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= -0.0261 X(o=-0.026,f=0) 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= 1.48 K(o=1.5,f=-0.42) USER MOD Single : A 20 SER OG : rot 180:sc= 0.113 USER MOD Single : A 25 SER OG : rot 36:sc= 0.251 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -127:sc= -0.416 (180deg=-0.721) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 98:sc= 1.01 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.022) USER MOD Single : A 48 CYS SG : rot 57:sc= -0.151 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00455 X(o=-0.0045,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.131 X(o=-0.13,f=-0.028) USER MOD Single : A 60 ASN : amide:sc= 0.552 K(o=0.55,f=-1.9!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 168:sc= 1.32 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.056 1.583 -0.063 1.00 25.00 N ATOM 60 CA TYR A 5 13.752 0.396 0.370 1.00 25.00 C ATOM 61 C TYR A 5 13.308 -0.803 -0.430 1.00 25.00 C ATOM 62 O TYR A 5 12.296 -0.765 -1.115 1.00 25.00 O ATOM 63 CB TYR A 5 13.484 0.180 1.857 1.00 25.00 C ATOM 64 CG TYR A 5 14.223 1.171 2.729 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.532 2.003 3.630 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.630 1.275 2.663 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.240 2.908 4.470 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.336 2.169 3.496 1.00 25.00 C ATOM 69 CZ TYR A 5 15.639 2.974 4.396 1.00 25.00 C ATOM 70 OH TYR A 5 16.329 3.833 5.209 1.00 25.00 O ATOM 0 HA TYR A 5 14.822 0.524 0.209 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.414 0.263 2.046 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.779 -0.832 2.133 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.454 1.954 3.684 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.175 0.660 1.963 1.00 25.00 H new ATOM 0 HE1 TYR A 5 13.703 3.541 5.161 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.413 2.229 3.437 1.00 25.00 H new ATOM 0 HH TYR A 5 17.289 3.752 5.030 1.00 25.00 H new ATOM 80 N LEU A 6 14.100 -1.857 -0.338 1.00 25.00 N ATOM 81 CA LEU A 6 13.843 -3.100 -1.047 1.00 25.00 C ATOM 82 C LEU A 6 12.600 -3.773 -0.464 1.00 25.00 C ATOM 83 O LEU A 6 11.796 -4.338 -1.195 1.00 25.00 O ATOM 84 CB LEU A 6 15.057 -4.026 -0.895 1.00 25.00 C ATOM 85 CG LEU A 6 16.432 -3.499 -1.343 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.510 -4.510 -0.942 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.488 -3.256 -2.845 1.00 25.00 C ATOM 0 H LEU A 6 14.944 -1.875 0.234 1.00 25.00 H new ATOM 0 HA LEU A 6 13.674 -2.894 -2.104 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.133 -4.306 0.156 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.852 -4.939 -1.454 1.00 25.00 H new ATOM 0 HG LEU A 6 16.605 -2.542 -0.851 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.487 -4.144 -1.256 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.502 -4.640 0.140 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.309 -5.467 -1.424 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.476 -2.885 -3.117 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.294 -4.190 -3.372 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.734 -2.519 -3.123 1.00 25.00 H new ATOM 99 N ASN A 7 12.469 -3.689 0.858 1.00 25.00 N ATOM 100 CA ASN A 7 11.323 -4.235 1.604 1.00 25.00 C ATOM 101 C ASN A 7 11.059 -5.721 1.291 1.00 25.00 C ATOM 102 O ASN A 7 9.930 -6.129 1.028 1.00 25.00 O ATOM 103 CB ASN A 7 10.069 -3.371 1.358 1.00 25.00 C ATOM 104 CG ASN A 7 10.207 -1.971 1.926 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.143 -0.981 1.215 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.387 -1.886 3.216 1.00 25.00 N ATOM 0 H ASN A 7 13.161 -3.235 1.454 1.00 25.00 H new ATOM 0 HA ASN A 7 11.574 -4.195 2.664 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.880 -3.308 0.286 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.203 -3.858 1.806 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.479 -0.972 3.659 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.436 -2.734 3.781 1.00 25.00 H new ATOM 113 N VAL A 8 12.113 -6.527 1.361 1.00 25.00 N ATOM 114 CA VAL A 8 12.027 -7.970 1.101 1.00 25.00 C ATOM 115 C VAL A 8 12.129 -8.678 2.451 1.00 25.00 C ATOM 116 O VAL A 8 12.506 -8.056 3.431 1.00 25.00 O ATOM 117 CB VAL A 8 13.168 -8.446 0.100 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.719 -7.266 -0.680 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.342 -9.136 0.812 1.00 25.00 C ATOM 0 H VAL A 8 13.051 -6.205 1.599 1.00 25.00 H new ATOM 0 HA VAL A 8 11.082 -8.217 0.617 1.00 25.00 H new ATOM 0 HB VAL A 8 12.696 -9.168 -0.566 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.498 -7.611 -1.359 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.916 -6.802 -1.254 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.138 -6.536 0.012 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.087 -9.438 0.076 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.793 -8.444 1.523 1.00 25.00 H new ATOM 0 HG23 VAL A 8 13.979 -10.016 1.342 1.00 25.00 H new ATOM 129 N LEU A 9 11.836 -9.968 2.515 1.00 25.00 N ATOM 130 CA LEU A 9 12.009 -10.725 3.763 1.00 25.00 C ATOM 131 C LEU A 9 13.272 -11.573 3.672 1.00 25.00 C ATOM 132 O LEU A 9 13.623 -12.044 2.601 1.00 25.00 O ATOM 133 CB LEU A 9 10.799 -11.633 4.004 1.00 25.00 C ATOM 134 CG LEU A 9 9.445 -10.923 4.175 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.352 -11.976 4.356 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.447 -9.967 5.371 1.00 25.00 C ATOM 0 H LEU A 9 11.481 -10.515 1.731 1.00 25.00 H new ATOM 0 HA LEU A 9 12.096 -10.024 4.593 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.719 -12.328 3.168 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.989 -12.229 4.897 1.00 25.00 H new ATOM 0 HG LEU A 9 9.257 -10.327 3.282 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.388 -11.482 4.478 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.320 -12.622 3.479 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.567 -12.576 5.241 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.472 -9.487 5.455 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.656 -10.526 6.283 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.215 -9.206 5.228 1.00 25.00 H new ATOM 148 N ALA A 10 13.939 -11.796 4.792 1.00 25.00 N ATOM 149 CA ALA A 10 15.124 -12.654 4.828 1.00 25.00 C ATOM 150 C ALA A 10 15.083 -13.543 6.072 1.00 25.00 C ATOM 151 O ALA A 10 14.602 -13.114 7.115 1.00 25.00 O ATOM 152 CB ALA A 10 16.382 -11.809 4.821 1.00 25.00 C ATOM 0 H ALA A 10 13.683 -11.396 5.695 1.00 25.00 H new ATOM 0 HA ALA A 10 15.131 -13.289 3.942 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.257 -12.459 4.848 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.408 -11.203 3.916 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.387 -11.157 5.694 1.00 25.00 H new ATOM 158 N LYS A 11 15.589 -14.768 5.951 1.00 25.00 N ATOM 159 CA LYS A 11 15.636 -15.717 7.067 1.00 25.00 C ATOM 160 C LYS A 11 17.052 -15.857 7.600 1.00 25.00 C ATOM 161 O LYS A 11 18.001 -15.994 6.830 1.00 25.00 O ATOM 162 CB LYS A 11 15.154 -17.104 6.618 1.00 25.00 C ATOM 163 CG LYS A 11 15.354 -18.190 7.688 1.00 25.00 C ATOM 164 CD LYS A 11 14.488 -19.418 7.486 1.00 25.00 C ATOM 165 CE LYS A 11 13.054 -19.128 7.911 1.00 25.00 C ATOM 166 NZ LYS A 11 12.254 -20.356 8.232 1.00 25.00 N ATOM 0 H LYS A 11 15.977 -15.132 5.081 1.00 25.00 H new ATOM 0 HA LYS A 11 14.984 -15.330 7.850 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.097 -17.048 6.360 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.689 -17.392 5.713 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.401 -18.493 7.693 1.00 25.00 H new ATOM 0 HG3 LYS A 11 15.140 -17.764 8.668 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.510 -19.719 6.439 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.885 -20.251 8.066 1.00 25.00 H new ATOM 0 HE2 LYS A 11 13.069 -18.478 8.786 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.553 -18.578 7.114 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.291 -20.080 8.512 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.208 -20.969 7.393 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.708 -20.871 9.013 1.00 25.00 H new ATOM 180 N ALA A 12 17.169 -15.893 8.913 1.00 25.00 N ATOM 181 CA ALA A 12 18.437 -16.140 9.578 1.00 25.00 C ATOM 182 C ALA A 12 18.835 -17.618 9.458 1.00 25.00 C ATOM 183 O ALA A 12 18.049 -18.497 9.812 1.00 25.00 O ATOM 184 CB ALA A 12 18.286 -15.753 11.025 1.00 25.00 C ATOM 0 H ALA A 12 16.386 -15.752 9.552 1.00 25.00 H new ATOM 0 HA ALA A 12 19.224 -15.549 9.109 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.226 -15.929 11.549 1.00 25.00 H new ATOM 0 HB2 ALA A 12 18.024 -14.697 11.094 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.498 -16.352 11.482 1.00 25.00 H new ATOM 190 N LEU A 13 20.044 -17.897 8.987 1.00 25.00 N ATOM 191 CA LEU A 13 20.536 -19.281 8.915 1.00 25.00 C ATOM 192 C LEU A 13 21.183 -19.655 10.230 1.00 25.00 C ATOM 193 O LEU A 13 21.342 -20.826 10.544 1.00 25.00 O ATOM 194 CB LEU A 13 21.603 -19.445 7.827 1.00 25.00 C ATOM 195 CG LEU A 13 21.278 -19.256 6.345 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.840 -19.643 5.984 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.566 -17.839 5.929 1.00 25.00 C ATOM 0 H LEU A 13 20.703 -17.195 8.650 1.00 25.00 H new ATOM 0 HA LEU A 13 19.680 -19.917 8.689 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.406 -18.747 8.065 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.011 -20.450 7.935 1.00 25.00 H new ATOM 0 HG LEU A 13 21.923 -19.939 5.793 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.677 -19.484 4.918 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.675 -20.693 6.224 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.144 -19.027 6.553 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.331 -17.715 4.872 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.955 -17.155 6.519 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.621 -17.618 6.095 1.00 25.00 H new ATOM 209 N TYR A 14 21.571 -18.640 10.981 1.00 25.00 N ATOM 210 CA TYR A 14 22.254 -18.803 12.255 1.00 25.00 C ATOM 211 C TYR A 14 21.701 -17.701 13.129 1.00 25.00 C ATOM 212 O TYR A 14 21.105 -16.765 12.609 1.00 25.00 O ATOM 213 CB TYR A 14 23.760 -18.612 12.088 1.00 25.00 C ATOM 214 CG TYR A 14 24.365 -19.465 10.996 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.788 -20.781 11.258 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.516 -18.956 9.691 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.361 -21.576 10.228 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.069 -19.752 8.657 1.00 25.00 C ATOM 219 CZ TYR A 14 25.490 -21.057 8.938 1.00 25.00 C ATOM 220 OH TYR A 14 26.034 -21.816 7.938 1.00 25.00 O ATOM 0 H TYR A 14 21.419 -17.665 10.721 1.00 25.00 H new ATOM 0 HA TYR A 14 22.099 -19.797 12.674 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.962 -17.563 11.871 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.253 -18.843 13.032 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.676 -21.191 12.251 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.206 -17.944 9.475 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.696 -22.580 10.443 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.165 -19.354 7.658 1.00 25.00 H new ATOM 0 HH TYR A 14 26.047 -21.299 7.105 1.00 25.00 H new ATOM 230 N ASP A 15 21.904 -17.774 14.431 1.00 25.00 N ATOM 231 CA ASP A 15 21.490 -16.689 15.306 1.00 25.00 C ATOM 232 C ASP A 15 22.537 -15.583 15.232 1.00 25.00 C ATOM 233 O ASP A 15 23.617 -15.768 14.661 1.00 25.00 O ATOM 234 CB ASP A 15 21.333 -17.188 16.743 1.00 25.00 C ATOM 235 CG ASP A 15 22.632 -17.680 17.335 1.00 25.00 C ATOM 236 OD1 ASP A 15 23.066 -17.106 18.350 1.00 25.00 O ATOM 237 OD2 ASP A 15 23.161 -18.699 16.844 1.00 25.00 O ATOM 0 H ASP A 15 22.347 -18.562 14.903 1.00 25.00 H new ATOM 0 HA ASP A 15 20.523 -16.303 14.984 1.00 25.00 H new ATOM 0 HB2 ASP A 15 20.939 -16.382 17.362 1.00 25.00 H new ATOM 0 HB3 ASP A 15 20.600 -17.994 16.765 1.00 25.00 H new ATOM 242 N ASN A 16 22.214 -14.427 15.786 1.00 25.00 N ATOM 243 CA ASN A 16 23.140 -13.311 15.812 1.00 25.00 C ATOM 244 C ASN A 16 22.985 -12.567 17.118 1.00 25.00 C ATOM 245 O ASN A 16 21.868 -12.268 17.538 1.00 25.00 O ATOM 246 CB ASN A 16 22.882 -12.342 14.658 1.00 25.00 C ATOM 247 CG ASN A 16 24.020 -11.380 14.469 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.162 -11.798 14.320 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.740 -10.112 14.502 1.00 25.00 N ATOM 0 H ASN A 16 21.313 -14.238 16.225 1.00 25.00 H new ATOM 0 HA ASN A 16 24.150 -13.707 15.710 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.727 -12.906 13.738 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.964 -11.786 14.849 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.485 -9.422 14.402 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.775 -9.806 14.628 1.00 25.00 H new ATOM 256 N VAL A 17 24.109 -12.238 17.729 1.00 25.00 N ATOM 257 CA VAL A 17 24.129 -11.452 18.943 1.00 25.00 C ATOM 258 C VAL A 17 24.650 -10.103 18.498 1.00 25.00 C ATOM 259 O VAL A 17 25.679 -10.015 17.829 1.00 25.00 O ATOM 260 CB VAL A 17 25.048 -12.084 20.024 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.098 -11.202 21.286 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.538 -13.494 20.391 1.00 25.00 C ATOM 0 H VAL A 17 25.033 -12.510 17.394 1.00 25.00 H new ATOM 0 HA VAL A 17 23.146 -11.389 19.409 1.00 25.00 H new ATOM 0 HB VAL A 17 26.056 -12.159 19.615 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.748 -11.666 22.028 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.488 -10.218 21.027 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.094 -11.098 21.697 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.188 -13.930 21.150 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.522 -13.424 20.780 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.543 -14.125 19.503 1.00 25.00 H new ATOM 272 N ALA A 18 23.884 -9.074 18.794 1.00 25.00 N ATOM 273 CA ALA A 18 24.226 -7.723 18.400 1.00 25.00 C ATOM 274 C ALA A 18 25.349 -7.220 19.302 1.00 25.00 C ATOM 275 O ALA A 18 25.223 -7.243 20.524 1.00 25.00 O ATOM 276 CB ALA A 18 23.000 -6.836 18.513 1.00 25.00 C ATOM 0 H ALA A 18 23.009 -9.150 19.313 1.00 25.00 H new ATOM 0 HA ALA A 18 24.566 -7.702 17.365 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.258 -5.819 18.216 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.214 -7.216 17.860 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.646 -6.834 19.544 1.00 25.00 H new ATOM 282 N GLU A 19 26.440 -6.794 18.691 1.00 25.00 N ATOM 283 CA GLU A 19 27.603 -6.286 19.427 1.00 25.00 C ATOM 284 C GLU A 19 27.732 -4.789 19.177 1.00 25.00 C ATOM 285 O GLU A 19 28.327 -4.051 19.958 1.00 25.00 O ATOM 286 CB GLU A 19 28.868 -7.019 18.976 1.00 25.00 C ATOM 287 CG GLU A 19 28.826 -8.507 19.309 1.00 25.00 C ATOM 288 CD GLU A 19 30.066 -9.247 18.834 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.011 -9.832 17.722 1.00 25.00 O ATOM 290 OE2 GLU A 19 31.080 -9.267 19.556 1.00 25.00 O ATOM 0 H GLU A 19 26.553 -6.787 17.677 1.00 25.00 H new ATOM 0 HA GLU A 19 27.471 -6.461 20.495 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.994 -6.893 17.901 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.737 -6.567 19.454 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.724 -8.632 20.387 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.943 -8.953 18.851 1.00 25.00 H new ATOM 297 N SER A 20 27.120 -4.344 18.093 1.00 25.00 N ATOM 298 CA SER A 20 27.069 -2.932 17.739 1.00 25.00 C ATOM 299 C SER A 20 25.704 -2.397 18.155 1.00 25.00 C ATOM 300 O SER A 20 24.707 -3.121 18.099 1.00 25.00 O ATOM 301 CB SER A 20 27.271 -2.779 16.228 1.00 25.00 C ATOM 302 OG SER A 20 26.857 -1.506 15.764 1.00 25.00 O ATOM 0 H SER A 20 26.642 -4.953 17.429 1.00 25.00 H new ATOM 0 HA SER A 20 27.855 -2.373 18.246 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.323 -2.929 15.986 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.710 -3.555 15.707 1.00 25.00 H new ATOM 0 HG SER A 20 27.003 -1.447 14.797 1.00 25.00 H new ATOM 308 N PRO A 21 25.625 -1.112 18.546 1.00 25.00 N ATOM 309 CA PRO A 21 24.326 -0.538 18.912 1.00 25.00 C ATOM 310 C PRO A 21 23.387 -0.394 17.718 1.00 25.00 C ATOM 311 O PRO A 21 22.190 -0.196 17.889 1.00 25.00 O ATOM 312 CB PRO A 21 24.709 0.830 19.483 1.00 25.00 C ATOM 313 CG PRO A 21 25.961 1.178 18.761 1.00 25.00 C ATOM 314 CD PRO A 21 26.704 -0.110 18.664 1.00 25.00 C ATOM 0 HA PRO A 21 23.775 -1.169 19.609 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.928 1.569 19.308 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.868 0.783 20.560 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.749 1.590 17.774 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.536 1.929 19.303 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.367 -0.128 17.799 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.323 -0.286 19.544 1.00 25.00 H new ATOM 322 N ASP A 22 23.928 -0.528 16.516 1.00 25.00 N ATOM 323 CA ASP A 22 23.140 -0.445 15.294 1.00 25.00 C ATOM 324 C ASP A 22 22.804 -1.828 14.781 1.00 25.00 C ATOM 325 O ASP A 22 22.216 -1.956 13.737 1.00 25.00 O ATOM 326 CB ASP A 22 23.926 0.297 14.211 1.00 25.00 C ATOM 327 CG ASP A 22 23.785 1.793 14.324 1.00 25.00 C ATOM 328 OD1 ASP A 22 22.690 2.305 14.003 1.00 25.00 O ATOM 329 OD2 ASP A 22 24.760 2.459 14.721 1.00 25.00 O ATOM 0 H ASP A 22 24.922 -0.697 16.360 1.00 25.00 H new ATOM 0 HA ASP A 22 22.220 0.092 15.524 1.00 25.00 H new ATOM 0 HB2 ASP A 22 24.980 0.028 14.281 1.00 25.00 H new ATOM 0 HB3 ASP A 22 23.579 -0.025 13.229 1.00 25.00 H new ATOM 334 N GLU A 23 23.216 -2.876 15.476 1.00 25.00 N ATOM 335 CA GLU A 23 23.032 -4.233 14.977 1.00 25.00 C ATOM 336 C GLU A 23 21.786 -4.900 15.563 1.00 25.00 C ATOM 337 O GLU A 23 21.402 -4.647 16.707 1.00 25.00 O ATOM 338 CB GLU A 23 24.287 -5.049 15.295 1.00 25.00 C ATOM 339 CG GLU A 23 24.349 -6.407 14.625 1.00 25.00 C ATOM 340 CD GLU A 23 25.639 -7.151 14.928 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.870 -8.201 14.291 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.401 -6.739 15.837 1.00 25.00 O ATOM 0 H GLU A 23 23.678 -2.816 16.383 1.00 25.00 H new ATOM 0 HA GLU A 23 22.880 -4.189 13.899 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.163 -4.473 14.998 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.349 -5.189 16.374 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.501 -7.009 14.953 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.252 -6.281 13.547 1.00 25.00 H new ATOM 349 N LEU A 24 21.162 -5.762 14.778 1.00 25.00 N ATOM 350 CA LEU A 24 20.016 -6.532 15.248 1.00 25.00 C ATOM 351 C LEU A 24 20.433 -7.887 15.782 1.00 25.00 C ATOM 352 O LEU A 24 21.292 -8.569 15.225 1.00 25.00 O ATOM 353 CB LEU A 24 19.002 -6.749 14.127 1.00 25.00 C ATOM 354 CG LEU A 24 18.213 -5.512 13.691 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.321 -5.878 12.524 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.377 -4.962 14.846 1.00 25.00 C ATOM 0 H LEU A 24 21.428 -5.948 13.811 1.00 25.00 H new ATOM 0 HA LEU A 24 19.563 -5.951 16.052 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.529 -7.145 13.259 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.294 -7.514 14.447 1.00 25.00 H new ATOM 0 HG LEU A 24 18.913 -4.734 13.387 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.756 -5.001 12.209 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.934 -6.232 11.695 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.630 -6.665 12.827 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.826 -4.083 14.510 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.674 -5.725 15.182 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.034 -4.685 15.671 1.00 25.00 H new ATOM 368 N SER A 25 19.767 -8.294 16.846 1.00 25.00 N ATOM 369 CA SER A 25 19.975 -9.591 17.451 1.00 25.00 C ATOM 370 C SER A 25 18.748 -10.421 17.140 1.00 25.00 C ATOM 371 O SER A 25 17.623 -9.964 17.327 1.00 25.00 O ATOM 372 CB SER A 25 20.137 -9.452 18.962 1.00 25.00 C ATOM 373 OG SER A 25 19.029 -8.758 19.513 1.00 25.00 O ATOM 0 H SER A 25 19.061 -7.727 17.317 1.00 25.00 H new ATOM 0 HA SER A 25 20.879 -10.059 17.061 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.221 -10.438 19.418 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.059 -8.917 19.188 1.00 25.00 H new ATOM 0 HG SER A 25 18.213 -9.009 19.031 1.00 25.00 H new ATOM 379 N PHE A 26 18.976 -11.627 16.658 1.00 25.00 N ATOM 380 CA PHE A 26 17.889 -12.544 16.302 1.00 25.00 C ATOM 381 C PHE A 26 18.333 -13.989 16.435 1.00 25.00 C ATOM 382 O PHE A 26 19.505 -14.267 16.671 1.00 25.00 O ATOM 383 CB PHE A 26 17.405 -12.280 14.877 1.00 25.00 C ATOM 384 CG PHE A 26 18.498 -12.232 13.854 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.156 -13.403 13.422 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.852 -11.004 13.278 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.144 -13.342 12.406 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.817 -10.937 12.273 1.00 25.00 C ATOM 389 CZ PHE A 26 20.458 -12.113 11.816 1.00 25.00 C ATOM 0 H PHE A 26 19.910 -12.005 16.500 1.00 25.00 H new ATOM 0 HA PHE A 26 17.065 -12.367 16.994 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.695 -13.058 14.597 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.864 -11.334 14.859 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.905 -14.354 13.869 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.371 -10.098 13.617 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.652 -14.241 12.089 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.077 -9.982 11.841 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.184 -12.062 11.018 1.00 25.00 H new ATOM 399 N ARG A 27 17.398 -14.913 16.270 1.00 25.00 N ATOM 400 CA ARG A 27 17.679 -16.335 16.392 1.00 25.00 C ATOM 401 C ARG A 27 17.710 -16.978 15.007 1.00 25.00 C ATOM 402 O ARG A 27 17.175 -16.435 14.057 1.00 25.00 O ATOM 403 CB ARG A 27 16.585 -16.958 17.265 1.00 25.00 C ATOM 404 CG ARG A 27 16.971 -18.252 17.942 1.00 25.00 C ATOM 405 CD ARG A 27 18.008 -18.015 19.052 1.00 25.00 C ATOM 406 NE ARG A 27 18.342 -19.251 19.783 1.00 25.00 N ATOM 407 CZ ARG A 27 19.333 -19.374 20.663 1.00 25.00 C ATOM 408 NH1 ARG A 27 20.139 -18.383 20.956 1.00 25.00 N ATOM 409 NH2 ARG A 27 19.522 -20.521 21.257 1.00 25.00 N ATOM 0 H ARG A 27 16.426 -14.699 16.048 1.00 25.00 H new ATOM 0 HA ARG A 27 18.652 -16.500 16.854 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.296 -16.237 18.030 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.705 -17.137 16.647 1.00 25.00 H new ATOM 0 HG2 ARG A 27 16.083 -18.722 18.365 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.377 -18.944 17.204 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.915 -17.598 18.615 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.623 -17.274 19.753 1.00 25.00 H new ATOM 0 HE ARG A 27 17.770 -20.075 19.600 1.00 25.00 H new ATOM 0 HH11 ARG A 27 20.018 -17.477 20.504 1.00 25.00 H new ATOM 0 HH12 ARG A 27 20.887 -18.518 21.636 1.00 25.00 H new ATOM 0 HH21 ARG A 27 18.913 -21.312 21.045 1.00 25.00 H new ATOM 0 HH22 ARG A 27 20.278 -20.627 21.933 1.00 25.00 H new ATOM 423 N LYS A 28 18.308 -18.156 14.902 1.00 25.00 N ATOM 424 CA LYS A 28 18.268 -18.919 13.658 1.00 25.00 C ATOM 425 C LYS A 28 16.807 -19.186 13.326 1.00 25.00 C ATOM 426 O LYS A 28 16.040 -19.587 14.191 1.00 25.00 O ATOM 427 CB LYS A 28 19.013 -20.247 13.836 1.00 25.00 C ATOM 428 CG LYS A 28 18.880 -21.190 12.646 1.00 25.00 C ATOM 429 CD LYS A 28 19.739 -22.439 12.827 1.00 25.00 C ATOM 430 CE LYS A 28 19.517 -23.420 11.681 1.00 25.00 C ATOM 431 NZ LYS A 28 20.346 -24.651 11.847 1.00 25.00 N ATOM 0 H LYS A 28 18.825 -18.605 15.658 1.00 25.00 H new ATOM 0 HA LYS A 28 18.747 -18.362 12.853 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.069 -20.040 14.008 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.637 -20.747 14.728 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.836 -21.479 12.524 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.176 -20.672 11.734 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.791 -22.159 12.873 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.496 -22.919 13.775 1.00 25.00 H new ATOM 0 HE2 LYS A 28 18.463 -23.693 11.634 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.764 -22.938 10.735 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 20.171 -25.297 11.051 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.353 -24.391 11.868 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 20.092 -25.123 12.738 1.00 25.00 H new ATOM 445 N GLY A 29 16.441 -18.967 12.075 1.00 25.00 N ATOM 446 CA GLY A 29 15.083 -19.203 11.622 1.00 25.00 C ATOM 447 C GLY A 29 14.197 -17.976 11.682 1.00 25.00 C ATOM 448 O GLY A 29 13.094 -18.007 11.136 1.00 25.00 O ATOM 0 H GLY A 29 17.072 -18.623 11.351 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.111 -19.570 10.596 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.639 -19.991 12.230 1.00 25.00 H new ATOM 452 N ASP A 30 14.669 -16.906 12.309 1.00 25.00 N ATOM 453 CA ASP A 30 13.886 -15.672 12.430 1.00 25.00 C ATOM 454 C ASP A 30 13.768 -14.992 11.072 1.00 25.00 C ATOM 455 O ASP A 30 14.561 -15.271 10.161 1.00 25.00 O ATOM 456 CB ASP A 30 14.558 -14.720 13.422 1.00 25.00 C ATOM 457 CG ASP A 30 13.573 -13.875 14.183 1.00 25.00 C ATOM 458 OD1 ASP A 30 12.417 -13.734 13.735 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.962 -13.381 15.260 1.00 25.00 O ATOM 0 H ASP A 30 15.591 -16.863 12.744 1.00 25.00 H new ATOM 0 HA ASP A 30 12.890 -15.925 12.792 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.153 -15.300 14.128 1.00 25.00 H new ATOM 0 HB3 ASP A 30 15.247 -14.069 12.883 1.00 25.00 H new ATOM 464 N ILE A 31 12.792 -14.104 10.937 1.00 25.00 N ATOM 465 CA ILE A 31 12.529 -13.391 9.687 1.00 25.00 C ATOM 466 C ILE A 31 12.579 -11.893 9.934 1.00 25.00 C ATOM 467 O ILE A 31 11.869 -11.372 10.789 1.00 25.00 O ATOM 468 CB ILE A 31 11.119 -13.716 9.109 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.961 -15.225 8.830 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.862 -12.908 7.806 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.963 -15.815 7.846 1.00 25.00 C ATOM 0 H ILE A 31 12.155 -13.854 11.694 1.00 25.00 H new ATOM 0 HA ILE A 31 13.291 -13.710 8.976 1.00 25.00 H new ATOM 0 HB ILE A 31 10.382 -13.427 9.858 1.00 25.00 H new ATOM 0 HG12 ILE A 31 11.045 -15.763 9.774 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.955 -15.404 8.450 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.872 -13.149 7.418 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.917 -11.841 8.023 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.616 -13.167 7.063 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.766 -16.880 7.720 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.868 -15.312 6.884 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.974 -15.676 8.229 1.00 25.00 H new ATOM 483 N MET A 32 13.376 -11.194 9.141 1.00 25.00 N ATOM 484 CA MET A 32 13.464 -9.739 9.216 1.00 25.00 C ATOM 485 C MET A 32 13.198 -9.142 7.852 1.00 25.00 C ATOM 486 O MET A 32 13.376 -9.796 6.824 1.00 25.00 O ATOM 487 CB MET A 32 14.840 -9.311 9.719 1.00 25.00 C ATOM 488 CG MET A 32 15.999 -9.891 8.939 1.00 25.00 C ATOM 489 SD MET A 32 17.262 -10.451 10.067 1.00 25.00 S ATOM 490 CE MET A 32 16.487 -11.973 10.752 1.00 25.00 C ATOM 0 H MET A 32 13.977 -11.613 8.431 1.00 25.00 H new ATOM 0 HA MET A 32 12.714 -9.376 9.919 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.903 -8.223 9.685 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.939 -9.604 10.764 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.655 -10.721 8.322 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.408 -9.139 8.264 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.493 -11.926 11.841 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.459 -12.049 10.397 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.050 -12.847 10.424 1.00 25.00 H new ATOM 500 N THR A 33 12.764 -7.894 7.857 1.00 25.00 N ATOM 501 CA THR A 33 12.482 -7.166 6.622 1.00 25.00 C ATOM 502 C THR A 33 13.745 -6.445 6.192 1.00 25.00 C ATOM 503 O THR A 33 14.200 -5.560 6.892 1.00 25.00 O ATOM 504 CB THR A 33 11.374 -6.118 6.837 1.00 25.00 C ATOM 505 OG1 THR A 33 10.164 -6.781 7.213 1.00 25.00 O ATOM 506 CG2 THR A 33 11.116 -5.320 5.570 1.00 25.00 C ATOM 0 H THR A 33 12.597 -7.356 8.707 1.00 25.00 H new ATOM 0 HA THR A 33 12.151 -7.876 5.864 1.00 25.00 H new ATOM 0 HB THR A 33 11.701 -5.435 7.621 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.457 -6.117 7.352 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.329 -4.589 5.754 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.029 -4.803 5.273 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.805 -5.994 4.772 1.00 25.00 H new ATOM 514 N VAL A 34 14.309 -6.821 5.058 1.00 25.00 N ATOM 515 CA VAL A 34 15.514 -6.177 4.540 1.00 25.00 C ATOM 516 C VAL A 34 15.115 -4.890 3.868 1.00 25.00 C ATOM 517 O VAL A 34 14.257 -4.870 2.982 1.00 25.00 O ATOM 518 CB VAL A 34 16.247 -7.058 3.519 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.572 -6.413 3.081 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.505 -8.420 4.116 1.00 25.00 C ATOM 0 H VAL A 34 13.952 -7.575 4.471 1.00 25.00 H new ATOM 0 HA VAL A 34 16.190 -6.000 5.376 1.00 25.00 H new ATOM 0 HB VAL A 34 15.616 -7.162 2.637 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.070 -7.059 2.358 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.371 -5.444 2.624 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.216 -6.278 3.950 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.025 -9.043 3.389 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.120 -8.315 5.010 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.556 -8.887 4.381 1.00 25.00 H new ATOM 530 N LEU A 35 15.727 -3.811 4.309 1.00 25.00 N ATOM 531 CA LEU A 35 15.435 -2.493 3.796 1.00 25.00 C ATOM 532 C LEU A 35 16.453 -2.148 2.727 1.00 25.00 C ATOM 533 O LEU A 35 16.083 -1.799 1.619 1.00 25.00 O ATOM 534 CB LEU A 35 15.478 -1.500 4.947 1.00 25.00 C ATOM 535 CG LEU A 35 14.433 -1.778 6.035 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.704 -0.898 7.203 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.010 -1.546 5.529 1.00 25.00 C ATOM 0 H LEU A 35 16.443 -3.826 5.036 1.00 25.00 H new ATOM 0 HA LEU A 35 14.442 -2.458 3.348 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.471 -1.519 5.395 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.324 -0.495 4.555 1.00 25.00 H new ATOM 0 HG LEU A 35 14.510 -2.826 6.324 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.965 -1.089 7.982 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.702 -1.105 7.591 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.644 0.146 6.894 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.301 -1.754 6.330 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.902 -0.510 5.209 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.811 -2.209 4.687 1.00 25.00 H new ATOM 549 N GLU A 36 17.727 -2.320 3.022 1.00 25.00 N ATOM 550 CA GLU A 36 18.762 -2.126 2.008 1.00 25.00 C ATOM 551 C GLU A 36 19.919 -3.056 2.323 1.00 25.00 C ATOM 552 O GLU A 36 19.935 -3.693 3.373 1.00 25.00 O ATOM 553 CB GLU A 36 19.221 -0.658 1.934 1.00 25.00 C ATOM 554 CG GLU A 36 20.119 -0.221 3.013 1.00 25.00 C ATOM 555 CD GLU A 36 20.419 1.263 2.959 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.274 1.930 4.010 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.834 1.757 1.899 1.00 25.00 O ATOM 0 H GLU A 36 18.074 -2.590 3.942 1.00 25.00 H new ATOM 0 HA GLU A 36 18.356 -2.365 1.025 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.724 -0.500 0.980 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.338 -0.019 1.938 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.668 -0.461 3.976 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.053 -0.779 2.951 1.00 25.00 H new ATOM 564 N ARG A 37 20.891 -3.136 1.429 1.00 25.00 N ATOM 565 CA ARG A 37 22.069 -3.967 1.645 1.00 25.00 C ATOM 566 C ARG A 37 23.272 -3.078 1.494 1.00 25.00 C ATOM 567 O ARG A 37 23.215 -2.125 0.733 1.00 25.00 O ATOM 568 CB ARG A 37 22.147 -5.070 0.604 1.00 25.00 C ATOM 569 CG ARG A 37 20.963 -6.017 0.618 1.00 25.00 C ATOM 570 CD ARG A 37 21.247 -7.213 -0.267 1.00 25.00 C ATOM 571 NE ARG A 37 21.624 -6.785 -1.624 1.00 25.00 N ATOM 572 CZ ARG A 37 22.186 -7.555 -2.545 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.447 -8.822 -2.337 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.500 -7.031 -3.698 1.00 25.00 N ATOM 0 H ARG A 37 20.889 -2.633 0.541 1.00 25.00 H new ATOM 0 HA ARG A 37 22.023 -4.427 2.632 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.225 -4.617 -0.385 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.060 -5.644 0.765 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.763 -6.348 1.637 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.069 -5.500 0.269 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.050 -7.809 0.167 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.366 -7.852 -0.315 1.00 25.00 H new ATOM 0 HE ARG A 37 21.437 -5.815 -1.877 1.00 25.00 H new ATOM 0 HH11 ARG A 37 22.217 -9.250 -1.440 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.880 -9.381 -3.072 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.312 -6.045 -3.878 1.00 25.00 H new ATOM 0 HH22 ARG A 37 22.933 -7.608 -4.419 1.00 25.00 H new ATOM 588 N ASP A 38 24.336 -3.418 2.209 1.00 25.00 N ATOM 589 CA ASP A 38 25.618 -2.719 2.133 1.00 25.00 C ATOM 590 C ASP A 38 25.400 -1.243 2.501 1.00 25.00 C ATOM 591 O ASP A 38 25.963 -0.307 1.933 1.00 25.00 O ATOM 592 CB ASP A 38 26.242 -2.983 0.758 1.00 25.00 C ATOM 593 CG ASP A 38 26.200 -4.476 0.397 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.675 -5.307 1.222 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.546 -4.843 -0.612 1.00 25.00 O ATOM 0 H ASP A 38 24.336 -4.197 2.868 1.00 25.00 H new ATOM 0 HA ASP A 38 26.347 -3.089 2.855 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.709 -2.409 -0.000 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.275 -2.636 0.754 1.00 25.00 H new ATOM 600 N THR A 39 24.513 -1.087 3.475 1.00 25.00 N ATOM 601 CA THR A 39 24.070 0.210 3.982 1.00 25.00 C ATOM 602 C THR A 39 25.227 0.955 4.623 1.00 25.00 C ATOM 603 O THR A 39 26.117 0.342 5.183 1.00 25.00 O ATOM 604 CB THR A 39 22.948 0.011 5.032 1.00 25.00 C ATOM 605 OG1 THR A 39 22.514 1.272 5.546 1.00 25.00 O ATOM 606 CG2 THR A 39 23.383 -0.869 6.173 1.00 25.00 C ATOM 0 H THR A 39 24.070 -1.875 3.947 1.00 25.00 H new ATOM 0 HA THR A 39 23.690 0.795 3.144 1.00 25.00 H new ATOM 0 HB THR A 39 22.123 -0.484 4.520 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.705 1.558 5.072 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.562 -0.978 6.882 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.664 -1.850 5.789 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.239 -0.417 6.675 1.00 25.00 H new ATOM 614 N GLN A 40 25.211 2.280 4.528 1.00 25.00 N ATOM 615 CA GLN A 40 26.256 3.154 5.097 1.00 25.00 C ATOM 616 C GLN A 40 27.656 2.863 4.543 1.00 25.00 C ATOM 617 O GLN A 40 28.656 3.301 5.098 1.00 25.00 O ATOM 618 CB GLN A 40 26.274 3.073 6.634 1.00 25.00 C ATOM 619 CG GLN A 40 24.905 3.097 7.269 1.00 25.00 C ATOM 620 CD GLN A 40 24.959 3.382 8.755 1.00 25.00 C ATOM 621 OE1 GLN A 40 25.417 4.425 9.178 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.484 2.458 9.551 1.00 25.00 N ATOM 0 H GLN A 40 24.469 2.792 4.051 1.00 25.00 H new ATOM 0 HA GLN A 40 25.993 4.167 4.791 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.785 2.158 6.933 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.858 3.906 7.024 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.294 3.855 6.779 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.415 2.137 7.104 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.107 1.594 9.162 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.491 2.602 10.561 1.00 25.00 H new ATOM 631 N GLY A 41 27.716 2.105 3.454 1.00 25.00 N ATOM 632 CA GLY A 41 28.991 1.709 2.873 1.00 25.00 C ATOM 633 C GLY A 41 29.594 0.535 3.622 1.00 25.00 C ATOM 634 O GLY A 41 30.771 0.215 3.462 1.00 25.00 O ATOM 0 H GLY A 41 26.897 1.753 2.957 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.849 1.442 1.826 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.682 2.552 2.896 1.00 25.00 H new ATOM 638 N LEU A 42 28.791 -0.101 4.465 1.00 25.00 N ATOM 639 CA LEU A 42 29.241 -1.230 5.252 1.00 25.00 C ATOM 640 C LEU A 42 29.014 -2.498 4.442 1.00 25.00 C ATOM 641 O LEU A 42 27.963 -3.124 4.526 1.00 25.00 O ATOM 642 CB LEU A 42 28.467 -1.279 6.566 1.00 25.00 C ATOM 643 CG LEU A 42 28.556 -0.037 7.455 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.501 -0.134 8.536 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.915 0.092 8.083 1.00 25.00 C ATOM 0 H LEU A 42 27.815 0.153 4.619 1.00 25.00 H new ATOM 0 HA LEU A 42 30.301 -1.136 5.487 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.417 -1.461 6.337 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.821 -2.136 7.139 1.00 25.00 H new ATOM 0 HG LEU A 42 28.389 0.846 6.839 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.554 0.746 9.177 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.514 -0.189 8.077 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.674 -1.029 9.134 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.944 0.985 8.708 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.118 -0.787 8.696 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.671 0.172 7.302 1.00 25.00 H new ATOM 657 N ASP A 43 29.995 -2.860 3.636 1.00 25.00 N ATOM 658 CA ASP A 43 29.887 -4.052 2.792 1.00 25.00 C ATOM 659 C ASP A 43 29.601 -5.285 3.641 1.00 25.00 C ATOM 660 O ASP A 43 30.271 -5.547 4.643 1.00 25.00 O ATOM 661 CB ASP A 43 31.177 -4.284 2.006 1.00 25.00 C ATOM 662 CG ASP A 43 31.276 -3.415 0.770 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.315 -3.407 -0.027 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.336 -2.790 0.565 1.00 25.00 O ATOM 0 H ASP A 43 30.875 -2.353 3.543 1.00 25.00 H new ATOM 0 HA ASP A 43 29.065 -3.887 2.095 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.032 -4.086 2.653 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.235 -5.332 1.713 1.00 25.00 H new ATOM 669 N GLY A 44 28.589 -6.042 3.243 1.00 25.00 N ATOM 670 CA GLY A 44 28.223 -7.248 3.964 1.00 25.00 C ATOM 671 C GLY A 44 27.219 -7.019 5.080 1.00 25.00 C ATOM 672 O GLY A 44 26.627 -7.982 5.579 1.00 25.00 O ATOM 0 H GLY A 44 28.010 -5.842 2.428 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.809 -7.969 3.259 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.124 -7.695 4.385 1.00 25.00 H new ATOM 676 N TRP A 45 27.000 -5.770 5.469 1.00 25.00 N ATOM 677 CA TRP A 45 26.021 -5.435 6.486 1.00 25.00 C ATOM 678 C TRP A 45 24.733 -5.017 5.788 1.00 25.00 C ATOM 679 O TRP A 45 24.740 -4.161 4.919 1.00 25.00 O ATOM 680 CB TRP A 45 26.560 -4.280 7.316 1.00 25.00 C ATOM 681 CG TRP A 45 27.601 -4.702 8.308 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.932 -4.451 8.274 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.389 -5.454 9.511 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.571 -4.962 9.363 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.651 -5.592 10.155 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.252 -6.012 10.119 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.797 -6.270 11.381 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.389 -6.683 11.349 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.663 -6.808 11.968 1.00 25.00 C ATOM 0 H TRP A 45 27.496 -4.965 5.088 1.00 25.00 H new ATOM 0 HA TRP A 45 25.826 -6.287 7.137 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.985 -3.530 6.650 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.734 -3.805 7.845 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.426 -3.911 7.480 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.570 -4.887 9.556 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.284 -5.927 9.648 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.765 -6.368 11.850 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.518 -7.107 11.827 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.748 -7.330 12.910 1.00 25.00 H new ATOM 700 N TRP A 46 23.622 -5.631 6.154 1.00 25.00 N ATOM 701 CA TRP A 46 22.344 -5.355 5.501 1.00 25.00 C ATOM 702 C TRP A 46 21.384 -4.725 6.497 1.00 25.00 C ATOM 703 O TRP A 46 21.177 -5.252 7.583 1.00 25.00 O ATOM 704 CB TRP A 46 21.758 -6.654 4.938 1.00 25.00 C ATOM 705 CG TRP A 46 22.613 -7.291 3.846 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.729 -6.784 3.253 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.407 -8.571 3.211 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.227 -7.617 2.302 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.447 -8.737 2.246 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.449 -9.597 3.358 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.540 -9.884 1.428 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.557 -10.758 2.556 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.591 -10.883 1.590 1.00 25.00 C ATOM 0 H TRP A 46 23.574 -6.325 6.900 1.00 25.00 H new ATOM 0 HA TRP A 46 22.500 -4.658 4.678 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.633 -7.368 5.752 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.765 -6.450 4.537 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.167 -5.831 3.509 1.00 25.00 H new ATOM 0 HE1 TRP A 46 25.048 -7.436 1.725 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.645 -9.498 4.072 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.328 -9.981 0.696 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.844 -11.560 2.680 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.639 -11.768 0.973 1.00 25.00 H new ATOM 724 N LEU A 47 20.804 -3.591 6.131 1.00 25.00 N ATOM 725 CA LEU A 47 19.856 -2.903 6.996 1.00 25.00 C ATOM 726 C LEU A 47 18.563 -3.669 6.971 1.00 25.00 C ATOM 727 O LEU A 47 17.974 -3.866 5.913 1.00 25.00 O ATOM 728 CB LEU A 47 19.595 -1.489 6.486 1.00 25.00 C ATOM 729 CG LEU A 47 18.590 -0.639 7.274 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.013 -0.451 8.720 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.413 0.715 6.605 1.00 25.00 C ATOM 0 H LEU A 47 20.974 -3.127 5.239 1.00 25.00 H new ATOM 0 HA LEU A 47 20.262 -2.844 8.006 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.546 -0.956 6.464 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.245 -1.560 5.456 1.00 25.00 H new ATOM 0 HG LEU A 47 17.640 -1.174 7.275 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.272 0.157 9.240 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.090 -1.424 9.206 1.00 25.00 H new ATOM 0 HD13 LEU A 47 19.981 0.049 8.754 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.698 1.310 7.172 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.372 1.233 6.573 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.043 0.574 5.590 1.00 25.00 H new ATOM 743 N CYS A 48 18.103 -4.091 8.133 1.00 25.00 N ATOM 744 CA CYS A 48 16.849 -4.806 8.243 1.00 25.00 C ATOM 745 C CYS A 48 16.047 -4.286 9.414 1.00 25.00 C ATOM 746 O CYS A 48 16.527 -3.484 10.208 1.00 25.00 O ATOM 747 CB CYS A 48 17.108 -6.309 8.414 1.00 25.00 C ATOM 748 SG CYS A 48 18.279 -7.006 7.214 1.00 25.00 S ATOM 0 H CYS A 48 18.585 -3.949 9.021 1.00 25.00 H new ATOM 0 HA CYS A 48 16.279 -4.646 7.328 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.487 -6.488 9.420 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.160 -6.841 8.331 1.00 25.00 H new ATOM 0 HG CYS A 48 19.407 -6.364 7.285 1.00 25.00 H new ATOM 754 N SER A 49 14.818 -4.756 9.515 1.00 25.00 N ATOM 755 CA SER A 49 13.937 -4.393 10.608 1.00 25.00 C ATOM 756 C SER A 49 13.370 -5.666 11.235 1.00 25.00 C ATOM 757 O SER A 49 12.864 -6.549 10.521 1.00 25.00 O ATOM 758 CB SER A 49 12.833 -3.477 10.079 1.00 25.00 C ATOM 759 OG SER A 49 11.580 -4.136 9.998 1.00 25.00 O ATOM 0 H SER A 49 14.403 -5.400 8.842 1.00 25.00 H new ATOM 0 HA SER A 49 14.481 -3.850 11.381 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.742 -2.607 10.730 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.112 -3.108 9.092 1.00 25.00 H new ATOM 0 HG SER A 49 10.904 -3.513 9.657 1.00 25.00 H new ATOM 765 N LEU A 50 13.506 -5.774 12.552 1.00 25.00 N ATOM 766 CA LEU A 50 13.062 -6.942 13.325 1.00 25.00 C ATOM 767 C LEU A 50 12.604 -6.423 14.681 1.00 25.00 C ATOM 768 O LEU A 50 13.231 -5.523 15.216 1.00 25.00 O ATOM 769 CB LEU A 50 14.229 -7.909 13.532 1.00 25.00 C ATOM 770 CG LEU A 50 13.849 -9.237 14.203 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.989 -10.354 13.230 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.704 -9.495 15.429 1.00 25.00 C ATOM 0 H LEU A 50 13.933 -5.047 13.126 1.00 25.00 H new ATOM 0 HA LEU A 50 12.263 -7.468 12.803 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.682 -8.123 12.564 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.989 -7.416 14.138 1.00 25.00 H new ATOM 0 HG LEU A 50 12.810 -9.173 14.527 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.718 -11.293 13.713 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.330 -10.180 12.379 1.00 25.00 H new ATOM 0 HD13 LEU A 50 15.021 -10.408 12.885 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.412 -10.442 15.883 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.753 -9.540 15.138 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.561 -8.689 16.148 1.00 25.00 H new ATOM 784 N HIS A 51 11.505 -6.956 15.205 1.00 25.00 N ATOM 785 CA HIS A 51 10.937 -6.527 16.503 1.00 25.00 C ATOM 786 C HIS A 51 10.642 -5.014 16.521 1.00 25.00 C ATOM 787 O HIS A 51 10.662 -4.382 17.569 1.00 25.00 O ATOM 788 CB HIS A 51 11.888 -6.874 17.673 1.00 25.00 C ATOM 789 CG HIS A 51 12.000 -8.339 17.962 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.614 -8.850 19.079 1.00 25.00 N ATOM 791 CD2 HIS A 51 11.554 -9.427 17.274 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.527 -10.175 19.032 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.884 -10.580 17.957 1.00 25.00 N ATOM 0 H HIS A 51 10.974 -7.699 14.751 1.00 25.00 H new ATOM 0 HA HIS A 51 10.000 -7.070 16.629 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.880 -6.483 17.448 1.00 25.00 H new ATOM 0 HB3 HIS A 51 11.541 -6.364 18.572 1.00 25.00 H new ATOM 0 HD2 HIS A 51 11.022 -9.392 16.335 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.933 -10.837 19.782 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.674 -11.541 17.687 1.00 25.00 H new ATOM 801 N GLY A 52 10.371 -4.437 15.354 1.00 25.00 N ATOM 802 CA GLY A 52 10.101 -3.008 15.269 1.00 25.00 C ATOM 803 C GLY A 52 11.337 -2.144 15.479 1.00 25.00 C ATOM 804 O GLY A 52 11.230 -0.938 15.663 1.00 25.00 O ATOM 0 H GLY A 52 10.333 -4.932 14.463 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.673 -2.784 14.292 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.351 -2.743 16.014 1.00 25.00 H new ATOM 808 N ARG A 53 12.514 -2.755 15.441 1.00 25.00 N ATOM 809 CA ARG A 53 13.776 -2.054 15.627 1.00 25.00 C ATOM 810 C ARG A 53 14.509 -2.203 14.315 1.00 25.00 C ATOM 811 O ARG A 53 14.424 -3.245 13.672 1.00 25.00 O ATOM 812 CB ARG A 53 14.564 -2.701 16.779 1.00 25.00 C ATOM 813 CG ARG A 53 15.615 -1.790 17.429 1.00 25.00 C ATOM 814 CD ARG A 53 17.005 -2.079 16.875 1.00 25.00 C ATOM 815 NE ARG A 53 18.066 -1.281 17.511 1.00 25.00 N ATOM 816 CZ ARG A 53 18.775 -1.652 18.574 1.00 25.00 C ATOM 817 NH1 ARG A 53 18.583 -2.794 19.188 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.701 -0.865 19.028 1.00 25.00 N ATOM 0 H ARG A 53 12.620 -3.757 15.279 1.00 25.00 H new ATOM 0 HA ARG A 53 13.639 -1.004 15.887 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.860 -3.025 17.546 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.061 -3.596 16.404 1.00 25.00 H new ATOM 0 HG2 ARG A 53 15.358 -0.746 17.249 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.612 -1.938 18.509 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.228 -3.138 17.008 1.00 25.00 H new ATOM 0 HD3 ARG A 53 17.008 -1.885 15.802 1.00 25.00 H new ATOM 0 HE ARG A 53 18.275 -0.369 17.104 1.00 25.00 H new ATOM 0 HH11 ARG A 53 17.867 -3.439 18.854 1.00 25.00 H new ATOM 0 HH12 ARG A 53 19.150 -3.038 20.000 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.880 0.029 18.571 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.250 -1.140 19.842 1.00 25.00 H new ATOM 832 N GLN A 54 15.196 -1.159 13.898 1.00 25.00 N ATOM 833 CA GLN A 54 15.940 -1.178 12.647 1.00 25.00 C ATOM 834 C GLN A 54 17.420 -1.290 12.958 1.00 25.00 C ATOM 835 O GLN A 54 17.888 -0.701 13.929 1.00 25.00 O ATOM 836 CB GLN A 54 15.675 0.105 11.870 1.00 25.00 C ATOM 837 CG GLN A 54 14.935 -0.125 10.590 1.00 25.00 C ATOM 838 CD GLN A 54 14.639 1.165 9.844 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.509 1.429 9.476 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.651 1.961 9.611 1.00 25.00 N ATOM 0 H GLN A 54 15.257 -0.278 14.409 1.00 25.00 H new ATOM 0 HA GLN A 54 15.623 -2.029 12.044 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.102 0.790 12.496 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.625 0.593 11.651 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.521 -0.784 9.950 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.998 -0.639 10.804 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.584 1.707 9.934 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.506 2.835 9.106 1.00 25.00 H new ATOM 849 N GLY A 55 18.150 -2.034 12.142 1.00 25.00 N ATOM 850 CA GLY A 55 19.577 -2.179 12.356 1.00 25.00 C ATOM 851 C GLY A 55 20.261 -3.033 11.311 1.00 25.00 C ATOM 852 O GLY A 55 19.602 -3.659 10.481 1.00 25.00 O ATOM 0 H GLY A 55 17.782 -2.540 11.336 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.037 -1.191 12.364 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.746 -2.618 13.339 1.00 25.00 H new ATOM 856 N ILE A 56 21.584 -3.043 11.334 1.00 25.00 N ATOM 857 CA ILE A 56 22.385 -3.810 10.386 1.00 25.00 C ATOM 858 C ILE A 56 22.444 -5.273 10.816 1.00 25.00 C ATOM 859 O ILE A 56 22.227 -5.617 11.981 1.00 25.00 O ATOM 860 CB ILE A 56 23.825 -3.215 10.241 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.605 -3.345 11.569 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.721 -1.736 9.831 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.024 -2.781 11.536 1.00 25.00 C ATOM 0 H ILE A 56 22.137 -2.519 12.012 1.00 25.00 H new ATOM 0 HA ILE A 56 21.907 -3.749 9.408 1.00 25.00 H new ATOM 0 HB ILE A 56 24.365 -3.771 9.475 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.045 -2.837 12.354 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.654 -4.399 11.844 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.721 -1.316 9.728 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.195 -1.658 8.879 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.172 -1.184 10.594 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.492 -2.917 12.511 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.606 -3.304 10.778 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.988 -1.718 11.296 1.00 25.00 H new ATOM 875 N VAL A 57 22.693 -6.133 9.845 1.00 25.00 N ATOM 876 CA VAL A 57 22.742 -7.578 10.047 1.00 25.00 C ATOM 877 C VAL A 57 23.852 -8.142 9.170 1.00 25.00 C ATOM 878 O VAL A 57 23.988 -7.727 8.020 1.00 25.00 O ATOM 879 CB VAL A 57 21.413 -8.228 9.578 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.460 -9.728 9.641 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.231 -7.689 10.390 1.00 25.00 C ATOM 0 H VAL A 57 22.870 -5.849 8.881 1.00 25.00 H new ATOM 0 HA VAL A 57 22.909 -7.787 11.104 1.00 25.00 H new ATOM 0 HB VAL A 57 21.274 -7.955 8.532 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.508 -10.136 9.303 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.260 -10.094 8.998 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.646 -10.043 10.668 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.309 -8.157 10.045 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.381 -7.916 11.445 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.161 -6.609 10.258 1.00 25.00 H new ATOM 891 N PRO A 58 24.636 -9.111 9.670 1.00 25.00 N ATOM 892 CA PRO A 58 25.629 -9.717 8.784 1.00 25.00 C ATOM 893 C PRO A 58 24.959 -10.593 7.718 1.00 25.00 C ATOM 894 O PRO A 58 24.344 -11.618 8.024 1.00 25.00 O ATOM 895 CB PRO A 58 26.483 -10.542 9.747 1.00 25.00 C ATOM 896 CG PRO A 58 25.550 -10.925 10.844 1.00 25.00 C ATOM 897 CD PRO A 58 24.635 -9.736 11.004 1.00 25.00 C ATOM 0 HA PRO A 58 26.211 -8.989 8.219 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.898 -11.421 9.255 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.324 -9.962 10.127 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.989 -11.825 10.590 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.090 -11.136 11.767 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.632 -10.040 11.303 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.000 -9.050 11.768 1.00 25.00 H new ATOM 905 N GLY A 59 25.102 -10.208 6.457 1.00 25.00 N ATOM 906 CA GLY A 59 24.525 -10.968 5.356 1.00 25.00 C ATOM 907 C GLY A 59 25.087 -12.373 5.279 1.00 25.00 C ATOM 908 O GLY A 59 24.452 -13.281 4.766 1.00 25.00 O ATOM 0 H GLY A 59 25.613 -9.373 6.171 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.443 -11.017 5.477 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.717 -10.449 4.417 1.00 25.00 H new ATOM 912 N ASN A 60 26.258 -12.566 5.868 1.00 25.00 N ATOM 913 CA ASN A 60 26.905 -13.879 5.926 1.00 25.00 C ATOM 914 C ASN A 60 26.094 -14.903 6.744 1.00 25.00 C ATOM 915 O ASN A 60 26.311 -16.104 6.642 1.00 25.00 O ATOM 916 CB ASN A 60 28.305 -13.720 6.534 1.00 25.00 C ATOM 917 CG ASN A 60 29.261 -14.808 6.100 1.00 25.00 C ATOM 918 OD1 ASN A 60 29.024 -15.514 5.138 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.363 -14.917 6.782 1.00 25.00 N ATOM 0 H ASN A 60 26.790 -11.822 6.320 1.00 25.00 H new ATOM 0 HA ASN A 60 26.969 -14.264 4.908 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.712 -12.750 6.248 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.226 -13.725 7.621 1.00 25.00 H new ATOM 0 HD21 ASN A 60 31.061 -15.611 6.515 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.529 -14.308 7.583 1.00 25.00 H new ATOM 926 N ARG A 61 25.151 -14.424 7.551 1.00 25.00 N ATOM 927 CA ARG A 61 24.285 -15.301 8.349 1.00 25.00 C ATOM 928 C ARG A 61 22.830 -15.175 7.918 1.00 25.00 C ATOM 929 O ARG A 61 21.929 -15.673 8.606 1.00 25.00 O ATOM 930 CB ARG A 61 24.402 -14.942 9.835 1.00 25.00 C ATOM 931 CG ARG A 61 25.798 -15.133 10.406 1.00 25.00 C ATOM 932 CD ARG A 61 25.794 -14.921 11.907 1.00 25.00 C ATOM 933 NE ARG A 61 27.116 -15.193 12.489 1.00 25.00 N ATOM 934 CZ ARG A 61 27.388 -15.284 13.786 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.474 -15.157 14.712 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.617 -15.522 14.148 1.00 25.00 N ATOM 0 H ARG A 61 24.963 -13.429 7.673 1.00 25.00 H new ATOM 0 HA ARG A 61 24.610 -16.329 8.189 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.103 -13.903 9.972 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.701 -15.553 10.403 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.157 -16.136 10.176 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.488 -14.432 9.936 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.500 -13.895 12.131 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.051 -15.573 12.366 1.00 25.00 H new ATOM 0 HE ARG A 61 27.892 -15.323 11.840 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.504 -14.980 14.450 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.731 -15.235 15.696 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.344 -15.634 13.442 1.00 25.00 H new ATOM 0 HH22 ARG A 61 28.852 -15.596 15.138 1.00 25.00 H new ATOM 950 N LEU A 62 22.587 -14.504 6.800 1.00 25.00 N ATOM 951 CA LEU A 62 21.224 -14.223 6.358 1.00 25.00 C ATOM 952 C LEU A 62 20.941 -14.665 4.932 1.00 25.00 C ATOM 953 O LEU A 62 21.771 -14.532 4.045 1.00 25.00 O ATOM 954 CB LEU A 62 20.966 -12.723 6.464 1.00 25.00 C ATOM 955 CG LEU A 62 19.524 -12.306 6.747 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.036 -12.743 8.085 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.398 -10.803 6.605 1.00 25.00 C ATOM 0 H LEU A 62 23.314 -14.144 6.182 1.00 25.00 H new ATOM 0 HA LEU A 62 20.562 -14.796 7.007 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.600 -12.321 7.254 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.282 -12.254 5.532 1.00 25.00 H new ATOM 0 HG LEU A 62 18.893 -12.810 6.015 1.00 25.00 H new ATOM 0 HD11 LEU A 62 18.006 -12.415 8.222 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.082 -13.830 8.152 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.663 -12.305 8.862 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.370 -10.503 6.807 1.00 25.00 H new ATOM 0 HD22 LEU A 62 20.064 -10.313 7.315 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.669 -10.509 5.591 1.00 25.00 H new ATOM 969 N LYS A 63 19.734 -15.166 4.710 1.00 25.00 N ATOM 970 CA LYS A 63 19.304 -15.576 3.373 1.00 25.00 C ATOM 971 C LYS A 63 18.090 -14.809 2.938 1.00 25.00 C ATOM 972 O LYS A 63 17.035 -14.899 3.553 1.00 25.00 O ATOM 973 CB LYS A 63 18.980 -17.069 3.321 1.00 25.00 C ATOM 974 CG LYS A 63 18.462 -17.516 1.948 1.00 25.00 C ATOM 975 CD LYS A 63 18.434 -19.029 1.784 1.00 25.00 C ATOM 976 CE LYS A 63 17.397 -19.704 2.673 1.00 25.00 C ATOM 977 NZ LYS A 63 17.436 -21.195 2.459 1.00 25.00 N ATOM 0 H LYS A 63 19.031 -15.300 5.437 1.00 25.00 H new ATOM 0 HA LYS A 63 20.134 -15.364 2.699 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.875 -17.639 3.570 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.232 -17.301 4.080 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.457 -17.122 1.800 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.092 -17.084 1.170 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.225 -19.272 0.742 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.420 -19.432 2.014 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.595 -19.472 3.719 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.403 -19.320 2.444 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 16.727 -21.652 3.067 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 17.226 -21.408 1.463 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.382 -21.556 2.699 1.00 25.00 H new ATOM 991 N ILE A 64 18.241 -14.094 1.840 1.00 25.00 N ATOM 992 CA ILE A 64 17.152 -13.345 1.246 1.00 25.00 C ATOM 993 C ILE A 64 16.096 -14.319 0.738 1.00 25.00 C ATOM 994 O ILE A 64 16.399 -15.239 -0.022 1.00 25.00 O ATOM 995 CB ILE A 64 17.676 -12.491 0.062 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.781 -11.526 0.538 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.553 -11.703 -0.588 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.362 -10.513 1.624 1.00 25.00 C ATOM 0 H ILE A 64 19.123 -14.016 1.334 1.00 25.00 H new ATOM 0 HA ILE A 64 16.719 -12.683 1.996 1.00 25.00 H new ATOM 0 HB ILE A 64 18.091 -13.174 -0.679 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.614 -12.116 0.920 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.152 -10.973 -0.325 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.952 -11.115 -1.414 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.796 -12.391 -0.965 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.103 -11.037 0.148 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.214 -9.885 1.884 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.553 -9.888 1.246 1.00 25.00 H new ATOM 0 HD13 ILE A 64 18.022 -11.049 2.510 1.00 25.00 H new ATOM 1010 N LEU A 65 14.860 -14.118 1.159 1.00 25.00 N ATOM 1011 CA LEU A 65 13.746 -14.921 0.696 1.00 25.00 C ATOM 1012 C LEU A 65 13.081 -14.139 -0.426 1.00 25.00 C ATOM 1013 O LEU A 65 12.282 -13.234 -0.186 1.00 25.00 O ATOM 1014 CB LEU A 65 12.760 -15.187 1.836 1.00 25.00 C ATOM 1015 CG LEU A 65 13.352 -15.849 3.087 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.244 -16.008 4.121 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.004 -17.208 2.775 1.00 25.00 C ATOM 0 H LEU A 65 14.602 -13.395 1.830 1.00 25.00 H new ATOM 0 HA LEU A 65 14.086 -15.894 0.341 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.307 -14.240 2.129 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.958 -15.820 1.457 1.00 25.00 H new ATOM 0 HG LEU A 65 14.144 -15.210 3.477 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.648 -16.478 5.018 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.840 -15.028 4.375 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.450 -16.632 3.711 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.408 -17.637 3.692 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.257 -17.883 2.358 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.809 -17.068 2.054 1.00 25.00 H new ATOM 1327 N PRO A 89 29.186 -18.640 10.752 1.00 25.00 N ATOM 1328 CA PRO A 89 30.371 -17.973 10.206 1.00 25.00 C ATOM 1329 C PRO A 89 30.576 -16.571 10.791 1.00 25.00 C ATOM 1330 O PRO A 89 29.665 -16.009 11.419 1.00 25.00 O ATOM 1331 CB PRO A 89 30.062 -17.922 8.709 1.00 25.00 C ATOM 1332 CG PRO A 89 28.598 -17.783 8.654 1.00 25.00 C ATOM 1333 CD PRO A 89 28.092 -18.667 9.763 1.00 25.00 C ATOM 0 HA PRO A 89 31.298 -18.494 10.443 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.561 -17.082 8.226 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.397 -18.826 8.201 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.292 -16.747 8.801 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.206 -18.097 7.687 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.161 -18.289 10.184 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.894 -19.679 9.411 1.00 25.00 H new ATOM 1341 N PRO A 90 31.773 -15.986 10.612 1.00 25.00 N ATOM 1342 CA PRO A 90 32.002 -14.666 11.210 1.00 25.00 C ATOM 1343 C PRO A 90 31.235 -13.532 10.530 1.00 25.00 C ATOM 1344 O PRO A 90 30.840 -13.629 9.364 1.00 25.00 O ATOM 1345 CB PRO A 90 33.514 -14.479 11.051 1.00 25.00 C ATOM 1346 CG PRO A 90 33.840 -15.235 9.822 1.00 25.00 C ATOM 1347 CD PRO A 90 32.972 -16.465 9.894 1.00 25.00 C ATOM 0 HA PRO A 90 31.647 -14.627 12.240 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.778 -13.426 10.954 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.057 -14.866 11.913 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.626 -14.650 8.928 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.897 -15.497 9.786 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.724 -16.842 8.902 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.466 -17.276 10.429 1.00 25.00 H new ATOM 1355 N LYS A 91 31.041 -12.447 11.269 1.00 25.00 N ATOM 1356 CA LYS A 91 30.387 -11.247 10.746 1.00 25.00 C ATOM 1357 C LYS A 91 31.477 -10.335 10.161 1.00 25.00 C ATOM 1358 O LYS A 91 32.632 -10.405 10.589 1.00 25.00 O ATOM 1359 CB LYS A 91 29.615 -10.526 11.874 1.00 25.00 C ATOM 1360 CG LYS A 91 30.449 -10.203 13.128 1.00 25.00 C ATOM 1361 CD LYS A 91 29.668 -9.393 14.179 1.00 25.00 C ATOM 1362 CE LYS A 91 28.510 -10.180 14.807 1.00 25.00 C ATOM 1363 NZ LYS A 91 27.889 -9.391 15.919 1.00 25.00 N ATOM 0 H LYS A 91 31.330 -12.371 12.244 1.00 25.00 H new ATOM 0 HA LYS A 91 29.667 -11.510 9.971 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.207 -9.596 11.478 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.768 -11.146 12.169 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.794 -11.134 13.578 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.337 -9.644 12.833 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.352 -9.075 14.966 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.275 -8.489 13.714 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.760 -10.405 14.048 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.874 -11.134 15.188 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 26.991 -9.834 16.200 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.535 -9.372 16.734 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.709 -8.419 15.597 1.00 25.00 H new ATOM 1377 N PRO A 92 31.133 -9.491 9.169 1.00 25.00 N ATOM 1378 CA PRO A 92 32.152 -8.571 8.644 1.00 25.00 C ATOM 1379 C PRO A 92 32.515 -7.484 9.675 1.00 25.00 C ATOM 1380 O PRO A 92 31.787 -7.284 10.649 1.00 25.00 O ATOM 1381 CB PRO A 92 31.476 -7.991 7.393 1.00 25.00 C ATOM 1382 CG PRO A 92 30.037 -8.068 7.669 1.00 25.00 C ATOM 1383 CD PRO A 92 29.833 -9.306 8.490 1.00 25.00 C ATOM 0 HA PRO A 92 33.103 -9.055 8.420 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.789 -6.962 7.216 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.738 -8.562 6.502 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.696 -7.184 8.207 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.465 -8.117 6.742 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.021 -9.183 9.206 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.581 -10.164 7.866 1.00 25.00 H new