 3.141 2.314 -7.525 1.00 0.00 N ATOM 98 CA CYS A 8 2.419 1.013 -7.626 1.00 0.00 C ATOM 99 C CYS A 8 1.900 0.803 -9.052 1.00 0.00 C ATOM 100 O CYS A 8 0.733 0.539 -9.263 1.00 0.00 O ATOM 101 CB CYS A 8 1.240 1.022 -6.654 1.00 0.00 C ATOM 102 SG CYS A 8 1.784 1.683 -5.060 1.00 0.00 S ATOM 0 H CYS A 8 2.792 3.055 -8.133 1.00 0.00 H new ATOM 0 HA CYS A 8 3.104 0.202 -7.378 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.428 1.629 -7.055 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.850 0.012 -6.528 1.00 0.00 H new ATOM 107 N SER A 9 2.755 0.912 -10.030 1.00 0.00 N ATOM 108 CA SER A 9 2.303 0.709 -11.435 1.00 0.00 C ATOM 109 C SER A 9 2.467 -0.765 -11.818 1.00 0.00 C ATOM 110 O SER A 9 2.629 -1.102 -12.974 1.00 0.00 O ATOM 111 CB SER A 9 3.145 1.576 -12.368 1.00 0.00 C ATOM 112 OG SER A 9 2.859 1.231 -13.717 1.00 0.00 O ATOM 0 H SER A 9 3.745 1.132 -9.918 1.00 0.00 H new ATOM 0 HA SER A 9 1.254 0.991 -11.524 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.929 2.631 -12.197 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.205 1.430 -12.160 1.00 0.00 H new ATOM 0 HG SER A 9 3.029 0.276 -13.853 1.00 0.00 H new ATOM 118 N GLU A 10 2.430 -1.646 -10.855 1.00 0.00 N ATOM 119 CA GLU A 10 2.591 -3.098 -11.163 1.00 0.00 C ATOM 120 C GLU A 10 1.664 -3.929 -10.270 1.00 0.00 C ATOM 121 O GLU A 10 1.922 -5.085 -10.000 1.00 0.00 O ATOM 122 CB GLU A 10 4.042 -3.513 -10.908 1.00 0.00 C ATOM 123 CG GLU A 10 4.986 -2.436 -11.450 1.00 0.00 C ATOM 124 CD GLU A 10 5.043 -1.265 -10.467 1.00 0.00 C ATOM 125 OE1 GLU A 10 4.943 -1.512 -9.276 1.00 0.00 O ATOM 126 OE2 GLU A 10 5.185 -0.143 -10.921 1.00 0.00 O ATOM 0 H GLU A 10 2.295 -1.424 -9.869 1.00 0.00 H new ATOM 0 HA GLU A 10 2.334 -3.272 -12.208 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.209 -3.653 -9.840 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.248 -4.468 -11.391 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.983 -2.851 -11.595 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.639 -2.090 -12.424 1.00 0.00 H new ATOM 133 N TYR A 11 0.593 -3.350 -9.803 1.00 0.00 N ATOM 134 CA TYR A 11 -0.341 -4.090 -8.929 1.00 0.00 C ATOM 135 C TYR A 11 -1.666 -4.305 -9.679 1.00 0.00 C ATOM 136 O TYR A 11 -1.932 -3.644 -10.663 1.00 0.00 O ATOM 137 CB TYR A 11 -0.541 -3.262 -7.657 1.00 0.00 C ATOM 138 CG TYR A 11 0.720 -3.355 -6.828 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.782 -2.477 -7.075 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.835 -4.325 -5.823 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.956 -2.565 -6.317 1.00 0.00 C ATOM 142 CE2 TYR A 11 2.012 -4.414 -5.066 1.00 0.00 C ATOM 143 CZ TYR A 11 3.070 -3.533 -5.313 1.00 0.00 C ATOM 144 OH TYR A 11 4.228 -3.622 -4.568 1.00 0.00 O ATOM 0 H TYR A 11 0.328 -2.384 -9.996 1.00 0.00 H new ATOM 0 HA TYR A 11 0.051 -5.071 -8.659 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.754 -2.223 -7.909 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.395 -3.634 -7.092 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.696 -1.731 -7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.017 -5.004 -5.632 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.774 -1.886 -6.507 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.102 -5.162 -4.293 1.00 0.00 H new ATOM 0 HH TYR A 11 4.141 -4.346 -3.913 1.00 0.00 H new ATOM 154 N PRO A 12 -2.438 -5.249 -9.208 1.00 0.00 N ATOM 155 CA PRO A 12 -2.094 -6.036 -8.014 1.00 0.00 C ATOM 156 C PRO A 12 -0.996 -7.065 -8.295 1.00 0.00 C ATOM 157 O PRO A 12 -0.358 -7.056 -9.329 1.00 0.00 O ATOM 158 CB PRO A 12 -3.403 -6.743 -7.656 1.00 0.00 C ATOM 159 CG PRO A 12 -4.235 -6.788 -8.961 1.00 0.00 C ATOM 160 CD PRO A 12 -3.719 -5.632 -9.836 1.00 0.00 C ATOM 0 HA PRO A 12 -1.703 -5.407 -7.214 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.213 -7.748 -7.280 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -3.936 -6.204 -6.872 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.113 -7.745 -9.468 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.298 -6.672 -8.750 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.578 -5.947 -10.870 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.421 -4.798 -9.850 1.00 0.00 H new ATOM 168 N LYS A 13 -0.780 -7.947 -7.357 1.00 0.00 N ATOM 169 CA LYS A 13 0.269 -8.991 -7.511 1.00 0.00 C ATOM 170 C LYS A 13 -0.333 -10.359 -7.165 1.00 0.00 C ATOM 171 O LYS A 13 -1.183 -10.456 -6.301 1.00 0.00 O ATOM 172 CB LYS A 13 1.413 -8.681 -6.547 1.00 0.00 C ATOM 173 CG LYS A 13 2.718 -8.507 -7.326 1.00 0.00 C ATOM 174 CD LYS A 13 3.906 -8.697 -6.382 1.00 0.00 C ATOM 175 CE LYS A 13 5.044 -7.762 -6.798 1.00 0.00 C ATOM 176 NZ LYS A 13 6.241 -8.570 -7.173 1.00 0.00 N ATOM 0 H LYS A 13 -1.295 -7.987 -6.478 1.00 0.00 H new ATOM 0 HA LYS A 13 0.641 -9.005 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.191 -7.774 -5.985 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.517 -9.488 -5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.767 -9.231 -8.140 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.754 -7.516 -7.778 1.00 0.00 H new ATOM 0 HD2 LYS A 13 3.606 -8.487 -5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.244 -9.733 -6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 13 4.731 -7.144 -7.639 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.291 -7.086 -5.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.014 -7.934 -7.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.543 -9.142 -6.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.001 -9.198 -7.967 1.00 0.00 H new ATOM 190 N PRO A 14 0.125 -11.380 -7.850 1.00 0.00 N ATOM 191 CA PRO A 14 -0.352 -12.764 -7.638 1.00 0.00 C ATOM 192 C PRO A 14 0.295 -13.384 -6.394 1.00 0.00 C ATOM 193 O PRO A 14 0.250 -14.580 -6.187 1.00 0.00 O ATOM 194 CB PRO A 14 0.096 -13.492 -8.907 1.00 0.00 C ATOM 195 CG PRO A 14 1.266 -12.668 -9.492 1.00 0.00 C ATOM 196 CD PRO A 14 1.147 -11.249 -8.911 1.00 0.00 C ATOM 0 HA PRO A 14 -1.428 -12.822 -7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.413 -14.510 -8.680 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.723 -13.566 -9.622 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.224 -13.115 -9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.216 -12.645 -10.581 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.098 -10.902 -8.508 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.842 -10.531 -9.672 1.00 0.00 H new ATOM 204 N ALA A 15 0.891 -12.576 -5.569 1.00 0.00 N ATOM 205 CA ALA A 15 1.544 -13.097 -4.333 1.00 0.00 C ATOM 206 C ALA A 15 2.299 -11.953 -3.659 1.00 0.00 C ATOM 207 O ALA A 15 2.935 -11.153 -4.316 1.00 0.00 O ATOM 208 CB ALA A 15 2.524 -14.214 -4.702 1.00 0.00 C ATOM 0 H ALA A 15 0.956 -11.566 -5.696 1.00 0.00 H new ATOM 0 HA ALA A 15 0.791 -13.496 -3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.000 -14.594 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.985 -15.023 -5.195 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.286 -13.822 -5.376 1.00 0.00 H new ATOM 214 N CYS A 16 2.235 -11.850 -2.357 1.00 0.00 N ATOM 215 CA CYS A 16 2.957 -10.730 -1.686 1.00 0.00 C ATOM 216 C CYS A 16 3.674 -11.202 -0.426 1.00 0.00 C ATOM 217 O CYS A 16 3.058 -11.616 0.535 1.00 0.00 O ATOM 218 CB CYS A 16 1.970 -9.635 -1.280 1.00 0.00 C ATOM 219 SG CYS A 16 0.920 -9.204 -2.688 1.00 0.00 S ATOM 0 H CYS A 16 1.724 -12.480 -1.739 1.00 0.00 H new ATOM 0 HA CYS A 16 3.688 -10.348 -2.398 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.355 -9.977 -0.447 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.512 -8.754 -0.935 1.00 0.00 H new ATOM 224 N THR A 17 4.970 -11.071 -0.398 1.00 0.00 N ATOM 225 CA THR A 17 5.715 -11.432 0.834 1.00 0.00 C ATOM 226 C THR A 17 5.678 -10.198 1.713 1.00 0.00 C ATOM 227 O THR A 17 4.620 -9.735 2.089 1.00 0.00 O ATOM 228 CB THR A 17 7.165 -11.806 0.514 1.00 0.00 C ATOM 229 OG1 THR A 17 7.708 -10.859 -0.396 1.00 0.00 O ATOM 230 CG2 THR A 17 7.213 -13.204 -0.108 1.00 0.00 C ATOM 0 H THR A 17 5.541 -10.731 -1.172 1.00 0.00 H new ATOM 0 HA THR A 17 5.267 -12.297 1.322 1.00 0.00 H new ATOM 0 HB THR A 17 7.751 -11.803 1.433 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.637 -11.097 -0.600 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.247 -13.466 -0.334 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.800 -13.929 0.594 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.627 -13.214 -1.027 1.00 0.00 H new ATOM 238 N LEU A 18 6.798 -9.640 2.039 1.00 0.00 N ATOM 239 CA LEU A 18 6.771 -8.442 2.869 1.00 0.00 C ATOM 240 C LEU A 18 6.029 -8.775 4.139 1.00 0.00 C ATOM 241 O LEU A 18 4.822 -8.757 4.192 1.00 0.00 O ATOM 242 CB LEU A 18 6.088 -7.305 2.114 1.00 0.00 C ATOM 243 CG LEU A 18 7.108 -6.643 1.184 1.00 0.00 C ATOM 244 CD1 LEU A 18 6.780 -6.989 -0.269 1.00 0.00 C ATOM 245 CD2 LEU A 18 7.054 -5.128 1.370 1.00 0.00 C ATOM 0 H LEU A 18 7.724 -9.967 1.763 1.00 0.00 H new ATOM 0 HA LEU A 18 7.782 -8.115 3.113 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.246 -7.688 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 18 5.688 -6.573 2.816 1.00 0.00 H new ATOM 0 HG LEU A 18 8.107 -7.006 1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.508 -6.516 -0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 18 6.817 -8.070 -0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.781 -6.627 -0.513 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.780 -4.654 0.709 1.00 0.00 H new ATOM 0 HD22 LEU A 18 6.054 -4.767 1.129 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.290 -4.880 2.405 1.00 0.00 H new ATOM 257 N GLU A 19 6.773 -9.132 5.134 1.00 0.00 N ATOM 258 CA GLU A 19 6.176 -9.506 6.457 1.00 0.00 C ATOM 259 C GLU A 19 5.064 -8.508 6.832 1.00 0.00 C ATOM 260 O GLU A 19 4.543 -7.796 6.005 1.00 0.00 O ATOM 261 CB GLU A 19 7.263 -9.479 7.535 1.00 0.00 C ATOM 262 CG GLU A 19 8.550 -10.092 6.981 1.00 0.00 C ATOM 263 CD GLU A 19 9.503 -8.977 6.545 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.597 -7.993 7.260 1.00 0.00 O ATOM 265 OE2 GLU A 19 10.121 -9.127 5.504 1.00 0.00 O ATOM 0 H GLU A 19 7.791 -9.185 5.097 1.00 0.00 H new ATOM 0 HA GLU A 19 5.753 -10.508 6.386 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.446 -8.453 7.856 1.00 0.00 H new ATOM 0 HB3 GLU A 19 6.932 -10.034 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.025 -10.714 7.740 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.321 -10.740 6.135 1.00 0.00 H new ATOM 272 N TYR A 20 4.671 -8.442 8.069 1.00 0.00 N ATOM 273 CA TYR A 20 3.571 -7.495 8.399 1.00 0.00 C ATOM 274 C TYR A 20 4.080 -6.055 8.496 1.00 0.00 C ATOM 275 O TYR A 20 4.341 -5.536 9.563 1.00 0.00 O ATOM 276 CB TYR A 20 2.887 -7.892 9.707 1.00 0.00 C ATOM 277 CG TYR A 20 1.506 -7.270 9.742 1.00 0.00 C ATOM 278 CD1 TYR A 20 0.682 -7.311 8.605 1.00 0.00 C ATOM 279 CD2 TYR A 20 1.051 -6.641 10.909 1.00 0.00 C ATOM 280 CE1 TYR A 20 -0.590 -6.725 8.637 1.00 0.00 C ATOM 281 CE2 TYR A 20 -0.221 -6.056 10.939 1.00 0.00 C ATOM 282 CZ TYR A 20 -1.040 -6.096 9.804 1.00 0.00 C ATOM 283 OH TYR A 20 -2.293 -5.518 9.836 1.00 0.00 O ATOM 0 H TYR A 20 5.048 -8.984 8.847 1.00 0.00 H new ATOM 0 HA TYR A 20 2.845 -7.547 7.588 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.815 -8.977 9.781 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.476 -7.553 10.559 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.030 -7.795 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 20 1.681 -6.607 11.785 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.223 -6.758 7.762 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.571 -5.573 11.839 1.00 0.00 H new ATOM 0 HH TYR A 20 -2.450 -5.126 10.720 1.00 0.00 H new ATOM 293 N ARG A 21 4.166 -5.398 7.372 1.00 0.00 N ATOM 294 CA ARG A 21 4.590 -3.970 7.337 1.00 0.00 C ATOM 295 C ARG A 21 3.391 -3.191 6.784 1.00 0.00 C ATOM 296 O ARG A 21 3.369 -2.836 5.627 1.00 0.00 O ATOM 297 CB ARG A 21 5.798 -3.810 6.410 1.00 0.00 C ATOM 298 CG ARG A 21 6.645 -5.086 6.454 1.00 0.00 C ATOM 299 CD ARG A 21 7.992 -4.830 5.777 1.00 0.00 C ATOM 300 NE ARG A 21 8.795 -3.891 6.611 1.00 0.00 N ATOM 301 CZ ARG A 21 9.668 -3.102 6.047 1.00 0.00 C ATOM 302 NH1 ARG A 21 10.152 -3.396 4.871 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.058 -2.018 6.659 1.00 0.00 N ATOM 0 H ARG A 21 3.956 -5.799 6.458 1.00 0.00 H new ATOM 0 HA ARG A 21 4.881 -3.608 8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.465 -3.616 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.396 -2.952 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.799 -5.397 7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.122 -5.899 5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.530 -5.769 5.646 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.838 -4.410 4.783 1.00 0.00 H new ATOM 0 HE ARG A 21 8.662 -3.865 7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.848 -4.243 4.392 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.834 -2.778 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 21 9.681 -1.787 7.578 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.740 -1.401 6.218 1.00 0.00 H new ATOM 317 N PRO A 22 2.406 -3.017 7.634 1.00 0.00 N ATOM 318 CA PRO A 22 1.113 -2.375 7.286 1.00 0.00 C ATOM 319 C PRO A 22 1.194 -0.915 6.892 1.00 0.00 C ATOM 320 O PRO A 22 1.653 -0.091 7.640 1.00 0.00 O ATOM 321 CB PRO A 22 0.277 -2.522 8.565 1.00 0.00 C ATOM 322 CG PRO A 22 1.274 -2.775 9.712 1.00 0.00 C ATOM 323 CD PRO A 22 2.515 -3.403 9.059 1.00 0.00 C ATOM 0 HA PRO A 22 0.696 -2.854 6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.309 -1.622 8.751 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.428 -3.348 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.528 -1.845 10.221 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.847 -3.442 10.461 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.435 -3.025 9.505 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.524 -4.486 9.179 1.00 0.00 H new ATOM 331 N LEU A 23 0.672 -0.584 5.737 1.00 0.00 N ATOM 332 CA LEU A 23 0.629 0.827 5.323 1.00 0.00 C ATOM 333 C LEU A 23 -0.825 1.275 5.558 1.00 0.00 C ATOM 334 O LEU A 23 -1.701 0.441 5.659 1.00 0.00 O ATOM 335 CB LEU A 23 1.011 0.905 3.843 1.00 0.00 C ATOM 336 CG LEU A 23 2.524 0.755 3.705 1.00 0.00 C ATOM 337 CD1 LEU A 23 2.898 -0.722 3.750 1.00 0.00 C ATOM 338 CD2 LEU A 23 2.966 1.333 2.366 1.00 0.00 C ATOM 0 H LEU A 23 0.275 -1.244 5.068 1.00 0.00 H new ATOM 0 HA LEU A 23 1.318 1.466 5.875 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.503 0.120 3.283 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.688 1.857 3.422 1.00 0.00 H new ATOM 0 HG LEU A 23 3.015 1.284 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.978 -0.827 3.651 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.577 -1.150 4.700 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.406 -1.247 2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.046 1.228 2.263 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.471 0.797 1.557 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.698 2.388 2.319 1.00 0.00 H new ATOM 350 N CYS A 24 -1.123 2.546 5.651 1.00 0.00 N ATOM 351 CA CYS A 24 -2.561 2.924 5.877 1.00 0.00 C ATOM 352 C CYS A 24 -2.969 4.081 4.970 1.00 0.00 C ATOM 353 O CYS A 24 -2.264 5.059 4.833 1.00 0.00 O ATOM 354 CB CYS A 24 -2.792 3.313 7.336 1.00 0.00 C ATOM 355 SG CYS A 24 -4.376 2.621 7.869 1.00 0.00 S ATOM 0 H CYS A 24 -0.462 3.320 5.584 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.174 2.055 5.637 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.983 2.935 7.962 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.797 4.398 7.443 1.00 0.00 H new ATOM 360 N GLY A 25 -4.104 3.959 4.327 1.00 0.00 N ATOM 361 CA GLY A 25 -4.565 5.031 3.392 1.00 0.00 C ATOM 362 C GLY A 25 -5.237 6.188 4.124 1.00 0.00 C ATOM 363 O GLY A 25 -5.553 6.110 5.293 1.00 0.00 O ATOM 0 H GLY A 25 -4.733 3.160 4.410 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.713 5.408 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.263 4.606 2.671 1.00 0.00 H new ATOM 367 N SER A 26 -5.429 7.276 3.425 1.00 0.00 N ATOM 368 CA SER A 26 -6.053 8.483 4.038 1.00 0.00 C ATOM 369 C SER A 26 -7.500 8.188 4.451 1.00 0.00 C ATOM 370 O SER A 26 -8.042 8.833 5.327 1.00 0.00 O ATOM 371 CB SER A 26 -6.036 9.624 3.017 1.00 0.00 C ATOM 372 OG SER A 26 -6.421 10.832 3.656 1.00 0.00 O ATOM 0 H SER A 26 -5.176 7.379 2.442 1.00 0.00 H new ATOM 0 HA SER A 26 -5.488 8.765 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.040 9.728 2.587 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.716 9.402 2.195 1.00 0.00 H new ATOM 0 HG SER A 26 -6.410 11.564 3.005 1.00 0.00 H new ATOM 378 N ASP A 27 -8.134 7.229 3.835 1.00 0.00 N ATOM 379 CA ASP A 27 -9.544 6.920 4.214 1.00 0.00 C ATOM 380 C ASP A 27 -9.551 5.983 5.425 1.00 0.00 C ATOM 381 O ASP A 27 -10.579 5.473 5.821 1.00 0.00 O ATOM 382 CB ASP A 27 -10.259 6.244 3.042 1.00 0.00 C ATOM 383 CG ASP A 27 -9.542 4.942 2.690 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.792 3.953 3.359 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.756 4.955 1.758 1.00 0.00 O ATOM 0 H ASP A 27 -7.743 6.650 3.092 1.00 0.00 H new ATOM 0 HA ASP A 27 -10.061 7.846 4.464 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -11.297 6.040 3.304 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -10.273 6.909 2.178 1.00 0.00 H new ATOM 390 N ASN A 28 -8.407 5.759 6.012 1.00 0.00 N ATOM 391 CA ASN A 28 -8.324 4.862 7.201 1.00 0.00 C ATOM 392 C ASN A 28 -8.441 3.400 6.759 1.00 0.00 C ATOM 393 O ASN A 28 -8.931 2.561 7.487 1.00 0.00 O ATOM 394 CB ASN A 28 -9.449 5.193 8.188 1.00 0.00 C ATOM 395 CG ASN A 28 -9.181 4.494 9.524 1.00 0.00 C ATOM 396 OD1 ASN A 28 -9.357 3.299 9.643 1.00 0.00 O ATOM 397 ND2 ASN A 28 -8.765 5.196 10.542 1.00 0.00 N ATOM 0 H ASN A 28 -7.518 6.163 5.716 1.00 0.00 H new ATOM 0 HA ASN A 28 -7.363 5.014 7.691 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.511 6.271 8.336 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.408 4.871 7.783 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.588 4.741 11.437 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -8.617 6.200 10.443 1.00 0.00 H new ATOM 404 N LYS A 29 -7.979 3.082 5.581 1.00 0.00 N ATOM 405 CA LYS A 29 -8.052 1.666 5.121 1.00 0.00 C ATOM 406 C LYS A 29 -6.674 1.026 5.289 1.00 0.00 C ATOM 407 O LYS A 29 -5.797 1.188 4.463 1.00 0.00 O ATOM 408 CB LYS A 29 -8.480 1.604 3.650 1.00 0.00 C ATOM 409 CG LYS A 29 -7.624 2.554 2.808 1.00 0.00 C ATOM 410 CD LYS A 29 -8.088 2.498 1.350 1.00 0.00 C ATOM 411 CE LYS A 29 -7.518 1.246 0.680 1.00 0.00 C ATOM 412 NZ LYS A 29 -8.368 0.876 -0.487 1.00 0.00 N ATOM 0 H LYS A 29 -7.557 3.736 4.921 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.790 1.127 5.715 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.378 0.585 3.277 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.532 1.874 3.558 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -7.708 3.572 3.189 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.573 2.273 2.878 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.177 2.484 1.304 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -7.758 3.390 0.818 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -6.494 1.429 0.354 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.483 0.423 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.487 -0.157 -0.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -9.299 1.330 -0.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.911 1.196 -1.365 1.00 0.00 H new ATOM 426 N THR A 30 -6.466 0.313 6.361 1.00 0.00 N ATOM 427 CA THR A 30 -5.135 -0.318 6.586 1.00 0.00 C ATOM 428 C THR A 30 -4.921 -1.465 5.604 1.00 0.00 C ATOM 429 O THR A 30 -5.654 -2.435 5.594 1.00 0.00 O ATOM 430 CB THR A 30 -5.050 -0.876 8.009 1.00 0.00 C ATOM 431 OG1 THR A 30 -5.044 0.194 8.942 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.763 -1.699 8.153 1.00 0.00 C ATOM 0 H THR A 30 -7.158 0.140 7.090 1.00 0.00 H new ATOM 0 HA THR A 30 -4.369 0.443 6.438 1.00 0.00 H new ATOM 0 HB THR A 30 -5.912 -1.513 8.204 1.00 0.00 H new ATOM 0 HG1 THR A 30 -5.147 1.044 8.465 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.698 -2.099 9.165 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.775 -2.522 7.438 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.900 -1.062 7.958 1.00 0.00 H new ATOM 440 N TYR A 31 -3.898 -1.380 4.806 1.00 0.00 N ATOM 441 CA TYR A 31 -3.607 -2.475 3.858 1.00 0.00 C ATOM 442 C TYR A 31 -2.516 -3.347 4.502 1.00 0.00 C ATOM 443 O TYR A 31 -1.548 -2.832 5.034 1.00 0.00 O ATOM 444 CB TYR A 31 -3.138 -1.903 2.512 1.00 0.00 C ATOM 445 CG TYR A 31 -3.071 -0.395 2.541 1.00 0.00 C ATOM 446 CD1 TYR A 31 -1.928 0.181 3.023 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.115 0.416 2.050 1.00 0.00 C ATOM 448 CE1 TYR A 31 -1.798 1.577 3.030 1.00 0.00 C ATOM 449 CE2 TYR A 31 -3.978 1.807 2.045 1.00 0.00 C ATOM 450 CZ TYR A 31 -2.814 2.383 2.542 1.00 0.00 C ATOM 451 OH TYR A 31 -2.631 3.742 2.498 1.00 0.00 O ATOM 0 H TYR A 31 -3.250 -0.593 4.773 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.498 -3.070 3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.156 -2.307 2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -3.819 -2.222 1.723 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -1.127 -0.439 3.398 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -5.021 -0.038 1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -0.897 2.028 3.419 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -4.771 2.430 1.658 1.00 0.00 H new ATOM 0 HH TYR A 31 -2.691 4.050 1.570 1.00 0.00 H new ATOM 461 N GLY A 32 -2.704 -4.654 4.507 1.00 0.00 N ATOM 462 CA GLY A 32 -1.733 -5.590 5.167 1.00 0.00 C ATOM 463 C GLY A 32 -0.338 -4.981 5.236 1.00 0.00 C ATOM 464 O GLY A 32 0.265 -4.910 6.288 1.00 0.00 O ATOM 0 H GLY A 32 -3.504 -5.115 4.073 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.079 -5.827 6.173 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.696 -6.528 4.614 1.00 0.00 H new ATOM 468 N ASN A 33 0.176 -4.537 4.131 1.00 0.00 N ATOM 469 CA ASN A 33 1.519 -3.918 4.130 1.00 0.00 C ATOM 470 C ASN A 33 1.751 -3.214 2.803 1.00 0.00 C ATOM 471 O ASN A 33 0.883 -2.537 2.293 1.00 0.00 O ATOM 472 CB ASN A 33 2.592 -4.985 4.343 1.00 0.00 C ATOM 473 CG ASN A 33 2.646 -5.914 3.134 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.855 -5.797 2.223 1.00 0.00 O ATOM 475 ND2 ASN A 33 3.570 -6.825 3.087 1.00 0.00 N ATOM 0 H ASN A 33 -0.282 -4.577 3.221 1.00 0.00 H new ATOM 0 HA ASN A 33 1.578 -3.194 4.942 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.563 -4.512 4.493 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.374 -5.558 5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.633 -7.447 2.281 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.233 -6.919 3.856 1.00 0.00 H new ATOM 482 N LYS A 34 2.922 -3.336 2.253 1.00 0.00 N ATOM 483 CA LYS A 34 3.211 -2.645 0.980 1.00 0.00 C ATOM 484 C LYS A 34 2.396 -3.268 -0.166 1.00 0.00 C ATOM 485 O LYS A 34 1.581 -2.614 -0.774 1.00 0.00 O ATOM 486 CB LYS A 34 4.727 -2.725 0.724 1.00 0.00 C ATOM 487 CG LYS A 34 5.048 -3.420 -0.606 1.00 0.00 C ATOM 488 CD LYS A 34 6.490 -3.112 -1.000 1.00 0.00 C ATOM 489 CE LYS A 34 6.554 -2.792 -2.495 1.00 0.00 C ATOM 490 NZ LYS A 34 5.788 -1.544 -2.770 1.00 0.00 N ATOM 0 H LYS A 34 3.691 -3.887 2.634 1.00 0.00 H new ATOM 0 HA LYS A 34 2.917 -1.597 1.036 1.00 0.00 H new ATOM 0 HB2 LYS A 34 5.148 -1.719 0.719 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.205 -3.266 1.541 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.907 -4.497 -0.510 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.365 -3.077 -1.383 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.864 -2.268 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 34 7.130 -3.964 -0.772 1.00 0.00 H new ATOM 0 HE2 LYS A 34 7.591 -2.671 -2.808 1.00 0.00 H new ATOM 0 HE3 LYS A 34 6.141 -3.619 -3.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.968 -1.765 -3.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.459 -1.134 -1.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 6.401 -0.861 -3.259 1.00 0.00 H new ATOM 504 N CYS A 35 2.615 -4.513 -0.483 1.00 0.00 N ATOM 505 CA CYS A 35 1.856 -5.132 -1.602 1.00 0.00 C ATOM 506 C CYS A 35 0.358 -4.883 -1.436 1.00 0.00 C ATOM 507 O CYS A 35 -0.332 -4.561 -2.384 1.00 0.00 O ATOM 508 CB CYS A 35 2.124 -6.633 -1.633 1.00 0.00 C ATOM 509 SG CYS A 35 1.491 -7.329 -3.181 1.00 0.00 S ATOM 0 H CYS A 35 3.284 -5.126 -0.017 1.00 0.00 H new ATOM 0 HA CYS A 35 2.184 -4.681 -2.539 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.194 -6.824 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.644 -7.116 -0.782 1.00 0.00 H new ATOM 514 N ASN A 36 -0.159 -5.025 -0.249 1.00 0.00 N ATOM 515 CA ASN A 36 -1.615 -4.789 -0.055 1.00 0.00 C ATOM 516 C ASN A 36 -1.899 -3.309 -0.238 1.00 0.00 C ATOM 517 O ASN A 36 -2.953 -2.922 -0.704 1.00 0.00 O ATOM 518 CB ASN A 36 -2.045 -5.199 1.350 1.00 0.00 C ATOM 519 CG ASN A 36 -1.889 -6.718 1.507 1.00 0.00 C ATOM 520 OD1 ASN A 36 -2.868 -7.440 1.502 1.00 0.00 O ATOM 521 ND2 ASN A 36 -0.701 -7.241 1.644 1.00 0.00 N ATOM 0 H ASN A 36 0.358 -5.292 0.589 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.168 -5.383 -0.782 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.439 -4.681 2.093 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.081 -4.909 1.525 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -0.597 -8.251 1.746 1.00 0.00 H new ATOM 0 HD22 ASN A 36 0.123 -6.640 1.649 1.00 0.00 H new ATOM 528 N PHE A 37 -0.973 -2.470 0.130 1.00 0.00 N ATOM 529 CA PHE A 37 -1.220 -1.022 -0.029 1.00 0.00 C ATOM 530 C PHE A 37 -1.262 -0.682 -1.504 1.00 0.00 C ATOM 531 O PHE A 37 -2.281 -0.322 -2.054 1.00 0.00 O ATOM 532 CB PHE A 37 -0.120 -0.187 0.641 1.00 0.00 C ATOM 533 CG PHE A 37 -0.364 1.252 0.296 1.00 0.00 C ATOM 534 CD1 PHE A 37 -1.669 1.712 0.268 1.00 0.00 C ATOM 535 CD2 PHE A 37 0.689 2.111 0.007 1.00 0.00 C ATOM 536 CE1 PHE A 37 -1.952 3.040 -0.040 1.00 0.00 C ATOM 537 CE2 PHE A 37 0.424 3.449 -0.314 1.00 0.00 C ATOM 538 CZ PHE A 37 -0.903 3.918 -0.338 1.00 0.00 C ATOM 0 H PHE A 37 -0.069 -2.725 0.528 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.171 -0.787 0.449 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.137 -0.329 1.722 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.864 -0.502 0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.479 1.032 0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.706 1.749 0.030 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -2.974 3.390 -0.049 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.238 4.121 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.111 4.949 -0.585 1.00 0.00 H new ATOM 548 N CYS A 38 -0.143 -0.795 -2.131 1.00 0.00 N ATOM 549 CA CYS A 38 -0.046 -0.495 -3.580 1.00 0.00 C ATOM 550 C CYS A 38 -1.276 -1.053 -4.272 1.00 0.00 C ATOM 551 O CYS A 38 -1.787 -0.463 -5.191 1.00 0.00 O ATOM 552 CB CYS A 38 1.217 -1.132 -4.150 1.00 0.00 C ATOM 553 SG CYS A 38 2.559 0.079 -4.111 1.00 0.00 S ATOM 0 H CYS A 38 0.732 -1.089 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 38 0.006 0.582 -3.741 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.489 -2.013 -3.569 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.041 -1.466 -5.173 1.00 0.00 H new ATOM 558 N ASN A 39 -1.786 -2.159 -3.809 1.00 0.00 N ATOM 559 CA ASN A 39 -3.022 -2.692 -4.428 1.00 0.00 C ATOM 560 C ASN A 39 -4.085 -1.617 -4.246 1.00 0.00 C ATOM 561 O ASN A 39 -4.644 -1.109 -5.191 1.00 0.00 O ATOM 562 CB ASN A 39 -3.467 -3.966 -3.702 1.00 0.00 C ATOM 563 CG ASN A 39 -2.589 -5.142 -4.126 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.013 -5.131 -5.191 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.466 -6.168 -3.328 1.00 0.00 N ATOM 0 H ASN A 39 -1.404 -2.708 -3.039 1.00 0.00 H new ATOM 0 HA ASN A 39 -2.862 -2.935 -5.478 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -3.401 -3.822 -2.624 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.511 -4.180 -3.931 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -1.885 -6.960 -3.602 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -2.951 -6.177 -2.431 1.00 0.00 H new ATOM 572 N ALA A 40 -4.328 -1.253 -3.014 1.00 0.00 N ATOM 573 CA ALA A 40 -5.323 -0.188 -2.701 1.00 0.00 C ATOM 574 C ALA A 40 -5.077 1.023 -3.609 1.00 0.00 C ATOM 575 O ALA A 40 -5.955 1.831 -3.838 1.00 0.00 O ATOM 576 CB ALA A 40 -5.144 0.236 -1.234 1.00 0.00 C ATOM 0 H ALA A 40 -3.869 -1.657 -2.198 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.333 -0.564 -2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.866 1.015 -0.990 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -5.305 -0.624 -0.584 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.134 0.618 -1.086 1.00 0.00 H new ATOM 582 N VAL A 41 -3.879 1.160 -4.114 1.00 0.00 N ATOM 583 CA VAL A 41 -3.555 2.321 -4.995 1.00 0.00 C ATOM 584 C VAL A 41 -3.924 2.004 -6.450 1.00 0.00 C ATOM 585 O VAL A 41 -4.401 2.853 -7.177 1.00 0.00 O ATOM 586 CB VAL A 41 -2.049 2.601 -4.905 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.614 3.516 -6.053 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.730 3.274 -3.568 1.00 0.00 C ATOM 0 H VAL A 41 -3.107 0.514 -3.953 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.124 3.192 -4.670 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.509 1.657 -4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.544 3.708 -5.979 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.831 3.033 -7.006 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.157 4.459 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.660 3.472 -3.506 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.278 4.214 -3.494 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.025 2.617 -2.750 1.00 0.00 H new ATOM 598 N VAL A 42 -3.687 0.798 -6.887 1.00 0.00 N ATOM 599 CA VAL A 42 -3.997 0.434 -8.291 1.00 0.00 C ATOM 600 C VAL A 42 -5.458 -0.020 -8.407 1.00 0.00 C ATOM 601 O VAL A 42 -5.960 -0.254 -9.489 1.00 0.00 O ATOM 602 CB VAL A 42 -3.056 -0.696 -8.720 1.00 0.00 C ATOM 603 CG1 VAL A 42 -2.996 -1.768 -7.631 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.563 -1.317 -10.014 1.00 0.00 C ATOM 0 H VAL A 42 -3.289 0.046 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.856 1.299 -8.939 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.057 -0.288 -8.876 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.325 -2.568 -7.944 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.627 -1.326 -6.705 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.993 -2.175 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.893 -2.121 -10.319 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.564 -1.719 -9.857 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.596 -0.557 -10.794 1.00 0.00 H new ATOM 614 N GLU A 43 -6.145 -0.129 -7.305 1.00 0.00 N ATOM 615 CA GLU A 43 -7.563 -0.542 -7.338 1.00 0.00 C ATOM 616 C GLU A 43 -8.426 0.714 -7.412 1.00 0.00 C ATOM 617 O GLU A 43 -9.584 0.672 -7.777 1.00 0.00 O ATOM 618 CB GLU A 43 -7.886 -1.307 -6.054 1.00 0.00 C ATOM 619 CG GLU A 43 -7.299 -0.595 -4.853 1.00 0.00 C ATOM 620 CD GLU A 43 -8.407 -0.356 -3.824 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.148 -1.285 -3.552 1.00 0.00 O ATOM 622 OE2 GLU A 43 -8.495 0.756 -3.326 1.00 0.00 O ATOM 0 H GLU A 43 -5.773 0.054 -6.373 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.757 -1.180 -8.200 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.966 -1.397 -5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.486 -2.319 -6.116 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.500 -1.193 -4.414 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.857 0.354 -5.157 1.00 0.00 H new ATOM 629 N SER A 44 -7.862 1.833 -7.049 1.00 0.00 N ATOM 630 CA SER A 44 -8.633 3.106 -7.072 1.00 0.00 C ATOM 631 C SER A 44 -8.095 4.020 -8.177 1.00 0.00 C ATOM 632 O SER A 44 -7.926 5.205 -7.985 1.00 0.00 O ATOM 633 CB SER A 44 -8.483 3.794 -5.714 1.00 0.00 C ATOM 634 OG SER A 44 -9.184 5.028 -5.729 1.00 0.00 O ATOM 0 H SER A 44 -6.895 1.920 -6.736 1.00 0.00 H new ATOM 0 HA SER A 44 -9.685 2.898 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.872 3.152 -4.924 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.429 3.965 -5.495 1.00 0.00 H new ATOM 0 HG SER A 44 -9.089 5.469 -4.859 1.00 0.00 H new ATOM 640 N ASN A 45 -7.820 3.474 -9.330 1.00 0.00 N ATOM 641 CA ASN A 45 -7.283 4.298 -10.453 1.00 0.00 C ATOM 642 C ASN A 45 -6.189 5.233 -9.931 1.00 0.00 C ATOM 643 O ASN A 45 -6.158 6.409 -10.236 1.00 0.00 O ATOM 644 CB ASN A 45 -8.402 5.118 -11.112 1.00 0.00 C ATOM 645 CG ASN A 45 -9.332 5.695 -10.047 1.00 0.00 C ATOM 646 OD1 ASN A 45 -10.126 4.983 -9.464 1.00 0.00 O ATOM 647 ND2 ASN A 45 -9.267 6.967 -9.767 1.00 0.00 N ATOM 0 H ASN A 45 -7.945 2.485 -9.545 1.00 0.00 H new ATOM 0 HA ASN A 45 -6.861 3.629 -11.203 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -7.971 5.925 -11.704 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -8.969 4.488 -11.797 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -9.883 7.365 -9.058 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -8.600 7.564 -10.257 1.00 0.00 H new ATOM 654 N GLY A 46 -5.286 4.702 -9.154 1.00 0.00 N ATOM 655 CA GLY A 46 -4.167 5.520 -8.604 1.00 0.00 C ATOM 656 C GLY A 46 -4.664 6.890 -8.144 1.00 0.00 C ATOM 657 O GLY A 46 -4.039 7.903 -8.387 1.00 0.00 O ATOM 0 H GLY A 46 -5.276 3.722 -8.872 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.707 4.996 -7.766 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.396 5.645 -9.364 1.00 0.00 H new ATOM 661 N THR A 47 -5.765 6.923 -7.456 1.00 0.00 N ATOM 662 CA THR A 47 -6.291 8.224 -6.944 1.00 0.00 C ATOM 663 C THR A 47 -6.179 8.223 -5.422 1.00 0.00 C ATOM 664 O THR A 47 -6.238 9.253 -4.780 1.00 0.00 O ATOM 665 CB THR A 47 -7.755 8.398 -7.353 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.199 9.694 -6.977 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.602 7.341 -6.651 1.00 0.00 C ATOM 0 H THR A 47 -6.329 6.106 -7.223 1.00 0.00 H new ATOM 0 HA THR A 47 -5.714 9.047 -7.365 1.00 0.00 H new ATOM 0 HB THR A 47 -7.852 8.283 -8.433 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.136 9.808 -7.240 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.646 7.461 -6.939 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.258 6.348 -6.940 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.508 7.458 -5.571 1.00 0.00 H new ATOM 675 N LEU A 48 -6.006 7.068 -4.841 1.00 0.00 N ATOM 676 CA LEU A 48 -5.875 6.974 -3.380 1.00 0.00 C ATOM 677 C LEU A 48 -4.461 7.398 -2.984 1.00 0.00 C ATOM 678 O LEU A 48 -3.508 7.167 -3.701 1.00 0.00 O ATOM 679 CB LEU A 48 -6.103 5.510 -2.994 1.00 0.00 C ATOM 680 CG LEU A 48 -5.457 5.217 -1.649 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.479 4.555 -0.749 1.00 0.00 C ATOM 682 CD2 LEU A 48 -4.258 4.286 -1.843 1.00 0.00 C ATOM 0 H LEU A 48 -5.950 6.177 -5.334 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.595 7.618 -2.874 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -7.172 5.301 -2.946 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.684 4.855 -3.758 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.112 6.146 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.026 4.340 0.219 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.330 5.223 -0.612 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.818 3.625 -1.206 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.798 4.079 -0.877 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.592 3.352 -2.294 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.528 4.764 -2.497 1.00 0.00 H new ATOM 694 N THR A 49 -4.318 7.997 -1.840 1.00 0.00 N ATOM 695 CA THR A 49 -2.969 8.411 -1.389 1.00 0.00 C ATOM 696 C THR A 49 -2.675 7.762 -0.042 1.00 0.00 C ATOM 697 O THR A 49 -3.549 7.583 0.785 1.00 0.00 O ATOM 698 CB THR A 49 -2.912 9.931 -1.249 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.301 10.299 0.067 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.859 10.575 -2.265 1.00 0.00 C ATOM 0 H THR A 49 -5.079 8.218 -1.198 1.00 0.00 H new ATOM 0 HA THR A 49 -2.226 8.095 -2.122 1.00 0.00 H new ATOM 0 HB THR A 49 -1.895 10.276 -1.436 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.263 11.274 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.818 11.660 -2.164 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.557 10.292 -3.274 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.877 10.232 -2.081 1.00 0.00 H new ATOM 708 N LEU A 50 -1.445 7.410 0.180 1.00 0.00 N ATOM 709 CA LEU A 50 -1.066 6.777 1.455 1.00 0.00 C ATOM 710 C LEU A 50 -1.262 7.806 2.575 1.00 0.00 C ATOM 711 O LEU A 50 -1.481 8.973 2.316 1.00 0.00 O ATOM 712 CB LEU A 50 0.405 6.370 1.324 1.00 0.00 C ATOM 713 CG LEU A 50 1.045 6.089 2.679 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.533 4.755 3.221 1.00 0.00 C ATOM 715 CD2 LEU A 50 2.555 6.010 2.476 1.00 0.00 C ATOM 0 H LEU A 50 -0.679 7.538 -0.481 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.670 5.900 1.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.480 5.482 0.697 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.957 7.164 0.820 1.00 0.00 H new ATOM 0 HG LEU A 50 0.795 6.877 3.389 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.992 4.556 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.550 4.800 3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.792 3.956 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 50 3.041 5.809 3.431 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.786 5.208 1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.918 6.957 2.076 1.00 0.00 H new ATOM 727 N SER A 51 -1.181 7.401 3.808 1.00 0.00 N ATOM 728 CA SER A 51 -1.356 8.369 4.917 1.00 0.00 C ATOM 729 C SER A 51 -0.183 8.229 5.887 1.00 0.00 C ATOM 730 O SER A 51 0.268 9.189 6.478 1.00 0.00 O ATOM 731 CB SER A 51 -2.663 8.085 5.660 1.00 0.00 C ATOM 732 OG SER A 51 -3.538 9.193 5.502 1.00 0.00 O ATOM 0 H SER A 51 -1.001 6.439 4.095 1.00 0.00 H new ATOM 0 HA SER A 51 -1.390 9.381 4.512 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.128 7.180 5.270 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.464 7.911 6.717 1.00 0.00 H new ATOM 0 HG SER A 51 -4.040 9.335 6.332 1.00 0.00 H new ATOM 738 N HIS A 52 0.312 7.032 6.054 1.00 0.00 N ATOM 739 CA HIS A 52 1.454 6.813 6.982 1.00 0.00 C ATOM 740 C HIS A 52 1.830 5.335 6.949 1.00 0.00 C ATOM 741 O HIS A 52 0.983 4.473 6.830 1.00 0.00 O ATOM 742 CB HIS A 52 1.040 7.203 8.402 1.00 0.00 C ATOM 743 CG HIS A 52 0.036 6.209 8.919 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.084 5.912 10.268 1.00 0.00 N ATOM 745 CD2 HIS A 52 -0.897 5.427 8.280 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.055 4.989 10.393 1.00 0.00 C ATOM 747 NE2 HIS A 52 -1.581 4.663 9.217 1.00 0.00 N ATOM 0 H HIS A 52 -0.029 6.193 5.584 1.00 0.00 H new ATOM 0 HA HIS A 52 2.305 7.422 6.678 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.913 7.227 9.054 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.611 8.205 8.406 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.463 6.319 11.027 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.071 5.409 7.214 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.369 4.564 11.335 1.00 0.00 H new ATOM 755 N PHE A 53 3.090 5.025 7.040 1.00 0.00 N ATOM 756 CA PHE A 53 3.494 3.598 7.002 1.00 0.00 C ATOM 757 C PHE A 53 3.218 2.936 8.352 1.00 0.00 C ATOM 758 O PHE A 53 3.903 3.165 9.327 1.00 0.00 O ATOM 759 CB PHE A 53 4.976 3.489 6.677 1.00 0.00 C ATOM 760 CG PHE A 53 5.242 4.120 5.330 1.00 0.00 C ATOM 761 CD1 PHE A 53 5.379 5.508 5.224 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.344 3.316 4.187 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.621 6.095 3.976 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.584 3.904 2.940 1.00 0.00 C ATOM 765 CZ PHE A 53 5.723 5.293 2.834 1.00 0.00 C ATOM 0 H PHE A 53 3.853 5.695 7.138 1.00 0.00 H new ATOM 0 HA PHE A 53 2.915 3.090 6.230 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.566 3.986 7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.282 2.443 6.668 1.00 0.00 H new ATOM 0 HD1 PHE A 53 5.298 6.127 6.105 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.238 2.244 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.729 7.167 3.895 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.662 3.285 2.058 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.909 5.745 1.871 1.00 0.00 H new ATOM 775 N GLY A 54 2.214 2.114 8.396 1.00 0.00 N ATOM 776 CA GLY A 54 1.855 1.411 9.648 1.00 0.00 C ATOM 777 C GLY A 54 0.367 1.083 9.616 1.00 0.00 C ATOM 778 O GLY A 54 -0.332 1.373 8.664 1.00 0.00 O ATOM 0 H GLY A 54 1.616 1.896 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.441 0.498 9.750 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.086 2.035 10.511 1.00 0.00 H new ATOM 782 N LYS A 55 -0.119 0.511 10.666 1.00 0.00 N ATOM 783 CA LYS A 55 -1.571 0.181 10.748 1.00 0.00 C ATOM 784 C LYS A 55 -2.295 1.368 11.385 1.00 0.00 C ATOM 785 O LYS A 55 -1.899 1.858 12.424 1.00 0.00 O ATOM 786 CB LYS A 55 -1.803 -1.083 11.594 1.00 0.00 C ATOM 787 CG LYS A 55 -0.554 -1.424 12.412 1.00 0.00 C ATOM 788 CD LYS A 55 -0.873 -2.559 13.386 1.00 0.00 C ATOM 789 CE LYS A 55 -0.184 -2.291 14.724 1.00 0.00 C ATOM 790 NZ LYS A 55 -1.214 -2.079 15.780 1.00 0.00 N ATOM 0 H LYS A 55 0.428 0.251 11.487 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.955 -0.012 9.746 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.650 -0.929 12.262 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.058 -1.920 10.944 1.00 0.00 H new ATOM 0 HG2 LYS A 55 0.259 -1.719 11.748 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.215 -0.545 12.960 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.951 -2.638 13.529 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.536 -3.511 12.975 1.00 0.00 H new ATOM 0 HE2 LYS A 55 0.457 -3.132 14.990 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.458 -1.413 14.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.745 -1.897 16.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.808 -1.264 15.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.808 -2.929 15.861 1.00 0.00 H new ATOM 804 N CYS A 56 -3.341 1.843 10.772 1.00 0.00 N ATOM 805 CA CYS A 56 -4.071 3.008 11.347 1.00 0.00 C ATOM 806 C CYS A 56 -4.302 2.782 12.842 1.00 0.00 C ATOM 807 O CYS A 56 -5.304 2.173 13.182 1.00 0.00 O ATOM 808 CB CYS A 56 -5.419 3.170 10.642 1.00 0.00 C ATOM 809 SG CYS A 56 -5.169 4.033 9.073 1.00 0.00 S ATOM 810 OXT CYS A 56 -3.473 3.220 13.623 1.00 0.00 O ATOM 0 H CYS A 56 -3.723 1.477 9.900 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.477 3.910 11.204 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -5.871 2.194 10.466 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -6.108 3.731 11.273 1.00 0.00 H new TER 815 CYS A 56