USER MOD reduce.3.24.130724 H: found=0, std=0, add=419, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 420 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 44 GLN : amide:sc= -0.291 K(o=-0.29,f=-2.4!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.33) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.05 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 150:sc= -0.363 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -40:sc= -0.063! USER MOD Single : A 52 SER OG : rot 77:sc= 0.636 USER MOD Single : A 59 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.22) USER MOD Single : A 60 THR OG1 : rot 114:sc= 1 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 11 -10.607 -11.188 -5.875 1.00 0.00 N ATOM 2 CA GLN A 11 -9.421 -11.855 -5.275 1.00 0.00 C ATOM 3 C GLN A 11 -9.366 -11.629 -3.768 1.00 0.00 C ATOM 4 O GLN A 11 -9.499 -10.500 -3.293 1.00 0.00 O ATOM 5 CB GLN A 11 -8.160 -11.297 -5.942 1.00 0.00 C ATOM 6 CG GLN A 11 -7.483 -12.283 -6.879 1.00 0.00 C ATOM 7 CD GLN A 11 -5.972 -12.248 -6.767 1.00 0.00 C ATOM 8 OE1 GLN A 11 -5.370 -11.181 -6.655 1.00 0.00 O ATOM 9 NE2 GLN A 11 -5.348 -13.420 -6.799 1.00 0.00 N ATOM 0 HA GLN A 11 -9.490 -12.930 -5.442 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -8.421 -10.398 -6.500 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -7.452 -10.998 -5.169 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -7.837 -13.290 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -7.773 -12.061 -7.906 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -5.886 -14.282 -6.893 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -4.331 -13.458 -6.729 1.00 0.00 H new ATOM 18 N ALA A 12 -9.168 -12.709 -3.019 1.00 0.00 N ATOM 19 CA ALA A 12 -9.097 -12.628 -1.566 1.00 0.00 C ATOM 20 C ALA A 12 -7.762 -12.044 -1.114 1.00 0.00 C ATOM 21 O ALA A 12 -6.701 -12.587 -1.420 1.00 0.00 O ATOM 22 CB ALA A 12 -9.305 -14.004 -0.949 1.00 0.00 C ATOM 0 H ALA A 12 -9.054 -13.650 -3.395 1.00 0.00 H new ATOM 0 HA ALA A 12 -9.891 -11.964 -1.225 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -9.249 -13.928 0.137 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -10.284 -14.387 -1.236 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -8.531 -14.683 -1.305 1.00 0.00 H new ATOM 28 N CYS A 13 -7.823 -10.934 -0.385 1.00 0.00 N ATOM 29 CA CYS A 13 -6.616 -10.278 0.106 1.00 0.00 C ATOM 30 C CYS A 13 -6.601 -10.229 1.631 1.00 0.00 C ATOM 31 O CYS A 13 -7.616 -10.480 2.280 1.00 0.00 O ATOM 32 CB CYS A 13 -6.505 -8.860 -0.462 1.00 0.00 C ATOM 33 SG CYS A 13 -7.801 -7.718 0.119 1.00 0.00 S ATOM 0 H CYS A 13 -8.693 -10.471 -0.122 1.00 0.00 H new ATOM 0 HA CYS A 13 -5.759 -10.862 -0.230 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -5.530 -8.450 -0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -6.544 -8.913 -1.550 1.00 0.00 H new ATOM 38 N THR A 14 -5.443 -9.903 2.193 1.00 0.00 N ATOM 39 CA THR A 14 -5.293 -9.820 3.641 1.00 0.00 C ATOM 40 C THR A 14 -5.268 -8.366 4.102 1.00 0.00 C ATOM 41 O THR A 14 -4.358 -7.611 3.758 1.00 0.00 O ATOM 42 CB THR A 14 -4.013 -10.530 4.084 1.00 0.00 C ATOM 43 OG1 THR A 14 -3.790 -10.345 5.470 1.00 0.00 O ATOM 44 CG2 THR A 14 -2.778 -10.049 3.352 1.00 0.00 C ATOM 0 H THR A 14 -4.594 -9.692 1.668 1.00 0.00 H new ATOM 0 HA THR A 14 -6.150 -10.313 4.099 1.00 0.00 H new ATOM 0 HB THR A 14 -4.170 -11.582 3.847 1.00 0.00 H new ATOM 0 HG1 THR A 14 -2.967 -10.808 5.734 1.00 0.00 H new ATOM 0 HG21 THR A 14 -1.906 -10.593 3.714 1.00 0.00 H new ATOM 0 HG22 THR A 14 -2.897 -10.224 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 14 -2.641 -8.983 3.532 1.00 0.00 H new ATOM 52 N LEU A 15 -6.272 -7.982 4.882 1.00 0.00 N ATOM 53 CA LEU A 15 -6.366 -6.618 5.393 1.00 0.00 C ATOM 54 C LEU A 15 -5.137 -6.267 6.227 1.00 0.00 C ATOM 55 O LEU A 15 -4.407 -7.151 6.671 1.00 0.00 O ATOM 56 CB LEU A 15 -7.635 -6.453 6.237 1.00 0.00 C ATOM 57 CG LEU A 15 -7.992 -7.652 7.118 1.00 0.00 C ATOM 58 CD1 LEU A 15 -8.454 -7.189 8.492 1.00 0.00 C ATOM 59 CD2 LEU A 15 -9.064 -8.502 6.454 1.00 0.00 C ATOM 0 H LEU A 15 -7.033 -8.595 5.175 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.414 -5.938 4.542 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.517 -5.577 6.874 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.472 -6.251 5.569 1.00 0.00 H new ATOM 0 HG LEU A 15 -7.098 -8.262 7.244 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.703 -8.056 9.103 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.656 -6.623 8.973 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.334 -6.555 8.385 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.305 -9.350 7.095 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.959 -7.901 6.296 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.697 -8.866 5.494 1.00 0.00 H new ATOM 71 N PRO A 16 -4.890 -4.964 6.454 1.00 0.00 N ATOM 72 CA PRO A 16 -3.745 -4.503 7.243 1.00 0.00 C ATOM 73 C PRO A 16 -3.660 -5.200 8.598 1.00 0.00 C ATOM 74 O PRO A 16 -2.583 -5.307 9.185 1.00 0.00 O ATOM 75 CB PRO A 16 -4.000 -2.998 7.426 1.00 0.00 C ATOM 76 CG PRO A 16 -5.408 -2.770 6.981 1.00 0.00 C ATOM 77 CD PRO A 16 -5.701 -3.839 5.970 1.00 0.00 C ATOM 0 HA PRO A 16 -2.800 -4.723 6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -3.865 -2.702 8.466 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -3.301 -2.407 6.833 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -6.098 -2.830 7.823 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -5.523 -1.778 6.544 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -6.762 -4.088 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -5.414 -3.535 4.963 1.00 0.00 H new ATOM 85 N ASN A 17 -4.801 -5.676 9.086 1.00 0.00 N ATOM 86 CA ASN A 17 -4.856 -6.368 10.370 1.00 0.00 C ATOM 87 C ASN A 17 -4.565 -7.861 10.207 1.00 0.00 C ATOM 88 O ASN A 17 -4.377 -8.574 11.192 1.00 0.00 O ATOM 89 CB ASN A 17 -6.226 -6.167 11.022 1.00 0.00 C ATOM 90 CG ASN A 17 -6.131 -5.496 12.377 1.00 0.00 C ATOM 91 OD1 ASN A 17 -6.065 -6.164 13.409 1.00 0.00 O ATOM 92 ND2 ASN A 17 -6.125 -4.168 12.382 1.00 0.00 N ATOM 0 H ASN A 17 -5.701 -5.595 8.612 1.00 0.00 H new ATOM 0 HA ASN A 17 -4.088 -5.941 11.015 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -6.853 -5.564 10.365 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -6.718 -7.134 11.132 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -6.064 -3.662 13.265 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -6.181 -3.654 11.503 1.00 0.00 H new ATOM 99 N ASN A 18 -4.533 -8.327 8.959 1.00 0.00 N ATOM 100 CA ASN A 18 -4.266 -9.731 8.671 1.00 0.00 C ATOM 101 C ASN A 18 -5.360 -10.625 9.244 1.00 0.00 C ATOM 102 O ASN A 18 -5.222 -11.171 10.338 1.00 0.00 O ATOM 103 CB ASN A 18 -2.904 -10.144 9.235 1.00 0.00 C ATOM 104 CG ASN A 18 -1.773 -9.893 8.257 1.00 0.00 C ATOM 105 OD1 ASN A 18 -1.337 -10.801 7.550 1.00 0.00 O ATOM 106 ND2 ASN A 18 -1.295 -8.656 8.211 1.00 0.00 N ATOM 0 H ASN A 18 -4.689 -7.750 8.132 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.253 -9.854 7.588 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -2.713 -9.593 10.156 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -2.927 -11.202 9.495 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -0.535 -8.426 7.571 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -1.688 -7.935 8.816 1.00 0.00 H new ATOM 113 N ASP A 19 -6.448 -10.772 8.494 1.00 0.00 N ATOM 114 CA ASP A 19 -7.568 -11.602 8.924 1.00 0.00 C ATOM 115 C ASP A 19 -8.360 -12.116 7.725 1.00 0.00 C ATOM 116 O ASP A 19 -9.548 -12.417 7.839 1.00 0.00 O ATOM 117 CB ASP A 19 -8.486 -10.812 9.859 1.00 0.00 C ATOM 118 CG ASP A 19 -8.255 -11.149 11.318 1.00 0.00 C ATOM 119 OD1 ASP A 19 -7.247 -10.675 11.885 1.00 0.00 O ATOM 120 OD2 ASP A 19 -9.082 -11.886 11.896 1.00 0.00 O ATOM 0 H ASP A 19 -6.578 -10.327 7.585 1.00 0.00 H new ATOM 0 HA ASP A 19 -7.165 -12.460 9.462 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -8.324 -9.745 9.706 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.525 -11.017 9.602 1.00 0.00 H new ATOM 125 N LYS A 20 -7.695 -12.212 6.576 1.00 0.00 N ATOM 126 CA LYS A 20 -8.339 -12.689 5.356 1.00 0.00 C ATOM 127 C LYS A 20 -9.468 -11.754 4.933 1.00 0.00 C ATOM 128 O LYS A 20 -10.198 -11.227 5.773 1.00 0.00 O ATOM 129 CB LYS A 20 -8.884 -14.106 5.560 1.00 0.00 C ATOM 130 CG LYS A 20 -7.838 -15.093 6.054 1.00 0.00 C ATOM 131 CD LYS A 20 -8.307 -15.832 7.299 1.00 0.00 C ATOM 132 CE LYS A 20 -7.657 -15.273 8.555 1.00 0.00 C ATOM 133 NZ LYS A 20 -6.527 -16.124 9.021 1.00 0.00 N ATOM 0 H LYS A 20 -6.711 -11.966 6.465 1.00 0.00 H new ATOM 0 HA LYS A 20 -7.590 -12.706 4.564 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.706 -14.071 6.275 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.297 -14.467 4.618 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.615 -15.812 5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.911 -14.562 6.273 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.391 -15.754 7.383 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -8.070 -16.892 7.206 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -7.295 -14.264 8.358 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.403 -15.195 9.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.111 -15.709 9.879 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.877 -17.080 9.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -5.803 -16.178 8.276 1.00 0.00 H new ATOM 147 N GLY A 21 -9.606 -11.552 3.627 1.00 0.00 N ATOM 148 CA GLY A 21 -10.648 -10.680 3.119 1.00 0.00 C ATOM 149 C GLY A 21 -10.758 -10.720 1.608 1.00 0.00 C ATOM 150 O GLY A 21 -10.207 -11.611 0.961 1.00 0.00 O ATOM 0 H GLY A 21 -9.015 -11.976 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.604 -10.969 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -10.448 -9.657 3.438 1.00 0.00 H new ATOM 154 N THR A 22 -11.473 -9.752 1.045 1.00 0.00 N ATOM 155 CA THR A 22 -11.659 -9.672 -0.399 1.00 0.00 C ATOM 156 C THR A 22 -11.091 -8.367 -0.944 1.00 0.00 C ATOM 157 O THR A 22 -11.123 -7.339 -0.271 1.00 0.00 O ATOM 158 CB THR A 22 -13.143 -9.784 -0.752 1.00 0.00 C ATOM 159 OG1 THR A 22 -13.734 -10.887 -0.087 1.00 0.00 O ATOM 160 CG2 THR A 22 -13.396 -9.951 -2.234 1.00 0.00 C ATOM 0 H THR A 22 -11.935 -9.009 1.569 1.00 0.00 H new ATOM 0 HA THR A 22 -11.123 -10.503 -0.858 1.00 0.00 H new ATOM 0 HB THR A 22 -13.588 -8.843 -0.429 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.683 -10.941 -0.324 1.00 0.00 H new ATOM 0 HG21 THR A 22 -14.469 -10.024 -2.414 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.996 -9.091 -2.771 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.906 -10.859 -2.587 1.00 0.00 H new ATOM 168 N CYS A 23 -10.565 -8.413 -2.164 1.00 0.00 N ATOM 169 CA CYS A 23 -9.985 -7.229 -2.786 1.00 0.00 C ATOM 170 C CYS A 23 -10.728 -6.857 -4.066 1.00 0.00 C ATOM 171 O CYS A 23 -10.826 -7.657 -4.997 1.00 0.00 O ATOM 172 CB CYS A 23 -8.507 -7.464 -3.095 1.00 0.00 C ATOM 173 SG CYS A 23 -7.444 -6.016 -2.788 1.00 0.00 S ATOM 0 H CYS A 23 -10.529 -9.254 -2.739 1.00 0.00 H new ATOM 0 HA CYS A 23 -10.079 -6.402 -2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.149 -8.299 -2.492 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -8.408 -7.759 -4.139 1.00 0.00 H new ATOM 178 N LYS A 24 -11.250 -5.635 -4.101 1.00 0.00 N ATOM 179 CA LYS A 24 -11.984 -5.143 -5.259 1.00 0.00 C ATOM 180 C LYS A 24 -11.733 -3.653 -5.462 1.00 0.00 C ATOM 181 O LYS A 24 -11.164 -2.988 -4.597 1.00 0.00 O ATOM 182 CB LYS A 24 -13.482 -5.402 -5.089 1.00 0.00 C ATOM 183 CG LYS A 24 -14.039 -4.902 -3.765 1.00 0.00 C ATOM 184 CD LYS A 24 -15.559 -4.855 -3.783 1.00 0.00 C ATOM 185 CE LYS A 24 -16.161 -6.046 -3.053 1.00 0.00 C ATOM 186 NZ LYS A 24 -17.481 -6.435 -3.621 1.00 0.00 N ATOM 0 H LYS A 24 -11.177 -4.965 -3.335 1.00 0.00 H new ATOM 0 HA LYS A 24 -11.630 -5.679 -6.140 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -14.021 -4.921 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -13.669 -6.473 -5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -13.703 -5.554 -2.958 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -13.645 -3.907 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -15.901 -3.931 -3.318 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -15.912 -4.842 -4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -15.477 -6.892 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -16.277 -5.804 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -17.858 -7.250 -3.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -18.142 -5.636 -3.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -17.366 -6.691 -4.622 1.00 0.00 H new ATOM 200 N SER A 25 -12.160 -3.133 -6.607 1.00 0.00 N ATOM 201 CA SER A 25 -11.979 -1.718 -6.915 1.00 0.00 C ATOM 202 C SER A 25 -12.683 -0.845 -5.882 1.00 0.00 C ATOM 203 O SER A 25 -13.332 -1.351 -4.966 1.00 0.00 O ATOM 204 CB SER A 25 -12.514 -1.406 -8.314 1.00 0.00 C ATOM 205 OG SER A 25 -12.403 -0.023 -8.604 1.00 0.00 O ATOM 0 H SER A 25 -12.633 -3.668 -7.336 1.00 0.00 H new ATOM 0 HA SER A 25 -10.912 -1.498 -6.885 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.961 -1.982 -9.056 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.557 -1.713 -8.385 1.00 0.00 H new ATOM 0 HG SER A 25 -12.279 0.100 -9.568 1.00 0.00 H new ATOM 211 N LEU A 26 -12.551 0.468 -6.035 1.00 0.00 N ATOM 212 CA LEU A 26 -13.178 1.410 -5.113 1.00 0.00 C ATOM 213 C LEU A 26 -14.522 1.889 -5.655 1.00 0.00 C ATOM 214 O LEU A 26 -14.901 3.046 -5.466 1.00 0.00 O ATOM 215 CB LEU A 26 -12.256 2.607 -4.868 1.00 0.00 C ATOM 216 CG LEU A 26 -12.073 3.543 -6.066 1.00 0.00 C ATOM 217 CD1 LEU A 26 -12.666 4.914 -5.772 1.00 0.00 C ATOM 218 CD2 LEU A 26 -10.601 3.666 -6.431 1.00 0.00 C ATOM 0 H LEU A 26 -12.017 0.904 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 26 -13.351 0.895 -4.168 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -12.651 3.185 -4.032 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -11.277 2.236 -4.564 1.00 0.00 H new ATOM 0 HG LEU A 26 -12.603 3.115 -6.917 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -12.526 5.564 -6.636 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -13.731 4.813 -5.563 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -12.167 5.348 -4.906 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -10.492 4.335 -7.284 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -10.048 4.068 -5.582 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -10.207 2.683 -6.688 1.00 0.00 H new ATOM 230 N LEU A 27 -15.241 0.993 -6.324 1.00 0.00 N ATOM 231 CA LEU A 27 -16.544 1.325 -6.889 1.00 0.00 C ATOM 232 C LEU A 27 -17.574 0.255 -6.541 1.00 0.00 C ATOM 233 O LEU A 27 -18.458 -0.053 -7.340 1.00 0.00 O ATOM 234 CB LEU A 27 -16.441 1.472 -8.409 1.00 0.00 C ATOM 235 CG LEU A 27 -15.397 2.480 -8.893 1.00 0.00 C ATOM 236 CD1 LEU A 27 -14.717 1.980 -10.158 1.00 0.00 C ATOM 237 CD2 LEU A 27 -16.038 3.838 -9.132 1.00 0.00 C ATOM 0 H LEU A 27 -14.943 0.031 -6.488 1.00 0.00 H new ATOM 0 HA LEU A 27 -16.869 2.273 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -16.209 0.497 -8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -17.416 1.767 -8.797 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.639 2.589 -8.117 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -13.978 2.711 -10.487 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.223 1.030 -9.954 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -15.462 1.840 -10.941 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -15.281 4.542 -9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -16.817 3.745 -9.889 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.477 4.202 -8.203 1.00 0.00 H new ATOM 249 N GLN A 28 -17.452 -0.305 -5.343 1.00 0.00 N ATOM 250 CA GLN A 28 -18.373 -1.341 -4.886 1.00 0.00 C ATOM 251 C GLN A 28 -18.373 -1.431 -3.364 1.00 0.00 C ATOM 252 O GLN A 28 -19.427 -1.557 -2.740 1.00 0.00 O ATOM 253 CB GLN A 28 -17.989 -2.695 -5.488 1.00 0.00 C ATOM 254 CG GLN A 28 -18.157 -2.759 -6.998 1.00 0.00 C ATOM 255 CD GLN A 28 -18.233 -4.182 -7.514 1.00 0.00 C ATOM 256 OE1 GLN A 28 -17.437 -5.038 -7.130 1.00 0.00 O ATOM 257 NE2 GLN A 28 -19.196 -4.442 -8.392 1.00 0.00 N ATOM 0 H GLN A 28 -16.725 -0.060 -4.671 1.00 0.00 H new ATOM 0 HA GLN A 28 -19.377 -1.075 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -16.951 -2.914 -5.237 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -18.599 -3.473 -5.030 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -19.063 -2.224 -7.282 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -17.321 -2.247 -7.475 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -19.834 -3.702 -8.683 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -19.297 -5.382 -8.775 1.00 0.00 H new ATOM 266 N CYS A 29 -17.184 -1.364 -2.773 1.00 0.00 N ATOM 267 CA CYS A 29 -17.039 -1.434 -1.325 1.00 0.00 C ATOM 268 C CYS A 29 -17.923 -0.398 -0.636 1.00 0.00 C ATOM 269 O CYS A 29 -17.992 0.755 -1.062 1.00 0.00 O ATOM 270 CB CYS A 29 -15.578 -1.214 -0.938 1.00 0.00 C ATOM 271 SG CYS A 29 -14.562 -2.727 -0.973 1.00 0.00 S ATOM 0 H CYS A 29 -16.304 -1.261 -3.278 1.00 0.00 H new ATOM 0 HA CYS A 29 -17.355 -2.424 -0.996 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -15.141 -0.480 -1.615 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -15.539 -0.786 0.064 1.00 0.00 H new ATOM 276 N ASP A 30 -18.599 -0.817 0.430 1.00 0.00 N ATOM 277 CA ASP A 30 -19.479 0.078 1.174 1.00 0.00 C ATOM 278 C ASP A 30 -18.705 1.267 1.727 1.00 0.00 C ATOM 279 O ASP A 30 -19.165 2.406 1.660 1.00 0.00 O ATOM 280 CB ASP A 30 -20.165 -0.676 2.314 1.00 0.00 C ATOM 281 CG ASP A 30 -21.457 -1.338 1.876 1.00 0.00 C ATOM 282 OD1 ASP A 30 -21.398 -2.481 1.375 1.00 0.00 O ATOM 283 OD2 ASP A 30 -22.527 -0.715 2.035 1.00 0.00 O ATOM 0 H ASP A 30 -18.554 -1.768 0.797 1.00 0.00 H new ATOM 0 HA ASP A 30 -20.239 0.451 0.488 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.486 -1.434 2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.373 0.016 3.130 1.00 0.00 H new ATOM 288 N VAL A 31 -17.524 0.995 2.266 1.00 0.00 N ATOM 289 CA VAL A 31 -16.683 2.045 2.824 1.00 0.00 C ATOM 290 C VAL A 31 -16.161 2.954 1.720 1.00 0.00 C ATOM 291 O VAL A 31 -16.078 4.169 1.886 1.00 0.00 O ATOM 292 CB VAL A 31 -15.488 1.464 3.606 1.00 0.00 C ATOM 293 CG1 VAL A 31 -14.810 2.547 4.428 1.00 0.00 C ATOM 294 CG2 VAL A 31 -15.939 0.313 4.496 1.00 0.00 C ATOM 0 H VAL A 31 -17.127 0.057 2.329 1.00 0.00 H new ATOM 0 HA VAL A 31 -17.303 2.619 3.513 1.00 0.00 H new ATOM 0 HB VAL A 31 -14.764 1.077 2.889 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -13.969 2.118 4.973 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -14.449 3.334 3.766 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -15.524 2.967 5.136 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -15.082 -0.084 5.040 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -16.684 0.672 5.206 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -16.374 -0.474 3.880 1.00 0.00 H new ATOM 304 N ALA A 32 -15.816 2.355 0.589 1.00 0.00 N ATOM 305 CA ALA A 32 -15.312 3.111 -0.548 1.00 0.00 C ATOM 306 C ALA A 32 -16.388 4.038 -1.100 1.00 0.00 C ATOM 307 O ALA A 32 -16.101 5.153 -1.529 1.00 0.00 O ATOM 308 CB ALA A 32 -14.816 2.166 -1.632 1.00 0.00 C ATOM 0 H ALA A 32 -15.876 1.349 0.435 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.476 3.724 -0.210 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -14.442 2.745 -2.476 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.014 1.545 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -15.637 1.530 -1.964 1.00 0.00 H new ATOM 314 N SER A 33 -17.630 3.564 -1.086 1.00 0.00 N ATOM 315 CA SER A 33 -18.754 4.346 -1.588 1.00 0.00 C ATOM 316 C SER A 33 -19.000 5.581 -0.727 1.00 0.00 C ATOM 317 O SER A 33 -19.278 6.662 -1.243 1.00 0.00 O ATOM 318 CB SER A 33 -20.017 3.485 -1.637 1.00 0.00 C ATOM 319 OG SER A 33 -20.792 3.779 -2.786 1.00 0.00 O ATOM 0 H SER A 33 -17.883 2.641 -0.732 1.00 0.00 H new ATOM 0 HA SER A 33 -18.505 4.679 -2.596 1.00 0.00 H new ATOM 0 HB2 SER A 33 -19.742 2.430 -1.641 1.00 0.00 H new ATOM 0 HB3 SER A 33 -20.612 3.656 -0.740 1.00 0.00 H new ATOM 0 HG SER A 33 -21.593 3.214 -2.794 1.00 0.00 H new ATOM 325 N LYS A 34 -18.900 5.412 0.586 1.00 0.00 N ATOM 326 CA LYS A 34 -19.118 6.515 1.514 1.00 0.00 C ATOM 327 C LYS A 34 -18.056 7.597 1.335 1.00 0.00 C ATOM 328 O LYS A 34 -18.326 8.783 1.526 1.00 0.00 O ATOM 329 CB LYS A 34 -19.130 6.011 2.961 1.00 0.00 C ATOM 330 CG LYS A 34 -17.775 5.538 3.464 1.00 0.00 C ATOM 331 CD LYS A 34 -17.577 5.874 4.932 1.00 0.00 C ATOM 332 CE LYS A 34 -16.412 5.099 5.525 1.00 0.00 C ATOM 333 NZ LYS A 34 -15.670 5.899 6.539 1.00 0.00 N ATOM 0 H LYS A 34 -18.670 4.524 1.031 1.00 0.00 H new ATOM 0 HA LYS A 34 -20.091 6.953 1.293 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.488 6.810 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -19.843 5.190 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.689 4.461 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.985 6.002 2.874 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -17.398 6.944 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.488 5.645 5.485 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.782 4.183 5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.731 4.802 4.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.884 5.334 6.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.294 6.761 6.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -16.313 6.161 7.313 1.00 0.00 H new ATOM 347 N ILE A 35 -16.847 7.181 0.966 1.00 0.00 N ATOM 348 CA ILE A 35 -15.750 8.121 0.760 1.00 0.00 C ATOM 349 C ILE A 35 -15.976 8.962 -0.492 1.00 0.00 C ATOM 350 O ILE A 35 -15.662 10.152 -0.518 1.00 0.00 O ATOM 351 CB ILE A 35 -14.395 7.391 0.642 1.00 0.00 C ATOM 352 CG1 ILE A 35 -14.179 6.473 1.846 1.00 0.00 C ATOM 353 CG2 ILE A 35 -13.255 8.396 0.525 1.00 0.00 C ATOM 354 CD1 ILE A 35 -13.357 5.242 1.528 1.00 0.00 C ATOM 0 H ILE A 35 -16.603 6.204 0.804 1.00 0.00 H new ATOM 0 HA ILE A 35 -15.724 8.774 1.633 1.00 0.00 H new ATOM 0 HB ILE A 35 -14.408 6.781 -0.261 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.684 7.036 2.638 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -15.149 6.162 2.234 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -12.308 7.863 0.443 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -13.403 9.012 -0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -13.238 9.032 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.244 4.637 2.428 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -13.861 4.657 0.759 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.373 5.544 1.168 1.00 0.00 H new ATOM 366 N ILE A 36 -16.523 8.338 -1.529 1.00 0.00 N ATOM 367 CA ILE A 36 -16.794 9.030 -2.784 1.00 0.00 C ATOM 368 C ILE A 36 -17.868 10.097 -2.597 1.00 0.00 C ATOM 369 O ILE A 36 -17.825 11.153 -3.228 1.00 0.00 O ATOM 370 CB ILE A 36 -17.237 8.046 -3.887 1.00 0.00 C ATOM 371 CG1 ILE A 36 -16.152 6.991 -4.122 1.00 0.00 C ATOM 372 CG2 ILE A 36 -17.549 8.791 -5.179 1.00 0.00 C ATOM 373 CD1 ILE A 36 -14.905 7.537 -4.786 1.00 0.00 C ATOM 0 H ILE A 36 -16.788 7.353 -1.526 1.00 0.00 H new ATOM 0 HA ILE A 36 -15.864 9.507 -3.094 1.00 0.00 H new ATOM 0 HB ILE A 36 -18.146 7.543 -3.558 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -15.878 6.545 -3.166 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.562 6.192 -4.740 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -17.859 8.079 -5.944 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -18.352 9.506 -5.002 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -16.659 9.322 -5.517 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -14.182 6.732 -4.920 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -15.164 7.957 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.470 8.315 -4.159 1.00 0.00 H new ATOM 385 N SER A 37 -18.831 9.814 -1.729 1.00 0.00 N ATOM 386 CA SER A 37 -19.916 10.749 -1.459 1.00 0.00 C ATOM 387 C SER A 37 -19.462 11.859 -0.513 1.00 0.00 C ATOM 388 O SER A 37 -20.064 12.932 -0.468 1.00 0.00 O ATOM 389 CB SER A 37 -21.116 10.013 -0.859 1.00 0.00 C ATOM 390 OG SER A 37 -22.009 9.585 -1.872 1.00 0.00 O ATOM 0 H SER A 37 -18.883 8.944 -1.199 1.00 0.00 H new ATOM 0 HA SER A 37 -20.211 11.202 -2.405 1.00 0.00 H new ATOM 0 HB2 SER A 37 -20.770 9.152 -0.287 1.00 0.00 H new ATOM 0 HB3 SER A 37 -21.638 10.669 -0.163 1.00 0.00 H new ATOM 0 HG SER A 37 -22.766 9.116 -1.464 1.00 0.00 H new ATOM 396 N LYS A 38 -18.398 11.596 0.242 1.00 0.00 N ATOM 397 CA LYS A 38 -17.870 12.573 1.186 1.00 0.00 C ATOM 398 C LYS A 38 -16.838 13.477 0.523 1.00 0.00 C ATOM 399 O LYS A 38 -16.994 14.698 0.491 1.00 0.00 O ATOM 400 CB LYS A 38 -17.247 11.865 2.390 1.00 0.00 C ATOM 401 CG LYS A 38 -18.225 11.639 3.533 1.00 0.00 C ATOM 402 CD LYS A 38 -17.569 11.885 4.884 1.00 0.00 C ATOM 403 CE LYS A 38 -16.857 10.642 5.392 1.00 0.00 C ATOM 404 NZ LYS A 38 -16.427 10.789 6.810 1.00 0.00 N ATOM 0 H LYS A 38 -17.886 10.714 0.217 1.00 0.00 H new ATOM 0 HA LYS A 38 -18.700 13.193 1.525 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -16.847 10.903 2.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.406 12.455 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -19.082 12.303 3.417 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -18.605 10.618 3.492 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.856 12.705 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.325 12.193 5.606 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.520 9.781 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -15.986 10.442 4.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -15.946 9.920 7.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -15.775 11.595 6.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -17.260 10.955 7.410 1.00 0.00 H new ATOM 418 N LYS A 39 -15.781 12.869 -0.001 1.00 0.00 N ATOM 419 CA LYS A 39 -14.715 13.616 -0.662 1.00 0.00 C ATOM 420 C LYS A 39 -13.586 12.688 -1.092 1.00 0.00 C ATOM 421 O LYS A 39 -12.599 12.524 -0.374 1.00 0.00 O ATOM 422 CB LYS A 39 -14.160 14.698 0.263 1.00 0.00 C ATOM 423 CG LYS A 39 -13.970 14.236 1.701 1.00 0.00 C ATOM 424 CD LYS A 39 -12.501 14.222 2.094 1.00 0.00 C ATOM 425 CE LYS A 39 -12.308 14.656 3.539 1.00 0.00 C ATOM 426 NZ LYS A 39 -11.047 14.114 4.118 1.00 0.00 N ATOM 0 H LYS A 39 -15.638 11.859 0.018 1.00 0.00 H new ATOM 0 HA LYS A 39 -15.142 14.087 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.202 15.042 -0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.835 15.554 0.252 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.521 14.896 2.372 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.389 13.237 1.821 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -12.096 13.220 1.957 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -11.940 14.885 1.435 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -12.293 15.745 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -13.156 14.319 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -10.953 14.432 5.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.071 13.075 4.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -10.236 14.456 3.564 1.00 0.00 H new ATOM 440 N PRO A 40 -13.713 12.065 -2.273 1.00 0.00 N ATOM 441 CA PRO A 40 -12.700 11.154 -2.788 1.00 0.00 C ATOM 442 C PRO A 40 -11.547 11.889 -3.467 1.00 0.00 C ATOM 443 O PRO A 40 -11.356 11.781 -4.679 1.00 0.00 O ATOM 444 CB PRO A 40 -13.479 10.320 -3.800 1.00 0.00 C ATOM 445 CG PRO A 40 -14.530 11.244 -4.317 1.00 0.00 C ATOM 446 CD PRO A 40 -14.858 12.198 -3.195 1.00 0.00 C ATOM 0 HA PRO A 40 -12.228 10.568 -1.999 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.833 9.965 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -13.920 9.439 -3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -14.173 11.785 -5.193 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -15.416 10.689 -4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -14.963 13.221 -3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -15.797 11.935 -2.708 1.00 0.00 H new ATOM 454 N ARG A 41 -10.782 12.636 -2.679 1.00 0.00 N ATOM 455 CA ARG A 41 -9.648 13.388 -3.203 1.00 0.00 C ATOM 456 C ARG A 41 -8.901 14.102 -2.081 1.00 0.00 C ATOM 457 O ARG A 41 -9.149 15.278 -1.806 1.00 0.00 O ATOM 458 CB ARG A 41 -10.123 14.401 -4.250 1.00 0.00 C ATOM 459 CG ARG A 41 -9.371 14.313 -5.567 1.00 0.00 C ATOM 460 CD ARG A 41 -10.287 14.575 -6.751 1.00 0.00 C ATOM 461 NE ARG A 41 -9.632 15.380 -7.782 1.00 0.00 N ATOM 462 CZ ARG A 41 -8.768 14.888 -8.667 1.00 0.00 C ATOM 463 NH1 ARG A 41 -8.453 13.599 -8.652 1.00 0.00 N ATOM 464 NH2 ARG A 41 -8.219 15.688 -9.571 1.00 0.00 N ATOM 0 H ARG A 41 -10.927 12.737 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.962 12.684 -3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.186 14.246 -4.437 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -10.014 15.407 -3.845 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.555 15.036 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.922 13.325 -5.665 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.605 13.625 -7.180 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.186 15.087 -6.408 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.850 16.376 -7.825 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.874 12.979 -7.960 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -7.790 13.228 -9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.459 16.679 -9.588 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.557 15.312 -10.250 1.00 0.00 H new ATOM 478 N THR A 42 -7.988 13.387 -1.433 1.00 0.00 N ATOM 479 CA THR A 42 -7.206 13.952 -0.341 1.00 0.00 C ATOM 480 C THR A 42 -5.974 13.102 -0.057 1.00 0.00 C ATOM 481 O THR A 42 -5.980 11.889 -0.275 1.00 0.00 O ATOM 482 CB THR A 42 -8.062 14.068 0.922 1.00 0.00 C ATOM 483 OG1 THR A 42 -9.399 14.402 0.594 1.00 0.00 O ATOM 484 CG2 THR A 42 -7.555 15.110 1.895 1.00 0.00 C ATOM 0 H THR A 42 -7.771 12.413 -1.646 1.00 0.00 H new ATOM 0 HA THR A 42 -6.877 14.947 -0.641 1.00 0.00 H new ATOM 0 HB THR A 42 -8.005 13.090 1.399 1.00 0.00 H new ATOM 0 HG1 THR A 42 -9.403 15.068 -0.125 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.207 15.141 2.768 1.00 0.00 H new ATOM 0 HG22 THR A 42 -6.543 14.854 2.207 1.00 0.00 H new ATOM 0 HG23 THR A 42 -7.550 16.087 1.412 1.00 0.00 H new ATOM 492 N ALA A 43 -4.916 13.743 0.429 1.00 0.00 N ATOM 493 CA ALA A 43 -3.675 13.045 0.745 1.00 0.00 C ATOM 494 C ALA A 43 -3.915 11.924 1.750 1.00 0.00 C ATOM 495 O ALA A 43 -3.248 10.891 1.714 1.00 0.00 O ATOM 496 CB ALA A 43 -2.639 14.025 1.279 1.00 0.00 C ATOM 0 H ALA A 43 -4.893 14.746 0.613 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.295 12.597 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.718 13.490 1.511 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.437 14.787 0.526 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.020 14.500 2.183 1.00 0.00 H new ATOM 502 N GLN A 44 -4.871 12.137 2.646 1.00 0.00 N ATOM 503 CA GLN A 44 -5.200 11.145 3.662 1.00 0.00 C ATOM 504 C GLN A 44 -5.911 9.947 3.039 1.00 0.00 C ATOM 505 O GLN A 44 -5.778 8.819 3.513 1.00 0.00 O ATOM 506 CB GLN A 44 -6.079 11.767 4.749 1.00 0.00 C ATOM 507 CG GLN A 44 -5.762 11.262 6.149 1.00 0.00 C ATOM 508 CD GLN A 44 -5.010 12.282 6.979 1.00 0.00 C ATOM 509 OE1 GLN A 44 -4.631 13.344 6.487 1.00 0.00 O ATOM 510 NE2 GLN A 44 -4.790 11.964 8.250 1.00 0.00 N ATOM 0 H GLN A 44 -5.432 12.988 2.690 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.270 10.800 4.113 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -5.959 12.850 4.726 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -7.125 11.557 4.524 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.691 11.000 6.656 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -5.170 10.350 6.077 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.122 11.072 8.617 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -4.289 12.612 8.858 1.00 0.00 H new ATOM 519 N ASP A 45 -6.667 10.201 1.977 1.00 0.00 N ATOM 520 CA ASP A 45 -7.397 9.145 1.289 1.00 0.00 C ATOM 521 C ASP A 45 -6.441 8.215 0.548 1.00 0.00 C ATOM 522 O ASP A 45 -6.668 7.009 0.468 1.00 0.00 O ATOM 523 CB ASP A 45 -8.408 9.748 0.311 1.00 0.00 C ATOM 524 CG ASP A 45 -9.777 9.106 0.427 1.00 0.00 C ATOM 525 OD1 ASP A 45 -9.889 7.892 0.156 1.00 0.00 O ATOM 526 OD2 ASP A 45 -10.737 9.818 0.788 1.00 0.00 O ATOM 0 H ASP A 45 -6.790 11.130 1.574 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.933 8.561 2.037 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -8.495 10.819 0.496 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -8.039 9.630 -0.708 1.00 0.00 H new ATOM 531 N GLU A 46 -5.374 8.788 0.002 1.00 0.00 N ATOM 532 CA GLU A 46 -4.383 8.012 -0.738 1.00 0.00 C ATOM 533 C GLU A 46 -3.632 7.063 0.184 1.00 0.00 C ATOM 534 O GLU A 46 -3.374 5.911 -0.169 1.00 0.00 O ATOM 535 CB GLU A 46 -3.399 8.943 -1.447 1.00 0.00 C ATOM 536 CG GLU A 46 -2.813 8.353 -2.719 1.00 0.00 C ATOM 537 CD GLU A 46 -1.508 7.619 -2.475 1.00 0.00 C ATOM 538 OE1 GLU A 46 -0.513 8.284 -2.114 1.00 0.00 O ATOM 539 OE2 GLU A 46 -1.480 6.383 -2.645 1.00 0.00 O ATOM 0 H GLU A 46 -5.172 9.786 0.057 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.910 7.418 -1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -3.906 9.877 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.587 9.189 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.534 7.666 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.647 9.151 -3.442 1.00 0.00 H new ATOM 546 N LYS A 47 -3.283 7.548 1.367 1.00 0.00 N ATOM 547 CA LYS A 47 -2.564 6.737 2.338 1.00 0.00 C ATOM 548 C LYS A 47 -3.451 5.617 2.866 1.00 0.00 C ATOM 549 O LYS A 47 -2.988 4.503 3.110 1.00 0.00 O ATOM 550 CB LYS A 47 -2.061 7.601 3.496 1.00 0.00 C ATOM 551 CG LYS A 47 -3.162 8.374 4.200 1.00 0.00 C ATOM 552 CD LYS A 47 -2.640 9.086 5.439 1.00 0.00 C ATOM 553 CE LYS A 47 -2.784 8.223 6.681 1.00 0.00 C ATOM 554 NZ LYS A 47 -3.427 8.965 7.802 1.00 0.00 N ATOM 0 H LYS A 47 -3.486 8.498 1.677 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.704 6.292 1.836 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.555 6.963 4.221 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.319 8.304 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.591 9.104 3.514 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.964 7.692 4.482 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.591 9.346 5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.184 10.020 5.579 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.377 7.340 6.443 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.801 7.872 6.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.252 8.463 8.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.027 9.923 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.452 9.027 7.635 1.00 0.00 H new ATOM 568 N PHE A 48 -4.729 5.920 3.046 1.00 0.00 N ATOM 569 CA PHE A 48 -5.674 4.934 3.545 1.00 0.00 C ATOM 570 C PHE A 48 -5.938 3.858 2.503 1.00 0.00 C ATOM 571 O PHE A 48 -6.001 2.672 2.827 1.00 0.00 O ATOM 572 CB PHE A 48 -6.986 5.606 3.954 1.00 0.00 C ATOM 573 CG PHE A 48 -7.988 4.654 4.541 1.00 0.00 C ATOM 574 CD1 PHE A 48 -7.722 3.988 5.726 1.00 0.00 C ATOM 575 CD2 PHE A 48 -9.200 4.425 3.907 1.00 0.00 C ATOM 576 CE1 PHE A 48 -8.641 3.110 6.267 1.00 0.00 C ATOM 577 CE2 PHE A 48 -10.124 3.549 4.444 1.00 0.00 C ATOM 578 CZ PHE A 48 -9.844 2.891 5.626 1.00 0.00 C ATOM 0 H PHE A 48 -5.133 6.837 2.855 1.00 0.00 H new ATOM 0 HA PHE A 48 -5.234 4.461 4.423 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -6.773 6.390 4.680 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -7.424 6.090 3.082 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.784 4.157 6.234 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -9.424 4.937 2.983 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.419 2.596 7.190 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -11.064 3.379 3.940 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.565 2.206 6.048 1.00 0.00 H new ATOM 588 N LEU A 49 -6.087 4.270 1.249 1.00 0.00 N ATOM 589 CA LEU A 49 -6.336 3.322 0.175 1.00 0.00 C ATOM 590 C LEU A 49 -5.077 2.521 -0.135 1.00 0.00 C ATOM 591 O LEU A 49 -5.142 1.314 -0.371 1.00 0.00 O ATOM 592 CB LEU A 49 -6.838 4.035 -1.084 1.00 0.00 C ATOM 593 CG LEU A 49 -5.912 5.116 -1.643 1.00 0.00 C ATOM 594 CD1 LEU A 49 -4.797 4.494 -2.473 1.00 0.00 C ATOM 595 CD2 LEU A 49 -6.709 6.113 -2.475 1.00 0.00 C ATOM 0 H LEU A 49 -6.040 5.246 0.955 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.114 2.635 0.508 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.006 3.289 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.804 4.488 -0.863 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.456 5.647 -0.808 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.150 5.281 -2.861 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -4.212 3.818 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.229 3.937 -3.304 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.039 6.878 -2.867 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.191 5.593 -3.303 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -7.469 6.583 -1.851 1.00 0.00 H new ATOM 607 N ARG A 50 -3.930 3.194 -0.121 1.00 0.00 N ATOM 608 CA ARG A 50 -2.663 2.528 -0.391 1.00 0.00 C ATOM 609 C ARG A 50 -2.317 1.557 0.734 1.00 0.00 C ATOM 610 O ARG A 50 -1.723 0.505 0.500 1.00 0.00 O ATOM 611 CB ARG A 50 -1.538 3.552 -0.589 1.00 0.00 C ATOM 612 CG ARG A 50 -1.061 4.209 0.696 1.00 0.00 C ATOM 613 CD ARG A 50 -0.046 3.344 1.428 1.00 0.00 C ATOM 614 NE ARG A 50 1.150 4.095 1.798 1.00 0.00 N ATOM 615 CZ ARG A 50 2.147 4.365 0.957 1.00 0.00 C ATOM 616 NH1 ARG A 50 2.093 3.948 -0.302 1.00 0.00 N ATOM 617 NH2 ARG A 50 3.199 5.053 1.378 1.00 0.00 N ATOM 0 H ARG A 50 -3.853 4.192 0.073 1.00 0.00 H new ATOM 0 HA ARG A 50 -2.768 1.959 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.692 3.058 -1.067 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -1.883 4.327 -1.274 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.616 5.177 0.466 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.915 4.398 1.347 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -0.505 2.928 2.325 1.00 0.00 H new ATOM 0 HD3 ARG A 50 0.236 2.503 0.795 1.00 0.00 H new ATOM 0 HE ARG A 50 1.227 4.433 2.757 1.00 0.00 H new ATOM 0 HH11 ARG A 50 1.285 3.418 -0.630 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.859 4.157 -0.942 1.00 0.00 H new ATOM 0 HH21 ARG A 50 3.244 5.375 2.345 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.963 5.260 0.735 1.00 0.00 H new ATOM 631 N GLU A 51 -2.694 1.921 1.959 1.00 0.00 N ATOM 632 CA GLU A 51 -2.426 1.082 3.121 1.00 0.00 C ATOM 633 C GLU A 51 -3.336 -0.141 3.129 1.00 0.00 C ATOM 634 O GLU A 51 -2.924 -1.232 3.524 1.00 0.00 O ATOM 635 CB GLU A 51 -2.615 1.884 4.410 1.00 0.00 C ATOM 636 CG GLU A 51 -2.317 1.087 5.671 1.00 0.00 C ATOM 637 CD GLU A 51 -0.831 0.963 5.944 1.00 0.00 C ATOM 638 OE1 GLU A 51 -0.165 0.164 5.253 1.00 0.00 O ATOM 639 OE2 GLU A 51 -0.334 1.666 6.850 1.00 0.00 O ATOM 0 H GLU A 51 -3.185 2.790 2.170 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.392 0.742 3.063 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.967 2.760 4.382 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.641 2.248 4.454 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.800 1.566 6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.750 0.091 5.578 1.00 0.00 H new ATOM 646 N SER A 52 -4.576 0.052 2.695 1.00 0.00 N ATOM 647 CA SER A 52 -5.550 -1.034 2.653 1.00 0.00 C ATOM 648 C SER A 52 -5.736 -1.543 1.226 1.00 0.00 C ATOM 649 O SER A 52 -6.851 -1.846 0.805 1.00 0.00 O ATOM 650 CB SER A 52 -6.892 -0.566 3.219 1.00 0.00 C ATOM 651 OG SER A 52 -6.705 0.291 4.333 1.00 0.00 O ATOM 0 H SER A 52 -4.931 0.950 2.367 1.00 0.00 H new ATOM 0 HA SER A 52 -5.171 -1.852 3.265 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.454 -0.044 2.445 1.00 0.00 H new ATOM 0 HB3 SER A 52 -7.486 -1.430 3.517 1.00 0.00 H new ATOM 0 HG SER A 52 -6.434 1.179 4.020 1.00 0.00 H new ATOM 657 N ALA A 53 -4.635 -1.636 0.489 1.00 0.00 N ATOM 658 CA ALA A 53 -4.674 -2.109 -0.889 1.00 0.00 C ATOM 659 C ALA A 53 -3.813 -3.356 -1.063 1.00 0.00 C ATOM 660 O ALA A 53 -2.748 -3.475 -0.458 1.00 0.00 O ATOM 661 CB ALA A 53 -4.214 -1.012 -1.838 1.00 0.00 C ATOM 0 H ALA A 53 -3.703 -1.390 0.824 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.704 -2.372 -1.129 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.248 -1.380 -2.863 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.871 -0.148 -1.740 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.193 -0.722 -1.591 1.00 0.00 H new ATOM 667 N CYS A 54 -4.282 -4.284 -1.892 1.00 0.00 N ATOM 668 CA CYS A 54 -3.553 -5.524 -2.140 1.00 0.00 C ATOM 669 C CYS A 54 -2.677 -5.410 -3.385 1.00 0.00 C ATOM 670 O CYS A 54 -2.429 -6.400 -4.072 1.00 0.00 O ATOM 671 CB CYS A 54 -4.528 -6.691 -2.300 1.00 0.00 C ATOM 672 SG CYS A 54 -5.691 -6.503 -3.688 1.00 0.00 S ATOM 0 H CYS A 54 -5.161 -4.201 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.908 -5.708 -1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.958 -7.610 -2.439 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -5.096 -6.805 -1.377 1.00 0.00 H new ATOM 677 N GLY A 55 -2.207 -4.200 -3.670 1.00 0.00 N ATOM 678 CA GLY A 55 -1.363 -3.988 -4.832 1.00 0.00 C ATOM 679 C GLY A 55 -2.030 -4.412 -6.124 1.00 0.00 C ATOM 680 O GLY A 55 -3.228 -4.198 -6.313 1.00 0.00 O ATOM 0 H GLY A 55 -2.395 -3.363 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -1.096 -2.933 -4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -0.434 -4.545 -4.708 1.00 0.00 H new ATOM 684 N PHE A 56 -1.249 -5.015 -7.013 1.00 0.00 N ATOM 685 CA PHE A 56 -1.761 -5.475 -8.300 1.00 0.00 C ATOM 686 C PHE A 56 -2.255 -4.303 -9.141 1.00 0.00 C ATOM 687 O PHE A 56 -2.387 -3.184 -8.647 1.00 0.00 O ATOM 688 CB PHE A 56 -2.893 -6.486 -8.095 1.00 0.00 C ATOM 689 CG PHE A 56 -2.410 -7.885 -7.838 1.00 0.00 C ATOM 690 CD1 PHE A 56 -1.760 -8.201 -6.654 1.00 0.00 C ATOM 691 CD2 PHE A 56 -2.603 -8.882 -8.779 1.00 0.00 C ATOM 692 CE1 PHE A 56 -1.314 -9.486 -6.414 1.00 0.00 C ATOM 693 CE2 PHE A 56 -2.159 -10.170 -8.544 1.00 0.00 C ATOM 694 CZ PHE A 56 -1.514 -10.473 -7.360 1.00 0.00 C ATOM 0 H PHE A 56 -0.256 -5.197 -6.866 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.944 -5.961 -8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.510 -6.163 -7.256 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -3.532 -6.488 -8.978 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.601 -7.433 -5.911 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -3.106 -8.651 -9.707 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.810 -9.719 -5.488 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.316 -10.939 -9.286 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.167 -11.479 -7.175 1.00 0.00 H new ATOM 704 N ASP A 57 -2.525 -4.570 -10.416 1.00 0.00 N ATOM 705 CA ASP A 57 -3.004 -3.540 -11.332 1.00 0.00 C ATOM 706 C ASP A 57 -1.938 -2.468 -11.553 1.00 0.00 C ATOM 707 O ASP A 57 -1.273 -2.447 -12.587 1.00 0.00 O ATOM 708 CB ASP A 57 -4.288 -2.901 -10.796 1.00 0.00 C ATOM 709 CG ASP A 57 -5.536 -3.509 -11.408 1.00 0.00 C ATOM 710 OD1 ASP A 57 -5.848 -4.674 -11.084 1.00 0.00 O ATOM 711 OD2 ASP A 57 -6.200 -2.820 -12.210 1.00 0.00 O ATOM 0 H ASP A 57 -2.420 -5.492 -10.838 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.219 -4.015 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.324 -3.018 -9.713 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.271 -1.831 -11.001 1.00 0.00 H new ATOM 716 N GLY A 58 -1.785 -1.583 -10.573 1.00 0.00 N ATOM 717 CA GLY A 58 -0.799 -0.525 -10.682 1.00 0.00 C ATOM 718 C GLY A 58 -1.373 0.743 -11.285 1.00 0.00 C ATOM 719 O GLY A 58 -1.200 1.832 -10.738 1.00 0.00 O ATOM 0 H GLY A 58 -2.325 -1.580 -9.708 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.397 -0.304 -9.693 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.034 -0.870 -11.295 1.00 0.00 H new ATOM 723 N GLN A 59 -2.060 0.600 -12.413 1.00 0.00 N ATOM 724 CA GLN A 59 -2.661 1.741 -13.092 1.00 0.00 C ATOM 725 C GLN A 59 -4.037 2.054 -12.510 1.00 0.00 C ATOM 726 O GLN A 59 -4.439 3.216 -12.428 1.00 0.00 O ATOM 727 CB GLN A 59 -2.774 1.470 -14.594 1.00 0.00 C ATOM 728 CG GLN A 59 -2.078 2.513 -15.454 1.00 0.00 C ATOM 729 CD GLN A 59 -0.614 2.678 -15.096 1.00 0.00 C ATOM 730 OE1 GLN A 59 0.193 1.770 -15.298 1.00 0.00 O ATOM 731 NE2 GLN A 59 -0.263 3.842 -14.563 1.00 0.00 N ATOM 0 H GLN A 59 -2.214 -0.295 -12.876 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.016 2.606 -12.938 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -2.349 0.490 -14.811 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.828 1.429 -14.869 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -2.162 2.229 -16.503 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -2.586 3.470 -15.341 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -0.965 4.567 -14.413 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.709 4.012 -14.303 1.00 0.00 H new ATOM 740 N THR A 60 -4.756 1.011 -12.109 1.00 0.00 N ATOM 741 CA THR A 60 -6.086 1.175 -11.534 1.00 0.00 C ATOM 742 C THR A 60 -6.037 1.061 -10.011 1.00 0.00 C ATOM 743 O THR A 60 -5.294 0.244 -9.466 1.00 0.00 O ATOM 744 CB THR A 60 -7.044 0.127 -12.107 1.00 0.00 C ATOM 745 OG1 THR A 60 -6.569 -0.360 -13.348 1.00 0.00 O ATOM 746 CG2 THR A 60 -8.446 0.653 -12.324 1.00 0.00 C ATOM 0 H THR A 60 -4.440 0.043 -12.172 1.00 0.00 H new ATOM 0 HA THR A 60 -6.449 2.169 -11.794 1.00 0.00 H new ATOM 0 HB THR A 60 -7.084 -0.667 -11.361 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.330 -1.306 -13.258 1.00 0.00 H new ATOM 0 HG21 THR A 60 -9.073 -0.140 -12.731 1.00 0.00 H new ATOM 0 HG22 THR A 60 -8.859 0.990 -11.373 1.00 0.00 H new ATOM 0 HG23 THR A 60 -8.417 1.488 -13.024 1.00 0.00 H new ATOM 754 N PRO A 61 -6.832 1.881 -9.299 1.00 0.00 N ATOM 755 CA PRO A 61 -6.872 1.864 -7.835 1.00 0.00 C ATOM 756 C PRO A 61 -7.604 0.643 -7.288 1.00 0.00 C ATOM 757 O PRO A 61 -8.626 0.226 -7.832 1.00 0.00 O ATOM 758 CB PRO A 61 -7.633 3.143 -7.490 1.00 0.00 C ATOM 759 CG PRO A 61 -8.514 3.384 -8.666 1.00 0.00 C ATOM 760 CD PRO A 61 -7.752 2.888 -9.866 1.00 0.00 C ATOM 0 HA PRO A 61 -5.874 1.813 -7.399 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -8.215 3.024 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -6.952 3.978 -7.327 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.461 2.854 -8.559 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -8.751 4.443 -8.765 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.417 2.450 -10.611 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.209 3.695 -10.358 1.00 0.00 H new ATOM 768 N LYS A 62 -7.074 0.076 -6.209 1.00 0.00 N ATOM 769 CA LYS A 62 -7.680 -1.096 -5.588 1.00 0.00 C ATOM 770 C LYS A 62 -7.668 -0.975 -4.068 1.00 0.00 C ATOM 771 O LYS A 62 -6.836 -0.268 -3.498 1.00 0.00 O ATOM 772 CB LYS A 62 -6.942 -2.367 -6.017 1.00 0.00 C ATOM 773 CG LYS A 62 -7.374 -2.890 -7.377 1.00 0.00 C ATOM 774 CD LYS A 62 -7.420 -4.410 -7.401 1.00 0.00 C ATOM 775 CE LYS A 62 -8.609 -4.920 -8.199 1.00 0.00 C ATOM 776 NZ LYS A 62 -8.369 -6.284 -8.743 1.00 0.00 N ATOM 0 H LYS A 62 -6.227 0.409 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.716 -1.157 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -5.871 -2.166 -6.037 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.107 -3.143 -5.269 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.358 -2.491 -7.626 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -6.683 -2.534 -8.141 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.497 -4.796 -7.834 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.476 -4.789 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.494 -4.934 -7.563 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.817 -4.233 -9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -9.203 -6.595 -9.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.540 -6.267 -9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.196 -6.945 -7.959 1.00 0.00 H new ATOM 790 N VAL A 63 -8.599 -1.665 -3.417 1.00 0.00 N ATOM 791 CA VAL A 63 -8.697 -1.634 -1.963 1.00 0.00 C ATOM 792 C VAL A 63 -9.114 -2.992 -1.410 1.00 0.00 C ATOM 793 O VAL A 63 -9.687 -3.815 -2.124 1.00 0.00 O ATOM 794 CB VAL A 63 -9.706 -0.569 -1.494 1.00 0.00 C ATOM 795 CG1 VAL A 63 -9.663 -0.419 0.019 1.00 0.00 C ATOM 796 CG2 VAL A 63 -9.434 0.762 -2.177 1.00 0.00 C ATOM 0 H VAL A 63 -9.296 -2.253 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 63 -7.707 -1.380 -1.584 1.00 0.00 H new ATOM 0 HB VAL A 63 -10.707 -0.897 -1.774 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -10.383 0.338 0.330 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.913 -1.371 0.486 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.662 -0.116 0.326 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.157 1.502 -1.833 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.426 1.098 -1.932 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.523 0.642 -3.257 1.00 0.00 H new ATOM 806 N CYS A 64 -8.822 -3.221 -0.133 1.00 0.00 N ATOM 807 CA CYS A 64 -9.167 -4.480 0.515 1.00 0.00 C ATOM 808 C CYS A 64 -10.424 -4.331 1.365 1.00 0.00 C ATOM 809 O CYS A 64 -10.543 -3.401 2.164 1.00 0.00 O ATOM 810 CB CYS A 64 -8.005 -4.965 1.387 1.00 0.00 C ATOM 811 SG CYS A 64 -6.792 -6.000 0.505 1.00 0.00 S ATOM 0 H CYS A 64 -8.348 -2.551 0.472 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.362 -5.217 -0.264 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.492 -4.098 1.804 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.407 -5.532 2.227 1.00 0.00 H new ATOM 816 N CYS A 65 -11.360 -5.258 1.189 1.00 0.00 N ATOM 817 CA CYS A 65 -12.612 -5.242 1.935 1.00 0.00 C ATOM 818 C CYS A 65 -12.869 -6.601 2.584 1.00 0.00 C ATOM 819 O CYS A 65 -13.051 -7.601 1.890 1.00 0.00 O ATOM 820 CB CYS A 65 -13.774 -4.882 1.007 1.00 0.00 C ATOM 821 SG CYS A 65 -14.189 -3.108 0.986 1.00 0.00 S ATOM 0 H CYS A 65 -11.274 -6.034 0.532 1.00 0.00 H new ATOM 0 HA CYS A 65 -12.534 -4.489 2.720 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -13.527 -5.198 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -14.656 -5.447 1.311 1.00 0.00 H new ATOM 826 N PRO A 66 -12.890 -6.663 3.929 1.00 0.00 N ATOM 827 CA PRO A 66 -13.127 -7.915 4.656 1.00 0.00 C ATOM 828 C PRO A 66 -14.362 -8.654 4.149 1.00 0.00 C ATOM 829 O PRO A 66 -15.167 -8.099 3.401 1.00 0.00 O ATOM 830 CB PRO A 66 -13.333 -7.452 6.099 1.00 0.00 C ATOM 831 CG PRO A 66 -12.577 -6.174 6.196 1.00 0.00 C ATOM 832 CD PRO A 66 -12.684 -5.523 4.845 1.00 0.00 C ATOM 0 HA PRO A 66 -12.305 -8.621 4.534 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -14.390 -7.305 6.321 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -12.958 -8.189 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -12.994 -5.532 6.972 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -11.535 -6.356 6.459 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.515 -4.819 4.803 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -11.781 -4.965 4.595 1.00 0.00 H new TER 840 PRO A 66