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= -0.307 X(o=-0.31,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= 0.0524 K(o=0.052,f=-6.1!) USER MOD Single : A 20 SER OG : rot 180:sc= -0.0935 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 -129:sc= -0.249 (180deg=-1.19) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 98:sc= 0.784 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.049) USER MOD Single : A 48 CYS SG : rot 56:sc= 0.00514 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.225 X(o=-0.22,f=-0.098) USER MOD Single : A 60 ASN : amide:sc= 0.719 K(o=0.72,f=-1.4!) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 141:sc= 0.649 (180deg=0.129) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.480 1.912 0.008 1.00 25.00 N ATOM 60 CA TYR A 5 13.932 0.616 0.493 1.00 25.00 C ATOM 61 C TYR A 5 13.400 -0.586 -0.308 1.00 25.00 C ATOM 62 O TYR A 5 12.469 -0.492 -1.098 1.00 25.00 O ATOM 63 CB TYR A 5 13.625 0.471 1.982 1.00 25.00 C ATOM 64 CG TYR A 5 14.479 1.346 2.883 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.881 1.405 2.731 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.892 2.093 3.924 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.678 2.188 3.600 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.694 2.882 4.796 1.00 25.00 C ATOM 69 CZ TYR A 5 16.079 2.916 4.624 1.00 25.00 C ATOM 70 OH TYR A 5 16.854 3.657 5.470 1.00 25.00 O ATOM 0 HA TYR A 5 15.011 0.598 0.340 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.575 0.712 2.150 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.763 -0.571 2.270 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.353 0.843 1.939 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.821 2.066 4.062 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.749 2.221 3.469 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.232 3.453 5.588 1.00 25.00 H new ATOM 0 HH TYR A 5 16.283 4.106 6.128 1.00 25.00 H new ATOM 80 N LEU A 6 14.082 -1.708 -0.141 1.00 25.00 N ATOM 81 CA LEU A 6 13.812 -2.923 -0.908 1.00 25.00 C ATOM 82 C LEU A 6 12.578 -3.671 -0.397 1.00 25.00 C ATOM 83 O LEU A 6 11.856 -4.284 -1.171 1.00 25.00 O ATOM 84 CB LEU A 6 15.024 -3.862 -0.817 1.00 25.00 C ATOM 85 CG LEU A 6 16.394 -3.334 -1.281 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.470 -4.366 -0.919 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.417 -3.059 -2.779 1.00 25.00 C ATOM 0 H LEU A 6 14.842 -1.806 0.532 1.00 25.00 H new ATOM 0 HA LEU A 6 13.624 -2.621 -1.938 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.124 -4.176 0.222 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.797 -4.755 -1.400 1.00 25.00 H new ATOM 0 HG LEU A 6 16.590 -2.388 -0.776 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.446 -4.003 -1.243 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.479 -4.519 0.160 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.251 -5.310 -1.417 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.401 -2.688 -3.066 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.204 -3.980 -3.321 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.662 -2.312 -3.023 1.00 25.00 H new ATOM 99 N ASN A 7 12.381 -3.633 0.918 1.00 25.00 N ATOM 100 CA ASN A 7 11.250 -4.281 1.599 1.00 25.00 C ATOM 101 C ASN A 7 11.083 -5.776 1.263 1.00 25.00 C ATOM 102 O ASN A 7 9.985 -6.231 0.961 1.00 25.00 O ATOM 103 CB ASN A 7 9.935 -3.533 1.307 1.00 25.00 C ATOM 104 CG ASN A 7 9.985 -2.072 1.693 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.529 -1.221 0.960 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.513 -1.782 2.855 1.00 25.00 N ATOM 0 H ASN A 7 13.010 -3.145 1.556 1.00 25.00 H new ATOM 0 HA ASN A 7 11.485 -4.227 2.662 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.706 -3.614 0.244 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.121 -4.017 1.846 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.550 -0.813 3.171 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.887 -2.525 3.445 1.00 25.00 H new ATOM 113 N VAL A 8 12.165 -6.541 1.344 1.00 25.00 N ATOM 114 CA VAL A 8 12.122 -7.980 1.042 1.00 25.00 C ATOM 115 C VAL A 8 12.243 -8.737 2.357 1.00 25.00 C ATOM 116 O VAL A 8 12.698 -8.176 3.341 1.00 25.00 O ATOM 117 CB VAL A 8 13.256 -8.396 0.019 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.776 -7.184 -0.730 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.436 -9.092 0.697 1.00 25.00 C ATOM 0 H VAL A 8 13.086 -6.196 1.615 1.00 25.00 H new ATOM 0 HA VAL A 8 11.178 -8.230 0.558 1.00 25.00 H new ATOM 0 HB VAL A 8 12.794 -9.100 -0.673 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.554 -7.494 -1.427 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.959 -6.719 -1.281 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.189 -6.467 -0.020 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.183 -9.355 -0.052 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.880 -8.421 1.433 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.088 -9.997 1.195 1.00 25.00 H new ATOM 129 N LEU A 9 11.856 -10.001 2.393 1.00 25.00 N ATOM 130 CA LEU A 9 11.981 -10.798 3.618 1.00 25.00 C ATOM 131 C LEU A 9 13.242 -11.657 3.566 1.00 25.00 C ATOM 132 O LEU A 9 13.632 -12.136 2.504 1.00 25.00 O ATOM 133 CB LEU A 9 10.750 -11.692 3.801 1.00 25.00 C ATOM 134 CG LEU A 9 9.405 -10.963 3.957 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.285 -11.998 4.070 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.390 -10.054 5.189 1.00 25.00 C ATOM 0 H LEU A 9 11.455 -10.501 1.599 1.00 25.00 H new ATOM 0 HA LEU A 9 12.052 -10.117 4.466 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.681 -12.361 2.943 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.906 -12.316 4.681 1.00 25.00 H new ATOM 0 HG LEU A 9 9.255 -10.334 3.080 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.328 -11.488 4.181 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.266 -12.613 3.170 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.461 -12.632 4.939 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.422 -9.557 5.263 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.561 -10.652 6.084 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.176 -9.305 5.098 1.00 25.00 H new ATOM 148 N ALA A 10 13.873 -11.866 4.708 1.00 25.00 N ATOM 149 CA ALA A 10 15.070 -12.703 4.784 1.00 25.00 C ATOM 150 C ALA A 10 15.050 -13.567 6.049 1.00 25.00 C ATOM 151 O ALA A 10 14.620 -13.109 7.102 1.00 25.00 O ATOM 152 CB ALA A 10 16.307 -11.829 4.760 1.00 25.00 C ATOM 0 H ALA A 10 13.580 -11.469 5.601 1.00 25.00 H new ATOM 0 HA ALA A 10 15.087 -13.369 3.921 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.197 -12.456 4.817 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.328 -11.253 3.835 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.288 -11.148 5.611 1.00 25.00 H new ATOM 158 N LYS A 11 15.530 -14.804 5.941 1.00 25.00 N ATOM 159 CA LYS A 11 15.592 -15.725 7.083 1.00 25.00 C ATOM 160 C LYS A 11 17.013 -15.849 7.618 1.00 25.00 C ATOM 161 O LYS A 11 17.962 -15.998 6.845 1.00 25.00 O ATOM 162 CB LYS A 11 15.106 -17.122 6.678 1.00 25.00 C ATOM 163 CG LYS A 11 15.253 -18.173 7.793 1.00 25.00 C ATOM 164 CD LYS A 11 14.400 -19.419 7.585 1.00 25.00 C ATOM 165 CE LYS A 11 12.934 -19.140 7.924 1.00 25.00 C ATOM 166 NZ LYS A 11 12.116 -20.375 8.168 1.00 25.00 N ATOM 0 H LYS A 11 15.885 -15.197 5.069 1.00 25.00 H new ATOM 0 HA LYS A 11 14.947 -15.314 7.860 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.058 -17.062 6.383 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.665 -17.452 5.803 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.300 -18.469 7.864 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.986 -17.717 8.746 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.481 -19.752 6.550 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.774 -20.229 8.211 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.891 -18.508 8.811 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.485 -18.575 7.108 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.137 -20.104 8.391 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.125 -20.971 7.316 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.519 -20.906 8.966 1.00 25.00 H new ATOM 180 N ALA A 12 17.139 -15.876 8.933 1.00 25.00 N ATOM 181 CA ALA A 12 18.412 -16.122 9.595 1.00 25.00 C ATOM 182 C ALA A 12 18.817 -17.595 9.462 1.00 25.00 C ATOM 183 O ALA A 12 18.051 -18.483 9.832 1.00 25.00 O ATOM 184 CB ALA A 12 18.270 -15.742 11.059 1.00 25.00 C ATOM 0 H ALA A 12 16.361 -15.728 9.575 1.00 25.00 H new ATOM 0 HA ALA A 12 19.192 -15.522 9.127 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.214 -15.919 11.574 1.00 25.00 H new ATOM 0 HB2 ALA A 12 18.006 -14.687 11.137 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.488 -16.347 11.518 1.00 25.00 H new ATOM 190 N LEU A 13 20.026 -17.855 8.972 1.00 25.00 N ATOM 191 CA LEU A 13 20.544 -19.223 8.911 1.00 25.00 C ATOM 192 C LEU A 13 21.227 -19.556 10.211 1.00 25.00 C ATOM 193 O LEU A 13 21.464 -20.715 10.509 1.00 25.00 O ATOM 194 CB LEU A 13 21.605 -19.384 7.819 1.00 25.00 C ATOM 195 CG LEU A 13 21.262 -19.255 6.338 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.832 -19.689 6.002 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.519 -17.848 5.880 1.00 25.00 C ATOM 0 H LEU A 13 20.663 -17.144 8.613 1.00 25.00 H new ATOM 0 HA LEU A 13 19.695 -19.875 8.706 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.385 -18.651 8.027 1.00 25.00 H new ATOM 0 HB3 LEU A 13 22.050 -20.370 7.955 1.00 25.00 H new ATOM 0 HG LEU A 13 21.912 -19.943 5.798 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.658 -19.571 4.933 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.695 -20.734 6.279 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.125 -19.071 6.555 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.273 -17.759 4.822 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.900 -17.159 6.455 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.570 -17.603 6.030 1.00 25.00 H new ATOM 209 N TYR A 14 21.583 -18.523 10.956 1.00 25.00 N ATOM 210 CA TYR A 14 22.314 -18.679 12.200 1.00 25.00 C ATOM 211 C TYR A 14 21.866 -17.614 13.176 1.00 25.00 C ATOM 212 O TYR A 14 21.356 -16.572 12.769 1.00 25.00 O ATOM 213 CB TYR A 14 23.810 -18.492 11.966 1.00 25.00 C ATOM 214 CG TYR A 14 24.398 -19.430 10.939 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.540 -19.031 9.594 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.828 -20.719 11.306 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.088 -19.914 8.626 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.389 -21.599 10.347 1.00 25.00 C ATOM 219 CZ TYR A 14 25.509 -21.187 9.014 1.00 25.00 C ATOM 220 OH TYR A 14 26.049 -22.035 8.080 1.00 25.00 O ATOM 0 H TYR A 14 21.373 -17.554 10.715 1.00 25.00 H new ATOM 0 HA TYR A 14 22.121 -19.678 12.591 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.991 -17.465 11.649 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.334 -18.631 12.911 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.228 -18.041 9.296 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.729 -21.042 12.332 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.178 -19.602 7.596 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.722 -22.583 10.643 1.00 25.00 H new ATOM 0 HH TYR A 14 26.293 -22.882 8.509 1.00 25.00 H new ATOM 230 N ASP A 15 22.104 -17.863 14.450 1.00 25.00 N ATOM 231 CA ASP A 15 21.858 -16.894 15.506 1.00 25.00 C ATOM 232 C ASP A 15 22.824 -15.716 15.383 1.00 25.00 C ATOM 233 O ASP A 15 23.895 -15.823 14.770 1.00 25.00 O ATOM 234 CB ASP A 15 22.043 -17.589 16.852 1.00 25.00 C ATOM 235 CG ASP A 15 21.113 -18.774 17.011 1.00 25.00 C ATOM 236 OD1 ASP A 15 19.987 -18.570 17.492 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.438 -19.877 16.529 1.00 25.00 O ATOM 0 H ASP A 15 22.477 -18.751 14.786 1.00 25.00 H new ATOM 0 HA ASP A 15 20.842 -16.507 15.423 1.00 25.00 H new ATOM 0 HB2 ASP A 15 23.076 -17.923 16.949 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.862 -16.876 17.656 1.00 25.00 H new ATOM 242 N ASN A 16 22.426 -14.584 15.937 1.00 25.00 N ATOM 243 CA ASN A 16 23.172 -13.347 15.814 1.00 25.00 C ATOM 244 C ASN A 16 23.050 -12.551 17.105 1.00 25.00 C ATOM 245 O ASN A 16 21.971 -12.400 17.659 1.00 25.00 O ATOM 246 CB ASN A 16 22.599 -12.582 14.623 1.00 25.00 C ATOM 247 CG ASN A 16 22.402 -11.131 14.890 1.00 25.00 C ATOM 248 OD1 ASN A 16 21.306 -10.714 15.104 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.440 -10.361 14.828 1.00 25.00 N ATOM 0 H ASN A 16 21.572 -14.498 16.487 1.00 25.00 H new ATOM 0 HA ASN A 16 24.233 -13.534 15.646 1.00 25.00 H new ATOM 0 HB2 ASN A 16 23.268 -12.699 13.770 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.643 -13.025 14.342 1.00 25.00 H new ATOM 0 HD21 ASN A 16 23.338 -9.355 14.965 1.00 25.00 H new ATOM 0 HD22 ASN A 16 24.360 -10.760 14.642 1.00 25.00 H new ATOM 256 N VAL A 17 24.184 -12.072 17.586 1.00 25.00 N ATOM 257 CA VAL A 17 24.240 -11.275 18.799 1.00 25.00 C ATOM 258 C VAL A 17 24.764 -9.927 18.362 1.00 25.00 C ATOM 259 O VAL A 17 25.775 -9.845 17.651 1.00 25.00 O ATOM 260 CB VAL A 17 25.173 -11.914 19.872 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.245 -11.031 21.130 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.663 -13.310 20.254 1.00 25.00 C ATOM 0 H VAL A 17 25.092 -12.225 17.147 1.00 25.00 H new ATOM 0 HA VAL A 17 23.260 -11.203 19.270 1.00 25.00 H new ATOM 0 HB VAL A 17 26.172 -11.998 19.445 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.902 -11.497 21.865 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.637 -10.050 20.864 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.247 -10.920 21.554 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.323 -13.746 21.004 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.655 -13.230 20.660 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.649 -13.947 19.369 1.00 25.00 H new ATOM 272 N ALA A 18 24.044 -8.888 18.740 1.00 25.00 N ATOM 273 CA ALA A 18 24.406 -7.532 18.390 1.00 25.00 C ATOM 274 C ALA A 18 25.603 -7.097 19.231 1.00 25.00 C ATOM 275 O ALA A 18 25.540 -7.115 20.459 1.00 25.00 O ATOM 276 CB ALA A 18 23.215 -6.618 18.632 1.00 25.00 C ATOM 0 H ALA A 18 23.193 -8.962 19.298 1.00 25.00 H new ATOM 0 HA ALA A 18 24.682 -7.475 17.337 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.483 -5.594 18.370 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.376 -6.943 18.016 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.931 -6.661 19.684 1.00 25.00 H new ATOM 282 N GLU A 19 26.686 -6.726 18.565 1.00 25.00 N ATOM 283 CA GLU A 19 27.904 -6.260 19.244 1.00 25.00 C ATOM 284 C GLU A 19 28.030 -4.755 19.049 1.00 25.00 C ATOM 285 O GLU A 19 28.708 -4.062 19.797 1.00 25.00 O ATOM 286 CB GLU A 19 29.129 -6.976 18.671 1.00 25.00 C ATOM 287 CG GLU A 19 29.134 -8.463 19.005 1.00 25.00 C ATOM 288 CD GLU A 19 30.306 -9.213 18.379 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.044 -10.139 17.568 1.00 25.00 O ATOM 290 OE2 GLU A 19 31.468 -8.865 18.642 1.00 25.00 O ATOM 0 H GLU A 19 26.754 -6.736 17.547 1.00 25.00 H new ATOM 0 HA GLU A 19 27.843 -6.485 20.309 1.00 25.00 H new ATOM 0 HB2 GLU A 19 29.149 -6.848 17.589 1.00 25.00 H new ATOM 0 HB3 GLU A 19 30.035 -6.514 19.064 1.00 25.00 H new ATOM 0 HG2 GLU A 19 29.168 -8.586 20.087 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.200 -8.909 18.663 1.00 25.00 H new ATOM 297 N SER A 20 27.325 -4.268 18.040 1.00 25.00 N ATOM 298 CA SER A 20 27.255 -2.841 17.735 1.00 25.00 C ATOM 299 C SER A 20 25.859 -2.365 18.117 1.00 25.00 C ATOM 300 O SER A 20 24.896 -3.114 17.981 1.00 25.00 O ATOM 301 CB SER A 20 27.500 -2.626 16.238 1.00 25.00 C ATOM 302 OG SER A 20 27.270 -1.274 15.867 1.00 25.00 O ATOM 0 H SER A 20 26.781 -4.852 17.404 1.00 25.00 H new ATOM 0 HA SER A 20 28.011 -2.282 18.287 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.525 -2.904 15.991 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.845 -3.280 15.662 1.00 25.00 H new ATOM 0 HG SER A 20 27.435 -1.165 14.907 1.00 25.00 H new ATOM 308 N PRO A 21 25.721 -1.104 18.567 1.00 25.00 N ATOM 309 CA PRO A 21 24.381 -0.597 18.890 1.00 25.00 C ATOM 310 C PRO A 21 23.499 -0.424 17.655 1.00 25.00 C ATOM 311 O PRO A 21 22.278 -0.293 17.769 1.00 25.00 O ATOM 312 CB PRO A 21 24.681 0.749 19.553 1.00 25.00 C ATOM 313 CG PRO A 21 25.961 1.177 18.931 1.00 25.00 C ATOM 314 CD PRO A 21 26.754 -0.075 18.801 1.00 25.00 C ATOM 0 HA PRO A 21 23.818 -1.284 19.521 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.886 1.471 19.368 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.776 0.649 20.634 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.793 1.642 17.960 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.477 1.910 19.551 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.462 -0.019 17.974 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.332 -0.281 19.702 1.00 25.00 H new ATOM 322 N ASP A 22 24.114 -0.458 16.479 1.00 25.00 N ATOM 323 CA ASP A 22 23.399 -0.362 15.218 1.00 25.00 C ATOM 324 C ASP A 22 22.941 -1.737 14.770 1.00 25.00 C ATOM 325 O ASP A 22 22.253 -1.851 13.787 1.00 25.00 O ATOM 326 CB ASP A 22 24.338 0.186 14.131 1.00 25.00 C ATOM 327 CG ASP A 22 24.221 1.678 13.959 1.00 25.00 C ATOM 328 OD1 ASP A 22 23.572 2.113 12.981 1.00 25.00 O ATOM 329 OD2 ASP A 22 24.794 2.417 14.777 1.00 25.00 O ATOM 0 H ASP A 22 25.124 -0.553 16.376 1.00 25.00 H new ATOM 0 HA ASP A 22 22.543 0.297 15.362 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.367 -0.067 14.385 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.114 -0.303 13.183 1.00 25.00 H new ATOM 334 N GLU A 23 23.393 -2.784 15.438 1.00 25.00 N ATOM 335 CA GLU A 23 23.166 -4.148 14.973 1.00 25.00 C ATOM 336 C GLU A 23 21.919 -4.753 15.615 1.00 25.00 C ATOM 337 O GLU A 23 21.570 -4.438 16.752 1.00 25.00 O ATOM 338 CB GLU A 23 24.417 -4.998 15.267 1.00 25.00 C ATOM 339 CG GLU A 23 24.439 -6.353 14.571 1.00 25.00 C ATOM 340 CD GLU A 23 25.692 -7.163 14.866 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.834 -8.265 14.278 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.537 -6.730 15.690 1.00 25.00 O ATOM 0 H GLU A 23 23.922 -2.719 16.308 1.00 25.00 H new ATOM 0 HA GLU A 23 22.991 -4.133 13.897 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.301 -4.436 14.967 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.489 -5.155 16.343 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.564 -6.926 14.879 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.358 -6.202 13.495 1.00 25.00 H new ATOM 349 N LEU A 24 21.252 -5.634 14.885 1.00 25.00 N ATOM 350 CA LEU A 24 20.114 -6.370 15.427 1.00 25.00 C ATOM 351 C LEU A 24 20.608 -7.628 16.131 1.00 25.00 C ATOM 352 O LEU A 24 21.728 -8.069 15.907 1.00 25.00 O ATOM 353 CB LEU A 24 19.132 -6.752 14.312 1.00 25.00 C ATOM 354 CG LEU A 24 18.372 -5.586 13.663 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.450 -6.110 12.569 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.560 -4.828 14.712 1.00 25.00 C ATOM 0 H LEU A 24 21.477 -5.858 13.916 1.00 25.00 H new ATOM 0 HA LEU A 24 19.594 -5.731 16.140 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.683 -7.280 13.534 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.404 -7.454 14.719 1.00 25.00 H new ATOM 0 HG LEU A 24 19.096 -4.901 13.222 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.915 -5.276 12.114 1.00 25.00 H new ATOM 0 HD12 LEU A 24 18.041 -6.620 11.808 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.733 -6.809 13.001 1.00 25.00 H new ATOM 0 HD21 LEU A 24 17.028 -4.005 14.235 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.842 -5.505 15.175 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.230 -4.433 15.475 1.00 25.00 H new ATOM 368 N SER A 25 19.753 -8.200 16.964 1.00 25.00 N ATOM 369 CA SER A 25 20.051 -9.441 17.674 1.00 25.00 C ATOM 370 C SER A 25 18.903 -10.432 17.452 1.00 25.00 C ATOM 371 O SER A 25 17.803 -10.232 17.968 1.00 25.00 O ATOM 372 CB SER A 25 20.234 -9.149 19.161 1.00 25.00 C ATOM 373 OG SER A 25 19.752 -7.850 19.479 1.00 25.00 O ATOM 0 H SER A 25 18.830 -7.818 17.170 1.00 25.00 H new ATOM 0 HA SER A 25 20.974 -9.878 17.294 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.702 -9.895 19.752 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.289 -9.226 19.425 1.00 25.00 H new ATOM 0 HG SER A 25 19.876 -7.680 20.436 1.00 25.00 H new ATOM 379 N PHE A 26 19.137 -11.459 16.645 1.00 25.00 N ATOM 380 CA PHE A 26 18.091 -12.441 16.312 1.00 25.00 C ATOM 381 C PHE A 26 18.529 -13.901 16.430 1.00 25.00 C ATOM 382 O PHE A 26 19.707 -14.220 16.575 1.00 25.00 O ATOM 383 CB PHE A 26 17.530 -12.177 14.908 1.00 25.00 C ATOM 384 CG PHE A 26 18.567 -12.148 13.825 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.155 -13.335 13.342 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.947 -10.922 13.260 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.120 -13.288 12.291 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.898 -10.872 12.234 1.00 25.00 C ATOM 389 CZ PHE A 26 20.481 -12.058 11.735 1.00 25.00 C ATOM 0 H PHE A 26 20.039 -11.641 16.205 1.00 25.00 H new ATOM 0 HA PHE A 26 17.315 -12.298 17.064 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.796 -12.948 14.672 1.00 25.00 H new ATOM 0 HB3 PHE A 26 17.001 -11.224 14.914 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.874 -14.286 13.770 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.501 -10.007 13.620 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.569 -14.200 11.927 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.189 -9.918 11.820 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.200 -12.014 10.930 1.00 25.00 H new ATOM 399 N ARG A 27 17.536 -14.780 16.367 1.00 25.00 N ATOM 400 CA ARG A 27 17.712 -16.221 16.537 1.00 25.00 C ATOM 401 C ARG A 27 17.631 -16.890 15.168 1.00 25.00 C ATOM 402 O ARG A 27 16.978 -16.404 14.252 1.00 25.00 O ATOM 403 CB ARG A 27 16.608 -16.697 17.519 1.00 25.00 C ATOM 404 CG ARG A 27 15.988 -18.086 17.312 1.00 25.00 C ATOM 405 CD ARG A 27 16.918 -19.176 17.766 1.00 25.00 C ATOM 406 NE ARG A 27 16.437 -20.523 17.439 1.00 25.00 N ATOM 407 CZ ARG A 27 17.205 -21.604 17.387 1.00 25.00 C ATOM 408 NH1 ARG A 27 18.501 -21.557 17.611 1.00 25.00 N ATOM 409 NH2 ARG A 27 16.662 -22.751 17.099 1.00 25.00 N ATOM 0 H ARG A 27 16.568 -14.509 16.193 1.00 25.00 H new ATOM 0 HA ARG A 27 18.683 -16.485 16.955 1.00 25.00 H new ATOM 0 HB2 ARG A 27 17.026 -16.668 18.525 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.800 -15.966 17.488 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.050 -18.153 17.863 1.00 25.00 H new ATOM 0 HG3 ARG A 27 15.749 -18.226 16.258 1.00 25.00 H new ATOM 0 HD2 ARG A 27 17.895 -19.025 17.307 1.00 25.00 H new ATOM 0 HD3 ARG A 27 17.057 -19.099 18.844 1.00 25.00 H new ATOM 0 HE ARG A 27 15.444 -20.636 17.238 1.00 25.00 H new ATOM 0 HH11 ARG A 27 18.948 -20.668 17.834 1.00 25.00 H new ATOM 0 HH12 ARG A 27 19.058 -22.410 17.562 1.00 25.00 H new ATOM 0 HH21 ARG A 27 15.660 -22.810 16.917 1.00 25.00 H new ATOM 0 HH22 ARG A 27 17.238 -23.591 17.055 1.00 25.00 H new ATOM 423 N LYS A 28 18.315 -18.015 15.031 1.00 25.00 N ATOM 424 CA LYS A 28 18.276 -18.795 13.791 1.00 25.00 C ATOM 425 C LYS A 28 16.840 -19.155 13.438 1.00 25.00 C ATOM 426 O LYS A 28 16.117 -19.723 14.249 1.00 25.00 O ATOM 427 CB LYS A 28 19.092 -20.078 13.968 1.00 25.00 C ATOM 428 CG LYS A 28 19.009 -21.035 12.789 1.00 25.00 C ATOM 429 CD LYS A 28 20.009 -22.166 12.953 1.00 25.00 C ATOM 430 CE LYS A 28 19.949 -23.134 11.784 1.00 25.00 C ATOM 431 NZ LYS A 28 21.195 -23.942 11.744 1.00 25.00 N ATOM 0 H LYS A 28 18.906 -18.414 15.760 1.00 25.00 H new ATOM 0 HA LYS A 28 18.700 -18.196 12.985 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.136 -19.812 14.133 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.749 -20.593 14.865 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.000 -21.441 12.713 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.207 -20.498 11.862 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.015 -21.755 13.035 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.806 -22.701 13.881 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.082 -23.788 11.884 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.829 -22.585 10.850 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.154 -24.605 10.943 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 22.014 -23.311 11.629 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.291 -24.476 12.631 1.00 25.00 H new ATOM 445 N GLY A 29 16.450 -18.843 12.211 1.00 25.00 N ATOM 446 CA GLY A 29 15.106 -19.119 11.740 1.00 25.00 C ATOM 447 C GLY A 29 14.208 -17.897 11.715 1.00 25.00 C ATOM 448 O GLY A 29 13.143 -17.952 11.098 1.00 25.00 O ATOM 0 H GLY A 29 17.053 -18.395 11.521 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.161 -19.539 10.736 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.655 -19.878 12.379 1.00 25.00 H new ATOM 452 N ASP A 30 14.626 -16.807 12.343 1.00 25.00 N ATOM 453 CA ASP A 30 13.815 -15.590 12.401 1.00 25.00 C ATOM 454 C ASP A 30 13.712 -14.944 11.032 1.00 25.00 C ATOM 455 O ASP A 30 14.572 -15.158 10.166 1.00 25.00 O ATOM 456 CB ASP A 30 14.435 -14.572 13.364 1.00 25.00 C ATOM 457 CG ASP A 30 14.163 -14.901 14.821 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.845 -14.326 15.698 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.264 -15.723 15.096 1.00 25.00 O ATOM 0 H ASP A 30 15.524 -16.736 12.822 1.00 25.00 H new ATOM 0 HA ASP A 30 12.823 -15.878 12.750 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.512 -14.532 13.200 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.042 -13.580 13.140 1.00 25.00 H new ATOM 464 N ILE A 31 12.672 -14.138 10.850 1.00 25.00 N ATOM 465 CA ILE A 31 12.443 -13.410 9.602 1.00 25.00 C ATOM 466 C ILE A 31 12.509 -11.920 9.874 1.00 25.00 C ATOM 467 O ILE A 31 11.841 -11.425 10.772 1.00 25.00 O ATOM 468 CB ILE A 31 11.039 -13.716 8.996 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.877 -15.221 8.727 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.816 -12.911 7.683 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.929 -15.821 7.819 1.00 25.00 C ATOM 0 H ILE A 31 11.962 -13.969 11.563 1.00 25.00 H new ATOM 0 HA ILE A 31 13.211 -13.727 8.896 1.00 25.00 H new ATOM 0 HB ILE A 31 10.287 -13.410 9.723 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.895 -15.750 9.680 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.895 -15.393 8.286 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.830 -13.141 7.278 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.882 -11.844 7.895 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.580 -13.184 6.955 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.732 -16.885 7.688 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.899 -15.324 6.849 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.914 -15.687 8.265 1.00 25.00 H new ATOM 483 N MET A 32 13.286 -11.216 9.068 1.00 25.00 N ATOM 484 CA MET A 32 13.389 -9.765 9.162 1.00 25.00 C ATOM 485 C MET A 32 13.164 -9.159 7.798 1.00 25.00 C ATOM 486 O MET A 32 13.341 -9.817 6.766 1.00 25.00 O ATOM 487 CB MET A 32 14.767 -9.360 9.689 1.00 25.00 C ATOM 488 CG MET A 32 15.930 -9.927 8.907 1.00 25.00 C ATOM 489 SD MET A 32 17.223 -10.394 10.035 1.00 25.00 S ATOM 490 CE MET A 32 16.503 -11.939 10.779 1.00 25.00 C ATOM 0 H MET A 32 13.861 -11.629 8.333 1.00 25.00 H new ATOM 0 HA MET A 32 12.632 -9.399 9.855 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.838 -8.272 9.684 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.853 -9.680 10.727 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.607 -10.792 8.328 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.300 -9.188 8.197 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.546 -11.874 11.866 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.465 -12.046 10.463 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.075 -12.805 10.444 1.00 25.00 H new ATOM 500 N THR A 33 12.762 -7.905 7.803 1.00 25.00 N ATOM 501 CA THR A 33 12.498 -7.169 6.573 1.00 25.00 C ATOM 502 C THR A 33 13.757 -6.433 6.157 1.00 25.00 C ATOM 503 O THR A 33 14.196 -5.540 6.855 1.00 25.00 O ATOM 504 CB THR A 33 11.380 -6.135 6.789 1.00 25.00 C ATOM 505 OG1 THR A 33 10.179 -6.820 7.156 1.00 25.00 O ATOM 506 CG2 THR A 33 11.117 -5.328 5.531 1.00 25.00 C ATOM 0 H THR A 33 12.608 -7.364 8.654 1.00 25.00 H new ATOM 0 HA THR A 33 12.190 -7.876 5.803 1.00 25.00 H new ATOM 0 HB THR A 33 11.696 -5.451 7.576 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.461 -6.168 7.297 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.321 -4.608 5.721 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.025 -4.798 5.242 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.816 -5.998 4.725 1.00 25.00 H new ATOM 514 N VAL A 34 14.339 -6.810 5.030 1.00 25.00 N ATOM 515 CA VAL A 34 15.541 -6.156 4.521 1.00 25.00 C ATOM 516 C VAL A 34 15.140 -4.854 3.859 1.00 25.00 C ATOM 517 O VAL A 34 14.284 -4.825 2.974 1.00 25.00 O ATOM 518 CB VAL A 34 16.284 -7.030 3.496 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.607 -6.375 3.066 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.543 -8.398 4.094 1.00 25.00 C ATOM 0 H VAL A 34 13.997 -7.572 4.444 1.00 25.00 H new ATOM 0 HA VAL A 34 16.214 -5.982 5.361 1.00 25.00 H new ATOM 0 HB VAL A 34 15.661 -7.134 2.608 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.111 -7.015 2.341 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.402 -5.405 2.613 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.247 -6.241 3.938 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.069 -9.018 3.369 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.152 -8.293 4.992 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.594 -8.868 4.352 1.00 25.00 H new ATOM 530 N LEU A 35 15.744 -3.778 4.317 1.00 25.00 N ATOM 531 CA LEU A 35 15.456 -2.457 3.813 1.00 25.00 C ATOM 532 C LEU A 35 16.494 -2.073 2.781 1.00 25.00 C ATOM 533 O LEU A 35 16.151 -1.661 1.693 1.00 25.00 O ATOM 534 CB LEU A 35 15.460 -1.475 4.976 1.00 25.00 C ATOM 535 CG LEU A 35 14.416 -1.780 6.051 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.646 -0.858 7.195 1.00 25.00 C ATOM 537 CD2 LEU A 35 12.986 -1.635 5.543 1.00 25.00 C ATOM 0 H LEU A 35 16.451 -3.798 5.052 1.00 25.00 H new ATOM 0 HA LEU A 35 14.476 -2.439 3.337 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.449 -1.474 5.434 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.287 -0.470 4.590 1.00 25.00 H new ATOM 0 HG LEU A 35 14.531 -2.821 6.355 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.912 -1.057 7.976 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.649 -1.014 7.592 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.546 0.173 6.857 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.289 -1.864 6.349 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.823 -0.613 5.201 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.822 -2.325 4.715 1.00 25.00 H new ATOM 549 N GLU A 36 17.762 -2.297 3.076 1.00 25.00 N ATOM 550 CA GLU A 36 18.808 -2.090 2.075 1.00 25.00 C ATOM 551 C GLU A 36 19.963 -3.025 2.387 1.00 25.00 C ATOM 552 O GLU A 36 19.964 -3.690 3.425 1.00 25.00 O ATOM 553 CB GLU A 36 19.270 -0.621 2.028 1.00 25.00 C ATOM 554 CG GLU A 36 20.188 -0.201 3.100 1.00 25.00 C ATOM 555 CD GLU A 36 20.481 1.285 3.077 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.923 1.797 2.035 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.297 1.939 4.127 1.00 25.00 O ATOM 0 H GLU A 36 18.095 -2.618 3.985 1.00 25.00 H new ATOM 0 HA GLU A 36 18.410 -2.316 1.086 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.757 -0.444 1.069 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.388 0.018 2.060 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.757 -0.466 4.065 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.124 -0.752 3.007 1.00 25.00 H new ATOM 564 N ARG A 37 20.939 -3.092 1.498 1.00 25.00 N ATOM 565 CA ARG A 37 22.112 -3.933 1.705 1.00 25.00 C ATOM 566 C ARG A 37 23.312 -3.045 1.508 1.00 25.00 C ATOM 567 O ARG A 37 23.222 -2.083 0.758 1.00 25.00 O ATOM 568 CB ARG A 37 22.152 -5.067 0.690 1.00 25.00 C ATOM 569 CG ARG A 37 20.927 -5.980 0.742 1.00 25.00 C ATOM 570 CD ARG A 37 21.158 -7.232 -0.079 1.00 25.00 C ATOM 571 NE ARG A 37 21.709 -6.905 -1.405 1.00 25.00 N ATOM 572 CZ ARG A 37 22.216 -7.780 -2.262 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.247 -9.070 -2.013 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.706 -7.349 -3.390 1.00 25.00 N ATOM 0 H ARG A 37 20.945 -2.572 0.620 1.00 25.00 H new ATOM 0 HA ARG A 37 22.092 -4.379 2.699 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.237 -4.644 -0.311 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.047 -5.665 0.861 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.713 -6.251 1.776 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.054 -5.448 0.365 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.843 -7.895 0.449 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.218 -7.772 -0.196 1.00 25.00 H new ATOM 0 HE ARG A 37 21.700 -5.925 -1.687 1.00 25.00 H new ATOM 0 HH11 ARG A 37 21.872 -9.429 -1.135 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.646 -9.712 -2.698 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.696 -6.351 -3.603 1.00 25.00 H new ATOM 0 HH22 ARG A 37 23.100 -8.009 -4.060 1.00 25.00 H new ATOM 588 N ASP A 38 24.401 -3.376 2.188 1.00 25.00 N ATOM 589 CA ASP A 38 25.672 -2.657 2.090 1.00 25.00 C ATOM 590 C ASP A 38 25.430 -1.205 2.534 1.00 25.00 C ATOM 591 O ASP A 38 25.970 -0.231 2.009 1.00 25.00 O ATOM 592 CB ASP A 38 26.250 -2.844 0.682 1.00 25.00 C ATOM 593 CG ASP A 38 26.206 -4.322 0.245 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.700 -5.187 1.021 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.533 -4.644 -0.766 1.00 25.00 O ATOM 0 H ASP A 38 24.431 -4.164 2.835 1.00 25.00 H new ATOM 0 HA ASP A 38 26.440 -3.049 2.756 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.687 -2.237 -0.027 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.280 -2.487 0.660 1.00 25.00 H new ATOM 600 N THR A 39 24.549 -1.114 3.524 1.00 25.00 N ATOM 601 CA THR A 39 24.085 0.151 4.095 1.00 25.00 C ATOM 602 C THR A 39 25.217 0.904 4.767 1.00 25.00 C ATOM 603 O THR A 39 26.121 0.294 5.310 1.00 25.00 O ATOM 604 CB THR A 39 22.971 -0.115 5.145 1.00 25.00 C ATOM 605 OG1 THR A 39 22.513 1.115 5.710 1.00 25.00 O ATOM 606 CG2 THR A 39 23.432 -1.024 6.244 1.00 25.00 C ATOM 0 H THR A 39 24.127 -1.932 3.963 1.00 25.00 H new ATOM 0 HA THR A 39 23.696 0.757 3.277 1.00 25.00 H new ATOM 0 HB THR A 39 22.154 -0.609 4.619 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.690 1.396 5.258 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.619 -1.180 6.953 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.733 -1.982 5.821 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.280 -0.572 6.759 1.00 25.00 H new ATOM 614 N GLN A 40 25.167 2.228 4.703 1.00 25.00 N ATOM 615 CA GLN A 40 26.196 3.123 5.264 1.00 25.00 C ATOM 616 C GLN A 40 27.598 2.866 4.683 1.00 25.00 C ATOM 617 O GLN A 40 28.593 3.323 5.227 1.00 25.00 O ATOM 618 CB GLN A 40 26.237 3.039 6.804 1.00 25.00 C ATOM 619 CG GLN A 40 24.870 3.034 7.471 1.00 25.00 C ATOM 620 CD GLN A 40 24.936 3.433 8.936 1.00 25.00 C ATOM 621 OE1 GLN A 40 25.348 4.527 9.267 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.505 2.555 9.806 1.00 25.00 N ATOM 0 H GLN A 40 24.400 2.729 4.254 1.00 25.00 H new ATOM 0 HA GLN A 40 25.904 4.132 4.971 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.771 2.134 7.092 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.811 3.883 7.186 1.00 25.00 H new ATOM 0 HG2 GLN A 40 24.208 3.719 6.941 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.432 2.039 7.388 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.167 1.647 9.489 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.508 2.779 10.801 1.00 25.00 H new ATOM 631 N GLY A 41 27.671 2.120 3.587 1.00 25.00 N ATOM 632 CA GLY A 41 28.950 1.759 2.994 1.00 25.00 C ATOM 633 C GLY A 41 29.577 0.579 3.713 1.00 25.00 C ATOM 634 O GLY A 41 30.755 0.280 3.535 1.00 25.00 O ATOM 0 H GLY A 41 26.858 1.754 3.092 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.809 1.513 1.941 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.626 2.613 3.034 1.00 25.00 H new ATOM 638 N LEU A 42 28.793 -0.087 4.550 1.00 25.00 N ATOM 639 CA LEU A 42 29.262 -1.229 5.304 1.00 25.00 C ATOM 640 C LEU A 42 29.021 -2.474 4.468 1.00 25.00 C ATOM 641 O LEU A 42 27.960 -3.092 4.543 1.00 25.00 O ATOM 642 CB LEU A 42 28.517 -1.306 6.633 1.00 25.00 C ATOM 643 CG LEU A 42 28.613 -0.070 7.533 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.588 -0.170 8.635 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.983 0.060 8.125 1.00 25.00 C ATOM 0 H LEU A 42 27.817 0.153 4.721 1.00 25.00 H new ATOM 0 HA LEU A 42 30.326 -1.141 5.524 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.464 -1.498 6.425 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.894 -2.165 7.188 1.00 25.00 H new ATOM 0 HG LEU A 42 28.419 0.815 6.927 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.656 0.709 9.276 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.590 -0.226 8.200 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.776 -1.066 9.227 1.00 25.00 H new ATOM 0 HD21 LEU A 42 30.023 0.946 8.759 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.207 -0.824 8.722 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.718 0.153 7.325 1.00 25.00 H new ATOM 657 N ASP A 43 29.993 -2.817 3.646 1.00 25.00 N ATOM 658 CA ASP A 43 29.862 -3.965 2.751 1.00 25.00 C ATOM 659 C ASP A 43 29.549 -5.226 3.553 1.00 25.00 C ATOM 660 O ASP A 43 30.201 -5.531 4.556 1.00 25.00 O ATOM 661 CB ASP A 43 31.150 -4.195 1.962 1.00 25.00 C ATOM 662 CG ASP A 43 31.325 -3.206 0.826 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.380 -3.036 0.028 1.00 25.00 O ATOM 664 OD2 ASP A 43 32.430 -2.633 0.704 1.00 25.00 O ATOM 0 H ASP A 43 30.882 -2.323 3.574 1.00 25.00 H new ATOM 0 HA ASP A 43 29.049 -3.752 2.057 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.003 -4.121 2.637 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.149 -5.208 1.559 1.00 25.00 H new ATOM 669 N GLY A 44 28.529 -5.951 3.120 1.00 25.00 N ATOM 670 CA GLY A 44 28.133 -7.177 3.796 1.00 25.00 C ATOM 671 C GLY A 44 27.137 -6.980 4.924 1.00 25.00 C ATOM 672 O GLY A 44 26.518 -7.954 5.370 1.00 25.00 O ATOM 0 H GLY A 44 27.962 -5.713 2.306 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.702 -7.858 3.063 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.024 -7.661 4.196 1.00 25.00 H new ATOM 676 N TRP A 45 26.952 -5.748 5.385 1.00 25.00 N ATOM 677 CA TRP A 45 25.979 -5.450 6.417 1.00 25.00 C ATOM 678 C TRP A 45 24.680 -5.035 5.748 1.00 25.00 C ATOM 679 O TRP A 45 24.671 -4.209 4.850 1.00 25.00 O ATOM 680 CB TRP A 45 26.521 -4.319 7.278 1.00 25.00 C ATOM 681 CG TRP A 45 27.595 -4.792 8.213 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.933 -4.618 8.096 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.412 -5.530 9.429 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.607 -5.169 9.144 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.702 -5.755 9.987 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.285 -6.018 10.111 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.886 -6.460 11.191 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.459 -6.706 11.317 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.756 -6.926 11.849 1.00 25.00 C ATOM 0 H TRP A 45 27.471 -4.935 5.053 1.00 25.00 H new ATOM 0 HA TRP A 45 25.794 -6.320 7.046 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.919 -3.533 6.636 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.707 -3.879 7.854 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.408 -4.105 7.273 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.618 -5.148 9.278 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.295 -5.864 9.709 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.875 -6.633 11.590 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.595 -7.074 11.850 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.866 -7.464 12.779 1.00 25.00 H new ATOM 700 N TRP A 46 23.575 -5.639 6.146 1.00 25.00 N ATOM 701 CA TRP A 46 22.282 -5.368 5.517 1.00 25.00 C ATOM 702 C TRP A 46 21.353 -4.727 6.530 1.00 25.00 C ATOM 703 O TRP A 46 21.174 -5.248 7.622 1.00 25.00 O ATOM 704 CB TRP A 46 21.671 -6.674 4.981 1.00 25.00 C ATOM 705 CG TRP A 46 22.512 -7.359 3.906 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.637 -6.892 3.301 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.278 -8.651 3.307 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.123 -7.768 2.379 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.321 -8.874 2.359 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.292 -9.647 3.468 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.398 -10.052 1.581 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.380 -10.836 2.709 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.428 -11.022 1.763 1.00 25.00 C ATOM 0 H TRP A 46 23.541 -6.322 6.902 1.00 25.00 H new ATOM 0 HA TRP A 46 22.423 -4.685 4.680 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.530 -7.365 5.812 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.683 -6.460 4.573 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.091 -5.938 3.526 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.949 -7.623 1.799 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.479 -9.502 4.164 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.193 -10.191 0.863 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.643 -11.613 2.848 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.466 -11.931 1.181 1.00 25.00 H new ATOM 724 N LEU A 47 20.776 -3.592 6.176 1.00 25.00 N ATOM 725 CA LEU A 47 19.842 -2.904 7.058 1.00 25.00 C ATOM 726 C LEU A 47 18.555 -3.681 7.031 1.00 25.00 C ATOM 727 O LEU A 47 17.956 -3.848 5.970 1.00 25.00 O ATOM 728 CB LEU A 47 19.569 -1.487 6.556 1.00 25.00 C ATOM 729 CG LEU A 47 18.570 -0.648 7.361 1.00 25.00 C ATOM 730 CD1 LEU A 47 18.999 -0.476 8.804 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.388 0.711 6.707 1.00 25.00 C ATOM 0 H LEU A 47 20.936 -3.125 5.284 1.00 25.00 H new ATOM 0 HA LEU A 47 20.258 -2.839 8.063 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.517 -0.949 6.525 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.207 -1.554 5.530 1.00 25.00 H new ATOM 0 HG LEU A 47 17.621 -1.184 7.365 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.260 0.125 9.334 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.079 -1.454 9.279 1.00 25.00 H new ATOM 0 HD13 LEU A 47 19.967 0.025 8.839 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.677 1.301 7.285 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.346 1.230 6.673 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.010 0.579 5.693 1.00 25.00 H new ATOM 743 N CYS A 48 18.120 -4.150 8.181 1.00 25.00 N ATOM 744 CA CYS A 48 16.874 -4.877 8.271 1.00 25.00 C ATOM 745 C CYS A 48 16.060 -4.362 9.435 1.00 25.00 C ATOM 746 O CYS A 48 16.555 -3.610 10.270 1.00 25.00 O ATOM 747 CB CYS A 48 17.129 -6.382 8.429 1.00 25.00 C ATOM 748 SG CYS A 48 18.327 -7.055 7.248 1.00 25.00 S ATOM 0 H CYS A 48 18.612 -4.040 9.067 1.00 25.00 H new ATOM 0 HA CYS A 48 16.317 -4.721 7.347 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.484 -6.576 9.441 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.184 -6.914 8.316 1.00 25.00 H new ATOM 0 HG CYS A 48 19.445 -6.399 7.342 1.00 25.00 H new ATOM 754 N SER A 49 14.809 -4.778 9.480 1.00 25.00 N ATOM 755 CA SER A 49 13.907 -4.423 10.555 1.00 25.00 C ATOM 756 C SER A 49 13.333 -5.712 11.126 1.00 25.00 C ATOM 757 O SER A 49 12.900 -6.602 10.391 1.00 25.00 O ATOM 758 CB SER A 49 12.830 -3.474 10.030 1.00 25.00 C ATOM 759 OG SER A 49 11.557 -4.089 9.946 1.00 25.00 O ATOM 0 H SER A 49 14.389 -5.375 8.767 1.00 25.00 H new ATOM 0 HA SER A 49 14.423 -3.893 11.355 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.767 -2.604 10.684 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.120 -3.111 9.044 1.00 25.00 H new ATOM 0 HG SER A 49 10.903 -3.442 9.607 1.00 25.00 H new ATOM 765 N LEU A 50 13.425 -5.837 12.441 1.00 25.00 N ATOM 766 CA LEU A 50 12.997 -7.030 13.151 1.00 25.00 C ATOM 767 C LEU A 50 12.394 -6.562 14.460 1.00 25.00 C ATOM 768 O LEU A 50 12.983 -5.724 15.129 1.00 25.00 O ATOM 769 CB LEU A 50 14.200 -7.930 13.441 1.00 25.00 C ATOM 770 CG LEU A 50 13.873 -9.225 14.186 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.958 -10.401 13.271 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.812 -9.392 15.358 1.00 25.00 C ATOM 0 H LEU A 50 13.801 -5.109 13.048 1.00 25.00 H new ATOM 0 HA LEU A 50 12.280 -7.599 12.558 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.681 -8.183 12.496 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.925 -7.365 14.027 1.00 25.00 H new ATOM 0 HG LEU A 50 12.850 -9.166 14.558 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.721 -11.310 13.824 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.248 -10.278 12.454 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.967 -10.475 12.866 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.575 -10.316 15.885 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.840 -9.433 14.998 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.700 -8.547 16.038 1.00 25.00 H new ATOM 784 N HIS A 51 11.201 -7.048 14.786 1.00 25.00 N ATOM 785 CA HIS A 51 10.480 -6.663 16.016 1.00 25.00 C ATOM 786 C HIS A 51 10.276 -5.138 16.100 1.00 25.00 C ATOM 787 O HIS A 51 10.183 -4.573 17.177 1.00 25.00 O ATOM 788 CB HIS A 51 11.231 -7.158 17.268 1.00 25.00 C ATOM 789 CG HIS A 51 11.494 -8.636 17.271 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.461 -9.244 18.033 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.893 -9.650 16.591 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.413 -10.554 17.795 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.469 -10.857 16.928 1.00 25.00 N ATOM 0 H HIS A 51 10.697 -7.722 14.210 1.00 25.00 H new ATOM 0 HA HIS A 51 9.499 -7.137 15.977 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.181 -6.629 17.343 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.651 -6.900 18.154 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.082 -9.527 15.889 1.00 25.00 H new ATOM 0 HE1 HIS A 51 13.068 -11.278 18.256 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.218 -11.783 16.581 1.00 25.00 H new ATOM 801 N GLY A 52 10.224 -4.480 14.948 1.00 25.00 N ATOM 802 CA GLY A 52 10.048 -3.034 14.909 1.00 25.00 C ATOM 803 C GLY A 52 11.322 -2.245 15.173 1.00 25.00 C ATOM 804 O GLY A 52 11.279 -1.020 15.224 1.00 25.00 O ATOM 0 H GLY A 52 10.301 -4.923 14.032 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.655 -2.753 13.932 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.298 -2.750 15.647 1.00 25.00 H new ATOM 808 N ARG A 53 12.460 -2.919 15.317 1.00 25.00 N ATOM 809 CA ARG A 53 13.742 -2.261 15.560 1.00 25.00 C ATOM 810 C ARG A 53 14.495 -2.386 14.254 1.00 25.00 C ATOM 811 O ARG A 53 14.486 -3.437 13.630 1.00 25.00 O ATOM 812 CB ARG A 53 14.504 -2.975 16.701 1.00 25.00 C ATOM 813 CG ARG A 53 15.480 -2.086 17.522 1.00 25.00 C ATOM 814 CD ARG A 53 16.780 -1.835 16.755 1.00 25.00 C ATOM 815 NE ARG A 53 17.896 -1.340 17.586 1.00 25.00 N ATOM 816 CZ ARG A 53 18.257 -0.066 17.718 1.00 25.00 C ATOM 817 NH1 ARG A 53 17.600 0.918 17.160 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.320 0.221 18.417 1.00 25.00 N ATOM 0 H ARG A 53 12.520 -3.936 15.269 1.00 25.00 H new ATOM 0 HA ARG A 53 13.624 -1.221 15.865 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.774 -3.408 17.385 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.069 -3.803 16.273 1.00 25.00 H new ATOM 0 HG2 ARG A 53 15.002 -1.134 17.753 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.704 -2.570 18.473 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.087 -2.763 16.272 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.586 -1.112 15.962 1.00 25.00 H new ATOM 0 HE ARG A 53 18.436 -2.034 18.103 1.00 25.00 H new ATOM 0 HH11 ARG A 53 16.773 0.724 16.595 1.00 25.00 H new ATOM 0 HH12 ARG A 53 17.915 1.880 17.289 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.861 -0.526 18.853 1.00 25.00 H new ATOM 0 HH22 ARG A 53 19.610 1.192 18.528 1.00 25.00 H new ATOM 832 N GLN A 54 15.136 -1.314 13.844 1.00 25.00 N ATOM 833 CA GLN A 54 15.924 -1.303 12.618 1.00 25.00 C ATOM 834 C GLN A 54 17.399 -1.360 12.967 1.00 25.00 C ATOM 835 O GLN A 54 17.826 -0.720 13.925 1.00 25.00 O ATOM 836 CB GLN A 54 15.653 -0.018 11.846 1.00 25.00 C ATOM 837 CG GLN A 54 14.807 -0.229 10.624 1.00 25.00 C ATOM 838 CD GLN A 54 14.510 1.061 9.886 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.366 1.361 9.592 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.533 1.818 9.579 1.00 25.00 N ATOM 0 H GLN A 54 15.130 -0.425 14.344 1.00 25.00 H new ATOM 0 HA GLN A 54 15.650 -2.164 12.009 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.158 0.696 12.504 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.603 0.427 11.550 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.315 -0.919 9.950 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.868 -0.701 10.914 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.476 1.532 9.843 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.387 2.693 9.076 1.00 25.00 H new ATOM 849 N GLY A 55 18.174 -2.102 12.191 1.00 25.00 N ATOM 850 CA GLY A 55 19.605 -2.181 12.426 1.00 25.00 C ATOM 851 C GLY A 55 20.327 -3.000 11.376 1.00 25.00 C ATOM 852 O GLY A 55 19.682 -3.615 10.523 1.00 25.00 O ATOM 0 H GLY A 55 17.839 -2.653 11.401 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.022 -1.174 12.445 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.784 -2.619 13.408 1.00 25.00 H new ATOM 856 N ILE A 56 21.651 -2.996 11.409 1.00 25.00 N ATOM 857 CA ILE A 56 22.448 -3.744 10.442 1.00 25.00 C ATOM 858 C ILE A 56 22.496 -5.211 10.851 1.00 25.00 C ATOM 859 O ILE A 56 22.312 -5.565 12.018 1.00 25.00 O ATOM 860 CB ILE A 56 23.889 -3.158 10.288 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.684 -3.309 11.602 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.795 -1.669 9.890 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.123 -2.782 11.541 1.00 25.00 C ATOM 0 H ILE A 56 22.200 -2.481 12.097 1.00 25.00 H new ATOM 0 HA ILE A 56 21.971 -3.656 9.466 1.00 25.00 H new ATOM 0 HB ILE A 56 24.415 -3.711 9.510 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.152 -2.784 12.396 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.708 -4.363 11.878 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.798 -1.257 9.782 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.262 -1.578 8.944 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.259 -1.119 10.663 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.606 -2.929 12.507 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.676 -3.323 10.773 1.00 25.00 H new ATOM 0 HD13 ILE A 56 26.111 -1.719 11.299 1.00 25.00 H new ATOM 875 N VAL A 57 22.709 -6.063 9.863 1.00 25.00 N ATOM 876 CA VAL A 57 22.749 -7.510 10.047 1.00 25.00 C ATOM 877 C VAL A 57 23.865 -8.078 9.183 1.00 25.00 C ATOM 878 O VAL A 57 24.015 -7.676 8.033 1.00 25.00 O ATOM 879 CB VAL A 57 21.420 -8.147 9.563 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.463 -9.658 9.573 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.254 -7.627 10.397 1.00 25.00 C ATOM 0 H VAL A 57 22.861 -5.770 8.898 1.00 25.00 H new ATOM 0 HA VAL A 57 22.907 -7.728 11.103 1.00 25.00 H new ATOM 0 HB VAL A 57 21.275 -7.849 8.524 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.508 -10.051 9.225 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.259 -10.004 8.914 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.653 -10.010 10.587 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.326 -8.081 10.048 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.413 -7.884 11.444 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.189 -6.544 10.295 1.00 25.00 H new ATOM 891 N PRO A 58 24.635 -9.050 9.697 1.00 25.00 N ATOM 892 CA PRO A 58 25.640 -9.678 8.837 1.00 25.00 C ATOM 893 C PRO A 58 24.982 -10.549 7.765 1.00 25.00 C ATOM 894 O PRO A 58 24.415 -11.611 8.059 1.00 25.00 O ATOM 895 CB PRO A 58 26.459 -10.507 9.825 1.00 25.00 C ATOM 896 CG PRO A 58 25.494 -10.860 10.909 1.00 25.00 C ATOM 897 CD PRO A 58 24.598 -9.659 11.039 1.00 25.00 C ATOM 0 HA PRO A 58 26.247 -8.964 8.280 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.867 -11.400 9.351 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.303 -9.939 10.215 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.923 -11.753 10.654 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.011 -11.070 11.845 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.585 -9.944 11.322 1.00 25.00 H new ATOM 0 HD3 PRO A 58 24.960 -8.970 11.802 1.00 25.00 H new ATOM 905 N GLY A 59 25.061 -10.113 6.516 1.00 25.00 N ATOM 906 CA GLY A 59 24.459 -10.845 5.411 1.00 25.00 C ATOM 907 C GLY A 59 25.012 -12.251 5.277 1.00 25.00 C ATOM 908 O GLY A 59 24.351 -13.143 4.767 1.00 25.00 O ATOM 0 H GLY A 59 25.537 -9.254 6.242 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.380 -10.895 5.557 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.630 -10.300 4.482 1.00 25.00 H new ATOM 912 N ASN A 60 26.204 -12.466 5.815 1.00 25.00 N ATOM 913 CA ASN A 60 26.842 -13.788 5.810 1.00 25.00 C ATOM 914 C ASN A 60 26.050 -14.833 6.627 1.00 25.00 C ATOM 915 O ASN A 60 26.254 -16.038 6.476 1.00 25.00 O ATOM 916 CB ASN A 60 28.267 -13.662 6.363 1.00 25.00 C ATOM 917 CG ASN A 60 29.146 -14.832 5.978 1.00 25.00 C ATOM 918 OD1 ASN A 60 28.921 -15.495 4.982 1.00 25.00 O ATOM 919 ND2 ASN A 60 30.169 -15.065 6.750 1.00 25.00 N ATOM 0 H ASN A 60 26.759 -11.738 6.266 1.00 25.00 H new ATOM 0 HA ASN A 60 26.863 -14.142 4.779 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.715 -12.739 5.995 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.226 -13.585 7.450 1.00 25.00 H new ATOM 0 HD21 ASN A 60 30.813 -15.824 6.528 1.00 25.00 H new ATOM 0 HD22 ASN A 60 30.326 -14.488 7.577 1.00 25.00 H new ATOM 926 N ARG A 61 25.127 -14.377 7.473 1.00 25.00 N ATOM 927 CA ARG A 61 24.286 -15.276 8.277 1.00 25.00 C ATOM 928 C ARG A 61 22.817 -15.174 7.868 1.00 25.00 C ATOM 929 O ARG A 61 21.935 -15.708 8.552 1.00 25.00 O ATOM 930 CB ARG A 61 24.420 -14.930 9.765 1.00 25.00 C ATOM 931 CG ARG A 61 25.827 -15.096 10.310 1.00 25.00 C ATOM 932 CD ARG A 61 25.858 -14.834 11.802 1.00 25.00 C ATOM 933 NE ARG A 61 27.209 -15.023 12.356 1.00 25.00 N ATOM 934 CZ ARG A 61 27.529 -14.980 13.643 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.642 -14.791 14.587 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.776 -15.146 13.979 1.00 25.00 N ATOM 0 H ARG A 61 24.939 -13.386 7.623 1.00 25.00 H new ATOM 0 HA ARG A 61 24.627 -16.296 8.101 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.101 -13.899 9.919 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.742 -15.563 10.338 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.185 -16.105 10.105 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.503 -14.409 9.801 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.521 -13.816 12.001 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.161 -15.504 12.305 1.00 25.00 H new ATOM 0 HE ARG A 61 27.964 -15.202 11.694 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.658 -14.669 14.346 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.934 -14.765 15.564 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.481 -15.305 13.259 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.048 -15.117 14.962 1.00 25.00 H new ATOM 950 N LEU A 62 22.548 -14.490 6.764 1.00 25.00 N ATOM 951 CA LEU A 62 21.175 -14.238 6.330 1.00 25.00 C ATOM 952 C LEU A 62 20.891 -14.731 4.915 1.00 25.00 C ATOM 953 O LEU A 62 21.741 -14.671 4.035 1.00 25.00 O ATOM 954 CB LEU A 62 20.903 -12.735 6.398 1.00 25.00 C ATOM 955 CG LEU A 62 19.461 -12.329 6.719 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.027 -12.749 8.087 1.00 25.00 C ATOM 957 CD2 LEU A 62 19.312 -10.830 6.568 1.00 25.00 C ATOM 0 H LEU A 62 23.262 -14.098 6.150 1.00 25.00 H new ATOM 0 HA LEU A 62 20.519 -14.794 6.999 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.559 -12.301 7.153 1.00 25.00 H new ATOM 0 HB3 LEU A 62 21.180 -12.292 5.442 1.00 25.00 H new ATOM 0 HG LEU A 62 18.815 -12.848 6.011 1.00 25.00 H new ATOM 0 HD11 LEU A 62 17.997 -12.433 8.255 1.00 25.00 H new ATOM 0 HD12 LEU A 62 19.092 -13.834 8.172 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.675 -12.287 8.832 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.286 -10.542 6.796 1.00 25.00 H new ATOM 0 HD22 LEU A 62 19.992 -10.326 7.255 1.00 25.00 H new ATOM 0 HD23 LEU A 62 19.550 -10.542 5.544 1.00 25.00 H new ATOM 969 N LYS A 63 19.673 -15.208 4.695 1.00 25.00 N ATOM 970 CA LYS A 63 19.250 -15.666 3.369 1.00 25.00 C ATOM 971 C LYS A 63 18.042 -14.892 2.922 1.00 25.00 C ATOM 972 O LYS A 63 16.990 -14.967 3.536 1.00 25.00 O ATOM 973 CB LYS A 63 18.894 -17.162 3.387 1.00 25.00 C ATOM 974 CG LYS A 63 18.372 -17.687 2.039 1.00 25.00 C ATOM 975 CD LYS A 63 18.143 -19.199 2.027 1.00 25.00 C ATOM 976 CE LYS A 63 16.969 -19.618 2.899 1.00 25.00 C ATOM 977 NZ LYS A 63 16.687 -21.088 2.749 1.00 25.00 N ATOM 0 H LYS A 63 18.956 -15.290 5.416 1.00 25.00 H new ATOM 0 HA LYS A 63 20.080 -15.505 2.681 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.777 -17.734 3.673 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.139 -17.338 4.153 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.436 -17.183 1.798 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.084 -17.428 1.256 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.966 -19.528 1.003 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.046 -19.703 2.372 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.186 -19.390 3.942 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.084 -19.044 2.625 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 15.882 -21.351 3.353 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 16.458 -21.298 1.757 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 17.526 -21.633 3.033 1.00 25.00 H new ATOM 991 N ILE A 64 18.191 -14.204 1.807 1.00 25.00 N ATOM 992 CA ILE A 64 17.094 -13.475 1.201 1.00 25.00 C ATOM 993 C ILE A 64 16.080 -14.491 0.685 1.00 25.00 C ATOM 994 O ILE A 64 16.439 -15.421 -0.042 1.00 25.00 O ATOM 995 CB ILE A 64 17.613 -12.603 0.023 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.715 -11.637 0.504 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.482 -11.812 -0.603 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.291 -10.634 1.604 1.00 25.00 C ATOM 0 H ILE A 64 19.072 -14.135 1.297 1.00 25.00 H new ATOM 0 HA ILE A 64 16.632 -12.816 1.936 1.00 25.00 H new ATOM 0 HB ILE A 64 18.031 -13.274 -0.727 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.552 -12.226 0.878 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.080 -11.074 -0.355 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.870 -11.210 -1.425 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.725 -12.498 -0.982 1.00 25.00 H new ATOM 0 HG23 ILE A 64 16.037 -11.158 0.147 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.140 -10.004 1.868 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.477 -10.010 1.234 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.957 -11.181 2.486 1.00 25.00 H new ATOM 1010 N LEU A 65 14.828 -14.323 1.072 1.00 25.00 N ATOM 1011 CA LEU A 65 13.756 -15.188 0.614 1.00 25.00 C ATOM 1012 C LEU A 65 13.145 -14.501 -0.598 1.00 25.00 C ATOM 1013 O LEU A 65 12.377 -13.553 -0.458 1.00 25.00 O ATOM 1014 CB LEU A 65 12.708 -15.372 1.720 1.00 25.00 C ATOM 1015 CG LEU A 65 13.252 -15.937 3.043 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.124 -16.004 4.055 1.00 25.00 C ATOM 1017 CD2 LEU A 65 13.883 -17.321 2.859 1.00 25.00 C ATOM 0 H LEU A 65 14.527 -13.586 1.710 1.00 25.00 H new ATOM 0 HA LEU A 65 14.126 -16.181 0.358 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.239 -14.408 1.919 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.926 -16.037 1.352 1.00 25.00 H new ATOM 0 HG LEU A 65 14.038 -15.272 3.402 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.502 -16.404 4.996 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.724 -15.004 4.221 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.334 -16.653 3.677 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.254 -17.682 3.818 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.134 -18.014 2.475 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.710 -17.253 2.152 1.00 25.00 H new ATOM 1327 N PRO A 89 29.229 -18.730 10.788 1.00 25.00 N ATOM 1328 CA PRO A 89 30.442 -18.116 10.236 1.00 25.00 C ATOM 1329 C PRO A 89 30.656 -16.693 10.775 1.00 25.00 C ATOM 1330 O PRO A 89 29.746 -16.096 11.375 1.00 25.00 O ATOM 1331 CB PRO A 89 30.158 -18.112 8.731 1.00 25.00 C ATOM 1332 CG PRO A 89 28.694 -17.951 8.643 1.00 25.00 C ATOM 1333 CD PRO A 89 28.156 -18.791 9.775 1.00 25.00 C ATOM 0 HA PRO A 89 31.354 -18.649 10.503 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.680 -17.297 8.229 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.486 -19.039 8.261 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.402 -16.906 8.750 1.00 25.00 H new ATOM 0 HG3 PRO A 89 28.314 -18.292 7.680 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.217 -18.393 10.160 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.961 -19.815 9.458 1.00 25.00 H new ATOM 1341 N PRO A 90 31.859 -16.128 10.577 1.00 25.00 N ATOM 1342 CA PRO A 90 32.078 -14.791 11.146 1.00 25.00 C ATOM 1343 C PRO A 90 31.278 -13.690 10.449 1.00 25.00 C ATOM 1344 O PRO A 90 30.868 -13.823 9.293 1.00 25.00 O ATOM 1345 CB PRO A 90 33.588 -14.586 10.960 1.00 25.00 C ATOM 1346 CG PRO A 90 33.920 -15.383 9.755 1.00 25.00 C ATOM 1347 CD PRO A 90 33.063 -16.619 9.874 1.00 25.00 C ATOM 0 HA PRO A 90 31.744 -14.731 12.182 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.832 -13.533 10.820 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.146 -14.930 11.831 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.698 -14.832 8.841 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.980 -15.636 9.726 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.817 -17.034 8.897 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.566 -17.405 10.437 1.00 25.00 H new ATOM 1355 N LYS A 91 31.058 -12.596 11.169 1.00 25.00 N ATOM 1356 CA LYS A 91 30.390 -11.423 10.619 1.00 25.00 C ATOM 1357 C LYS A 91 31.472 -10.600 9.918 1.00 25.00 C ATOM 1358 O LYS A 91 32.649 -10.717 10.270 1.00 25.00 O ATOM 1359 CB LYS A 91 29.715 -10.606 11.743 1.00 25.00 C ATOM 1360 CG LYS A 91 30.639 -10.238 12.926 1.00 25.00 C ATOM 1361 CD LYS A 91 29.962 -9.298 13.949 1.00 25.00 C ATOM 1362 CE LYS A 91 28.733 -9.937 14.620 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.194 -9.076 15.722 1.00 25.00 N ATOM 0 H LYS A 91 31.336 -12.497 12.145 1.00 25.00 H new ATOM 0 HA LYS A 91 29.603 -11.706 9.920 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.315 -9.687 11.314 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.867 -11.174 12.126 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.954 -11.151 13.432 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.540 -9.760 12.542 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.686 -9.020 14.715 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.660 -8.379 13.447 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.956 -10.102 13.874 1.00 25.00 H new ATOM 0 HE3 LYS A 91 29.004 -10.914 15.020 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.154 -9.105 15.708 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.538 -9.428 16.638 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 28.515 -8.096 15.585 1.00 25.00 H new ATOM 1377 N PRO A 92 31.093 -9.779 8.923 1.00 25.00 N ATOM 1378 CA PRO A 92 32.117 -8.921 8.321 1.00 25.00 C ATOM 1379 C PRO A 92 32.575 -7.863 9.328 1.00 25.00 C ATOM 1380 O PRO A 92 31.903 -7.633 10.337 1.00 25.00 O ATOM 1381 CB PRO A 92 31.390 -8.311 7.113 1.00 25.00 C ATOM 1382 CG PRO A 92 29.973 -8.323 7.482 1.00 25.00 C ATOM 1383 CD PRO A 92 29.761 -9.535 8.338 1.00 25.00 C ATOM 0 HA PRO A 92 33.026 -9.445 8.027 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.738 -7.298 6.913 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.568 -8.893 6.209 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.706 -7.415 8.024 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.342 -8.361 6.594 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.011 -9.356 9.108 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.418 -10.387 7.750 1.00 25.00 H new