USER MOD reduce.3.24.130724 H: found=0, std=0, add=388, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 388 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 15 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0.105 K(o=0.11,f=-1) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= -0.0591 USER MOD Single : A 25 CYS SG : rot 7:sc= -0.187 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.547 USER MOD Single : A 33 LYS NZ :NH3+ 158:sc= 0.0323 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 90:sc= 0.411 USER MOD Single : A 50 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.29) USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot -70:sc= 1.13 USER MOD Single : A 59 HIS : no HD1:sc= -0.373 X(o=-0.37,f=-0.031) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 11 5.071 3.160 12.043 1.00 0.00 N ATOM 2 CA ASP A 11 5.360 4.375 11.230 1.00 0.00 C ATOM 3 C ASP A 11 4.673 4.254 9.868 1.00 0.00 C ATOM 4 O ASP A 11 3.994 5.157 9.424 1.00 0.00 O ATOM 5 CB ASP A 11 6.871 4.508 11.028 1.00 0.00 C ATOM 6 CG ASP A 11 7.166 5.757 10.198 1.00 0.00 C ATOM 7 OD1 ASP A 11 6.810 5.768 9.032 1.00 0.00 O ATOM 8 OD2 ASP A 11 7.745 6.684 10.743 1.00 0.00 O ATOM 0 HA ASP A 11 4.984 5.256 11.750 1.00 0.00 H new ATOM 0 HB2 ASP A 11 7.373 4.573 11.993 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.261 3.623 10.524 1.00 0.00 H new ATOM 13 N LEU A 12 4.846 3.145 9.200 1.00 0.00 N ATOM 14 CA LEU A 12 4.208 2.966 7.866 1.00 0.00 C ATOM 15 C LEU A 12 2.752 2.504 8.057 1.00 0.00 C ATOM 16 O LEU A 12 2.444 1.824 9.015 1.00 0.00 O ATOM 17 CB LEU A 12 4.984 1.898 7.089 1.00 0.00 C ATOM 18 CG LEU A 12 6.468 2.277 7.016 1.00 0.00 C ATOM 19 CD1 LEU A 12 7.224 1.196 6.237 1.00 0.00 C ATOM 20 CD2 LEU A 12 6.631 3.634 6.311 1.00 0.00 C ATOM 0 H LEU A 12 5.403 2.354 9.523 1.00 0.00 H new ATOM 0 HA LEU A 12 4.220 3.907 7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 12 4.871 0.929 7.575 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.575 1.799 6.083 1.00 0.00 H new ATOM 0 HG LEU A 12 6.872 2.354 8.025 1.00 0.00 H new ATOM 0 HD11 LEU A 12 8.280 1.459 6.181 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.115 0.238 6.745 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.815 1.121 5.229 1.00 0.00 H new ATOM 0 HD21 LEU A 12 7.688 3.895 6.264 1.00 0.00 H new ATOM 0 HD22 LEU A 12 6.228 3.570 5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 12 6.093 4.401 6.868 1.00 0.00 H new ATOM 32 N PRO A 13 1.856 2.861 7.158 1.00 0.00 N ATOM 33 CA PRO A 13 0.419 2.455 7.262 1.00 0.00 C ATOM 34 C PRO A 13 0.252 0.926 7.234 1.00 0.00 C ATOM 35 O PRO A 13 1.146 0.204 6.838 1.00 0.00 O ATOM 36 CB PRO A 13 -0.247 3.112 6.033 1.00 0.00 C ATOM 37 CG PRO A 13 0.876 3.405 5.086 1.00 0.00 C ATOM 38 CD PRO A 13 2.098 3.682 5.957 1.00 0.00 C ATOM 0 HA PRO A 13 -0.029 2.772 8.204 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.980 2.445 5.579 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.775 4.024 6.312 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.055 2.561 4.420 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.642 4.264 4.457 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.022 3.396 5.455 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.183 4.740 6.204 1.00 0.00 H new ATOM 46 N PRO A 14 -0.887 0.440 7.660 1.00 0.00 N ATOM 47 CA PRO A 14 -1.183 -1.026 7.695 1.00 0.00 C ATOM 48 C PRO A 14 -1.327 -1.635 6.292 1.00 0.00 C ATOM 49 O PRO A 14 -1.420 -0.935 5.303 1.00 0.00 O ATOM 50 CB PRO A 14 -2.508 -1.108 8.469 1.00 0.00 C ATOM 51 CG PRO A 14 -3.160 0.212 8.236 1.00 0.00 C ATOM 52 CD PRO A 14 -2.025 1.232 8.157 1.00 0.00 C ATOM 0 HA PRO A 14 -0.374 -1.592 8.157 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -3.129 -1.927 8.106 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -2.337 -1.284 9.531 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -3.742 0.203 7.314 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -3.849 0.456 9.045 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -2.269 2.052 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -1.813 1.673 9.131 1.00 0.00 H new ATOM 60 N ASN A 15 -1.351 -2.938 6.211 1.00 0.00 N ATOM 61 CA ASN A 15 -1.496 -3.617 4.891 1.00 0.00 C ATOM 62 C ASN A 15 -0.519 -3.020 3.877 1.00 0.00 C ATOM 63 O ASN A 15 -0.715 -3.129 2.683 1.00 0.00 O ATOM 64 CB ASN A 15 -2.928 -3.449 4.382 1.00 0.00 C ATOM 65 CG ASN A 15 -3.903 -3.984 5.432 1.00 0.00 C ATOM 66 OD1 ASN A 15 -3.778 -5.107 5.878 1.00 0.00 O ATOM 67 ND2 ASN A 15 -4.876 -3.222 5.850 1.00 0.00 N ATOM 0 H ASN A 15 -1.276 -3.567 7.011 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.274 -4.677 5.014 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -3.134 -2.398 4.180 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -3.057 -3.985 3.442 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -5.531 -3.569 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -4.982 -2.279 5.476 1.00 0.00 H new ATOM 74 N LEU A 16 0.543 -2.404 4.338 1.00 0.00 N ATOM 75 CA LEU A 16 1.549 -1.815 3.395 1.00 0.00 C ATOM 76 C LEU A 16 2.953 -2.157 3.883 1.00 0.00 C ATOM 77 O LEU A 16 3.202 -2.252 5.069 1.00 0.00 O ATOM 78 CB LEU A 16 1.381 -0.289 3.322 1.00 0.00 C ATOM 79 CG LEU A 16 2.514 0.333 2.451 1.00 0.00 C ATOM 80 CD1 LEU A 16 1.952 1.454 1.564 1.00 0.00 C ATOM 81 CD2 LEU A 16 3.626 0.912 3.350 1.00 0.00 C ATOM 0 H LEU A 16 0.758 -2.283 5.328 1.00 0.00 H new ATOM 0 HA LEU A 16 1.394 -2.230 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.408 -0.042 2.897 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.408 0.136 4.325 1.00 0.00 H new ATOM 0 HG LEU A 16 2.929 -0.454 1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.755 1.879 0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.182 1.048 0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.519 2.233 2.192 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.410 1.343 2.727 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.208 1.686 3.994 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.047 0.117 3.965 1.00 0.00 H new ATOM 93 N TYR A 17 3.871 -2.360 2.972 1.00 0.00 N ATOM 94 CA TYR A 17 5.268 -2.716 3.367 1.00 0.00 C ATOM 95 C TYR A 17 6.270 -1.945 2.520 1.00 0.00 C ATOM 96 O TYR A 17 5.915 -1.081 1.742 1.00 0.00 O ATOM 97 CB TYR A 17 5.478 -4.208 3.136 1.00 0.00 C ATOM 98 CG TYR A 17 4.434 -4.971 3.903 1.00 0.00 C ATOM 99 CD1 TYR A 17 3.119 -5.021 3.430 1.00 0.00 C ATOM 100 CD2 TYR A 17 4.778 -5.617 5.090 1.00 0.00 C ATOM 101 CE1 TYR A 17 2.144 -5.723 4.145 1.00 0.00 C ATOM 102 CE2 TYR A 17 3.806 -6.323 5.810 1.00 0.00 C ATOM 103 CZ TYR A 17 2.487 -6.376 5.338 1.00 0.00 C ATOM 104 OH TYR A 17 1.527 -7.070 6.046 1.00 0.00 O ATOM 0 H TYR A 17 3.712 -2.294 1.967 1.00 0.00 H new ATOM 0 HA TYR A 17 5.417 -2.463 4.417 1.00 0.00 H new ATOM 0 HB2 TYR A 17 5.408 -4.438 2.073 1.00 0.00 H new ATOM 0 HB3 TYR A 17 6.476 -4.503 3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.856 -4.517 2.512 1.00 0.00 H new ATOM 0 HD2 TYR A 17 5.794 -5.573 5.454 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.129 -5.762 3.779 1.00 0.00 H new ATOM 0 HE2 TYR A 17 4.072 -6.826 6.728 1.00 0.00 H new ATOM 0 HH TYR A 17 1.932 -7.464 6.847 1.00 0.00 H new ATOM 114 N ILE A 18 7.527 -2.270 2.662 1.00 0.00 N ATOM 115 CA ILE A 18 8.589 -1.582 1.861 1.00 0.00 C ATOM 116 C ILE A 18 9.616 -2.621 1.399 1.00 0.00 C ATOM 117 O ILE A 18 9.821 -3.632 2.041 1.00 0.00 O ATOM 118 CB ILE A 18 9.258 -0.493 2.722 1.00 0.00 C ATOM 119 CG1 ILE A 18 10.038 0.487 1.824 1.00 0.00 C ATOM 120 CG2 ILE A 18 10.220 -1.133 3.731 1.00 0.00 C ATOM 121 CD1 ILE A 18 10.284 1.793 2.585 1.00 0.00 C ATOM 0 H ILE A 18 7.869 -2.987 3.302 1.00 0.00 H new ATOM 0 HA ILE A 18 8.151 -1.105 0.984 1.00 0.00 H new ATOM 0 HB ILE A 18 8.481 0.050 3.260 1.00 0.00 H new ATOM 0 HG12 ILE A 18 10.988 0.044 1.524 1.00 0.00 H new ATOM 0 HG13 ILE A 18 9.476 0.686 0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 18 10.687 -0.354 4.334 1.00 0.00 H new ATOM 0 HG22 ILE A 18 9.667 -1.812 4.380 1.00 0.00 H new ATOM 0 HG23 ILE A 18 10.991 -1.689 3.197 1.00 0.00 H new ATOM 0 HD11 ILE A 18 10.836 2.486 1.950 1.00 0.00 H new ATOM 0 HD12 ILE A 18 9.328 2.238 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 18 10.863 1.586 3.485 1.00 0.00 H new ATOM 133 N ARG A 19 10.247 -2.389 0.281 1.00 0.00 N ATOM 134 CA ARG A 19 11.246 -3.373 -0.242 1.00 0.00 C ATOM 135 C ARG A 19 12.644 -3.026 0.281 1.00 0.00 C ATOM 136 O ARG A 19 12.886 -1.936 0.761 1.00 0.00 O ATOM 137 CB ARG A 19 11.230 -3.313 -1.779 1.00 0.00 C ATOM 138 CG ARG A 19 11.690 -4.650 -2.371 1.00 0.00 C ATOM 139 CD ARG A 19 11.739 -4.542 -3.899 1.00 0.00 C ATOM 140 NE ARG A 19 10.567 -3.759 -4.384 1.00 0.00 N ATOM 141 CZ ARG A 19 10.558 -3.279 -5.597 1.00 0.00 C ATOM 142 NH1 ARG A 19 11.577 -3.487 -6.387 1.00 0.00 N ATOM 143 NH2 ARG A 19 9.535 -2.590 -6.019 1.00 0.00 N ATOM 0 H ARG A 19 10.116 -1.559 -0.297 1.00 0.00 H new ATOM 0 HA ARG A 19 10.991 -4.378 0.094 1.00 0.00 H new ATOM 0 HB2 ARG A 19 10.225 -3.079 -2.130 1.00 0.00 H new ATOM 0 HB3 ARG A 19 11.882 -2.511 -2.125 1.00 0.00 H new ATOM 0 HG2 ARG A 19 12.674 -4.913 -1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 19 11.007 -5.446 -2.074 1.00 0.00 H new ATOM 0 HD2 ARG A 19 12.665 -4.059 -4.210 1.00 0.00 H new ATOM 0 HD3 ARG A 19 11.734 -5.537 -4.344 1.00 0.00 H new ATOM 0 HE ARG A 19 9.771 -3.598 -3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 19 12.378 -4.024 -6.055 1.00 0.00 H new ATOM 0 HH12 ARG A 19 11.572 -3.112 -7.336 1.00 0.00 H new ATOM 0 HH21 ARG A 19 8.741 -2.426 -5.401 1.00 0.00 H new ATOM 0 HH22 ARG A 19 9.529 -2.215 -6.968 1.00 0.00 H new ATOM 157 N ASN A 20 13.569 -3.944 0.186 1.00 0.00 N ATOM 158 CA ASN A 20 14.949 -3.664 0.670 1.00 0.00 C ATOM 159 C ASN A 20 15.576 -2.584 -0.209 1.00 0.00 C ATOM 160 O ASN A 20 16.560 -1.966 0.151 1.00 0.00 O ATOM 161 CB ASN A 20 15.791 -4.939 0.592 1.00 0.00 C ATOM 162 CG ASN A 20 15.021 -6.103 1.217 1.00 0.00 C ATOM 163 OD1 ASN A 20 14.243 -6.759 0.552 1.00 0.00 O ATOM 164 ND2 ASN A 20 15.206 -6.390 2.478 1.00 0.00 N ATOM 0 H ASN A 20 13.427 -4.875 -0.206 1.00 0.00 H new ATOM 0 HA ASN A 20 14.912 -3.322 1.704 1.00 0.00 H new ATOM 0 HB2 ASN A 20 16.031 -5.165 -0.447 1.00 0.00 H new ATOM 0 HB3 ASN A 20 16.737 -4.794 1.114 1.00 0.00 H new ATOM 0 HD21 ASN A 20 14.698 -7.165 2.905 1.00 0.00 H new ATOM 0 HD22 ASN A 20 15.859 -5.840 3.036 1.00 0.00 H new ATOM 171 N ASN A 21 15.009 -2.348 -1.362 1.00 0.00 N ATOM 172 CA ASN A 21 15.556 -1.305 -2.271 1.00 0.00 C ATOM 173 C ASN A 21 14.895 0.032 -1.940 1.00 0.00 C ATOM 174 O ASN A 21 15.180 1.047 -2.544 1.00 0.00 O ATOM 175 CB ASN A 21 15.237 -1.687 -3.715 1.00 0.00 C ATOM 176 CG ASN A 21 15.961 -2.987 -4.072 1.00 0.00 C ATOM 177 OD1 ASN A 21 16.953 -3.332 -3.462 1.00 0.00 O ATOM 178 ND2 ASN A 21 15.502 -3.728 -5.044 1.00 0.00 N ATOM 0 H ASN A 21 14.186 -2.837 -1.713 1.00 0.00 H new ATOM 0 HA ASN A 21 16.636 -1.224 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.161 -1.811 -3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.546 -0.889 -4.390 1.00 0.00 H new ATOM 0 HD21 ASN A 21 15.976 -4.596 -5.291 1.00 0.00 H new ATOM 0 HD22 ASN A 21 14.669 -3.438 -5.556 1.00 0.00 H new ATOM 185 N GLY A 22 14.016 0.035 -0.973 1.00 0.00 N ATOM 186 CA GLY A 22 13.327 1.300 -0.582 1.00 0.00 C ATOM 187 C GLY A 22 12.080 1.500 -1.445 1.00 0.00 C ATOM 188 O GLY A 22 11.512 2.573 -1.488 1.00 0.00 O ATOM 0 H GLY A 22 13.744 -0.788 -0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 22 13.049 1.263 0.471 1.00 0.00 H new ATOM 0 HA3 GLY A 22 14.004 2.146 -0.703 1.00 0.00 H new ATOM 192 N TYR A 23 11.642 0.476 -2.129 1.00 0.00 N ATOM 193 CA TYR A 23 10.422 0.611 -2.985 1.00 0.00 C ATOM 194 C TYR A 23 9.183 0.329 -2.124 1.00 0.00 C ATOM 195 O TYR A 23 9.147 -0.616 -1.363 1.00 0.00 O ATOM 196 CB TYR A 23 10.505 -0.402 -4.152 1.00 0.00 C ATOM 197 CG TYR A 23 10.976 0.288 -5.415 1.00 0.00 C ATOM 198 CD1 TYR A 23 10.044 0.880 -6.275 1.00 0.00 C ATOM 199 CD2 TYR A 23 12.342 0.335 -5.721 1.00 0.00 C ATOM 200 CE1 TYR A 23 10.477 1.519 -7.443 1.00 0.00 C ATOM 201 CE2 TYR A 23 12.775 0.974 -6.889 1.00 0.00 C ATOM 202 CZ TYR A 23 11.842 1.566 -7.750 1.00 0.00 C ATOM 203 OH TYR A 23 12.269 2.198 -8.900 1.00 0.00 O ATOM 0 H TYR A 23 12.074 -0.448 -2.133 1.00 0.00 H new ATOM 0 HA TYR A 23 10.355 1.618 -3.396 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.190 -1.209 -3.894 1.00 0.00 H new ATOM 0 HB3 TYR A 23 9.528 -0.855 -4.320 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.991 0.844 -6.038 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.061 -0.121 -5.056 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.758 1.976 -8.107 1.00 0.00 H new ATOM 0 HE2 TYR A 23 13.828 1.011 -7.126 1.00 0.00 H new ATOM 0 HH TYR A 23 13.245 2.140 -8.962 1.00 0.00 H new ATOM 213 N TYR A 24 8.169 1.144 -2.236 1.00 0.00 N ATOM 214 CA TYR A 24 6.940 0.923 -1.419 1.00 0.00 C ATOM 215 C TYR A 24 6.038 -0.100 -2.112 1.00 0.00 C ATOM 216 O TYR A 24 6.099 -0.290 -3.310 1.00 0.00 O ATOM 217 CB TYR A 24 6.187 2.254 -1.267 1.00 0.00 C ATOM 218 CG TYR A 24 6.766 3.037 -0.111 1.00 0.00 C ATOM 219 CD1 TYR A 24 8.071 3.534 -0.194 1.00 0.00 C ATOM 220 CD2 TYR A 24 6.001 3.263 1.039 1.00 0.00 C ATOM 221 CE1 TYR A 24 8.611 4.260 0.872 1.00 0.00 C ATOM 222 CE2 TYR A 24 6.542 3.989 2.107 1.00 0.00 C ATOM 223 CZ TYR A 24 7.847 4.489 2.021 1.00 0.00 C ATOM 224 OH TYR A 24 8.380 5.205 3.072 1.00 0.00 O ATOM 0 H TYR A 24 8.138 1.953 -2.857 1.00 0.00 H new ATOM 0 HA TYR A 24 7.219 0.546 -0.435 1.00 0.00 H new ATOM 0 HB2 TYR A 24 6.264 2.834 -2.187 1.00 0.00 H new ATOM 0 HB3 TYR A 24 5.127 2.066 -1.097 1.00 0.00 H new ATOM 0 HD1 TYR A 24 8.661 3.357 -1.081 1.00 0.00 H new ATOM 0 HD2 TYR A 24 4.994 2.878 1.103 1.00 0.00 H new ATOM 0 HE1 TYR A 24 9.618 4.644 0.808 1.00 0.00 H new ATOM 0 HE2 TYR A 24 5.954 4.163 2.996 1.00 0.00 H new ATOM 0 HH TYR A 24 7.717 5.273 3.791 1.00 0.00 H new ATOM 234 N CYS A 25 5.197 -0.756 -1.359 1.00 0.00 N ATOM 235 CA CYS A 25 4.282 -1.770 -1.963 1.00 0.00 C ATOM 236 C CYS A 25 3.053 -1.951 -1.069 1.00 0.00 C ATOM 237 O CYS A 25 3.167 -2.068 0.136 1.00 0.00 O ATOM 238 CB CYS A 25 5.015 -3.106 -2.092 1.00 0.00 C ATOM 239 SG CYS A 25 6.289 -2.979 -3.371 1.00 0.00 S ATOM 0 H CYS A 25 5.103 -0.634 -0.351 1.00 0.00 H new ATOM 0 HA CYS A 25 3.967 -1.429 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.468 -3.377 -1.139 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.309 -3.897 -2.345 1.00 0.00 H new ATOM 0 HG CYS A 25 6.383 -1.745 -3.768 1.00 0.00 H new ATOM 245 N TYR A 26 1.876 -1.992 -1.646 1.00 0.00 N ATOM 246 CA TYR A 26 0.640 -2.181 -0.823 1.00 0.00 C ATOM 247 C TYR A 26 0.199 -3.640 -0.900 1.00 0.00 C ATOM 248 O TYR A 26 0.280 -4.264 -1.937 1.00 0.00 O ATOM 249 CB TYR A 26 -0.487 -1.303 -1.359 1.00 0.00 C ATOM 250 CG TYR A 26 -1.647 -1.359 -0.400 1.00 0.00 C ATOM 251 CD1 TYR A 26 -1.677 -0.504 0.707 1.00 0.00 C ATOM 252 CD2 TYR A 26 -2.688 -2.271 -0.609 1.00 0.00 C ATOM 253 CE1 TYR A 26 -2.748 -0.560 1.607 1.00 0.00 C ATOM 254 CE2 TYR A 26 -3.760 -2.325 0.289 1.00 0.00 C ATOM 255 CZ TYR A 26 -3.790 -1.471 1.397 1.00 0.00 C ATOM 256 OH TYR A 26 -4.847 -1.526 2.283 1.00 0.00 O ATOM 0 H TYR A 26 1.718 -1.903 -2.650 1.00 0.00 H new ATOM 0 HA TYR A 26 0.859 -1.905 0.209 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.142 -0.275 -1.474 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.797 -1.648 -2.346 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.874 0.200 0.867 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -2.664 -2.932 -1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.770 0.099 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.565 -3.027 0.127 1.00 0.00 H new ATOM 0 HH TYR A 26 -5.484 -2.211 1.990 1.00 0.00 H new ATOM 266 N ARG A 27 -0.270 -4.188 0.194 1.00 0.00 N ATOM 267 CA ARG A 27 -0.724 -5.617 0.200 1.00 0.00 C ATOM 268 C ARG A 27 -2.253 -5.672 0.275 1.00 0.00 C ATOM 269 O ARG A 27 -2.850 -5.285 1.259 1.00 0.00 O ATOM 270 CB ARG A 27 -0.123 -6.315 1.417 1.00 0.00 C ATOM 271 CG ARG A 27 -0.236 -7.832 1.257 1.00 0.00 C ATOM 272 CD ARG A 27 0.087 -8.514 2.590 1.00 0.00 C ATOM 273 NE ARG A 27 0.424 -9.942 2.345 1.00 0.00 N ATOM 274 CZ ARG A 27 1.007 -10.646 3.277 1.00 0.00 C ATOM 275 NH1 ARG A 27 1.295 -10.094 4.424 1.00 0.00 N ATOM 276 NH2 ARG A 27 1.304 -11.898 3.064 1.00 0.00 N ATOM 0 H ARG A 27 -0.359 -3.706 1.088 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.397 -6.115 -0.713 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.923 -6.030 1.531 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.641 -5.997 2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.242 -8.100 0.934 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.450 -8.179 0.484 1.00 0.00 H new ATOM 0 HD2 ARG A 27 0.922 -8.010 3.076 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -0.766 -8.441 3.265 1.00 0.00 H new ATOM 0 HE ARG A 27 0.199 -10.372 1.448 1.00 0.00 H new ATOM 0 HH11 ARG A 27 1.065 -9.114 4.591 1.00 0.00 H new ATOM 0 HH12 ARG A 27 1.751 -10.642 5.154 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.081 -12.330 2.167 1.00 0.00 H new ATOM 0 HH22 ARG A 27 1.760 -12.445 3.794 1.00 0.00 H new ATOM 290 N ASP A 28 -2.887 -6.149 -0.762 1.00 0.00 N ATOM 291 CA ASP A 28 -4.376 -6.230 -0.759 1.00 0.00 C ATOM 292 C ASP A 28 -4.833 -7.343 0.207 1.00 0.00 C ATOM 293 O ASP A 28 -4.308 -8.438 0.166 1.00 0.00 O ATOM 294 CB ASP A 28 -4.857 -6.565 -2.171 1.00 0.00 C ATOM 295 CG ASP A 28 -4.253 -5.573 -3.167 1.00 0.00 C ATOM 296 OD1 ASP A 28 -3.047 -5.394 -3.137 1.00 0.00 O ATOM 297 OD2 ASP A 28 -5.008 -5.010 -3.944 1.00 0.00 O ATOM 0 H ASP A 28 -2.437 -6.487 -1.613 1.00 0.00 H new ATOM 0 HA ASP A 28 -4.793 -5.276 -0.437 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -4.566 -7.582 -2.433 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.945 -6.523 -2.215 1.00 0.00 H new ATOM 302 N PRO A 29 -5.803 -7.089 1.068 1.00 0.00 N ATOM 303 CA PRO A 29 -6.304 -8.118 2.030 1.00 0.00 C ATOM 304 C PRO A 29 -7.313 -9.079 1.385 1.00 0.00 C ATOM 305 O PRO A 29 -7.752 -10.032 1.999 1.00 0.00 O ATOM 306 CB PRO A 29 -6.989 -7.273 3.105 1.00 0.00 C ATOM 307 CG PRO A 29 -7.544 -6.111 2.350 1.00 0.00 C ATOM 308 CD PRO A 29 -6.529 -5.810 1.238 1.00 0.00 C ATOM 0 HA PRO A 29 -5.504 -8.757 2.405 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.775 -7.832 3.612 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -6.283 -6.951 3.870 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -8.523 -6.348 1.932 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -7.676 -5.248 3.003 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -7.024 -5.505 0.316 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -5.855 -5.001 1.520 1.00 0.00 H new ATOM 316 N ARG A 30 -7.690 -8.832 0.159 1.00 0.00 N ATOM 317 CA ARG A 30 -8.679 -9.727 -0.515 1.00 0.00 C ATOM 318 C ARG A 30 -7.943 -10.874 -1.212 1.00 0.00 C ATOM 319 O ARG A 30 -8.405 -11.999 -1.224 1.00 0.00 O ATOM 320 CB ARG A 30 -9.466 -8.919 -1.551 1.00 0.00 C ATOM 321 CG ARG A 30 -8.530 -8.477 -2.679 1.00 0.00 C ATOM 322 CD ARG A 30 -9.176 -7.335 -3.467 1.00 0.00 C ATOM 323 NE ARG A 30 -9.442 -6.188 -2.554 1.00 0.00 N ATOM 324 CZ ARG A 30 -9.696 -5.007 -3.049 1.00 0.00 C ATOM 325 NH1 ARG A 30 -9.709 -4.830 -4.341 1.00 0.00 N ATOM 326 NH2 ARG A 30 -9.934 -4.002 -2.250 1.00 0.00 N ATOM 0 H ARG A 30 -7.357 -8.050 -0.406 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.364 -10.138 0.227 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -10.279 -9.522 -1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.919 -8.047 -1.079 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -7.575 -8.152 -2.266 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.322 -9.317 -3.342 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.519 -7.022 -4.279 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.106 -7.674 -3.922 1.00 0.00 H new ATOM 0 HE ARG A 30 -9.426 -6.325 -1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -9.521 -5.614 -4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -9.908 -3.907 -4.727 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -9.921 -4.140 -1.239 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -10.132 -3.079 -2.636 1.00 0.00 H new ATOM 340 N THR A 31 -6.799 -10.597 -1.790 1.00 0.00 N ATOM 341 CA THR A 31 -6.012 -11.662 -2.491 1.00 0.00 C ATOM 342 C THR A 31 -4.709 -11.910 -1.722 1.00 0.00 C ATOM 343 O THR A 31 -4.186 -13.008 -1.704 1.00 0.00 O ATOM 344 CB THR A 31 -5.705 -11.203 -3.919 1.00 0.00 C ATOM 345 OG1 THR A 31 -4.790 -12.104 -4.523 1.00 0.00 O ATOM 346 CG2 THR A 31 -5.106 -9.796 -3.889 1.00 0.00 C ATOM 0 H THR A 31 -6.373 -9.671 -1.806 1.00 0.00 H new ATOM 0 HA THR A 31 -6.585 -12.588 -2.531 1.00 0.00 H new ATOM 0 HB THR A 31 -6.627 -11.187 -4.500 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.596 -11.809 -5.437 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.888 -9.471 -4.907 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.817 -9.107 -3.433 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.185 -9.805 -3.306 1.00 0.00 H new ATOM 354 N GLY A 32 -4.193 -10.903 -1.064 1.00 0.00 N ATOM 355 CA GLY A 32 -2.936 -11.079 -0.269 1.00 0.00 C ATOM 356 C GLY A 32 -1.702 -10.735 -1.112 1.00 0.00 C ATOM 357 O GLY A 32 -0.603 -10.646 -0.603 1.00 0.00 O ATOM 0 H GLY A 32 -4.588 -9.963 -1.042 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.967 -10.441 0.614 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.865 -12.108 0.084 1.00 0.00 H new ATOM 361 N LYS A 33 -1.864 -10.549 -2.392 1.00 0.00 N ATOM 362 CA LYS A 33 -0.685 -10.221 -3.248 1.00 0.00 C ATOM 363 C LYS A 33 -0.268 -8.766 -3.013 1.00 0.00 C ATOM 364 O LYS A 33 -0.864 -8.064 -2.220 1.00 0.00 O ATOM 365 CB LYS A 33 -1.052 -10.445 -4.722 1.00 0.00 C ATOM 366 CG LYS A 33 -0.925 -11.938 -5.072 1.00 0.00 C ATOM 367 CD LYS A 33 -1.647 -12.790 -4.018 1.00 0.00 C ATOM 368 CE LYS A 33 -1.868 -14.203 -4.558 1.00 0.00 C ATOM 369 NZ LYS A 33 -2.276 -15.100 -3.440 1.00 0.00 N ATOM 0 H LYS A 33 -2.756 -10.609 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 33 0.153 -10.868 -2.989 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -2.071 -10.104 -4.908 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.396 -9.855 -5.363 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.351 -12.126 -6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.127 -12.220 -5.121 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.057 -12.829 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.604 -12.335 -3.762 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -2.637 -14.193 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.954 -14.574 -5.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.776 -15.928 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -1.431 -15.415 -2.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.906 -14.584 -2.793 1.00 0.00 H new ATOM 383 N GLU A 34 0.770 -8.318 -3.685 1.00 0.00 N ATOM 384 CA GLU A 34 1.260 -6.914 -3.496 1.00 0.00 C ATOM 385 C GLU A 34 1.143 -6.121 -4.800 1.00 0.00 C ATOM 386 O GLU A 34 0.850 -6.659 -5.850 1.00 0.00 O ATOM 387 CB GLU A 34 2.729 -6.952 -3.070 1.00 0.00 C ATOM 388 CG GLU A 34 2.865 -7.743 -1.766 1.00 0.00 C ATOM 389 CD GLU A 34 4.235 -7.469 -1.141 1.00 0.00 C ATOM 390 OE1 GLU A 34 5.226 -7.852 -1.741 1.00 0.00 O ATOM 391 OE2 GLU A 34 4.269 -6.880 -0.073 1.00 0.00 O ATOM 0 H GLU A 34 1.301 -8.869 -4.360 1.00 0.00 H new ATOM 0 HA GLU A 34 0.652 -6.430 -2.732 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.333 -7.413 -3.852 1.00 0.00 H new ATOM 0 HB3 GLU A 34 3.105 -5.938 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.074 -7.459 -1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.750 -8.809 -1.962 1.00 0.00 H new ATOM 398 N PHE A 35 1.381 -4.836 -4.727 1.00 0.00 N ATOM 399 CA PHE A 35 1.304 -3.964 -5.941 1.00 0.00 C ATOM 400 C PHE A 35 2.485 -2.985 -5.917 1.00 0.00 C ATOM 401 O PHE A 35 2.661 -2.233 -4.978 1.00 0.00 O ATOM 402 CB PHE A 35 -0.025 -3.179 -5.925 1.00 0.00 C ATOM 403 CG PHE A 35 -1.102 -3.959 -6.648 1.00 0.00 C ATOM 404 CD1 PHE A 35 -1.708 -5.061 -6.031 1.00 0.00 C ATOM 405 CD2 PHE A 35 -1.493 -3.576 -7.936 1.00 0.00 C ATOM 406 CE1 PHE A 35 -2.703 -5.780 -6.704 1.00 0.00 C ATOM 407 CE2 PHE A 35 -2.488 -4.296 -8.609 1.00 0.00 C ATOM 408 CZ PHE A 35 -3.093 -5.397 -7.993 1.00 0.00 C ATOM 0 H PHE A 35 1.629 -4.347 -3.867 1.00 0.00 H new ATOM 0 HA PHE A 35 1.347 -4.573 -6.844 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.332 -2.990 -4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 35 0.112 -2.208 -6.401 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -1.408 -5.356 -5.036 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.027 -2.725 -8.411 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -3.170 -6.630 -6.229 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -2.788 -4.001 -9.604 1.00 0.00 H new ATOM 0 HZ PHE A 35 -3.861 -5.951 -8.512 1.00 0.00 H new ATOM 418 N GLY A 36 3.295 -2.993 -6.942 1.00 0.00 N ATOM 419 CA GLY A 36 4.463 -2.066 -6.978 1.00 0.00 C ATOM 420 C GLY A 36 3.982 -0.636 -7.224 1.00 0.00 C ATOM 421 O GLY A 36 3.326 -0.353 -8.207 1.00 0.00 O ATOM 0 H GLY A 36 3.198 -3.601 -7.755 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.010 -2.119 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.154 -2.367 -7.765 1.00 0.00 H new ATOM 425 N LEU A 37 4.311 0.271 -6.336 1.00 0.00 N ATOM 426 CA LEU A 37 3.885 1.698 -6.501 1.00 0.00 C ATOM 427 C LEU A 37 5.091 2.544 -6.906 1.00 0.00 C ATOM 428 O LEU A 37 5.185 3.016 -8.022 1.00 0.00 O ATOM 429 CB LEU A 37 3.335 2.221 -5.170 1.00 0.00 C ATOM 430 CG LEU A 37 2.302 1.238 -4.608 1.00 0.00 C ATOM 431 CD1 LEU A 37 1.631 1.853 -3.379 1.00 0.00 C ATOM 432 CD2 LEU A 37 1.236 0.936 -5.672 1.00 0.00 C ATOM 0 H LEU A 37 4.861 0.083 -5.498 1.00 0.00 H new ATOM 0 HA LEU A 37 3.115 1.760 -7.270 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.149 2.353 -4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.877 3.199 -5.315 1.00 0.00 H new ATOM 0 HG LEU A 37 2.804 0.312 -4.328 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.896 1.155 -2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 37 2.384 2.062 -2.620 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.134 2.781 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.505 0.237 -5.266 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.734 1.861 -5.957 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.711 0.496 -6.549 1.00 0.00 H new ATOM 444 N GLY A 38 6.012 2.741 -6.006 1.00 0.00 N ATOM 445 CA GLY A 38 7.212 3.560 -6.334 1.00 0.00 C ATOM 446 C GLY A 38 8.018 3.817 -5.061 1.00 0.00 C ATOM 447 O GLY A 38 7.721 3.288 -4.008 1.00 0.00 O ATOM 0 H GLY A 38 5.986 2.370 -5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 38 7.829 3.043 -7.069 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.908 4.506 -6.782 1.00 0.00 H new ATOM 451 N ARG A 39 9.043 4.622 -5.150 1.00 0.00 N ATOM 452 CA ARG A 39 9.883 4.916 -3.952 1.00 0.00 C ATOM 453 C ARG A 39 9.379 6.191 -3.275 1.00 0.00 C ATOM 454 O ARG A 39 9.983 6.695 -2.350 1.00 0.00 O ATOM 455 CB ARG A 39 11.327 5.128 -4.399 1.00 0.00 C ATOM 456 CG ARG A 39 11.797 3.921 -5.222 1.00 0.00 C ATOM 457 CD ARG A 39 13.127 4.243 -5.908 1.00 0.00 C ATOM 458 NE ARG A 39 14.232 4.173 -4.911 1.00 0.00 N ATOM 459 CZ ARG A 39 15.469 4.104 -5.318 1.00 0.00 C ATOM 460 NH1 ARG A 39 15.735 4.109 -6.594 1.00 0.00 N ATOM 461 NH2 ARG A 39 16.441 4.030 -4.447 1.00 0.00 N ATOM 0 H ARG A 39 9.336 5.092 -6.007 1.00 0.00 H new ATOM 0 HA ARG A 39 9.826 4.083 -3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.404 6.038 -4.994 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.971 5.260 -3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.913 3.052 -4.575 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.046 3.664 -5.969 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.310 3.538 -6.719 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.087 5.237 -6.353 1.00 0.00 H new ATOM 0 HE ARG A 39 14.022 4.179 -3.913 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.976 4.167 -7.273 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.702 4.055 -6.914 1.00 0.00 H new ATOM 0 HH21 ARG A 39 16.232 4.026 -3.449 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.408 3.976 -4.766 1.00 0.00 H new ATOM 475 N ASP A 40 8.277 6.717 -3.733 1.00 0.00 N ATOM 476 CA ASP A 40 7.725 7.967 -3.126 1.00 0.00 C ATOM 477 C ASP A 40 6.673 7.604 -2.080 1.00 0.00 C ATOM 478 O ASP A 40 5.533 7.336 -2.403 1.00 0.00 O ATOM 479 CB ASP A 40 7.061 8.808 -4.218 1.00 0.00 C ATOM 480 CG ASP A 40 8.130 9.368 -5.156 1.00 0.00 C ATOM 481 OD1 ASP A 40 8.965 10.124 -4.685 1.00 0.00 O ATOM 482 OD2 ASP A 40 8.097 9.033 -6.328 1.00 0.00 O ATOM 0 H ASP A 40 7.731 6.335 -4.505 1.00 0.00 H new ATOM 0 HA ASP A 40 8.534 8.529 -2.659 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.353 8.199 -4.780 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.494 9.623 -3.769 1.00 0.00 H new ATOM 487 N ARG A 41 7.037 7.600 -0.829 1.00 0.00 N ATOM 488 CA ARG A 41 6.041 7.261 0.218 1.00 0.00 C ATOM 489 C ARG A 41 4.875 8.248 0.117 1.00 0.00 C ATOM 490 O ARG A 41 3.827 8.048 0.686 1.00 0.00 O ATOM 491 CB ARG A 41 6.710 7.294 1.613 1.00 0.00 C ATOM 492 CG ARG A 41 6.615 8.678 2.286 1.00 0.00 C ATOM 493 CD ARG A 41 7.337 8.638 3.651 1.00 0.00 C ATOM 494 NE ARG A 41 6.470 9.269 4.694 1.00 0.00 N ATOM 495 CZ ARG A 41 5.937 10.445 4.508 1.00 0.00 C ATOM 496 NH1 ARG A 41 6.234 11.138 3.444 1.00 0.00 N ATOM 497 NH2 ARG A 41 5.122 10.939 5.399 1.00 0.00 N ATOM 0 H ARG A 41 7.975 7.815 -0.490 1.00 0.00 H new ATOM 0 HA ARG A 41 5.655 6.252 0.071 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.239 6.549 2.255 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.759 7.013 1.515 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.066 9.437 1.646 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.570 8.956 2.423 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.562 7.607 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.289 9.166 3.586 1.00 0.00 H new ATOM 0 HE ARG A 41 6.292 8.771 5.566 1.00 0.00 H new ATOM 0 HH11 ARG A 41 6.884 10.761 2.755 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.816 12.057 3.301 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.902 10.406 6.240 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.705 11.858 5.254 1.00 0.00 H new ATOM 511 N ARG A 42 5.055 9.308 -0.618 1.00 0.00 N ATOM 512 CA ARG A 42 3.966 10.307 -0.777 1.00 0.00 C ATOM 513 C ARG A 42 2.912 9.729 -1.709 1.00 0.00 C ATOM 514 O ARG A 42 1.731 9.741 -1.422 1.00 0.00 O ATOM 515 CB ARG A 42 4.527 11.597 -1.384 1.00 0.00 C ATOM 516 CG ARG A 42 5.696 12.111 -0.535 1.00 0.00 C ATOM 517 CD ARG A 42 5.187 12.590 0.829 1.00 0.00 C ATOM 518 NE ARG A 42 6.208 13.481 1.449 1.00 0.00 N ATOM 519 CZ ARG A 42 5.892 14.220 2.478 1.00 0.00 C ATOM 520 NH1 ARG A 42 4.687 14.165 2.975 1.00 0.00 N ATOM 521 NH2 ARG A 42 6.783 15.010 3.012 1.00 0.00 N ATOM 0 H ARG A 42 5.916 9.526 -1.119 1.00 0.00 H new ATOM 0 HA ARG A 42 3.528 10.534 0.195 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.862 11.413 -2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.745 12.354 -1.437 1.00 0.00 H new ATOM 0 HG2 ARG A 42 6.432 11.319 -0.399 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.199 12.929 -1.052 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.244 13.124 0.711 1.00 0.00 H new ATOM 0 HD3 ARG A 42 4.991 11.736 1.477 1.00 0.00 H new ATOM 0 HE ARG A 42 7.154 13.514 1.069 1.00 0.00 H new ATOM 0 HH11 ARG A 42 3.992 13.545 2.560 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.440 14.742 3.779 1.00 0.00 H new ATOM 0 HH21 ARG A 42 7.726 15.050 2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.536 15.587 3.816 1.00 0.00 H new ATOM 535 N ILE A 43 3.338 9.226 -2.832 1.00 0.00 N ATOM 536 CA ILE A 43 2.375 8.646 -3.800 1.00 0.00 C ATOM 537 C ILE A 43 1.969 7.249 -3.336 1.00 0.00 C ATOM 538 O ILE A 43 0.837 6.840 -3.482 1.00 0.00 O ATOM 539 CB ILE A 43 3.032 8.563 -5.178 1.00 0.00 C ATOM 540 CG1 ILE A 43 3.358 9.974 -5.671 1.00 0.00 C ATOM 541 CG2 ILE A 43 2.076 7.888 -6.163 1.00 0.00 C ATOM 542 CD1 ILE A 43 4.306 9.885 -6.867 1.00 0.00 C ATOM 0 H ILE A 43 4.316 9.192 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 43 1.488 9.277 -3.860 1.00 0.00 H new ATOM 0 HB ILE A 43 3.950 7.979 -5.107 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.443 10.493 -5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 43 3.817 10.554 -4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.546 7.830 -7.145 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.842 6.883 -5.812 1.00 0.00 H new ATOM 0 HG23 ILE A 43 1.157 8.470 -6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.540 10.889 -7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 43 5.225 9.382 -6.566 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.829 9.320 -7.668 1.00 0.00 H new ATOM 554 N ALA A 44 2.885 6.512 -2.775 1.00 0.00 N ATOM 555 CA ALA A 44 2.549 5.142 -2.299 1.00 0.00 C ATOM 556 C ALA A 44 1.526 5.240 -1.154 1.00 0.00 C ATOM 557 O ALA A 44 0.447 4.685 -1.226 1.00 0.00 O ATOM 558 CB ALA A 44 3.846 4.459 -1.826 1.00 0.00 C ATOM 0 H ALA A 44 3.852 6.799 -2.625 1.00 0.00 H new ATOM 0 HA ALA A 44 2.108 4.550 -3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.620 3.453 -1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.551 4.403 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.287 5.038 -1.014 1.00 0.00 H new ATOM 564 N ILE A 45 1.854 5.943 -0.105 1.00 0.00 N ATOM 565 CA ILE A 45 0.899 6.075 1.036 1.00 0.00 C ATOM 566 C ILE A 45 -0.442 6.597 0.515 1.00 0.00 C ATOM 567 O ILE A 45 -1.494 6.198 0.974 1.00 0.00 O ATOM 568 CB ILE A 45 1.466 7.055 2.068 1.00 0.00 C ATOM 569 CG1 ILE A 45 2.729 6.453 2.700 1.00 0.00 C ATOM 570 CG2 ILE A 45 0.427 7.315 3.159 1.00 0.00 C ATOM 571 CD1 ILE A 45 3.446 7.504 3.559 1.00 0.00 C ATOM 0 H ILE A 45 2.741 6.432 0.013 1.00 0.00 H new ATOM 0 HA ILE A 45 0.754 5.102 1.505 1.00 0.00 H new ATOM 0 HB ILE A 45 1.714 7.995 1.575 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.462 5.592 3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 45 3.399 6.093 1.919 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.835 8.012 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.471 7.742 2.712 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.176 6.377 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.340 7.064 4.001 1.00 0.00 H new ATOM 0 HD12 ILE A 45 3.729 8.352 2.935 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.779 7.843 4.351 1.00 0.00 H new ATOM 583 N THR A 46 -0.415 7.484 -0.444 1.00 0.00 N ATOM 584 CA THR A 46 -1.689 8.024 -0.998 1.00 0.00 C ATOM 585 C THR A 46 -2.568 6.854 -1.452 1.00 0.00 C ATOM 586 O THR A 46 -3.682 6.690 -1.002 1.00 0.00 O ATOM 587 CB THR A 46 -1.366 8.958 -2.185 1.00 0.00 C ATOM 588 OG1 THR A 46 -1.159 10.275 -1.696 1.00 0.00 O ATOM 589 CG2 THR A 46 -2.515 8.973 -3.205 1.00 0.00 C ATOM 0 H THR A 46 0.435 7.857 -0.867 1.00 0.00 H new ATOM 0 HA THR A 46 -2.225 8.594 -0.240 1.00 0.00 H new ATOM 0 HB THR A 46 -0.468 8.590 -2.682 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.211 10.400 -1.483 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.261 9.639 -4.030 1.00 0.00 H new ATOM 0 HG22 THR A 46 -2.675 7.965 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 46 -3.426 9.326 -2.722 1.00 0.00 H new ATOM 597 N GLU A 47 -2.068 6.049 -2.345 1.00 0.00 N ATOM 598 CA GLU A 47 -2.863 4.894 -2.846 1.00 0.00 C ATOM 599 C GLU A 47 -3.188 3.968 -1.680 1.00 0.00 C ATOM 600 O GLU A 47 -4.259 3.400 -1.598 1.00 0.00 O ATOM 601 CB GLU A 47 -2.041 4.124 -3.880 1.00 0.00 C ATOM 602 CG GLU A 47 -1.536 5.083 -4.955 1.00 0.00 C ATOM 603 CD GLU A 47 -2.709 5.558 -5.813 1.00 0.00 C ATOM 604 OE1 GLU A 47 -3.797 5.033 -5.640 1.00 0.00 O ATOM 605 OE2 GLU A 47 -2.501 6.440 -6.630 1.00 0.00 O ATOM 0 H GLU A 47 -1.137 6.141 -2.752 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.785 5.254 -3.303 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.199 3.631 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.650 3.342 -4.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.043 5.937 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.794 4.586 -5.580 1.00 0.00 H new ATOM 612 N ALA A 48 -2.267 3.817 -0.777 1.00 0.00 N ATOM 613 CA ALA A 48 -2.509 2.931 0.398 1.00 0.00 C ATOM 614 C ALA A 48 -3.761 3.411 1.141 1.00 0.00 C ATOM 615 O ALA A 48 -4.588 2.627 1.561 1.00 0.00 O ATOM 616 CB ALA A 48 -1.305 2.995 1.340 1.00 0.00 C ATOM 0 H ALA A 48 -1.353 4.269 -0.798 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.652 1.905 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.481 2.348 2.199 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.412 2.662 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.164 4.021 1.681 1.00 0.00 H new ATOM 622 N ILE A 49 -3.902 4.696 1.309 1.00 0.00 N ATOM 623 CA ILE A 49 -5.093 5.238 2.028 1.00 0.00 C ATOM 624 C ILE A 49 -6.377 4.869 1.278 1.00 0.00 C ATOM 625 O ILE A 49 -7.343 4.433 1.869 1.00 0.00 O ATOM 626 CB ILE A 49 -4.966 6.760 2.137 1.00 0.00 C ATOM 627 CG1 ILE A 49 -3.842 7.089 3.119 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.279 7.363 2.646 1.00 0.00 C ATOM 629 CD1 ILE A 49 -3.500 8.575 3.026 1.00 0.00 C ATOM 0 H ILE A 49 -3.241 5.399 0.978 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.140 4.805 3.027 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.744 7.178 1.155 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.148 6.839 4.135 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.961 6.488 2.894 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.178 8.446 2.720 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -7.084 7.120 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.511 6.953 3.629 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.698 8.808 3.727 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.176 8.811 2.012 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.381 9.167 3.272 1.00 0.00 H new ATOM 641 N GLN A 50 -6.400 5.040 -0.013 1.00 0.00 N ATOM 642 CA GLN A 50 -7.634 4.695 -0.777 1.00 0.00 C ATOM 643 C GLN A 50 -7.950 3.223 -0.554 1.00 0.00 C ATOM 644 O GLN A 50 -9.093 2.815 -0.521 1.00 0.00 O ATOM 645 CB GLN A 50 -7.414 4.946 -2.274 1.00 0.00 C ATOM 646 CG GLN A 50 -6.694 6.276 -2.471 1.00 0.00 C ATOM 647 CD GLN A 50 -7.471 7.388 -1.764 1.00 0.00 C ATOM 648 OE1 GLN A 50 -8.674 7.488 -1.904 1.00 0.00 O ATOM 649 NE2 GLN A 50 -6.832 8.234 -1.003 1.00 0.00 N ATOM 0 H GLN A 50 -5.626 5.401 -0.570 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.461 5.316 -0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -6.827 4.136 -2.706 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.371 4.959 -2.795 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -5.681 6.216 -2.072 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -6.605 6.499 -3.534 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.822 8.151 -0.884 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -7.342 8.978 -0.527 1.00 0.00 H new ATOM 658 N ALA A 51 -6.939 2.423 -0.389 1.00 0.00 N ATOM 659 CA ALA A 51 -7.177 0.975 -0.154 1.00 0.00 C ATOM 660 C ALA A 51 -7.914 0.807 1.174 1.00 0.00 C ATOM 661 O ALA A 51 -8.790 -0.023 1.310 1.00 0.00 O ATOM 662 CB ALA A 51 -5.840 0.238 -0.094 1.00 0.00 C ATOM 0 H ALA A 51 -5.960 2.707 -0.406 1.00 0.00 H new ATOM 0 HA ALA A 51 -7.775 0.562 -0.966 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -6.017 -0.824 0.078 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.310 0.369 -1.037 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.238 0.642 0.720 1.00 0.00 H new ATOM 668 N ASN A 52 -7.565 1.594 2.157 1.00 0.00 N ATOM 669 CA ASN A 52 -8.247 1.484 3.476 1.00 0.00 C ATOM 670 C ASN A 52 -9.704 1.941 3.336 1.00 0.00 C ATOM 671 O ASN A 52 -10.607 1.337 3.876 1.00 0.00 O ATOM 672 CB ASN A 52 -7.509 2.363 4.500 1.00 0.00 C ATOM 673 CG ASN A 52 -6.356 1.573 5.133 1.00 0.00 C ATOM 674 OD1 ASN A 52 -6.576 0.719 5.969 1.00 0.00 O ATOM 675 ND2 ASN A 52 -5.128 1.825 4.766 1.00 0.00 N ATOM 0 H ASN A 52 -6.838 2.307 2.102 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.233 0.449 3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -7.123 3.258 4.012 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -8.202 2.695 5.274 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -4.355 1.305 5.181 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -4.942 2.542 4.064 1.00 0.00 H new ATOM 682 N ILE A 53 -9.944 2.994 2.609 1.00 0.00 N ATOM 683 CA ILE A 53 -11.346 3.464 2.433 1.00 0.00 C ATOM 684 C ILE A 53 -12.073 2.455 1.539 1.00 0.00 C ATOM 685 O ILE A 53 -13.232 2.148 1.738 1.00 0.00 O ATOM 686 CB ILE A 53 -11.336 4.870 1.789 1.00 0.00 C ATOM 687 CG1 ILE A 53 -11.149 5.938 2.880 1.00 0.00 C ATOM 688 CG2 ILE A 53 -12.657 5.142 1.053 1.00 0.00 C ATOM 689 CD1 ILE A 53 -9.948 5.584 3.764 1.00 0.00 C ATOM 0 H ILE A 53 -9.234 3.548 2.130 1.00 0.00 H new ATOM 0 HA ILE A 53 -11.860 3.535 3.391 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.514 4.912 1.075 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -10.997 6.915 2.421 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -12.050 6.009 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.627 6.137 0.608 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -12.797 4.398 0.269 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -13.485 5.085 1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -9.825 6.347 4.533 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -10.117 4.616 4.236 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -9.047 5.537 3.152 1.00 0.00 H new ATOM 701 N GLU A 54 -11.391 1.930 0.563 1.00 0.00 N ATOM 702 CA GLU A 54 -12.022 0.931 -0.343 1.00 0.00 C ATOM 703 C GLU A 54 -12.183 -0.399 0.399 1.00 0.00 C ATOM 704 O GLU A 54 -12.974 -1.239 0.021 1.00 0.00 O ATOM 705 CB GLU A 54 -11.130 0.724 -1.567 1.00 0.00 C ATOM 706 CG GLU A 54 -11.264 1.923 -2.509 1.00 0.00 C ATOM 707 CD GLU A 54 -10.421 1.684 -3.763 1.00 0.00 C ATOM 708 OE1 GLU A 54 -9.671 0.722 -3.772 1.00 0.00 O ATOM 709 OE2 GLU A 54 -10.539 2.466 -4.691 1.00 0.00 O ATOM 0 H GLU A 54 -10.418 2.150 0.352 1.00 0.00 H new ATOM 0 HA GLU A 54 -13.000 1.292 -0.660 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.092 0.607 -1.257 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.413 -0.192 -2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -12.309 2.069 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.936 2.833 -2.006 1.00 0.00 H new ATOM 716 N LEU A 55 -11.431 -0.599 1.449 1.00 0.00 N ATOM 717 CA LEU A 55 -11.537 -1.880 2.207 1.00 0.00 C ATOM 718 C LEU A 55 -12.965 -2.037 2.736 1.00 0.00 C ATOM 719 O LEU A 55 -13.393 -3.121 3.081 1.00 0.00 O ATOM 720 CB LEU A 55 -10.546 -1.861 3.381 1.00 0.00 C ATOM 721 CG LEU A 55 -10.719 -3.111 4.256 1.00 0.00 C ATOM 722 CD1 LEU A 55 -10.572 -4.381 3.403 1.00 0.00 C ATOM 723 CD2 LEU A 55 -9.649 -3.101 5.352 1.00 0.00 C ATOM 0 H LEU A 55 -10.750 0.067 1.814 1.00 0.00 H new ATOM 0 HA LEU A 55 -11.301 -2.718 1.551 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.525 -1.815 3.001 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -10.703 -0.965 3.982 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.712 -3.105 4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -10.697 -5.260 4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -11.332 -4.385 2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -9.583 -4.400 2.946 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.763 -3.985 5.980 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.660 -3.106 4.895 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -9.762 -2.205 5.963 1.00 0.00 H new ATOM 735 N PHE A 56 -13.706 -0.964 2.797 1.00 0.00 N ATOM 736 CA PHE A 56 -15.106 -1.044 3.297 1.00 0.00 C ATOM 737 C PHE A 56 -16.027 -1.342 2.104 1.00 0.00 C ATOM 738 O PHE A 56 -17.229 -1.449 2.243 1.00 0.00 O ATOM 739 CB PHE A 56 -15.459 0.304 3.965 1.00 0.00 C ATOM 740 CG PHE A 56 -16.934 0.609 3.843 1.00 0.00 C ATOM 741 CD1 PHE A 56 -17.429 1.133 2.647 1.00 0.00 C ATOM 742 CD2 PHE A 56 -17.796 0.373 4.918 1.00 0.00 C ATOM 743 CE1 PHE A 56 -18.793 1.423 2.523 1.00 0.00 C ATOM 744 CE2 PHE A 56 -19.159 0.663 4.796 1.00 0.00 C ATOM 745 CZ PHE A 56 -19.659 1.188 3.598 1.00 0.00 C ATOM 0 H PHE A 56 -13.399 -0.031 2.520 1.00 0.00 H new ATOM 0 HA PHE A 56 -15.228 -1.838 4.034 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -15.178 0.275 5.018 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -14.881 1.104 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -16.760 1.314 1.819 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -17.410 -0.033 5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -19.177 1.828 1.598 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -19.826 0.482 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 56 -20.711 1.411 3.503 1.00 0.00 H new ATOM 755 N SER A 57 -15.461 -1.484 0.936 1.00 0.00 N ATOM 756 CA SER A 57 -16.286 -1.780 -0.268 1.00 0.00 C ATOM 757 C SER A 57 -15.362 -2.050 -1.457 1.00 0.00 C ATOM 758 O SER A 57 -15.489 -1.448 -2.505 1.00 0.00 O ATOM 759 CB SER A 57 -17.187 -0.585 -0.580 1.00 0.00 C ATOM 760 OG SER A 57 -17.661 -0.692 -1.916 1.00 0.00 O ATOM 0 H SER A 57 -14.458 -1.407 0.764 1.00 0.00 H new ATOM 0 HA SER A 57 -16.906 -2.657 -0.080 1.00 0.00 H new ATOM 0 HB2 SER A 57 -18.026 -0.556 0.115 1.00 0.00 H new ATOM 0 HB3 SER A 57 -16.634 0.346 -0.451 1.00 0.00 H new ATOM 0 HG SER A 57 -16.921 -0.538 -2.539 1.00 0.00 H new ATOM 766 N GLY A 58 -14.431 -2.951 -1.301 1.00 0.00 N ATOM 767 CA GLY A 58 -13.493 -3.261 -2.419 1.00 0.00 C ATOM 768 C GLY A 58 -14.277 -3.826 -3.603 1.00 0.00 C ATOM 769 O GLY A 58 -13.722 -4.126 -4.641 1.00 0.00 O ATOM 0 H GLY A 58 -14.279 -3.487 -0.447 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -12.959 -2.360 -2.720 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -12.743 -3.980 -2.090 1.00 0.00 H new ATOM 773 N HIS A 59 -15.565 -3.974 -3.457 1.00 0.00 N ATOM 774 CA HIS A 59 -16.384 -4.519 -4.575 1.00 0.00 C ATOM 775 C HIS A 59 -16.463 -3.486 -5.700 1.00 0.00 C ATOM 776 O HIS A 59 -17.437 -2.772 -5.832 1.00 0.00 O ATOM 777 CB HIS A 59 -17.792 -4.833 -4.067 1.00 0.00 C ATOM 778 CG HIS A 59 -17.745 -6.043 -3.175 1.00 0.00 C ATOM 779 ND1 HIS A 59 -18.705 -7.041 -3.232 1.00 0.00 N ATOM 780 CD2 HIS A 59 -16.857 -6.431 -2.203 1.00 0.00 C ATOM 781 CE1 HIS A 59 -18.375 -7.972 -2.318 1.00 0.00 C ATOM 782 NE2 HIS A 59 -17.257 -7.649 -1.663 1.00 0.00 N ATOM 0 H HIS A 59 -16.085 -3.741 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 59 -15.923 -5.431 -4.954 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -18.191 -3.979 -3.519 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -18.462 -5.014 -4.908 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -15.981 -5.875 -1.903 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -18.945 -8.871 -2.136 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -16.795 -8.181 -0.925 1.00 0.00 H new TER 790 HIS A 59