USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 466 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 7 ASN : amide:sc= -0.0537 X(o=-0.054,f=-0.13) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.391 X(o=-0.39,f=-0.39) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 156:sc= -0.131 (180deg=-0.944) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot -38:sc= 0.145 USER MOD Single : A 40 GLN : amide:sc=-0.00589 K(o=-0.0059,f=-1.3) USER MOD Single : A 48 CYS SG : rot -149:sc= -1.45 USER MOD Single : A 49 SER OG : rot -140:sc= -0.0037 USER MOD Single : A 51 HIS : no HE2:sc= 0.157 K(o=0.16,f=-0.72) USER MOD Single : A 54 GLN : amide:sc= -0.0196 K(o=-0.02,f=-3.3!) USER MOD Single : A 60 ASN : amide:sc=-0.00334 K(o=-0.0033,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N LEU A 6 9.708 2.388 -20.201 1.00 25.00 N ATOM 81 CA LEU A 6 9.982 2.039 -21.596 1.00 25.00 C ATOM 82 C LEU A 6 8.747 2.223 -22.469 1.00 25.00 C ATOM 83 O LEU A 6 8.821 2.817 -23.537 1.00 25.00 O ATOM 84 CB LEU A 6 10.464 0.590 -21.687 1.00 25.00 C ATOM 85 CG LEU A 6 11.708 0.254 -20.848 1.00 25.00 C ATOM 86 CD1 LEU A 6 11.949 -1.239 -20.900 1.00 25.00 C ATOM 87 CD2 LEU A 6 12.959 0.999 -21.332 1.00 25.00 C ATOM 0 HA LEU A 6 10.760 2.709 -21.961 1.00 25.00 H new ATOM 0 HB2 LEU A 6 9.650 -0.066 -21.378 1.00 25.00 H new ATOM 0 HB3 LEU A 6 10.678 0.361 -22.731 1.00 25.00 H new ATOM 0 HG LEU A 6 11.519 0.577 -19.824 1.00 25.00 H new ATOM 0 HD11 LEU A 6 12.830 -1.486 -20.307 1.00 25.00 H new ATOM 0 HD12 LEU A 6 11.082 -1.762 -20.497 1.00 25.00 H new ATOM 0 HD13 LEU A 6 12.109 -1.546 -21.934 1.00 25.00 H new ATOM 0 HD21 LEU A 6 13.809 0.727 -20.707 1.00 25.00 H new ATOM 0 HD22 LEU A 6 13.167 0.726 -22.367 1.00 25.00 H new ATOM 0 HD23 LEU A 6 12.790 2.074 -21.267 1.00 25.00 H new ATOM 99 N ASN A 7 7.616 1.713 -21.986 1.00 25.00 N ATOM 100 CA ASN A 7 6.320 1.837 -22.671 1.00 25.00 C ATOM 101 C ASN A 7 6.355 1.450 -24.157 1.00 25.00 C ATOM 102 O ASN A 7 5.811 2.150 -25.010 1.00 25.00 O ATOM 103 CB ASN A 7 5.786 3.265 -22.509 1.00 25.00 C ATOM 104 CG ASN A 7 4.304 3.354 -22.762 1.00 25.00 C ATOM 105 OD1 ASN A 7 3.522 2.632 -22.171 1.00 25.00 O ATOM 106 ND2 ASN A 7 3.910 4.246 -23.637 1.00 25.00 N ATOM 0 H ASN A 7 7.567 1.199 -21.106 1.00 25.00 H new ATOM 0 HA ASN A 7 5.651 1.120 -22.194 1.00 25.00 H new ATOM 0 HB2 ASN A 7 6.002 3.619 -21.501 1.00 25.00 H new ATOM 0 HB3 ASN A 7 6.310 3.927 -23.198 1.00 25.00 H new ATOM 0 HD21 ASN A 7 2.917 4.354 -23.843 1.00 25.00 H new ATOM 0 HD22 ASN A 7 4.596 4.833 -24.112 1.00 25.00 H new ATOM 113 N VAL A 8 6.971 0.315 -24.450 1.00 25.00 N ATOM 114 CA VAL A 8 7.012 -0.227 -25.802 1.00 25.00 C ATOM 115 C VAL A 8 6.121 -1.453 -25.749 1.00 25.00 C ATOM 116 O VAL A 8 5.708 -1.844 -24.670 1.00 25.00 O ATOM 117 CB VAL A 8 8.452 -0.578 -26.250 1.00 25.00 C ATOM 118 CG1 VAL A 8 9.304 0.692 -26.344 1.00 25.00 C ATOM 119 CG2 VAL A 8 9.115 -1.591 -25.293 1.00 25.00 C ATOM 0 H VAL A 8 7.457 -0.257 -23.759 1.00 25.00 H new ATOM 0 HA VAL A 8 6.668 0.499 -26.539 1.00 25.00 H new ATOM 0 HB VAL A 8 8.387 -1.041 -27.234 1.00 25.00 H new ATOM 0 HG11 VAL A 8 10.314 0.430 -26.660 1.00 25.00 H new ATOM 0 HG12 VAL A 8 8.862 1.374 -27.070 1.00 25.00 H new ATOM 0 HG13 VAL A 8 9.343 1.177 -25.369 1.00 25.00 H new ATOM 0 HG21 VAL A 8 10.124 -1.813 -25.640 1.00 25.00 H new ATOM 0 HG22 VAL A 8 9.161 -1.167 -24.290 1.00 25.00 H new ATOM 0 HG23 VAL A 8 8.528 -2.510 -25.272 1.00 25.00 H new ATOM 129 N LEU A 9 5.800 -2.047 -26.883 1.00 25.00 N ATOM 130 CA LEU A 9 4.895 -3.195 -26.899 1.00 25.00 C ATOM 131 C LEU A 9 5.447 -4.256 -27.823 1.00 25.00 C ATOM 132 O LEU A 9 6.293 -3.974 -28.676 1.00 25.00 O ATOM 133 CB LEU A 9 3.477 -2.784 -27.321 1.00 25.00 C ATOM 134 CG LEU A 9 3.346 -1.930 -28.594 1.00 25.00 C ATOM 135 CD1 LEU A 9 2.069 -2.300 -29.334 1.00 25.00 C ATOM 136 CD2 LEU A 9 3.314 -0.434 -28.222 1.00 25.00 C ATOM 0 H LEU A 9 6.145 -1.762 -27.800 1.00 25.00 H new ATOM 0 HA LEU A 9 4.825 -3.600 -25.889 1.00 25.00 H new ATOM 0 HB2 LEU A 9 2.889 -3.691 -27.460 1.00 25.00 H new ATOM 0 HB3 LEU A 9 3.024 -2.234 -26.496 1.00 25.00 H new ATOM 0 HG LEU A 9 4.204 -2.120 -29.239 1.00 25.00 H new ATOM 0 HD11 LEU A 9 1.981 -1.692 -30.235 1.00 25.00 H new ATOM 0 HD12 LEU A 9 2.100 -3.354 -29.609 1.00 25.00 H new ATOM 0 HD13 LEU A 9 1.209 -2.119 -28.689 1.00 25.00 H new ATOM 0 HD21 LEU A 9 3.221 0.164 -29.128 1.00 25.00 H new ATOM 0 HD22 LEU A 9 2.463 -0.239 -27.570 1.00 25.00 H new ATOM 0 HD23 LEU A 9 4.236 -0.168 -27.704 1.00 25.00 H new ATOM 148 N ALA A 10 5.001 -5.486 -27.618 1.00 25.00 N ATOM 149 CA ALA A 10 5.528 -6.622 -28.351 1.00 25.00 C ATOM 150 C ALA A 10 4.460 -7.683 -28.612 1.00 25.00 C ATOM 151 O ALA A 10 3.558 -7.871 -27.809 1.00 25.00 O ATOM 152 CB ALA A 10 6.679 -7.228 -27.561 1.00 25.00 C ATOM 0 H ALA A 10 4.271 -5.721 -26.946 1.00 25.00 H new ATOM 0 HA ALA A 10 5.876 -6.270 -29.322 1.00 25.00 H new ATOM 0 HB1 ALA A 10 7.082 -8.083 -28.104 1.00 25.00 H new ATOM 0 HB2 ALA A 10 7.462 -6.481 -27.427 1.00 25.00 H new ATOM 0 HB3 ALA A 10 6.319 -7.555 -26.585 1.00 25.00 H new ATOM 158 N LYS A 11 4.608 -8.395 -29.720 1.00 25.00 N ATOM 159 CA LYS A 11 3.721 -9.501 -30.066 1.00 25.00 C ATOM 160 C LYS A 11 4.329 -10.813 -29.603 1.00 25.00 C ATOM 161 O LYS A 11 5.506 -11.067 -29.858 1.00 25.00 O ATOM 162 CB LYS A 11 3.512 -9.552 -31.580 1.00 25.00 C ATOM 163 CG LYS A 11 2.543 -10.641 -32.013 1.00 25.00 C ATOM 164 CD LYS A 11 2.433 -10.755 -33.519 1.00 25.00 C ATOM 165 CE LYS A 11 1.467 -11.879 -33.854 1.00 25.00 C ATOM 166 NZ LYS A 11 1.368 -12.164 -35.323 1.00 25.00 N ATOM 0 H LYS A 11 5.344 -8.224 -30.405 1.00 25.00 H new ATOM 0 HA LYS A 11 2.761 -9.347 -29.573 1.00 25.00 H new ATOM 0 HB2 LYS A 11 3.140 -8.586 -31.922 1.00 25.00 H new ATOM 0 HB3 LYS A 11 4.473 -9.714 -32.068 1.00 25.00 H new ATOM 0 HG2 LYS A 11 2.869 -11.597 -31.602 1.00 25.00 H new ATOM 0 HG3 LYS A 11 1.558 -10.434 -31.595 1.00 25.00 H new ATOM 0 HD2 LYS A 11 2.081 -9.815 -33.944 1.00 25.00 H new ATOM 0 HD3 LYS A 11 3.412 -10.955 -33.955 1.00 25.00 H new ATOM 0 HE2 LYS A 11 1.782 -12.785 -33.337 1.00 25.00 H new ATOM 0 HE3 LYS A 11 0.478 -11.623 -33.474 1.00 25.00 H new ATOM 0 HZ1 LYS A 11 0.694 -12.940 -35.481 1.00 25.00 H new ATOM 0 HZ2 LYS A 11 1.039 -11.312 -35.821 1.00 25.00 H new ATOM 0 HZ3 LYS A 11 2.303 -12.438 -35.687 1.00 25.00 H new ATOM 180 N ALA A 12 3.526 -11.658 -28.976 1.00 25.00 N ATOM 181 CA ALA A 12 3.970 -12.977 -28.553 1.00 25.00 C ATOM 182 C ALA A 12 4.094 -13.893 -29.770 1.00 25.00 C ATOM 183 O ALA A 12 3.182 -13.977 -30.607 1.00 25.00 O ATOM 184 CB ALA A 12 2.983 -13.567 -27.553 1.00 25.00 C ATOM 0 H ALA A 12 2.554 -11.451 -28.747 1.00 25.00 H new ATOM 0 HA ALA A 12 4.944 -12.888 -28.072 1.00 25.00 H new ATOM 0 HB1 ALA A 12 3.325 -14.554 -27.243 1.00 25.00 H new ATOM 0 HB2 ALA A 12 2.916 -12.916 -26.681 1.00 25.00 H new ATOM 0 HB3 ALA A 12 2.001 -13.653 -28.018 1.00 25.00 H new ATOM 190 N LEU A 13 5.219 -14.582 -29.855 1.00 25.00 N ATOM 191 CA LEU A 13 5.482 -15.508 -30.950 1.00 25.00 C ATOM 192 C LEU A 13 5.137 -16.929 -30.513 1.00 25.00 C ATOM 193 O LEU A 13 4.830 -17.787 -31.335 1.00 25.00 O ATOM 194 CB LEU A 13 6.962 -15.426 -31.340 1.00 25.00 C ATOM 195 CG LEU A 13 7.474 -14.037 -31.767 1.00 25.00 C ATOM 196 CD1 LEU A 13 8.993 -14.074 -31.925 1.00 25.00 C ATOM 197 CD2 LEU A 13 6.813 -13.573 -33.076 1.00 25.00 C ATOM 0 H LEU A 13 5.974 -14.518 -29.172 1.00 25.00 H new ATOM 0 HA LEU A 13 4.868 -15.242 -31.810 1.00 25.00 H new ATOM 0 HB2 LEU A 13 7.559 -15.767 -30.494 1.00 25.00 H new ATOM 0 HB3 LEU A 13 7.141 -16.124 -32.158 1.00 25.00 H new ATOM 0 HG LEU A 13 7.207 -13.321 -30.990 1.00 25.00 H new ATOM 0 HD11 LEU A 13 9.351 -13.090 -32.227 1.00 25.00 H new ATOM 0 HD12 LEU A 13 9.451 -14.351 -30.976 1.00 25.00 H new ATOM 0 HD13 LEU A 13 9.262 -14.807 -32.685 1.00 25.00 H new ATOM 0 HD21 LEU A 13 7.196 -12.590 -33.349 1.00 25.00 H new ATOM 0 HD22 LEU A 13 7.040 -14.284 -33.870 1.00 25.00 H new ATOM 0 HD23 LEU A 13 5.733 -13.516 -32.938 1.00 25.00 H new ATOM 209 N TYR A 14 5.164 -17.149 -29.208 1.00 25.00 N ATOM 210 CA TYR A 14 4.870 -18.448 -28.599 1.00 25.00 C ATOM 211 C TYR A 14 3.762 -18.229 -27.581 1.00 25.00 C ATOM 212 O TYR A 14 3.528 -17.095 -27.168 1.00 25.00 O ATOM 213 CB TYR A 14 6.109 -19.009 -27.893 1.00 25.00 C ATOM 214 CG TYR A 14 7.278 -19.256 -28.827 1.00 25.00 C ATOM 215 CD1 TYR A 14 7.505 -20.534 -29.382 1.00 25.00 C ATOM 216 CD2 TYR A 14 8.169 -18.215 -29.160 1.00 25.00 C ATOM 217 CE1 TYR A 14 8.601 -20.765 -30.252 1.00 25.00 C ATOM 218 CE2 TYR A 14 9.261 -18.443 -30.041 1.00 25.00 C ATOM 219 CZ TYR A 14 9.467 -19.715 -30.571 1.00 25.00 C ATOM 220 OH TYR A 14 10.530 -19.935 -31.413 1.00 25.00 O ATOM 0 H TYR A 14 5.393 -16.424 -28.528 1.00 25.00 H new ATOM 0 HA TYR A 14 4.569 -19.162 -29.366 1.00 25.00 H new ATOM 0 HB2 TYR A 14 6.418 -18.314 -27.112 1.00 25.00 H new ATOM 0 HB3 TYR A 14 5.844 -19.944 -27.400 1.00 25.00 H new ATOM 0 HD1 TYR A 14 6.835 -21.346 -29.141 1.00 25.00 H new ATOM 0 HD2 TYR A 14 8.020 -17.231 -28.740 1.00 25.00 H new ATOM 0 HE1 TYR A 14 8.766 -21.749 -30.667 1.00 25.00 H new ATOM 0 HE2 TYR A 14 9.928 -17.634 -30.298 1.00 25.00 H new ATOM 0 HH TYR A 14 11.031 -19.101 -31.532 1.00 25.00 H new ATOM 230 N ASP A 15 3.087 -19.296 -27.191 1.00 25.00 N ATOM 231 CA ASP A 15 2.055 -19.245 -26.157 1.00 25.00 C ATOM 232 C ASP A 15 2.625 -19.780 -24.852 1.00 25.00 C ATOM 233 O ASP A 15 3.670 -20.423 -24.856 1.00 25.00 O ATOM 234 CB ASP A 15 0.810 -20.055 -26.567 1.00 25.00 C ATOM 235 CG ASP A 15 1.142 -21.452 -27.064 1.00 25.00 C ATOM 236 OD1 ASP A 15 0.564 -22.410 -26.531 1.00 25.00 O ATOM 237 OD2 ASP A 15 1.804 -21.567 -28.128 1.00 25.00 O ATOM 0 H ASP A 15 3.236 -20.227 -27.580 1.00 25.00 H new ATOM 0 HA ASP A 15 1.745 -18.208 -26.026 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.136 -20.131 -25.713 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.275 -19.516 -27.349 1.00 25.00 H new ATOM 242 N ASN A 16 1.956 -19.474 -23.745 1.00 25.00 N ATOM 243 CA ASN A 16 2.423 -19.872 -22.426 1.00 25.00 C ATOM 244 C ASN A 16 1.254 -20.038 -21.453 1.00 25.00 C ATOM 245 O ASN A 16 0.178 -19.453 -21.643 1.00 25.00 O ATOM 246 CB ASN A 16 3.351 -18.788 -21.881 1.00 25.00 C ATOM 247 CG ASN A 16 4.141 -19.253 -20.707 1.00 25.00 C ATOM 248 OD1 ASN A 16 4.742 -20.310 -20.744 1.00 25.00 O ATOM 249 ND2 ASN A 16 4.144 -18.480 -19.671 1.00 25.00 N ATOM 0 H ASN A 16 1.082 -18.948 -23.738 1.00 25.00 H new ATOM 0 HA ASN A 16 2.943 -20.825 -22.520 1.00 25.00 H new ATOM 0 HB2 ASN A 16 4.032 -18.467 -22.669 1.00 25.00 H new ATOM 0 HB3 ASN A 16 2.760 -17.918 -21.596 1.00 25.00 H new ATOM 0 HD21 ASN A 16 4.666 -18.747 -18.837 1.00 25.00 H new ATOM 0 HD22 ASN A 16 3.624 -17.603 -19.688 1.00 25.00 H new ATOM 256 N VAL A 17 1.478 -20.786 -20.386 1.00 25.00 N ATOM 257 CA VAL A 17 0.495 -20.941 -19.319 1.00 25.00 C ATOM 258 C VAL A 17 1.226 -20.454 -18.092 1.00 25.00 C ATOM 259 O VAL A 17 2.372 -20.810 -17.906 1.00 25.00 O ATOM 260 CB VAL A 17 0.063 -22.429 -19.140 1.00 25.00 C ATOM 261 CG1 VAL A 17 -0.932 -22.578 -17.975 1.00 25.00 C ATOM 262 CG2 VAL A 17 -0.569 -22.961 -20.435 1.00 25.00 C ATOM 0 H VAL A 17 2.343 -21.303 -20.232 1.00 25.00 H new ATOM 0 HA VAL A 17 -0.425 -20.393 -19.524 1.00 25.00 H new ATOM 0 HB VAL A 17 0.955 -23.012 -18.910 1.00 25.00 H new ATOM 0 HG11 VAL A 17 -1.217 -23.625 -17.872 1.00 25.00 H new ATOM 0 HG12 VAL A 17 -0.465 -22.236 -17.051 1.00 25.00 H new ATOM 0 HG13 VAL A 17 -1.820 -21.978 -18.176 1.00 25.00 H new ATOM 0 HG21 VAL A 17 -0.865 -24.001 -20.295 1.00 25.00 H new ATOM 0 HG22 VAL A 17 -1.446 -22.364 -20.684 1.00 25.00 H new ATOM 0 HG23 VAL A 17 0.156 -22.897 -21.247 1.00 25.00 H new ATOM 272 N ALA A 18 0.597 -19.612 -17.286 1.00 25.00 N ATOM 273 CA ALA A 18 1.261 -19.103 -16.095 1.00 25.00 C ATOM 274 C ALA A 18 1.350 -20.208 -15.073 1.00 25.00 C ATOM 275 O ALA A 18 0.352 -20.636 -14.498 1.00 25.00 O ATOM 276 CB ALA A 18 0.507 -17.897 -15.538 1.00 25.00 C ATOM 0 H ALA A 18 -0.354 -19.272 -17.430 1.00 25.00 H new ATOM 0 HA ALA A 18 2.268 -18.772 -16.348 1.00 25.00 H new ATOM 0 HB1 ALA A 18 1.017 -17.529 -14.648 1.00 25.00 H new ATOM 0 HB2 ALA A 18 0.475 -17.109 -16.290 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -0.510 -18.192 -15.278 1.00 25.00 H new ATOM 282 N GLU A 19 2.573 -20.648 -14.865 1.00 25.00 N ATOM 283 CA GLU A 19 2.887 -21.670 -13.901 1.00 25.00 C ATOM 284 C GLU A 19 2.897 -21.019 -12.521 1.00 25.00 C ATOM 285 O GLU A 19 2.471 -21.602 -11.522 1.00 25.00 O ATOM 286 CB GLU A 19 4.263 -22.244 -14.239 1.00 25.00 C ATOM 287 CG GLU A 19 4.771 -23.182 -13.199 1.00 25.00 C ATOM 288 CD GLU A 19 6.036 -23.927 -13.621 1.00 25.00 C ATOM 289 OE1 GLU A 19 6.698 -23.511 -14.599 1.00 25.00 O ATOM 290 OE2 GLU A 19 6.352 -24.957 -12.985 1.00 25.00 O ATOM 0 H GLU A 19 3.386 -20.297 -15.371 1.00 25.00 H new ATOM 0 HA GLU A 19 2.156 -22.478 -13.916 1.00 25.00 H new ATOM 0 HB2 GLU A 19 4.209 -22.764 -15.195 1.00 25.00 H new ATOM 0 HB3 GLU A 19 4.973 -21.426 -14.361 1.00 25.00 H new ATOM 0 HG2 GLU A 19 4.975 -22.624 -12.285 1.00 25.00 H new ATOM 0 HG3 GLU A 19 3.992 -23.907 -12.963 1.00 25.00 H new ATOM 297 N SER A 20 3.356 -19.777 -12.492 1.00 25.00 N ATOM 298 CA SER A 20 3.443 -19.007 -11.261 1.00 25.00 C ATOM 299 C SER A 20 2.580 -17.759 -11.371 1.00 25.00 C ATOM 300 O SER A 20 2.343 -17.265 -12.468 1.00 25.00 O ATOM 301 CB SER A 20 4.902 -18.614 -11.034 1.00 25.00 C ATOM 302 OG SER A 20 5.696 -19.769 -10.844 1.00 25.00 O ATOM 0 H SER A 20 3.678 -19.275 -13.320 1.00 25.00 H new ATOM 0 HA SER A 20 3.086 -19.604 -10.422 1.00 25.00 H new ATOM 0 HB2 SER A 20 5.271 -18.047 -11.889 1.00 25.00 H new ATOM 0 HB3 SER A 20 4.980 -17.963 -10.163 1.00 25.00 H new ATOM 0 HG SER A 20 6.629 -19.505 -10.701 1.00 25.00 H new ATOM 308 N PRO A 21 2.108 -17.207 -10.235 1.00 25.00 N ATOM 309 CA PRO A 21 1.254 -16.021 -10.358 1.00 25.00 C ATOM 310 C PRO A 21 2.003 -14.770 -10.807 1.00 25.00 C ATOM 311 O PRO A 21 1.391 -13.805 -11.234 1.00 25.00 O ATOM 312 CB PRO A 21 0.700 -15.857 -8.942 1.00 25.00 C ATOM 313 CG PRO A 21 1.766 -16.400 -8.066 1.00 25.00 C ATOM 314 CD PRO A 21 2.269 -17.606 -8.822 1.00 25.00 C ATOM 0 HA PRO A 21 0.491 -16.148 -11.126 1.00 25.00 H new ATOM 0 HB2 PRO A 21 0.493 -14.811 -8.715 1.00 25.00 H new ATOM 0 HB3 PRO A 21 -0.235 -16.402 -8.815 1.00 25.00 H new ATOM 0 HG2 PRO A 21 2.559 -15.671 -7.901 1.00 25.00 H new ATOM 0 HG3 PRO A 21 1.377 -16.675 -7.086 1.00 25.00 H new ATOM 0 HD2 PRO A 21 3.309 -17.827 -8.582 1.00 25.00 H new ATOM 0 HD3 PRO A 21 1.690 -18.499 -8.587 1.00 25.00 H new ATOM 322 N ASP A 22 3.322 -14.801 -10.715 1.00 25.00 N ATOM 323 CA ASP A 22 4.154 -13.675 -11.119 1.00 25.00 C ATOM 324 C ASP A 22 4.415 -13.709 -12.624 1.00 25.00 C ATOM 325 O ASP A 22 4.956 -12.766 -13.199 1.00 25.00 O ATOM 326 CB ASP A 22 5.483 -13.745 -10.373 1.00 25.00 C ATOM 327 CG ASP A 22 5.306 -13.687 -8.881 1.00 25.00 C ATOM 328 OD1 ASP A 22 4.632 -12.750 -8.393 1.00 25.00 O ATOM 329 OD2 ASP A 22 5.782 -14.616 -8.200 1.00 25.00 O ATOM 0 H ASP A 22 3.846 -15.601 -10.361 1.00 25.00 H new ATOM 0 HA ASP A 22 3.635 -12.748 -10.878 1.00 25.00 H new ATOM 0 HB2 ASP A 22 5.998 -14.668 -10.640 1.00 25.00 H new ATOM 0 HB3 ASP A 22 6.120 -12.921 -10.693 1.00 25.00 H new ATOM 334 N GLU A 23 4.050 -14.811 -13.254 1.00 25.00 N ATOM 335 CA GLU A 23 4.227 -14.988 -14.683 1.00 25.00 C ATOM 336 C GLU A 23 2.937 -14.582 -15.400 1.00 25.00 C ATOM 337 O GLU A 23 1.837 -14.807 -14.892 1.00 25.00 O ATOM 338 CB GLU A 23 4.530 -16.456 -14.970 1.00 25.00 C ATOM 339 CG GLU A 23 5.024 -16.691 -16.371 1.00 25.00 C ATOM 340 CD GLU A 23 5.316 -18.147 -16.640 1.00 25.00 C ATOM 341 OE1 GLU A 23 6.128 -18.426 -17.550 1.00 25.00 O ATOM 342 OE2 GLU A 23 4.698 -19.019 -15.984 1.00 25.00 O ATOM 0 H GLU A 23 3.621 -15.610 -12.787 1.00 25.00 H new ATOM 0 HA GLU A 23 5.052 -14.369 -15.037 1.00 25.00 H new ATOM 0 HB2 GLU A 23 5.279 -16.812 -14.262 1.00 25.00 H new ATOM 0 HB3 GLU A 23 3.629 -17.046 -14.805 1.00 25.00 H new ATOM 0 HG2 GLU A 23 4.278 -16.335 -17.081 1.00 25.00 H new ATOM 0 HG3 GLU A 23 5.928 -16.105 -16.538 1.00 25.00 H new ATOM 349 N LEU A 24 3.056 -13.984 -16.577 1.00 25.00 N ATOM 350 CA LEU A 24 1.864 -13.599 -17.315 1.00 25.00 C ATOM 351 C LEU A 24 1.401 -14.746 -18.201 1.00 25.00 C ATOM 352 O LEU A 24 2.191 -15.361 -18.910 1.00 25.00 O ATOM 353 CB LEU A 24 2.142 -12.362 -18.177 1.00 25.00 C ATOM 354 CG LEU A 24 1.227 -11.168 -17.870 1.00 25.00 C ATOM 355 CD1 LEU A 24 1.670 -9.975 -18.681 1.00 25.00 C ATOM 356 CD2 LEU A 24 -0.246 -11.465 -18.162 1.00 25.00 C ATOM 0 H LEU A 24 3.941 -13.760 -17.031 1.00 25.00 H new ATOM 0 HA LEU A 24 1.079 -13.360 -16.597 1.00 25.00 H new ATOM 0 HB2 LEU A 24 3.179 -12.058 -18.034 1.00 25.00 H new ATOM 0 HB3 LEU A 24 2.031 -12.631 -19.227 1.00 25.00 H new ATOM 0 HG LEU A 24 1.311 -10.960 -16.803 1.00 25.00 H new ATOM 0 HD11 LEU A 24 1.021 -9.126 -18.464 1.00 25.00 H new ATOM 0 HD12 LEU A 24 2.698 -9.721 -18.423 1.00 25.00 H new ATOM 0 HD13 LEU A 24 1.611 -10.215 -19.743 1.00 25.00 H new ATOM 0 HD21 LEU A 24 -0.848 -10.587 -17.927 1.00 25.00 H new ATOM 0 HD22 LEU A 24 -0.365 -11.715 -19.216 1.00 25.00 H new ATOM 0 HD23 LEU A 24 -0.576 -12.305 -17.551 1.00 25.00 H new ATOM 368 N SER A 25 0.104 -15.003 -18.195 1.00 25.00 N ATOM 369 CA SER A 25 -0.470 -15.966 -19.127 1.00 25.00 C ATOM 370 C SER A 25 -0.740 -15.193 -20.409 1.00 25.00 C ATOM 371 O SER A 25 -1.406 -14.161 -20.386 1.00 25.00 O ATOM 372 CB SER A 25 -1.765 -16.563 -18.580 1.00 25.00 C ATOM 373 OG SER A 25 -2.321 -17.507 -19.492 1.00 25.00 O ATOM 0 H SER A 25 -0.567 -14.565 -17.564 1.00 25.00 H new ATOM 0 HA SER A 25 0.209 -16.802 -19.293 1.00 25.00 H new ATOM 0 HB2 SER A 25 -1.570 -17.048 -17.624 1.00 25.00 H new ATOM 0 HB3 SER A 25 -2.485 -15.767 -18.392 1.00 25.00 H new ATOM 0 HG SER A 25 -3.148 -17.876 -19.117 1.00 25.00 H new ATOM 379 N PHE A 26 -0.206 -15.671 -21.516 1.00 25.00 N ATOM 380 CA PHE A 26 -0.376 -15.018 -22.806 1.00 25.00 C ATOM 381 C PHE A 26 -0.362 -16.106 -23.859 1.00 25.00 C ATOM 382 O PHE A 26 0.081 -17.216 -23.588 1.00 25.00 O ATOM 383 CB PHE A 26 0.758 -14.016 -23.068 1.00 25.00 C ATOM 384 CG PHE A 26 2.135 -14.634 -23.061 1.00 25.00 C ATOM 385 CD1 PHE A 26 2.681 -15.197 -24.234 1.00 25.00 C ATOM 386 CD2 PHE A 26 2.900 -14.648 -21.883 1.00 25.00 C ATOM 387 CE1 PHE A 26 3.977 -15.773 -24.221 1.00 25.00 C ATOM 388 CE2 PHE A 26 4.183 -15.228 -21.857 1.00 25.00 C ATOM 389 CZ PHE A 26 4.727 -15.788 -23.031 1.00 25.00 C ATOM 0 H PHE A 26 0.357 -16.521 -21.550 1.00 25.00 H new ATOM 0 HA PHE A 26 -1.312 -14.461 -22.828 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.591 -13.537 -24.033 1.00 25.00 H new ATOM 0 HB3 PHE A 26 0.719 -13.232 -22.312 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.107 -15.189 -25.149 1.00 25.00 H new ATOM 0 HD2 PHE A 26 2.498 -14.207 -20.983 1.00 25.00 H new ATOM 0 HE1 PHE A 26 4.388 -16.200 -25.124 1.00 25.00 H new ATOM 0 HE2 PHE A 26 4.750 -15.244 -20.938 1.00 25.00 H new ATOM 0 HZ PHE A 26 5.714 -16.226 -23.017 1.00 25.00 H new ATOM 399 N ARG A 27 -0.822 -15.810 -25.066 1.00 25.00 N ATOM 400 CA ARG A 27 -0.789 -16.799 -26.136 1.00 25.00 C ATOM 401 C ARG A 27 -0.161 -16.220 -27.383 1.00 25.00 C ATOM 402 O ARG A 27 -0.092 -15.008 -27.556 1.00 25.00 O ATOM 403 CB ARG A 27 -2.196 -17.343 -26.422 1.00 25.00 C ATOM 404 CG ARG A 27 -2.678 -18.302 -25.324 1.00 25.00 C ATOM 405 CD ARG A 27 -4.058 -18.886 -25.599 1.00 25.00 C ATOM 406 NE ARG A 27 -5.128 -17.896 -25.383 1.00 25.00 N ATOM 407 CZ ARG A 27 -5.724 -17.648 -24.216 1.00 25.00 C ATOM 408 NH1 ARG A 27 -5.396 -18.267 -23.105 1.00 25.00 N ATOM 409 NH2 ARG A 27 -6.671 -16.758 -24.168 1.00 25.00 N ATOM 0 H ARG A 27 -1.217 -14.907 -25.328 1.00 25.00 H new ATOM 0 HA ARG A 27 -0.170 -17.635 -25.809 1.00 25.00 H new ATOM 0 HB2 ARG A 27 -2.895 -16.511 -26.509 1.00 25.00 H new ATOM 0 HB3 ARG A 27 -2.196 -17.861 -27.381 1.00 25.00 H new ATOM 0 HG2 ARG A 27 -1.960 -19.116 -25.221 1.00 25.00 H new ATOM 0 HG3 ARG A 27 -2.698 -17.772 -24.372 1.00 25.00 H new ATOM 0 HD2 ARG A 27 -4.101 -19.248 -26.626 1.00 25.00 H new ATOM 0 HD3 ARG A 27 -4.224 -19.746 -24.951 1.00 25.00 H new ATOM 0 HE ARG A 27 -5.438 -17.357 -26.191 1.00 25.00 H new ATOM 0 HH11 ARG A 27 -4.657 -18.970 -23.112 1.00 25.00 H new ATOM 0 HH12 ARG A 27 -5.880 -18.044 -22.235 1.00 25.00 H new ATOM 0 HH21 ARG A 27 -6.948 -16.262 -25.015 1.00 25.00 H new ATOM 0 HH22 ARG A 27 -7.137 -16.556 -23.283 1.00 25.00 H new ATOM 423 N LYS A 28 0.312 -17.102 -28.248 1.00 25.00 N ATOM 424 CA LYS A 28 0.942 -16.700 -29.499 1.00 25.00 C ATOM 425 C LYS A 28 -0.069 -15.899 -30.290 1.00 25.00 C ATOM 426 O LYS A 28 -1.227 -16.285 -30.407 1.00 25.00 O ATOM 427 CB LYS A 28 1.432 -17.929 -30.294 1.00 25.00 C ATOM 428 CG LYS A 28 0.387 -19.018 -30.531 1.00 25.00 C ATOM 429 CD LYS A 28 1.041 -20.254 -31.130 1.00 25.00 C ATOM 430 CE LYS A 28 0.076 -21.441 -31.175 1.00 25.00 C ATOM 431 NZ LYS A 28 -1.067 -21.216 -32.127 1.00 25.00 N ATOM 0 H LYS A 28 0.272 -18.111 -28.106 1.00 25.00 H new ATOM 0 HA LYS A 28 1.822 -16.090 -29.297 1.00 25.00 H new ATOM 0 HB2 LYS A 28 1.804 -17.590 -31.261 1.00 25.00 H new ATOM 0 HB3 LYS A 28 2.277 -18.369 -29.764 1.00 25.00 H new ATOM 0 HG2 LYS A 28 -0.100 -19.275 -29.590 1.00 25.00 H new ATOM 0 HG3 LYS A 28 -0.389 -18.648 -31.201 1.00 25.00 H new ATOM 0 HD2 LYS A 28 1.388 -20.029 -32.138 1.00 25.00 H new ATOM 0 HD3 LYS A 28 1.919 -20.521 -30.543 1.00 25.00 H new ATOM 0 HE2 LYS A 28 0.621 -22.337 -31.471 1.00 25.00 H new ATOM 0 HE3 LYS A 28 -0.318 -21.623 -30.175 1.00 25.00 H new ATOM 0 HZ1 LYS A 28 -1.692 -22.047 -32.122 1.00 25.00 H new ATOM 0 HZ2 LYS A 28 -1.605 -20.376 -31.831 1.00 25.00 H new ATOM 0 HZ3 LYS A 28 -0.695 -21.069 -33.087 1.00 25.00 H new ATOM 445 N GLY A 29 0.370 -14.763 -30.799 1.00 25.00 N ATOM 446 CA GLY A 29 -0.507 -13.877 -31.541 1.00 25.00 C ATOM 447 C GLY A 29 -0.934 -12.662 -30.745 1.00 25.00 C ATOM 448 O GLY A 29 -1.286 -11.645 -31.336 1.00 25.00 O ATOM 0 H GLY A 29 1.331 -14.432 -30.712 1.00 25.00 H new ATOM 0 HA2 GLY A 29 0.000 -13.550 -32.449 1.00 25.00 H new ATOM 0 HA3 GLY A 29 -1.393 -14.430 -31.853 1.00 25.00 H new ATOM 452 N ASP A 30 -0.894 -12.762 -29.421 1.00 25.00 N ATOM 453 CA ASP A 30 -1.339 -11.677 -28.540 1.00 25.00 C ATOM 454 C ASP A 30 -0.274 -10.580 -28.473 1.00 25.00 C ATOM 455 O ASP A 30 0.873 -10.797 -28.864 1.00 25.00 O ATOM 456 CB ASP A 30 -1.613 -12.239 -27.140 1.00 25.00 C ATOM 457 CG ASP A 30 -2.730 -11.512 -26.424 1.00 25.00 C ATOM 458 OD1 ASP A 30 -3.059 -10.366 -26.803 1.00 25.00 O ATOM 459 OD2 ASP A 30 -3.317 -12.115 -25.503 1.00 25.00 O ATOM 0 H ASP A 30 -0.556 -13.588 -28.927 1.00 25.00 H new ATOM 0 HA ASP A 30 -2.256 -11.242 -28.938 1.00 25.00 H new ATOM 0 HB2 ASP A 30 -1.867 -13.296 -27.221 1.00 25.00 H new ATOM 0 HB3 ASP A 30 -0.703 -12.175 -26.543 1.00 25.00 H new ATOM 464 N ILE A 31 -0.657 -9.401 -28.006 1.00 25.00 N ATOM 465 CA ILE A 31 0.241 -8.251 -27.923 1.00 25.00 C ATOM 466 C ILE A 31 0.151 -7.664 -26.523 1.00 25.00 C ATOM 467 O ILE A 31 -0.936 -7.454 -25.999 1.00 25.00 O ATOM 468 CB ILE A 31 -0.113 -7.162 -28.995 1.00 25.00 C ATOM 469 CG1 ILE A 31 0.206 -7.684 -30.412 1.00 25.00 C ATOM 470 CG2 ILE A 31 0.708 -5.868 -28.769 1.00 25.00 C ATOM 471 CD1 ILE A 31 -0.957 -8.295 -31.156 1.00 25.00 C ATOM 0 H ILE A 31 -1.602 -9.211 -27.672 1.00 25.00 H new ATOM 0 HA ILE A 31 1.259 -8.583 -28.127 1.00 25.00 H new ATOM 0 HB ILE A 31 -1.176 -6.944 -28.897 1.00 25.00 H new ATOM 0 HG12 ILE A 31 0.600 -6.858 -31.004 1.00 25.00 H new ATOM 0 HG13 ILE A 31 0.998 -8.429 -30.336 1.00 25.00 H new ATOM 0 HG21 ILE A 31 0.442 -5.131 -29.527 1.00 25.00 H new ATOM 0 HG22 ILE A 31 0.489 -5.466 -27.780 1.00 25.00 H new ATOM 0 HG23 ILE A 31 1.772 -6.095 -28.841 1.00 25.00 H new ATOM 0 HD11 ILE A 31 -0.625 -8.629 -32.139 1.00 25.00 H new ATOM 0 HD12 ILE A 31 -1.342 -9.146 -30.594 1.00 25.00 H new ATOM 0 HD13 ILE A 31 -1.745 -7.551 -31.273 1.00 25.00 H new ATOM 483 N MET A 32 1.305 -7.415 -25.928 1.00 25.00 N ATOM 484 CA MET A 32 1.399 -6.923 -24.553 1.00 25.00 C ATOM 485 C MET A 32 2.380 -5.759 -24.466 1.00 25.00 C ATOM 486 O MET A 32 3.290 -5.633 -25.289 1.00 25.00 O ATOM 487 CB MET A 32 1.847 -8.069 -23.649 1.00 25.00 C ATOM 488 CG MET A 32 3.230 -8.605 -23.996 1.00 25.00 C ATOM 489 SD MET A 32 3.484 -10.236 -23.316 1.00 25.00 S ATOM 490 CE MET A 32 2.602 -11.233 -24.513 1.00 25.00 C ATOM 0 H MET A 32 2.209 -7.547 -26.381 1.00 25.00 H new ATOM 0 HA MET A 32 0.423 -6.561 -24.228 1.00 25.00 H new ATOM 0 HB2 MET A 32 1.847 -7.727 -22.614 1.00 25.00 H new ATOM 0 HB3 MET A 32 1.123 -8.881 -23.717 1.00 25.00 H new ATOM 0 HG2 MET A 32 3.348 -8.638 -25.079 1.00 25.00 H new ATOM 0 HG3 MET A 32 3.992 -7.926 -23.613 1.00 25.00 H new ATOM 0 HE1 MET A 32 2.995 -12.250 -24.500 1.00 25.00 H new ATOM 0 HE2 MET A 32 1.542 -11.251 -24.261 1.00 25.00 H new ATOM 0 HE3 MET A 32 2.731 -10.807 -25.508 1.00 25.00 H new ATOM 500 N THR A 33 2.178 -4.892 -23.481 1.00 25.00 N ATOM 501 CA THR A 33 3.041 -3.732 -23.272 1.00 25.00 C ATOM 502 C THR A 33 4.206 -4.127 -22.375 1.00 25.00 C ATOM 503 O THR A 33 3.991 -4.737 -21.337 1.00 25.00 O ATOM 504 CB THR A 33 2.251 -2.586 -22.588 1.00 25.00 C ATOM 505 OG1 THR A 33 1.060 -2.338 -23.337 1.00 25.00 O ATOM 506 CG2 THR A 33 3.059 -1.296 -22.561 1.00 25.00 C ATOM 0 H THR A 33 1.416 -4.971 -22.807 1.00 25.00 H new ATOM 0 HA THR A 33 3.406 -3.389 -24.240 1.00 25.00 H new ATOM 0 HB THR A 33 2.028 -2.890 -21.565 1.00 25.00 H new ATOM 0 HG1 THR A 33 0.551 -1.616 -22.913 1.00 25.00 H new ATOM 0 HG21 THR A 33 2.477 -0.512 -22.075 1.00 25.00 H new ATOM 0 HG22 THR A 33 3.984 -1.458 -22.007 1.00 25.00 H new ATOM 0 HG23 THR A 33 3.295 -0.993 -23.581 1.00 25.00 H new ATOM 514 N VAL A 34 5.424 -3.793 -22.768 1.00 25.00 N ATOM 515 CA VAL A 34 6.613 -4.084 -21.954 1.00 25.00 C ATOM 516 C VAL A 34 6.947 -2.837 -21.141 1.00 25.00 C ATOM 517 O VAL A 34 7.115 -1.739 -21.688 1.00 25.00 O ATOM 518 CB VAL A 34 7.840 -4.463 -22.828 1.00 25.00 C ATOM 519 CG1 VAL A 34 9.109 -4.644 -21.965 1.00 25.00 C ATOM 520 CG2 VAL A 34 7.578 -5.762 -23.610 1.00 25.00 C ATOM 0 H VAL A 34 5.625 -3.318 -23.648 1.00 25.00 H new ATOM 0 HA VAL A 34 6.392 -4.935 -21.310 1.00 25.00 H new ATOM 0 HB VAL A 34 7.999 -3.643 -23.528 1.00 25.00 H new ATOM 0 HG11 VAL A 34 9.950 -4.909 -22.606 1.00 25.00 H new ATOM 0 HG12 VAL A 34 9.330 -3.713 -21.443 1.00 25.00 H new ATOM 0 HG13 VAL A 34 8.944 -5.438 -21.237 1.00 25.00 H new ATOM 0 HG21 VAL A 34 8.452 -6.006 -24.214 1.00 25.00 H new ATOM 0 HG22 VAL A 34 7.382 -6.575 -22.910 1.00 25.00 H new ATOM 0 HG23 VAL A 34 6.714 -5.627 -24.260 1.00 25.00 H new ATOM 530 N LEU A 35 7.016 -3.006 -19.831 1.00 25.00 N ATOM 531 CA LEU A 35 7.286 -1.905 -18.916 1.00 25.00 C ATOM 532 C LEU A 35 8.757 -1.817 -18.546 1.00 25.00 C ATOM 533 O LEU A 35 9.320 -0.726 -18.464 1.00 25.00 O ATOM 534 CB LEU A 35 6.476 -2.087 -17.626 1.00 25.00 C ATOM 535 CG LEU A 35 4.941 -2.092 -17.742 1.00 25.00 C ATOM 536 CD1 LEU A 35 4.349 -2.320 -16.350 1.00 25.00 C ATOM 537 CD2 LEU A 35 4.411 -0.776 -18.324 1.00 25.00 C ATOM 0 H LEU A 35 6.887 -3.907 -19.371 1.00 25.00 H new ATOM 0 HA LEU A 35 6.999 -0.987 -19.429 1.00 25.00 H new ATOM 0 HB2 LEU A 35 6.781 -3.028 -17.168 1.00 25.00 H new ATOM 0 HB3 LEU A 35 6.758 -1.291 -16.937 1.00 25.00 H new ATOM 0 HG LEU A 35 4.644 -2.891 -18.421 1.00 25.00 H new ATOM 0 HD11 LEU A 35 3.261 -2.326 -16.414 1.00 25.00 H new ATOM 0 HD12 LEU A 35 4.695 -3.277 -15.960 1.00 25.00 H new ATOM 0 HD13 LEU A 35 4.669 -1.519 -15.683 1.00 25.00 H new ATOM 0 HD21 LEU A 35 3.324 -0.819 -18.390 1.00 25.00 H new ATOM 0 HD22 LEU A 35 4.703 0.051 -17.677 1.00 25.00 H new ATOM 0 HD23 LEU A 35 4.829 -0.624 -19.319 1.00 25.00 H new ATOM 549 N GLU A 36 9.360 -2.973 -18.293 1.00 25.00 N ATOM 550 CA GLU A 36 10.735 -3.054 -17.801 1.00 25.00 C ATOM 551 C GLU A 36 11.397 -4.310 -18.375 1.00 25.00 C ATOM 552 O GLU A 36 10.702 -5.239 -18.781 1.00 25.00 O ATOM 553 CB GLU A 36 10.723 -3.091 -16.263 1.00 25.00 C ATOM 554 CG GLU A 36 12.096 -2.954 -15.592 1.00 25.00 C ATOM 555 CD GLU A 36 12.850 -1.719 -16.063 1.00 25.00 C ATOM 556 OE1 GLU A 36 13.485 -1.781 -17.152 1.00 25.00 O ATOM 557 OE2 GLU A 36 12.775 -0.674 -15.383 1.00 25.00 O ATOM 0 H GLU A 36 8.912 -3.880 -18.422 1.00 25.00 H new ATOM 0 HA GLU A 36 11.305 -2.182 -18.120 1.00 25.00 H new ATOM 0 HB2 GLU A 36 10.079 -2.289 -15.902 1.00 25.00 H new ATOM 0 HB3 GLU A 36 10.273 -4.030 -15.942 1.00 25.00 H new ATOM 0 HG2 GLU A 36 11.966 -2.907 -14.511 1.00 25.00 H new ATOM 0 HG3 GLU A 36 12.691 -3.842 -15.803 1.00 25.00 H new ATOM 564 N ARG A 37 12.725 -4.355 -18.393 1.00 25.00 N ATOM 565 CA ARG A 37 13.468 -5.527 -18.876 1.00 25.00 C ATOM 566 C ARG A 37 14.505 -5.889 -17.824 1.00 25.00 C ATOM 567 O ARG A 37 14.935 -5.022 -17.088 1.00 25.00 O ATOM 568 CB ARG A 37 14.165 -5.223 -20.199 1.00 25.00 C ATOM 569 CG ARG A 37 13.223 -4.791 -21.320 1.00 25.00 C ATOM 570 CD ARG A 37 13.933 -4.752 -22.685 1.00 25.00 C ATOM 571 NE ARG A 37 15.195 -3.995 -22.633 1.00 25.00 N ATOM 572 CZ ARG A 37 16.417 -4.532 -22.621 1.00 25.00 C ATOM 573 NH1 ARG A 37 16.617 -5.824 -22.683 1.00 25.00 N ATOM 574 NH2 ARG A 37 17.458 -3.745 -22.534 1.00 25.00 N ATOM 0 H ARG A 37 13.319 -3.588 -18.077 1.00 25.00 H new ATOM 0 HA ARG A 37 12.778 -6.354 -19.043 1.00 25.00 H new ATOM 0 HB2 ARG A 37 14.902 -4.436 -20.036 1.00 25.00 H new ATOM 0 HB3 ARG A 37 14.711 -6.110 -20.521 1.00 25.00 H new ATOM 0 HG2 ARG A 37 12.379 -5.479 -21.370 1.00 25.00 H new ATOM 0 HG3 ARG A 37 12.818 -3.805 -21.094 1.00 25.00 H new ATOM 0 HD2 ARG A 37 14.135 -5.770 -23.017 1.00 25.00 H new ATOM 0 HD3 ARG A 37 13.271 -4.301 -23.424 1.00 25.00 H new ATOM 0 HE ARG A 37 15.130 -2.977 -22.604 1.00 25.00 H new ATOM 0 HH11 ARG A 37 15.822 -6.461 -22.743 1.00 25.00 H new ATOM 0 HH12 ARG A 37 17.567 -6.194 -22.671 1.00 25.00 H new ATOM 0 HH21 ARG A 37 17.330 -2.735 -22.476 1.00 25.00 H new ATOM 0 HH22 ARG A 37 18.398 -4.142 -22.524 1.00 25.00 H new ATOM 588 N ASP A 38 14.854 -7.171 -17.755 1.00 25.00 N ATOM 589 CA ASP A 38 15.758 -7.722 -16.723 1.00 25.00 C ATOM 590 C ASP A 38 15.138 -7.439 -15.352 1.00 25.00 C ATOM 591 O ASP A 38 15.796 -7.084 -14.378 1.00 25.00 O ATOM 592 CB ASP A 38 17.184 -7.166 -16.854 1.00 25.00 C ATOM 593 CG ASP A 38 18.213 -8.056 -16.182 1.00 25.00 C ATOM 594 OD1 ASP A 38 19.423 -7.889 -16.451 1.00 25.00 O ATOM 595 OD2 ASP A 38 17.809 -8.955 -15.419 1.00 25.00 O ATOM 0 H ASP A 38 14.519 -7.872 -18.416 1.00 25.00 H new ATOM 0 HA ASP A 38 15.861 -8.799 -16.854 1.00 25.00 H new ATOM 0 HB2 ASP A 38 17.434 -7.058 -17.909 1.00 25.00 H new ATOM 0 HB3 ASP A 38 17.225 -6.170 -16.413 1.00 25.00 H new ATOM 600 N THR A 39 13.825 -7.592 -15.317 1.00 25.00 N ATOM 601 CA THR A 39 13.026 -7.264 -14.140 1.00 25.00 C ATOM 602 C THR A 39 13.233 -8.251 -12.986 1.00 25.00 C ATOM 603 O THR A 39 12.800 -7.997 -11.865 1.00 25.00 O ATOM 604 CB THR A 39 11.518 -7.248 -14.517 1.00 25.00 C ATOM 605 OG1 THR A 39 10.743 -6.746 -13.428 1.00 25.00 O ATOM 606 CG2 THR A 39 11.013 -8.651 -14.873 1.00 25.00 C ATOM 0 H THR A 39 13.279 -7.947 -16.102 1.00 25.00 H new ATOM 0 HA THR A 39 13.355 -6.282 -13.802 1.00 25.00 H new ATOM 0 HB THR A 39 11.408 -6.602 -15.388 1.00 25.00 H new ATOM 0 HG1 THR A 39 11.113 -7.077 -12.583 1.00 25.00 H new ATOM 0 HG21 THR A 39 9.955 -8.602 -15.131 1.00 25.00 H new ATOM 0 HG22 THR A 39 11.577 -9.036 -15.723 1.00 25.00 H new ATOM 0 HG23 THR A 39 11.148 -9.314 -14.018 1.00 25.00 H new ATOM 614 N GLN A 40 13.852 -9.390 -13.276 1.00 25.00 N ATOM 615 CA GLN A 40 13.977 -10.481 -12.307 1.00 25.00 C ATOM 616 C GLN A 40 15.432 -10.828 -11.983 1.00 25.00 C ATOM 617 O GLN A 40 15.695 -11.804 -11.290 1.00 25.00 O ATOM 618 CB GLN A 40 13.273 -11.724 -12.882 1.00 25.00 C ATOM 619 CG GLN A 40 12.552 -12.589 -11.831 1.00 25.00 C ATOM 620 CD GLN A 40 11.195 -12.033 -11.435 1.00 25.00 C ATOM 621 OE1 GLN A 40 10.858 -10.903 -11.738 1.00 25.00 O ATOM 622 NE2 GLN A 40 10.410 -12.832 -10.758 1.00 25.00 N ATOM 0 H GLN A 40 14.279 -9.586 -14.181 1.00 25.00 H new ATOM 0 HA GLN A 40 13.515 -10.154 -11.375 1.00 25.00 H new ATOM 0 HB2 GLN A 40 12.548 -11.403 -13.630 1.00 25.00 H new ATOM 0 HB3 GLN A 40 14.011 -12.339 -13.397 1.00 25.00 H new ATOM 0 HG2 GLN A 40 12.425 -13.598 -12.224 1.00 25.00 H new ATOM 0 HG3 GLN A 40 13.179 -12.670 -10.943 1.00 25.00 H new ATOM 0 HE21 GLN A 40 10.723 -13.773 -10.520 1.00 25.00 H new ATOM 0 HE22 GLN A 40 9.485 -12.513 -10.468 1.00 25.00 H new ATOM 631 N GLY A 41 16.376 -10.059 -12.520 1.00 25.00 N ATOM 632 CA GLY A 41 17.782 -10.394 -12.345 1.00 25.00 C ATOM 633 C GLY A 41 18.178 -11.491 -13.307 1.00 25.00 C ATOM 634 O GLY A 41 19.159 -12.203 -13.110 1.00 25.00 O ATOM 0 H GLY A 41 16.197 -9.218 -13.068 1.00 25.00 H new ATOM 0 HA2 GLY A 41 18.398 -9.511 -12.515 1.00 25.00 H new ATOM 0 HA3 GLY A 41 17.962 -10.716 -11.319 1.00 25.00 H new ATOM 638 N LEU A 42 17.375 -11.630 -14.354 1.00 25.00 N ATOM 639 CA LEU A 42 17.598 -12.594 -15.417 1.00 25.00 C ATOM 640 C LEU A 42 17.497 -11.821 -16.724 1.00 25.00 C ATOM 641 O LEU A 42 16.405 -11.356 -17.093 1.00 25.00 O ATOM 642 CB LEU A 42 16.514 -13.685 -15.385 1.00 25.00 C ATOM 643 CG LEU A 42 16.435 -14.579 -14.135 1.00 25.00 C ATOM 644 CD1 LEU A 42 15.174 -15.444 -14.203 1.00 25.00 C ATOM 645 CD2 LEU A 42 17.675 -15.476 -14.011 1.00 25.00 C ATOM 0 H LEU A 42 16.537 -11.065 -14.488 1.00 25.00 H new ATOM 0 HA LEU A 42 18.568 -13.079 -15.306 1.00 25.00 H new ATOM 0 HB2 LEU A 42 15.546 -13.200 -15.512 1.00 25.00 H new ATOM 0 HB3 LEU A 42 16.663 -14.331 -16.250 1.00 25.00 H new ATOM 0 HG LEU A 42 16.395 -13.935 -13.256 1.00 25.00 H new ATOM 0 HD11 LEU A 42 15.119 -16.077 -13.317 1.00 25.00 H new ATOM 0 HD12 LEU A 42 14.294 -14.802 -14.246 1.00 25.00 H new ATOM 0 HD13 LEU A 42 15.210 -16.070 -15.095 1.00 25.00 H new ATOM 0 HD21 LEU A 42 17.588 -16.095 -13.118 1.00 25.00 H new ATOM 0 HD22 LEU A 42 17.751 -16.116 -14.890 1.00 25.00 H new ATOM 0 HD23 LEU A 42 18.568 -14.855 -13.937 1.00 25.00 H new ATOM 657 N ASP A 43 18.596 -11.707 -17.451 1.00 25.00 N ATOM 658 CA ASP A 43 18.551 -11.016 -18.734 1.00 25.00 C ATOM 659 C ASP A 43 17.655 -11.826 -19.658 1.00 25.00 C ATOM 660 O ASP A 43 17.622 -13.061 -19.623 1.00 25.00 O ATOM 661 CB ASP A 43 19.937 -10.844 -19.360 1.00 25.00 C ATOM 662 CG ASP A 43 19.914 -9.918 -20.574 1.00 25.00 C ATOM 663 OD1 ASP A 43 18.905 -9.180 -20.778 1.00 25.00 O ATOM 664 OD2 ASP A 43 20.889 -9.942 -21.356 1.00 25.00 O ATOM 0 H ASP A 43 19.510 -12.073 -17.186 1.00 25.00 H new ATOM 0 HA ASP A 43 18.160 -10.010 -18.580 1.00 25.00 H new ATOM 0 HB2 ASP A 43 20.623 -10.444 -18.614 1.00 25.00 H new ATOM 0 HB3 ASP A 43 20.323 -11.819 -19.657 1.00 25.00 H new ATOM 669 N GLY A 44 16.882 -11.117 -20.456 1.00 25.00 N ATOM 670 CA GLY A 44 15.936 -11.752 -21.350 1.00 25.00 C ATOM 671 C GLY A 44 14.537 -11.862 -20.768 1.00 25.00 C ATOM 672 O GLY A 44 13.614 -12.068 -21.522 1.00 25.00 O ATOM 0 H GLY A 44 16.891 -10.098 -20.503 1.00 25.00 H new ATOM 0 HA2 GLY A 44 15.891 -11.187 -22.281 1.00 25.00 H new ATOM 0 HA3 GLY A 44 16.297 -12.750 -21.600 1.00 25.00 H new ATOM 676 N TRP A 45 14.352 -11.687 -19.466 1.00 25.00 N ATOM 677 CA TRP A 45 13.000 -11.716 -18.884 1.00 25.00 C ATOM 678 C TRP A 45 12.491 -10.294 -18.691 1.00 25.00 C ATOM 679 O TRP A 45 13.179 -9.456 -18.114 1.00 25.00 O ATOM 680 CB TRP A 45 13.004 -12.472 -17.559 1.00 25.00 C ATOM 681 CG TRP A 45 13.130 -13.943 -17.783 1.00 25.00 C ATOM 682 CD1 TRP A 45 14.269 -14.652 -17.977 1.00 25.00 C ATOM 683 CD2 TRP A 45 12.064 -14.908 -17.851 1.00 25.00 C ATOM 684 NE1 TRP A 45 14.014 -15.975 -18.161 1.00 25.00 N ATOM 685 CE2 TRP A 45 12.663 -16.179 -18.090 1.00 25.00 C ATOM 686 CE3 TRP A 45 10.663 -14.831 -17.725 1.00 25.00 C ATOM 687 CZ2 TRP A 45 11.905 -17.360 -18.204 1.00 25.00 C ATOM 688 CZ3 TRP A 45 9.894 -16.020 -17.824 1.00 25.00 C ATOM 689 CH2 TRP A 45 10.530 -17.271 -18.069 1.00 25.00 C ATOM 0 H TRP A 45 15.103 -11.525 -18.795 1.00 25.00 H new ATOM 0 HA TRP A 45 12.331 -12.238 -19.568 1.00 25.00 H new ATOM 0 HB2 TRP A 45 13.830 -12.123 -16.939 1.00 25.00 H new ATOM 0 HB3 TRP A 45 12.085 -12.261 -17.013 1.00 25.00 H new ATOM 0 HD1 TRP A 45 15.258 -14.219 -17.985 1.00 25.00 H new ATOM 0 HE1 TRP A 45 14.715 -16.697 -18.325 1.00 25.00 H new ATOM 0 HE3 TRP A 45 10.180 -13.880 -17.555 1.00 25.00 H new ATOM 0 HZ2 TRP A 45 12.383 -18.310 -18.392 1.00 25.00 H new ATOM 0 HZ3 TRP A 45 8.821 -15.976 -17.713 1.00 25.00 H new ATOM 0 HH2 TRP A 45 9.929 -18.165 -18.151 1.00 25.00 H new ATOM 700 N TRP A 46 11.325 -9.997 -19.248 1.00 25.00 N ATOM 701 CA TRP A 46 10.808 -8.629 -19.261 1.00 25.00 C ATOM 702 C TRP A 46 9.478 -8.570 -18.525 1.00 25.00 C ATOM 703 O TRP A 46 8.700 -9.516 -18.569 1.00 25.00 O ATOM 704 CB TRP A 46 10.622 -8.164 -20.709 1.00 25.00 C ATOM 705 CG TRP A 46 11.878 -8.264 -21.585 1.00 25.00 C ATOM 706 CD1 TRP A 46 13.162 -8.517 -21.195 1.00 25.00 C ATOM 707 CD2 TRP A 46 11.944 -8.120 -23.013 1.00 25.00 C ATOM 708 NE1 TRP A 46 14.014 -8.564 -22.251 1.00 25.00 N ATOM 709 CE2 TRP A 46 13.308 -8.317 -23.393 1.00 25.00 C ATOM 710 CE3 TRP A 46 10.991 -7.853 -24.016 1.00 25.00 C ATOM 711 CZ2 TRP A 46 13.734 -8.256 -24.737 1.00 25.00 C ATOM 712 CZ3 TRP A 46 11.413 -7.797 -25.372 1.00 25.00 C ATOM 713 CH2 TRP A 46 12.783 -7.998 -25.712 1.00 25.00 C ATOM 0 H TRP A 46 10.717 -10.682 -19.697 1.00 25.00 H new ATOM 0 HA TRP A 46 11.519 -7.972 -18.760 1.00 25.00 H new ATOM 0 HB2 TRP A 46 9.829 -8.756 -21.167 1.00 25.00 H new ATOM 0 HB3 TRP A 46 10.283 -7.128 -20.702 1.00 25.00 H new ATOM 0 HD1 TRP A 46 13.464 -8.662 -20.168 1.00 25.00 H new ATOM 0 HE1 TRP A 46 15.015 -8.753 -22.200 1.00 25.00 H new ATOM 0 HE3 TRP A 46 9.955 -7.693 -23.758 1.00 25.00 H new ATOM 0 HZ2 TRP A 46 14.771 -8.406 -24.998 1.00 25.00 H new ATOM 0 HZ3 TRP A 46 10.691 -7.601 -26.151 1.00 25.00 H new ATOM 0 HH2 TRP A 46 13.085 -7.948 -26.748 1.00 25.00 H new ATOM 724 N LEU A 47 9.206 -7.452 -17.867 1.00 25.00 N ATOM 725 CA LEU A 47 7.932 -7.256 -17.183 1.00 25.00 C ATOM 726 C LEU A 47 6.944 -6.730 -18.198 1.00 25.00 C ATOM 727 O LEU A 47 7.124 -5.630 -18.734 1.00 25.00 O ATOM 728 CB LEU A 47 8.076 -6.242 -16.041 1.00 25.00 C ATOM 729 CG LEU A 47 6.810 -5.985 -15.213 1.00 25.00 C ATOM 730 CD1 LEU A 47 6.384 -7.240 -14.445 1.00 25.00 C ATOM 731 CD2 LEU A 47 7.065 -4.841 -14.238 1.00 25.00 C ATOM 0 H LEU A 47 9.850 -6.665 -17.791 1.00 25.00 H new ATOM 0 HA LEU A 47 7.594 -8.200 -16.756 1.00 25.00 H new ATOM 0 HB2 LEU A 47 8.862 -6.588 -15.370 1.00 25.00 H new ATOM 0 HB3 LEU A 47 8.411 -5.294 -16.462 1.00 25.00 H new ATOM 0 HG LEU A 47 6.002 -5.717 -15.894 1.00 25.00 H new ATOM 0 HD11 LEU A 47 5.484 -7.026 -13.868 1.00 25.00 H new ATOM 0 HD12 LEU A 47 6.180 -8.046 -15.150 1.00 25.00 H new ATOM 0 HD13 LEU A 47 7.184 -7.543 -13.770 1.00 25.00 H new ATOM 0 HD21 LEU A 47 6.166 -4.658 -13.649 1.00 25.00 H new ATOM 0 HD22 LEU A 47 7.887 -5.106 -13.573 1.00 25.00 H new ATOM 0 HD23 LEU A 47 7.325 -3.940 -14.794 1.00 25.00 H new ATOM 743 N CYS A 48 5.906 -7.493 -18.473 1.00 25.00 N ATOM 744 CA CYS A 48 4.889 -7.083 -19.422 1.00 25.00 C ATOM 745 C CYS A 48 3.548 -6.893 -18.724 1.00 25.00 C ATOM 746 O CYS A 48 3.376 -7.299 -17.582 1.00 25.00 O ATOM 747 CB CYS A 48 4.775 -8.143 -20.513 1.00 25.00 C ATOM 748 SG CYS A 48 6.350 -8.432 -21.339 1.00 25.00 S ATOM 0 H CYS A 48 5.743 -8.407 -18.050 1.00 25.00 H new ATOM 0 HA CYS A 48 5.173 -6.129 -19.866 1.00 25.00 H new ATOM 0 HB2 CYS A 48 4.418 -9.076 -20.077 1.00 25.00 H new ATOM 0 HB3 CYS A 48 4.033 -7.830 -21.247 1.00 25.00 H new ATOM 0 HG CYS A 48 6.136 -8.774 -22.575 1.00 25.00 H new ATOM 754 N SER A 49 2.604 -6.271 -19.419 1.00 25.00 N ATOM 755 CA SER A 49 1.248 -6.084 -18.907 1.00 25.00 C ATOM 756 C SER A 49 0.245 -6.501 -19.968 1.00 25.00 C ATOM 757 O SER A 49 0.386 -6.147 -21.137 1.00 25.00 O ATOM 758 CB SER A 49 1.023 -4.624 -18.526 1.00 25.00 C ATOM 759 OG SER A 49 1.986 -4.218 -17.566 1.00 25.00 O ATOM 0 H SER A 49 2.754 -5.882 -20.350 1.00 25.00 H new ATOM 0 HA SER A 49 1.115 -6.701 -18.018 1.00 25.00 H new ATOM 0 HB2 SER A 49 1.093 -3.994 -19.412 1.00 25.00 H new ATOM 0 HB3 SER A 49 0.019 -4.496 -18.122 1.00 25.00 H new ATOM 0 HG SER A 49 1.558 -3.646 -16.895 1.00 25.00 H new ATOM 765 N LEU A 50 -0.739 -7.284 -19.556 1.00 25.00 N ATOM 766 CA LEU A 50 -1.756 -7.837 -20.449 1.00 25.00 C ATOM 767 C LEU A 50 -2.964 -8.253 -19.608 1.00 25.00 C ATOM 768 O LEU A 50 -2.803 -8.680 -18.472 1.00 25.00 O ATOM 769 CB LEU A 50 -1.183 -9.071 -21.164 1.00 25.00 C ATOM 770 CG LEU A 50 -2.102 -9.817 -22.145 1.00 25.00 C ATOM 771 CD1 LEU A 50 -2.467 -8.945 -23.345 1.00 25.00 C ATOM 772 CD2 LEU A 50 -1.403 -11.077 -22.606 1.00 25.00 C ATOM 0 H LEU A 50 -0.859 -7.559 -18.581 1.00 25.00 H new ATOM 0 HA LEU A 50 -2.053 -7.095 -21.190 1.00 25.00 H new ATOM 0 HB2 LEU A 50 -0.292 -8.760 -21.709 1.00 25.00 H new ATOM 0 HB3 LEU A 50 -0.859 -9.780 -20.402 1.00 25.00 H new ATOM 0 HG LEU A 50 -3.031 -10.070 -21.633 1.00 25.00 H new ATOM 0 HD11 LEU A 50 -3.117 -9.505 -24.017 1.00 25.00 H new ATOM 0 HD12 LEU A 50 -2.985 -8.050 -23.000 1.00 25.00 H new ATOM 0 HD13 LEU A 50 -1.559 -8.657 -23.875 1.00 25.00 H new ATOM 0 HD21 LEU A 50 -2.045 -11.615 -23.303 1.00 25.00 H new ATOM 0 HD22 LEU A 50 -0.469 -10.814 -23.103 1.00 25.00 H new ATOM 0 HD23 LEU A 50 -1.190 -11.711 -21.745 1.00 25.00 H new ATOM 784 N HIS A 51 -4.167 -8.124 -20.161 1.00 25.00 N ATOM 785 CA HIS A 51 -5.409 -8.566 -19.496 1.00 25.00 C ATOM 786 C HIS A 51 -5.661 -7.897 -18.127 1.00 25.00 C ATOM 787 O HIS A 51 -6.359 -8.443 -17.270 1.00 25.00 O ATOM 788 CB HIS A 51 -5.404 -10.104 -19.362 1.00 25.00 C ATOM 789 CG HIS A 51 -6.755 -10.727 -19.535 1.00 25.00 C ATOM 790 ND1 HIS A 51 -7.802 -10.559 -18.665 1.00 25.00 N ATOM 791 CD2 HIS A 51 -7.240 -11.545 -20.515 1.00 25.00 C ATOM 792 CE1 HIS A 51 -8.842 -11.252 -19.122 1.00 25.00 C ATOM 793 NE2 HIS A 51 -8.557 -11.870 -20.250 1.00 25.00 N ATOM 0 H HIS A 51 -4.318 -7.712 -21.082 1.00 25.00 H new ATOM 0 HA HIS A 51 -6.236 -8.246 -20.130 1.00 25.00 H new ATOM 0 HB2 HIS A 51 -4.723 -10.522 -20.103 1.00 25.00 H new ATOM 0 HB3 HIS A 51 -5.012 -10.373 -18.381 1.00 25.00 H new ATOM 0 HD1 HIS A 51 -7.786 -9.998 -17.813 1.00 25.00 H new ATOM 0 HD2 HIS A 51 -6.677 -11.887 -21.371 1.00 25.00 H new ATOM 0 HE1 HIS A 51 -9.802 -11.302 -18.629 1.00 25.00 H new ATOM 801 N GLY A 52 -5.091 -6.718 -17.925 1.00 25.00 N ATOM 802 CA GLY A 52 -5.279 -6.001 -16.671 1.00 25.00 C ATOM 803 C GLY A 52 -4.316 -6.438 -15.581 1.00 25.00 C ATOM 804 O GLY A 52 -4.405 -5.975 -14.451 1.00 25.00 O ATOM 0 H GLY A 52 -4.500 -6.241 -18.606 1.00 25.00 H new ATOM 0 HA2 GLY A 52 -5.155 -4.933 -16.849 1.00 25.00 H new ATOM 0 HA3 GLY A 52 -6.302 -6.150 -16.324 1.00 25.00 H new ATOM 808 N ARG A 53 -3.387 -7.321 -15.922 1.00 25.00 N ATOM 809 CA ARG A 53 -2.383 -7.824 -14.982 1.00 25.00 C ATOM 810 C ARG A 53 -1.002 -7.548 -15.519 1.00 25.00 C ATOM 811 O ARG A 53 -0.834 -7.294 -16.707 1.00 25.00 O ATOM 812 CB ARG A 53 -2.516 -9.339 -14.810 1.00 25.00 C ATOM 813 CG ARG A 53 -3.791 -9.780 -14.119 1.00 25.00 C ATOM 814 CD ARG A 53 -3.740 -11.279 -13.841 1.00 25.00 C ATOM 815 NE ARG A 53 -2.630 -11.611 -12.924 1.00 25.00 N ATOM 816 CZ ARG A 53 -2.252 -12.837 -12.577 1.00 25.00 C ATOM 817 NH1 ARG A 53 -2.873 -13.918 -12.987 1.00 25.00 N ATOM 818 NH2 ARG A 53 -1.221 -12.970 -11.812 1.00 25.00 N ATOM 0 H ARG A 53 -3.305 -7.712 -16.860 1.00 25.00 H new ATOM 0 HA ARG A 53 -2.538 -7.324 -14.026 1.00 25.00 H new ATOM 0 HB2 ARG A 53 -2.468 -9.810 -15.792 1.00 25.00 H new ATOM 0 HB3 ARG A 53 -1.662 -9.704 -14.239 1.00 25.00 H new ATOM 0 HG2 ARG A 53 -3.917 -9.232 -13.185 1.00 25.00 H new ATOM 0 HG3 ARG A 53 -4.653 -9.546 -14.744 1.00 25.00 H new ATOM 0 HD2 ARG A 53 -4.685 -11.604 -13.406 1.00 25.00 H new ATOM 0 HD3 ARG A 53 -3.617 -11.822 -14.778 1.00 25.00 H new ATOM 0 HE ARG A 53 -2.109 -10.832 -12.522 1.00 25.00 H new ATOM 0 HH11 ARG A 53 -3.684 -13.839 -13.600 1.00 25.00 H new ATOM 0 HH12 ARG A 53 -2.544 -14.838 -12.693 1.00 25.00 H new ATOM 0 HH21 ARG A 53 -0.717 -12.145 -11.488 1.00 25.00 H new ATOM 0 HH22 ARG A 53 -0.911 -13.900 -11.531 1.00 25.00 H new ATOM 832 N GLN A 54 -0.016 -7.641 -14.652 1.00 25.00 N ATOM 833 CA GLN A 54 1.377 -7.525 -15.042 1.00 25.00 C ATOM 834 C GLN A 54 2.019 -8.855 -14.695 1.00 25.00 C ATOM 835 O GLN A 54 1.526 -9.560 -13.810 1.00 25.00 O ATOM 836 CB GLN A 54 2.065 -6.384 -14.286 1.00 25.00 C ATOM 837 CG GLN A 54 1.385 -5.024 -14.451 1.00 25.00 C ATOM 838 CD GLN A 54 0.505 -4.651 -13.270 1.00 25.00 C ATOM 839 OE1 GLN A 54 -0.239 -5.459 -12.745 1.00 25.00 O ATOM 840 NE2 GLN A 54 0.586 -3.413 -12.856 1.00 25.00 N ATOM 0 H GLN A 54 -0.156 -7.800 -13.654 1.00 25.00 H new ATOM 0 HA GLN A 54 1.471 -7.298 -16.104 1.00 25.00 H new ATOM 0 HB2 GLN A 54 2.099 -6.634 -13.226 1.00 25.00 H new ATOM 0 HB3 GLN A 54 3.097 -6.306 -14.629 1.00 25.00 H new ATOM 0 HG2 GLN A 54 2.148 -4.257 -14.585 1.00 25.00 H new ATOM 0 HG3 GLN A 54 0.781 -5.034 -15.358 1.00 25.00 H new ATOM 0 HE21 GLN A 54 1.220 -2.761 -13.318 1.00 25.00 H new ATOM 0 HE22 GLN A 54 0.015 -3.099 -12.071 1.00 25.00 H new ATOM 849 N GLY A 55 3.090 -9.203 -15.383 1.00 25.00 N ATOM 850 CA GLY A 55 3.795 -10.441 -15.109 1.00 25.00 C ATOM 851 C GLY A 55 5.032 -10.583 -15.965 1.00 25.00 C ATOM 852 O GLY A 55 5.196 -9.865 -16.960 1.00 25.00 O ATOM 0 H GLY A 55 3.491 -8.645 -16.137 1.00 25.00 H new ATOM 0 HA2 GLY A 55 4.076 -10.474 -14.056 1.00 25.00 H new ATOM 0 HA3 GLY A 55 3.130 -11.286 -15.288 1.00 25.00 H new ATOM 856 N ILE A 56 5.929 -11.469 -15.570 1.00 25.00 N ATOM 857 CA ILE A 56 7.173 -11.669 -16.307 1.00 25.00 C ATOM 858 C ILE A 56 6.931 -12.512 -17.552 1.00 25.00 C ATOM 859 O ILE A 56 6.053 -13.383 -17.577 1.00 25.00 O ATOM 860 CB ILE A 56 8.288 -12.303 -15.410 1.00 25.00 C ATOM 861 CG1 ILE A 56 7.956 -13.762 -15.023 1.00 25.00 C ATOM 862 CG2 ILE A 56 8.473 -11.444 -14.138 1.00 25.00 C ATOM 863 CD1 ILE A 56 9.098 -14.502 -14.287 1.00 25.00 C ATOM 0 H ILE A 56 5.824 -12.062 -14.746 1.00 25.00 H new ATOM 0 HA ILE A 56 7.530 -10.687 -16.618 1.00 25.00 H new ATOM 0 HB ILE A 56 9.215 -12.322 -15.984 1.00 25.00 H new ATOM 0 HG12 ILE A 56 7.070 -13.764 -14.389 1.00 25.00 H new ATOM 0 HG13 ILE A 56 7.703 -14.316 -15.927 1.00 25.00 H new ATOM 0 HG21 ILE A 56 9.249 -11.884 -13.512 1.00 25.00 H new ATOM 0 HG22 ILE A 56 8.765 -10.433 -14.421 1.00 25.00 H new ATOM 0 HG23 ILE A 56 7.536 -11.409 -13.583 1.00 25.00 H new ATOM 0 HD11 ILE A 56 8.781 -15.518 -14.053 1.00 25.00 H new ATOM 0 HD12 ILE A 56 9.981 -14.535 -14.925 1.00 25.00 H new ATOM 0 HD13 ILE A 56 9.338 -13.975 -13.364 1.00 25.00 H new ATOM 875 N VAL A 57 7.682 -12.200 -18.600 1.00 25.00 N ATOM 876 CA VAL A 57 7.571 -12.878 -19.890 1.00 25.00 C ATOM 877 C VAL A 57 8.963 -12.970 -20.510 1.00 25.00 C ATOM 878 O VAL A 57 9.693 -11.971 -20.536 1.00 25.00 O ATOM 879 CB VAL A 57 6.672 -12.047 -20.864 1.00 25.00 C ATOM 880 CG1 VAL A 57 6.613 -12.686 -22.244 1.00 25.00 C ATOM 881 CG2 VAL A 57 5.260 -11.882 -20.299 1.00 25.00 C ATOM 0 H VAL A 57 8.390 -11.466 -18.582 1.00 25.00 H new ATOM 0 HA VAL A 57 7.135 -13.865 -19.736 1.00 25.00 H new ATOM 0 HB VAL A 57 7.125 -11.061 -20.964 1.00 25.00 H new ATOM 0 HG11 VAL A 57 5.981 -12.084 -22.897 1.00 25.00 H new ATOM 0 HG12 VAL A 57 7.618 -12.741 -22.663 1.00 25.00 H new ATOM 0 HG13 VAL A 57 6.198 -13.691 -22.162 1.00 25.00 H new ATOM 0 HG21 VAL A 57 4.655 -11.301 -20.995 1.00 25.00 H new ATOM 0 HG22 VAL A 57 4.808 -12.864 -20.157 1.00 25.00 H new ATOM 0 HG23 VAL A 57 5.310 -11.364 -19.341 1.00 25.00 H new ATOM 891 N PRO A 58 9.359 -14.146 -21.036 1.00 25.00 N ATOM 892 CA PRO A 58 10.667 -14.133 -21.701 1.00 25.00 C ATOM 893 C PRO A 58 10.628 -13.369 -23.035 1.00 25.00 C ATOM 894 O PRO A 58 9.887 -13.705 -23.963 1.00 25.00 O ATOM 895 CB PRO A 58 10.977 -15.617 -21.889 1.00 25.00 C ATOM 896 CG PRO A 58 9.643 -16.253 -22.007 1.00 25.00 C ATOM 897 CD PRO A 58 8.725 -15.478 -21.107 1.00 25.00 C ATOM 0 HA PRO A 58 11.433 -13.614 -21.124 1.00 25.00 H new ATOM 0 HB2 PRO A 58 11.581 -15.788 -22.780 1.00 25.00 H new ATOM 0 HB3 PRO A 58 11.536 -16.018 -21.044 1.00 25.00 H new ATOM 0 HG2 PRO A 58 9.290 -16.227 -23.038 1.00 25.00 H new ATOM 0 HG3 PRO A 58 9.684 -17.301 -21.711 1.00 25.00 H new ATOM 0 HD2 PRO A 58 7.716 -15.421 -21.515 1.00 25.00 H new ATOM 0 HD3 PRO A 58 8.645 -15.938 -20.122 1.00 25.00 H new ATOM 905 N GLY A 59 11.456 -12.340 -23.123 1.00 25.00 N ATOM 906 CA GLY A 59 11.534 -11.486 -24.291 1.00 25.00 C ATOM 907 C GLY A 59 11.996 -12.190 -25.541 1.00 25.00 C ATOM 908 O GLY A 59 11.661 -11.789 -26.644 1.00 25.00 O ATOM 0 H GLY A 59 12.098 -12.074 -22.376 1.00 25.00 H new ATOM 0 HA2 GLY A 59 10.552 -11.050 -24.475 1.00 25.00 H new ATOM 0 HA3 GLY A 59 12.214 -10.661 -24.079 1.00 25.00 H new ATOM 912 N ASN A 60 12.693 -13.307 -25.379 1.00 25.00 N ATOM 913 CA ASN A 60 13.142 -14.110 -26.529 1.00 25.00 C ATOM 914 C ASN A 60 11.964 -14.816 -27.224 1.00 25.00 C ATOM 915 O ASN A 60 12.150 -15.479 -28.242 1.00 25.00 O ATOM 916 CB ASN A 60 14.178 -15.148 -26.079 1.00 25.00 C ATOM 917 CG ASN A 60 15.484 -14.517 -25.657 1.00 25.00 C ATOM 918 OD1 ASN A 60 15.769 -13.385 -25.988 1.00 25.00 O ATOM 919 ND2 ASN A 60 16.270 -15.243 -24.909 1.00 25.00 N ATOM 0 H ASN A 60 12.963 -13.684 -24.470 1.00 25.00 H new ATOM 0 HA ASN A 60 13.598 -13.429 -27.248 1.00 25.00 H new ATOM 0 HB2 ASN A 60 13.772 -15.725 -25.248 1.00 25.00 H new ATOM 0 HB3 ASN A 60 14.363 -15.848 -26.893 1.00 25.00 H new ATOM 0 HD21 ASN A 60 17.158 -14.862 -24.582 1.00 25.00 H new ATOM 0 HD22 ASN A 60 15.996 -16.191 -24.651 1.00 25.00 H new ATOM 926 N ARG A 61 10.758 -14.654 -26.685 1.00 25.00 N ATOM 927 CA ARG A 61 9.544 -15.210 -27.288 1.00 25.00 C ATOM 928 C ARG A 61 8.631 -14.077 -27.761 1.00 25.00 C ATOM 929 O ARG A 61 7.470 -14.317 -28.111 1.00 25.00 O ATOM 930 CB ARG A 61 8.808 -16.089 -26.268 1.00 25.00 C ATOM 931 CG ARG A 61 9.637 -17.263 -25.741 1.00 25.00 C ATOM 932 CD ARG A 61 8.741 -18.264 -24.999 1.00 25.00 C ATOM 933 NE ARG A 61 9.510 -19.234 -24.204 1.00 25.00 N ATOM 934 CZ ARG A 61 10.065 -20.348 -24.670 1.00 25.00 C ATOM 935 NH1 ARG A 61 9.992 -20.700 -25.931 1.00 25.00 N ATOM 936 NH2 ARG A 61 10.706 -21.133 -23.843 1.00 25.00 N ATOM 0 H ARG A 61 10.592 -14.136 -25.822 1.00 25.00 H new ATOM 0 HA ARG A 61 9.821 -15.822 -28.146 1.00 25.00 H new ATOM 0 HB2 ARG A 61 8.499 -15.469 -25.426 1.00 25.00 H new ATOM 0 HB3 ARG A 61 7.899 -16.477 -26.728 1.00 25.00 H new ATOM 0 HG2 ARG A 61 10.140 -17.761 -26.570 1.00 25.00 H new ATOM 0 HG3 ARG A 61 10.414 -16.895 -25.071 1.00 25.00 H new ATOM 0 HD2 ARG A 61 8.062 -17.720 -24.343 1.00 25.00 H new ATOM 0 HD3 ARG A 61 8.126 -18.800 -25.722 1.00 25.00 H new ATOM 0 HE ARG A 61 9.627 -19.035 -23.211 1.00 25.00 H new ATOM 0 HH11 ARG A 61 9.494 -20.110 -26.597 1.00 25.00 H new ATOM 0 HH12 ARG A 61 10.433 -21.564 -26.246 1.00 25.00 H new ATOM 0 HH21 ARG A 61 10.775 -20.887 -22.856 1.00 25.00 H new ATOM 0 HH22 ARG A 61 11.137 -21.992 -24.186 1.00 25.00 H new ATOM 950 N LEU A 62 9.159 -12.860 -27.770 1.00 25.00 N ATOM 951 CA LEU A 62 8.398 -11.669 -28.157 1.00 25.00 C ATOM 952 C LEU A 62 9.050 -10.962 -29.349 1.00 25.00 C ATOM 953 O LEU A 62 10.266 -10.990 -29.508 1.00 25.00 O ATOM 954 CB LEU A 62 8.352 -10.670 -26.981 1.00 25.00 C ATOM 955 CG LEU A 62 7.651 -11.088 -25.676 1.00 25.00 C ATOM 956 CD1 LEU A 62 7.765 -9.949 -24.633 1.00 25.00 C ATOM 957 CD2 LEU A 62 6.182 -11.406 -25.918 1.00 25.00 C ATOM 0 H LEU A 62 10.126 -12.666 -27.510 1.00 25.00 H new ATOM 0 HA LEU A 62 7.394 -11.994 -28.429 1.00 25.00 H new ATOM 0 HB2 LEU A 62 9.380 -10.406 -26.733 1.00 25.00 H new ATOM 0 HB3 LEU A 62 7.867 -9.762 -27.339 1.00 25.00 H new ATOM 0 HG LEU A 62 8.142 -11.986 -25.301 1.00 25.00 H new ATOM 0 HD11 LEU A 62 7.267 -10.249 -23.711 1.00 25.00 H new ATOM 0 HD12 LEU A 62 8.816 -9.747 -24.429 1.00 25.00 H new ATOM 0 HD13 LEU A 62 7.291 -9.049 -25.024 1.00 25.00 H new ATOM 0 HD21 LEU A 62 5.713 -11.698 -24.978 1.00 25.00 H new ATOM 0 HD22 LEU A 62 5.679 -10.524 -26.315 1.00 25.00 H new ATOM 0 HD23 LEU A 62 6.100 -12.224 -26.634 1.00 25.00 H new ATOM 969 N LYS A 63 8.243 -10.259 -30.136 1.00 25.00 N ATOM 970 CA LYS A 63 8.761 -9.382 -31.193 1.00 25.00 C ATOM 971 C LYS A 63 8.336 -7.956 -30.874 1.00 25.00 C ATOM 972 O LYS A 63 7.148 -7.667 -30.865 1.00 25.00 O ATOM 973 CB LYS A 63 8.197 -9.762 -32.569 1.00 25.00 C ATOM 974 CG LYS A 63 8.776 -8.897 -33.708 1.00 25.00 C ATOM 975 CD LYS A 63 7.905 -8.896 -34.959 1.00 25.00 C ATOM 976 CE LYS A 63 7.964 -10.227 -35.692 1.00 25.00 C ATOM 977 NZ LYS A 63 7.286 -10.126 -37.030 1.00 25.00 N ATOM 0 H LYS A 63 7.226 -10.276 -30.066 1.00 25.00 H new ATOM 0 HA LYS A 63 9.846 -9.482 -31.229 1.00 25.00 H new ATOM 0 HB2 LYS A 63 8.414 -10.811 -32.769 1.00 25.00 H new ATOM 0 HB3 LYS A 63 7.112 -9.658 -32.554 1.00 25.00 H new ATOM 0 HG2 LYS A 63 8.895 -7.873 -33.354 1.00 25.00 H new ATOM 0 HG3 LYS A 63 9.770 -9.263 -33.965 1.00 25.00 H new ATOM 0 HD2 LYS A 63 6.873 -8.679 -34.683 1.00 25.00 H new ATOM 0 HD3 LYS A 63 8.230 -8.099 -35.627 1.00 25.00 H new ATOM 0 HE2 LYS A 63 9.003 -10.528 -35.827 1.00 25.00 H new ATOM 0 HE3 LYS A 63 7.483 -11.000 -35.092 1.00 25.00 H new ATOM 0 HZ1 LYS A 63 7.337 -11.045 -37.515 1.00 25.00 H new ATOM 0 HZ2 LYS A 63 6.290 -9.860 -36.895 1.00 25.00 H new ATOM 0 HZ3 LYS A 63 7.762 -9.403 -37.607 1.00 25.00 H new ATOM 991 N ILE A 64 9.309 -7.083 -30.658 1.00 25.00 N ATOM 992 CA ILE A 64 9.052 -5.658 -30.401 1.00 25.00 C ATOM 993 C ILE A 64 8.371 -5.041 -31.621 1.00 25.00 C ATOM 994 O ILE A 64 8.765 -5.293 -32.761 1.00 25.00 O ATOM 995 CB ILE A 64 10.401 -4.904 -30.103 1.00 25.00 C ATOM 996 CG1 ILE A 64 11.020 -5.380 -28.771 1.00 25.00 C ATOM 997 CG2 ILE A 64 10.204 -3.373 -30.092 1.00 25.00 C ATOM 998 CD1 ILE A 64 10.257 -4.954 -27.483 1.00 25.00 C ATOM 0 H ILE A 64 10.298 -7.333 -30.654 1.00 25.00 H new ATOM 0 HA ILE A 64 8.402 -5.563 -29.531 1.00 25.00 H new ATOM 0 HB ILE A 64 11.093 -5.146 -30.910 1.00 25.00 H new ATOM 0 HG12 ILE A 64 11.085 -6.468 -28.790 1.00 25.00 H new ATOM 0 HG13 ILE A 64 12.040 -5.001 -28.709 1.00 25.00 H new ATOM 0 HG21 ILE A 64 11.156 -2.885 -29.883 1.00 25.00 H new ATOM 0 HG22 ILE A 64 9.835 -3.047 -31.064 1.00 25.00 H new ATOM 0 HG23 ILE A 64 9.482 -3.105 -29.321 1.00 25.00 H new ATOM 0 HD11 ILE A 64 10.778 -5.341 -26.607 1.00 25.00 H new ATOM 0 HD12 ILE A 64 10.214 -3.866 -27.429 1.00 25.00 H new ATOM 0 HD13 ILE A 64 9.244 -5.356 -27.510 1.00 25.00 H new