USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 520 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00822 X(o=-0.0082,f=-0.33) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.36 K(o=1.4,f=-3.3!) USER MOD Single : A 20 SER OG : rot 180:sc=-0.00778 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 153:sc= -0.0755 (180deg=-1.51) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 89:sc= 1.26 USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 48 CYS SG : rot 57:sc= 0.0307 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.384 X(o=-0.38,f=-0.031) USER MOD Single : A 54 GLN : amide:sc= -0.158 X(o=-0.16,f=-0.025) USER MOD Single : A 60 ASN : amide:sc= 0.638 K(o=0.64,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 1.11 (180deg=0.864) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 12.778 1.821 0.237 1.00 25.00 N ATOM 60 CA TYR A 5 13.636 0.665 0.517 1.00 25.00 C ATOM 61 C TYR A 5 13.303 -0.583 -0.328 1.00 25.00 C ATOM 62 O TYR A 5 12.390 -0.580 -1.141 1.00 25.00 O ATOM 63 CB TYR A 5 13.585 0.345 2.016 1.00 25.00 C ATOM 64 CG TYR A 5 14.393 1.297 2.877 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.780 2.025 3.917 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.784 1.453 2.679 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.544 2.895 4.745 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.546 2.324 3.502 1.00 25.00 C ATOM 69 CZ TYR A 5 15.920 3.033 4.528 1.00 25.00 C ATOM 70 OH TYR A 5 16.658 3.863 5.330 1.00 25.00 O ATOM 0 HA TYR A 5 14.649 0.943 0.227 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.546 0.365 2.346 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.950 -0.670 2.173 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.719 1.921 4.087 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.274 0.902 1.890 1.00 25.00 H new ATOM 0 HE1 TYR A 5 14.063 3.447 5.539 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.607 2.437 3.334 1.00 25.00 H new ATOM 0 HH TYR A 5 17.596 3.843 5.046 1.00 25.00 H new ATOM 80 N LEU A 6 14.096 -1.632 -0.158 1.00 25.00 N ATOM 81 CA LEU A 6 13.894 -2.887 -0.883 1.00 25.00 C ATOM 82 C LEU A 6 12.665 -3.613 -0.336 1.00 25.00 C ATOM 83 O LEU A 6 11.884 -4.171 -1.093 1.00 25.00 O ATOM 84 CB LEU A 6 15.126 -3.793 -0.731 1.00 25.00 C ATOM 85 CG LEU A 6 16.480 -3.268 -1.234 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.575 -4.287 -0.892 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.470 -3.008 -2.736 1.00 25.00 C ATOM 0 H LEU A 6 14.892 -1.642 0.480 1.00 25.00 H new ATOM 0 HA LEU A 6 13.744 -2.658 -1.938 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.234 -4.033 0.327 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.918 -4.728 -1.251 1.00 25.00 H new ATOM 0 HG LEU A 6 16.678 -2.317 -0.739 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.538 -3.919 -1.247 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.616 -4.428 0.188 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.350 -5.238 -1.374 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.447 -2.638 -3.048 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.247 -3.935 -3.264 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.709 -2.264 -2.971 1.00 25.00 H new ATOM 99 N ASN A 7 12.517 -3.585 0.988 1.00 25.00 N ATOM 100 CA ASN A 7 11.382 -4.206 1.699 1.00 25.00 C ATOM 101 C ASN A 7 11.148 -5.687 1.312 1.00 25.00 C ATOM 102 O ASN A 7 10.055 -6.090 0.922 1.00 25.00 O ATOM 103 CB ASN A 7 10.119 -3.340 1.517 1.00 25.00 C ATOM 104 CG ASN A 7 9.845 -2.476 2.714 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.622 -2.966 3.807 1.00 25.00 O ATOM 106 ND2 ASN A 7 9.872 -1.188 2.526 1.00 25.00 N ATOM 0 H ASN A 7 13.184 -3.128 1.610 1.00 25.00 H new ATOM 0 HA ASN A 7 11.633 -4.238 2.759 1.00 25.00 H new ATOM 0 HB2 ASN A 7 10.237 -2.710 0.636 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.261 -3.987 1.334 1.00 25.00 H new ATOM 0 HD21 ASN A 7 9.703 -0.555 3.308 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.062 -0.812 1.597 1.00 25.00 H new ATOM 113 N VAL A 8 12.193 -6.497 1.451 1.00 25.00 N ATOM 114 CA VAL A 8 12.123 -7.928 1.122 1.00 25.00 C ATOM 115 C VAL A 8 12.263 -8.710 2.425 1.00 25.00 C ATOM 116 O VAL A 8 12.769 -8.180 3.396 1.00 25.00 O ATOM 117 CB VAL A 8 13.242 -8.338 0.085 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.742 -7.118 -0.680 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.440 -9.003 0.754 1.00 25.00 C ATOM 0 H VAL A 8 13.105 -6.191 1.790 1.00 25.00 H new ATOM 0 HA VAL A 8 11.168 -8.155 0.648 1.00 25.00 H new ATOM 0 HB VAL A 8 12.778 -9.053 -0.595 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.512 -7.423 -1.389 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.912 -6.662 -1.220 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.160 -6.395 0.021 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.180 -9.265 -0.002 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.884 -8.314 1.473 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.114 -9.906 1.270 1.00 25.00 H new ATOM 129 N LEU A 9 11.829 -9.958 2.463 1.00 25.00 N ATOM 130 CA LEU A 9 11.969 -10.764 3.681 1.00 25.00 C ATOM 131 C LEU A 9 13.241 -11.600 3.615 1.00 25.00 C ATOM 132 O LEU A 9 13.634 -12.049 2.541 1.00 25.00 O ATOM 133 CB LEU A 9 10.756 -11.684 3.853 1.00 25.00 C ATOM 134 CG LEU A 9 9.390 -10.991 4.002 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.300 -12.053 4.092 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.333 -10.085 5.237 1.00 25.00 C ATOM 0 H LEU A 9 11.382 -10.437 1.681 1.00 25.00 H new ATOM 0 HA LEU A 9 12.028 -10.090 4.536 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.709 -12.352 2.993 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.921 -12.307 4.732 1.00 25.00 H new ATOM 0 HG LEU A 9 9.236 -10.358 3.128 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.329 -11.570 4.198 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.307 -12.659 3.186 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.484 -12.691 4.957 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.350 -9.618 5.300 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.510 -10.680 6.133 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.098 -9.312 5.157 1.00 25.00 H new ATOM 148 N ALA A 10 13.874 -11.834 4.756 1.00 25.00 N ATOM 149 CA ALA A 10 15.070 -12.674 4.824 1.00 25.00 C ATOM 150 C ALA A 10 15.034 -13.543 6.080 1.00 25.00 C ATOM 151 O ALA A 10 14.576 -13.092 7.122 1.00 25.00 O ATOM 152 CB ALA A 10 16.318 -11.804 4.814 1.00 25.00 C ATOM 0 H ALA A 10 13.580 -11.453 5.655 1.00 25.00 H new ATOM 0 HA ALA A 10 15.093 -13.328 3.952 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.204 -12.437 4.865 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.344 -11.216 3.896 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.301 -11.134 5.674 1.00 25.00 H new ATOM 158 N LYS A 11 15.530 -14.775 5.972 1.00 25.00 N ATOM 159 CA LYS A 11 15.583 -15.708 7.102 1.00 25.00 C ATOM 160 C LYS A 11 17.001 -15.848 7.632 1.00 25.00 C ATOM 161 O LYS A 11 17.952 -15.978 6.859 1.00 25.00 O ATOM 162 CB LYS A 11 15.087 -17.098 6.677 1.00 25.00 C ATOM 163 CG LYS A 11 15.195 -18.153 7.793 1.00 25.00 C ATOM 164 CD LYS A 11 14.393 -19.425 7.524 1.00 25.00 C ATOM 165 CE LYS A 11 12.898 -19.206 7.767 1.00 25.00 C ATOM 166 NZ LYS A 11 12.106 -20.479 7.844 1.00 25.00 N ATOM 0 H LYS A 11 15.906 -15.155 5.103 1.00 25.00 H new ATOM 0 HA LYS A 11 14.941 -15.304 7.884 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.048 -17.023 6.358 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.662 -17.433 5.814 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.244 -18.418 7.928 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.855 -17.712 8.730 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.552 -19.746 6.495 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.754 -20.227 8.168 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.767 -18.651 8.696 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.496 -18.586 6.966 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.104 -20.255 8.010 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.201 -21.001 6.950 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.464 -21.064 8.626 1.00 25.00 H new ATOM 180 N ALA A 12 17.126 -15.886 8.945 1.00 25.00 N ATOM 181 CA ALA A 12 18.401 -16.113 9.609 1.00 25.00 C ATOM 182 C ALA A 12 18.838 -17.579 9.486 1.00 25.00 C ATOM 183 O ALA A 12 18.071 -18.484 9.806 1.00 25.00 O ATOM 184 CB ALA A 12 18.255 -15.729 11.068 1.00 25.00 C ATOM 0 H ALA A 12 16.343 -15.760 9.587 1.00 25.00 H new ATOM 0 HA ALA A 12 19.169 -15.503 9.133 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.201 -15.892 11.584 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.978 -14.677 11.141 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.480 -16.341 11.530 1.00 25.00 H new ATOM 190 N LEU A 13 20.072 -17.812 9.057 1.00 25.00 N ATOM 191 CA LEU A 13 20.622 -19.173 8.992 1.00 25.00 C ATOM 192 C LEU A 13 21.313 -19.521 10.291 1.00 25.00 C ATOM 193 O LEU A 13 21.581 -20.684 10.562 1.00 25.00 O ATOM 194 CB LEU A 13 21.677 -19.308 7.892 1.00 25.00 C ATOM 195 CG LEU A 13 21.324 -19.139 6.414 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.899 -19.590 6.068 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.551 -17.720 5.990 1.00 25.00 C ATOM 0 H LEU A 13 20.715 -17.083 8.748 1.00 25.00 H new ATOM 0 HA LEU A 13 19.780 -19.836 8.791 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.460 -18.583 8.115 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.120 -20.298 7.999 1.00 25.00 H new ATOM 0 HG LEU A 13 21.989 -19.799 5.857 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.719 -19.441 5.003 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.782 -20.646 6.312 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.182 -19.004 6.643 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.297 -17.610 4.936 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.923 -17.057 6.586 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.599 -17.459 6.140 1.00 25.00 H new ATOM 209 N TYR A 14 21.644 -18.500 11.061 1.00 25.00 N ATOM 210 CA TYR A 14 22.377 -18.660 12.309 1.00 25.00 C ATOM 211 C TYR A 14 21.866 -17.638 13.297 1.00 25.00 C ATOM 212 O TYR A 14 21.242 -16.656 12.902 1.00 25.00 O ATOM 213 CB TYR A 14 23.873 -18.420 12.087 1.00 25.00 C ATOM 214 CG TYR A 14 24.506 -19.401 11.126 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.612 -19.098 9.753 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.995 -20.643 11.580 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.177 -20.026 8.846 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.578 -21.566 10.678 1.00 25.00 C ATOM 219 CZ TYR A 14 25.657 -21.252 9.317 1.00 25.00 C ATOM 220 OH TYR A 14 26.211 -22.144 8.438 1.00 25.00 O ATOM 0 H TYR A 14 21.412 -17.532 10.839 1.00 25.00 H new ATOM 0 HA TYR A 14 22.232 -19.673 12.683 1.00 25.00 H new ATOM 0 HB2 TYR A 14 24.018 -17.408 11.709 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.388 -18.479 13.046 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.257 -18.145 9.389 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.924 -20.893 12.628 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.237 -19.788 7.794 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.960 -22.509 11.040 1.00 25.00 H new ATOM 0 HH TYR A 14 26.497 -22.946 8.923 1.00 25.00 H new ATOM 230 N ASP A 15 22.167 -17.848 14.565 1.00 25.00 N ATOM 231 CA ASP A 15 21.864 -16.873 15.599 1.00 25.00 C ATOM 232 C ASP A 15 22.803 -15.680 15.418 1.00 25.00 C ATOM 233 O ASP A 15 23.920 -15.829 14.897 1.00 25.00 O ATOM 234 CB ASP A 15 22.102 -17.499 16.977 1.00 25.00 C ATOM 235 CG ASP A 15 21.268 -18.748 17.203 1.00 25.00 C ATOM 236 OD1 ASP A 15 20.043 -18.692 17.002 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.831 -19.790 17.565 1.00 25.00 O ATOM 0 H ASP A 15 22.625 -18.693 14.907 1.00 25.00 H new ATOM 0 HA ASP A 15 20.824 -16.555 15.525 1.00 25.00 H new ATOM 0 HB2 ASP A 15 23.158 -17.748 17.081 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.869 -16.766 17.750 1.00 25.00 H new ATOM 242 N ASN A 16 22.382 -14.509 15.870 1.00 25.00 N ATOM 243 CA ASN A 16 23.235 -13.330 15.839 1.00 25.00 C ATOM 244 C ASN A 16 23.093 -12.557 17.133 1.00 25.00 C ATOM 245 O ASN A 16 21.984 -12.330 17.614 1.00 25.00 O ATOM 246 CB ASN A 16 22.890 -12.407 14.670 1.00 25.00 C ATOM 247 CG ASN A 16 23.991 -11.416 14.395 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.126 -11.813 14.167 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.691 -10.151 14.456 1.00 25.00 N ATOM 0 H ASN A 16 21.454 -14.349 16.263 1.00 25.00 H new ATOM 0 HA ASN A 16 24.261 -13.675 15.713 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.708 -13.005 13.777 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.966 -11.872 14.890 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.415 -9.448 14.311 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.732 -9.863 14.649 1.00 25.00 H new ATOM 256 N VAL A 17 24.220 -12.134 17.675 1.00 25.00 N ATOM 257 CA VAL A 17 24.251 -11.329 18.880 1.00 25.00 C ATOM 258 C VAL A 17 24.751 -9.981 18.415 1.00 25.00 C ATOM 259 O VAL A 17 25.773 -9.894 17.732 1.00 25.00 O ATOM 260 CB VAL A 17 25.194 -11.930 19.959 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.248 -11.032 21.205 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.706 -13.339 20.357 1.00 25.00 C ATOM 0 H VAL A 17 25.142 -12.340 17.290 1.00 25.00 H new ATOM 0 HA VAL A 17 23.272 -11.276 19.355 1.00 25.00 H new ATOM 0 HB VAL A 17 26.197 -11.996 19.536 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.915 -11.475 21.944 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.619 -10.046 20.927 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.248 -10.937 21.629 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.372 -13.754 21.114 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.695 -13.274 20.759 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.706 -13.985 19.479 1.00 25.00 H new ATOM 272 N ALA A 18 23.986 -8.949 18.720 1.00 25.00 N ATOM 273 CA ALA A 18 24.318 -7.601 18.312 1.00 25.00 C ATOM 274 C ALA A 18 25.439 -7.083 19.207 1.00 25.00 C ATOM 275 O ALA A 18 25.350 -7.167 20.429 1.00 25.00 O ATOM 276 CB ALA A 18 23.086 -6.717 18.422 1.00 25.00 C ATOM 0 H ALA A 18 23.121 -9.023 19.255 1.00 25.00 H new ATOM 0 HA ALA A 18 24.654 -7.589 17.275 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.338 -5.702 18.114 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.299 -7.107 17.776 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.736 -6.707 19.454 1.00 25.00 H new ATOM 282 N GLU A 19 26.490 -6.578 18.585 1.00 25.00 N ATOM 283 CA GLU A 19 27.650 -6.051 19.309 1.00 25.00 C ATOM 284 C GLU A 19 27.723 -4.548 19.102 1.00 25.00 C ATOM 285 O GLU A 19 28.300 -3.817 19.900 1.00 25.00 O ATOM 286 CB GLU A 19 28.925 -6.728 18.801 1.00 25.00 C ATOM 287 CG GLU A 19 28.939 -8.224 19.083 1.00 25.00 C ATOM 288 CD GLU A 19 30.165 -8.926 18.516 1.00 25.00 C ATOM 289 OE1 GLU A 19 29.983 -9.785 17.619 1.00 25.00 O ATOM 290 OE2 GLU A 19 31.294 -8.629 18.944 1.00 25.00 O ATOM 0 H GLU A 19 26.571 -6.518 17.570 1.00 25.00 H new ATOM 0 HA GLU A 19 27.551 -6.259 20.374 1.00 25.00 H new ATOM 0 HB2 GLU A 19 29.018 -6.562 17.728 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.792 -6.264 19.272 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.901 -8.385 20.160 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.041 -8.676 18.661 1.00 25.00 H new ATOM 297 N SER A 20 27.082 -4.094 18.037 1.00 25.00 N ATOM 298 CA SER A 20 26.971 -2.673 17.732 1.00 25.00 C ATOM 299 C SER A 20 25.569 -2.232 18.122 1.00 25.00 C ATOM 300 O SER A 20 24.618 -3.005 17.998 1.00 25.00 O ATOM 301 CB SER A 20 27.195 -2.451 16.230 1.00 25.00 C ATOM 302 OG SER A 20 26.883 -1.124 15.848 1.00 25.00 O ATOM 0 H SER A 20 26.623 -4.700 17.357 1.00 25.00 H new ATOM 0 HA SER A 20 27.717 -2.097 18.279 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.234 -2.668 15.980 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.579 -3.148 15.662 1.00 25.00 H new ATOM 0 HG SER A 20 27.038 -1.015 14.886 1.00 25.00 H new ATOM 308 N PRO A 21 25.405 -0.972 18.567 1.00 25.00 N ATOM 309 CA PRO A 21 24.053 -0.501 18.892 1.00 25.00 C ATOM 310 C PRO A 21 23.164 -0.373 17.654 1.00 25.00 C ATOM 311 O PRO A 21 21.937 -0.270 17.766 1.00 25.00 O ATOM 312 CB PRO A 21 24.318 0.864 19.535 1.00 25.00 C ATOM 313 CG PRO A 21 25.591 1.316 18.905 1.00 25.00 C ATOM 314 CD PRO A 21 26.413 0.086 18.785 1.00 25.00 C ATOM 0 HA PRO A 21 23.511 -1.192 19.538 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.505 1.563 19.339 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.415 0.784 20.618 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.411 1.768 17.930 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.090 2.067 19.517 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.116 0.150 17.954 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.000 -0.096 19.685 1.00 25.00 H new ATOM 322 N ASP A 22 23.786 -0.408 16.485 1.00 25.00 N ATOM 323 CA ASP A 22 23.098 -0.304 15.213 1.00 25.00 C ATOM 324 C ASP A 22 22.786 -1.682 14.669 1.00 25.00 C ATOM 325 O ASP A 22 22.258 -1.789 13.592 1.00 25.00 O ATOM 326 CB ASP A 22 24.000 0.420 14.200 1.00 25.00 C ATOM 327 CG ASP A 22 24.105 1.903 14.473 1.00 25.00 C ATOM 328 OD1 ASP A 22 23.393 2.682 13.803 1.00 25.00 O ATOM 329 OD2 ASP A 22 24.881 2.290 15.372 1.00 25.00 O ATOM 0 H ASP A 22 24.797 -0.511 16.395 1.00 25.00 H new ATOM 0 HA ASP A 22 22.172 0.250 15.366 1.00 25.00 H new ATOM 0 HB2 ASP A 22 24.996 -0.022 14.225 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.608 0.266 13.195 1.00 25.00 H new ATOM 334 N GLU A 23 23.153 -2.740 15.382 1.00 25.00 N ATOM 335 CA GLU A 23 22.989 -4.108 14.883 1.00 25.00 C ATOM 336 C GLU A 23 21.771 -4.808 15.499 1.00 25.00 C ATOM 337 O GLU A 23 21.398 -4.551 16.644 1.00 25.00 O ATOM 338 CB GLU A 23 24.272 -4.899 15.182 1.00 25.00 C ATOM 339 CG GLU A 23 24.336 -6.273 14.535 1.00 25.00 C ATOM 340 CD GLU A 23 25.612 -7.024 14.858 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.791 -8.123 14.284 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.409 -6.579 15.719 1.00 25.00 O ATOM 0 H GLU A 23 23.568 -2.681 16.312 1.00 25.00 H new ATOM 0 HA GLU A 23 22.814 -4.065 13.808 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.129 -4.315 14.848 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.367 -5.016 16.262 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.481 -6.863 14.865 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.250 -6.163 13.454 1.00 25.00 H new ATOM 349 N LEU A 24 21.157 -5.709 14.740 1.00 25.00 N ATOM 350 CA LEU A 24 20.051 -6.516 15.250 1.00 25.00 C ATOM 351 C LEU A 24 20.537 -7.837 15.813 1.00 25.00 C ATOM 352 O LEU A 24 21.425 -8.483 15.260 1.00 25.00 O ATOM 353 CB LEU A 24 19.041 -6.831 14.148 1.00 25.00 C ATOM 354 CG LEU A 24 18.183 -5.652 13.666 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.273 -6.110 12.538 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.353 -5.077 14.810 1.00 25.00 C ATOM 0 H LEU A 24 21.405 -5.900 13.769 1.00 25.00 H new ATOM 0 HA LEU A 24 19.582 -5.925 16.037 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.581 -7.236 13.292 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.376 -7.617 14.506 1.00 25.00 H new ATOM 0 HG LEU A 24 18.845 -4.867 13.301 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.665 -5.272 12.198 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.878 -6.479 11.710 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.623 -6.908 12.896 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.755 -4.244 14.442 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.694 -5.850 15.206 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.017 -4.726 15.600 1.00 25.00 H new ATOM 368 N SER A 25 19.886 -8.274 16.875 1.00 25.00 N ATOM 369 CA SER A 25 20.139 -9.572 17.457 1.00 25.00 C ATOM 370 C SER A 25 18.918 -10.412 17.142 1.00 25.00 C ATOM 371 O SER A 25 17.785 -9.932 17.204 1.00 25.00 O ATOM 372 CB SER A 25 20.345 -9.457 18.966 1.00 25.00 C ATOM 373 OG SER A 25 19.276 -8.747 19.566 1.00 25.00 O ATOM 0 H SER A 25 19.166 -7.735 17.357 1.00 25.00 H new ATOM 0 HA SER A 25 21.046 -10.021 17.053 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.418 -10.452 19.405 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.287 -8.948 19.171 1.00 25.00 H new ATOM 0 HG SER A 25 19.426 -8.686 20.533 1.00 25.00 H new ATOM 379 N PHE A 26 19.161 -11.648 16.758 1.00 25.00 N ATOM 380 CA PHE A 26 18.087 -12.574 16.393 1.00 25.00 C ATOM 381 C PHE A 26 18.497 -14.029 16.500 1.00 25.00 C ATOM 382 O PHE A 26 19.671 -14.351 16.697 1.00 25.00 O ATOM 383 CB PHE A 26 17.596 -12.293 14.972 1.00 25.00 C ATOM 384 CG PHE A 26 18.675 -12.260 13.936 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.065 -11.029 13.391 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.273 -13.443 13.453 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.007 -10.965 12.365 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.240 -13.387 12.412 1.00 25.00 C ATOM 389 CZ PHE A 26 20.593 -12.151 11.857 1.00 25.00 C ATOM 0 H PHE A 26 20.098 -12.045 16.687 1.00 25.00 H new ATOM 0 HA PHE A 26 17.283 -12.405 17.110 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.868 -13.056 14.696 1.00 25.00 H new ATOM 0 HB3 PHE A 26 17.074 -11.336 14.965 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.630 -10.117 13.771 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.995 -14.397 13.876 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.291 -10.007 11.956 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.701 -14.295 12.051 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.307 -12.102 11.048 1.00 25.00 H new ATOM 399 N ARG A 27 17.519 -14.907 16.353 1.00 25.00 N ATOM 400 CA ARG A 27 17.707 -16.338 16.441 1.00 25.00 C ATOM 401 C ARG A 27 17.663 -16.962 15.049 1.00 25.00 C ATOM 402 O ARG A 27 17.039 -16.437 14.131 1.00 25.00 O ATOM 403 CB ARG A 27 16.572 -16.903 17.309 1.00 25.00 C ATOM 404 CG ARG A 27 16.852 -18.246 17.936 1.00 25.00 C ATOM 405 CD ARG A 27 17.786 -18.109 19.137 1.00 25.00 C ATOM 406 NE ARG A 27 18.461 -19.384 19.429 1.00 25.00 N ATOM 407 CZ ARG A 27 18.009 -20.335 20.240 1.00 25.00 C ATOM 408 NH1 ARG A 27 16.869 -20.232 20.881 1.00 25.00 N ATOM 409 NH2 ARG A 27 18.720 -21.414 20.402 1.00 25.00 N ATOM 0 H ARG A 27 16.554 -14.635 16.165 1.00 25.00 H new ATOM 0 HA ARG A 27 18.677 -16.568 16.882 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.352 -16.188 18.102 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.674 -16.986 16.696 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.915 -18.706 18.251 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.300 -18.909 17.197 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.529 -17.337 18.938 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.218 -17.786 20.009 1.00 25.00 H new ATOM 0 HE ARG A 27 19.355 -19.553 18.968 1.00 25.00 H new ATOM 0 HH11 ARG A 27 16.293 -19.398 20.766 1.00 25.00 H new ATOM 0 HH12 ARG A 27 16.559 -20.986 21.494 1.00 25.00 H new ATOM 0 HH21 ARG A 27 19.608 -21.518 19.910 1.00 25.00 H new ATOM 0 HH22 ARG A 27 18.389 -22.155 21.020 1.00 25.00 H new ATOM 423 N LYS A 28 18.311 -18.104 14.910 1.00 25.00 N ATOM 424 CA LYS A 28 18.282 -18.884 13.682 1.00 25.00 C ATOM 425 C LYS A 28 16.833 -19.211 13.333 1.00 25.00 C ATOM 426 O LYS A 28 16.094 -19.736 14.154 1.00 25.00 O ATOM 427 CB LYS A 28 19.091 -20.161 13.921 1.00 25.00 C ATOM 428 CG LYS A 28 19.153 -21.132 12.760 1.00 25.00 C ATOM 429 CD LYS A 28 20.258 -22.159 13.041 1.00 25.00 C ATOM 430 CE LYS A 28 20.366 -23.241 11.974 1.00 25.00 C ATOM 431 NZ LYS A 28 21.656 -23.989 12.162 1.00 25.00 N ATOM 0 H LYS A 28 18.876 -18.521 15.650 1.00 25.00 H new ATOM 0 HA LYS A 28 18.715 -18.330 12.849 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.109 -19.878 14.188 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.668 -20.680 14.781 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.193 -21.633 12.634 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.359 -20.599 11.832 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.214 -21.641 13.120 1.00 25.00 H new ATOM 0 HD3 LYS A 28 20.070 -22.629 14.006 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.521 -23.925 12.045 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.332 -22.794 10.980 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.737 -24.730 11.437 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 22.456 -23.330 12.074 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.670 -24.426 13.106 1.00 25.00 H new ATOM 445 N GLY A 29 16.440 -18.880 12.111 1.00 25.00 N ATOM 446 CA GLY A 29 15.081 -19.111 11.648 1.00 25.00 C ATOM 447 C GLY A 29 14.196 -17.876 11.637 1.00 25.00 C ATOM 448 O GLY A 29 13.144 -17.900 10.993 1.00 25.00 O ATOM 0 H GLY A 29 17.050 -18.447 11.418 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.120 -19.522 10.639 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.619 -19.867 12.283 1.00 25.00 H new ATOM 452 N ASP A 30 14.613 -16.807 12.308 1.00 25.00 N ATOM 453 CA ASP A 30 13.813 -15.574 12.386 1.00 25.00 C ATOM 454 C ASP A 30 13.701 -14.914 11.022 1.00 25.00 C ATOM 455 O ASP A 30 14.570 -15.099 10.164 1.00 25.00 O ATOM 456 CB ASP A 30 14.442 -14.566 13.357 1.00 25.00 C ATOM 457 CG ASP A 30 14.159 -14.896 14.815 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.852 -14.342 15.695 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.233 -15.688 15.083 1.00 25.00 O ATOM 0 H ASP A 30 15.501 -16.763 12.809 1.00 25.00 H new ATOM 0 HA ASP A 30 12.824 -15.859 12.744 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.520 -14.539 13.198 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.062 -13.569 13.135 1.00 25.00 H new ATOM 464 N ILE A 31 12.644 -14.133 10.838 1.00 25.00 N ATOM 465 CA ILE A 31 12.403 -13.420 9.583 1.00 25.00 C ATOM 466 C ILE A 31 12.439 -11.926 9.828 1.00 25.00 C ATOM 467 O ILE A 31 11.688 -11.417 10.648 1.00 25.00 O ATOM 468 CB ILE A 31 11.008 -13.750 8.977 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.859 -15.261 8.721 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.787 -12.960 7.656 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.914 -15.871 7.826 1.00 25.00 C ATOM 0 H ILE A 31 11.930 -13.974 11.549 1.00 25.00 H new ATOM 0 HA ILE A 31 13.182 -13.736 8.890 1.00 25.00 H new ATOM 0 HB ILE A 31 10.250 -13.449 9.700 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.876 -15.779 9.680 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.880 -15.443 8.278 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.807 -13.203 7.246 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.841 -11.890 7.858 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.559 -13.232 6.936 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.720 -16.937 7.709 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.886 -15.388 6.849 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.898 -15.729 8.274 1.00 25.00 H new ATOM 483 N MET A 32 13.276 -11.227 9.078 1.00 25.00 N ATOM 484 CA MET A 32 13.377 -9.774 9.173 1.00 25.00 C ATOM 485 C MET A 32 13.193 -9.156 7.803 1.00 25.00 C ATOM 486 O MET A 32 13.408 -9.808 6.776 1.00 25.00 O ATOM 487 CB MET A 32 14.726 -9.366 9.769 1.00 25.00 C ATOM 488 CG MET A 32 15.935 -9.906 9.027 1.00 25.00 C ATOM 489 SD MET A 32 17.231 -10.329 10.195 1.00 25.00 S ATOM 490 CE MET A 32 16.522 -11.824 10.995 1.00 25.00 C ATOM 0 H MET A 32 13.902 -11.645 8.390 1.00 25.00 H new ATOM 0 HA MET A 32 12.591 -9.409 9.834 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.785 -8.278 9.789 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.769 -9.707 10.803 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.654 -10.786 8.448 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.300 -9.162 8.319 1.00 25.00 H new ATOM 0 HE1 MET A 32 17.329 -12.460 11.358 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.891 -11.524 11.832 1.00 25.00 H new ATOM 0 HE3 MET A 32 15.924 -12.376 10.270 1.00 25.00 H new ATOM 500 N THR A 33 12.780 -7.902 7.797 1.00 25.00 N ATOM 501 CA THR A 33 12.541 -7.165 6.563 1.00 25.00 C ATOM 502 C THR A 33 13.801 -6.419 6.159 1.00 25.00 C ATOM 503 O THR A 33 14.213 -5.506 6.849 1.00 25.00 O ATOM 504 CB THR A 33 11.406 -6.146 6.759 1.00 25.00 C ATOM 505 OG1 THR A 33 10.201 -6.841 7.092 1.00 25.00 O ATOM 506 CG2 THR A 33 11.161 -5.340 5.508 1.00 25.00 C ATOM 0 H THR A 33 12.600 -7.363 8.644 1.00 25.00 H new ATOM 0 HA THR A 33 12.261 -7.876 5.786 1.00 25.00 H new ATOM 0 HB THR A 33 11.701 -5.467 7.559 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.475 -6.195 7.220 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.352 -4.631 5.685 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.068 -4.797 5.241 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.885 -6.009 4.693 1.00 25.00 H new ATOM 514 N VAL A 34 14.406 -6.802 5.049 1.00 25.00 N ATOM 515 CA VAL A 34 15.613 -6.144 4.548 1.00 25.00 C ATOM 516 C VAL A 34 15.221 -4.858 3.859 1.00 25.00 C ATOM 517 O VAL A 34 14.407 -4.849 2.935 1.00 25.00 O ATOM 518 CB VAL A 34 16.388 -7.025 3.559 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.729 -6.383 3.178 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.614 -8.393 4.170 1.00 25.00 C ATOM 0 H VAL A 34 14.081 -7.574 4.467 1.00 25.00 H new ATOM 0 HA VAL A 34 16.264 -5.950 5.400 1.00 25.00 H new ATOM 0 HB VAL A 34 15.798 -7.127 2.648 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.256 -7.030 2.476 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.549 -5.414 2.713 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.336 -6.249 4.074 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.164 -9.019 3.468 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.188 -8.290 5.091 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.652 -8.856 4.392 1.00 25.00 H new ATOM 530 N LEU A 35 15.791 -3.773 4.338 1.00 25.00 N ATOM 531 CA LEU A 35 15.499 -2.450 3.836 1.00 25.00 C ATOM 532 C LEU A 35 16.530 -2.070 2.794 1.00 25.00 C ATOM 533 O LEU A 35 16.176 -1.658 1.703 1.00 25.00 O ATOM 534 CB LEU A 35 15.512 -1.470 5.000 1.00 25.00 C ATOM 535 CG LEU A 35 14.458 -1.779 6.074 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.713 -0.894 7.249 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.032 -1.569 5.552 1.00 25.00 C ATOM 0 H LEU A 35 16.476 -3.786 5.094 1.00 25.00 H new ATOM 0 HA LEU A 35 14.515 -2.427 3.368 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.500 -1.477 5.460 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.346 -0.463 4.618 1.00 25.00 H new ATOM 0 HG LEU A 35 14.541 -2.828 6.359 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.975 -1.097 8.025 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.712 -1.087 7.640 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.639 0.149 6.942 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.318 -1.798 6.343 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.908 -0.532 5.240 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.855 -2.227 4.701 1.00 25.00 H new ATOM 549 N GLU A 36 17.798 -2.290 3.087 1.00 25.00 N ATOM 550 CA GLU A 36 18.845 -2.084 2.088 1.00 25.00 C ATOM 551 C GLU A 36 20.016 -2.985 2.409 1.00 25.00 C ATOM 552 O GLU A 36 20.043 -3.613 3.463 1.00 25.00 O ATOM 553 CB GLU A 36 19.261 -0.607 1.998 1.00 25.00 C ATOM 554 CG GLU A 36 20.166 -0.100 3.051 1.00 25.00 C ATOM 555 CD GLU A 36 20.306 1.418 2.999 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.811 1.999 3.984 1.00 25.00 O ATOM 557 OE2 GLU A 36 19.876 2.033 2.003 1.00 25.00 O ATOM 0 H GLU A 36 18.132 -2.608 3.997 1.00 25.00 H new ATOM 0 HA GLU A 36 18.458 -2.347 1.104 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.742 -0.449 1.033 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.356 0.001 2.007 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.787 -0.396 4.029 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.148 -0.559 2.938 1.00 25.00 H new ATOM 564 N ARG A 37 20.970 -3.081 1.500 1.00 25.00 N ATOM 565 CA ARG A 37 22.140 -3.929 1.690 1.00 25.00 C ATOM 566 C ARG A 37 23.338 -3.060 1.461 1.00 25.00 C ATOM 567 O ARG A 37 23.246 -2.109 0.695 1.00 25.00 O ATOM 568 CB ARG A 37 22.138 -5.074 0.686 1.00 25.00 C ATOM 569 CG ARG A 37 20.926 -5.973 0.823 1.00 25.00 C ATOM 570 CD ARG A 37 21.051 -7.205 -0.048 1.00 25.00 C ATOM 571 NE ARG A 37 21.179 -6.839 -1.468 1.00 25.00 N ATOM 572 CZ ARG A 37 21.227 -7.695 -2.480 1.00 25.00 C ATOM 573 NH1 ARG A 37 21.142 -8.992 -2.302 1.00 25.00 N ATOM 574 NH2 ARG A 37 21.363 -7.236 -3.692 1.00 25.00 N ATOM 0 H ARG A 37 20.959 -2.578 0.613 1.00 25.00 H new ATOM 0 HA ARG A 37 22.144 -4.364 2.689 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.169 -4.666 -0.324 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.042 -5.668 0.818 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.809 -6.272 1.865 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.028 -5.420 0.547 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.920 -7.786 0.261 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.177 -7.842 0.089 1.00 25.00 H new ATOM 0 HE ARG A 37 21.235 -5.846 -1.692 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.035 -9.372 -1.361 1.00 25.00 H new ATOM 0 HH12 ARG A 37 21.183 -9.621 -3.104 1.00 25.00 H new ATOM 0 HH21 ARG A 37 21.431 -6.231 -3.852 1.00 25.00 H new ATOM 0 HH22 ARG A 37 21.402 -7.882 -4.481 1.00 25.00 H new ATOM 588 N ASP A 38 24.427 -3.389 2.142 1.00 25.00 N ATOM 589 CA ASP A 38 25.696 -2.675 2.029 1.00 25.00 C ATOM 590 C ASP A 38 25.446 -1.212 2.429 1.00 25.00 C ATOM 591 O ASP A 38 25.963 -0.248 1.859 1.00 25.00 O ATOM 592 CB ASP A 38 26.272 -2.908 0.629 1.00 25.00 C ATOM 593 CG ASP A 38 26.229 -4.397 0.243 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.555 -4.742 -0.759 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.714 -5.240 1.048 1.00 25.00 O ATOM 0 H ASP A 38 24.457 -4.170 2.798 1.00 25.00 H new ATOM 0 HA ASP A 38 26.467 -3.041 2.707 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.708 -2.326 -0.099 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.301 -2.551 0.594 1.00 25.00 H new ATOM 600 N THR A 39 24.586 -1.095 3.435 1.00 25.00 N ATOM 601 CA THR A 39 24.130 0.181 3.988 1.00 25.00 C ATOM 602 C THR A 39 25.298 0.922 4.614 1.00 25.00 C ATOM 603 O THR A 39 26.198 0.304 5.148 1.00 25.00 O ATOM 604 CB THR A 39 23.042 -0.063 5.071 1.00 25.00 C ATOM 605 OG1 THR A 39 22.673 1.170 5.692 1.00 25.00 O ATOM 606 CG2 THR A 39 23.489 -1.025 6.122 1.00 25.00 C ATOM 0 H THR A 39 24.175 -1.903 3.902 1.00 25.00 H new ATOM 0 HA THR A 39 23.709 0.779 3.180 1.00 25.00 H new ATOM 0 HB THR A 39 22.184 -0.498 4.559 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.942 1.584 5.188 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.693 -1.160 6.854 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.725 -1.984 5.661 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.376 -0.634 6.620 1.00 25.00 H new ATOM 614 N GLN A 40 25.287 2.250 4.524 1.00 25.00 N ATOM 615 CA GLN A 40 26.365 3.118 5.047 1.00 25.00 C ATOM 616 C GLN A 40 27.739 2.797 4.449 1.00 25.00 C ATOM 617 O GLN A 40 28.763 3.203 4.978 1.00 25.00 O ATOM 618 CB GLN A 40 26.451 3.060 6.584 1.00 25.00 C ATOM 619 CG GLN A 40 25.115 2.941 7.291 1.00 25.00 C ATOM 620 CD GLN A 40 25.228 3.098 8.800 1.00 25.00 C ATOM 621 OE1 GLN A 40 26.232 3.556 9.319 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.198 2.705 9.506 1.00 25.00 N ATOM 0 H GLN A 40 24.527 2.769 4.084 1.00 25.00 H new ATOM 0 HA GLN A 40 26.094 4.128 4.739 1.00 25.00 H new ATOM 0 HB2 GLN A 40 27.073 2.211 6.867 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.956 3.958 6.940 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.435 3.699 6.902 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.674 1.970 7.064 1.00 25.00 H new ATOM 0 HE21 GLN A 40 23.374 2.327 9.039 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.219 2.777 10.523 1.00 25.00 H new ATOM 631 N GLY A 41 27.745 2.045 3.358 1.00 25.00 N ATOM 632 CA GLY A 41 28.990 1.628 2.731 1.00 25.00 C ATOM 633 C GLY A 41 29.609 0.443 3.449 1.00 25.00 C ATOM 634 O GLY A 41 30.769 0.102 3.225 1.00 25.00 O ATOM 0 H GLY A 41 26.903 1.712 2.889 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.803 1.366 1.690 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.693 2.461 2.729 1.00 25.00 H new ATOM 638 N LEU A 42 28.846 -0.179 4.335 1.00 25.00 N ATOM 639 CA LEU A 42 29.320 -1.302 5.116 1.00 25.00 C ATOM 640 C LEU A 42 29.074 -2.574 4.323 1.00 25.00 C ATOM 641 O LEU A 42 28.013 -3.187 4.422 1.00 25.00 O ATOM 642 CB LEU A 42 28.574 -1.355 6.448 1.00 25.00 C ATOM 643 CG LEU A 42 28.656 -0.130 7.354 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.577 -0.236 8.426 1.00 25.00 C ATOM 645 CD2 LEU A 42 30.006 -0.004 8.001 1.00 25.00 C ATOM 0 H LEU A 42 27.880 0.084 4.530 1.00 25.00 H new ATOM 0 HA LEU A 42 30.385 -1.197 5.323 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.522 -1.546 6.236 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.947 -2.212 7.008 1.00 25.00 H new ATOM 0 HG LEU A 42 28.501 0.760 6.744 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.627 0.635 9.080 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.596 -0.279 7.952 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.736 -1.140 9.014 1.00 25.00 H new ATOM 0 HD21 LEU A 42 30.023 0.880 8.638 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.204 -0.890 8.605 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.771 0.089 7.231 1.00 25.00 H new ATOM 657 N ASP A 43 30.047 -2.956 3.518 1.00 25.00 N ATOM 658 CA ASP A 43 29.919 -4.145 2.674 1.00 25.00 C ATOM 659 C ASP A 43 29.579 -5.370 3.511 1.00 25.00 C ATOM 660 O ASP A 43 30.242 -5.684 4.505 1.00 25.00 O ATOM 661 CB ASP A 43 31.217 -4.425 1.918 1.00 25.00 C ATOM 662 CG ASP A 43 31.389 -3.547 0.688 1.00 25.00 C ATOM 663 OD1 ASP A 43 32.521 -3.078 0.448 1.00 25.00 O ATOM 664 OD2 ASP A 43 30.412 -3.393 -0.076 1.00 25.00 O ATOM 0 H ASP A 43 30.937 -2.466 3.425 1.00 25.00 H new ATOM 0 HA ASP A 43 29.116 -3.947 1.963 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.062 -4.271 2.589 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.237 -5.472 1.616 1.00 25.00 H new ATOM 669 N GLY A 44 28.528 -6.068 3.109 1.00 25.00 N ATOM 670 CA GLY A 44 28.115 -7.267 3.814 1.00 25.00 C ATOM 671 C GLY A 44 27.136 -7.019 4.946 1.00 25.00 C ATOM 672 O GLY A 44 26.513 -7.972 5.424 1.00 25.00 O ATOM 0 H GLY A 44 27.950 -5.826 2.304 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.661 -7.956 3.101 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.000 -7.761 4.216 1.00 25.00 H new ATOM 676 N TRP A 45 26.963 -5.776 5.373 1.00 25.00 N ATOM 677 CA TRP A 45 25.997 -5.444 6.405 1.00 25.00 C ATOM 678 C TRP A 45 24.693 -5.045 5.727 1.00 25.00 C ATOM 679 O TRP A 45 24.673 -4.210 4.832 1.00 25.00 O ATOM 680 CB TRP A 45 26.542 -4.286 7.229 1.00 25.00 C ATOM 681 CG TRP A 45 27.598 -4.711 8.216 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.931 -4.476 8.160 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.393 -5.440 9.434 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.579 -4.974 9.248 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.663 -5.586 10.061 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.260 -5.974 10.070 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.818 -6.244 11.298 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.408 -6.620 11.308 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.683 -6.753 11.910 1.00 25.00 C ATOM 0 H TRP A 45 27.485 -4.976 5.015 1.00 25.00 H new ATOM 0 HA TRP A 45 25.818 -6.294 7.063 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.960 -3.535 6.558 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.721 -3.811 7.766 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.420 -3.956 7.350 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.581 -4.903 9.428 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.286 -5.889 9.612 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.791 -6.348 11.755 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.538 -7.021 11.808 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.772 -7.259 12.860 1.00 25.00 H new ATOM 700 N TRP A 46 23.596 -5.659 6.136 1.00 25.00 N ATOM 701 CA TRP A 46 22.298 -5.409 5.514 1.00 25.00 C ATOM 702 C TRP A 46 21.364 -4.766 6.526 1.00 25.00 C ATOM 703 O TRP A 46 21.142 -5.312 7.597 1.00 25.00 O ATOM 704 CB TRP A 46 21.699 -6.724 4.992 1.00 25.00 C ATOM 705 CG TRP A 46 22.530 -7.391 3.889 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.656 -6.911 3.291 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.283 -8.663 3.253 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.129 -7.760 2.339 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.320 -8.860 2.289 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.293 -9.656 3.394 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.383 -10.008 1.475 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.369 -10.822 2.593 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.407 -10.980 1.635 1.00 25.00 C ATOM 0 H TRP A 46 23.574 -6.337 6.898 1.00 25.00 H new ATOM 0 HA TRP A 46 22.428 -4.731 4.670 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.594 -7.419 5.825 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.697 -6.529 4.611 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.118 -5.968 3.543 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.952 -7.601 1.758 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.488 -9.530 4.103 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.171 -10.128 0.746 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.629 -11.600 2.712 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.436 -11.869 1.023 1.00 25.00 H new ATOM 724 N LEU A 47 20.822 -3.609 6.190 1.00 25.00 N ATOM 725 CA LEU A 47 19.885 -2.912 7.061 1.00 25.00 C ATOM 726 C LEU A 47 18.578 -3.666 7.030 1.00 25.00 C ATOM 727 O LEU A 47 17.992 -3.839 5.969 1.00 25.00 O ATOM 728 CB LEU A 47 19.659 -1.484 6.553 1.00 25.00 C ATOM 729 CG LEU A 47 18.657 -0.619 7.331 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.049 -0.470 8.793 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.541 0.755 6.682 1.00 25.00 C ATOM 0 H LEU A 47 21.015 -3.127 5.312 1.00 25.00 H new ATOM 0 HA LEU A 47 20.281 -2.863 8.076 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.620 -0.969 6.549 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.324 -1.542 5.517 1.00 25.00 H new ATOM 0 HG LEU A 47 17.692 -1.124 7.298 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.313 0.149 9.306 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.086 -1.453 9.262 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.030 0.001 8.861 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.828 1.362 7.240 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.516 1.243 6.687 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.196 0.644 5.654 1.00 25.00 H new ATOM 743 N CYS A 48 18.116 -4.111 8.183 1.00 25.00 N ATOM 744 CA CYS A 48 16.861 -4.831 8.274 1.00 25.00 C ATOM 745 C CYS A 48 16.033 -4.330 9.435 1.00 25.00 C ATOM 746 O CYS A 48 16.504 -3.548 10.255 1.00 25.00 O ATOM 747 CB CYS A 48 17.119 -6.335 8.435 1.00 25.00 C ATOM 748 SG CYS A 48 18.340 -7.010 7.275 1.00 25.00 S ATOM 0 H CYS A 48 18.595 -3.985 9.075 1.00 25.00 H new ATOM 0 HA CYS A 48 16.307 -4.658 7.351 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.457 -6.527 9.453 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.178 -6.869 8.306 1.00 25.00 H new ATOM 0 HG CYS A 48 19.461 -6.364 7.401 1.00 25.00 H new ATOM 754 N SER A 49 14.799 -4.794 9.503 1.00 25.00 N ATOM 755 CA SER A 49 13.890 -4.441 10.577 1.00 25.00 C ATOM 756 C SER A 49 13.305 -5.725 11.165 1.00 25.00 C ATOM 757 O SER A 49 12.897 -6.633 10.434 1.00 25.00 O ATOM 758 CB SER A 49 12.809 -3.502 10.034 1.00 25.00 C ATOM 759 OG SER A 49 11.548 -4.139 9.921 1.00 25.00 O ATOM 0 H SER A 49 14.398 -5.428 8.812 1.00 25.00 H new ATOM 0 HA SER A 49 14.410 -3.912 11.376 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.719 -2.637 10.692 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.113 -3.129 9.056 1.00 25.00 H new ATOM 0 HG SER A 49 10.890 -3.502 9.572 1.00 25.00 H new ATOM 765 N LEU A 50 13.336 -5.818 12.486 1.00 25.00 N ATOM 766 CA LEU A 50 12.867 -6.994 13.216 1.00 25.00 C ATOM 767 C LEU A 50 12.338 -6.518 14.561 1.00 25.00 C ATOM 768 O LEU A 50 12.973 -5.692 15.200 1.00 25.00 O ATOM 769 CB LEU A 50 14.029 -7.962 13.459 1.00 25.00 C ATOM 770 CG LEU A 50 13.642 -9.271 14.163 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.119 -10.300 13.198 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.807 -9.812 14.924 1.00 25.00 C ATOM 0 H LEU A 50 13.690 -5.075 13.089 1.00 25.00 H new ATOM 0 HA LEU A 50 12.094 -7.507 12.643 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.488 -8.204 12.500 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.787 -7.455 14.057 1.00 25.00 H new ATOM 0 HG LEU A 50 12.835 -9.042 14.859 1.00 25.00 H new ATOM 0 HD11 LEU A 50 12.858 -11.209 13.741 1.00 25.00 H new ATOM 0 HD12 LEU A 50 12.234 -9.911 12.696 1.00 25.00 H new ATOM 0 HD13 LEU A 50 13.886 -10.527 12.457 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.519 -10.740 15.418 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.631 -10.007 14.238 1.00 25.00 H new ATOM 0 HD23 LEU A 50 15.122 -9.085 15.672 1.00 25.00 H new ATOM 784 N HIS A 51 11.175 -7.016 14.970 1.00 25.00 N ATOM 785 CA HIS A 51 10.547 -6.660 16.260 1.00 25.00 C ATOM 786 C HIS A 51 10.340 -5.140 16.407 1.00 25.00 C ATOM 787 O HIS A 51 10.338 -4.610 17.509 1.00 25.00 O ATOM 788 CB HIS A 51 11.392 -7.174 17.449 1.00 25.00 C ATOM 789 CG HIS A 51 11.679 -8.647 17.406 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.717 -9.251 18.074 1.00 25.00 N ATOM 791 CD2 HIS A 51 11.043 -9.662 16.758 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.672 -10.557 17.818 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.667 -10.862 17.023 1.00 25.00 N ATOM 0 H HIS A 51 10.631 -7.682 14.421 1.00 25.00 H new ATOM 0 HA HIS A 51 9.570 -7.143 16.270 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.337 -6.631 17.471 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.871 -6.943 18.378 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.174 -9.544 16.127 1.00 25.00 H new ATOM 0 HE1 HIS A 51 13.373 -11.277 18.213 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.407 -11.786 16.678 1.00 25.00 H new ATOM 801 N GLY A 52 10.183 -4.445 15.285 1.00 25.00 N ATOM 802 CA GLY A 52 10.005 -2.998 15.315 1.00 25.00 C ATOM 803 C GLY A 52 11.290 -2.220 15.576 1.00 25.00 C ATOM 804 O GLY A 52 11.249 -1.023 15.836 1.00 25.00 O ATOM 0 H GLY A 52 10.175 -4.856 14.351 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.583 -2.674 14.363 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.278 -2.748 16.087 1.00 25.00 H new ATOM 808 N ARG A 53 12.432 -2.891 15.489 1.00 25.00 N ATOM 809 CA ARG A 53 13.736 -2.272 15.705 1.00 25.00 C ATOM 810 C ARG A 53 14.439 -2.384 14.364 1.00 25.00 C ATOM 811 O ARG A 53 14.327 -3.401 13.695 1.00 25.00 O ATOM 812 CB ARG A 53 14.498 -3.057 16.795 1.00 25.00 C ATOM 813 CG ARG A 53 15.502 -2.251 17.653 1.00 25.00 C ATOM 814 CD ARG A 53 16.656 -1.687 16.820 1.00 25.00 C ATOM 815 NE ARG A 53 17.839 -1.276 17.596 1.00 25.00 N ATOM 816 CZ ARG A 53 17.999 -0.103 18.202 1.00 25.00 C ATOM 817 NH1 ARG A 53 17.056 0.810 18.239 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.138 0.164 18.774 1.00 25.00 N ATOM 0 H ARG A 53 12.481 -3.885 15.266 1.00 25.00 H new ATOM 0 HA ARG A 53 13.671 -1.237 16.040 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.766 -3.511 17.463 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.038 -3.872 16.313 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.979 -1.432 18.147 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.903 -2.892 18.438 1.00 25.00 H new ATOM 0 HD2 ARG A 53 16.961 -2.439 16.092 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.292 -0.827 16.257 1.00 25.00 H new ATOM 0 HE ARG A 53 18.601 -1.949 17.675 1.00 25.00 H new ATOM 0 HH11 ARG A 53 16.157 0.633 17.791 1.00 25.00 H new ATOM 0 HH12 ARG A 53 17.223 1.696 18.716 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.892 -0.522 18.753 1.00 25.00 H new ATOM 0 HH22 ARG A 53 19.276 1.059 19.243 1.00 25.00 H new ATOM 832 N GLN A 54 15.136 -1.338 13.962 1.00 25.00 N ATOM 833 CA GLN A 54 15.891 -1.344 12.717 1.00 25.00 C ATOM 834 C GLN A 54 17.367 -1.469 13.045 1.00 25.00 C ATOM 835 O GLN A 54 17.818 -0.904 14.032 1.00 25.00 O ATOM 836 CB GLN A 54 15.655 -0.040 11.968 1.00 25.00 C ATOM 837 CG GLN A 54 14.921 -0.220 10.674 1.00 25.00 C ATOM 838 CD GLN A 54 14.686 1.095 9.951 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.567 1.419 9.592 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.737 1.844 9.725 1.00 25.00 N ATOM 0 H GLN A 54 15.197 -0.464 14.484 1.00 25.00 H new ATOM 0 HA GLN A 54 15.570 -2.180 12.095 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.090 0.639 12.606 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.616 0.435 11.769 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.489 -0.890 10.028 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.962 -0.701 10.868 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.658 1.539 10.041 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.634 2.732 9.233 1.00 25.00 H new ATOM 849 N GLY A 55 18.115 -2.181 12.219 1.00 25.00 N ATOM 850 CA GLY A 55 19.546 -2.300 12.434 1.00 25.00 C ATOM 851 C GLY A 55 20.240 -3.118 11.364 1.00 25.00 C ATOM 852 O GLY A 55 19.578 -3.763 10.556 1.00 25.00 O ATOM 0 H GLY A 55 17.760 -2.680 11.403 1.00 25.00 H new ATOM 0 HA2 GLY A 55 19.987 -1.304 12.465 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.725 -2.758 13.407 1.00 25.00 H new ATOM 856 N ILE A 56 21.561 -3.082 11.342 1.00 25.00 N ATOM 857 CA ILE A 56 22.343 -3.824 10.358 1.00 25.00 C ATOM 858 C ILE A 56 22.452 -5.282 10.789 1.00 25.00 C ATOM 859 O ILE A 56 22.255 -5.624 11.959 1.00 25.00 O ATOM 860 CB ILE A 56 23.761 -3.197 10.162 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.578 -3.303 11.466 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.607 -1.723 9.748 1.00 25.00 C ATOM 863 CD1 ILE A 56 25.959 -2.692 11.411 1.00 25.00 C ATOM 0 H ILE A 56 22.123 -2.542 12.000 1.00 25.00 H new ATOM 0 HA ILE A 56 21.831 -3.770 9.397 1.00 25.00 H new ATOM 0 HB ILE A 56 24.293 -3.740 9.381 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.017 -2.822 12.268 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.674 -4.356 11.731 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.593 -1.279 9.610 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.048 -1.664 8.814 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.071 -1.180 10.527 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.451 -2.818 12.375 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.545 -3.187 10.637 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.878 -1.630 11.181 1.00 25.00 H new ATOM 875 N VAL A 57 22.713 -6.140 9.818 1.00 25.00 N ATOM 876 CA VAL A 57 22.797 -7.585 10.025 1.00 25.00 C ATOM 877 C VAL A 57 23.898 -8.135 9.131 1.00 25.00 C ATOM 878 O VAL A 57 23.999 -7.738 7.973 1.00 25.00 O ATOM 879 CB VAL A 57 21.474 -8.265 9.586 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.553 -9.765 9.675 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.293 -7.730 10.400 1.00 25.00 C ATOM 0 H VAL A 57 22.875 -5.855 8.852 1.00 25.00 H new ATOM 0 HA VAL A 57 22.991 -7.781 11.079 1.00 25.00 H new ATOM 0 HB VAL A 57 21.313 -8.014 8.537 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.605 -10.199 9.358 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.352 -10.126 9.027 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.760 -10.058 10.704 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.375 -8.221 10.075 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.459 -7.933 11.458 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.203 -6.655 10.247 1.00 25.00 H new ATOM 891 N PRO A 58 24.706 -9.083 9.621 1.00 25.00 N ATOM 892 CA PRO A 58 25.684 -9.679 8.710 1.00 25.00 C ATOM 893 C PRO A 58 25.002 -10.573 7.664 1.00 25.00 C ATOM 894 O PRO A 58 24.396 -11.600 7.991 1.00 25.00 O ATOM 895 CB PRO A 58 26.577 -10.485 9.657 1.00 25.00 C ATOM 896 CG PRO A 58 25.670 -10.868 10.783 1.00 25.00 C ATOM 897 CD PRO A 58 24.751 -9.697 10.960 1.00 25.00 C ATOM 0 HA PRO A 58 26.238 -8.945 8.124 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.990 -11.364 9.162 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.421 -9.892 10.010 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.112 -11.775 10.549 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.235 -11.067 11.694 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.761 -10.011 11.290 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.130 -9.000 11.708 1.00 25.00 H new ATOM 905 N GLY A 59 25.120 -10.203 6.398 1.00 25.00 N ATOM 906 CA GLY A 59 24.519 -10.969 5.313 1.00 25.00 C ATOM 907 C GLY A 59 25.055 -12.385 5.236 1.00 25.00 C ATOM 908 O GLY A 59 24.397 -13.280 4.733 1.00 25.00 O ATOM 0 H GLY A 59 25.629 -9.373 6.094 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.438 -11.000 5.450 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.706 -10.461 4.367 1.00 25.00 H new ATOM 912 N ASN A 60 26.235 -12.603 5.804 1.00 25.00 N ATOM 913 CA ASN A 60 26.847 -13.934 5.842 1.00 25.00 C ATOM 914 C ASN A 60 26.020 -14.919 6.687 1.00 25.00 C ATOM 915 O ASN A 60 26.191 -16.133 6.581 1.00 25.00 O ATOM 916 CB ASN A 60 28.270 -13.840 6.414 1.00 25.00 C ATOM 917 CG ASN A 60 29.246 -14.754 5.705 1.00 25.00 C ATOM 918 OD1 ASN A 60 30.297 -14.325 5.274 1.00 25.00 O ATOM 919 ND2 ASN A 60 28.897 -16.003 5.563 1.00 25.00 N ATOM 0 H ASN A 60 26.793 -11.874 6.248 1.00 25.00 H new ATOM 0 HA ASN A 60 26.880 -14.310 4.819 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.621 -12.811 6.337 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.248 -14.091 7.474 1.00 25.00 H new ATOM 0 HD21 ASN A 60 29.515 -16.653 5.077 1.00 25.00 H new ATOM 0 HD22 ASN A 60 28.006 -16.329 5.938 1.00 25.00 H new ATOM 926 N ARG A 61 25.124 -14.400 7.521 1.00 25.00 N ATOM 927 CA ARG A 61 24.263 -15.235 8.367 1.00 25.00 C ATOM 928 C ARG A 61 22.795 -15.082 7.967 1.00 25.00 C ATOM 929 O ARG A 61 21.902 -15.561 8.676 1.00 25.00 O ATOM 930 CB ARG A 61 24.440 -14.842 9.842 1.00 25.00 C ATOM 931 CG ARG A 61 25.864 -15.022 10.366 1.00 25.00 C ATOM 932 CD ARG A 61 25.962 -14.643 11.841 1.00 25.00 C ATOM 933 NE ARG A 61 27.332 -14.822 12.353 1.00 25.00 N ATOM 934 CZ ARG A 61 27.723 -14.598 13.604 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.913 -14.161 14.530 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.967 -14.830 13.923 1.00 25.00 N ATOM 0 H ARG A 61 24.971 -13.398 7.633 1.00 25.00 H new ATOM 0 HA ARG A 61 24.554 -16.276 8.230 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.147 -13.800 9.967 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.761 -15.440 10.451 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.175 -16.058 10.233 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.549 -14.406 9.783 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.656 -13.605 11.973 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.272 -15.255 12.422 1.00 25.00 H new ATOM 0 HE ARG A 61 28.039 -15.145 11.693 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.935 -13.977 14.307 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.258 -14.004 15.477 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.618 -15.176 13.218 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.288 -14.665 14.877 1.00 25.00 H new ATOM 950 N LEU A 62 22.541 -14.421 6.845 1.00 25.00 N ATOM 951 CA LEU A 62 21.174 -14.129 6.414 1.00 25.00 C ATOM 952 C LEU A 62 20.880 -14.585 4.992 1.00 25.00 C ATOM 953 O LEU A 62 21.728 -14.521 4.113 1.00 25.00 O ATOM 954 CB LEU A 62 20.926 -12.623 6.509 1.00 25.00 C ATOM 955 CG LEU A 62 19.488 -12.208 6.833 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.023 -12.672 8.176 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.357 -10.708 6.722 1.00 25.00 C ATOM 0 H LEU A 62 23.263 -14.075 6.214 1.00 25.00 H new ATOM 0 HA LEU A 62 20.510 -14.685 7.076 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.585 -12.212 7.274 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.213 -12.165 5.562 1.00 25.00 H new ATOM 0 HG LEU A 62 18.844 -12.699 6.103 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.997 -12.343 8.339 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.067 -13.760 8.220 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.666 -12.251 8.949 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.333 -10.414 6.953 1.00 25.00 H new ATOM 0 HD22 LEU A 62 20.039 -10.230 7.425 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.604 -10.395 5.708 1.00 25.00 H new ATOM 969 N LYS A 63 19.655 -15.034 4.766 1.00 25.00 N ATOM 970 CA LYS A 63 19.236 -15.480 3.435 1.00 25.00 C ATOM 971 C LYS A 63 18.000 -14.770 2.960 1.00 25.00 C ATOM 972 O LYS A 63 16.937 -14.899 3.552 1.00 25.00 O ATOM 973 CB LYS A 63 18.968 -16.984 3.421 1.00 25.00 C ATOM 974 CG LYS A 63 18.458 -17.491 2.064 1.00 25.00 C ATOM 975 CD LYS A 63 18.429 -19.005 1.987 1.00 25.00 C ATOM 976 CE LYS A 63 17.388 -19.613 2.921 1.00 25.00 C ATOM 977 NZ LYS A 63 17.444 -21.111 2.854 1.00 25.00 N ATOM 0 H LYS A 63 18.931 -15.101 5.481 1.00 25.00 H new ATOM 0 HA LYS A 63 20.059 -15.240 2.761 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.885 -17.513 3.679 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.235 -17.224 4.191 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.455 -17.102 1.887 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.096 -17.102 1.271 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.217 -19.310 0.962 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.414 -19.398 2.239 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.568 -19.280 3.943 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.393 -19.266 2.643 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 16.730 -21.514 3.494 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 17.251 -21.422 1.881 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.389 -21.436 3.141 1.00 25.00 H new ATOM 991 N ILE A 64 18.140 -14.081 1.845 1.00 25.00 N ATOM 992 CA ILE A 64 17.031 -13.383 1.219 1.00 25.00 C ATOM 993 C ILE A 64 16.003 -14.394 0.726 1.00 25.00 C ATOM 994 O ILE A 64 16.333 -15.329 -0.012 1.00 25.00 O ATOM 995 CB ILE A 64 17.545 -12.532 0.022 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.646 -11.556 0.491 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.409 -11.757 -0.623 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.224 -10.567 1.602 1.00 25.00 C ATOM 0 H ILE A 64 19.025 -13.988 1.346 1.00 25.00 H new ATOM 0 HA ILE A 64 16.567 -12.722 1.951 1.00 25.00 H new ATOM 0 HB ILE A 64 17.963 -13.213 -0.720 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.495 -12.138 0.849 1.00 25.00 H new ATOM 0 HG13 ILE A 64 18.992 -10.984 -0.370 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.796 -11.171 -1.457 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.655 -12.454 -0.988 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.960 -11.089 0.113 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.068 -9.927 1.859 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.397 -9.952 1.247 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.909 -11.124 2.484 1.00 25.00 H new ATOM 1010 N LEU A 65 14.759 -14.216 1.137 1.00 25.00 N ATOM 1011 CA LEU A 65 13.666 -15.075 0.706 1.00 25.00 C ATOM 1012 C LEU A 65 12.964 -14.389 -0.449 1.00 25.00 C ATOM 1013 O LEU A 65 12.073 -13.577 -0.262 1.00 25.00 O ATOM 1014 CB LEU A 65 12.682 -15.316 1.850 1.00 25.00 C ATOM 1015 CG LEU A 65 13.280 -15.949 3.111 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.168 -16.125 4.124 1.00 25.00 C ATOM 1017 CD2 LEU A 65 13.970 -17.297 2.826 1.00 25.00 C ATOM 0 H LEU A 65 14.477 -13.474 1.778 1.00 25.00 H new ATOM 0 HA LEU A 65 14.056 -16.045 0.396 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.228 -14.363 2.123 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.880 -15.959 1.487 1.00 25.00 H new ATOM 0 HG LEU A 65 14.055 -15.287 3.499 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.570 -16.575 5.032 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.735 -15.153 4.362 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.397 -16.774 3.709 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.376 -17.701 3.753 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.244 -17.997 2.412 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.779 -17.148 2.111 1.00 25.00 H new ATOM 1327 N PRO A 89 29.322 -18.451 10.714 1.00 25.00 N ATOM 1328 CA PRO A 89 30.476 -17.796 10.088 1.00 25.00 C ATOM 1329 C PRO A 89 30.715 -16.406 10.679 1.00 25.00 C ATOM 1330 O PRO A 89 29.842 -15.856 11.367 1.00 25.00 O ATOM 1331 CB PRO A 89 30.066 -17.718 8.617 1.00 25.00 C ATOM 1332 CG PRO A 89 28.598 -17.619 8.656 1.00 25.00 C ATOM 1333 CD PRO A 89 28.183 -18.525 9.777 1.00 25.00 C ATOM 0 HA PRO A 89 31.413 -18.331 10.243 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.511 -16.853 8.125 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.391 -18.600 8.066 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.275 -16.594 8.836 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.155 -17.931 7.710 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.256 -18.190 10.243 1.00 25.00 H new ATOM 0 HD3 PRO A 89 28.014 -19.544 9.429 1.00 25.00 H new ATOM 1341 N PRO A 90 31.898 -15.815 10.436 1.00 25.00 N ATOM 1342 CA PRO A 90 32.142 -14.502 11.038 1.00 25.00 C ATOM 1343 C PRO A 90 31.293 -13.394 10.419 1.00 25.00 C ATOM 1344 O PRO A 90 30.745 -13.541 9.327 1.00 25.00 O ATOM 1345 CB PRO A 90 33.635 -14.275 10.769 1.00 25.00 C ATOM 1346 CG PRO A 90 33.890 -15.014 9.511 1.00 25.00 C ATOM 1347 CD PRO A 90 33.052 -16.266 9.634 1.00 25.00 C ATOM 0 HA PRO A 90 31.875 -14.478 12.094 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.864 -13.215 10.662 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.250 -14.654 11.586 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.601 -14.427 8.640 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.947 -15.253 9.398 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.743 -16.643 8.659 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.598 -17.070 10.128 1.00 25.00 H new ATOM 1355 N LYS A 91 31.202 -12.276 11.127 1.00 25.00 N ATOM 1356 CA LYS A 91 30.518 -11.088 10.624 1.00 25.00 C ATOM 1357 C LYS A 91 31.608 -10.173 10.058 1.00 25.00 C ATOM 1358 O LYS A 91 32.748 -10.216 10.531 1.00 25.00 O ATOM 1359 CB LYS A 91 29.738 -10.380 11.754 1.00 25.00 C ATOM 1360 CG LYS A 91 30.566 -10.076 13.017 1.00 25.00 C ATOM 1361 CD LYS A 91 29.803 -9.216 14.045 1.00 25.00 C ATOM 1362 CE LYS A 91 28.584 -9.932 14.643 1.00 25.00 C ATOM 1363 NZ LYS A 91 27.982 -9.130 15.759 1.00 25.00 N ATOM 0 H LYS A 91 31.597 -12.165 12.061 1.00 25.00 H new ATOM 0 HA LYS A 91 29.787 -11.350 9.859 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.335 -9.444 11.367 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.888 -11.002 12.035 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.862 -11.015 13.485 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.482 -9.561 12.729 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.482 -8.934 14.850 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.476 -8.293 13.566 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.838 -10.097 13.866 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.880 -10.913 15.014 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.013 -9.461 15.941 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.555 -9.247 16.619 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.960 -8.125 15.492 1.00 25.00 H new ATOM 1377 N PRO A 92 31.288 -9.364 9.034 1.00 25.00 N ATOM 1378 CA PRO A 92 32.324 -8.440 8.557 1.00 25.00 C ATOM 1379 C PRO A 92 32.612 -7.360 9.617 1.00 25.00 C ATOM 1380 O PRO A 92 31.818 -7.168 10.540 1.00 25.00 O ATOM 1381 CB PRO A 92 31.709 -7.867 7.274 1.00 25.00 C ATOM 1382 CG PRO A 92 30.254 -7.970 7.471 1.00 25.00 C ATOM 1383 CD PRO A 92 30.024 -9.200 8.289 1.00 25.00 C ATOM 0 HA PRO A 92 33.291 -8.908 8.371 1.00 25.00 H new ATOM 0 HB2 PRO A 92 32.014 -6.832 7.118 1.00 25.00 H new ATOM 0 HB3 PRO A 92 32.030 -8.430 6.397 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.868 -7.087 7.980 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.737 -8.038 6.514 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.175 -9.081 8.962 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.814 -10.066 7.661 1.00 25.00 H new