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=-0.00213 X(o=-0.0021,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= 1.61 K(o=1.6,f=-3.9!) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0742 USER MOD Single : A 25 SER OG : rot 27:sc= 0.0873 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl -131:sc= -0.35 (180deg=-1.09) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 69:sc= 1.3 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot 59:sc= 0.0594 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00533 X(o=-0.0053,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.0411 X(o=-0.041,f=0) USER MOD Single : A 60 ASN : amide:sc= 0.472 X(o=0.47,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= 1.09 (180deg=0.858) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 13.591 2.042 0.071 1.00 25.00 N ATOM 60 CA TYR A 5 14.049 0.701 0.450 1.00 25.00 C ATOM 61 C TYR A 5 13.533 -0.481 -0.394 1.00 25.00 C ATOM 62 O TYR A 5 12.647 -0.351 -1.232 1.00 25.00 O ATOM 63 CB TYR A 5 13.748 0.471 1.932 1.00 25.00 C ATOM 64 CG TYR A 5 14.553 1.364 2.849 1.00 25.00 C ATOM 65 CD1 TYR A 5 13.921 2.102 3.869 1.00 25.00 C ATOM 66 CD2 TYR A 5 15.956 1.470 2.717 1.00 25.00 C ATOM 67 CE1 TYR A 5 14.683 2.926 4.750 1.00 25.00 C ATOM 68 CE2 TYR A 5 16.710 2.287 3.589 1.00 25.00 C ATOM 69 CZ TYR A 5 16.071 3.009 4.593 1.00 25.00 C ATOM 70 OH TYR A 5 16.807 3.806 5.434 1.00 25.00 O ATOM 0 HA TYR A 5 15.119 0.705 0.243 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.686 0.640 2.111 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.951 -0.571 2.180 1.00 25.00 H new ATOM 0 HD1 TYR A 5 12.849 2.043 3.985 1.00 25.00 H new ATOM 0 HD2 TYR A 5 16.460 0.918 1.937 1.00 25.00 H new ATOM 0 HE1 TYR A 5 14.191 3.483 5.534 1.00 25.00 H new ATOM 0 HE2 TYR A 5 17.782 2.351 3.477 1.00 25.00 H new ATOM 0 HH TYR A 5 17.755 3.751 5.191 1.00 25.00 H new ATOM 80 N LEU A 6 14.167 -1.630 -0.187 1.00 25.00 N ATOM 81 CA LEU A 6 13.865 -2.867 -0.909 1.00 25.00 C ATOM 82 C LEU A 6 12.644 -3.567 -0.311 1.00 25.00 C ATOM 83 O LEU A 6 11.805 -4.087 -1.034 1.00 25.00 O ATOM 84 CB LEU A 6 15.062 -3.825 -0.820 1.00 25.00 C ATOM 85 CG LEU A 6 16.435 -3.345 -1.312 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.486 -4.410 -0.964 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.449 -3.077 -2.811 1.00 25.00 C ATOM 0 H LEU A 6 14.917 -1.733 0.497 1.00 25.00 H new ATOM 0 HA LEU A 6 13.659 -2.606 -1.947 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.171 -4.120 0.224 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.807 -4.724 -1.381 1.00 25.00 H new ATOM 0 HG LEU A 6 16.663 -2.402 -0.815 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.466 -4.080 -1.309 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.512 -4.557 0.116 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.227 -5.350 -1.452 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.441 -2.740 -3.111 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.200 -3.993 -3.347 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.716 -2.306 -3.050 1.00 25.00 H new ATOM 99 N ASN A 7 12.575 -3.569 1.018 1.00 25.00 N ATOM 100 CA ASN A 7 11.454 -4.143 1.784 1.00 25.00 C ATOM 101 C ASN A 7 11.169 -5.617 1.451 1.00 25.00 C ATOM 102 O ASN A 7 10.034 -5.992 1.156 1.00 25.00 O ATOM 103 CB ASN A 7 10.201 -3.285 1.578 1.00 25.00 C ATOM 104 CG ASN A 7 10.451 -1.835 1.873 1.00 25.00 C ATOM 105 OD1 ASN A 7 10.824 -1.471 2.974 1.00 25.00 O ATOM 106 ND2 ASN A 7 10.286 -1.004 0.884 1.00 25.00 N ATOM 0 H ASN A 7 13.303 -3.168 1.609 1.00 25.00 H new ATOM 0 HA ASN A 7 11.746 -4.132 2.834 1.00 25.00 H new ATOM 0 HB2 ASN A 7 9.856 -3.390 0.549 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.402 -3.652 2.222 1.00 25.00 H new ATOM 0 HD21 ASN A 7 10.471 -0.010 1.017 1.00 25.00 H new ATOM 0 HD22 ASN A 7 9.972 -1.347 -0.024 1.00 25.00 H new ATOM 113 N VAL A 8 12.198 -6.455 1.513 1.00 25.00 N ATOM 114 CA VAL A 8 12.074 -7.880 1.175 1.00 25.00 C ATOM 115 C VAL A 8 12.242 -8.698 2.451 1.00 25.00 C ATOM 116 O VAL A 8 12.793 -8.210 3.414 1.00 25.00 O ATOM 117 CB VAL A 8 13.133 -8.311 0.089 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.643 -7.096 -0.676 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.332 -9.034 0.696 1.00 25.00 C ATOM 0 H VAL A 8 13.137 -6.175 1.796 1.00 25.00 H new ATOM 0 HA VAL A 8 11.089 -8.062 0.745 1.00 25.00 H new ATOM 0 HB VAL A 8 12.617 -8.997 -0.583 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.373 -7.415 -1.420 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.808 -6.603 -1.174 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.114 -6.400 0.018 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.030 -9.308 -0.095 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.831 -8.377 1.408 1.00 25.00 H new ATOM 0 HG23 VAL A 8 13.993 -9.934 1.209 1.00 25.00 H new ATOM 129 N LEU A 9 11.783 -9.936 2.473 1.00 25.00 N ATOM 130 CA LEU A 9 11.940 -10.775 3.668 1.00 25.00 C ATOM 131 C LEU A 9 13.198 -11.642 3.574 1.00 25.00 C ATOM 132 O LEU A 9 13.544 -12.139 2.500 1.00 25.00 O ATOM 133 CB LEU A 9 10.712 -11.672 3.863 1.00 25.00 C ATOM 134 CG LEU A 9 9.362 -10.949 4.061 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.246 -11.997 4.183 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.367 -10.050 5.296 1.00 25.00 C ATOM 0 H LEU A 9 11.304 -10.387 1.694 1.00 25.00 H new ATOM 0 HA LEU A 9 12.039 -10.110 4.526 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.626 -12.327 2.996 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.889 -12.310 4.729 1.00 25.00 H new ATOM 0 HG LEU A 9 9.190 -10.309 3.196 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.289 -11.495 4.323 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.211 -12.598 3.275 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.445 -12.643 5.038 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.397 -9.562 5.395 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.563 -10.652 6.183 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.145 -9.293 5.192 1.00 25.00 H new ATOM 148 N ALA A 10 13.863 -11.850 4.700 1.00 25.00 N ATOM 149 CA ALA A 10 15.046 -12.711 4.759 1.00 25.00 C ATOM 150 C ALA A 10 15.020 -13.574 6.031 1.00 25.00 C ATOM 151 O ALA A 10 14.556 -13.121 7.067 1.00 25.00 O ATOM 152 CB ALA A 10 16.303 -11.860 4.720 1.00 25.00 C ATOM 0 H ALA A 10 13.605 -11.433 5.594 1.00 25.00 H new ATOM 0 HA ALA A 10 15.043 -13.377 3.896 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.181 -12.505 4.764 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.323 -11.283 3.796 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.309 -11.180 5.572 1.00 25.00 H new ATOM 158 N LYS A 11 15.540 -14.797 5.941 1.00 25.00 N ATOM 159 CA LYS A 11 15.604 -15.719 7.089 1.00 25.00 C ATOM 160 C LYS A 11 17.024 -15.855 7.629 1.00 25.00 C ATOM 161 O LYS A 11 17.976 -15.989 6.854 1.00 25.00 O ATOM 162 CB LYS A 11 15.102 -17.109 6.685 1.00 25.00 C ATOM 163 CG LYS A 11 15.236 -18.163 7.797 1.00 25.00 C ATOM 164 CD LYS A 11 14.415 -19.425 7.557 1.00 25.00 C ATOM 165 CE LYS A 11 12.937 -19.182 7.865 1.00 25.00 C ATOM 166 NZ LYS A 11 12.127 -20.446 7.896 1.00 25.00 N ATOM 0 H LYS A 11 15.928 -15.181 5.079 1.00 25.00 H new ATOM 0 HA LYS A 11 14.970 -15.299 7.869 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.055 -17.036 6.390 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.657 -17.445 5.809 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.286 -18.438 7.898 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.931 -17.718 8.744 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.527 -19.745 6.521 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.793 -20.234 8.183 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.851 -18.678 8.828 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.521 -18.509 7.115 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.135 -20.218 8.109 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.183 -20.917 6.970 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.502 -21.080 8.630 1.00 25.00 H new ATOM 180 N ALA A 12 17.149 -15.887 8.949 1.00 25.00 N ATOM 181 CA ALA A 12 18.429 -16.103 9.610 1.00 25.00 C ATOM 182 C ALA A 12 18.822 -17.578 9.480 1.00 25.00 C ATOM 183 O ALA A 12 18.036 -18.451 9.824 1.00 25.00 O ATOM 184 CB ALA A 12 18.286 -15.712 11.096 1.00 25.00 C ATOM 0 H ALA A 12 16.366 -15.764 9.591 1.00 25.00 H new ATOM 0 HA ALA A 12 19.206 -15.493 9.149 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.236 -15.868 11.606 1.00 25.00 H new ATOM 0 HB2 ALA A 12 18.002 -14.662 11.170 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.518 -16.329 11.562 1.00 25.00 H new ATOM 190 N LEU A 13 20.032 -17.865 9.020 1.00 25.00 N ATOM 191 CA LEU A 13 20.521 -19.251 8.973 1.00 25.00 C ATOM 192 C LEU A 13 21.223 -19.580 10.260 1.00 25.00 C ATOM 193 O LEU A 13 21.479 -20.737 10.555 1.00 25.00 O ATOM 194 CB LEU A 13 21.548 -19.450 7.855 1.00 25.00 C ATOM 195 CG LEU A 13 21.185 -19.276 6.381 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.742 -19.661 6.048 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.471 -17.860 5.943 1.00 25.00 C ATOM 0 H LEU A 13 20.694 -17.169 8.675 1.00 25.00 H new ATOM 0 HA LEU A 13 19.654 -19.890 8.803 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.371 -18.765 8.059 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.940 -20.461 7.965 1.00 25.00 H new ATOM 0 HG LEU A 13 21.813 -19.973 5.825 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.561 -19.510 4.984 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.578 -20.709 6.299 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.057 -19.039 6.624 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.209 -17.745 4.891 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.880 -17.167 6.542 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.531 -17.644 6.079 1.00 25.00 H new ATOM 209 N TYR A 14 21.572 -18.541 10.996 1.00 25.00 N ATOM 210 CA TYR A 14 22.320 -18.668 12.231 1.00 25.00 C ATOM 211 C TYR A 14 21.799 -17.630 13.187 1.00 25.00 C ATOM 212 O TYR A 14 21.223 -16.630 12.768 1.00 25.00 O ATOM 213 CB TYR A 14 23.806 -18.416 11.981 1.00 25.00 C ATOM 214 CG TYR A 14 24.398 -19.338 10.944 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.854 -20.626 11.296 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.495 -18.935 9.598 1.00 25.00 C ATOM 217 CE1 TYR A 14 25.395 -21.500 10.318 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.021 -19.808 8.614 1.00 25.00 C ATOM 219 CZ TYR A 14 25.466 -21.086 8.984 1.00 25.00 C ATOM 220 OH TYR A 14 25.975 -21.927 8.027 1.00 25.00 O ATOM 0 H TYR A 14 21.342 -17.578 10.751 1.00 25.00 H new ATOM 0 HA TYR A 14 22.202 -19.673 12.636 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.944 -17.383 11.661 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.351 -18.535 12.917 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.790 -20.951 12.324 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.164 -17.947 9.312 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.750 -22.480 10.602 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.079 -19.491 7.583 1.00 25.00 H new ATOM 0 HH TYR A 14 25.950 -21.482 7.154 1.00 25.00 H new ATOM 230 N ASP A 15 22.024 -17.862 14.465 1.00 25.00 N ATOM 231 CA ASP A 15 21.652 -16.918 15.501 1.00 25.00 C ATOM 232 C ASP A 15 22.610 -15.730 15.409 1.00 25.00 C ATOM 233 O ASP A 15 23.735 -15.873 14.920 1.00 25.00 O ATOM 234 CB ASP A 15 21.783 -17.612 16.855 1.00 25.00 C ATOM 235 CG ASP A 15 21.024 -18.918 16.897 1.00 25.00 C ATOM 236 OD1 ASP A 15 19.824 -18.900 17.244 1.00 25.00 O ATOM 237 OD2 ASP A 15 21.576 -19.941 16.442 1.00 25.00 O ATOM 0 H ASP A 15 22.470 -18.710 14.815 1.00 25.00 H new ATOM 0 HA ASP A 15 20.626 -16.570 15.382 1.00 25.00 H new ATOM 0 HB2 ASP A 15 22.836 -17.798 17.067 1.00 25.00 H new ATOM 0 HB3 ASP A 15 21.412 -16.951 17.639 1.00 25.00 H new ATOM 242 N ASN A 16 22.189 -14.570 15.879 1.00 25.00 N ATOM 243 CA ASN A 16 23.058 -13.399 15.867 1.00 25.00 C ATOM 244 C ASN A 16 22.942 -12.616 17.153 1.00 25.00 C ATOM 245 O ASN A 16 21.852 -12.243 17.564 1.00 25.00 O ATOM 246 CB ASN A 16 22.715 -12.468 14.709 1.00 25.00 C ATOM 247 CG ASN A 16 23.826 -11.500 14.419 1.00 25.00 C ATOM 248 OD1 ASN A 16 24.942 -11.916 14.118 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.561 -10.232 14.537 1.00 25.00 N ATOM 0 H ASN A 16 21.261 -14.410 16.271 1.00 25.00 H new ATOM 0 HA ASN A 16 24.077 -13.769 15.753 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.507 -13.059 13.817 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.805 -11.916 14.945 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.294 -9.541 14.378 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.620 -9.929 14.789 1.00 25.00 H new ATOM 256 N VAL A 17 24.080 -12.331 17.758 1.00 25.00 N ATOM 257 CA VAL A 17 24.140 -11.512 18.948 1.00 25.00 C ATOM 258 C VAL A 17 24.704 -10.194 18.464 1.00 25.00 C ATOM 259 O VAL A 17 25.739 -10.159 17.791 1.00 25.00 O ATOM 260 CB VAL A 17 25.044 -12.152 20.038 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.126 -11.250 21.276 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.490 -13.537 20.435 1.00 25.00 C ATOM 0 H VAL A 17 24.989 -12.663 17.435 1.00 25.00 H new ATOM 0 HA VAL A 17 23.164 -11.397 19.420 1.00 25.00 H new ATOM 0 HB VAL A 17 26.047 -12.268 19.628 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.764 -11.718 22.026 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.545 -10.284 20.995 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.127 -11.106 21.688 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.129 -13.979 21.199 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.479 -13.426 20.827 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.470 -14.186 19.559 1.00 25.00 H new ATOM 272 N ALA A 18 23.979 -9.130 18.749 1.00 25.00 N ATOM 273 CA ALA A 18 24.384 -7.800 18.350 1.00 25.00 C ATOM 274 C ALA A 18 25.579 -7.370 19.197 1.00 25.00 C ATOM 275 O ALA A 18 25.534 -7.442 20.425 1.00 25.00 O ATOM 276 CB ALA A 18 23.223 -6.836 18.530 1.00 25.00 C ATOM 0 H ALA A 18 23.097 -9.164 19.261 1.00 25.00 H new ATOM 0 HA ALA A 18 24.673 -7.796 17.299 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.531 -5.835 18.229 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.384 -7.158 17.914 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.920 -6.823 19.577 1.00 25.00 H new ATOM 282 N GLU A 19 26.640 -6.942 18.533 1.00 25.00 N ATOM 283 CA GLU A 19 27.858 -6.483 19.203 1.00 25.00 C ATOM 284 C GLU A 19 28.020 -4.987 18.965 1.00 25.00 C ATOM 285 O GLU A 19 28.692 -4.288 19.717 1.00 25.00 O ATOM 286 CB GLU A 19 29.063 -7.258 18.665 1.00 25.00 C ATOM 287 CG GLU A 19 29.000 -8.736 19.029 1.00 25.00 C ATOM 288 CD GLU A 19 30.186 -9.531 18.505 1.00 25.00 C ATOM 289 OE1 GLU A 19 30.309 -9.654 17.266 1.00 25.00 O ATOM 290 OE2 GLU A 19 30.947 -10.101 19.318 1.00 25.00 O ATOM 0 H GLU A 19 26.687 -6.901 17.515 1.00 25.00 H new ATOM 0 HA GLU A 19 27.789 -6.663 20.276 1.00 25.00 H new ATOM 0 HB2 GLU A 19 29.107 -7.153 17.581 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.980 -6.825 19.064 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.954 -8.835 20.114 1.00 25.00 H new ATOM 0 HG3 GLU A 19 28.080 -9.163 18.631 1.00 25.00 H new ATOM 297 N SER A 20 27.336 -4.503 17.942 1.00 25.00 N ATOM 298 CA SER A 20 27.286 -3.077 17.630 1.00 25.00 C ATOM 299 C SER A 20 25.941 -2.558 18.109 1.00 25.00 C ATOM 300 O SER A 20 24.936 -3.270 18.044 1.00 25.00 O ATOM 301 CB SER A 20 27.422 -2.870 16.118 1.00 25.00 C ATOM 302 OG SER A 20 27.094 -1.544 15.744 1.00 25.00 O ATOM 0 H SER A 20 26.797 -5.085 17.301 1.00 25.00 H new ATOM 0 HA SER A 20 28.101 -2.543 18.119 1.00 25.00 H new ATOM 0 HB2 SER A 20 28.443 -3.094 15.809 1.00 25.00 H new ATOM 0 HB3 SER A 20 26.770 -3.569 15.594 1.00 25.00 H new ATOM 0 HG SER A 20 27.192 -1.444 14.774 1.00 25.00 H new ATOM 308 N PRO A 21 25.884 -1.297 18.565 1.00 25.00 N ATOM 309 CA PRO A 21 24.591 -0.750 18.983 1.00 25.00 C ATOM 310 C PRO A 21 23.621 -0.546 17.817 1.00 25.00 C ATOM 311 O PRO A 21 22.423 -0.361 18.032 1.00 25.00 O ATOM 312 CB PRO A 21 24.981 0.586 19.619 1.00 25.00 C ATOM 313 CG PRO A 21 26.228 0.976 18.892 1.00 25.00 C ATOM 314 CD PRO A 21 26.967 -0.304 18.725 1.00 25.00 C ATOM 0 HA PRO A 21 24.056 -1.422 19.654 1.00 25.00 H new ATOM 0 HB2 PRO A 21 24.196 1.332 19.496 1.00 25.00 H new ATOM 0 HB3 PRO A 21 25.158 0.483 20.690 1.00 25.00 H new ATOM 0 HG2 PRO A 21 26.001 1.434 17.929 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.810 1.701 19.460 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.624 -0.280 17.855 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.592 -0.525 19.590 1.00 25.00 H new ATOM 322 N ASP A 22 24.120 -0.616 16.590 1.00 25.00 N ATOM 323 CA ASP A 22 23.276 -0.456 15.418 1.00 25.00 C ATOM 324 C ASP A 22 22.870 -1.807 14.854 1.00 25.00 C ATOM 325 O ASP A 22 22.182 -1.877 13.859 1.00 25.00 O ATOM 326 CB ASP A 22 24.022 0.332 14.337 1.00 25.00 C ATOM 327 CG ASP A 22 23.246 1.560 13.873 1.00 25.00 C ATOM 328 OD1 ASP A 22 23.255 1.840 12.656 1.00 25.00 O ATOM 329 OD2 ASP A 22 22.584 2.211 14.716 1.00 25.00 O ATOM 0 H ASP A 22 25.105 -0.783 16.383 1.00 25.00 H new ATOM 0 HA ASP A 22 22.380 0.086 15.721 1.00 25.00 H new ATOM 0 HB2 ASP A 22 24.993 0.643 14.723 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.212 -0.318 13.483 1.00 25.00 H new ATOM 334 N GLU A 23 23.335 -2.884 15.471 1.00 25.00 N ATOM 335 CA GLU A 23 23.095 -4.235 14.958 1.00 25.00 C ATOM 336 C GLU A 23 21.860 -4.879 15.594 1.00 25.00 C ATOM 337 O GLU A 23 21.534 -4.630 16.757 1.00 25.00 O ATOM 338 CB GLU A 23 24.344 -5.092 15.212 1.00 25.00 C ATOM 339 CG GLU A 23 24.317 -6.474 14.572 1.00 25.00 C ATOM 340 CD GLU A 23 25.591 -7.264 14.829 1.00 25.00 C ATOM 341 OE1 GLU A 23 26.419 -6.855 15.679 1.00 25.00 O ATOM 342 OE2 GLU A 23 25.751 -8.339 14.206 1.00 25.00 O ATOM 0 H GLU A 23 23.883 -2.853 16.331 1.00 25.00 H new ATOM 0 HA GLU A 23 22.899 -4.170 13.888 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.217 -4.554 14.842 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.474 -5.209 16.288 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.464 -7.032 14.958 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.170 -6.369 13.497 1.00 25.00 H new ATOM 349 N LEU A 24 21.178 -5.723 14.834 1.00 25.00 N ATOM 350 CA LEU A 24 20.027 -6.462 15.352 1.00 25.00 C ATOM 351 C LEU A 24 20.430 -7.800 15.944 1.00 25.00 C ATOM 352 O LEU A 24 21.299 -8.495 15.430 1.00 25.00 O ATOM 353 CB LEU A 24 18.998 -6.718 14.248 1.00 25.00 C ATOM 354 CG LEU A 24 18.267 -5.479 13.723 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.337 -5.868 12.589 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.482 -4.801 14.845 1.00 25.00 C ATOM 0 H LEU A 24 21.398 -5.916 13.857 1.00 25.00 H new ATOM 0 HA LEU A 24 19.592 -5.841 16.135 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.502 -7.202 13.411 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.256 -7.423 14.624 1.00 25.00 H new ATOM 0 HG LEU A 24 19.006 -4.771 13.348 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.821 -4.981 12.221 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.916 -6.313 11.780 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.605 -6.590 12.950 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.970 -3.923 14.452 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.748 -5.499 15.249 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.167 -4.497 15.636 1.00 25.00 H new ATOM 368 N SER A 25 19.731 -8.178 17.000 1.00 25.00 N ATOM 369 CA SER A 25 19.943 -9.457 17.659 1.00 25.00 C ATOM 370 C SER A 25 18.731 -10.324 17.358 1.00 25.00 C ATOM 371 O SER A 25 17.590 -9.895 17.538 1.00 25.00 O ATOM 372 CB SER A 25 20.097 -9.254 19.165 1.00 25.00 C ATOM 373 OG SER A 25 20.385 -10.480 19.817 1.00 25.00 O ATOM 0 H SER A 25 19.000 -7.608 17.426 1.00 25.00 H new ATOM 0 HA SER A 25 20.853 -9.935 17.297 1.00 25.00 H new ATOM 0 HB2 SER A 25 20.896 -8.538 19.359 1.00 25.00 H new ATOM 0 HB3 SER A 25 19.181 -8.827 19.573 1.00 25.00 H new ATOM 0 HG SER A 25 20.837 -11.084 19.192 1.00 25.00 H new ATOM 379 N PHE A 26 18.985 -11.519 16.860 1.00 25.00 N ATOM 380 CA PHE A 26 17.928 -12.464 16.484 1.00 25.00 C ATOM 381 C PHE A 26 18.457 -13.882 16.603 1.00 25.00 C ATOM 382 O PHE A 26 19.633 -14.093 16.854 1.00 25.00 O ATOM 383 CB PHE A 26 17.443 -12.206 15.054 1.00 25.00 C ATOM 384 CG PHE A 26 18.539 -12.137 14.043 1.00 25.00 C ATOM 385 CD1 PHE A 26 18.977 -10.893 13.566 1.00 25.00 C ATOM 386 CD2 PHE A 26 19.125 -13.315 13.531 1.00 25.00 C ATOM 387 CE1 PHE A 26 19.969 -10.816 12.589 1.00 25.00 C ATOM 388 CE2 PHE A 26 20.129 -13.247 12.545 1.00 25.00 C ATOM 389 CZ PHE A 26 20.548 -12.003 12.067 1.00 25.00 C ATOM 0 H PHE A 26 19.929 -11.871 16.701 1.00 25.00 H new ATOM 0 HA PHE A 26 17.082 -12.327 17.157 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.749 -12.997 14.769 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.885 -11.270 15.034 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.542 -9.986 13.959 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.801 -14.277 13.899 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.297 -9.852 12.229 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.573 -14.153 12.160 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.309 -11.944 11.303 1.00 25.00 H new ATOM 399 N ARG A 27 17.586 -14.854 16.400 1.00 25.00 N ATOM 400 CA ARG A 27 17.971 -16.269 16.490 1.00 25.00 C ATOM 401 C ARG A 27 17.835 -16.940 15.122 1.00 25.00 C ATOM 402 O ARG A 27 17.278 -16.363 14.191 1.00 25.00 O ATOM 403 CB ARG A 27 17.158 -16.975 17.612 1.00 25.00 C ATOM 404 CG ARG A 27 15.762 -17.519 17.256 1.00 25.00 C ATOM 405 CD ARG A 27 14.950 -16.504 16.497 1.00 25.00 C ATOM 406 NE ARG A 27 13.498 -16.686 16.594 1.00 25.00 N ATOM 407 CZ ARG A 27 12.784 -17.603 15.952 1.00 25.00 C ATOM 408 NH1 ARG A 27 13.319 -18.516 15.181 1.00 25.00 N ATOM 409 NH2 ARG A 27 11.488 -17.600 16.104 1.00 25.00 N ATOM 0 H ARG A 27 16.604 -14.699 16.171 1.00 25.00 H new ATOM 0 HA ARG A 27 19.021 -16.354 16.771 1.00 25.00 H new ATOM 0 HB2 ARG A 27 17.756 -17.806 17.986 1.00 25.00 H new ATOM 0 HB3 ARG A 27 17.042 -16.270 18.435 1.00 25.00 H new ATOM 0 HG2 ARG A 27 15.865 -18.424 16.658 1.00 25.00 H new ATOM 0 HG3 ARG A 27 15.236 -17.798 18.169 1.00 25.00 H new ATOM 0 HD2 ARG A 27 15.203 -15.509 16.863 1.00 25.00 H new ATOM 0 HD3 ARG A 27 15.238 -16.540 15.446 1.00 25.00 H new ATOM 0 HE ARG A 27 12.991 -16.051 17.210 1.00 25.00 H new ATOM 0 HH11 ARG A 27 14.330 -18.545 15.051 1.00 25.00 H new ATOM 0 HH12 ARG A 27 12.724 -19.198 14.710 1.00 25.00 H new ATOM 0 HH21 ARG A 27 11.047 -16.904 16.705 1.00 25.00 H new ATOM 0 HH22 ARG A 27 10.916 -18.294 15.622 1.00 25.00 H new ATOM 423 N LYS A 28 18.339 -18.147 14.996 1.00 25.00 N ATOM 424 CA LYS A 28 18.268 -18.905 13.752 1.00 25.00 C ATOM 425 C LYS A 28 16.812 -19.160 13.390 1.00 25.00 C ATOM 426 O LYS A 28 15.991 -19.522 14.235 1.00 25.00 O ATOM 427 CB LYS A 28 19.035 -20.211 13.982 1.00 25.00 C ATOM 428 CG LYS A 28 19.138 -21.180 12.821 1.00 25.00 C ATOM 429 CD LYS A 28 20.261 -22.175 13.161 1.00 25.00 C ATOM 430 CE LYS A 28 20.379 -23.360 12.200 1.00 25.00 C ATOM 431 NZ LYS A 28 21.501 -24.271 12.655 1.00 25.00 N ATOM 0 H LYS A 28 18.813 -18.639 15.753 1.00 25.00 H new ATOM 0 HA LYS A 28 18.712 -18.360 12.919 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.047 -19.955 14.296 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.565 -20.734 14.815 1.00 25.00 H new ATOM 0 HG2 LYS A 28 18.193 -21.702 12.670 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.360 -20.650 11.895 1.00 25.00 H new ATOM 0 HD2 LYS A 28 21.210 -21.640 13.174 1.00 25.00 H new ATOM 0 HD3 LYS A 28 20.097 -22.557 14.169 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.439 -23.911 12.169 1.00 25.00 H new ATOM 0 HE3 LYS A 28 20.573 -23.003 11.188 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.581 -25.076 12.002 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 22.396 -23.742 12.663 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.297 -24.621 13.613 1.00 25.00 H new ATOM 445 N GLY A 29 16.494 -18.936 12.124 1.00 25.00 N ATOM 446 CA GLY A 29 15.150 -19.153 11.627 1.00 25.00 C ATOM 447 C GLY A 29 14.250 -17.936 11.709 1.00 25.00 C ATOM 448 O GLY A 29 13.119 -18.004 11.233 1.00 25.00 O ATOM 0 H GLY A 29 17.154 -18.602 11.422 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.208 -19.478 10.588 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.694 -19.966 12.191 1.00 25.00 H new ATOM 452 N ASP A 30 14.730 -16.840 12.282 1.00 25.00 N ATOM 453 CA ASP A 30 13.918 -15.623 12.393 1.00 25.00 C ATOM 454 C ASP A 30 13.761 -14.969 11.039 1.00 25.00 C ATOM 455 O ASP A 30 14.536 -15.253 10.122 1.00 25.00 O ATOM 456 CB ASP A 30 14.560 -14.613 13.340 1.00 25.00 C ATOM 457 CG ASP A 30 13.563 -13.996 14.282 1.00 25.00 C ATOM 458 OD1 ASP A 30 12.363 -13.957 13.938 1.00 25.00 O ATOM 459 OD2 ASP A 30 13.966 -13.633 15.409 1.00 25.00 O ATOM 0 H ASP A 30 15.668 -16.763 12.675 1.00 25.00 H new ATOM 0 HA ASP A 30 12.945 -15.919 12.785 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.343 -15.106 13.916 1.00 25.00 H new ATOM 0 HB3 ASP A 30 15.040 -13.827 12.757 1.00 25.00 H new ATOM 464 N ILE A 31 12.774 -14.091 10.918 1.00 25.00 N ATOM 465 CA ILE A 31 12.503 -13.386 9.662 1.00 25.00 C ATOM 466 C ILE A 31 12.562 -11.889 9.899 1.00 25.00 C ATOM 467 O ILE A 31 11.870 -11.368 10.761 1.00 25.00 O ATOM 468 CB ILE A 31 11.087 -13.715 9.095 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.925 -15.224 8.845 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.828 -12.926 7.775 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.927 -15.846 7.874 1.00 25.00 C ATOM 0 H ILE A 31 12.140 -13.845 11.679 1.00 25.00 H new ATOM 0 HA ILE A 31 13.257 -13.711 8.945 1.00 25.00 H new ATOM 0 HB ILE A 31 10.353 -13.410 9.840 1.00 25.00 H new ATOM 0 HG12 ILE A 31 11.003 -15.742 9.801 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.919 -15.405 8.466 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.836 -13.169 7.395 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.889 -11.856 7.973 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.578 -13.201 7.033 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.721 -16.912 7.772 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.837 -15.364 6.900 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.938 -15.707 8.256 1.00 25.00 H new ATOM 483 N MET A 32 13.367 -11.203 9.102 1.00 25.00 N ATOM 484 CA MET A 32 13.478 -9.749 9.180 1.00 25.00 C ATOM 485 C MET A 32 13.257 -9.136 7.812 1.00 25.00 C ATOM 486 O MET A 32 13.461 -9.787 6.781 1.00 25.00 O ATOM 487 CB MET A 32 14.846 -9.339 9.727 1.00 25.00 C ATOM 488 CG MET A 32 16.025 -9.916 8.969 1.00 25.00 C ATOM 489 SD MET A 32 17.319 -10.385 10.128 1.00 25.00 S ATOM 490 CE MET A 32 16.597 -11.912 10.866 1.00 25.00 C ATOM 0 H MET A 32 13.958 -11.630 8.389 1.00 25.00 H new ATOM 0 HA MET A 32 12.712 -9.381 9.862 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.918 -8.251 9.712 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.914 -9.649 10.770 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.709 -10.784 8.391 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.407 -9.183 8.259 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.661 -11.856 11.953 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.552 -12.001 10.568 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.150 -12.783 10.514 1.00 25.00 H new ATOM 500 N THR A 33 12.832 -7.886 7.814 1.00 25.00 N ATOM 501 CA THR A 33 12.577 -7.141 6.578 1.00 25.00 C ATOM 502 C THR A 33 13.843 -6.419 6.148 1.00 25.00 C ATOM 503 O THR A 33 14.280 -5.509 6.822 1.00 25.00 O ATOM 504 CB THR A 33 11.470 -6.094 6.784 1.00 25.00 C ATOM 505 OG1 THR A 33 10.265 -6.752 7.184 1.00 25.00 O ATOM 506 CG2 THR A 33 11.189 -5.316 5.511 1.00 25.00 C ATOM 0 H THR A 33 12.652 -7.353 8.665 1.00 25.00 H new ATOM 0 HA THR A 33 12.261 -7.853 5.815 1.00 25.00 H new ATOM 0 HB THR A 33 11.811 -5.398 7.551 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.558 -6.087 7.318 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.401 -4.586 5.697 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.095 -4.799 5.193 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.869 -6.003 4.728 1.00 25.00 H new ATOM 514 N VAL A 34 14.430 -6.824 5.034 1.00 25.00 N ATOM 515 CA VAL A 34 15.638 -6.195 4.508 1.00 25.00 C ATOM 516 C VAL A 34 15.255 -4.906 3.816 1.00 25.00 C ATOM 517 O VAL A 34 14.506 -4.908 2.839 1.00 25.00 O ATOM 518 CB VAL A 34 16.370 -7.095 3.493 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.684 -6.455 3.020 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.641 -8.453 4.110 1.00 25.00 C ATOM 0 H VAL A 34 14.085 -7.598 4.466 1.00 25.00 H new ATOM 0 HA VAL A 34 16.310 -6.015 5.347 1.00 25.00 H new ATOM 0 HB VAL A 34 15.727 -7.215 2.621 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.174 -7.116 2.305 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.472 -5.498 2.543 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.340 -6.296 3.876 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.158 -9.084 3.388 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.263 -8.332 4.997 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.697 -8.921 4.390 1.00 25.00 H new ATOM 530 N LEU A 35 15.765 -3.814 4.338 1.00 25.00 N ATOM 531 CA LEU A 35 15.487 -2.498 3.808 1.00 25.00 C ATOM 532 C LEU A 35 16.528 -2.146 2.766 1.00 25.00 C ATOM 533 O LEU A 35 16.184 -1.721 1.682 1.00 25.00 O ATOM 534 CB LEU A 35 15.508 -1.487 4.945 1.00 25.00 C ATOM 535 CG LEU A 35 14.460 -1.746 6.033 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.701 -0.785 7.155 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.034 -1.601 5.506 1.00 25.00 C ATOM 0 H LEU A 35 16.387 -3.813 5.146 1.00 25.00 H new ATOM 0 HA LEU A 35 14.503 -2.483 3.339 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.498 -1.490 5.401 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.350 -0.490 4.533 1.00 25.00 H new ATOM 0 HG LEU A 35 14.561 -2.774 6.380 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.965 -0.952 7.942 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.703 -0.938 7.557 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.611 0.236 6.785 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.327 -1.794 6.313 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.887 -0.589 5.128 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.869 -2.316 4.700 1.00 25.00 H new ATOM 549 N GLU A 36 17.791 -2.401 3.056 1.00 25.00 N ATOM 550 CA GLU A 36 18.837 -2.230 2.042 1.00 25.00 C ATOM 551 C GLU A 36 20.005 -3.140 2.359 1.00 25.00 C ATOM 552 O GLU A 36 20.013 -3.806 3.386 1.00 25.00 O ATOM 553 CB GLU A 36 19.276 -0.762 1.916 1.00 25.00 C ATOM 554 CG GLU A 36 20.170 -0.236 2.965 1.00 25.00 C ATOM 555 CD GLU A 36 20.403 1.263 2.826 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.105 1.828 1.751 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.860 1.880 3.808 1.00 25.00 O ATOM 0 H GLU A 36 18.122 -2.722 3.966 1.00 25.00 H new ATOM 0 HA GLU A 36 18.429 -2.511 1.071 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.774 -0.639 0.954 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.380 -0.142 1.893 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.740 -0.446 3.945 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.127 -0.756 2.919 1.00 25.00 H new ATOM 564 N ARG A 37 20.984 -3.188 1.470 1.00 25.00 N ATOM 565 CA ARG A 37 22.160 -4.022 1.667 1.00 25.00 C ATOM 566 C ARG A 37 23.350 -3.133 1.474 1.00 25.00 C ATOM 567 O ARG A 37 23.250 -2.160 0.737 1.00 25.00 O ATOM 568 CB ARG A 37 22.218 -5.140 0.641 1.00 25.00 C ATOM 569 CG ARG A 37 20.994 -6.048 0.628 1.00 25.00 C ATOM 570 CD ARG A 37 21.250 -7.255 -0.261 1.00 25.00 C ATOM 571 NE ARG A 37 21.827 -6.842 -1.553 1.00 25.00 N ATOM 572 CZ ARG A 37 22.403 -7.648 -2.432 1.00 25.00 C ATOM 573 NH1 ARG A 37 22.483 -8.944 -2.248 1.00 25.00 N ATOM 574 NH2 ARG A 37 22.916 -7.138 -3.514 1.00 25.00 N ATOM 0 H ARG A 37 20.988 -2.656 0.600 1.00 25.00 H new ATOM 0 HA ARG A 37 22.134 -4.476 2.658 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.340 -4.702 -0.349 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.103 -5.747 0.833 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.763 -6.375 1.642 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.126 -5.497 0.266 1.00 25.00 H new ATOM 0 HD2 ARG A 37 21.928 -7.945 0.241 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.317 -7.792 -0.430 1.00 25.00 H new ATOM 0 HE ARG A 37 21.779 -5.851 -1.790 1.00 25.00 H new ATOM 0 HH11 ARG A 37 22.094 -9.364 -1.404 1.00 25.00 H new ATOM 0 HH12 ARG A 37 22.935 -9.532 -2.949 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.871 -6.132 -3.675 1.00 25.00 H new ATOM 0 HH22 ARG A 37 23.363 -7.745 -4.201 1.00 25.00 H new ATOM 588 N ASP A 38 24.449 -3.474 2.134 1.00 25.00 N ATOM 589 CA ASP A 38 25.708 -2.739 2.039 1.00 25.00 C ATOM 590 C ASP A 38 25.427 -1.295 2.478 1.00 25.00 C ATOM 591 O ASP A 38 25.912 -0.307 1.925 1.00 25.00 O ATOM 592 CB ASP A 38 26.298 -2.912 0.633 1.00 25.00 C ATOM 593 CG ASP A 38 26.310 -4.390 0.204 1.00 25.00 C ATOM 594 OD1 ASP A 38 26.840 -5.232 0.976 1.00 25.00 O ATOM 595 OD2 ASP A 38 25.646 -4.736 -0.806 1.00 25.00 O ATOM 0 H ASP A 38 24.494 -4.279 2.759 1.00 25.00 H new ATOM 0 HA ASP A 38 26.484 -3.120 2.703 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.716 -2.330 -0.081 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.314 -2.518 0.613 1.00 25.00 H new ATOM 600 N THR A 39 24.563 -1.224 3.484 1.00 25.00 N ATOM 601 CA THR A 39 24.048 0.025 4.034 1.00 25.00 C ATOM 602 C THR A 39 25.150 0.835 4.681 1.00 25.00 C ATOM 603 O THR A 39 26.075 0.284 5.245 1.00 25.00 O ATOM 604 CB THR A 39 22.945 -0.270 5.086 1.00 25.00 C ATOM 605 OG1 THR A 39 22.490 0.942 5.687 1.00 25.00 O ATOM 606 CG2 THR A 39 23.408 -1.199 6.158 1.00 25.00 C ATOM 0 H THR A 39 24.192 -2.052 3.951 1.00 25.00 H new ATOM 0 HA THR A 39 23.628 0.603 3.210 1.00 25.00 H new ATOM 0 HB THR A 39 22.129 -0.754 4.549 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.999 1.472 5.024 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.597 -1.370 6.866 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.708 -2.148 5.713 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.258 -0.758 6.679 1.00 25.00 H new ATOM 614 N GLN A 40 25.049 2.155 4.571 1.00 25.00 N ATOM 615 CA GLN A 40 26.043 3.099 5.109 1.00 25.00 C ATOM 616 C GLN A 40 27.464 2.863 4.567 1.00 25.00 C ATOM 617 O GLN A 40 28.429 3.370 5.117 1.00 25.00 O ATOM 618 CB GLN A 40 26.058 3.084 6.651 1.00 25.00 C ATOM 619 CG GLN A 40 24.678 2.980 7.292 1.00 25.00 C ATOM 620 CD GLN A 40 24.659 3.477 8.722 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.829 4.661 8.975 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.422 2.588 9.655 1.00 25.00 N ATOM 0 H GLN A 40 24.268 2.613 4.101 1.00 25.00 H new ATOM 0 HA GLN A 40 25.727 4.083 4.763 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.666 2.245 6.988 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.543 3.993 7.007 1.00 25.00 H new ATOM 0 HG2 GLN A 40 23.964 3.555 6.702 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.348 1.941 7.268 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.286 1.609 9.404 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.374 2.875 10.633 1.00 25.00 H new ATOM 631 N GLY A 41 27.584 2.089 3.492 1.00 25.00 N ATOM 632 CA GLY A 41 28.889 1.760 2.936 1.00 25.00 C ATOM 633 C GLY A 41 29.537 0.608 3.681 1.00 25.00 C ATOM 634 O GLY A 41 30.731 0.356 3.543 1.00 25.00 O ATOM 0 H GLY A 41 26.795 1.680 2.991 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.782 1.499 1.883 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.537 2.635 2.983 1.00 25.00 H new ATOM 638 N LEU A 42 28.754 -0.088 4.490 1.00 25.00 N ATOM 639 CA LEU A 42 29.247 -1.203 5.271 1.00 25.00 C ATOM 640 C LEU A 42 29.057 -2.476 4.457 1.00 25.00 C ATOM 641 O LEU A 42 27.991 -3.088 4.479 1.00 25.00 O ATOM 642 CB LEU A 42 28.471 -1.285 6.582 1.00 25.00 C ATOM 643 CG LEU A 42 28.500 -0.031 7.460 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.437 -0.154 8.531 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.844 0.162 8.096 1.00 25.00 C ATOM 0 H LEU A 42 27.761 0.106 4.621 1.00 25.00 H new ATOM 0 HA LEU A 42 30.304 -1.073 5.504 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.432 -1.519 6.352 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.864 -2.120 7.162 1.00 25.00 H new ATOM 0 HG LEU A 42 28.303 0.838 6.832 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.451 0.735 9.161 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.458 -0.251 8.062 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.636 -1.035 9.142 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.829 1.061 8.712 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.079 -0.701 8.719 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.602 0.266 7.320 1.00 25.00 H new ATOM 657 N ASP A 43 30.076 -2.847 3.706 1.00 25.00 N ATOM 658 CA ASP A 43 30.002 -4.031 2.849 1.00 25.00 C ATOM 659 C ASP A 43 29.610 -5.262 3.654 1.00 25.00 C ATOM 660 O ASP A 43 30.200 -5.567 4.694 1.00 25.00 O ATOM 661 CB ASP A 43 31.345 -4.306 2.172 1.00 25.00 C ATOM 662 CG ASP A 43 31.486 -3.599 0.835 1.00 25.00 C ATOM 663 OD1 ASP A 43 32.044 -2.487 0.801 1.00 25.00 O ATOM 664 OD2 ASP A 43 31.090 -4.195 -0.192 1.00 25.00 O ATOM 0 H ASP A 43 30.967 -2.351 3.667 1.00 25.00 H new ATOM 0 HA ASP A 43 29.245 -3.829 2.092 1.00 25.00 H new ATOM 0 HB2 ASP A 43 32.152 -3.988 2.833 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.459 -5.380 2.024 1.00 25.00 H new ATOM 669 N GLY A 44 28.599 -5.972 3.173 1.00 25.00 N ATOM 670 CA GLY A 44 28.156 -7.185 3.830 1.00 25.00 C ATOM 671 C GLY A 44 27.125 -6.964 4.920 1.00 25.00 C ATOM 672 O GLY A 44 26.474 -7.925 5.336 1.00 25.00 O ATOM 0 H GLY A 44 28.074 -5.727 2.333 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.737 -7.858 3.081 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.022 -7.687 4.262 1.00 25.00 H new ATOM 676 N TRP A 45 26.939 -5.737 5.386 1.00 25.00 N ATOM 677 CA TRP A 45 25.940 -5.446 6.392 1.00 25.00 C ATOM 678 C TRP A 45 24.636 -5.077 5.701 1.00 25.00 C ATOM 679 O TRP A 45 24.615 -4.262 4.794 1.00 25.00 O ATOM 680 CB TRP A 45 26.439 -4.290 7.234 1.00 25.00 C ATOM 681 CG TRP A 45 27.512 -4.725 8.190 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.851 -4.541 8.078 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.327 -5.435 9.424 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.521 -5.058 9.145 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.617 -5.630 10.001 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.202 -5.917 10.108 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.796 -6.287 11.234 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.375 -6.570 11.343 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.667 -6.750 11.895 1.00 25.00 C ATOM 0 H TRP A 45 27.474 -4.925 5.078 1.00 25.00 H new ATOM 0 HA TRP A 45 25.765 -6.312 7.031 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.827 -3.506 6.583 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.607 -3.859 7.791 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.327 -4.045 7.245 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.531 -5.025 9.284 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.214 -5.789 9.692 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.782 -6.426 11.652 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.511 -6.939 11.877 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.775 -7.255 12.844 1.00 25.00 H new ATOM 700 N TRP A 46 23.543 -5.701 6.104 1.00 25.00 N ATOM 701 CA TRP A 46 22.243 -5.454 5.483 1.00 25.00 C ATOM 702 C TRP A 46 21.342 -4.776 6.494 1.00 25.00 C ATOM 703 O TRP A 46 21.167 -5.277 7.595 1.00 25.00 O ATOM 704 CB TRP A 46 21.612 -6.775 5.009 1.00 25.00 C ATOM 705 CG TRP A 46 22.409 -7.495 3.928 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.559 -7.081 3.324 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.111 -8.775 3.326 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.005 -7.980 2.410 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.146 -9.046 2.382 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.078 -9.725 3.492 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.172 -10.228 1.608 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.115 -10.922 2.730 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.159 -11.155 1.791 1.00 25.00 C ATOM 0 H TRP A 46 23.525 -6.385 6.860 1.00 25.00 H new ATOM 0 HA TRP A 46 22.371 -4.811 4.613 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.500 -7.439 5.866 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.610 -6.571 4.631 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.056 -6.148 3.546 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.843 -7.878 1.838 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.273 -9.543 4.188 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 23.961 -10.404 0.892 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.342 -11.664 2.864 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.161 -12.067 1.213 1.00 25.00 H new ATOM 724 N LEU A 47 20.779 -3.635 6.132 1.00 25.00 N ATOM 725 CA LEU A 47 19.865 -2.917 7.011 1.00 25.00 C ATOM 726 C LEU A 47 18.565 -3.672 7.015 1.00 25.00 C ATOM 727 O LEU A 47 17.964 -3.871 5.961 1.00 25.00 O ATOM 728 CB LEU A 47 19.619 -1.503 6.486 1.00 25.00 C ATOM 729 CG LEU A 47 18.629 -0.638 7.282 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.073 -0.448 8.720 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.454 0.712 6.611 1.00 25.00 C ATOM 0 H LEU A 47 20.939 -3.183 5.232 1.00 25.00 H new ATOM 0 HA LEU A 47 20.288 -2.843 8.013 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.575 -0.981 6.450 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.258 -1.578 5.460 1.00 25.00 H new ATOM 0 HG LEU A 47 17.674 -1.163 7.296 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.345 0.169 9.247 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.147 -1.419 9.209 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.046 0.043 8.739 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.750 1.315 7.185 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.416 1.223 6.565 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.070 0.569 5.601 1.00 25.00 H new ATOM 743 N CYS A 48 18.124 -4.101 8.178 1.00 25.00 N ATOM 744 CA CYS A 48 16.877 -4.824 8.289 1.00 25.00 C ATOM 745 C CYS A 48 16.051 -4.306 9.441 1.00 25.00 C ATOM 746 O CYS A 48 16.515 -3.511 10.251 1.00 25.00 O ATOM 747 CB CYS A 48 17.141 -6.329 8.462 1.00 25.00 C ATOM 748 SG CYS A 48 18.326 -7.013 7.273 1.00 25.00 S ATOM 0 H CYS A 48 18.613 -3.961 9.062 1.00 25.00 H new ATOM 0 HA CYS A 48 16.316 -4.668 7.368 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.511 -6.509 9.472 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.197 -6.866 8.368 1.00 25.00 H new ATOM 0 HG CYS A 48 19.463 -6.394 7.389 1.00 25.00 H new ATOM 754 N SER A 49 14.815 -4.768 9.502 1.00 25.00 N ATOM 755 CA SER A 49 13.903 -4.417 10.568 1.00 25.00 C ATOM 756 C SER A 49 13.340 -5.703 11.160 1.00 25.00 C ATOM 757 O SER A 49 12.923 -6.610 10.430 1.00 25.00 O ATOM 758 CB SER A 49 12.814 -3.497 10.012 1.00 25.00 C ATOM 759 OG SER A 49 11.569 -4.156 9.865 1.00 25.00 O ATOM 0 H SER A 49 14.417 -5.401 8.808 1.00 25.00 H new ATOM 0 HA SER A 49 14.408 -3.873 11.366 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.692 -2.641 10.676 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.131 -3.107 9.045 1.00 25.00 H new ATOM 0 HG SER A 49 10.906 -3.528 9.509 1.00 25.00 H new ATOM 765 N LEU A 50 13.407 -5.804 12.479 1.00 25.00 N ATOM 766 CA LEU A 50 12.965 -6.989 13.210 1.00 25.00 C ATOM 767 C LEU A 50 12.387 -6.549 14.548 1.00 25.00 C ATOM 768 O LEU A 50 12.983 -5.715 15.216 1.00 25.00 O ATOM 769 CB LEU A 50 14.160 -7.913 13.468 1.00 25.00 C ATOM 770 CG LEU A 50 13.822 -9.229 14.176 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.909 -10.384 13.238 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.751 -9.431 15.353 1.00 25.00 C ATOM 0 H LEU A 50 13.771 -5.064 13.079 1.00 25.00 H new ATOM 0 HA LEU A 50 12.214 -7.520 12.626 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.634 -8.143 12.514 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.894 -7.374 14.067 1.00 25.00 H new ATOM 0 HG LEU A 50 12.795 -9.172 14.537 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.664 -11.304 13.769 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.206 -10.240 12.418 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.921 -10.454 12.840 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.506 -10.368 15.853 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.782 -9.466 15.001 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.635 -8.605 16.054 1.00 25.00 H new ATOM 784 N HIS A 51 11.220 -7.075 14.912 1.00 25.00 N ATOM 785 CA HIS A 51 10.555 -6.758 16.188 1.00 25.00 C ATOM 786 C HIS A 51 10.353 -5.245 16.391 1.00 25.00 C ATOM 787 O HIS A 51 10.358 -4.759 17.513 1.00 25.00 O ATOM 788 CB HIS A 51 11.352 -7.338 17.374 1.00 25.00 C ATOM 789 CG HIS A 51 11.529 -8.828 17.317 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.476 -9.520 18.028 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.852 -9.781 16.618 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.349 -10.812 17.743 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.365 -11.028 16.896 1.00 25.00 N ATOM 0 H HIS A 51 10.702 -7.736 14.333 1.00 25.00 H new ATOM 0 HA HIS A 51 9.568 -7.219 16.147 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.334 -6.866 17.405 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.844 -7.077 18.303 1.00 25.00 H new ATOM 0 HD2 HIS A 51 10.031 -9.587 15.943 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.976 -11.589 18.156 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.051 -11.925 16.526 1.00 25.00 H new ATOM 801 N GLY A 52 10.182 -4.509 15.297 1.00 25.00 N ATOM 802 CA GLY A 52 9.971 -3.069 15.386 1.00 25.00 C ATOM 803 C GLY A 52 11.240 -2.257 15.583 1.00 25.00 C ATOM 804 O GLY A 52 11.170 -1.060 15.837 1.00 25.00 O ATOM 0 H GLY A 52 10.185 -4.882 14.348 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.476 -2.730 14.476 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.292 -2.865 16.214 1.00 25.00 H new ATOM 808 N ARG A 53 12.402 -2.891 15.454 1.00 25.00 N ATOM 809 CA ARG A 53 13.689 -2.227 15.638 1.00 25.00 C ATOM 810 C ARG A 53 14.427 -2.345 14.321 1.00 25.00 C ATOM 811 O ARG A 53 14.384 -3.387 13.678 1.00 25.00 O ATOM 812 CB ARG A 53 14.466 -2.927 16.768 1.00 25.00 C ATOM 813 CG ARG A 53 15.353 -2.010 17.633 1.00 25.00 C ATOM 814 CD ARG A 53 16.673 -1.631 16.958 1.00 25.00 C ATOM 815 NE ARG A 53 17.650 -1.124 17.936 1.00 25.00 N ATOM 816 CZ ARG A 53 18.907 -0.780 17.663 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.416 -0.824 16.460 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.670 -0.383 18.636 1.00 25.00 N ATOM 0 H ARG A 53 12.478 -3.881 15.219 1.00 25.00 H new ATOM 0 HA ARG A 53 13.572 -1.180 15.916 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.751 -3.430 17.419 1.00 25.00 H new ATOM 0 HB3 ARG A 53 15.095 -3.700 16.327 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.801 -1.101 17.871 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.567 -2.509 18.578 1.00 25.00 H new ATOM 0 HD2 ARG A 53 17.085 -2.501 16.447 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.490 -0.872 16.197 1.00 25.00 H new ATOM 0 HE ARG A 53 17.338 -1.028 18.902 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.843 -1.133 15.675 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.386 -0.549 16.306 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.303 -0.340 19.587 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.636 -0.115 18.450 1.00 25.00 H new ATOM 832 N GLN A 54 15.081 -1.278 13.906 1.00 25.00 N ATOM 833 CA GLN A 54 15.855 -1.275 12.667 1.00 25.00 C ATOM 834 C GLN A 54 17.326 -1.373 13.024 1.00 25.00 C ATOM 835 O GLN A 54 17.741 -0.852 14.049 1.00 25.00 O ATOM 836 CB GLN A 54 15.604 0.018 11.900 1.00 25.00 C ATOM 837 CG GLN A 54 14.824 -0.186 10.630 1.00 25.00 C ATOM 838 CD GLN A 54 14.439 1.122 9.963 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.279 1.352 9.658 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.402 1.979 9.733 1.00 25.00 N ATOM 0 H GLN A 54 15.095 -0.391 14.410 1.00 25.00 H new ATOM 0 HA GLN A 54 15.558 -2.117 12.042 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.064 0.714 12.542 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.561 0.482 11.660 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.417 -0.782 9.936 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.922 -0.756 10.850 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.360 1.754 10.001 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.194 2.872 9.286 1.00 25.00 H new ATOM 849 N GLY A 55 18.109 -2.023 12.181 1.00 25.00 N ATOM 850 CA GLY A 55 19.535 -2.120 12.424 1.00 25.00 C ATOM 851 C GLY A 55 20.249 -2.938 11.368 1.00 25.00 C ATOM 852 O GLY A 55 19.602 -3.561 10.527 1.00 25.00 O ATOM 0 H GLY A 55 17.785 -2.486 11.332 1.00 25.00 H new ATOM 0 HA2 GLY A 55 19.964 -1.118 12.455 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.704 -2.569 13.403 1.00 25.00 H new ATOM 856 N ILE A 56 21.570 -2.933 11.394 1.00 25.00 N ATOM 857 CA ILE A 56 22.360 -3.689 10.428 1.00 25.00 C ATOM 858 C ILE A 56 22.422 -5.154 10.866 1.00 25.00 C ATOM 859 O ILE A 56 22.222 -5.487 12.034 1.00 25.00 O ATOM 860 CB ILE A 56 23.795 -3.089 10.262 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.591 -3.214 11.578 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.681 -1.603 9.859 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.004 -2.655 11.519 1.00 25.00 C ATOM 0 H ILE A 56 22.123 -2.413 12.075 1.00 25.00 H new ATOM 0 HA ILE A 56 21.878 -3.625 9.453 1.00 25.00 H new ATOM 0 HB ILE A 56 24.324 -3.643 9.486 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.044 -2.700 12.368 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.642 -4.266 11.858 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.679 -1.180 9.742 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.140 -1.522 8.916 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.144 -1.056 10.634 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.488 -2.786 12.487 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.573 -3.184 10.755 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.965 -1.594 11.273 1.00 25.00 H new ATOM 875 N VAL A 57 22.650 -6.025 9.906 1.00 25.00 N ATOM 876 CA VAL A 57 22.712 -7.472 10.139 1.00 25.00 C ATOM 877 C VAL A 57 23.796 -8.040 9.239 1.00 25.00 C ATOM 878 O VAL A 57 23.894 -7.650 8.079 1.00 25.00 O ATOM 879 CB VAL A 57 21.372 -8.157 9.742 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.448 -9.648 9.865 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.223 -7.597 10.569 1.00 25.00 C ATOM 0 H VAL A 57 22.800 -5.758 8.933 1.00 25.00 H new ATOM 0 HA VAL A 57 22.911 -7.653 11.195 1.00 25.00 H new ATOM 0 HB VAL A 57 21.185 -7.933 8.692 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.492 -10.086 9.578 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.232 -10.028 9.210 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.676 -9.917 10.897 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.293 -8.087 10.279 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.414 -7.778 11.627 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.138 -6.524 10.394 1.00 25.00 H new ATOM 891 N PRO A 58 24.606 -8.986 9.733 1.00 25.00 N ATOM 892 CA PRO A 58 25.589 -9.569 8.824 1.00 25.00 C ATOM 893 C PRO A 58 24.922 -10.437 7.752 1.00 25.00 C ATOM 894 O PRO A 58 24.284 -11.455 8.049 1.00 25.00 O ATOM 895 CB PRO A 58 26.470 -10.387 9.767 1.00 25.00 C ATOM 896 CG PRO A 58 25.565 -10.774 10.885 1.00 25.00 C ATOM 897 CD PRO A 58 24.663 -9.597 11.073 1.00 25.00 C ATOM 0 HA PRO A 58 26.150 -8.828 8.255 1.00 25.00 H new ATOM 0 HB2 PRO A 58 26.879 -11.264 9.266 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.316 -9.802 10.126 1.00 25.00 H new ATOM 0 HG2 PRO A 58 24.997 -11.672 10.641 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.128 -10.989 11.793 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.674 -9.901 11.418 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.059 -8.902 11.814 1.00 25.00 H new ATOM 905 N GLY A 59 25.092 -10.049 6.495 1.00 25.00 N ATOM 906 CA GLY A 59 24.491 -10.773 5.386 1.00 25.00 C ATOM 907 C GLY A 59 25.031 -12.179 5.269 1.00 25.00 C ATOM 908 O GLY A 59 24.371 -13.074 4.750 1.00 25.00 O ATOM 0 H GLY A 59 25.642 -9.236 6.219 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.410 -10.810 5.521 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.678 -10.234 4.457 1.00 25.00 H new ATOM 912 N ASN A 60 26.208 -12.396 5.836 1.00 25.00 N ATOM 913 CA ASN A 60 26.836 -13.717 5.869 1.00 25.00 C ATOM 914 C ASN A 60 26.013 -14.742 6.672 1.00 25.00 C ATOM 915 O ASN A 60 26.227 -15.946 6.552 1.00 25.00 O ATOM 916 CB ASN A 60 28.241 -13.600 6.475 1.00 25.00 C ATOM 917 CG ASN A 60 29.252 -14.479 5.771 1.00 25.00 C ATOM 918 OD1 ASN A 60 30.202 -13.991 5.199 1.00 25.00 O ATOM 919 ND2 ASN A 60 29.032 -15.764 5.784 1.00 25.00 N ATOM 0 H ASN A 60 26.758 -11.665 6.287 1.00 25.00 H new ATOM 0 HA ASN A 60 26.891 -14.078 4.842 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.570 -12.562 6.424 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.202 -13.871 7.530 1.00 25.00 H new ATOM 0 HD21 ASN A 60 29.671 -16.396 5.301 1.00 25.00 H new ATOM 0 HD22 ASN A 60 28.221 -16.138 6.277 1.00 25.00 H new ATOM 926 N ARG A 61 25.072 -14.265 7.478 1.00 25.00 N ATOM 927 CA ARG A 61 24.209 -15.136 8.283 1.00 25.00 C ATOM 928 C ARG A 61 22.741 -15.037 7.845 1.00 25.00 C ATOM 929 O ARG A 61 21.854 -15.586 8.509 1.00 25.00 O ATOM 930 CB ARG A 61 24.349 -14.771 9.773 1.00 25.00 C ATOM 931 CG ARG A 61 25.765 -15.001 10.327 1.00 25.00 C ATOM 932 CD ARG A 61 25.875 -14.598 11.788 1.00 25.00 C ATOM 933 NE ARG A 61 27.227 -14.880 12.304 1.00 25.00 N ATOM 934 CZ ARG A 61 27.661 -14.589 13.526 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.932 -13.977 14.420 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.881 -14.926 13.846 1.00 25.00 N ATOM 0 H ARG A 61 24.882 -13.270 7.595 1.00 25.00 H new ATOM 0 HA ARG A 61 24.528 -16.167 8.130 1.00 25.00 H new ATOM 0 HB2 ARG A 61 24.079 -13.724 9.910 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.640 -15.362 10.353 1.00 25.00 H new ATOM 0 HG2 ARG A 61 26.030 -16.053 10.220 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.482 -14.430 9.738 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.653 -13.536 11.896 1.00 25.00 H new ATOM 0 HD3 ARG A 61 25.135 -15.140 12.377 1.00 25.00 H new ATOM 0 HE ARG A 61 27.884 -15.336 11.671 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.977 -13.697 14.195 1.00 25.00 H new ATOM 0 HH12 ARG A 61 27.317 -13.779 15.343 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.474 -15.400 13.165 1.00 25.00 H new ATOM 0 HH22 ARG A 61 29.241 -14.715 14.777 1.00 25.00 H new ATOM 950 N LEU A 62 22.485 -14.372 6.723 1.00 25.00 N ATOM 951 CA LEU A 62 21.120 -14.197 6.212 1.00 25.00 C ATOM 952 C LEU A 62 20.892 -14.787 4.835 1.00 25.00 C ATOM 953 O LEU A 62 21.777 -14.832 3.991 1.00 25.00 O ATOM 954 CB LEU A 62 20.775 -12.710 6.118 1.00 25.00 C ATOM 955 CG LEU A 62 20.013 -12.105 7.295 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.740 -10.642 6.974 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.696 -12.810 7.594 1.00 25.00 C ATOM 0 H LEU A 62 23.206 -13.941 6.144 1.00 25.00 H new ATOM 0 HA LEU A 62 20.487 -14.727 6.923 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.703 -12.153 5.992 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.185 -12.554 5.215 1.00 25.00 H new ATOM 0 HG LEU A 62 20.631 -12.221 8.186 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.195 -10.184 7.800 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.685 -10.119 6.828 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.144 -10.574 6.064 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.209 -12.327 8.441 1.00 25.00 H new ATOM 0 HD22 LEU A 62 18.046 -12.752 6.721 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.889 -13.856 7.834 1.00 25.00 H new ATOM 969 N LYS A 63 19.649 -15.170 4.593 1.00 25.00 N ATOM 970 CA LYS A 63 19.224 -15.631 3.268 1.00 25.00 C ATOM 971 C LYS A 63 17.997 -14.877 2.830 1.00 25.00 C ATOM 972 O LYS A 63 16.951 -14.969 3.461 1.00 25.00 O ATOM 973 CB LYS A 63 18.918 -17.135 3.270 1.00 25.00 C ATOM 974 CG LYS A 63 18.382 -17.648 1.926 1.00 25.00 C ATOM 975 CD LYS A 63 18.274 -19.175 1.859 1.00 25.00 C ATOM 976 CE LYS A 63 17.165 -19.732 2.749 1.00 25.00 C ATOM 977 NZ LYS A 63 17.062 -21.232 2.587 1.00 25.00 N ATOM 0 H LYS A 63 18.909 -15.173 5.295 1.00 25.00 H new ATOM 0 HA LYS A 63 20.043 -15.445 2.574 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.825 -17.683 3.524 1.00 25.00 H new ATOM 0 HB3 LYS A 63 18.187 -17.349 4.050 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.399 -17.213 1.745 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.036 -17.302 1.126 1.00 25.00 H new ATOM 0 HD2 LYS A 63 18.091 -19.476 0.828 1.00 25.00 H new ATOM 0 HD3 LYS A 63 19.226 -19.615 2.155 1.00 25.00 H new ATOM 0 HE2 LYS A 63 17.368 -19.486 3.791 1.00 25.00 H new ATOM 0 HE3 LYS A 63 16.214 -19.266 2.491 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 16.304 -21.596 3.199 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 16.847 -21.460 1.595 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 17.965 -21.673 2.856 1.00 25.00 H new ATOM 991 N ILE A 64 18.118 -14.177 1.717 1.00 25.00 N ATOM 992 CA ILE A 64 16.994 -13.459 1.133 1.00 25.00 C ATOM 993 C ILE A 64 15.986 -14.489 0.644 1.00 25.00 C ATOM 994 O ILE A 64 16.333 -15.416 -0.097 1.00 25.00 O ATOM 995 CB ILE A 64 17.437 -12.594 -0.080 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.561 -11.614 0.313 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.256 -11.815 -0.646 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.174 -10.504 1.309 1.00 25.00 C ATOM 0 H ILE A 64 18.989 -14.089 1.194 1.00 25.00 H new ATOM 0 HA ILE A 64 16.569 -12.798 1.888 1.00 25.00 H new ATOM 0 HB ILE A 64 17.818 -13.273 -0.843 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.383 -12.188 0.741 1.00 25.00 H new ATOM 0 HG13 ILE A 64 18.939 -11.144 -0.595 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.588 -11.216 -1.494 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.484 -12.511 -0.974 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.850 -11.159 0.124 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.043 -9.877 1.511 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.378 -9.894 0.883 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.828 -10.954 2.239 1.00 25.00 H new ATOM 1010 N LEU A 65 14.743 -14.344 1.066 1.00 25.00 N ATOM 1011 CA LEU A 65 13.693 -15.272 0.666 1.00 25.00 C ATOM 1012 C LEU A 65 13.030 -14.777 -0.612 1.00 25.00 C ATOM 1013 O LEU A 65 11.915 -14.281 -0.601 1.00 25.00 O ATOM 1014 CB LEU A 65 12.664 -15.428 1.788 1.00 25.00 C ATOM 1015 CG LEU A 65 13.243 -15.937 3.117 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.130 -16.019 4.143 1.00 25.00 C ATOM 1017 CD2 LEU A 65 13.921 -17.310 2.958 1.00 25.00 C ATOM 0 H LEU A 65 14.433 -13.595 1.685 1.00 25.00 H new ATOM 0 HA LEU A 65 14.134 -16.250 0.475 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.184 -14.465 1.960 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.886 -16.117 1.458 1.00 25.00 H new ATOM 0 HG LEU A 65 14.008 -15.236 3.450 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.533 -16.380 5.089 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.695 -15.030 4.287 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.361 -16.706 3.791 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.317 -17.634 3.920 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.191 -18.037 2.603 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.736 -17.232 2.238 1.00 25.00 H new ATOM 1327 N PRO A 89 29.134 -18.686 10.776 1.00 25.00 N ATOM 1328 CA PRO A 89 30.296 -18.079 10.125 1.00 25.00 C ATOM 1329 C PRO A 89 30.582 -16.678 10.668 1.00 25.00 C ATOM 1330 O PRO A 89 29.706 -16.064 11.300 1.00 25.00 O ATOM 1331 CB PRO A 89 29.863 -18.026 8.657 1.00 25.00 C ATOM 1332 CG PRO A 89 28.406 -17.830 8.726 1.00 25.00 C ATOM 1333 CD PRO A 89 27.973 -18.706 9.868 1.00 25.00 C ATOM 0 HA PRO A 89 31.219 -18.635 10.290 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.351 -17.209 8.125 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.118 -18.946 8.131 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.152 -16.785 8.906 1.00 25.00 H new ATOM 0 HG3 PRO A 89 27.920 -18.120 7.794 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.077 -18.319 10.353 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.743 -19.717 9.533 1.00 25.00 H new ATOM 1341 N PRO A 90 31.794 -16.139 10.427 1.00 25.00 N ATOM 1342 CA PRO A 90 32.087 -14.783 10.907 1.00 25.00 C ATOM 1343 C PRO A 90 31.171 -13.711 10.317 1.00 25.00 C ATOM 1344 O PRO A 90 30.547 -13.899 9.269 1.00 25.00 O ATOM 1345 CB PRO A 90 33.527 -14.545 10.426 1.00 25.00 C ATOM 1346 CG PRO A 90 34.094 -15.904 10.248 1.00 25.00 C ATOM 1347 CD PRO A 90 32.954 -16.706 9.712 1.00 25.00 C ATOM 0 HA PRO A 90 31.942 -14.712 11.985 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.545 -13.983 9.492 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.098 -13.970 11.155 1.00 25.00 H new ATOM 0 HG2 PRO A 90 34.937 -15.897 9.557 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.459 -16.311 11.191 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.856 -16.599 8.632 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.076 -17.770 9.917 1.00 25.00 H new ATOM 1355 N LYS A 91 31.126 -12.567 10.987 1.00 25.00 N ATOM 1356 CA LYS A 91 30.398 -11.403 10.487 1.00 25.00 C ATOM 1357 C LYS A 91 31.448 -10.481 9.862 1.00 25.00 C ATOM 1358 O LYS A 91 32.616 -10.533 10.257 1.00 25.00 O ATOM 1359 CB LYS A 91 29.643 -10.694 11.632 1.00 25.00 C ATOM 1360 CG LYS A 91 30.512 -10.309 12.835 1.00 25.00 C ATOM 1361 CD LYS A 91 29.750 -9.446 13.864 1.00 25.00 C ATOM 1362 CE LYS A 91 28.595 -10.197 14.558 1.00 25.00 C ATOM 1363 NZ LYS A 91 28.015 -9.362 15.661 1.00 25.00 N ATOM 0 H LYS A 91 31.588 -12.418 11.884 1.00 25.00 H new ATOM 0 HA LYS A 91 29.644 -11.690 9.754 1.00 25.00 H new ATOM 0 HB2 LYS A 91 29.176 -9.792 11.236 1.00 25.00 H new ATOM 0 HB3 LYS A 91 28.839 -11.345 11.976 1.00 25.00 H new ATOM 0 HG2 LYS A 91 30.874 -11.214 13.322 1.00 25.00 H new ATOM 0 HG3 LYS A 91 31.388 -9.763 12.486 1.00 25.00 H new ATOM 0 HD2 LYS A 91 30.451 -9.093 14.621 1.00 25.00 H new ATOM 0 HD3 LYS A 91 29.351 -8.564 13.363 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.820 -10.438 13.830 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.958 -11.142 14.962 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 27.104 -9.765 15.959 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.670 -9.351 16.469 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.869 -8.390 15.321 1.00 25.00 H new ATOM 1377 N PRO A 92 31.061 -9.650 8.878 1.00 25.00 N ATOM 1378 CA PRO A 92 32.062 -8.728 8.329 1.00 25.00 C ATOM 1379 C PRO A 92 32.449 -7.661 9.370 1.00 25.00 C ATOM 1380 O PRO A 92 31.729 -7.461 10.352 1.00 25.00 O ATOM 1381 CB PRO A 92 31.343 -8.125 7.113 1.00 25.00 C ATOM 1382 CG PRO A 92 29.913 -8.197 7.448 1.00 25.00 C ATOM 1383 CD PRO A 92 29.745 -9.463 8.232 1.00 25.00 C ATOM 0 HA PRO A 92 33.003 -9.207 8.058 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.657 -7.096 6.938 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.565 -8.685 6.204 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.603 -7.330 8.032 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.300 -8.210 6.547 1.00 25.00 H new ATOM 0 HD2 PRO A 92 28.946 -9.375 8.968 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.493 -10.304 7.586 1.00 25.00 H new