USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 337 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 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 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 158:sc= -2.67! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 140:sc= -0.0702 USER MOD Single : A 20 TYR OH : rot 180:sc= -0.873 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= -0.866 X(o=-0.87,f=-0.43) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0638 (180deg=-0.419) USER MOD Single : A 30 THR OG1 : rot 115:sc= -0.591 USER MOD Single : A 31 TYR OH : rot 100:sc= -5.12! USER MOD Single : A 33 ASN : amide:sc= -3.21! C(o=-3.2!,f=-5.3!) USER MOD Single : A 34 LYS NZ :NH3+ -153:sc= -0.712 (180deg=-1.71!) USER MOD Single : A 36 ASN : amide:sc= 0.0236 X(o=0.024,f=0) USER MOD Single : A 39 ASN : amide:sc= -0.425 X(o=-0.43,f=-0.26) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.105 X(o=-0.11,f=-0.56) 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 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= 0.146 K(o=0.15,f=-1.7!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -18.768 4.481 -1.199 1.00 0.00 N ATOM 2 CA LEU A 1 -17.899 4.642 -0.046 1.00 0.00 C ATOM 3 C LEU A 1 -16.444 4.705 -0.515 1.00 0.00 C ATOM 4 O LEU A 1 -16.001 5.725 -1.041 1.00 0.00 O ATOM 5 CB LEU A 1 -18.165 3.543 0.984 1.00 0.00 C ATOM 6 CG LEU A 1 -17.322 3.599 2.259 1.00 0.00 C ATOM 7 CD1 LEU A 1 -18.202 3.826 3.490 1.00 0.00 C ATOM 8 CD2 LEU A 1 -16.454 2.347 2.398 1.00 0.00 C ATOM 0 H1 LEU A 1 -19.758 4.438 -0.884 1.00 0.00 H new ATOM 0 H2 LEU A 1 -18.644 5.289 -1.842 1.00 0.00 H new ATOM 0 H3 LEU A 1 -18.524 3.601 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 1 -18.112 5.582 0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -19.217 3.584 1.266 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -18.001 2.577 0.506 1.00 0.00 H new ATOM 0 HG LEU A 1 -16.647 4.452 2.184 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -17.577 3.862 4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -18.739 4.769 3.385 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -18.918 3.009 3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -15.865 2.412 3.313 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -17.092 1.465 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -15.785 2.271 1.540 1.00 0.00 H new ATOM 19 N ALA A 2 -15.740 3.602 -0.307 1.00 0.00 N ATOM 20 CA ALA A 2 -14.344 3.519 -0.702 1.00 0.00 C ATOM 21 C ALA A 2 -13.513 4.453 0.179 1.00 0.00 C ATOM 22 O ALA A 2 -13.961 4.866 1.247 1.00 0.00 O ATOM 23 CB ALA A 2 -14.214 3.850 -2.190 1.00 0.00 C ATOM 0 H ALA A 2 -16.110 2.758 0.130 1.00 0.00 H new ATOM 0 HA ALA A 2 -13.964 2.507 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.167 3.788 -2.486 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.799 3.139 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.583 4.859 -2.372 1.00 0.00 H new ATOM 29 N ALA A 3 -12.317 4.760 -0.302 1.00 0.00 N ATOM 30 CA ALA A 3 -11.419 5.638 0.429 1.00 0.00 C ATOM 31 C ALA A 3 -11.046 4.985 1.762 1.00 0.00 C ATOM 32 O ALA A 3 -11.526 5.400 2.816 1.00 0.00 O ATOM 33 CB ALA A 3 -12.080 7.004 0.614 1.00 0.00 C ATOM 0 H ALA A 3 -11.949 4.416 -1.189 1.00 0.00 H new ATOM 0 HA ALA A 3 -10.497 5.795 -0.130 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.407 7.663 1.162 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.297 7.438 -0.362 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -13.008 6.886 1.174 1.00 0.00 H new ATOM 39 N VAL A 4 -10.195 3.974 1.672 1.00 0.00 N ATOM 40 CA VAL A 4 -9.753 3.260 2.858 1.00 0.00 C ATOM 41 C VAL A 4 -8.231 3.365 2.974 1.00 0.00 C ATOM 42 O VAL A 4 -7.566 3.836 2.052 1.00 0.00 O ATOM 43 CB VAL A 4 -10.250 1.813 2.813 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.588 1.040 1.670 1.00 0.00 C ATOM 45 CG2 VAL A 4 -10.021 1.113 4.154 1.00 0.00 C ATOM 0 H VAL A 4 -9.800 3.632 0.796 1.00 0.00 H new ATOM 0 HA VAL A 4 -10.179 3.709 3.755 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.323 1.833 2.625 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.959 0.015 1.661 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.825 1.520 0.721 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.507 1.033 1.813 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -10.383 0.087 4.095 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.956 1.110 4.385 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.561 1.644 4.938 1.00 0.00 H new ATOM 55 N SER A 5 -7.724 2.920 4.113 1.00 0.00 N ATOM 56 CA SER A 5 -6.293 2.958 4.362 1.00 0.00 C ATOM 57 C SER A 5 -5.819 1.607 4.901 1.00 0.00 C ATOM 58 O SER A 5 -6.477 1.008 5.750 1.00 0.00 O ATOM 59 CB SER A 5 -5.935 4.076 5.343 1.00 0.00 C ATOM 60 OG SER A 5 -4.546 4.397 5.302 1.00 0.00 O ATOM 0 H SER A 5 -8.279 2.531 4.875 1.00 0.00 H new ATOM 0 HA SER A 5 -5.787 3.163 3.419 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.520 4.965 5.108 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.208 3.773 6.354 1.00 0.00 H new ATOM 0 HG SER A 5 -4.357 5.116 5.941 1.00 0.00 H new ATOM 65 N VAL A 6 -4.680 1.166 4.386 1.00 0.00 N ATOM 66 CA VAL A 6 -4.111 -0.103 4.804 1.00 0.00 C ATOM 67 C VAL A 6 -3.087 0.144 5.914 1.00 0.00 C ATOM 68 O VAL A 6 -2.533 1.237 6.020 1.00 0.00 O ATOM 69 CB VAL A 6 -3.520 -0.835 3.598 1.00 0.00 C ATOM 70 CG1 VAL A 6 -4.623 -1.286 2.636 1.00 0.00 C ATOM 71 CG2 VAL A 6 -2.489 0.037 2.878 1.00 0.00 C ATOM 0 H VAL A 6 -4.136 1.666 3.683 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.885 -0.752 5.213 1.00 0.00 H new ATOM 0 HB VAL A 6 -3.009 -1.725 3.964 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.176 -1.804 1.787 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.305 -1.960 3.154 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.174 -0.415 2.281 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -2.084 -0.507 2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -2.966 0.953 2.531 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -1.681 0.287 3.565 1.00 0.00 H new ATOM 81 N ASP A 7 -2.865 -0.890 6.712 1.00 0.00 N ATOM 82 CA ASP A 7 -1.917 -0.798 7.809 1.00 0.00 C ATOM 83 C ASP A 7 -0.511 -0.579 7.246 1.00 0.00 C ATOM 84 O ASP A 7 -0.042 -1.360 6.419 1.00 0.00 O ATOM 85 CB ASP A 7 -1.902 -2.088 8.632 1.00 0.00 C ATOM 86 CG ASP A 7 -1.106 -2.014 9.937 1.00 0.00 C ATOM 87 OD1 ASP A 7 -0.625 -0.940 10.331 1.00 0.00 O ATOM 88 OD2 ASP A 7 -0.987 -3.132 10.568 1.00 0.00 O ATOM 0 H ASP A 7 -3.325 -1.796 6.621 1.00 0.00 H new ATOM 0 HA ASP A 7 -2.218 0.033 8.446 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.930 -2.363 8.866 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.490 -2.888 8.018 1.00 0.00 H new ATOM 93 N CYS A 8 0.120 0.486 7.716 1.00 0.00 N ATOM 94 CA CYS A 8 1.463 0.817 7.270 1.00 0.00 C ATOM 95 C CYS A 8 2.142 1.647 8.362 1.00 0.00 C ATOM 96 O CYS A 8 2.952 2.523 8.066 1.00 0.00 O ATOM 97 CB CYS A 8 1.448 1.546 5.925 1.00 0.00 C ATOM 98 SG CYS A 8 0.578 0.660 4.581 1.00 0.00 S ATOM 0 H CYS A 8 -0.273 1.131 8.401 1.00 0.00 H new ATOM 0 HA CYS A 8 2.031 -0.099 7.106 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.979 2.521 6.061 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.477 1.728 5.615 1.00 0.00 H new ATOM 102 N SER A 9 1.784 1.341 9.601 1.00 0.00 N ATOM 103 CA SER A 9 2.347 2.048 10.738 1.00 0.00 C ATOM 104 C SER A 9 3.330 1.141 11.482 1.00 0.00 C ATOM 105 O SER A 9 3.320 1.086 12.711 1.00 0.00 O ATOM 106 CB SER A 9 1.249 2.531 11.686 1.00 0.00 C ATOM 107 OG SER A 9 1.517 3.836 12.192 1.00 0.00 O ATOM 0 H SER A 9 1.111 0.613 9.842 1.00 0.00 H new ATOM 0 HA SER A 9 2.879 2.924 10.367 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.293 2.535 11.162 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.154 1.832 12.517 1.00 0.00 H new ATOM 0 HG SER A 9 0.792 4.109 12.792 1.00 0.00 H new ATOM 112 N GLU A 10 4.155 0.453 10.708 1.00 0.00 N ATOM 113 CA GLU A 10 5.142 -0.448 11.278 1.00 0.00 C ATOM 114 C GLU A 10 6.230 -0.762 10.250 1.00 0.00 C ATOM 115 O GLU A 10 6.846 -1.827 10.300 1.00 0.00 O ATOM 116 CB GLU A 10 4.482 -1.731 11.789 1.00 0.00 C ATOM 117 CG GLU A 10 3.748 -2.456 10.660 1.00 0.00 C ATOM 118 CD GLU A 10 2.488 -1.692 10.245 1.00 0.00 C ATOM 119 OE1 GLU A 10 2.480 -1.035 9.194 1.00 0.00 O ATOM 120 OE2 GLU A 10 1.494 -1.798 11.059 1.00 0.00 O ATOM 0 H GLU A 10 4.160 0.501 9.689 1.00 0.00 H new ATOM 0 HA GLU A 10 5.608 0.046 12.131 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.239 -2.388 12.217 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.781 -1.490 12.588 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.411 -2.565 9.802 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.478 -3.461 10.984 1.00 0.00 H new ATOM 126 N TYR A 11 6.434 0.182 9.344 1.00 0.00 N ATOM 127 CA TYR A 11 7.438 0.018 8.305 1.00 0.00 C ATOM 128 C TYR A 11 8.649 0.915 8.568 1.00 0.00 C ATOM 129 O TYR A 11 8.574 1.849 9.366 1.00 0.00 O ATOM 130 CB TYR A 11 6.770 0.452 7.000 1.00 0.00 C ATOM 131 CG TYR A 11 6.551 -0.687 6.003 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.594 -1.650 6.256 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.309 -0.753 4.852 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.389 -2.723 5.318 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.104 -1.826 3.914 1.00 0.00 C ATOM 136 CZ TYR A 11 6.153 -2.758 4.193 1.00 0.00 C ATOM 137 OH TYR A 11 5.959 -3.772 3.308 1.00 0.00 O ATOM 0 H TYR A 11 5.922 1.063 9.307 1.00 0.00 H new ATOM 0 HA TYR A 11 7.790 -1.013 8.270 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.808 0.909 7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.382 1.221 6.529 1.00 0.00 H new ATOM 0 HD1 TYR A 11 5.000 -1.598 7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.057 0.001 4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.645 -3.483 5.504 1.00 0.00 H new ATOM 0 HE2 TYR A 11 7.692 -1.889 3.010 1.00 0.00 H new ATOM 0 HH TYR A 11 6.291 -3.504 2.426 1.00 0.00 H new ATOM 146 N PRO A 12 9.767 0.594 7.862 1.00 0.00 N ATOM 147 CA PRO A 12 9.771 -0.527 6.939 1.00 0.00 C ATOM 148 C PRO A 12 9.821 -1.859 7.691 1.00 0.00 C ATOM 149 O PRO A 12 10.527 -1.986 8.689 1.00 0.00 O ATOM 150 CB PRO A 12 10.985 -0.302 6.051 1.00 0.00 C ATOM 151 CG PRO A 12 11.873 0.676 6.803 1.00 0.00 C ATOM 152 CD PRO A 12 11.051 1.285 7.926 1.00 0.00 C ATOM 0 HA PRO A 12 8.861 -0.582 6.342 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.509 -1.239 5.860 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.691 0.102 5.082 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.748 0.165 7.205 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.238 1.454 6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.532 1.138 8.893 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.930 2.360 7.790 1.00 0.00 H new ATOM 157 N LYS A 13 9.060 -2.818 7.183 1.00 0.00 N ATOM 158 CA LYS A 13 9.007 -4.134 7.795 1.00 0.00 C ATOM 159 C LYS A 13 10.081 -5.026 7.168 1.00 0.00 C ATOM 160 O LYS A 13 10.415 -4.870 5.994 1.00 0.00 O ATOM 161 CB LYS A 13 7.595 -4.714 7.700 1.00 0.00 C ATOM 162 CG LYS A 13 6.737 -4.264 8.884 1.00 0.00 C ATOM 163 CD LYS A 13 5.887 -5.420 9.416 1.00 0.00 C ATOM 164 CE LYS A 13 5.468 -5.171 10.866 1.00 0.00 C ATOM 165 NZ LYS A 13 6.184 -6.091 11.778 1.00 0.00 N ATOM 0 H LYS A 13 8.475 -2.709 6.354 1.00 0.00 H new ATOM 0 HA LYS A 13 9.228 -4.067 8.860 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.129 -4.396 6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.646 -5.803 7.676 1.00 0.00 H new ATOM 0 HG2 LYS A 13 7.379 -3.884 9.679 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.089 -3.443 8.577 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.001 -5.541 8.793 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.451 -6.350 9.351 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.682 -4.138 11.140 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.392 -5.312 10.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.888 -5.908 12.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.959 -7.075 11.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.209 -5.937 11.692 1.00 0.00 H new ATOM 175 N ASP A 14 10.592 -5.942 7.979 1.00 0.00 N ATOM 176 CA ASP A 14 11.621 -6.857 7.518 1.00 0.00 C ATOM 177 C ASP A 14 10.961 -8.103 6.924 1.00 0.00 C ATOM 178 O ASP A 14 11.388 -9.225 7.192 1.00 0.00 O ATOM 179 CB ASP A 14 12.519 -7.304 8.674 1.00 0.00 C ATOM 180 CG ASP A 14 14.007 -7.405 8.335 1.00 0.00 C ATOM 181 OD1 ASP A 14 14.393 -8.018 7.329 1.00 0.00 O ATOM 182 OD2 ASP A 14 14.797 -6.814 9.167 1.00 0.00 O ATOM 0 H ASP A 14 10.312 -6.069 8.952 1.00 0.00 H new ATOM 0 HA ASP A 14 12.224 -6.338 6.772 1.00 0.00 H new ATOM 0 HB2 ASP A 14 12.397 -6.604 9.501 1.00 0.00 H new ATOM 0 HB3 ASP A 14 12.175 -8.277 9.026 1.00 0.00 H new ATOM 187 N ALA A 15 9.929 -7.864 6.128 1.00 0.00 N ATOM 188 CA ALA A 15 9.204 -8.952 5.494 1.00 0.00 C ATOM 189 C ALA A 15 8.217 -8.377 4.476 1.00 0.00 C ATOM 190 O ALA A 15 8.151 -7.164 4.287 1.00 0.00 O ATOM 191 CB ALA A 15 8.512 -9.797 6.565 1.00 0.00 C ATOM 0 H ALA A 15 9.578 -6.932 5.908 1.00 0.00 H new ATOM 0 HA ALA A 15 9.889 -9.607 4.955 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.968 -10.613 6.089 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.259 -10.206 7.245 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.815 -9.174 7.125 1.00 0.00 H new ATOM 197 N CYS A 16 7.474 -9.276 3.848 1.00 0.00 N ATOM 198 CA CYS A 16 6.492 -8.874 2.854 1.00 0.00 C ATOM 199 C CYS A 16 5.302 -9.830 2.940 1.00 0.00 C ATOM 200 O CYS A 16 5.250 -10.686 3.822 1.00 0.00 O ATOM 201 CB CYS A 16 7.094 -8.835 1.448 1.00 0.00 C ATOM 202 SG CYS A 16 6.358 -7.585 0.333 1.00 0.00 S ATOM 0 H CYS A 16 7.532 -10.282 4.008 1.00 0.00 H new ATOM 0 HA CYS A 16 6.155 -7.858 3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.164 -8.642 1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.982 -9.819 0.992 1.00 0.00 H new ATOM 206 N THR A 17 4.374 -9.654 2.011 1.00 0.00 N ATOM 207 CA THR A 17 3.188 -10.492 1.969 1.00 0.00 C ATOM 208 C THR A 17 3.184 -11.350 0.704 1.00 0.00 C ATOM 209 O THR A 17 3.700 -10.936 -0.333 1.00 0.00 O ATOM 210 CB THR A 17 1.963 -9.583 2.091 1.00 0.00 C ATOM 211 OG1 THR A 17 1.905 -8.909 0.836 1.00 0.00 O ATOM 212 CG2 THR A 17 2.166 -8.458 3.108 1.00 0.00 C ATOM 0 H THR A 17 4.420 -8.943 1.281 1.00 0.00 H new ATOM 0 HA THR A 17 3.173 -11.197 2.800 1.00 0.00 H new ATOM 0 HB THR A 17 1.097 -10.179 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.972 -8.840 0.545 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.267 -7.843 3.155 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.364 -8.887 4.090 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.012 -7.841 2.804 1.00 0.00 H new ATOM 220 N LEU A 18 2.596 -12.531 0.829 1.00 0.00 N ATOM 221 CA LEU A 18 2.519 -13.452 -0.292 1.00 0.00 C ATOM 222 C LEU A 18 1.219 -13.204 -1.061 1.00 0.00 C ATOM 223 O LEU A 18 1.139 -13.479 -2.257 1.00 0.00 O ATOM 224 CB LEU A 18 2.684 -14.895 0.187 1.00 0.00 C ATOM 225 CG LEU A 18 1.599 -15.416 1.131 1.00 0.00 C ATOM 226 CD1 LEU A 18 0.519 -16.175 0.359 1.00 0.00 C ATOM 227 CD2 LEU A 18 2.208 -16.266 2.250 1.00 0.00 C ATOM 0 H LEU A 18 2.168 -12.871 1.690 1.00 0.00 H new ATOM 0 HA LEU A 18 3.340 -13.276 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.720 -15.545 -0.687 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.647 -14.982 0.689 1.00 0.00 H new ATOM 0 HG LEU A 18 1.116 -14.560 1.602 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.240 -16.535 1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 18 0.057 -15.509 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.969 -17.023 -0.158 1.00 0.00 H new ATOM 0 HD21 LEU A 18 1.416 -16.624 2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.732 -17.118 1.816 1.00 0.00 H new ATOM 0 HD23 LEU A 18 2.910 -15.662 2.824 1.00 0.00 H new ATOM 238 N GLU A 19 0.233 -12.687 -0.343 1.00 0.00 N ATOM 239 CA GLU A 19 -1.058 -12.399 -0.942 1.00 0.00 C ATOM 240 C GLU A 19 -0.918 -11.314 -2.011 1.00 0.00 C ATOM 241 O GLU A 19 -0.004 -10.494 -1.951 1.00 0.00 O ATOM 242 CB GLU A 19 -2.079 -11.992 0.123 1.00 0.00 C ATOM 243 CG GLU A 19 -1.763 -10.603 0.681 1.00 0.00 C ATOM 244 CD GLU A 19 -1.258 -10.693 2.123 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.653 -11.705 2.506 1.00 0.00 O ATOM 246 OE2 GLU A 19 -1.513 -9.662 2.855 1.00 0.00 O ATOM 0 H GLU A 19 0.303 -12.460 0.649 1.00 0.00 H new ATOM 0 HA GLU A 19 -1.424 -13.307 -1.421 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.080 -11.996 -0.307 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.077 -12.722 0.932 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.011 -10.119 0.058 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.657 -9.980 0.643 1.00 0.00 H new ATOM 252 N TYR A 20 -1.837 -11.345 -2.965 1.00 0.00 N ATOM 253 CA TYR A 20 -1.826 -10.374 -4.045 1.00 0.00 C ATOM 254 C TYR A 20 -3.032 -9.436 -3.951 1.00 0.00 C ATOM 255 O TYR A 20 -4.175 -9.876 -4.060 1.00 0.00 O ATOM 256 CB TYR A 20 -1.925 -11.183 -5.341 1.00 0.00 C ATOM 257 CG TYR A 20 -2.396 -10.370 -6.548 1.00 0.00 C ATOM 258 CD1 TYR A 20 -2.048 -9.039 -6.661 1.00 0.00 C ATOM 259 CD2 TYR A 20 -3.169 -10.967 -7.523 1.00 0.00 C ATOM 260 CE1 TYR A 20 -2.492 -8.273 -7.798 1.00 0.00 C ATOM 261 CE2 TYR A 20 -3.611 -10.201 -8.660 1.00 0.00 C ATOM 262 CZ TYR A 20 -3.251 -8.892 -8.741 1.00 0.00 C ATOM 263 OH TYR A 20 -3.670 -8.170 -9.814 1.00 0.00 O ATOM 0 H TYR A 20 -2.594 -12.027 -3.012 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.925 -9.762 -4.002 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.949 -11.613 -5.564 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.612 -12.015 -5.186 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.443 -8.572 -5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.442 -12.008 -7.434 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.228 -7.231 -7.899 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -4.215 -10.656 -9.431 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.202 -8.742 -10.406 1.00 0.00 H new ATOM 272 N ARG A 21 -2.734 -8.161 -3.750 1.00 0.00 N ATOM 273 CA ARG A 21 -3.780 -7.157 -3.640 1.00 0.00 C ATOM 274 C ARG A 21 -3.319 -5.841 -4.269 1.00 0.00 C ATOM 275 O ARG A 21 -2.584 -5.075 -3.648 1.00 0.00 O ATOM 276 CB ARG A 21 -4.155 -6.911 -2.177 1.00 0.00 C ATOM 277 CG ARG A 21 -5.338 -7.788 -1.760 1.00 0.00 C ATOM 278 CD ARG A 21 -4.932 -8.765 -0.655 1.00 0.00 C ATOM 279 NE ARG A 21 -4.829 -10.135 -1.204 1.00 0.00 N ATOM 280 CZ ARG A 21 -5.872 -10.963 -1.359 1.00 0.00 C ATOM 281 NH1 ARG A 21 -7.102 -10.565 -1.007 1.00 0.00 N ATOM 282 NH2 ARG A 21 -5.685 -12.189 -1.865 1.00 0.00 N ATOM 0 H ARG A 21 -1.784 -7.800 -3.660 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.656 -7.530 -4.170 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -3.298 -7.122 -1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.408 -5.860 -2.034 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.157 -7.159 -1.411 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -5.707 -8.342 -2.623 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.977 -8.464 -0.225 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.666 -8.741 0.151 1.00 0.00 H new ATOM 0 HE ARG A 21 -3.907 -10.471 -1.482 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -7.245 -9.632 -0.621 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -7.895 -11.195 -1.125 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.749 -12.493 -2.133 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -6.479 -12.819 -1.983 1.00 0.00 H new ATOM 293 N PRO A 22 -3.784 -5.612 -5.527 1.00 0.00 N ATOM 294 CA PRO A 22 -3.427 -4.402 -6.247 1.00 0.00 C ATOM 295 C PRO A 22 -4.197 -3.195 -5.707 1.00 0.00 C ATOM 296 O PRO A 22 -5.428 -3.184 -5.715 1.00 0.00 O ATOM 297 CB PRO A 22 -3.743 -4.704 -7.704 1.00 0.00 C ATOM 298 CG PRO A 22 -4.692 -5.890 -7.688 1.00 0.00 C ATOM 299 CD PRO A 22 -4.656 -6.496 -6.294 1.00 0.00 C ATOM 0 HA PRO A 22 -2.377 -4.136 -6.127 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.202 -3.843 -8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.835 -4.938 -8.260 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.704 -5.573 -7.941 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.394 -6.628 -8.433 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.654 -6.544 -5.857 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.268 -7.514 -6.315 1.00 0.00 H new ATOM 304 N LEU A 23 -3.442 -2.208 -5.249 1.00 0.00 N ATOM 305 CA LEU A 23 -4.037 -0.999 -4.705 1.00 0.00 C ATOM 306 C LEU A 23 -3.462 0.219 -5.431 1.00 0.00 C ATOM 307 O LEU A 23 -2.430 0.121 -6.094 1.00 0.00 O ATOM 308 CB LEU A 23 -3.860 -0.951 -3.187 1.00 0.00 C ATOM 309 CG LEU A 23 -2.503 -1.419 -2.654 1.00 0.00 C ATOM 310 CD1 LEU A 23 -2.001 -0.493 -1.544 1.00 0.00 C ATOM 311 CD2 LEU A 23 -2.566 -2.877 -2.200 1.00 0.00 C ATOM 0 H LEU A 23 -2.422 -2.221 -5.243 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.113 -0.994 -4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.025 0.074 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.638 -1.563 -2.731 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.780 -1.367 -3.468 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.036 -0.848 -1.183 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.893 0.519 -1.935 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.717 -0.489 -0.722 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.589 -3.184 -1.826 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.307 -2.979 -1.407 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.847 -3.509 -3.043 1.00 0.00 H new ATOM 322 N CYS A 24 -4.154 1.339 -5.281 1.00 0.00 N ATOM 323 CA CYS A 24 -3.725 2.574 -5.914 1.00 0.00 C ATOM 324 C CYS A 24 -3.532 3.630 -4.824 1.00 0.00 C ATOM 325 O CYS A 24 -4.418 3.845 -3.998 1.00 0.00 O ATOM 326 CB CYS A 24 -4.715 3.034 -6.985 1.00 0.00 C ATOM 327 SG CYS A 24 -4.440 4.735 -7.604 1.00 0.00 S ATOM 0 H CYS A 24 -5.009 1.417 -4.730 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.780 2.411 -6.432 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -4.665 2.343 -7.827 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -5.724 2.969 -6.579 1.00 0.00 H new ATOM 331 N GLY A 25 -2.368 4.262 -4.856 1.00 0.00 N ATOM 332 CA GLY A 25 -2.047 5.291 -3.880 1.00 0.00 C ATOM 333 C GLY A 25 -2.545 6.661 -4.345 1.00 0.00 C ATOM 334 O GLY A 25 -3.153 6.776 -5.409 1.00 0.00 O ATOM 0 H GLY A 25 -1.635 4.082 -5.542 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.500 5.042 -2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.969 5.326 -3.724 1.00 0.00 H new ATOM 338 N SER A 26 -2.270 7.665 -3.525 1.00 0.00 N ATOM 339 CA SER A 26 -2.682 9.022 -3.839 1.00 0.00 C ATOM 340 C SER A 26 -1.737 9.629 -4.877 1.00 0.00 C ATOM 341 O SER A 26 -2.100 10.576 -5.574 1.00 0.00 O ATOM 342 CB SER A 26 -2.717 9.891 -2.580 1.00 0.00 C ATOM 343 OG SER A 26 -2.549 11.274 -2.881 1.00 0.00 O ATOM 0 H SER A 26 -1.767 7.565 -2.643 1.00 0.00 H new ATOM 0 HA SER A 26 -3.690 8.987 -4.252 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.666 9.745 -2.065 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.931 9.571 -1.896 1.00 0.00 H new ATOM 0 HG SER A 26 -2.579 11.795 -2.052 1.00 0.00 H new ATOM 348 N ASP A 27 -0.543 9.060 -4.948 1.00 0.00 N ATOM 349 CA ASP A 27 0.458 9.533 -5.890 1.00 0.00 C ATOM 350 C ASP A 27 0.228 8.866 -7.248 1.00 0.00 C ATOM 351 O ASP A 27 1.045 9.005 -8.157 1.00 0.00 O ATOM 352 CB ASP A 27 1.869 9.177 -5.420 1.00 0.00 C ATOM 353 CG ASP A 27 2.112 7.686 -5.175 1.00 0.00 C ATOM 354 OD1 ASP A 27 1.186 6.936 -4.830 1.00 0.00 O ATOM 355 OD2 ASP A 27 3.329 7.295 -5.355 1.00 0.00 O ATOM 0 H ASP A 27 -0.246 8.275 -4.368 1.00 0.00 H new ATOM 0 HA ASP A 27 0.367 10.617 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.583 9.529 -6.164 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.076 9.720 -4.498 1.00 0.00 H new ATOM 360 N ASN A 28 -0.887 8.157 -7.342 1.00 0.00 N ATOM 361 CA ASN A 28 -1.233 7.469 -8.575 1.00 0.00 C ATOM 362 C ASN A 28 -0.244 6.326 -8.810 1.00 0.00 C ATOM 363 O ASN A 28 0.207 6.111 -9.934 1.00 0.00 O ATOM 364 CB ASN A 28 -1.156 8.415 -9.774 1.00 0.00 C ATOM 365 CG ASN A 28 -1.831 7.799 -11.002 1.00 0.00 C ATOM 366 OD1 ASN A 28 -3.042 7.679 -11.083 1.00 0.00 O ATOM 367 ND2 ASN A 28 -0.981 7.416 -11.951 1.00 0.00 N ATOM 0 H ASN A 28 -1.562 8.044 -6.586 1.00 0.00 H new ATOM 0 HA ASN A 28 -2.252 7.093 -8.477 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -1.637 9.361 -9.527 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -0.113 8.637 -10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.332 6.993 -12.810 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.022 7.545 -11.820 1.00 0.00 H new ATOM 373 N LYS A 29 0.064 5.620 -7.731 1.00 0.00 N ATOM 374 CA LYS A 29 0.990 4.504 -7.806 1.00 0.00 C ATOM 375 C LYS A 29 0.241 3.204 -7.507 1.00 0.00 C ATOM 376 O LYS A 29 -0.244 3.004 -6.394 1.00 0.00 O ATOM 377 CB LYS A 29 2.194 4.744 -6.892 1.00 0.00 C ATOM 378 CG LYS A 29 3.495 4.315 -7.574 1.00 0.00 C ATOM 379 CD LYS A 29 3.962 2.954 -7.057 1.00 0.00 C ATOM 380 CE LYS A 29 5.280 2.541 -7.715 1.00 0.00 C ATOM 381 NZ LYS A 29 6.347 3.514 -7.393 1.00 0.00 N ATOM 0 H LYS A 29 -0.312 5.800 -6.800 1.00 0.00 H new ATOM 0 HA LYS A 29 1.396 4.414 -8.813 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.249 5.800 -6.627 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.066 4.189 -5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.345 4.266 -8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.268 5.062 -7.393 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.089 2.996 -5.975 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.199 2.203 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.569 1.548 -7.371 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.150 2.479 -8.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.275 3.089 -7.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.225 4.368 -7.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.291 3.770 -6.387 1.00 0.00 H new ATOM 391 N THR A 30 0.171 2.352 -8.520 1.00 0.00 N ATOM 392 CA THR A 30 -0.511 1.077 -8.380 1.00 0.00 C ATOM 393 C THR A 30 0.449 0.016 -7.838 1.00 0.00 C ATOM 394 O THR A 30 1.349 -0.432 -8.548 1.00 0.00 O ATOM 395 CB THR A 30 -1.118 0.713 -9.736 1.00 0.00 C ATOM 396 OG1 THR A 30 -2.139 1.687 -9.933 1.00 0.00 O ATOM 397 CG2 THR A 30 -1.872 -0.617 -9.702 1.00 0.00 C ATOM 0 H THR A 30 0.576 2.520 -9.441 1.00 0.00 H new ATOM 0 HA THR A 30 -1.321 1.139 -7.653 1.00 0.00 H new ATOM 0 HB THR A 30 -0.328 0.663 -10.485 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.910 2.250 -10.702 1.00 0.00 H new ATOM 0 HG21 THR A 30 -2.283 -0.828 -10.689 1.00 0.00 H new ATOM 0 HG22 THR A 30 -1.188 -1.416 -9.416 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.683 -0.557 -8.977 1.00 0.00 H new ATOM 405 N TYR A 31 0.226 -0.355 -6.587 1.00 0.00 N ATOM 406 CA TYR A 31 1.060 -1.356 -5.942 1.00 0.00 C ATOM 407 C TYR A 31 0.429 -2.745 -6.047 1.00 0.00 C ATOM 408 O TYR A 31 -0.762 -2.871 -6.328 1.00 0.00 O ATOM 409 CB TYR A 31 1.138 -0.953 -4.469 1.00 0.00 C ATOM 410 CG TYR A 31 1.847 0.381 -4.224 1.00 0.00 C ATOM 411 CD1 TYR A 31 3.225 0.439 -4.218 1.00 0.00 C ATOM 412 CD2 TYR A 31 1.107 1.525 -4.009 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.892 1.694 -3.989 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.773 2.781 -3.778 1.00 0.00 C ATOM 415 CZ TYR A 31 3.133 2.803 -3.780 1.00 0.00 C ATOM 416 OH TYR A 31 3.762 3.989 -3.562 1.00 0.00 O ATOM 0 H TYR A 31 -0.521 0.019 -6.001 1.00 0.00 H new ATOM 0 HA TYR A 31 2.041 -1.402 -6.415 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.127 -0.895 -4.065 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.658 -1.736 -3.916 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.804 -0.457 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.028 1.479 -4.014 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.970 1.753 -3.983 1.00 0.00 H new ATOM 0 HE2 TYR A 31 1.206 3.684 -3.607 1.00 0.00 H new ATOM 0 HH TYR A 31 3.768 4.513 -4.390 1.00 0.00 H new ATOM 425 N GLY A 32 1.256 -3.755 -5.815 1.00 0.00 N ATOM 426 CA GLY A 32 0.794 -5.131 -5.880 1.00 0.00 C ATOM 427 C GLY A 32 0.300 -5.608 -4.512 1.00 0.00 C ATOM 428 O GLY A 32 -0.698 -6.321 -4.424 1.00 0.00 O ATOM 0 H GLY A 32 2.243 -3.647 -5.582 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.011 -5.214 -6.611 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.604 -5.775 -6.223 1.00 0.00 H new ATOM 432 N ASN A 33 1.021 -5.194 -3.481 1.00 0.00 N ATOM 433 CA ASN A 33 0.669 -5.571 -2.122 1.00 0.00 C ATOM 434 C ASN A 33 0.867 -4.368 -1.197 1.00 0.00 C ATOM 435 O ASN A 33 1.567 -3.419 -1.548 1.00 0.00 O ATOM 436 CB ASN A 33 1.560 -6.707 -1.617 1.00 0.00 C ATOM 437 CG ASN A 33 1.573 -7.874 -2.607 1.00 0.00 C ATOM 438 OD1 ASN A 33 0.718 -8.002 -3.468 1.00 0.00 O ATOM 439 ND2 ASN A 33 2.589 -8.715 -2.437 1.00 0.00 N ATOM 0 H ASN A 33 1.847 -4.601 -3.559 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.370 -5.901 -2.122 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.575 -6.339 -1.469 1.00 0.00 H new ATOM 0 HB3 ASN A 33 1.201 -7.052 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.687 -9.526 -3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.270 -8.549 -1.696 1.00 0.00 H new ATOM 445 N LYS A 34 0.238 -4.447 -0.034 1.00 0.00 N ATOM 446 CA LYS A 34 0.337 -3.377 0.945 1.00 0.00 C ATOM 447 C LYS A 34 1.775 -3.290 1.456 1.00 0.00 C ATOM 448 O LYS A 34 2.156 -2.304 2.085 1.00 0.00 O ATOM 449 CB LYS A 34 -0.699 -3.569 2.054 1.00 0.00 C ATOM 450 CG LYS A 34 -0.075 -3.348 3.433 1.00 0.00 C ATOM 451 CD LYS A 34 -1.066 -3.692 4.546 1.00 0.00 C ATOM 452 CE LYS A 34 -0.350 -4.324 5.741 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.330 -4.921 6.676 1.00 0.00 N ATOM 0 H LYS A 34 -0.342 -5.235 0.253 1.00 0.00 H new ATOM 0 HA LYS A 34 0.104 -2.417 0.485 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.525 -2.873 1.909 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.116 -4.574 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.819 -3.964 3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.241 -2.309 3.531 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.587 -2.790 4.865 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.822 -4.379 4.165 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.343 -5.090 5.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.242 -3.569 6.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.933 -4.928 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.205 -4.359 6.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.542 -5.896 6.381 1.00 0.00 H new ATOM 463 N CYS A 35 2.537 -4.335 1.167 1.00 0.00 N ATOM 464 CA CYS A 35 3.926 -4.389 1.589 1.00 0.00 C ATOM 465 C CYS A 35 4.717 -3.367 0.772 1.00 0.00 C ATOM 466 O CYS A 35 5.445 -2.549 1.331 1.00 0.00 O ATOM 467 CB CYS A 35 4.504 -5.799 1.454 1.00 0.00 C ATOM 468 SG CYS A 35 4.874 -6.315 -0.263 1.00 0.00 S ATOM 0 H CYS A 35 2.218 -5.151 0.645 1.00 0.00 H new ATOM 0 HA CYS A 35 3.997 -4.139 2.647 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.420 -5.859 2.042 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.800 -6.509 1.888 1.00 0.00 H new ATOM 472 N ASN A 36 4.547 -3.447 -0.540 1.00 0.00 N ATOM 473 CA ASN A 36 5.237 -2.538 -1.441 1.00 0.00 C ATOM 474 C ASN A 36 4.737 -1.112 -1.201 1.00 0.00 C ATOM 475 O ASN A 36 5.527 -0.170 -1.174 1.00 0.00 O ATOM 476 CB ASN A 36 4.961 -2.897 -2.902 1.00 0.00 C ATOM 477 CG ASN A 36 6.212 -3.467 -3.572 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.856 -2.829 -4.388 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.519 -4.702 -3.185 1.00 0.00 N ATOM 0 H ASN A 36 3.942 -4.127 -1.001 1.00 0.00 H new ATOM 0 HA ASN A 36 6.307 -2.617 -1.246 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.152 -3.626 -2.955 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.627 -2.010 -3.441 1.00 0.00 H new ATOM 0 HD21 ASN A 36 7.336 -5.171 -3.576 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.937 -5.180 -2.497 1.00 0.00 H new ATOM 485 N PHE A 37 3.427 -1.000 -1.032 1.00 0.00 N ATOM 486 CA PHE A 37 2.813 0.296 -0.796 1.00 0.00 C ATOM 487 C PHE A 37 3.321 0.915 0.508 1.00 0.00 C ATOM 488 O PHE A 37 3.676 2.092 0.544 1.00 0.00 O ATOM 489 CB PHE A 37 1.305 0.061 -0.680 1.00 0.00 C ATOM 490 CG PHE A 37 0.524 1.272 -0.167 1.00 0.00 C ATOM 491 CD1 PHE A 37 0.611 1.633 1.141 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.258 1.988 -1.020 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.114 2.758 1.617 1.00 0.00 C ATOM 494 CE2 PHE A 37 -0.982 3.113 -0.544 1.00 0.00 C ATOM 495 CZ PHE A 37 -0.896 3.474 0.764 1.00 0.00 C ATOM 0 H PHE A 37 2.775 -1.784 -1.054 1.00 0.00 H new ATOM 0 HA PHE A 37 3.059 0.978 -1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.916 -0.222 -1.658 1.00 0.00 H new ATOM 0 HB3 PHE A 37 1.129 -0.782 -0.011 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.231 1.064 1.818 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.328 1.701 -2.059 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.045 3.045 2.656 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.601 3.682 -1.221 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.448 4.329 1.126 1.00 0.00 H new ATOM 504 N CYS A 38 3.341 0.093 1.548 1.00 0.00 N ATOM 505 CA CYS A 38 3.801 0.545 2.849 1.00 0.00 C ATOM 506 C CYS A 38 5.224 1.085 2.695 1.00 0.00 C ATOM 507 O CYS A 38 5.527 2.185 3.157 1.00 0.00 O ATOM 508 CB CYS A 38 3.725 -0.570 3.894 1.00 0.00 C ATOM 509 SG CYS A 38 2.067 -0.821 4.629 1.00 0.00 S ATOM 0 H CYS A 38 3.046 -0.883 1.515 1.00 0.00 H new ATOM 0 HA CYS A 38 3.149 1.340 3.212 1.00 0.00 H new ATOM 0 HB2 CYS A 38 4.048 -1.503 3.433 1.00 0.00 H new ATOM 0 HB3 CYS A 38 4.432 -0.348 4.694 1.00 0.00 H new ATOM 513 N ASN A 39 6.059 0.289 2.045 1.00 0.00 N ATOM 514 CA ASN A 39 7.443 0.674 1.825 1.00 0.00 C ATOM 515 C ASN A 39 7.483 1.989 1.046 1.00 0.00 C ATOM 516 O ASN A 39 8.427 2.766 1.180 1.00 0.00 O ATOM 517 CB ASN A 39 8.185 -0.384 1.005 1.00 0.00 C ATOM 518 CG ASN A 39 9.515 -0.755 1.665 1.00 0.00 C ATOM 519 OD1 ASN A 39 10.306 0.092 2.045 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.716 -2.064 1.780 1.00 0.00 N ATOM 0 H ASN A 39 5.804 -0.622 1.663 1.00 0.00 H new ATOM 0 HA ASN A 39 7.923 0.779 2.798 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.564 -1.274 0.905 1.00 0.00 H new ATOM 0 HB3 ASN A 39 8.367 -0.008 -0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.574 -2.413 2.208 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.012 -2.720 1.441 1.00 0.00 H new ATOM 526 N ALA A 40 6.446 2.199 0.247 1.00 0.00 N ATOM 527 CA ALA A 40 6.351 3.407 -0.554 1.00 0.00 C ATOM 528 C ALA A 40 5.921 4.574 0.337 1.00 0.00 C ATOM 529 O ALA A 40 6.297 5.719 0.092 1.00 0.00 O ATOM 530 CB ALA A 40 5.384 3.175 -1.716 1.00 0.00 C ATOM 0 H ALA A 40 5.665 1.552 0.138 1.00 0.00 H new ATOM 0 HA ALA A 40 7.321 3.659 -0.982 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.313 4.082 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.750 2.357 -2.336 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.399 2.921 -1.324 1.00 0.00 H new ATOM 536 N VAL A 41 5.141 4.242 1.356 1.00 0.00 N ATOM 537 CA VAL A 41 4.657 5.247 2.286 1.00 0.00 C ATOM 538 C VAL A 41 5.828 5.775 3.116 1.00 0.00 C ATOM 539 O VAL A 41 6.120 6.970 3.093 1.00 0.00 O ATOM 540 CB VAL A 41 3.530 4.666 3.143 1.00 0.00 C ATOM 541 CG1 VAL A 41 3.276 5.535 4.377 1.00 0.00 C ATOM 542 CG2 VAL A 41 2.251 4.492 2.323 1.00 0.00 C ATOM 0 H VAL A 41 4.833 3.291 1.557 1.00 0.00 H new ATOM 0 HA VAL A 41 4.234 6.094 1.747 1.00 0.00 H new ATOM 0 HB VAL A 41 3.844 3.680 3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.471 5.100 4.969 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.183 5.585 4.980 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.993 6.540 4.063 1.00 0.00 H new ATOM 0 HG21 VAL A 41 1.466 4.078 2.956 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.932 5.460 1.937 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.442 3.814 1.491 1.00 0.00 H new ATOM 552 N VAL A 42 6.467 4.859 3.829 1.00 0.00 N ATOM 553 CA VAL A 42 7.601 5.218 4.664 1.00 0.00 C ATOM 554 C VAL A 42 8.647 5.942 3.814 1.00 0.00 C ATOM 555 O VAL A 42 9.297 6.873 4.284 1.00 0.00 O ATOM 556 CB VAL A 42 8.153 3.972 5.360 1.00 0.00 C ATOM 557 CG1 VAL A 42 7.577 3.832 6.771 1.00 0.00 C ATOM 558 CG2 VAL A 42 7.883 2.716 4.531 1.00 0.00 C ATOM 0 H VAL A 42 6.221 3.869 3.846 1.00 0.00 H new ATOM 0 HA VAL A 42 7.293 5.905 5.452 1.00 0.00 H new ATOM 0 HB VAL A 42 9.233 4.089 5.449 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.985 2.939 7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.843 4.709 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.492 3.749 6.714 1.00 0.00 H new ATOM 0 HG21 VAL A 42 8.286 1.845 5.048 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.808 2.593 4.396 1.00 0.00 H new ATOM 0 HG23 VAL A 42 8.362 2.813 3.557 1.00 0.00 H new ATOM 568 N GLU A 43 8.777 5.484 2.578 1.00 0.00 N ATOM 569 CA GLU A 43 9.733 6.075 1.658 1.00 0.00 C ATOM 570 C GLU A 43 9.306 7.497 1.289 1.00 0.00 C ATOM 571 O GLU A 43 10.149 8.361 1.053 1.00 0.00 O ATOM 572 CB GLU A 43 9.897 5.210 0.405 1.00 0.00 C ATOM 573 CG GLU A 43 11.069 4.239 0.560 1.00 0.00 C ATOM 574 CD GLU A 43 11.863 4.127 -0.743 1.00 0.00 C ATOM 575 OE1 GLU A 43 11.357 3.572 -1.731 1.00 0.00 O ATOM 576 OE2 GLU A 43 13.045 4.641 -0.709 1.00 0.00 O ATOM 0 H GLU A 43 8.236 4.710 2.192 1.00 0.00 H new ATOM 0 HA GLU A 43 10.702 6.124 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.979 4.652 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.061 5.848 -0.463 1.00 0.00 H new ATOM 0 HG2 GLU A 43 11.725 4.579 1.362 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.696 3.256 0.849 1.00 0.00 H new ATOM 582 N SER A 44 7.997 7.696 1.251 1.00 0.00 N ATOM 583 CA SER A 44 7.447 8.999 0.916 1.00 0.00 C ATOM 584 C SER A 44 7.198 9.806 2.191 1.00 0.00 C ATOM 585 O SER A 44 6.177 10.480 2.315 1.00 0.00 O ATOM 586 CB SER A 44 6.150 8.860 0.114 1.00 0.00 C ATOM 587 OG SER A 44 6.371 8.994 -1.287 1.00 0.00 O ATOM 0 H SER A 44 7.301 6.977 1.447 1.00 0.00 H new ATOM 0 HA SER A 44 8.172 9.526 0.296 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.700 7.889 0.319 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.438 9.617 0.443 1.00 0.00 H new ATOM 0 HG SER A 44 5.520 8.897 -1.763 1.00 0.00 H new ATOM 592 N ASN A 45 8.151 9.712 3.108 1.00 0.00 N ATOM 593 CA ASN A 45 8.048 10.425 4.370 1.00 0.00 C ATOM 594 C ASN A 45 6.740 10.039 5.064 1.00 0.00 C ATOM 595 O ASN A 45 6.277 10.744 5.959 1.00 0.00 O ATOM 596 CB ASN A 45 8.035 11.939 4.147 1.00 0.00 C ATOM 597 CG ASN A 45 9.007 12.641 5.098 1.00 0.00 C ATOM 598 OD1 ASN A 45 9.278 12.185 6.196 1.00 0.00 O ATOM 599 ND2 ASN A 45 9.512 13.773 4.616 1.00 0.00 N ATOM 0 H ASN A 45 8.998 9.153 3.002 1.00 0.00 H new ATOM 0 HA ASN A 45 8.910 10.157 4.980 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.306 12.161 3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 45 7.027 12.324 4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.170 14.317 5.175 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.242 14.097 3.687 1.00 0.00 H new ATOM 605 N GLY A 46 6.183 8.920 4.626 1.00 0.00 N ATOM 606 CA GLY A 46 4.938 8.431 5.195 1.00 0.00 C ATOM 607 C GLY A 46 3.784 9.387 4.891 1.00 0.00 C ATOM 608 O GLY A 46 2.844 9.501 5.676 1.00 0.00 O ATOM 0 H GLY A 46 6.571 8.338 3.884 1.00 0.00 H new ATOM 0 HA2 GLY A 46 4.713 7.444 4.792 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.047 8.318 6.274 1.00 0.00 H new ATOM 612 N THR A 47 3.892 10.051 3.749 1.00 0.00 N ATOM 613 CA THR A 47 2.870 10.994 3.331 1.00 0.00 C ATOM 614 C THR A 47 1.913 10.337 2.335 1.00 0.00 C ATOM 615 O THR A 47 0.752 10.730 2.231 1.00 0.00 O ATOM 616 CB THR A 47 3.570 12.236 2.774 1.00 0.00 C ATOM 617 OG1 THR A 47 2.577 13.255 2.846 1.00 0.00 O ATOM 618 CG2 THR A 47 3.872 12.115 1.279 1.00 0.00 C ATOM 0 H THR A 47 4.673 9.954 3.100 1.00 0.00 H new ATOM 0 HA THR A 47 2.250 11.304 4.173 1.00 0.00 H new ATOM 0 HB THR A 47 4.498 12.406 3.320 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.946 14.096 2.506 1.00 0.00 H new ATOM 0 HG21 THR A 47 4.368 13.022 0.934 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.522 11.257 1.107 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.940 11.980 0.729 1.00 0.00 H new ATOM 626 N LEU A 48 2.436 9.348 1.625 1.00 0.00 N ATOM 627 CA LEU A 48 1.643 8.632 0.640 1.00 0.00 C ATOM 628 C LEU A 48 0.419 8.020 1.325 1.00 0.00 C ATOM 629 O LEU A 48 0.550 7.308 2.318 1.00 0.00 O ATOM 630 CB LEU A 48 2.507 7.610 -0.103 1.00 0.00 C ATOM 631 CG LEU A 48 1.884 6.990 -1.355 1.00 0.00 C ATOM 632 CD1 LEU A 48 2.952 6.329 -2.229 1.00 0.00 C ATOM 633 CD2 LEU A 48 0.763 6.018 -0.985 1.00 0.00 C ATOM 0 H LEU A 48 3.400 9.026 1.712 1.00 0.00 H new ATOM 0 HA LEU A 48 1.273 9.317 -0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.442 8.093 -0.387 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.760 6.807 0.589 1.00 0.00 H new ATOM 0 HG LEU A 48 1.435 7.789 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.482 5.896 -3.112 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.684 7.076 -2.536 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.451 5.544 -1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.337 5.591 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.165 5.219 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.013 6.550 -0.435 1.00 0.00 H new ATOM 644 N THR A 49 -0.744 8.321 0.764 1.00 0.00 N ATOM 645 CA THR A 49 -1.991 7.809 1.308 1.00 0.00 C ATOM 646 C THR A 49 -2.674 6.885 0.297 1.00 0.00 C ATOM 647 O THR A 49 -2.499 7.043 -0.910 1.00 0.00 O ATOM 648 CB THR A 49 -2.853 9.004 1.718 1.00 0.00 C ATOM 649 OG1 THR A 49 -3.025 9.740 0.510 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.110 9.972 2.641 1.00 0.00 C ATOM 0 H THR A 49 -0.849 8.912 -0.061 1.00 0.00 H new ATOM 0 HA THR A 49 -1.816 7.197 2.193 1.00 0.00 H new ATOM 0 HB THR A 49 -3.755 8.647 2.216 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.575 10.532 0.685 1.00 0.00 H new ATOM 0 HG21 THR A 49 -2.766 10.802 2.902 1.00 0.00 H new ATOM 0 HG22 THR A 49 -1.807 9.449 3.548 1.00 0.00 H new ATOM 0 HG23 THR A 49 -1.226 10.355 2.131 1.00 0.00 H new ATOM 658 N LEU A 50 -3.436 5.942 0.828 1.00 0.00 N ATOM 659 CA LEU A 50 -4.147 4.993 -0.012 1.00 0.00 C ATOM 660 C LEU A 50 -5.358 5.683 -0.642 1.00 0.00 C ATOM 661 O LEU A 50 -6.208 6.222 0.064 1.00 0.00 O ATOM 662 CB LEU A 50 -4.501 3.734 0.782 1.00 0.00 C ATOM 663 CG LEU A 50 -4.894 2.507 -0.044 1.00 0.00 C ATOM 664 CD1 LEU A 50 -5.796 2.901 -1.215 1.00 0.00 C ATOM 665 CD2 LEU A 50 -3.655 1.740 -0.509 1.00 0.00 C ATOM 0 H LEU A 50 -3.577 5.814 1.830 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.510 4.657 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.647 3.469 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.324 3.973 1.455 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.469 1.835 0.594 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.061 2.011 -1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.703 3.371 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.268 3.603 -1.861 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.962 0.873 -1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -3.034 2.391 -1.124 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.085 1.409 0.359 1.00 0.00 H new ATOM 676 N SER A 51 -5.398 5.644 -1.966 1.00 0.00 N ATOM 677 CA SER A 51 -6.491 6.259 -2.700 1.00 0.00 C ATOM 678 C SER A 51 -7.686 5.305 -2.756 1.00 0.00 C ATOM 679 O SER A 51 -8.812 5.696 -2.450 1.00 0.00 O ATOM 680 CB SER A 51 -6.055 6.647 -4.115 1.00 0.00 C ATOM 681 OG SER A 51 -6.366 8.004 -4.416 1.00 0.00 O ATOM 0 H SER A 51 -4.691 5.196 -2.549 1.00 0.00 H new ATOM 0 HA SER A 51 -6.785 7.169 -2.177 1.00 0.00 H new ATOM 0 HB2 SER A 51 -4.982 6.489 -4.220 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.545 5.994 -4.837 1.00 0.00 H new ATOM 0 HG SER A 51 -6.071 8.213 -5.327 1.00 0.00 H new ATOM 686 N HIS A 52 -7.401 4.072 -3.148 1.00 0.00 N ATOM 687 CA HIS A 52 -8.439 3.060 -3.248 1.00 0.00 C ATOM 688 C HIS A 52 -7.801 1.698 -3.530 1.00 0.00 C ATOM 689 O HIS A 52 -6.593 1.607 -3.745 1.00 0.00 O ATOM 690 CB HIS A 52 -9.483 3.453 -4.294 1.00 0.00 C ATOM 691 CG HIS A 52 -8.946 3.520 -5.703 1.00 0.00 C ATOM 692 ND1 HIS A 52 -9.012 2.453 -6.583 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.335 4.536 -6.377 1.00 0.00 C ATOM 694 CE1 HIS A 52 -8.462 2.822 -7.729 1.00 0.00 C ATOM 695 NE2 HIS A 52 -8.042 4.113 -7.601 1.00 0.00 N ATOM 0 H HIS A 52 -6.466 3.751 -3.400 1.00 0.00 H new ATOM 0 HA HIS A 52 -8.971 2.985 -2.300 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.302 2.735 -4.262 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -9.900 4.424 -4.029 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.416 1.538 -6.382 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.125 5.519 -5.982 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.363 2.208 -8.612 1.00 0.00 H new ATOM 703 N PHE A 53 -8.641 0.674 -3.519 1.00 0.00 N ATOM 704 CA PHE A 53 -8.175 -0.679 -3.771 1.00 0.00 C ATOM 705 C PHE A 53 -8.385 -1.068 -5.236 1.00 0.00 C ATOM 706 O PHE A 53 -9.139 -0.413 -5.954 1.00 0.00 O ATOM 707 CB PHE A 53 -9.005 -1.611 -2.885 1.00 0.00 C ATOM 708 CG PHE A 53 -8.391 -1.869 -1.507 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.784 -0.856 -0.833 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.453 -3.110 -0.957 1.00 0.00 C ATOM 711 CE1 PHE A 53 -7.215 -1.095 0.446 1.00 0.00 C ATOM 712 CE2 PHE A 53 -7.884 -3.350 0.321 1.00 0.00 C ATOM 713 CZ PHE A 53 -7.276 -2.338 0.996 1.00 0.00 C ATOM 0 H PHE A 53 -9.642 0.754 -3.339 1.00 0.00 H new ATOM 0 HA PHE A 53 -7.110 -0.751 -3.553 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.998 -1.182 -2.754 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -9.134 -2.564 -3.398 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -7.735 0.130 -1.270 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -8.936 -3.914 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -6.734 -0.290 0.982 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -7.934 -4.337 0.758 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.842 -2.521 1.968 1.00 0.00 H new ATOM 722 N GLY A 54 -7.704 -2.132 -5.636 1.00 0.00 N ATOM 723 CA GLY A 54 -7.806 -2.615 -7.003 1.00 0.00 C ATOM 724 C GLY A 54 -7.017 -1.720 -7.962 1.00 0.00 C ATOM 725 O GLY A 54 -6.839 -0.531 -7.702 1.00 0.00 O ATOM 0 H GLY A 54 -7.080 -2.673 -5.038 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.430 -3.636 -7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.853 -2.644 -7.305 1.00 0.00 H new ATOM 729 N LYS A 55 -6.566 -2.326 -9.050 1.00 0.00 N ATOM 730 CA LYS A 55 -5.800 -1.598 -10.048 1.00 0.00 C ATOM 731 C LYS A 55 -6.416 -0.212 -10.247 1.00 0.00 C ATOM 732 O LYS A 55 -7.636 -0.076 -10.325 1.00 0.00 O ATOM 733 CB LYS A 55 -5.693 -2.413 -11.339 1.00 0.00 C ATOM 734 CG LYS A 55 -4.589 -3.468 -11.231 1.00 0.00 C ATOM 735 CD LYS A 55 -3.313 -2.999 -11.934 1.00 0.00 C ATOM 736 CE LYS A 55 -2.940 -3.941 -13.079 1.00 0.00 C ATOM 737 NZ LYS A 55 -1.768 -4.766 -12.711 1.00 0.00 N ATOM 0 H LYS A 55 -6.716 -3.312 -9.263 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.776 -1.446 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.646 -2.899 -11.547 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.485 -1.748 -12.177 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.377 -3.671 -10.181 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -4.930 -4.404 -11.674 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.456 -1.990 -12.321 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.494 -2.952 -11.216 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.786 -4.586 -13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -2.718 -3.363 -13.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.528 -5.400 -13.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.958 -4.147 -12.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.993 -5.332 -11.868 1.00 0.00 H new ATOM 747 N CYS A 56 -5.543 0.783 -10.321 1.00 0.00 N ATOM 748 CA CYS A 56 -5.986 2.154 -10.507 1.00 0.00 C ATOM 749 C CYS A 56 -7.087 2.163 -11.570 1.00 0.00 C ATOM 750 O CYS A 56 -7.034 1.398 -12.530 1.00 0.00 O ATOM 751 CB CYS A 56 -4.824 3.076 -10.882 1.00 0.00 C ATOM 752 SG CYS A 56 -4.341 4.269 -9.580 1.00 0.00 S ATOM 0 H CYS A 56 -4.532 0.666 -10.255 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.385 2.541 -9.569 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -3.958 2.463 -11.133 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.094 3.630 -11.781 1.00 0.00 H new TER 756 CYS A 56