USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=11 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 X(o=0,f=-0.17) 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= 1.1 K(o=1.1,f=-4.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0.019 USER MOD Single : A 28 LYS NZ :NH3+ 178:sc= 1.03 (180deg=1.03) USER MOD Single : A 32 MET CE :methyl -125:sc= -1.08 (180deg=-1.87) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 91:sc= 1.23 USER MOD Single : A 40 GLN : amide:sc= 0.327 X(o=0.33,f=0) USER MOD Single : A 48 CYS SG : rot 56:sc= 0.127 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc=-0.00539 X(o=-0.0054,f=0) USER MOD Single : A 54 GLN : amide:sc= -0.129 X(o=-0.13,f=-0.019) USER MOD Single : A 60 ASN : amide:sc= 0.728 K(o=0.73,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 159:sc= 1.76 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 59 N TYR A 5 12.663 1.622 0.283 1.00 25.00 N ATOM 60 CA TYR A 5 13.536 0.477 0.519 1.00 25.00 C ATOM 61 C TYR A 5 13.180 -0.790 -0.279 1.00 25.00 C ATOM 62 O TYR A 5 12.180 -0.844 -0.979 1.00 25.00 O ATOM 63 CB TYR A 5 13.578 0.187 2.021 1.00 25.00 C ATOM 64 CG TYR A 5 14.426 1.168 2.801 1.00 25.00 C ATOM 65 CD1 TYR A 5 15.811 1.297 2.541 1.00 25.00 C ATOM 66 CD2 TYR A 5 13.863 1.959 3.826 1.00 25.00 C ATOM 67 CE1 TYR A 5 16.616 2.186 3.296 1.00 25.00 C ATOM 68 CE2 TYR A 5 14.672 2.852 4.583 1.00 25.00 C ATOM 69 CZ TYR A 5 16.042 2.948 4.309 1.00 25.00 C ATOM 70 OH TYR A 5 16.829 3.797 5.040 1.00 25.00 O ATOM 0 HA TYR A 5 14.522 0.757 0.149 1.00 25.00 H new ATOM 0 HB2 TYR A 5 12.562 0.204 2.415 1.00 25.00 H new ATOM 0 HB3 TYR A 5 13.964 -0.820 2.178 1.00 25.00 H new ATOM 0 HD1 TYR A 5 16.261 0.709 1.755 1.00 25.00 H new ATOM 0 HD2 TYR A 5 12.807 1.886 4.038 1.00 25.00 H new ATOM 0 HE1 TYR A 5 17.672 2.272 3.086 1.00 25.00 H new ATOM 0 HE2 TYR A 5 14.232 3.453 5.365 1.00 25.00 H new ATOM 0 HH TYR A 5 16.280 4.258 5.708 1.00 25.00 H new ATOM 80 N LEU A 6 14.043 -1.794 -0.191 1.00 25.00 N ATOM 81 CA LEU A 6 13.839 -3.069 -0.882 1.00 25.00 C ATOM 82 C LEU A 6 12.618 -3.770 -0.287 1.00 25.00 C ATOM 83 O LEU A 6 11.825 -4.366 -1.006 1.00 25.00 O ATOM 84 CB LEU A 6 15.072 -3.970 -0.720 1.00 25.00 C ATOM 85 CG LEU A 6 16.432 -3.491 -1.251 1.00 25.00 C ATOM 86 CD1 LEU A 6 17.515 -4.524 -0.870 1.00 25.00 C ATOM 87 CD2 LEU A 6 16.418 -3.299 -2.766 1.00 25.00 C ATOM 0 H LEU A 6 14.902 -1.752 0.358 1.00 25.00 H new ATOM 0 HA LEU A 6 13.682 -2.877 -1.943 1.00 25.00 H new ATOM 0 HB2 LEU A 6 15.190 -4.174 0.344 1.00 25.00 H new ATOM 0 HB3 LEU A 6 14.848 -4.921 -1.204 1.00 25.00 H new ATOM 0 HG LEU A 6 16.650 -2.524 -0.799 1.00 25.00 H new ATOM 0 HD11 LEU A 6 18.483 -4.191 -1.244 1.00 25.00 H new ATOM 0 HD12 LEU A 6 17.559 -4.622 0.215 1.00 25.00 H new ATOM 0 HD13 LEU A 6 17.268 -5.489 -1.312 1.00 25.00 H new ATOM 0 HD21 LEU A 6 17.399 -2.960 -3.099 1.00 25.00 H new ATOM 0 HD22 LEU A 6 16.177 -4.245 -3.250 1.00 25.00 H new ATOM 0 HD23 LEU A 6 15.667 -2.554 -3.031 1.00 25.00 H new ATOM 99 N ASN A 7 12.492 -3.667 1.033 1.00 25.00 N ATOM 100 CA ASN A 7 11.363 -4.224 1.796 1.00 25.00 C ATOM 101 C ASN A 7 11.080 -5.708 1.466 1.00 25.00 C ATOM 102 O ASN A 7 9.957 -6.108 1.163 1.00 25.00 O ATOM 103 CB ASN A 7 10.127 -3.324 1.601 1.00 25.00 C ATOM 104 CG ASN A 7 9.744 -2.601 2.862 1.00 25.00 C ATOM 105 OD1 ASN A 7 9.409 -3.210 3.861 1.00 25.00 O ATOM 106 ND2 ASN A 7 9.818 -1.304 2.835 1.00 25.00 N ATOM 0 H ASN A 7 13.178 -3.189 1.617 1.00 25.00 H new ATOM 0 HA ASN A 7 11.631 -4.227 2.852 1.00 25.00 H new ATOM 0 HB2 ASN A 7 10.330 -2.597 0.815 1.00 25.00 H new ATOM 0 HB3 ASN A 7 9.287 -3.932 1.264 1.00 25.00 H new ATOM 0 HD21 ASN A 7 9.591 -0.763 3.669 1.00 25.00 H new ATOM 0 HD22 ASN A 7 10.103 -0.827 1.979 1.00 25.00 H new ATOM 113 N VAL A 8 12.122 -6.525 1.543 1.00 25.00 N ATOM 114 CA VAL A 8 12.018 -7.958 1.243 1.00 25.00 C ATOM 115 C VAL A 8 12.113 -8.717 2.560 1.00 25.00 C ATOM 116 O VAL A 8 12.571 -8.169 3.543 1.00 25.00 O ATOM 117 CB VAL A 8 13.159 -8.421 0.257 1.00 25.00 C ATOM 118 CG1 VAL A 8 13.649 -7.251 -0.582 1.00 25.00 C ATOM 119 CG2 VAL A 8 14.353 -9.015 0.996 1.00 25.00 C ATOM 0 H VAL A 8 13.058 -6.223 1.812 1.00 25.00 H new ATOM 0 HA VAL A 8 11.068 -8.163 0.750 1.00 25.00 H new ATOM 0 HB VAL A 8 12.723 -9.190 -0.380 1.00 25.00 H new ATOM 0 HG11 VAL A 8 14.436 -7.591 -1.256 1.00 25.00 H new ATOM 0 HG12 VAL A 8 12.820 -6.849 -1.165 1.00 25.00 H new ATOM 0 HG13 VAL A 8 14.043 -6.473 0.073 1.00 25.00 H new ATOM 0 HG21 VAL A 8 15.112 -9.319 0.275 1.00 25.00 H new ATOM 0 HG22 VAL A 8 14.772 -8.268 1.671 1.00 25.00 H new ATOM 0 HG23 VAL A 8 14.030 -9.883 1.571 1.00 25.00 H new ATOM 129 N LEU A 9 11.726 -9.981 2.579 1.00 25.00 N ATOM 130 CA LEU A 9 11.879 -10.800 3.784 1.00 25.00 C ATOM 131 C LEU A 9 13.146 -11.645 3.665 1.00 25.00 C ATOM 132 O LEU A 9 13.469 -12.131 2.583 1.00 25.00 O ATOM 133 CB LEU A 9 10.665 -11.716 3.965 1.00 25.00 C ATOM 134 CG LEU A 9 9.307 -11.017 4.138 1.00 25.00 C ATOM 135 CD1 LEU A 9 8.218 -12.078 4.298 1.00 25.00 C ATOM 136 CD2 LEU A 9 9.294 -10.072 5.342 1.00 25.00 C ATOM 0 H LEU A 9 11.307 -10.465 1.785 1.00 25.00 H new ATOM 0 HA LEU A 9 11.954 -10.144 4.651 1.00 25.00 H new ATOM 0 HB2 LEU A 9 10.602 -12.377 3.100 1.00 25.00 H new ATOM 0 HB3 LEU A 9 10.839 -12.347 4.837 1.00 25.00 H new ATOM 0 HG LEU A 9 9.122 -10.412 3.251 1.00 25.00 H new ATOM 0 HD11 LEU A 9 7.251 -11.591 4.421 1.00 25.00 H new ATOM 0 HD12 LEU A 9 8.195 -12.712 3.412 1.00 25.00 H new ATOM 0 HD13 LEU A 9 8.431 -12.689 5.175 1.00 25.00 H new ATOM 0 HD21 LEU A 9 8.314 -9.601 5.424 1.00 25.00 H new ATOM 0 HD22 LEU A 9 9.502 -10.637 6.250 1.00 25.00 H new ATOM 0 HD23 LEU A 9 10.056 -9.304 5.210 1.00 25.00 H new ATOM 148 N ALA A 10 13.850 -11.841 4.768 1.00 25.00 N ATOM 149 CA ALA A 10 15.044 -12.684 4.783 1.00 25.00 C ATOM 150 C ALA A 10 15.038 -13.555 6.038 1.00 25.00 C ATOM 151 O ALA A 10 14.600 -13.106 7.093 1.00 25.00 O ATOM 152 CB ALA A 10 16.290 -11.823 4.739 1.00 25.00 C ATOM 0 H ALA A 10 13.617 -11.427 5.671 1.00 25.00 H new ATOM 0 HA ALA A 10 15.042 -13.329 3.905 1.00 25.00 H new ATOM 0 HB1 ALA A 10 17.174 -12.461 4.751 1.00 25.00 H new ATOM 0 HB2 ALA A 10 16.287 -11.224 3.828 1.00 25.00 H new ATOM 0 HB3 ALA A 10 16.307 -11.163 5.607 1.00 25.00 H new ATOM 158 N LYS A 11 15.519 -14.787 5.920 1.00 25.00 N ATOM 159 CA LYS A 11 15.578 -15.720 7.054 1.00 25.00 C ATOM 160 C LYS A 11 16.987 -15.832 7.610 1.00 25.00 C ATOM 161 O LYS A 11 17.950 -15.973 6.854 1.00 25.00 O ATOM 162 CB LYS A 11 15.108 -17.117 6.635 1.00 25.00 C ATOM 163 CG LYS A 11 15.259 -18.173 7.740 1.00 25.00 C ATOM 164 CD LYS A 11 14.400 -19.413 7.526 1.00 25.00 C ATOM 165 CE LYS A 11 12.940 -19.131 7.876 1.00 25.00 C ATOM 166 NZ LYS A 11 12.118 -20.372 8.084 1.00 25.00 N ATOM 0 H LYS A 11 15.878 -15.171 5.046 1.00 25.00 H new ATOM 0 HA LYS A 11 14.918 -15.322 7.825 1.00 25.00 H new ATOM 0 HB2 LYS A 11 14.061 -17.064 6.335 1.00 25.00 H new ATOM 0 HB3 LYS A 11 15.675 -17.435 5.760 1.00 25.00 H new ATOM 0 HG2 LYS A 11 16.305 -18.473 7.802 1.00 25.00 H new ATOM 0 HG3 LYS A 11 14.999 -17.723 8.698 1.00 25.00 H new ATOM 0 HD2 LYS A 11 14.473 -19.737 6.488 1.00 25.00 H new ATOM 0 HD3 LYS A 11 14.775 -20.231 8.142 1.00 25.00 H new ATOM 0 HE2 LYS A 11 12.903 -18.525 8.782 1.00 25.00 H new ATOM 0 HE3 LYS A 11 12.492 -18.539 7.078 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 11.140 -20.106 8.318 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 12.123 -20.942 7.214 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 12.521 -20.929 8.865 1.00 25.00 H new ATOM 180 N ALA A 12 17.091 -15.836 8.930 1.00 25.00 N ATOM 181 CA ALA A 12 18.357 -16.031 9.618 1.00 25.00 C ATOM 182 C ALA A 12 18.784 -17.500 9.518 1.00 25.00 C ATOM 183 O ALA A 12 18.027 -18.388 9.902 1.00 25.00 O ATOM 184 CB ALA A 12 18.190 -15.623 11.082 1.00 25.00 C ATOM 0 H ALA A 12 16.297 -15.704 9.556 1.00 25.00 H new ATOM 0 HA ALA A 12 19.130 -15.417 9.156 1.00 25.00 H new ATOM 0 HB1 ALA A 12 19.133 -15.765 11.609 1.00 25.00 H new ATOM 0 HB2 ALA A 12 17.898 -14.574 11.136 1.00 25.00 H new ATOM 0 HB3 ALA A 12 17.419 -16.239 11.546 1.00 25.00 H new ATOM 190 N LEU A 13 19.987 -17.767 9.031 1.00 25.00 N ATOM 191 CA LEU A 13 20.502 -19.139 8.978 1.00 25.00 C ATOM 192 C LEU A 13 21.202 -19.465 10.270 1.00 25.00 C ATOM 193 O LEU A 13 21.453 -20.620 10.574 1.00 25.00 O ATOM 194 CB LEU A 13 21.528 -19.316 7.861 1.00 25.00 C ATOM 195 CG LEU A 13 21.124 -19.191 6.394 1.00 25.00 C ATOM 196 CD1 LEU A 13 19.666 -19.590 6.129 1.00 25.00 C ATOM 197 CD2 LEU A 13 21.391 -17.799 5.901 1.00 25.00 C ATOM 0 H LEU A 13 20.626 -17.060 8.667 1.00 25.00 H new ATOM 0 HA LEU A 13 19.649 -19.794 8.801 1.00 25.00 H new ATOM 0 HB2 LEU A 13 22.320 -18.588 8.037 1.00 25.00 H new ATOM 0 HB3 LEU A 13 21.970 -20.304 7.987 1.00 25.00 H new ATOM 0 HG LEU A 13 21.738 -19.900 5.838 1.00 25.00 H new ATOM 0 HD11 LEU A 13 19.445 -19.478 5.068 1.00 25.00 H new ATOM 0 HD12 LEU A 13 19.514 -20.628 6.424 1.00 25.00 H new ATOM 0 HD13 LEU A 13 19.002 -18.948 6.708 1.00 25.00 H new ATOM 0 HD21 LEU A 13 21.099 -17.722 4.854 1.00 25.00 H new ATOM 0 HD22 LEU A 13 20.815 -17.087 6.492 1.00 25.00 H new ATOM 0 HD23 LEU A 13 22.453 -17.576 5.999 1.00 25.00 H new ATOM 209 N TYR A 14 21.548 -18.433 11.010 1.00 25.00 N ATOM 210 CA TYR A 14 22.260 -18.573 12.269 1.00 25.00 C ATOM 211 C TYR A 14 21.700 -17.509 13.177 1.00 25.00 C ATOM 212 O TYR A 14 21.066 -16.580 12.696 1.00 25.00 O ATOM 213 CB TYR A 14 23.754 -18.351 12.060 1.00 25.00 C ATOM 214 CG TYR A 14 24.339 -19.294 11.038 1.00 25.00 C ATOM 215 CD1 TYR A 14 24.449 -18.914 9.686 1.00 25.00 C ATOM 216 CD2 TYR A 14 24.762 -20.585 11.409 1.00 25.00 C ATOM 217 CE1 TYR A 14 24.963 -19.812 8.716 1.00 25.00 C ATOM 218 CE2 TYR A 14 25.294 -21.478 10.447 1.00 25.00 C ATOM 219 CZ TYR A 14 25.384 -21.084 9.108 1.00 25.00 C ATOM 220 OH TYR A 14 25.889 -21.946 8.173 1.00 25.00 O ATOM 0 H TYR A 14 21.343 -17.466 10.756 1.00 25.00 H new ATOM 0 HA TYR A 14 22.136 -19.570 12.691 1.00 25.00 H new ATOM 0 HB2 TYR A 14 23.924 -17.323 11.741 1.00 25.00 H new ATOM 0 HB3 TYR A 14 24.274 -18.481 13.009 1.00 25.00 H new ATOM 0 HD1 TYR A 14 24.138 -17.925 9.384 1.00 25.00 H new ATOM 0 HD2 TYR A 14 24.680 -20.898 12.439 1.00 25.00 H new ATOM 0 HE1 TYR A 14 25.028 -19.514 7.680 1.00 25.00 H new ATOM 0 HE2 TYR A 14 25.629 -22.460 10.746 1.00 25.00 H new ATOM 0 HH TYR A 14 26.138 -22.789 8.606 1.00 25.00 H new ATOM 230 N ASP A 15 21.924 -17.626 14.470 1.00 25.00 N ATOM 231 CA ASP A 15 21.502 -16.597 15.399 1.00 25.00 C ATOM 232 C ASP A 15 22.526 -15.472 15.359 1.00 25.00 C ATOM 233 O ASP A 15 23.612 -15.619 14.788 1.00 25.00 O ATOM 234 CB ASP A 15 21.366 -17.167 16.812 1.00 25.00 C ATOM 235 CG ASP A 15 22.676 -17.675 17.375 1.00 25.00 C ATOM 236 OD1 ASP A 15 23.280 -18.581 16.759 1.00 25.00 O ATOM 237 OD2 ASP A 15 23.028 -17.262 18.497 1.00 25.00 O ATOM 0 H ASP A 15 22.395 -18.422 14.901 1.00 25.00 H new ATOM 0 HA ASP A 15 20.523 -16.213 15.112 1.00 25.00 H new ATOM 0 HB2 ASP A 15 20.968 -16.396 17.472 1.00 25.00 H new ATOM 0 HB3 ASP A 15 20.642 -17.982 16.801 1.00 25.00 H new ATOM 242 N ASN A 16 22.172 -14.338 15.932 1.00 25.00 N ATOM 243 CA ASN A 16 23.059 -13.195 15.956 1.00 25.00 C ATOM 244 C ASN A 16 22.894 -12.464 17.267 1.00 25.00 C ATOM 245 O ASN A 16 21.777 -12.163 17.682 1.00 25.00 O ATOM 246 CB ASN A 16 22.752 -12.245 14.801 1.00 25.00 C ATOM 247 CG ASN A 16 23.888 -11.301 14.537 1.00 25.00 C ATOM 248 OD1 ASN A 16 25.000 -11.743 14.286 1.00 25.00 O ATOM 249 ND2 ASN A 16 23.643 -10.029 14.624 1.00 25.00 N ATOM 0 H ASN A 16 21.273 -14.185 16.388 1.00 25.00 H new ATOM 0 HA ASN A 16 24.085 -13.547 15.850 1.00 25.00 H new ATOM 0 HB2 ASN A 16 22.544 -12.823 13.901 1.00 25.00 H new ATOM 0 HB3 ASN A 16 21.852 -11.675 15.029 1.00 25.00 H new ATOM 0 HD21 ASN A 16 24.394 -9.354 14.481 1.00 25.00 H new ATOM 0 HD22 ASN A 16 22.699 -9.705 14.836 1.00 25.00 H new ATOM 256 N VAL A 17 24.011 -12.166 17.899 1.00 25.00 N ATOM 257 CA VAL A 17 24.026 -11.389 19.123 1.00 25.00 C ATOM 258 C VAL A 17 24.540 -10.043 18.674 1.00 25.00 C ATOM 259 O VAL A 17 25.582 -9.959 18.028 1.00 25.00 O ATOM 260 CB VAL A 17 24.954 -12.019 20.194 1.00 25.00 C ATOM 261 CG1 VAL A 17 25.009 -11.142 21.457 1.00 25.00 C ATOM 262 CG2 VAL A 17 24.452 -13.428 20.563 1.00 25.00 C ATOM 0 H VAL A 17 24.935 -12.456 17.579 1.00 25.00 H new ATOM 0 HA VAL A 17 23.047 -11.336 19.599 1.00 25.00 H new ATOM 0 HB VAL A 17 25.958 -12.089 19.776 1.00 25.00 H new ATOM 0 HG11 VAL A 17 25.666 -11.605 22.193 1.00 25.00 H new ATOM 0 HG12 VAL A 17 25.392 -10.155 21.198 1.00 25.00 H new ATOM 0 HG13 VAL A 17 24.007 -11.044 21.876 1.00 25.00 H new ATOM 0 HG21 VAL A 17 25.110 -13.863 21.316 1.00 25.00 H new ATOM 0 HG22 VAL A 17 23.439 -13.361 20.961 1.00 25.00 H new ATOM 0 HG23 VAL A 17 24.451 -14.058 19.674 1.00 25.00 H new ATOM 272 N ALA A 18 23.762 -9.012 18.944 1.00 25.00 N ATOM 273 CA ALA A 18 24.112 -7.667 18.541 1.00 25.00 C ATOM 274 C ALA A 18 25.227 -7.165 19.456 1.00 25.00 C ATOM 275 O ALA A 18 25.057 -7.104 20.673 1.00 25.00 O ATOM 276 CB ALA A 18 22.889 -6.774 18.632 1.00 25.00 C ATOM 0 H ALA A 18 22.876 -9.084 19.445 1.00 25.00 H new ATOM 0 HA ALA A 18 24.462 -7.654 17.509 1.00 25.00 H new ATOM 0 HB1 ALA A 18 23.154 -5.761 18.328 1.00 25.00 H new ATOM 0 HB2 ALA A 18 22.109 -7.157 17.974 1.00 25.00 H new ATOM 0 HB3 ALA A 18 22.524 -6.761 19.659 1.00 25.00 H new ATOM 282 N GLU A 19 26.368 -6.854 18.867 1.00 25.00 N ATOM 283 CA GLU A 19 27.533 -6.389 19.624 1.00 25.00 C ATOM 284 C GLU A 19 27.649 -4.881 19.480 1.00 25.00 C ATOM 285 O GLU A 19 28.205 -4.197 20.331 1.00 25.00 O ATOM 286 CB GLU A 19 28.801 -7.061 19.089 1.00 25.00 C ATOM 287 CG GLU A 19 28.815 -8.559 19.332 1.00 25.00 C ATOM 288 CD GLU A 19 30.047 -9.236 18.751 1.00 25.00 C ATOM 289 OE1 GLU A 19 31.175 -8.929 19.180 1.00 25.00 O ATOM 290 OE2 GLU A 19 29.875 -10.085 17.841 1.00 25.00 O ATOM 0 H GLU A 19 26.520 -6.913 17.860 1.00 25.00 H new ATOM 0 HA GLU A 19 27.414 -6.648 20.676 1.00 25.00 H new ATOM 0 HB2 GLU A 19 28.885 -6.869 18.019 1.00 25.00 H new ATOM 0 HB3 GLU A 19 29.674 -6.612 19.563 1.00 25.00 H new ATOM 0 HG2 GLU A 19 28.772 -8.749 20.404 1.00 25.00 H new ATOM 0 HG3 GLU A 19 27.921 -9.003 18.894 1.00 25.00 H new ATOM 297 N SER A 20 27.093 -4.370 18.393 1.00 25.00 N ATOM 298 CA SER A 20 27.080 -2.939 18.122 1.00 25.00 C ATOM 299 C SER A 20 25.675 -2.422 18.353 1.00 25.00 C ATOM 300 O SER A 20 24.704 -3.162 18.196 1.00 25.00 O ATOM 301 CB SER A 20 27.514 -2.688 16.680 1.00 25.00 C ATOM 302 OG SER A 20 28.834 -3.155 16.491 1.00 25.00 O ATOM 0 H SER A 20 26.639 -4.933 17.674 1.00 25.00 H new ATOM 0 HA SER A 20 27.772 -2.418 18.784 1.00 25.00 H new ATOM 0 HB2 SER A 20 26.837 -3.195 15.993 1.00 25.00 H new ATOM 0 HB3 SER A 20 27.459 -1.623 16.454 1.00 25.00 H new ATOM 0 HG SER A 20 29.108 -2.994 15.564 1.00 25.00 H new ATOM 308 N PRO A 21 25.537 -1.136 18.708 1.00 25.00 N ATOM 309 CA PRO A 21 24.197 -0.599 18.959 1.00 25.00 C ATOM 310 C PRO A 21 23.360 -0.469 17.692 1.00 25.00 C ATOM 311 O PRO A 21 22.141 -0.325 17.764 1.00 25.00 O ATOM 312 CB PRO A 21 24.491 0.770 19.576 1.00 25.00 C ATOM 313 CG PRO A 21 25.801 1.157 18.987 1.00 25.00 C ATOM 314 CD PRO A 21 26.578 -0.111 18.922 1.00 25.00 C ATOM 0 HA PRO A 21 23.603 -1.253 19.598 1.00 25.00 H new ATOM 0 HB2 PRO A 21 23.714 1.494 19.330 1.00 25.00 H new ATOM 0 HB3 PRO A 21 24.543 0.715 20.663 1.00 25.00 H new ATOM 0 HG2 PRO A 21 25.676 1.595 17.997 1.00 25.00 H new ATOM 0 HG3 PRO A 21 26.308 1.900 19.603 1.00 25.00 H new ATOM 0 HD2 PRO A 21 27.303 -0.098 18.108 1.00 25.00 H new ATOM 0 HD3 PRO A 21 27.135 -0.289 19.842 1.00 25.00 H new ATOM 322 N ASP A 22 24.004 -0.553 16.538 1.00 25.00 N ATOM 323 CA ASP A 22 23.309 -0.443 15.272 1.00 25.00 C ATOM 324 C ASP A 22 22.874 -1.810 14.796 1.00 25.00 C ATOM 325 O ASP A 22 22.224 -1.924 13.796 1.00 25.00 O ATOM 326 CB ASP A 22 24.245 0.161 14.220 1.00 25.00 C ATOM 327 CG ASP A 22 23.575 1.245 13.391 1.00 25.00 C ATOM 328 OD1 ASP A 22 23.965 1.412 12.217 1.00 25.00 O ATOM 329 OD2 ASP A 22 22.651 1.917 13.898 1.00 25.00 O ATOM 0 H ASP A 22 25.010 -0.698 16.456 1.00 25.00 H new ATOM 0 HA ASP A 22 22.436 0.194 15.411 1.00 25.00 H new ATOM 0 HB2 ASP A 22 25.121 0.578 14.716 1.00 25.00 H new ATOM 0 HB3 ASP A 22 24.600 -0.629 13.559 1.00 25.00 H new ATOM 334 N GLU A 23 23.299 -2.859 15.485 1.00 25.00 N ATOM 335 CA GLU A 23 23.085 -4.229 15.025 1.00 25.00 C ATOM 336 C GLU A 23 21.815 -4.857 15.622 1.00 25.00 C ATOM 337 O GLU A 23 21.408 -4.530 16.737 1.00 25.00 O ATOM 338 CB GLU A 23 24.322 -5.065 15.389 1.00 25.00 C ATOM 339 CG GLU A 23 24.386 -6.421 14.710 1.00 25.00 C ATOM 340 CD GLU A 23 25.649 -7.197 15.037 1.00 25.00 C ATOM 341 OE1 GLU A 23 25.898 -8.207 14.342 1.00 25.00 O ATOM 342 OE2 GLU A 23 26.355 -6.869 16.020 1.00 25.00 O ATOM 0 H GLU A 23 23.798 -2.789 16.372 1.00 25.00 H new ATOM 0 HA GLU A 23 22.941 -4.212 13.945 1.00 25.00 H new ATOM 0 HB2 GLU A 23 25.217 -4.500 15.129 1.00 25.00 H new ATOM 0 HB3 GLU A 23 24.341 -5.212 16.469 1.00 25.00 H new ATOM 0 HG2 GLU A 23 23.519 -7.010 15.008 1.00 25.00 H new ATOM 0 HG3 GLU A 23 24.322 -6.283 13.631 1.00 25.00 H new ATOM 349 N LEU A 24 21.198 -5.769 14.880 1.00 25.00 N ATOM 350 CA LEU A 24 20.023 -6.499 15.372 1.00 25.00 C ATOM 351 C LEU A 24 20.386 -7.858 15.950 1.00 25.00 C ATOM 352 O LEU A 24 21.245 -8.569 15.433 1.00 25.00 O ATOM 353 CB LEU A 24 19.008 -6.728 14.253 1.00 25.00 C ATOM 354 CG LEU A 24 18.268 -5.486 13.749 1.00 25.00 C ATOM 355 CD1 LEU A 24 17.349 -5.872 12.605 1.00 25.00 C ATOM 356 CD2 LEU A 24 17.465 -4.829 14.874 1.00 25.00 C ATOM 0 H LEU A 24 21.487 -6.024 13.936 1.00 25.00 H new ATOM 0 HA LEU A 24 19.595 -5.875 16.157 1.00 25.00 H new ATOM 0 HB2 LEU A 24 19.525 -7.185 13.409 1.00 25.00 H new ATOM 0 HB3 LEU A 24 18.269 -7.449 14.603 1.00 25.00 H new ATOM 0 HG LEU A 24 19.003 -4.763 13.396 1.00 25.00 H new ATOM 0 HD11 LEU A 24 16.823 -4.987 12.247 1.00 25.00 H new ATOM 0 HD12 LEU A 24 17.938 -6.297 11.793 1.00 25.00 H new ATOM 0 HD13 LEU A 24 16.625 -6.609 12.953 1.00 25.00 H new ATOM 0 HD21 LEU A 24 16.950 -3.950 14.488 1.00 25.00 H new ATOM 0 HD22 LEU A 24 16.733 -5.538 15.260 1.00 25.00 H new ATOM 0 HD23 LEU A 24 18.140 -4.531 15.676 1.00 25.00 H new ATOM 368 N SER A 25 19.666 -8.237 16.994 1.00 25.00 N ATOM 369 CA SER A 25 19.828 -9.527 17.635 1.00 25.00 C ATOM 370 C SER A 25 18.604 -10.374 17.328 1.00 25.00 C ATOM 371 O SER A 25 17.469 -9.929 17.474 1.00 25.00 O ATOM 372 CB SER A 25 19.980 -9.332 19.141 1.00 25.00 C ATOM 373 OG SER A 25 19.270 -8.176 19.561 1.00 25.00 O ATOM 0 H SER A 25 18.948 -7.652 17.422 1.00 25.00 H new ATOM 0 HA SER A 25 20.720 -10.029 17.261 1.00 25.00 H new ATOM 0 HB2 SER A 25 19.605 -10.209 19.668 1.00 25.00 H new ATOM 0 HB3 SER A 25 21.035 -9.233 19.397 1.00 25.00 H new ATOM 0 HG SER A 25 19.373 -8.062 20.529 1.00 25.00 H new ATOM 379 N PHE A 26 18.854 -11.586 16.865 1.00 25.00 N ATOM 380 CA PHE A 26 17.792 -12.525 16.475 1.00 25.00 C ATOM 381 C PHE A 26 18.275 -13.965 16.591 1.00 25.00 C ATOM 382 O PHE A 26 19.457 -14.212 16.825 1.00 25.00 O ATOM 383 CB PHE A 26 17.341 -12.244 15.040 1.00 25.00 C ATOM 384 CG PHE A 26 18.466 -12.182 14.053 1.00 25.00 C ATOM 385 CD1 PHE A 26 19.076 -13.358 13.572 1.00 25.00 C ATOM 386 CD2 PHE A 26 18.910 -10.937 13.573 1.00 25.00 C ATOM 387 CE1 PHE A 26 20.112 -13.291 12.615 1.00 25.00 C ATOM 388 CE2 PHE A 26 19.933 -10.864 12.614 1.00 25.00 C ATOM 389 CZ PHE A 26 20.531 -12.050 12.127 1.00 25.00 C ATOM 0 H PHE A 26 19.797 -11.957 16.745 1.00 25.00 H new ATOM 0 HA PHE A 26 16.948 -12.386 17.151 1.00 25.00 H new ATOM 0 HB2 PHE A 26 16.641 -13.020 14.731 1.00 25.00 H new ATOM 0 HB3 PHE A 26 16.799 -11.299 15.018 1.00 25.00 H new ATOM 0 HD1 PHE A 26 18.748 -14.319 13.939 1.00 25.00 H new ATOM 0 HD2 PHE A 26 18.460 -10.029 13.945 1.00 25.00 H new ATOM 0 HE1 PHE A 26 20.580 -14.197 12.261 1.00 25.00 H new ATOM 0 HE2 PHE A 26 20.263 -9.903 12.248 1.00 25.00 H new ATOM 0 HZ PHE A 26 21.309 -11.997 11.380 1.00 25.00 H new ATOM 399 N ARG A 27 17.370 -14.922 16.415 1.00 25.00 N ATOM 400 CA ARG A 27 17.706 -16.341 16.508 1.00 25.00 C ATOM 401 C ARG A 27 17.682 -16.964 15.106 1.00 25.00 C ATOM 402 O ARG A 27 17.059 -16.438 14.206 1.00 25.00 O ATOM 403 CB ARG A 27 16.692 -17.016 17.452 1.00 25.00 C ATOM 404 CG ARG A 27 16.994 -18.467 17.834 1.00 25.00 C ATOM 405 CD ARG A 27 18.242 -18.612 18.722 1.00 25.00 C ATOM 406 NE ARG A 27 17.974 -18.263 20.128 1.00 25.00 N ATOM 407 CZ ARG A 27 18.895 -18.199 21.088 1.00 25.00 C ATOM 408 NH1 ARG A 27 20.168 -18.416 20.862 1.00 25.00 N ATOM 409 NH2 ARG A 27 18.520 -17.911 22.304 1.00 25.00 N ATOM 0 H ARG A 27 16.389 -14.739 16.205 1.00 25.00 H new ATOM 0 HA ARG A 27 18.708 -16.482 16.913 1.00 25.00 H new ATOM 0 HB2 ARG A 27 16.628 -16.426 18.366 1.00 25.00 H new ATOM 0 HB3 ARG A 27 15.709 -16.982 16.982 1.00 25.00 H new ATOM 0 HG2 ARG A 27 16.134 -18.885 18.356 1.00 25.00 H new ATOM 0 HG3 ARG A 27 17.132 -19.054 16.926 1.00 25.00 H new ATOM 0 HD2 ARG A 27 18.606 -19.638 18.668 1.00 25.00 H new ATOM 0 HD3 ARG A 27 19.035 -17.972 18.336 1.00 25.00 H new ATOM 0 HE ARG A 27 17.009 -18.054 20.386 1.00 25.00 H new ATOM 0 HH11 ARG A 27 20.487 -18.644 19.921 1.00 25.00 H new ATOM 0 HH12 ARG A 27 20.839 -18.356 21.628 1.00 25.00 H new ATOM 0 HH21 ARG A 27 17.535 -17.739 22.507 1.00 25.00 H new ATOM 0 HH22 ARG A 27 19.212 -17.858 23.052 1.00 25.00 H new ATOM 423 N LYS A 28 18.342 -18.095 14.926 1.00 25.00 N ATOM 424 CA LYS A 28 18.273 -18.840 13.672 1.00 25.00 C ATOM 425 C LYS A 28 16.812 -19.145 13.362 1.00 25.00 C ATOM 426 O LYS A 28 16.073 -19.607 14.224 1.00 25.00 O ATOM 427 CB LYS A 28 19.054 -20.147 13.836 1.00 25.00 C ATOM 428 CG LYS A 28 18.963 -21.096 12.660 1.00 25.00 C ATOM 429 CD LYS A 28 19.880 -22.289 12.892 1.00 25.00 C ATOM 430 CE LYS A 28 19.897 -23.242 11.709 1.00 25.00 C ATOM 431 NZ LYS A 28 21.293 -23.358 11.204 1.00 25.00 N ATOM 0 H LYS A 28 18.937 -18.523 15.635 1.00 25.00 H new ATOM 0 HA LYS A 28 18.702 -18.259 12.856 1.00 25.00 H new ATOM 0 HB2 LYS A 28 20.103 -19.907 14.010 1.00 25.00 H new ATOM 0 HB3 LYS A 28 18.692 -20.660 14.727 1.00 25.00 H new ATOM 0 HG2 LYS A 28 17.935 -21.435 12.532 1.00 25.00 H new ATOM 0 HG3 LYS A 28 19.245 -20.581 11.742 1.00 25.00 H new ATOM 0 HD2 LYS A 28 20.893 -21.934 13.084 1.00 25.00 H new ATOM 0 HD3 LYS A 28 19.556 -22.826 13.783 1.00 25.00 H new ATOM 0 HE2 LYS A 28 19.522 -24.221 12.008 1.00 25.00 H new ATOM 0 HE3 LYS A 28 19.240 -22.876 10.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 21.322 -24.035 10.415 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 21.621 -22.428 10.875 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 21.912 -23.693 11.969 1.00 25.00 H new ATOM 445 N GLY A 29 16.417 -18.890 12.126 1.00 25.00 N ATOM 446 CA GLY A 29 15.061 -19.151 11.683 1.00 25.00 C ATOM 447 C GLY A 29 14.166 -17.930 11.706 1.00 25.00 C ATOM 448 O GLY A 29 13.054 -17.991 11.178 1.00 25.00 O ATOM 0 H GLY A 29 17.025 -18.498 11.406 1.00 25.00 H new ATOM 0 HA2 GLY A 29 15.090 -19.550 10.669 1.00 25.00 H new ATOM 0 HA3 GLY A 29 14.624 -19.923 12.317 1.00 25.00 H new ATOM 452 N ASP A 30 14.640 -16.830 12.279 1.00 25.00 N ATOM 453 CA ASP A 30 13.845 -15.602 12.371 1.00 25.00 C ATOM 454 C ASP A 30 13.684 -14.979 11.005 1.00 25.00 C ATOM 455 O ASP A 30 14.473 -15.265 10.095 1.00 25.00 O ATOM 456 CB ASP A 30 14.522 -14.576 13.278 1.00 25.00 C ATOM 457 CG ASP A 30 13.591 -14.021 14.309 1.00 25.00 C ATOM 458 OD1 ASP A 30 14.022 -13.885 15.477 1.00 25.00 O ATOM 459 OD2 ASP A 30 12.416 -13.766 13.971 1.00 25.00 O ATOM 0 H ASP A 30 15.571 -16.759 12.689 1.00 25.00 H new ATOM 0 HA ASP A 30 12.874 -15.874 12.784 1.00 25.00 H new ATOM 0 HB2 ASP A 30 15.374 -15.041 13.775 1.00 25.00 H new ATOM 0 HB3 ASP A 30 14.914 -13.761 12.670 1.00 25.00 H new ATOM 464 N ILE A 31 12.697 -14.105 10.872 1.00 25.00 N ATOM 465 CA ILE A 31 12.451 -13.397 9.621 1.00 25.00 C ATOM 466 C ILE A 31 12.539 -11.906 9.883 1.00 25.00 C ATOM 467 O ILE A 31 11.827 -11.379 10.729 1.00 25.00 O ATOM 468 CB ILE A 31 11.041 -13.701 9.034 1.00 25.00 C ATOM 469 CG1 ILE A 31 10.878 -15.203 8.732 1.00 25.00 C ATOM 470 CG2 ILE A 31 10.805 -12.875 7.740 1.00 25.00 C ATOM 471 CD1 ILE A 31 11.905 -15.793 7.766 1.00 25.00 C ATOM 0 H ILE A 31 12.047 -13.867 11.621 1.00 25.00 H new ATOM 0 HA ILE A 31 13.199 -13.730 8.901 1.00 25.00 H new ATOM 0 HB ILE A 31 10.299 -13.417 9.781 1.00 25.00 H new ATOM 0 HG12 ILE A 31 10.930 -15.753 9.672 1.00 25.00 H new ATOM 0 HG13 ILE A 31 9.882 -15.368 8.321 1.00 25.00 H new ATOM 0 HG21 ILE A 31 9.815 -13.098 7.341 1.00 25.00 H new ATOM 0 HG22 ILE A 31 10.872 -11.812 7.970 1.00 25.00 H new ATOM 0 HG23 ILE A 31 11.561 -13.135 6.999 1.00 25.00 H new ATOM 0 HD11 ILE A 31 11.701 -16.854 7.622 1.00 25.00 H new ATOM 0 HD12 ILE A 31 11.841 -15.278 6.808 1.00 25.00 H new ATOM 0 HD13 ILE A 31 12.906 -15.669 8.179 1.00 25.00 H new ATOM 483 N MET A 32 13.379 -11.225 9.124 1.00 25.00 N ATOM 484 CA MET A 32 13.496 -9.776 9.218 1.00 25.00 C ATOM 485 C MET A 32 13.303 -9.170 7.850 1.00 25.00 C ATOM 486 O MET A 32 13.534 -9.816 6.822 1.00 25.00 O ATOM 487 CB MET A 32 14.851 -9.372 9.792 1.00 25.00 C ATOM 488 CG MET A 32 16.045 -9.929 9.046 1.00 25.00 C ATOM 489 SD MET A 32 17.329 -10.368 10.217 1.00 25.00 S ATOM 490 CE MET A 32 16.608 -11.877 10.948 1.00 25.00 C ATOM 0 H MET A 32 13.994 -11.652 8.432 1.00 25.00 H new ATOM 0 HA MET A 32 12.725 -9.404 9.893 1.00 25.00 H new ATOM 0 HB2 MET A 32 14.918 -8.284 9.798 1.00 25.00 H new ATOM 0 HB3 MET A 32 14.903 -9.700 10.830 1.00 25.00 H new ATOM 0 HG2 MET A 32 15.750 -10.805 8.468 1.00 25.00 H new ATOM 0 HG3 MET A 32 16.421 -9.191 8.337 1.00 25.00 H new ATOM 0 HE1 MET A 32 16.558 -11.768 12.031 1.00 25.00 H new ATOM 0 HE2 MET A 32 15.604 -12.029 10.552 1.00 25.00 H new ATOM 0 HE3 MET A 32 17.231 -12.736 10.698 1.00 25.00 H new ATOM 500 N THR A 33 12.858 -7.931 7.851 1.00 25.00 N ATOM 501 CA THR A 33 12.603 -7.195 6.616 1.00 25.00 C ATOM 502 C THR A 33 13.872 -6.493 6.174 1.00 25.00 C ATOM 503 O THR A 33 14.316 -5.590 6.852 1.00 25.00 O ATOM 504 CB THR A 33 11.517 -6.128 6.839 1.00 25.00 C ATOM 505 OG1 THR A 33 10.320 -6.763 7.291 1.00 25.00 O ATOM 506 CG2 THR A 33 11.213 -5.370 5.572 1.00 25.00 C ATOM 0 H THR A 33 12.661 -7.402 8.700 1.00 25.00 H new ATOM 0 HA THR A 33 12.271 -7.903 5.857 1.00 25.00 H new ATOM 0 HB THR A 33 11.888 -5.422 7.582 1.00 25.00 H new ATOM 0 HG1 THR A 33 9.626 -6.087 7.436 1.00 25.00 H new ATOM 0 HG21 THR A 33 10.442 -4.626 5.770 1.00 25.00 H new ATOM 0 HG22 THR A 33 12.116 -4.872 5.220 1.00 25.00 H new ATOM 0 HG23 THR A 33 10.861 -6.064 4.809 1.00 25.00 H new ATOM 514 N VAL A 34 14.454 -6.888 5.052 1.00 25.00 N ATOM 515 CA VAL A 34 15.660 -6.235 4.545 1.00 25.00 C ATOM 516 C VAL A 34 15.254 -4.976 3.826 1.00 25.00 C ATOM 517 O VAL A 34 14.466 -5.002 2.876 1.00 25.00 O ATOM 518 CB VAL A 34 16.469 -7.123 3.590 1.00 25.00 C ATOM 519 CG1 VAL A 34 17.793 -6.458 3.197 1.00 25.00 C ATOM 520 CG2 VAL A 34 16.725 -8.460 4.243 1.00 25.00 C ATOM 0 H VAL A 34 14.114 -7.656 4.473 1.00 25.00 H new ATOM 0 HA VAL A 34 16.303 -6.021 5.399 1.00 25.00 H new ATOM 0 HB VAL A 34 15.891 -7.268 2.678 1.00 25.00 H new ATOM 0 HG11 VAL A 34 18.342 -7.113 2.520 1.00 25.00 H new ATOM 0 HG12 VAL A 34 17.590 -5.510 2.700 1.00 25.00 H new ATOM 0 HG13 VAL A 34 18.389 -6.278 4.091 1.00 25.00 H new ATOM 0 HG21 VAL A 34 17.300 -9.092 3.566 1.00 25.00 H new ATOM 0 HG22 VAL A 34 17.286 -8.313 5.166 1.00 25.00 H new ATOM 0 HG23 VAL A 34 15.774 -8.942 4.470 1.00 25.00 H new ATOM 530 N LEU A 35 15.780 -3.871 4.308 1.00 25.00 N ATOM 531 CA LEU A 35 15.468 -2.567 3.782 1.00 25.00 C ATOM 532 C LEU A 35 16.495 -2.197 2.731 1.00 25.00 C ATOM 533 O LEU A 35 16.141 -1.802 1.634 1.00 25.00 O ATOM 534 CB LEU A 35 15.473 -1.565 4.925 1.00 25.00 C ATOM 535 CG LEU A 35 14.436 -1.874 6.015 1.00 25.00 C ATOM 536 CD1 LEU A 35 14.673 -0.951 7.162 1.00 25.00 C ATOM 537 CD2 LEU A 35 13.002 -1.733 5.511 1.00 25.00 C ATOM 0 H LEU A 35 16.442 -3.856 5.084 1.00 25.00 H new ATOM 0 HA LEU A 35 14.482 -2.565 3.317 1.00 25.00 H new ATOM 0 HB2 LEU A 35 16.466 -1.544 5.375 1.00 25.00 H new ATOM 0 HB3 LEU A 35 15.283 -0.569 4.525 1.00 25.00 H new ATOM 0 HG LEU A 35 14.556 -2.913 6.323 1.00 25.00 H new ATOM 0 HD11 LEU A 35 13.946 -1.154 7.948 1.00 25.00 H new ATOM 0 HD12 LEU A 35 15.680 -1.104 7.550 1.00 25.00 H new ATOM 0 HD13 LEU A 35 14.566 0.081 6.827 1.00 25.00 H new ATOM 0 HD21 LEU A 35 12.308 -1.962 6.320 1.00 25.00 H new ATOM 0 HD22 LEU A 35 12.836 -0.712 5.168 1.00 25.00 H new ATOM 0 HD23 LEU A 35 12.837 -2.424 4.685 1.00 25.00 H new ATOM 549 N GLU A 36 17.762 -2.415 3.025 1.00 25.00 N ATOM 550 CA GLU A 36 18.802 -2.236 2.016 1.00 25.00 C ATOM 551 C GLU A 36 19.970 -3.136 2.357 1.00 25.00 C ATOM 552 O GLU A 36 19.994 -3.734 3.426 1.00 25.00 O ATOM 553 CB GLU A 36 19.229 -0.766 1.892 1.00 25.00 C ATOM 554 CG GLU A 36 20.150 -0.255 2.917 1.00 25.00 C ATOM 555 CD GLU A 36 20.273 1.258 2.870 1.00 25.00 C ATOM 556 OE1 GLU A 36 20.208 1.837 1.767 1.00 25.00 O ATOM 557 OE2 GLU A 36 20.387 1.872 3.950 1.00 25.00 O ATOM 0 H GLU A 36 18.099 -2.713 3.941 1.00 25.00 H new ATOM 0 HA GLU A 36 18.408 -2.516 1.039 1.00 25.00 H new ATOM 0 HB2 GLU A 36 19.696 -0.629 0.917 1.00 25.00 H new ATOM 0 HB3 GLU A 36 18.331 -0.149 1.905 1.00 25.00 H new ATOM 0 HG2 GLU A 36 19.799 -0.559 3.903 1.00 25.00 H new ATOM 0 HG3 GLU A 36 21.134 -0.703 2.776 1.00 25.00 H new ATOM 564 N ARG A 37 20.930 -3.243 1.455 1.00 25.00 N ATOM 565 CA ARG A 37 22.119 -4.044 1.693 1.00 25.00 C ATOM 566 C ARG A 37 23.290 -3.125 1.491 1.00 25.00 C ATOM 567 O ARG A 37 23.172 -2.173 0.732 1.00 25.00 O ATOM 568 CB ARG A 37 22.229 -5.174 0.685 1.00 25.00 C ATOM 569 CG ARG A 37 21.055 -6.139 0.657 1.00 25.00 C ATOM 570 CD ARG A 37 21.354 -7.344 -0.256 1.00 25.00 C ATOM 571 NE ARG A 37 21.749 -6.922 -1.618 1.00 25.00 N ATOM 572 CZ ARG A 37 23.004 -6.766 -2.045 1.00 25.00 C ATOM 573 NH1 ARG A 37 24.040 -7.028 -1.291 1.00 25.00 N ATOM 574 NH2 ARG A 37 23.219 -6.315 -3.246 1.00 25.00 N ATOM 0 H ARG A 37 20.909 -2.782 0.545 1.00 25.00 H new ATOM 0 HA ARG A 37 22.084 -4.479 2.692 1.00 25.00 H new ATOM 0 HB2 ARG A 37 22.346 -4.742 -0.309 1.00 25.00 H new ATOM 0 HB3 ARG A 37 23.137 -5.739 0.896 1.00 25.00 H new ATOM 0 HG2 ARG A 37 20.842 -6.488 1.667 1.00 25.00 H new ATOM 0 HG3 ARG A 37 20.163 -5.622 0.303 1.00 25.00 H new ATOM 0 HD2 ARG A 37 22.151 -7.943 0.184 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.472 -7.982 -0.315 1.00 25.00 H new ATOM 0 HE ARG A 37 21.001 -6.735 -2.286 1.00 25.00 H new ATOM 0 HH11 ARG A 37 23.905 -7.365 -0.338 1.00 25.00 H new ATOM 0 HH12 ARG A 37 24.983 -6.895 -1.656 1.00 25.00 H new ATOM 0 HH21 ARG A 37 22.432 -6.084 -3.852 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.174 -6.192 -3.581 1.00 25.00 H new ATOM 588 N ASP A 38 24.395 -3.435 2.151 1.00 25.00 N ATOM 589 CA ASP A 38 25.655 -2.704 2.021 1.00 25.00 C ATOM 590 C ASP A 38 25.402 -1.245 2.437 1.00 25.00 C ATOM 591 O ASP A 38 25.917 -0.276 1.874 1.00 25.00 O ATOM 592 CB ASP A 38 26.220 -2.900 0.604 1.00 25.00 C ATOM 593 CG ASP A 38 26.169 -4.379 0.162 1.00 25.00 C ATOM 594 OD1 ASP A 38 25.695 -4.654 -0.971 1.00 25.00 O ATOM 595 OD2 ASP A 38 26.449 -5.280 1.007 1.00 25.00 O ATOM 0 H ASP A 38 24.447 -4.216 2.805 1.00 25.00 H new ATOM 0 HA ASP A 38 26.432 -3.083 2.684 1.00 25.00 H new ATOM 0 HB2 ASP A 38 25.653 -2.291 -0.100 1.00 25.00 H new ATOM 0 HB3 ASP A 38 27.251 -2.547 0.572 1.00 25.00 H new ATOM 600 N THR A 39 24.532 -1.137 3.432 1.00 25.00 N ATOM 601 CA THR A 39 24.038 0.133 3.961 1.00 25.00 C ATOM 602 C THR A 39 25.147 0.932 4.616 1.00 25.00 C ATOM 603 O THR A 39 26.064 0.368 5.177 1.00 25.00 O ATOM 604 CB THR A 39 22.923 -0.132 5.002 1.00 25.00 C ATOM 605 OG1 THR A 39 22.455 1.098 5.563 1.00 25.00 O ATOM 606 CG2 THR A 39 23.379 -1.045 6.105 1.00 25.00 C ATOM 0 H THR A 39 24.139 -1.949 3.908 1.00 25.00 H new ATOM 0 HA THR A 39 23.644 0.711 3.125 1.00 25.00 H new ATOM 0 HB THR A 39 22.109 -0.627 4.472 1.00 25.00 H new ATOM 0 HG1 THR A 39 21.707 1.438 5.029 1.00 25.00 H new ATOM 0 HG21 THR A 39 22.562 -1.200 6.810 1.00 25.00 H new ATOM 0 HG22 THR A 39 23.681 -2.003 5.683 1.00 25.00 H new ATOM 0 HG23 THR A 39 24.225 -0.594 6.624 1.00 25.00 H new ATOM 614 N GLN A 40 25.056 2.255 4.523 1.00 25.00 N ATOM 615 CA GLN A 40 26.046 3.188 5.088 1.00 25.00 C ATOM 616 C GLN A 40 27.468 2.965 4.558 1.00 25.00 C ATOM 617 O GLN A 40 28.432 3.466 5.121 1.00 25.00 O ATOM 618 CB GLN A 40 26.043 3.144 6.627 1.00 25.00 C ATOM 619 CG GLN A 40 24.657 3.038 7.240 1.00 25.00 C ATOM 620 CD GLN A 40 24.641 3.381 8.710 1.00 25.00 C ATOM 621 OE1 GLN A 40 24.729 4.538 9.088 1.00 25.00 O ATOM 622 NE2 GLN A 40 24.496 2.383 9.538 1.00 25.00 N ATOM 0 H GLN A 40 24.285 2.723 4.048 1.00 25.00 H new ATOM 0 HA GLN A 40 25.735 4.179 4.756 1.00 25.00 H new ATOM 0 HB2 GLN A 40 26.641 2.294 6.957 1.00 25.00 H new ATOM 0 HB3 GLN A 40 26.529 4.043 7.007 1.00 25.00 H new ATOM 0 HG2 GLN A 40 23.977 3.704 6.708 1.00 25.00 H new ATOM 0 HG3 GLN A 40 24.281 2.024 7.104 1.00 25.00 H new ATOM 0 HE21 GLN A 40 24.426 1.430 9.181 1.00 25.00 H new ATOM 0 HE22 GLN A 40 24.452 2.556 10.542 1.00 25.00 H new ATOM 631 N GLY A 41 27.590 2.203 3.477 1.00 25.00 N ATOM 632 CA GLY A 41 28.896 1.880 2.926 1.00 25.00 C ATOM 633 C GLY A 41 29.534 0.717 3.660 1.00 25.00 C ATOM 634 O GLY A 41 30.713 0.422 3.472 1.00 25.00 O ATOM 0 H GLY A 41 26.803 1.800 2.968 1.00 25.00 H new ATOM 0 HA2 GLY A 41 28.796 1.634 1.869 1.00 25.00 H new ATOM 0 HA3 GLY A 41 29.546 2.753 2.990 1.00 25.00 H new ATOM 638 N LEU A 42 28.756 0.052 4.504 1.00 25.00 N ATOM 639 CA LEU A 42 29.224 -1.078 5.274 1.00 25.00 C ATOM 640 C LEU A 42 28.956 -2.308 4.437 1.00 25.00 C ATOM 641 O LEU A 42 27.886 -2.905 4.511 1.00 25.00 O ATOM 642 CB LEU A 42 28.460 -1.146 6.594 1.00 25.00 C ATOM 643 CG LEU A 42 28.522 0.111 7.461 1.00 25.00 C ATOM 644 CD1 LEU A 42 27.493 0.001 8.554 1.00 25.00 C ATOM 645 CD2 LEU A 42 29.884 0.285 8.069 1.00 25.00 C ATOM 0 H LEU A 42 27.778 0.288 4.670 1.00 25.00 H new ATOM 0 HA LEU A 42 30.285 -0.997 5.509 1.00 25.00 H new ATOM 0 HB2 LEU A 42 27.414 -1.364 6.377 1.00 25.00 H new ATOM 0 HB3 LEU A 42 28.847 -1.984 7.174 1.00 25.00 H new ATOM 0 HG LEU A 42 28.319 0.979 6.834 1.00 25.00 H new ATOM 0 HD11 LEU A 42 27.529 0.893 9.179 1.00 25.00 H new ATOM 0 HD12 LEU A 42 26.501 -0.093 8.112 1.00 25.00 H new ATOM 0 HD13 LEU A 42 27.703 -0.878 9.164 1.00 25.00 H new ATOM 0 HD21 LEU A 42 29.897 1.187 8.680 1.00 25.00 H new ATOM 0 HD22 LEU A 42 30.117 -0.578 8.692 1.00 25.00 H new ATOM 0 HD23 LEU A 42 30.628 0.372 7.277 1.00 25.00 H new ATOM 657 N ASP A 43 29.899 -2.654 3.584 1.00 25.00 N ATOM 658 CA ASP A 43 29.701 -3.790 2.691 1.00 25.00 C ATOM 659 C ASP A 43 29.469 -5.036 3.515 1.00 25.00 C ATOM 660 O ASP A 43 30.116 -5.261 4.545 1.00 25.00 O ATOM 661 CB ASP A 43 30.901 -4.033 1.799 1.00 25.00 C ATOM 662 CG ASP A 43 30.531 -4.770 0.525 1.00 25.00 C ATOM 663 OD1 ASP A 43 30.826 -5.980 0.427 1.00 25.00 O ATOM 664 OD2 ASP A 43 29.930 -4.145 -0.373 1.00 25.00 O ATOM 0 H ASP A 43 30.796 -2.178 3.486 1.00 25.00 H new ATOM 0 HA ASP A 43 28.842 -3.562 2.060 1.00 25.00 H new ATOM 0 HB2 ASP A 43 31.360 -3.078 1.543 1.00 25.00 H new ATOM 0 HB3 ASP A 43 31.647 -4.609 2.346 1.00 25.00 H new ATOM 669 N GLY A 44 28.523 -5.840 3.081 1.00 25.00 N ATOM 670 CA GLY A 44 28.223 -7.065 3.783 1.00 25.00 C ATOM 671 C GLY A 44 27.218 -6.887 4.910 1.00 25.00 C ATOM 672 O GLY A 44 26.617 -7.869 5.350 1.00 25.00 O ATOM 0 H GLY A 44 27.954 -5.668 2.252 1.00 25.00 H new ATOM 0 HA2 GLY A 44 27.835 -7.796 3.073 1.00 25.00 H new ATOM 0 HA3 GLY A 44 29.146 -7.476 4.192 1.00 25.00 H new ATOM 676 N TRP A 45 27.004 -5.662 5.375 1.00 25.00 N ATOM 677 CA TRP A 45 26.026 -5.386 6.411 1.00 25.00 C ATOM 678 C TRP A 45 24.712 -5.020 5.738 1.00 25.00 C ATOM 679 O TRP A 45 24.676 -4.198 4.835 1.00 25.00 O ATOM 680 CB TRP A 45 26.534 -4.226 7.253 1.00 25.00 C ATOM 681 CG TRP A 45 27.598 -4.646 8.222 1.00 25.00 C ATOM 682 CD1 TRP A 45 28.931 -4.414 8.138 1.00 25.00 C ATOM 683 CD2 TRP A 45 27.414 -5.380 9.443 1.00 25.00 C ATOM 684 NE1 TRP A 45 29.599 -4.920 9.212 1.00 25.00 N ATOM 685 CE2 TRP A 45 28.697 -5.533 10.041 1.00 25.00 C ATOM 686 CE3 TRP A 45 26.292 -5.913 10.102 1.00 25.00 C ATOM 687 CZ2 TRP A 45 28.880 -6.201 11.270 1.00 25.00 C ATOM 688 CZ3 TRP A 45 26.466 -6.571 11.337 1.00 25.00 C ATOM 689 CH2 TRP A 45 27.758 -6.709 11.907 1.00 25.00 C ATOM 0 H TRP A 45 27.504 -4.837 5.043 1.00 25.00 H new ATOM 0 HA TRP A 45 25.872 -6.253 7.054 1.00 25.00 H new ATOM 0 HB2 TRP A 45 26.929 -3.450 6.597 1.00 25.00 H new ATOM 0 HB3 TRP A 45 25.701 -3.786 7.801 1.00 25.00 H new ATOM 0 HD1 TRP A 45 29.405 -3.892 7.320 1.00 25.00 H new ATOM 0 HE1 TRP A 45 30.604 -4.853 9.372 1.00 25.00 H new ATOM 0 HE3 TRP A 45 25.308 -5.819 9.667 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 29.864 -6.313 11.701 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 25.608 -6.974 11.854 1.00 25.00 H new ATOM 0 HH2 TRP A 45 27.869 -7.218 12.853 1.00 25.00 H new ATOM 700 N TRP A 46 23.627 -5.652 6.150 1.00 25.00 N ATOM 701 CA TRP A 46 22.324 -5.423 5.528 1.00 25.00 C ATOM 702 C TRP A 46 21.405 -4.744 6.529 1.00 25.00 C ATOM 703 O TRP A 46 21.242 -5.226 7.642 1.00 25.00 O ATOM 704 CB TRP A 46 21.713 -6.755 5.060 1.00 25.00 C ATOM 705 CG TRP A 46 22.520 -7.463 3.974 1.00 25.00 C ATOM 706 CD1 TRP A 46 23.673 -7.042 3.385 1.00 25.00 C ATOM 707 CD2 TRP A 46 22.231 -8.739 3.360 1.00 25.00 C ATOM 708 NE1 TRP A 46 24.127 -7.929 2.461 1.00 25.00 N ATOM 709 CE2 TRP A 46 23.274 -8.997 2.417 1.00 25.00 C ATOM 710 CE3 TRP A 46 21.197 -9.692 3.506 1.00 25.00 C ATOM 711 CZ2 TRP A 46 23.301 -10.165 1.626 1.00 25.00 C ATOM 712 CZ3 TRP A 46 21.235 -10.873 2.724 1.00 25.00 C ATOM 713 CH2 TRP A 46 22.282 -11.091 1.787 1.00 25.00 C ATOM 0 H TRP A 46 23.617 -6.329 6.913 1.00 25.00 H new ATOM 0 HA TRP A 46 22.448 -4.780 4.657 1.00 25.00 H new ATOM 0 HB2 TRP A 46 21.617 -7.420 5.918 1.00 25.00 H new ATOM 0 HB3 TRP A 46 20.706 -6.569 4.687 1.00 25.00 H new ATOM 0 HD1 TRP A 46 24.168 -6.113 3.624 1.00 25.00 H new ATOM 0 HE1 TRP A 46 24.967 -7.817 1.893 1.00 25.00 H new ATOM 0 HE3 TRP A 46 20.390 -9.522 4.203 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 24.095 -10.333 0.914 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 20.460 -11.616 2.841 1.00 25.00 H new ATOM 0 HH2 TRP A 46 22.283 -11.992 1.191 1.00 25.00 H new ATOM 724 N LEU A 47 20.812 -3.628 6.138 1.00 25.00 N ATOM 725 CA LEU A 47 19.880 -2.912 6.996 1.00 25.00 C ATOM 726 C LEU A 47 18.591 -3.688 6.996 1.00 25.00 C ATOM 727 O LEU A 47 17.991 -3.885 5.945 1.00 25.00 O ATOM 728 CB LEU A 47 19.612 -1.508 6.453 1.00 25.00 C ATOM 729 CG LEU A 47 18.616 -0.647 7.243 1.00 25.00 C ATOM 730 CD1 LEU A 47 19.053 -0.460 8.691 1.00 25.00 C ATOM 731 CD2 LEU A 47 18.462 0.708 6.565 1.00 25.00 C ATOM 0 H LEU A 47 20.960 -3.195 5.226 1.00 25.00 H new ATOM 0 HA LEU A 47 20.296 -2.817 7.999 1.00 25.00 H new ATOM 0 HB2 LEU A 47 20.561 -0.974 6.404 1.00 25.00 H new ATOM 0 HB3 LEU A 47 19.246 -1.602 5.431 1.00 25.00 H new ATOM 0 HG LEU A 47 17.657 -1.166 7.254 1.00 25.00 H new ATOM 0 HD11 LEU A 47 18.321 0.155 9.215 1.00 25.00 H new ATOM 0 HD12 LEU A 47 19.125 -1.433 9.178 1.00 25.00 H new ATOM 0 HD13 LEU A 47 20.025 0.032 8.717 1.00 25.00 H new ATOM 0 HD21 LEU A 47 17.755 1.318 7.127 1.00 25.00 H new ATOM 0 HD22 LEU A 47 19.429 1.211 6.533 1.00 25.00 H new ATOM 0 HD23 LEU A 47 18.092 0.567 5.549 1.00 25.00 H new ATOM 743 N CYS A 48 18.161 -4.130 8.160 1.00 25.00 N ATOM 744 CA CYS A 48 16.922 -4.864 8.274 1.00 25.00 C ATOM 745 C CYS A 48 16.096 -4.329 9.418 1.00 25.00 C ATOM 746 O CYS A 48 16.563 -3.520 10.212 1.00 25.00 O ATOM 747 CB CYS A 48 17.199 -6.361 8.479 1.00 25.00 C ATOM 748 SG CYS A 48 18.470 -7.031 7.374 1.00 25.00 S ATOM 0 H CYS A 48 18.655 -3.992 9.042 1.00 25.00 H new ATOM 0 HA CYS A 48 16.362 -4.736 7.347 1.00 25.00 H new ATOM 0 HB2 CYS A 48 17.506 -6.526 9.512 1.00 25.00 H new ATOM 0 HB3 CYS A 48 16.273 -6.916 8.330 1.00 25.00 H new ATOM 0 HG CYS A 48 19.567 -6.348 7.510 1.00 25.00 H new ATOM 754 N SER A 49 14.868 -4.802 9.500 1.00 25.00 N ATOM 755 CA SER A 49 13.969 -4.440 10.574 1.00 25.00 C ATOM 756 C SER A 49 13.386 -5.717 11.162 1.00 25.00 C ATOM 757 O SER A 49 12.896 -6.582 10.428 1.00 25.00 O ATOM 758 CB SER A 49 12.884 -3.506 10.045 1.00 25.00 C ATOM 759 OG SER A 49 11.613 -4.135 9.991 1.00 25.00 O ATOM 0 H SER A 49 14.466 -5.449 8.822 1.00 25.00 H new ATOM 0 HA SER A 49 14.499 -3.905 11.362 1.00 25.00 H new ATOM 0 HB2 SER A 49 12.824 -2.624 10.683 1.00 25.00 H new ATOM 0 HB3 SER A 49 13.159 -3.161 9.048 1.00 25.00 H new ATOM 0 HG SER A 49 10.949 -3.501 9.648 1.00 25.00 H new ATOM 765 N LEU A 50 13.482 -5.847 12.477 1.00 25.00 N ATOM 766 CA LEU A 50 12.989 -7.016 13.202 1.00 25.00 C ATOM 767 C LEU A 50 12.367 -6.509 14.491 1.00 25.00 C ATOM 768 O LEU A 50 12.947 -5.656 15.146 1.00 25.00 O ATOM 769 CB LEU A 50 14.150 -7.958 13.534 1.00 25.00 C ATOM 770 CG LEU A 50 13.733 -9.251 14.247 1.00 25.00 C ATOM 771 CD1 LEU A 50 13.802 -10.414 13.317 1.00 25.00 C ATOM 772 CD2 LEU A 50 14.612 -9.483 15.463 1.00 25.00 C ATOM 0 H LEU A 50 13.907 -5.141 13.078 1.00 25.00 H new ATOM 0 HA LEU A 50 12.264 -7.564 12.600 1.00 25.00 H new ATOM 0 HB2 LEU A 50 14.667 -8.217 12.610 1.00 25.00 H new ATOM 0 HB3 LEU A 50 14.866 -7.426 14.161 1.00 25.00 H new ATOM 0 HG LEU A 50 12.700 -9.147 14.578 1.00 25.00 H new ATOM 0 HD11 LEU A 50 13.502 -11.320 13.844 1.00 25.00 H new ATOM 0 HD12 LEU A 50 13.132 -10.246 12.474 1.00 25.00 H new ATOM 0 HD13 LEU A 50 14.823 -10.528 12.952 1.00 25.00 H new ATOM 0 HD21 LEU A 50 14.308 -10.403 15.962 1.00 25.00 H new ATOM 0 HD22 LEU A 50 15.652 -9.567 15.149 1.00 25.00 H new ATOM 0 HD23 LEU A 50 14.508 -8.645 16.152 1.00 25.00 H new ATOM 784 N HIS A 51 11.171 -6.993 14.816 1.00 25.00 N ATOM 785 CA HIS A 51 10.428 -6.569 16.020 1.00 25.00 C ATOM 786 C HIS A 51 10.216 -5.046 16.062 1.00 25.00 C ATOM 787 O HIS A 51 10.132 -4.451 17.130 1.00 25.00 O ATOM 788 CB HIS A 51 11.158 -7.015 17.305 1.00 25.00 C ATOM 789 CG HIS A 51 11.370 -8.496 17.407 1.00 25.00 C ATOM 790 ND1 HIS A 51 12.292 -9.085 18.235 1.00 25.00 N ATOM 791 CD2 HIS A 51 10.758 -9.533 16.770 1.00 25.00 C ATOM 792 CE1 HIS A 51 12.209 -10.402 18.080 1.00 25.00 C ATOM 793 NE2 HIS A 51 11.284 -10.730 17.203 1.00 25.00 N ATOM 0 H HIS A 51 10.681 -7.692 14.257 1.00 25.00 H new ATOM 0 HA HIS A 51 9.452 -7.051 15.968 1.00 25.00 H new ATOM 0 HB2 HIS A 51 12.126 -6.516 17.352 1.00 25.00 H new ATOM 0 HB3 HIS A 51 10.585 -6.681 18.170 1.00 25.00 H new ATOM 0 HD2 HIS A 51 9.975 -9.431 16.033 1.00 25.00 H new ATOM 0 HE1 HIS A 51 12.824 -11.115 18.608 1.00 25.00 H new ATOM 0 HE2 HIS A 51 11.015 -11.668 16.908 1.00 25.00 H new ATOM 801 N GLY A 52 10.140 -4.416 14.894 1.00 25.00 N ATOM 802 CA GLY A 52 9.955 -2.970 14.828 1.00 25.00 C ATOM 803 C GLY A 52 11.217 -2.170 15.113 1.00 25.00 C ATOM 804 O GLY A 52 11.171 -0.947 15.206 1.00 25.00 O ATOM 0 H GLY A 52 10.203 -4.879 13.987 1.00 25.00 H new ATOM 0 HA2 GLY A 52 9.586 -2.706 13.837 1.00 25.00 H new ATOM 0 HA3 GLY A 52 9.184 -2.680 15.542 1.00 25.00 H new ATOM 808 N ARG A 53 12.350 -2.849 15.239 1.00 25.00 N ATOM 809 CA ARG A 53 13.630 -2.208 15.509 1.00 25.00 C ATOM 810 C ARG A 53 14.425 -2.349 14.237 1.00 25.00 C ATOM 811 O ARG A 53 14.415 -3.402 13.618 1.00 25.00 O ATOM 812 CB ARG A 53 14.336 -2.932 16.662 1.00 25.00 C ATOM 813 CG ARG A 53 15.200 -2.049 17.569 1.00 25.00 C ATOM 814 CD ARG A 53 16.551 -1.709 16.953 1.00 25.00 C ATOM 815 NE ARG A 53 17.523 -1.323 17.987 1.00 25.00 N ATOM 816 CZ ARG A 53 18.795 -0.997 17.765 1.00 25.00 C ATOM 817 NH1 ARG A 53 19.324 -0.948 16.571 1.00 25.00 N ATOM 818 NH2 ARG A 53 19.551 -0.711 18.782 1.00 25.00 N ATOM 0 H ARG A 53 12.407 -3.864 15.156 1.00 25.00 H new ATOM 0 HA ARG A 53 13.516 -1.163 15.798 1.00 25.00 H new ATOM 0 HB2 ARG A 53 13.581 -3.423 17.276 1.00 25.00 H new ATOM 0 HB3 ARG A 53 14.966 -3.717 16.243 1.00 25.00 H new ATOM 0 HG2 ARG A 53 14.663 -1.126 17.787 1.00 25.00 H new ATOM 0 HG3 ARG A 53 15.358 -2.558 18.520 1.00 25.00 H new ATOM 0 HD2 ARG A 53 16.928 -2.568 16.398 1.00 25.00 H new ATOM 0 HD3 ARG A 53 16.433 -0.895 16.238 1.00 25.00 H new ATOM 0 HE ARG A 53 17.196 -1.303 18.953 1.00 25.00 H new ATOM 0 HH11 ARG A 53 18.756 -1.166 15.752 1.00 25.00 H new ATOM 0 HH12 ARG A 53 20.305 -0.692 16.458 1.00 25.00 H new ATOM 0 HH21 ARG A 53 19.167 -0.739 19.727 1.00 25.00 H new ATOM 0 HH22 ARG A 53 20.528 -0.459 18.636 1.00 25.00 H new ATOM 832 N GLN A 54 15.100 -1.290 13.844 1.00 25.00 N ATOM 833 CA GLN A 54 15.913 -1.305 12.632 1.00 25.00 C ATOM 834 C GLN A 54 17.375 -1.437 13.014 1.00 25.00 C ATOM 835 O GLN A 54 17.779 -0.962 14.072 1.00 25.00 O ATOM 836 CB GLN A 54 15.699 -0.011 11.852 1.00 25.00 C ATOM 837 CG GLN A 54 14.928 -0.206 10.574 1.00 25.00 C ATOM 838 CD GLN A 54 14.693 1.095 9.827 1.00 25.00 C ATOM 839 OE1 GLN A 54 13.571 1.419 9.471 1.00 25.00 O ATOM 840 NE2 GLN A 54 15.744 1.834 9.576 1.00 25.00 N ATOM 0 H GLN A 54 15.106 -0.401 14.344 1.00 25.00 H new ATOM 0 HA GLN A 54 15.621 -2.149 12.007 1.00 25.00 H new ATOM 0 HB2 GLN A 54 15.168 0.702 12.483 1.00 25.00 H new ATOM 0 HB3 GLN A 54 16.669 0.429 11.620 1.00 25.00 H new ATOM 0 HG2 GLN A 54 15.470 -0.898 9.929 1.00 25.00 H new ATOM 0 HG3 GLN A 54 13.967 -0.669 10.801 1.00 25.00 H new ATOM 0 HE21 GLN A 54 16.667 1.532 9.889 1.00 25.00 H new ATOM 0 HE22 GLN A 54 15.640 2.712 9.068 1.00 25.00 H new ATOM 849 N GLY A 55 18.164 -2.069 12.162 1.00 25.00 N ATOM 850 CA GLY A 55 19.586 -2.192 12.416 1.00 25.00 C ATOM 851 C GLY A 55 20.293 -3.014 11.363 1.00 25.00 C ATOM 852 O GLY A 55 19.641 -3.612 10.504 1.00 25.00 O ATOM 0 H GLY A 55 17.846 -2.502 11.295 1.00 25.00 H new ATOM 0 HA2 GLY A 55 20.032 -1.198 12.456 1.00 25.00 H new ATOM 0 HA3 GLY A 55 19.739 -2.650 13.393 1.00 25.00 H new ATOM 856 N ILE A 56 21.615 -3.033 11.406 1.00 25.00 N ATOM 857 CA ILE A 56 22.413 -3.781 10.441 1.00 25.00 C ATOM 858 C ILE A 56 22.524 -5.239 10.884 1.00 25.00 C ATOM 859 O ILE A 56 22.356 -5.573 12.059 1.00 25.00 O ATOM 860 CB ILE A 56 23.825 -3.144 10.250 1.00 25.00 C ATOM 861 CG1 ILE A 56 24.641 -3.240 11.555 1.00 25.00 C ATOM 862 CG2 ILE A 56 23.668 -1.663 9.843 1.00 25.00 C ATOM 863 CD1 ILE A 56 26.023 -2.629 11.479 1.00 25.00 C ATOM 0 H ILE A 56 22.165 -2.534 12.105 1.00 25.00 H new ATOM 0 HA ILE A 56 21.911 -3.742 9.474 1.00 25.00 H new ATOM 0 HB ILE A 56 24.355 -3.687 9.467 1.00 25.00 H new ATOM 0 HG12 ILE A 56 24.084 -2.749 12.353 1.00 25.00 H new ATOM 0 HG13 ILE A 56 24.737 -4.290 11.832 1.00 25.00 H new ATOM 0 HG21 ILE A 56 24.653 -1.216 9.709 1.00 25.00 H new ATOM 0 HG22 ILE A 56 23.111 -1.600 8.908 1.00 25.00 H new ATOM 0 HG23 ILE A 56 23.129 -1.126 10.624 1.00 25.00 H new ATOM 0 HD11 ILE A 56 26.524 -2.742 12.440 1.00 25.00 H new ATOM 0 HD12 ILE A 56 26.602 -3.134 10.706 1.00 25.00 H new ATOM 0 HD13 ILE A 56 25.940 -1.570 11.236 1.00 25.00 H new ATOM 875 N VAL A 57 22.751 -6.107 9.915 1.00 25.00 N ATOM 876 CA VAL A 57 22.847 -7.551 10.138 1.00 25.00 C ATOM 877 C VAL A 57 23.931 -8.104 9.216 1.00 25.00 C ATOM 878 O VAL A 57 24.016 -7.690 8.059 1.00 25.00 O ATOM 879 CB VAL A 57 21.506 -8.249 9.768 1.00 25.00 C ATOM 880 CG1 VAL A 57 21.586 -9.736 9.942 1.00 25.00 C ATOM 881 CG2 VAL A 57 20.352 -7.679 10.591 1.00 25.00 C ATOM 0 H VAL A 57 22.876 -5.834 8.940 1.00 25.00 H new ATOM 0 HA VAL A 57 23.076 -7.736 11.187 1.00 25.00 H new ATOM 0 HB VAL A 57 21.317 -8.048 8.713 1.00 25.00 H new ATOM 0 HG11 VAL A 57 20.630 -10.186 9.674 1.00 25.00 H new ATOM 0 HG12 VAL A 57 22.369 -10.136 9.298 1.00 25.00 H new ATOM 0 HG13 VAL A 57 21.817 -9.969 10.981 1.00 25.00 H new ATOM 0 HG21 VAL A 57 19.425 -8.182 10.315 1.00 25.00 H new ATOM 0 HG22 VAL A 57 20.549 -7.837 11.651 1.00 25.00 H new ATOM 0 HG23 VAL A 57 20.258 -6.611 10.394 1.00 25.00 H new ATOM 891 N PRO A 58 24.759 -9.050 9.690 1.00 25.00 N ATOM 892 CA PRO A 58 25.753 -9.613 8.773 1.00 25.00 C ATOM 893 C PRO A 58 25.091 -10.473 7.689 1.00 25.00 C ATOM 894 O PRO A 58 24.410 -11.463 7.978 1.00 25.00 O ATOM 895 CB PRO A 58 26.640 -10.446 9.705 1.00 25.00 C ATOM 896 CG PRO A 58 25.733 -10.850 10.814 1.00 25.00 C ATOM 897 CD PRO A 58 24.833 -9.671 11.025 1.00 25.00 C ATOM 0 HA PRO A 58 26.311 -8.858 8.220 1.00 25.00 H new ATOM 0 HB2 PRO A 58 27.051 -11.315 9.191 1.00 25.00 H new ATOM 0 HB3 PRO A 58 27.485 -9.865 10.074 1.00 25.00 H new ATOM 0 HG2 PRO A 58 25.162 -11.741 10.553 1.00 25.00 H new ATOM 0 HG3 PRO A 58 26.295 -11.085 11.718 1.00 25.00 H new ATOM 0 HD2 PRO A 58 23.849 -9.976 11.381 1.00 25.00 H new ATOM 0 HD3 PRO A 58 25.240 -8.983 11.766 1.00 25.00 H new ATOM 905 N GLY A 59 25.291 -10.095 6.434 1.00 25.00 N ATOM 906 CA GLY A 59 24.673 -10.796 5.317 1.00 25.00 C ATOM 907 C GLY A 59 25.062 -12.257 5.225 1.00 25.00 C ATOM 908 O GLY A 59 24.293 -13.077 4.741 1.00 25.00 O ATOM 0 H GLY A 59 25.877 -9.305 6.164 1.00 25.00 H new ATOM 0 HA2 GLY A 59 23.589 -10.723 5.408 1.00 25.00 H new ATOM 0 HA3 GLY A 59 24.949 -10.296 4.388 1.00 25.00 H new ATOM 912 N ASN A 60 26.234 -12.601 5.744 1.00 25.00 N ATOM 913 CA ASN A 60 26.706 -13.989 5.737 1.00 25.00 C ATOM 914 C ASN A 60 25.818 -14.917 6.584 1.00 25.00 C ATOM 915 O ASN A 60 25.906 -16.138 6.468 1.00 25.00 O ATOM 916 CB ASN A 60 28.151 -14.054 6.254 1.00 25.00 C ATOM 917 CG ASN A 60 29.007 -15.044 5.482 1.00 25.00 C ATOM 918 OD1 ASN A 60 30.076 -14.709 5.020 1.00 25.00 O ATOM 919 ND2 ASN A 60 28.534 -16.250 5.332 1.00 25.00 N ATOM 0 H ASN A 60 26.879 -11.940 6.177 1.00 25.00 H new ATOM 0 HA ASN A 60 26.658 -14.337 4.705 1.00 25.00 H new ATOM 0 HB2 ASN A 60 28.601 -13.063 6.189 1.00 25.00 H new ATOM 0 HB3 ASN A 60 28.143 -14.332 7.308 1.00 25.00 H new ATOM 0 HD21 ASN A 60 29.068 -16.946 4.812 1.00 25.00 H new ATOM 0 HD22 ASN A 60 27.630 -16.497 5.735 1.00 25.00 H new ATOM 926 N ARG A 61 24.965 -14.349 7.434 1.00 25.00 N ATOM 927 CA ARG A 61 24.069 -15.151 8.276 1.00 25.00 C ATOM 928 C ARG A 61 22.616 -15.012 7.841 1.00 25.00 C ATOM 929 O ARG A 61 21.715 -15.509 8.523 1.00 25.00 O ATOM 930 CB ARG A 61 24.218 -14.737 9.747 1.00 25.00 C ATOM 931 CG ARG A 61 25.625 -14.937 10.296 1.00 25.00 C ATOM 932 CD ARG A 61 25.669 -14.682 11.793 1.00 25.00 C ATOM 933 NE ARG A 61 27.024 -14.894 12.332 1.00 25.00 N ATOM 934 CZ ARG A 61 27.350 -14.867 13.619 1.00 25.00 C ATOM 935 NH1 ARG A 61 26.473 -14.665 14.566 1.00 25.00 N ATOM 936 NH2 ARG A 61 28.593 -15.066 13.951 1.00 25.00 N ATOM 0 H ARG A 61 24.873 -13.341 7.560 1.00 25.00 H new ATOM 0 HA ARG A 61 24.353 -16.197 8.162 1.00 25.00 H new ATOM 0 HB2 ARG A 61 23.942 -13.688 9.850 1.00 25.00 H new ATOM 0 HB3 ARG A 61 23.516 -15.312 10.351 1.00 25.00 H new ATOM 0 HG2 ARG A 61 25.959 -15.953 10.087 1.00 25.00 H new ATOM 0 HG3 ARG A 61 26.316 -14.264 9.789 1.00 25.00 H new ATOM 0 HD2 ARG A 61 25.349 -13.661 12.000 1.00 25.00 H new ATOM 0 HD3 ARG A 61 24.966 -15.345 12.298 1.00 25.00 H new ATOM 0 HE ARG A 61 27.772 -15.076 11.663 1.00 25.00 H new ATOM 0 HH11 ARG A 61 25.491 -14.520 14.330 1.00 25.00 H new ATOM 0 HH12 ARG A 61 26.770 -14.653 15.542 1.00 25.00 H new ATOM 0 HH21 ARG A 61 29.293 -15.238 13.229 1.00 25.00 H new ATOM 0 HH22 ARG A 61 28.867 -15.050 14.933 1.00 25.00 H new ATOM 950 N LEU A 62 22.384 -14.366 6.704 1.00 25.00 N ATOM 951 CA LEU A 62 21.026 -14.156 6.203 1.00 25.00 C ATOM 952 C LEU A 62 20.789 -14.732 4.825 1.00 25.00 C ATOM 953 O LEU A 62 21.681 -14.806 3.989 1.00 25.00 O ATOM 954 CB LEU A 62 20.713 -12.666 6.126 1.00 25.00 C ATOM 955 CG LEU A 62 19.972 -12.076 7.323 1.00 25.00 C ATOM 956 CD1 LEU A 62 19.732 -10.611 7.045 1.00 25.00 C ATOM 957 CD2 LEU A 62 18.645 -12.769 7.610 1.00 25.00 C ATOM 0 H LEU A 62 23.117 -13.978 6.110 1.00 25.00 H new ATOM 0 HA LEU A 62 20.379 -14.674 6.911 1.00 25.00 H new ATOM 0 HB2 LEU A 62 21.650 -12.124 6.001 1.00 25.00 H new ATOM 0 HB3 LEU A 62 20.118 -12.486 5.231 1.00 25.00 H new ATOM 0 HG LEU A 62 20.590 -12.222 8.209 1.00 25.00 H new ATOM 0 HD11 LEU A 62 19.203 -10.163 7.886 1.00 25.00 H new ATOM 0 HD12 LEU A 62 20.688 -10.106 6.907 1.00 25.00 H new ATOM 0 HD13 LEU A 62 19.132 -10.506 6.141 1.00 25.00 H new ATOM 0 HD21 LEU A 62 18.169 -12.302 8.472 1.00 25.00 H new ATOM 0 HD22 LEU A 62 17.992 -12.678 6.742 1.00 25.00 H new ATOM 0 HD23 LEU A 62 18.823 -13.823 7.821 1.00 25.00 H new ATOM 969 N LYS A 63 19.538 -15.087 4.581 1.00 25.00 N ATOM 970 CA LYS A 63 19.117 -15.546 3.259 1.00 25.00 C ATOM 971 C LYS A 63 17.912 -14.778 2.805 1.00 25.00 C ATOM 972 O LYS A 63 16.862 -14.852 3.424 1.00 25.00 O ATOM 973 CB LYS A 63 18.774 -17.037 3.288 1.00 25.00 C ATOM 974 CG LYS A 63 18.301 -17.586 1.936 1.00 25.00 C ATOM 975 CD LYS A 63 18.122 -19.101 1.952 1.00 25.00 C ATOM 976 CE LYS A 63 19.473 -19.806 2.017 1.00 25.00 C ATOM 977 NZ LYS A 63 19.372 -21.302 1.911 1.00 25.00 N ATOM 0 H LYS A 63 18.794 -15.068 5.278 1.00 25.00 H new ATOM 0 HA LYS A 63 19.942 -15.381 2.566 1.00 25.00 H new ATOM 0 HB2 LYS A 63 19.652 -17.597 3.611 1.00 25.00 H new ATOM 0 HB3 LYS A 63 17.996 -17.208 4.032 1.00 25.00 H new ATOM 0 HG2 LYS A 63 17.356 -17.114 1.666 1.00 25.00 H new ATOM 0 HG3 LYS A 63 19.023 -17.317 1.165 1.00 25.00 H new ATOM 0 HD2 LYS A 63 17.514 -19.391 2.809 1.00 25.00 H new ATOM 0 HD3 LYS A 63 17.584 -19.418 1.058 1.00 25.00 H new ATOM 0 HE2 LYS A 63 20.107 -19.434 1.212 1.00 25.00 H new ATOM 0 HE3 LYS A 63 19.964 -19.548 2.955 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 20.324 -21.719 1.962 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 18.792 -21.667 2.693 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 18.931 -21.557 1.004 1.00 25.00 H new ATOM 991 N ILE A 64 18.057 -14.090 1.688 1.00 25.00 N ATOM 992 CA ILE A 64 16.964 -13.329 1.110 1.00 25.00 C ATOM 993 C ILE A 64 15.923 -14.307 0.574 1.00 25.00 C ATOM 994 O ILE A 64 16.255 -15.222 -0.184 1.00 25.00 O ATOM 995 CB ILE A 64 17.463 -12.449 -0.062 1.00 25.00 C ATOM 996 CG1 ILE A 64 18.607 -11.512 0.382 1.00 25.00 C ATOM 997 CG2 ILE A 64 16.327 -11.622 -0.630 1.00 25.00 C ATOM 998 CD1 ILE A 64 18.221 -10.415 1.396 1.00 25.00 C ATOM 0 H ILE A 64 18.928 -14.042 1.159 1.00 25.00 H new ATOM 0 HA ILE A 64 16.539 -12.683 1.878 1.00 25.00 H new ATOM 0 HB ILE A 64 17.843 -13.120 -0.832 1.00 25.00 H new ATOM 0 HG12 ILE A 64 19.401 -12.119 0.817 1.00 25.00 H new ATOM 0 HG13 ILE A 64 19.022 -11.032 -0.504 1.00 25.00 H new ATOM 0 HG21 ILE A 64 16.698 -11.010 -1.452 1.00 25.00 H new ATOM 0 HG22 ILE A 64 15.542 -12.284 -0.996 1.00 25.00 H new ATOM 0 HG23 ILE A 64 15.923 -10.976 0.149 1.00 25.00 H new ATOM 0 HD11 ILE A 64 19.100 -9.817 1.637 1.00 25.00 H new ATOM 0 HD12 ILE A 64 17.453 -9.774 0.964 1.00 25.00 H new ATOM 0 HD13 ILE A 64 17.837 -10.878 2.305 1.00 25.00 H new ATOM 1010 N LEU A 65 14.675 -14.120 0.964 1.00 25.00 N ATOM 1011 CA LEU A 65 13.586 -14.982 0.517 1.00 25.00 C ATOM 1012 C LEU A 65 12.810 -14.293 -0.611 1.00 25.00 C ATOM 1013 O LEU A 65 11.826 -13.597 -0.376 1.00 25.00 O ATOM 1014 CB LEU A 65 12.656 -15.306 1.694 1.00 25.00 C ATOM 1015 CG LEU A 65 13.328 -15.859 2.965 1.00 25.00 C ATOM 1016 CD1 LEU A 65 12.249 -16.056 4.024 1.00 25.00 C ATOM 1017 CD2 LEU A 65 14.102 -17.180 2.724 1.00 25.00 C ATOM 0 H LEU A 65 14.385 -13.373 1.595 1.00 25.00 H new ATOM 0 HA LEU A 65 13.998 -15.917 0.137 1.00 25.00 H new ATOM 0 HB2 LEU A 65 12.114 -14.399 1.961 1.00 25.00 H new ATOM 0 HB3 LEU A 65 11.916 -16.031 1.355 1.00 25.00 H new ATOM 0 HG LEU A 65 14.075 -15.138 3.296 1.00 25.00 H new ATOM 0 HD11 LEU A 65 12.701 -16.448 4.935 1.00 25.00 H new ATOM 0 HD12 LEU A 65 11.770 -15.100 4.238 1.00 25.00 H new ATOM 0 HD13 LEU A 65 11.503 -16.761 3.657 1.00 25.00 H new ATOM 0 HD21 LEU A 65 14.551 -17.515 3.659 1.00 25.00 H new ATOM 0 HD22 LEU A 65 13.415 -17.943 2.358 1.00 25.00 H new ATOM 0 HD23 LEU A 65 14.886 -17.013 1.985 1.00 25.00 H new ATOM 1327 N PRO A 89 29.079 -18.472 10.627 1.00 25.00 N ATOM 1328 CA PRO A 89 30.221 -17.801 9.998 1.00 25.00 C ATOM 1329 C PRO A 89 30.511 -16.440 10.642 1.00 25.00 C ATOM 1330 O PRO A 89 29.673 -15.899 11.383 1.00 25.00 O ATOM 1331 CB PRO A 89 29.757 -17.639 8.547 1.00 25.00 C ATOM 1332 CG PRO A 89 28.303 -17.483 8.656 1.00 25.00 C ATOM 1333 CD PRO A 89 27.895 -18.426 9.746 1.00 25.00 C ATOM 0 HA PRO A 89 31.151 -18.359 10.100 1.00 25.00 H new ATOM 0 HB2 PRO A 89 30.217 -16.771 8.075 1.00 25.00 H new ATOM 0 HB3 PRO A 89 30.021 -18.508 7.944 1.00 25.00 H new ATOM 0 HG2 PRO A 89 28.033 -16.456 8.901 1.00 25.00 H new ATOM 0 HG3 PRO A 89 27.808 -17.727 7.716 1.00 25.00 H new ATOM 0 HD2 PRO A 89 27.014 -18.067 10.277 1.00 25.00 H new ATOM 0 HD3 PRO A 89 27.650 -19.412 9.352 1.00 25.00 H new ATOM 1341 N PRO A 90 31.697 -15.864 10.377 1.00 25.00 N ATOM 1342 CA PRO A 90 32.020 -14.579 11.008 1.00 25.00 C ATOM 1343 C PRO A 90 31.234 -13.400 10.437 1.00 25.00 C ATOM 1344 O PRO A 90 30.596 -13.499 9.384 1.00 25.00 O ATOM 1345 CB PRO A 90 33.517 -14.429 10.716 1.00 25.00 C ATOM 1346 CG PRO A 90 33.697 -15.116 9.423 1.00 25.00 C ATOM 1347 CD PRO A 90 32.805 -16.328 9.515 1.00 25.00 C ATOM 0 HA PRO A 90 31.762 -14.573 12.067 1.00 25.00 H new ATOM 0 HB2 PRO A 90 33.809 -13.381 10.655 1.00 25.00 H new ATOM 0 HB3 PRO A 90 34.124 -14.884 11.498 1.00 25.00 H new ATOM 0 HG2 PRO A 90 33.411 -14.475 8.589 1.00 25.00 H new ATOM 0 HG3 PRO A 90 34.738 -15.400 9.265 1.00 25.00 H new ATOM 0 HD2 PRO A 90 32.448 -16.641 8.534 1.00 25.00 H new ATOM 0 HD3 PRO A 90 33.326 -17.180 9.952 1.00 25.00 H new ATOM 1355 N LYS A 91 31.296 -12.279 11.142 1.00 25.00 N ATOM 1356 CA LYS A 91 30.664 -11.040 10.703 1.00 25.00 C ATOM 1357 C LYS A 91 31.698 -10.254 9.896 1.00 25.00 C ATOM 1358 O LYS A 91 32.891 -10.333 10.197 1.00 25.00 O ATOM 1359 CB LYS A 91 30.278 -10.188 11.918 1.00 25.00 C ATOM 1360 CG LYS A 91 29.339 -10.865 12.908 1.00 25.00 C ATOM 1361 CD LYS A 91 29.035 -9.915 14.059 1.00 25.00 C ATOM 1362 CE LYS A 91 28.067 -10.530 15.046 1.00 25.00 C ATOM 1363 NZ LYS A 91 27.730 -9.539 16.111 1.00 25.00 N ATOM 0 H LYS A 91 31.785 -12.201 12.034 1.00 25.00 H new ATOM 0 HA LYS A 91 29.774 -11.268 10.116 1.00 25.00 H new ATOM 0 HB2 LYS A 91 31.188 -9.899 12.443 1.00 25.00 H new ATOM 0 HB3 LYS A 91 29.808 -9.270 11.565 1.00 25.00 H new ATOM 0 HG2 LYS A 91 28.414 -11.154 12.408 1.00 25.00 H new ATOM 0 HG3 LYS A 91 29.794 -11.779 13.289 1.00 25.00 H new ATOM 0 HD2 LYS A 91 29.961 -9.654 14.571 1.00 25.00 H new ATOM 0 HD3 LYS A 91 28.616 -8.989 13.666 1.00 25.00 H new ATOM 0 HE2 LYS A 91 27.160 -10.846 14.531 1.00 25.00 H new ATOM 0 HE3 LYS A 91 28.507 -11.422 15.493 1.00 25.00 H new ATOM 0 HZ1 LYS A 91 26.834 -9.808 16.565 1.00 25.00 H new ATOM 0 HZ2 LYS A 91 28.488 -9.524 16.823 1.00 25.00 H new ATOM 0 HZ3 LYS A 91 27.634 -8.594 15.688 1.00 25.00 H new ATOM 1377 N PRO A 92 31.260 -9.443 8.920 1.00 25.00 N ATOM 1378 CA PRO A 92 32.233 -8.505 8.352 1.00 25.00 C ATOM 1379 C PRO A 92 32.581 -7.444 9.413 1.00 25.00 C ATOM 1380 O PRO A 92 31.843 -7.274 10.387 1.00 25.00 O ATOM 1381 CB PRO A 92 31.486 -7.918 7.147 1.00 25.00 C ATOM 1382 CG PRO A 92 30.059 -8.016 7.499 1.00 25.00 C ATOM 1383 CD PRO A 92 29.909 -9.234 8.369 1.00 25.00 C ATOM 0 HA PRO A 92 33.183 -8.948 8.053 1.00 25.00 H new ATOM 0 HB2 PRO A 92 31.778 -6.883 6.967 1.00 25.00 H new ATOM 0 HB3 PRO A 92 31.707 -8.474 6.236 1.00 25.00 H new ATOM 0 HG2 PRO A 92 29.729 -7.121 8.026 1.00 25.00 H new ATOM 0 HG3 PRO A 92 29.445 -8.103 6.603 1.00 25.00 H new ATOM 0 HD2 PRO A 92 29.176 -9.073 9.159 1.00 25.00 H new ATOM 0 HD3 PRO A 92 29.574 -10.097 7.794 1.00 25.00 H new