USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 644 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 Set 1.1: A 20 TYR OH : rot 125:sc= -0.165 USER MOD Set 1.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -129:sc= -0.108 (180deg=-0.322) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -158:sc= -0.0134 (180deg=-0.366) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 104:sc= 1.15 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.833 X(o=-0.83,f=-1.3) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -160:sc= -0.0386 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot -53:sc= 0.534 USER MOD Single : A 47 TYR OH : rot 180:sc= -1.15 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 58 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.4!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -24:sc= 0.16 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -121:sc= -0.475 (180deg=-2.14!) USER MOD Single : A 74 ASN : amide:sc= -0.0579 X(o=-0.058,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -19.695 -21.095 -1.010 1.00 0.00 N ATOM 2 CA MET A 1 -18.368 -20.687 -0.477 1.00 0.00 C ATOM 3 C MET A 1 -17.422 -20.283 -1.603 1.00 0.00 C ATOM 4 O MET A 1 -17.088 -21.094 -2.468 1.00 0.00 O ATOM 5 CB MET A 1 -17.781 -21.859 0.313 1.00 0.00 C ATOM 6 CG MET A 1 -17.099 -21.441 1.606 1.00 0.00 C ATOM 7 SD MET A 1 -18.225 -21.442 3.015 1.00 0.00 S ATOM 8 CE MET A 1 -18.653 -19.706 3.108 1.00 0.00 C ATOM 0 H1 MET A 1 -20.318 -21.364 -0.222 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.119 -20.301 -1.530 1.00 0.00 H new ATOM 0 H3 MET A 1 -19.577 -21.906 -1.651 1.00 0.00 H new ATOM 0 HA MET A 1 -18.493 -19.820 0.172 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.578 -22.566 0.544 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.061 -22.385 -0.314 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.268 -22.117 1.809 1.00 0.00 H new ATOM 0 HG3 MET A 1 -16.677 -20.444 1.484 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.505 -19.349 4.127 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.018 -19.138 2.429 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.697 -19.573 2.825 1.00 0.00 H new ATOM 18 N LYS A 2 -16.994 -19.025 -1.587 1.00 0.00 N ATOM 19 CA LYS A 2 -16.086 -18.513 -2.607 1.00 0.00 C ATOM 20 C LYS A 2 -14.695 -19.125 -2.456 1.00 0.00 C ATOM 21 O LYS A 2 -14.265 -19.441 -1.347 1.00 0.00 O ATOM 22 CB LYS A 2 -15.997 -16.988 -2.521 1.00 0.00 C ATOM 23 CG LYS A 2 -17.215 -16.275 -3.085 1.00 0.00 C ATOM 24 CD LYS A 2 -17.457 -14.946 -2.387 1.00 0.00 C ATOM 25 CE LYS A 2 -16.942 -13.779 -3.215 1.00 0.00 C ATOM 26 NZ LYS A 2 -17.774 -12.558 -3.034 1.00 0.00 N ATOM 0 H LYS A 2 -17.261 -18.341 -0.879 1.00 0.00 H new ATOM 0 HA LYS A 2 -16.482 -18.793 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -15.867 -16.698 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -15.109 -16.653 -3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -17.077 -16.106 -4.153 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.094 -16.911 -2.974 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -18.524 -14.820 -2.203 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.964 -14.949 -1.415 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -15.912 -13.561 -2.933 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -16.932 -14.058 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.389 -11.786 -3.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -18.752 -12.758 -3.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.763 -12.276 -2.033 1.00 0.00 H new ATOM 40 N PRO A 3 -13.973 -19.303 -3.577 1.00 0.00 N ATOM 41 CA PRO A 3 -12.628 -19.883 -3.565 1.00 0.00 C ATOM 42 C PRO A 3 -11.556 -18.886 -3.130 1.00 0.00 C ATOM 43 O PRO A 3 -10.373 -19.223 -3.073 1.00 0.00 O ATOM 44 CB PRO A 3 -12.420 -20.288 -5.023 1.00 0.00 C ATOM 45 CG PRO A 3 -13.223 -19.304 -5.801 1.00 0.00 C ATOM 46 CD PRO A 3 -14.413 -18.957 -4.943 1.00 0.00 C ATOM 0 HA PRO A 3 -12.544 -20.705 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.366 -20.248 -5.300 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -12.759 -21.308 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -12.635 -18.415 -6.028 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.541 -19.728 -6.754 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.671 -17.901 -5.025 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -15.296 -19.525 -5.235 1.00 0.00 H new ATOM 54 N ARG A 4 -11.972 -17.661 -2.827 1.00 0.00 N ATOM 55 CA ARG A 4 -11.040 -16.623 -2.401 1.00 0.00 C ATOM 56 C ARG A 4 -10.334 -17.025 -1.106 1.00 0.00 C ATOM 57 O ARG A 4 -10.974 -17.489 -0.162 1.00 0.00 O ATOM 58 CB ARG A 4 -11.775 -15.296 -2.204 1.00 0.00 C ATOM 59 CG ARG A 4 -12.872 -15.358 -1.152 1.00 0.00 C ATOM 60 CD ARG A 4 -14.068 -14.504 -1.543 1.00 0.00 C ATOM 61 NE ARG A 4 -13.965 -13.144 -1.021 1.00 0.00 N ATOM 62 CZ ARG A 4 -14.251 -12.808 0.236 1.00 0.00 C ATOM 63 NH1 ARG A 4 -14.657 -13.730 1.100 1.00 0.00 N ATOM 64 NH2 ARG A 4 -14.132 -11.547 0.628 1.00 0.00 N ATOM 0 H ARG A 4 -12.947 -17.363 -2.868 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.289 -16.501 -3.182 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -11.054 -14.529 -1.920 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.211 -14.987 -3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -13.190 -16.392 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.479 -15.018 -0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.149 -14.470 -2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -14.981 -14.967 -1.170 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.656 -12.408 -1.656 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -14.751 -14.701 0.803 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -14.875 -13.467 2.061 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.822 -10.835 -0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.351 -11.289 1.590 1.00 0.00 H new ATOM 78 N PRO A 5 -9.001 -16.852 -1.040 1.00 0.00 N ATOM 79 CA PRO A 5 -8.220 -17.201 0.149 1.00 0.00 C ATOM 80 C PRO A 5 -8.400 -16.192 1.278 1.00 0.00 C ATOM 81 O PRO A 5 -8.567 -16.566 2.438 1.00 0.00 O ATOM 82 CB PRO A 5 -6.780 -17.182 -0.361 1.00 0.00 C ATOM 83 CG PRO A 5 -6.791 -16.198 -1.478 1.00 0.00 C ATOM 84 CD PRO A 5 -8.151 -16.305 -2.117 1.00 0.00 C ATOM 0 HA PRO A 5 -8.525 -18.157 0.574 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -6.085 -16.883 0.424 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -6.468 -18.168 -0.704 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -6.612 -15.188 -1.109 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -6.004 -16.418 -2.199 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -8.511 -15.334 -2.457 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -8.134 -16.962 -2.987 1.00 0.00 H new ATOM 92 N GLY A 6 -8.365 -14.910 0.928 1.00 0.00 N ATOM 93 CA GLY A 6 -8.525 -13.865 1.922 1.00 0.00 C ATOM 94 C GLY A 6 -7.542 -12.726 1.732 1.00 0.00 C ATOM 95 O GLY A 6 -7.786 -11.812 0.945 1.00 0.00 O ATOM 0 H GLY A 6 -8.229 -14.576 -0.026 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -9.542 -13.475 1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -8.394 -14.291 2.917 1.00 0.00 H new ATOM 99 N VAL A 7 -6.428 -12.782 2.455 1.00 0.00 N ATOM 100 CA VAL A 7 -5.405 -11.746 2.363 1.00 0.00 C ATOM 101 C VAL A 7 -5.940 -10.401 2.842 1.00 0.00 C ATOM 102 O VAL A 7 -7.028 -9.980 2.452 1.00 0.00 O ATOM 103 CB VAL A 7 -4.888 -11.594 0.919 1.00 0.00 C ATOM 104 CG1 VAL A 7 -3.685 -10.666 0.878 1.00 0.00 C ATOM 105 CG2 VAL A 7 -4.544 -12.954 0.329 1.00 0.00 C ATOM 0 H VAL A 7 -6.211 -13.533 3.110 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.582 -12.057 3.006 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.679 -11.151 0.313 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.334 -10.571 -0.149 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.970 -9.684 1.257 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.888 -11.076 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.181 -12.827 -0.691 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.770 -13.428 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.434 -13.583 0.321 1.00 0.00 H new ATOM 115 N PHE A 8 -5.168 -9.733 3.692 1.00 0.00 N ATOM 116 CA PHE A 8 -5.565 -8.435 4.227 1.00 0.00 C ATOM 117 C PHE A 8 -4.390 -7.463 4.229 1.00 0.00 C ATOM 118 O PHE A 8 -4.491 -6.349 3.714 1.00 0.00 O ATOM 119 CB PHE A 8 -6.115 -8.589 5.646 1.00 0.00 C ATOM 120 CG PHE A 8 -7.074 -9.736 5.798 1.00 0.00 C ATOM 121 CD1 PHE A 8 -8.429 -9.558 5.569 1.00 0.00 C ATOM 122 CD2 PHE A 8 -6.620 -10.991 6.168 1.00 0.00 C ATOM 123 CE1 PHE A 8 -9.313 -10.612 5.708 1.00 0.00 C ATOM 124 CE2 PHE A 8 -7.499 -12.048 6.308 1.00 0.00 C ATOM 125 CZ PHE A 8 -8.847 -11.858 6.078 1.00 0.00 C ATOM 0 H PHE A 8 -4.264 -10.068 4.025 1.00 0.00 H new ATOM 0 HA PHE A 8 -6.347 -8.031 3.584 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -5.283 -8.728 6.336 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.617 -7.666 5.934 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -8.799 -8.586 5.279 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -5.567 -11.145 6.349 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -10.367 -10.461 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -7.132 -13.022 6.597 1.00 0.00 H new ATOM 0 HZ PHE A 8 -9.536 -12.683 6.187 1.00 0.00 H new ATOM 135 N VAL A 9 -3.275 -7.891 4.813 1.00 0.00 N ATOM 136 CA VAL A 9 -2.079 -7.060 4.885 1.00 0.00 C ATOM 137 C VAL A 9 -1.633 -6.607 3.498 1.00 0.00 C ATOM 138 O VAL A 9 -1.018 -5.550 3.347 1.00 0.00 O ATOM 139 CB VAL A 9 -0.915 -7.807 5.562 1.00 0.00 C ATOM 140 CG1 VAL A 9 -1.151 -7.918 7.061 1.00 0.00 C ATOM 141 CG2 VAL A 9 -0.733 -9.184 4.941 1.00 0.00 C ATOM 0 H VAL A 9 -3.175 -8.810 5.244 1.00 0.00 H new ATOM 0 HA VAL A 9 -2.342 -6.187 5.482 1.00 0.00 H new ATOM 0 HB VAL A 9 0.000 -7.237 5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.318 -8.449 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.228 -6.920 7.492 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.076 -8.465 7.244 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.094 -9.698 5.431 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.647 -9.764 5.068 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.515 -9.078 3.878 1.00 0.00 H new ATOM 151 N ASP A 10 -1.945 -7.411 2.487 1.00 0.00 N ATOM 152 CA ASP A 10 -1.574 -7.090 1.113 1.00 0.00 C ATOM 153 C ASP A 10 -2.639 -6.228 0.445 1.00 0.00 C ATOM 154 O ASP A 10 -2.325 -5.237 -0.215 1.00 0.00 O ATOM 155 CB ASP A 10 -1.362 -8.374 0.308 1.00 0.00 C ATOM 156 CG ASP A 10 -0.524 -8.144 -0.935 1.00 0.00 C ATOM 157 OD1 ASP A 10 0.719 -8.124 -0.817 1.00 0.00 O ATOM 158 OD2 ASP A 10 -1.111 -7.984 -2.025 1.00 0.00 O ATOM 0 H ASP A 10 -2.453 -8.289 2.593 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.642 -6.525 1.139 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.876 -9.119 0.938 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -2.330 -8.783 0.020 1.00 0.00 H new ATOM 163 N ARG A 11 -3.899 -6.613 0.616 1.00 0.00 N ATOM 164 CA ARG A 11 -5.009 -5.874 0.025 1.00 0.00 C ATOM 165 C ARG A 11 -5.154 -4.496 0.663 1.00 0.00 C ATOM 166 O ARG A 11 -5.428 -3.512 -0.023 1.00 0.00 O ATOM 167 CB ARG A 11 -6.313 -6.658 0.178 1.00 0.00 C ATOM 168 CG ARG A 11 -7.312 -6.395 -0.937 1.00 0.00 C ATOM 169 CD ARG A 11 -8.732 -6.292 -0.403 1.00 0.00 C ATOM 170 NE ARG A 11 -9.219 -7.573 0.105 1.00 0.00 N ATOM 171 CZ ARG A 11 -9.661 -8.558 -0.672 1.00 0.00 C ATOM 172 NH1 ARG A 11 -9.682 -8.414 -1.991 1.00 0.00 N ATOM 173 NH2 ARG A 11 -10.086 -9.692 -0.129 1.00 0.00 N ATOM 0 H ARG A 11 -4.177 -7.431 1.158 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.795 -5.741 -1.035 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.086 -7.724 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.771 -6.403 1.134 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.048 -5.471 -1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.257 -7.197 -1.673 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.767 -5.549 0.394 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.393 -5.941 -1.195 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.220 -7.720 1.114 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.358 -7.544 -2.414 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.022 -9.173 -2.582 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.074 -9.808 0.884 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.425 -10.447 -0.725 1.00 0.00 H new ATOM 187 N LYS A 12 -4.968 -4.432 1.978 1.00 0.00 N ATOM 188 CA LYS A 12 -5.081 -3.170 2.703 1.00 0.00 C ATOM 189 C LYS A 12 -4.132 -2.126 2.125 1.00 0.00 C ATOM 190 O LYS A 12 -4.457 -0.940 2.072 1.00 0.00 O ATOM 191 CB LYS A 12 -4.781 -3.380 4.189 1.00 0.00 C ATOM 192 CG LYS A 12 -6.019 -3.645 5.029 1.00 0.00 C ATOM 193 CD LYS A 12 -6.663 -4.975 4.671 1.00 0.00 C ATOM 194 CE LYS A 12 -8.173 -4.924 4.830 1.00 0.00 C ATOM 195 NZ LYS A 12 -8.577 -4.269 6.105 1.00 0.00 N ATOM 0 H LYS A 12 -4.739 -5.236 2.562 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.103 -2.808 2.594 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -4.093 -4.218 4.297 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -4.272 -2.498 4.576 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -5.750 -3.643 6.085 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.739 -2.840 4.882 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.413 -5.236 3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.256 -5.761 5.307 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.608 -4.382 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.575 -5.937 4.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.539 -4.570 6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.916 -4.542 6.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.558 -3.236 5.986 1.00 0.00 H new ATOM 209 N LEU A 13 -2.958 -2.574 1.692 1.00 0.00 N ATOM 210 CA LEU A 13 -1.963 -1.675 1.118 1.00 0.00 C ATOM 211 C LEU A 13 -2.539 -0.912 -0.070 1.00 0.00 C ATOM 212 O LEU A 13 -2.305 0.286 -0.224 1.00 0.00 O ATOM 213 CB LEU A 13 -0.726 -2.465 0.682 1.00 0.00 C ATOM 214 CG LEU A 13 0.609 -1.750 0.901 1.00 0.00 C ATOM 215 CD1 LEU A 13 0.600 -0.386 0.230 1.00 0.00 C ATOM 216 CD2 LEU A 13 0.899 -1.613 2.388 1.00 0.00 C ATOM 0 H LEU A 13 -2.673 -3.553 1.728 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.675 -0.954 1.883 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.708 -3.410 1.224 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.822 -2.706 -0.377 1.00 0.00 H new ATOM 0 HG LEU A 13 1.400 -2.348 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.557 0.108 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.436 -0.508 -0.841 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.200 0.222 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.852 -1.102 2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.105 -1.035 2.862 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.948 -2.603 2.842 1.00 0.00 H new ATOM 228 N LYS A 14 -3.297 -1.614 -0.907 1.00 0.00 N ATOM 229 CA LYS A 14 -3.906 -1.002 -2.079 1.00 0.00 C ATOM 230 C LYS A 14 -5.069 -0.097 -1.683 1.00 0.00 C ATOM 231 O LYS A 14 -5.127 1.064 -2.082 1.00 0.00 O ATOM 232 CB LYS A 14 -4.397 -2.081 -3.046 1.00 0.00 C ATOM 233 CG LYS A 14 -4.425 -1.629 -4.497 1.00 0.00 C ATOM 234 CD LYS A 14 -5.168 -2.622 -5.377 1.00 0.00 C ATOM 235 CE LYS A 14 -6.649 -2.671 -5.035 1.00 0.00 C ATOM 236 NZ LYS A 14 -7.409 -3.532 -5.982 1.00 0.00 N ATOM 0 H LYS A 14 -3.503 -2.607 -0.794 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.148 -0.394 -2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.753 -2.956 -2.959 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.399 -2.393 -2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.903 -0.652 -4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.405 -1.511 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.044 -2.345 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.733 -3.614 -5.256 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.775 -3.048 -4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.059 -1.661 -5.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -8.414 -3.539 -5.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.310 -3.158 -6.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -7.035 -4.502 -5.947 1.00 0.00 H new ATOM 250 N GLN A 15 -5.995 -0.643 -0.898 1.00 0.00 N ATOM 251 CA GLN A 15 -7.164 0.107 -0.449 1.00 0.00 C ATOM 252 C GLN A 15 -6.761 1.342 0.352 1.00 0.00 C ATOM 253 O GLN A 15 -7.272 2.437 0.119 1.00 0.00 O ATOM 254 CB GLN A 15 -8.071 -0.787 0.397 1.00 0.00 C ATOM 255 CG GLN A 15 -9.428 -0.168 0.695 1.00 0.00 C ATOM 256 CD GLN A 15 -10.541 -0.778 -0.135 1.00 0.00 C ATOM 257 OE1 GLN A 15 -10.825 -0.323 -1.243 1.00 0.00 O ATOM 258 NE2 GLN A 15 -11.177 -1.813 0.398 1.00 0.00 N ATOM 0 H GLN A 15 -5.958 -1.604 -0.559 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.706 0.439 -1.334 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.219 -1.735 -0.121 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.569 -1.013 1.338 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.657 -0.295 1.753 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.384 0.904 0.505 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.908 -2.157 1.320 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.935 -2.265 -0.114 1.00 0.00 H new ATOM 267 N ARG A 16 -5.850 1.161 1.300 1.00 0.00 N ATOM 268 CA ARG A 16 -5.390 2.265 2.133 1.00 0.00 C ATOM 269 C ARG A 16 -4.653 3.308 1.297 1.00 0.00 C ATOM 270 O ARG A 16 -4.809 4.511 1.509 1.00 0.00 O ATOM 271 CB ARG A 16 -4.481 1.750 3.250 1.00 0.00 C ATOM 272 CG ARG A 16 -4.585 2.551 4.537 1.00 0.00 C ATOM 273 CD ARG A 16 -5.761 2.093 5.384 1.00 0.00 C ATOM 274 NE ARG A 16 -6.989 2.814 5.054 1.00 0.00 N ATOM 275 CZ ARG A 16 -8.202 2.426 5.441 1.00 0.00 C ATOM 276 NH1 ARG A 16 -8.355 1.326 6.168 1.00 0.00 N ATOM 277 NH2 ARG A 16 -9.265 3.141 5.099 1.00 0.00 N ATOM 0 H ARG A 16 -5.416 0.262 1.511 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.265 2.737 2.580 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.730 0.709 3.458 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.448 1.768 2.903 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.662 2.447 5.107 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -4.696 3.609 4.300 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.918 1.024 5.238 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.527 2.240 6.438 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.912 3.664 4.495 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.540 0.773 6.433 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -9.287 1.034 6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -9.152 3.987 4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -10.195 2.845 5.395 1.00 0.00 H new ATOM 291 N VAL A 17 -3.850 2.839 0.348 1.00 0.00 N ATOM 292 CA VAL A 17 -3.090 3.735 -0.515 1.00 0.00 C ATOM 293 C VAL A 17 -4.013 4.505 -1.458 1.00 0.00 C ATOM 294 O VAL A 17 -3.950 5.731 -1.529 1.00 0.00 O ATOM 295 CB VAL A 17 -2.031 2.958 -1.332 1.00 0.00 C ATOM 296 CG1 VAL A 17 -1.562 3.757 -2.540 1.00 0.00 C ATOM 297 CG2 VAL A 17 -0.849 2.592 -0.448 1.00 0.00 C ATOM 0 H VAL A 17 -3.709 1.847 0.157 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.577 4.449 0.129 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.497 2.044 -1.699 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.819 3.181 -3.091 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.412 3.968 -3.189 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.119 4.695 -2.206 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.111 2.046 -1.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.396 3.501 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.191 1.967 0.377 1.00 0.00 H new ATOM 307 N ILE A 18 -4.868 3.787 -2.181 1.00 0.00 N ATOM 308 CA ILE A 18 -5.791 4.424 -3.115 1.00 0.00 C ATOM 309 C ILE A 18 -6.616 5.504 -2.424 1.00 0.00 C ATOM 310 O ILE A 18 -6.881 6.561 -2.998 1.00 0.00 O ATOM 311 CB ILE A 18 -6.742 3.401 -3.771 1.00 0.00 C ATOM 312 CG1 ILE A 18 -7.595 2.701 -2.711 1.00 0.00 C ATOM 313 CG2 ILE A 18 -5.953 2.385 -4.583 1.00 0.00 C ATOM 314 CD1 ILE A 18 -8.570 1.697 -3.288 1.00 0.00 C ATOM 0 H ILE A 18 -4.941 2.770 -2.139 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.179 4.880 -3.894 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.410 3.936 -4.446 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.938 2.193 -2.005 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.149 3.452 -2.148 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.639 1.671 -5.039 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.393 2.899 -5.364 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.260 1.855 -3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.141 1.239 -2.480 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.251 2.203 -3.973 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.021 0.925 -3.827 1.00 0.00 H new ATOM 326 N GLN A 19 -7.016 5.233 -1.186 1.00 0.00 N ATOM 327 CA GLN A 19 -7.808 6.183 -0.414 1.00 0.00 C ATOM 328 C GLN A 19 -6.956 7.368 0.030 1.00 0.00 C ATOM 329 O GLN A 19 -7.451 8.490 0.149 1.00 0.00 O ATOM 330 CB GLN A 19 -8.421 5.494 0.806 1.00 0.00 C ATOM 331 CG GLN A 19 -9.701 4.734 0.498 1.00 0.00 C ATOM 332 CD GLN A 19 -10.754 4.905 1.576 1.00 0.00 C ATOM 333 OE1 GLN A 19 -11.502 5.884 1.579 1.00 0.00 O ATOM 334 NE2 GLN A 19 -10.817 3.952 2.498 1.00 0.00 N ATOM 0 H GLN A 19 -6.805 4.364 -0.696 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.609 6.555 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.691 4.803 1.227 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.628 6.243 1.570 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.103 5.078 -0.455 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.472 3.675 0.384 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -10.177 3.159 2.456 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.505 4.013 3.248 1.00 0.00 H new ATOM 343 N TYR A 20 -5.676 7.113 0.281 1.00 0.00 N ATOM 344 CA TYR A 20 -4.759 8.160 0.721 1.00 0.00 C ATOM 345 C TYR A 20 -4.409 9.113 -0.421 1.00 0.00 C ATOM 346 O TYR A 20 -4.298 10.322 -0.216 1.00 0.00 O ATOM 347 CB TYR A 20 -3.480 7.542 1.291 1.00 0.00 C ATOM 348 CG TYR A 20 -3.519 7.345 2.791 1.00 0.00 C ATOM 349 CD1 TYR A 20 -4.014 8.336 3.630 1.00 0.00 C ATOM 350 CD2 TYR A 20 -3.062 6.166 3.366 1.00 0.00 C ATOM 351 CE1 TYR A 20 -4.052 8.158 4.999 1.00 0.00 C ATOM 352 CE2 TYR A 20 -3.095 5.981 4.736 1.00 0.00 C ATOM 353 CZ TYR A 20 -3.592 6.980 5.547 1.00 0.00 C ATOM 354 OH TYR A 20 -3.629 6.798 6.911 1.00 0.00 O ATOM 0 H TYR A 20 -5.250 6.191 0.187 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.262 8.733 1.500 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.306 6.579 0.811 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.634 8.181 1.039 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.375 9.261 3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.675 5.381 2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.440 8.938 5.637 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.734 5.060 5.169 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.125 5.979 7.118 1.00 0.00 H new ATOM 364 N LEU A 21 -4.234 8.567 -1.620 1.00 0.00 N ATOM 365 CA LEU A 21 -3.894 9.381 -2.783 1.00 0.00 C ATOM 366 C LEU A 21 -5.091 10.214 -3.230 1.00 0.00 C ATOM 367 O LEU A 21 -4.973 11.419 -3.453 1.00 0.00 O ATOM 368 CB LEU A 21 -3.414 8.503 -3.942 1.00 0.00 C ATOM 369 CG LEU A 21 -2.520 7.322 -3.549 1.00 0.00 C ATOM 370 CD1 LEU A 21 -2.913 6.071 -4.322 1.00 0.00 C ATOM 371 CD2 LEU A 21 -1.054 7.655 -3.787 1.00 0.00 C ATOM 0 H LEU A 21 -4.321 7.569 -1.812 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.086 10.052 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.287 8.116 -4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.869 9.130 -4.648 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.660 7.128 -2.486 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.266 5.244 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.950 5.817 -4.101 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.805 6.255 -5.391 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.436 6.803 -3.502 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.898 7.879 -4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.776 8.522 -3.188 1.00 0.00 H new ATOM 383 N SER A 22 -6.244 9.564 -3.357 1.00 0.00 N ATOM 384 CA SER A 22 -7.464 10.244 -3.779 1.00 0.00 C ATOM 385 C SER A 22 -7.801 11.396 -2.837 1.00 0.00 C ATOM 386 O SER A 22 -8.260 12.452 -3.272 1.00 0.00 O ATOM 387 CB SER A 22 -8.630 9.255 -3.831 1.00 0.00 C ATOM 388 OG SER A 22 -8.270 8.079 -4.534 1.00 0.00 O ATOM 0 H SER A 22 -6.359 8.567 -3.174 1.00 0.00 H new ATOM 0 HA SER A 22 -7.296 10.652 -4.776 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.937 8.997 -2.818 1.00 0.00 H new ATOM 0 HB3 SER A 22 -9.487 9.724 -4.315 1.00 0.00 H new ATOM 0 HG SER A 22 -8.107 7.353 -3.896 1.00 0.00 H new ATOM 394 N SER A 23 -7.570 11.185 -1.544 1.00 0.00 N ATOM 395 CA SER A 23 -7.850 12.208 -0.542 1.00 0.00 C ATOM 396 C SER A 23 -6.820 13.330 -0.608 1.00 0.00 C ATOM 397 O SER A 23 -7.136 14.491 -0.349 1.00 0.00 O ATOM 398 CB SER A 23 -7.860 11.590 0.857 1.00 0.00 C ATOM 399 OG SER A 23 -9.160 11.149 1.211 1.00 0.00 O ATOM 0 H SER A 23 -7.190 10.317 -1.167 1.00 0.00 H new ATOM 0 HA SER A 23 -8.833 12.629 -0.753 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.166 10.750 0.892 1.00 0.00 H new ATOM 0 HB3 SER A 23 -7.511 12.323 1.584 1.00 0.00 H new ATOM 0 HG SER A 23 -9.139 10.756 2.109 1.00 0.00 H new ATOM 405 N ASN A 24 -5.587 12.976 -0.956 1.00 0.00 N ATOM 406 CA ASN A 24 -4.511 13.955 -1.056 1.00 0.00 C ATOM 407 C ASN A 24 -3.296 13.356 -1.756 1.00 0.00 C ATOM 408 O ASN A 24 -3.066 12.147 -1.697 1.00 0.00 O ATOM 409 CB ASN A 24 -4.119 14.456 0.335 1.00 0.00 C ATOM 410 CG ASN A 24 -3.667 13.333 1.248 1.00 0.00 C ATOM 411 OD1 ASN A 24 -2.471 13.092 1.409 1.00 0.00 O ATOM 412 ND2 ASN A 24 -4.626 12.639 1.850 1.00 0.00 N ATOM 0 H ASN A 24 -5.308 12.019 -1.173 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.871 14.796 -1.648 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.318 15.189 0.242 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.969 14.968 0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.384 11.871 2.476 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.605 12.874 1.687 1.00 0.00 H new ATOM 419 N ARG A 25 -2.519 14.207 -2.417 1.00 0.00 N ATOM 420 CA ARG A 25 -1.327 13.761 -3.129 1.00 0.00 C ATOM 421 C ARG A 25 -0.348 13.079 -2.178 1.00 0.00 C ATOM 422 O ARG A 25 0.271 12.074 -2.524 1.00 0.00 O ATOM 423 CB ARG A 25 -0.646 14.944 -3.818 1.00 0.00 C ATOM 424 CG ARG A 25 0.116 14.560 -5.075 1.00 0.00 C ATOM 425 CD ARG A 25 -0.051 15.601 -6.171 1.00 0.00 C ATOM 426 NE ARG A 25 -1.347 15.491 -6.836 1.00 0.00 N ATOM 427 CZ ARG A 25 -1.634 14.568 -7.751 1.00 0.00 C ATOM 428 NH1 ARG A 25 -0.721 13.675 -8.111 1.00 0.00 N ATOM 429 NH2 ARG A 25 -2.837 14.536 -8.306 1.00 0.00 N ATOM 0 H ARG A 25 -2.693 15.210 -2.475 1.00 0.00 H new ATOM 0 HA ARG A 25 -1.635 13.038 -3.884 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.400 15.688 -4.074 1.00 0.00 H new ATOM 0 HB3 ARG A 25 0.042 15.416 -3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.174 14.446 -4.839 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -0.237 13.593 -5.434 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.054 16.598 -5.743 1.00 0.00 H new ATOM 0 HD3 ARG A 25 0.745 15.484 -6.906 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.074 16.160 -6.584 1.00 0.00 H new ATOM 0 HH11 ARG A 25 0.206 13.694 -7.686 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -0.946 12.970 -8.813 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.543 15.219 -8.032 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.057 13.829 -9.007 1.00 0.00 H new ATOM 443 N CYS A 26 -0.214 13.634 -0.978 1.00 0.00 N ATOM 444 CA CYS A 26 0.689 13.079 0.023 1.00 0.00 C ATOM 445 C CYS A 26 2.125 13.053 -0.494 1.00 0.00 C ATOM 446 O CYS A 26 2.669 11.991 -0.796 1.00 0.00 O ATOM 447 CB CYS A 26 0.247 11.668 0.415 1.00 0.00 C ATOM 448 SG CYS A 26 0.987 11.062 1.950 1.00 0.00 S ATOM 0 H CYS A 26 -0.719 14.467 -0.675 1.00 0.00 H new ATOM 0 HA CYS A 26 0.652 13.719 0.904 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.838 11.654 0.517 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.500 10.982 -0.393 1.00 0.00 H new ATOM 0 HG CYS A 26 0.551 9.863 2.198 1.00 0.00 H new ATOM 454 N GLY A 27 2.732 14.231 -0.596 1.00 0.00 N ATOM 455 CA GLY A 27 4.099 14.323 -1.077 1.00 0.00 C ATOM 456 C GLY A 27 4.178 14.846 -2.499 1.00 0.00 C ATOM 457 O GLY A 27 3.335 14.521 -3.334 1.00 0.00 O ATOM 0 H GLY A 27 2.302 15.124 -0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.669 14.979 -0.419 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.565 13.339 -1.028 1.00 0.00 H new ATOM 461 N LYS A 28 5.194 15.658 -2.772 1.00 0.00 N ATOM 462 CA LYS A 28 5.381 16.226 -4.102 1.00 0.00 C ATOM 463 C LYS A 28 5.667 15.132 -5.127 1.00 0.00 C ATOM 464 O LYS A 28 5.290 15.246 -6.293 1.00 0.00 O ATOM 465 CB LYS A 28 6.524 17.245 -4.089 1.00 0.00 C ATOM 466 CG LYS A 28 6.051 18.689 -4.049 1.00 0.00 C ATOM 467 CD LYS A 28 6.988 19.559 -3.225 1.00 0.00 C ATOM 468 CE LYS A 28 8.249 19.910 -4.000 1.00 0.00 C ATOM 469 NZ LYS A 28 8.224 21.314 -4.495 1.00 0.00 N ATOM 0 H LYS A 28 5.900 15.937 -2.091 1.00 0.00 H new ATOM 0 HA LYS A 28 4.458 16.731 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.159 17.055 -3.224 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.141 17.098 -4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.988 19.081 -5.064 1.00 0.00 H new ATOM 0 HG3 LYS A 28 5.047 18.733 -3.627 1.00 0.00 H new ATOM 0 HD2 LYS A 28 6.473 20.474 -2.932 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.257 19.037 -2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 28 9.120 19.766 -3.361 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.357 19.229 -4.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.101 21.513 -5.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.407 21.445 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.146 21.965 -3.688 1.00 0.00 H new ATOM 483 N TYR A 29 6.337 14.075 -4.682 1.00 0.00 N ATOM 484 CA TYR A 29 6.675 12.960 -5.560 1.00 0.00 C ATOM 485 C TYR A 29 6.873 11.678 -4.756 1.00 0.00 C ATOM 486 O TYR A 29 7.906 11.015 -4.862 1.00 0.00 O ATOM 487 CB TYR A 29 7.936 13.282 -6.364 1.00 0.00 C ATOM 488 CG TYR A 29 7.653 13.759 -7.772 1.00 0.00 C ATOM 489 CD1 TYR A 29 6.986 12.945 -8.679 1.00 0.00 C ATOM 490 CD2 TYR A 29 8.052 15.021 -8.192 1.00 0.00 C ATOM 491 CE1 TYR A 29 6.725 13.376 -9.966 1.00 0.00 C ATOM 492 CE2 TYR A 29 7.794 15.460 -9.477 1.00 0.00 C ATOM 493 CZ TYR A 29 7.130 14.634 -10.360 1.00 0.00 C ATOM 494 OH TYR A 29 6.873 15.066 -11.640 1.00 0.00 O ATOM 0 H TYR A 29 6.657 13.966 -3.720 1.00 0.00 H new ATOM 0 HA TYR A 29 5.847 12.805 -6.252 1.00 0.00 H new ATOM 0 HB2 TYR A 29 8.506 14.048 -5.838 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.564 12.392 -6.410 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.666 11.960 -8.374 1.00 0.00 H new ATOM 0 HD2 TYR A 29 8.572 15.670 -7.503 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.206 12.731 -10.660 1.00 0.00 H new ATOM 0 HE2 TYR A 29 8.111 16.445 -9.788 1.00 0.00 H new ATOM 0 HH TYR A 29 7.223 15.974 -11.755 1.00 0.00 H new ATOM 504 N VAL A 30 5.875 11.333 -3.949 1.00 0.00 N ATOM 505 CA VAL A 30 5.938 10.131 -3.127 1.00 0.00 C ATOM 506 C VAL A 30 6.064 8.881 -3.993 1.00 0.00 C ATOM 507 O VAL A 30 5.118 8.490 -4.677 1.00 0.00 O ATOM 508 CB VAL A 30 4.693 10.004 -2.224 1.00 0.00 C ATOM 509 CG1 VAL A 30 3.429 9.891 -3.063 1.00 0.00 C ATOM 510 CG2 VAL A 30 4.831 8.814 -1.285 1.00 0.00 C ATOM 0 H VAL A 30 5.013 11.869 -3.847 1.00 0.00 H new ATOM 0 HA VAL A 30 6.823 10.220 -2.497 1.00 0.00 H new ATOM 0 HB VAL A 30 4.615 10.907 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.563 9.802 -2.407 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.324 10.780 -3.684 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.493 9.009 -3.700 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.943 8.741 -0.657 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.938 7.900 -1.869 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.711 8.947 -0.656 1.00 0.00 H new ATOM 520 N ASP A 31 7.237 8.259 -3.958 1.00 0.00 N ATOM 521 CA ASP A 31 7.487 7.055 -4.741 1.00 0.00 C ATOM 522 C ASP A 31 7.103 5.805 -3.957 1.00 0.00 C ATOM 523 O ASP A 31 6.503 5.892 -2.885 1.00 0.00 O ATOM 524 CB ASP A 31 8.959 6.984 -5.151 1.00 0.00 C ATOM 525 CG ASP A 31 9.140 6.497 -6.575 1.00 0.00 C ATOM 526 OD1 ASP A 31 8.712 7.211 -7.505 1.00 0.00 O ATOM 527 OD2 ASP A 31 9.709 5.401 -6.760 1.00 0.00 O ATOM 0 H ASP A 31 8.030 8.569 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 31 6.870 7.101 -5.638 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.410 7.971 -5.047 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.491 6.318 -4.472 1.00 0.00 H new ATOM 532 N THR A 32 7.452 4.642 -4.498 1.00 0.00 N ATOM 533 CA THR A 32 7.145 3.373 -3.849 1.00 0.00 C ATOM 534 C THR A 32 7.793 3.297 -2.470 1.00 0.00 C ATOM 535 O THR A 32 7.116 3.076 -1.466 1.00 0.00 O ATOM 536 CB THR A 32 7.621 2.205 -4.714 1.00 0.00 C ATOM 537 OG1 THR A 32 8.972 2.383 -5.097 1.00 0.00 O ATOM 538 CG2 THR A 32 6.806 2.024 -5.976 1.00 0.00 C ATOM 0 H THR A 32 7.948 4.553 -5.385 1.00 0.00 H new ATOM 0 HA THR A 32 6.064 3.308 -3.727 1.00 0.00 H new ATOM 0 HB THR A 32 7.500 1.318 -4.093 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.166 1.827 -5.880 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.196 1.179 -6.543 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.765 1.835 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.868 2.928 -6.582 1.00 0.00 H new ATOM 546 N GLY A 33 9.109 3.483 -2.430 1.00 0.00 N ATOM 547 CA GLY A 33 9.827 3.433 -1.170 1.00 0.00 C ATOM 548 C GLY A 33 9.387 4.518 -0.209 1.00 0.00 C ATOM 549 O GLY A 33 9.334 4.302 1.002 1.00 0.00 O ATOM 0 H GLY A 33 9.690 3.667 -3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.675 2.458 -0.707 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.896 3.532 -1.360 1.00 0.00 H new ATOM 553 N ILE A 34 9.070 5.690 -0.749 1.00 0.00 N ATOM 554 CA ILE A 34 8.632 6.816 0.067 1.00 0.00 C ATOM 555 C ILE A 34 7.233 6.577 0.624 1.00 0.00 C ATOM 556 O ILE A 34 6.966 6.849 1.795 1.00 0.00 O ATOM 557 CB ILE A 34 8.633 8.129 -0.739 1.00 0.00 C ATOM 558 CG1 ILE A 34 9.973 8.313 -1.455 1.00 0.00 C ATOM 559 CG2 ILE A 34 8.347 9.312 0.172 1.00 0.00 C ATOM 560 CD1 ILE A 34 10.047 9.578 -2.282 1.00 0.00 C ATOM 0 H ILE A 34 9.108 5.885 -1.750 1.00 0.00 H new ATOM 0 HA ILE A 34 9.340 6.904 0.891 1.00 0.00 H new ATOM 0 HB ILE A 34 7.845 8.076 -1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.773 8.325 -0.715 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.151 7.454 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.351 10.231 -0.413 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.370 9.184 0.639 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.114 9.370 0.944 1.00 0.00 H new ATOM 0 HD11 ILE A 34 11.024 9.643 -2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.269 9.560 -3.046 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.901 10.444 -1.636 1.00 0.00 H new ATOM 572 N LEU A 35 6.344 6.068 -0.222 1.00 0.00 N ATOM 573 CA LEU A 35 4.971 5.793 0.185 1.00 0.00 C ATOM 574 C LEU A 35 4.925 4.682 1.230 1.00 0.00 C ATOM 575 O LEU A 35 4.305 4.831 2.282 1.00 0.00 O ATOM 576 CB LEU A 35 4.126 5.403 -1.030 1.00 0.00 C ATOM 577 CG LEU A 35 2.682 5.007 -0.716 1.00 0.00 C ATOM 578 CD1 LEU A 35 1.810 6.245 -0.570 1.00 0.00 C ATOM 579 CD2 LEU A 35 2.134 4.091 -1.800 1.00 0.00 C ATOM 0 H LEU A 35 6.550 5.837 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 35 4.561 6.700 0.628 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.113 6.240 -1.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.612 4.571 -1.539 1.00 0.00 H new ATOM 0 HG LEU A 35 2.670 4.465 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.786 5.945 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.191 6.865 0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.827 6.814 -1.500 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.106 3.819 -1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.159 4.607 -2.760 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.744 3.189 -1.857 1.00 0.00 H new ATOM 591 N ALA A 36 5.585 3.567 0.931 1.00 0.00 N ATOM 592 CA ALA A 36 5.620 2.428 1.841 1.00 0.00 C ATOM 593 C ALA A 36 6.120 2.835 3.223 1.00 0.00 C ATOM 594 O ALA A 36 5.501 2.516 4.238 1.00 0.00 O ATOM 595 CB ALA A 36 6.495 1.322 1.267 1.00 0.00 C ATOM 0 H ALA A 36 6.104 3.428 0.064 1.00 0.00 H new ATOM 0 HA ALA A 36 4.602 2.055 1.951 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.513 0.478 1.956 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.091 0.999 0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 36 7.509 1.696 1.126 1.00 0.00 H new ATOM 601 N SER A 37 7.245 3.540 3.256 1.00 0.00 N ATOM 602 CA SER A 37 7.830 3.991 4.514 1.00 0.00 C ATOM 603 C SER A 37 6.855 4.876 5.284 1.00 0.00 C ATOM 604 O SER A 37 6.659 4.700 6.487 1.00 0.00 O ATOM 605 CB SER A 37 9.131 4.752 4.252 1.00 0.00 C ATOM 606 OG SER A 37 10.233 3.865 4.168 1.00 0.00 O ATOM 0 H SER A 37 7.771 3.812 2.425 1.00 0.00 H new ATOM 0 HA SER A 37 8.047 3.111 5.119 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.044 5.318 3.325 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.301 5.474 5.051 1.00 0.00 H new ATOM 0 HG SER A 37 11.052 4.376 3.998 1.00 0.00 H new ATOM 612 N ASP A 38 6.248 5.829 4.584 1.00 0.00 N ATOM 613 CA ASP A 38 5.296 6.744 5.204 1.00 0.00 C ATOM 614 C ASP A 38 4.024 6.011 5.619 1.00 0.00 C ATOM 615 O ASP A 38 3.455 6.285 6.676 1.00 0.00 O ATOM 616 CB ASP A 38 4.950 7.882 4.241 1.00 0.00 C ATOM 617 CG ASP A 38 5.851 9.087 4.425 1.00 0.00 C ATOM 618 OD1 ASP A 38 6.014 9.536 5.579 1.00 0.00 O ATOM 619 OD2 ASP A 38 6.393 9.582 3.415 1.00 0.00 O ATOM 0 H ASP A 38 6.398 5.988 3.588 1.00 0.00 H new ATOM 0 HA ASP A 38 5.761 7.160 6.098 1.00 0.00 H new ATOM 0 HB2 ASP A 38 5.032 7.524 3.215 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.913 8.180 4.393 1.00 0.00 H new ATOM 624 N LEU A 39 3.582 5.080 4.779 1.00 0.00 N ATOM 625 CA LEU A 39 2.375 4.309 5.059 1.00 0.00 C ATOM 626 C LEU A 39 2.492 3.568 6.387 1.00 0.00 C ATOM 627 O LEU A 39 1.588 3.620 7.220 1.00 0.00 O ATOM 628 CB LEU A 39 2.105 3.314 3.928 1.00 0.00 C ATOM 629 CG LEU A 39 0.628 3.009 3.671 1.00 0.00 C ATOM 630 CD1 LEU A 39 -0.106 4.262 3.215 1.00 0.00 C ATOM 631 CD2 LEU A 39 0.487 1.900 2.639 1.00 0.00 C ATOM 0 H LEU A 39 4.041 4.841 3.900 1.00 0.00 H new ATOM 0 HA LEU A 39 1.540 5.006 5.128 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.545 3.703 3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.619 2.380 4.156 1.00 0.00 H new ATOM 0 HG LEU A 39 0.178 2.671 4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.155 4.025 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.033 5.028 3.987 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.344 4.632 2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.570 1.695 2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.953 2.212 1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.977 0.998 3.005 1.00 0.00 H new ATOM 643 N GLN A 40 3.612 2.879 6.581 1.00 0.00 N ATOM 644 CA GLN A 40 3.845 2.128 7.809 1.00 0.00 C ATOM 645 C GLN A 40 4.093 3.067 8.986 1.00 0.00 C ATOM 646 O GLN A 40 3.779 2.740 10.131 1.00 0.00 O ATOM 647 CB GLN A 40 5.034 1.181 7.637 1.00 0.00 C ATOM 648 CG GLN A 40 6.333 1.892 7.297 1.00 0.00 C ATOM 649 CD GLN A 40 7.555 1.143 7.796 1.00 0.00 C ATOM 650 OE1 GLN A 40 7.912 0.092 7.264 1.00 0.00 O ATOM 651 NE2 GLN A 40 8.201 1.682 8.822 1.00 0.00 N ATOM 0 H GLN A 40 4.372 2.825 5.903 1.00 0.00 H new ATOM 0 HA GLN A 40 2.951 1.542 8.019 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.171 0.612 8.557 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.805 0.463 6.849 1.00 0.00 H new ATOM 0 HG2 GLN A 40 6.403 2.016 6.216 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.321 2.891 7.732 1.00 0.00 H new ATOM 0 HE21 GLN A 40 7.869 2.555 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.030 1.223 9.201 1.00 0.00 H new ATOM 660 N ARG A 41 4.662 4.234 8.698 1.00 0.00 N ATOM 661 CA ARG A 41 4.954 5.217 9.735 1.00 0.00 C ATOM 662 C ARG A 41 3.671 5.811 10.308 1.00 0.00 C ATOM 663 O ARG A 41 3.523 5.936 11.524 1.00 0.00 O ATOM 664 CB ARG A 41 5.842 6.331 9.174 1.00 0.00 C ATOM 665 CG ARG A 41 7.091 6.590 10.002 1.00 0.00 C ATOM 666 CD ARG A 41 8.204 7.190 9.160 1.00 0.00 C ATOM 667 NE ARG A 41 8.287 8.640 9.311 1.00 0.00 N ATOM 668 CZ ARG A 41 8.908 9.443 8.449 1.00 0.00 C ATOM 669 NH1 ARG A 41 9.502 8.940 7.375 1.00 0.00 N ATOM 670 NH2 ARG A 41 8.933 10.751 8.663 1.00 0.00 N ATOM 0 H ARG A 41 4.929 4.521 7.757 1.00 0.00 H new ATOM 0 HA ARG A 41 5.484 4.709 10.541 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.138 6.071 8.158 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.261 7.251 9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.851 7.265 10.823 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.434 5.656 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.156 6.741 9.445 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.037 6.944 8.111 1.00 0.00 H new ATOM 0 HE ARG A 41 7.843 9.063 10.126 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.484 7.934 7.206 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.976 9.559 6.718 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.477 11.142 9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.408 11.367 8.003 1.00 0.00 H new ATOM 684 N LEU A 42 2.748 6.180 9.426 1.00 0.00 N ATOM 685 CA LEU A 42 1.480 6.764 9.850 1.00 0.00 C ATOM 686 C LEU A 42 0.541 5.693 10.398 1.00 0.00 C ATOM 687 O LEU A 42 -0.218 5.941 11.335 1.00 0.00 O ATOM 688 CB LEU A 42 0.814 7.500 8.685 1.00 0.00 C ATOM 689 CG LEU A 42 0.620 6.669 7.414 1.00 0.00 C ATOM 690 CD1 LEU A 42 -0.794 6.115 7.350 1.00 0.00 C ATOM 691 CD2 LEU A 42 0.922 7.506 6.179 1.00 0.00 C ATOM 0 H LEU A 42 2.853 6.086 8.416 1.00 0.00 H new ATOM 0 HA LEU A 42 1.689 7.478 10.647 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.160 7.863 9.015 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.414 8.376 8.439 1.00 0.00 H new ATOM 0 HG LEU A 42 1.316 5.831 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.914 5.527 6.440 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.976 5.481 8.218 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.508 6.939 7.346 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.779 6.900 5.285 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.250 8.363 6.147 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.954 7.855 6.219 1.00 0.00 H new ATOM 703 N TYR A 43 0.599 4.503 9.811 1.00 0.00 N ATOM 704 CA TYR A 43 -0.245 3.395 10.245 1.00 0.00 C ATOM 705 C TYR A 43 0.563 2.380 11.049 1.00 0.00 C ATOM 706 O TYR A 43 0.423 1.171 10.865 1.00 0.00 O ATOM 707 CB TYR A 43 -0.894 2.717 9.038 1.00 0.00 C ATOM 708 CG TYR A 43 -2.302 3.192 8.763 1.00 0.00 C ATOM 709 CD1 TYR A 43 -3.251 3.234 9.776 1.00 0.00 C ATOM 710 CD2 TYR A 43 -2.681 3.599 7.491 1.00 0.00 C ATOM 711 CE1 TYR A 43 -4.540 3.667 9.529 1.00 0.00 C ATOM 712 CE2 TYR A 43 -3.969 4.033 7.235 1.00 0.00 C ATOM 713 CZ TYR A 43 -4.893 4.066 8.257 1.00 0.00 C ATOM 714 OH TYR A 43 -6.175 4.498 8.007 1.00 0.00 O ATOM 0 H TYR A 43 1.221 4.280 9.034 1.00 0.00 H new ATOM 0 HA TYR A 43 -1.029 3.795 10.888 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -0.280 2.898 8.156 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.908 1.639 9.201 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.977 2.923 10.773 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.959 3.576 6.689 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -5.267 3.693 10.328 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.249 4.344 6.240 1.00 0.00 H new ATOM 0 HH TYR A 43 -6.259 4.744 7.062 1.00 0.00 H new ATOM 724 N SER A 44 1.411 2.881 11.943 1.00 0.00 N ATOM 725 CA SER A 44 2.241 2.019 12.776 1.00 0.00 C ATOM 726 C SER A 44 1.382 1.062 13.597 1.00 0.00 C ATOM 727 O SER A 44 1.803 -0.051 13.914 1.00 0.00 O ATOM 728 CB SER A 44 3.119 2.862 13.705 1.00 0.00 C ATOM 729 OG SER A 44 3.156 4.215 13.285 1.00 0.00 O ATOM 0 H SER A 44 1.541 3.879 12.108 1.00 0.00 H new ATOM 0 HA SER A 44 2.881 1.430 12.119 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.735 2.805 14.724 1.00 0.00 H new ATOM 0 HB3 SER A 44 4.130 2.456 13.722 1.00 0.00 H new ATOM 0 HG SER A 44 3.417 4.258 12.341 1.00 0.00 H new ATOM 735 N VAL A 45 0.174 1.502 13.937 1.00 0.00 N ATOM 736 CA VAL A 45 -0.745 0.685 14.719 1.00 0.00 C ATOM 737 C VAL A 45 -1.354 -0.424 13.868 1.00 0.00 C ATOM 738 O VAL A 45 -1.650 -1.511 14.364 1.00 0.00 O ATOM 739 CB VAL A 45 -1.879 1.534 15.323 1.00 0.00 C ATOM 740 CG1 VAL A 45 -1.330 2.499 16.362 1.00 0.00 C ATOM 741 CG2 VAL A 45 -2.624 2.284 14.229 1.00 0.00 C ATOM 0 H VAL A 45 -0.190 2.420 13.683 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.164 0.242 15.528 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.583 0.866 15.819 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.146 3.090 16.777 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.846 1.937 17.161 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -0.603 3.163 15.894 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.422 2.879 14.674 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -1.932 2.941 13.702 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.053 1.570 13.526 1.00 0.00 H new ATOM 751 N ASP A 46 -1.538 -0.142 12.582 1.00 0.00 N ATOM 752 CA ASP A 46 -2.111 -1.116 11.660 1.00 0.00 C ATOM 753 C ASP A 46 -1.021 -1.984 11.040 1.00 0.00 C ATOM 754 O ASP A 46 -1.062 -3.210 11.136 1.00 0.00 O ATOM 755 CB ASP A 46 -2.902 -0.404 10.560 1.00 0.00 C ATOM 756 CG ASP A 46 -4.369 -0.250 10.910 1.00 0.00 C ATOM 757 OD1 ASP A 46 -4.671 0.052 12.084 1.00 0.00 O ATOM 758 OD2 ASP A 46 -5.216 -0.431 10.010 1.00 0.00 O ATOM 0 H ASP A 46 -1.299 0.753 12.155 1.00 0.00 H new ATOM 0 HA ASP A 46 -2.786 -1.760 12.223 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -2.468 0.580 10.383 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.810 -0.964 9.630 1.00 0.00 H new ATOM 763 N TYR A 47 -0.048 -1.340 10.404 1.00 0.00 N ATOM 764 CA TYR A 47 1.053 -2.053 9.768 1.00 0.00 C ATOM 765 C TYR A 47 2.141 -2.391 10.782 1.00 0.00 C ATOM 766 O TYR A 47 2.291 -3.544 11.185 1.00 0.00 O ATOM 767 CB TYR A 47 1.642 -1.217 8.631 1.00 0.00 C ATOM 768 CG TYR A 47 0.722 -1.083 7.438 1.00 0.00 C ATOM 769 CD1 TYR A 47 0.321 -2.201 6.717 1.00 0.00 C ATOM 770 CD2 TYR A 47 0.256 0.162 7.033 1.00 0.00 C ATOM 771 CE1 TYR A 47 -0.519 -2.082 5.626 1.00 0.00 C ATOM 772 CE2 TYR A 47 -0.585 0.288 5.943 1.00 0.00 C ATOM 773 CZ TYR A 47 -0.969 -0.837 5.244 1.00 0.00 C ATOM 774 OH TYR A 47 -1.805 -0.715 4.158 1.00 0.00 O ATOM 0 H TYR A 47 0.000 -0.325 10.315 1.00 0.00 H new ATOM 0 HA TYR A 47 0.660 -2.984 9.359 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.881 -0.223 9.008 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.580 -1.669 8.307 1.00 0.00 H new ATOM 0 HD1 TYR A 47 0.671 -3.179 7.014 1.00 0.00 H new ATOM 0 HD2 TYR A 47 0.555 1.045 7.578 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.821 -2.961 5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.939 1.262 5.641 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.031 0.229 4.023 1.00 0.00 H new ATOM 784 N GLY A 48 2.897 -1.378 11.191 1.00 0.00 N ATOM 785 CA GLY A 48 3.961 -1.588 12.155 1.00 0.00 C ATOM 786 C GLY A 48 5.336 -1.556 11.517 1.00 0.00 C ATOM 787 O GLY A 48 5.752 -0.533 10.973 1.00 0.00 O ATOM 0 H GLY A 48 2.792 -0.415 10.872 1.00 0.00 H new ATOM 0 HA2 GLY A 48 3.904 -0.821 12.927 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.815 -2.549 12.649 1.00 0.00 H new ATOM 791 N ARG A 49 6.044 -2.680 11.582 1.00 0.00 N ATOM 792 CA ARG A 49 7.380 -2.776 11.006 1.00 0.00 C ATOM 793 C ARG A 49 7.752 -4.231 10.737 1.00 0.00 C ATOM 794 O ARG A 49 8.924 -4.603 10.800 1.00 0.00 O ATOM 795 CB ARG A 49 8.409 -2.140 11.941 1.00 0.00 C ATOM 796 CG ARG A 49 8.240 -2.543 13.397 1.00 0.00 C ATOM 797 CD ARG A 49 9.332 -1.947 14.271 1.00 0.00 C ATOM 798 NE ARG A 49 9.625 -2.786 15.430 1.00 0.00 N ATOM 799 CZ ARG A 49 10.527 -2.479 16.358 1.00 0.00 C ATOM 800 NH1 ARG A 49 11.227 -1.355 16.268 1.00 0.00 N ATOM 801 NH2 ARG A 49 10.731 -3.298 17.381 1.00 0.00 N ATOM 0 H ARG A 49 5.714 -3.536 12.028 1.00 0.00 H new ATOM 0 HA ARG A 49 7.379 -2.237 10.058 1.00 0.00 H new ATOM 0 HB2 ARG A 49 9.409 -2.418 11.610 1.00 0.00 H new ATOM 0 HB3 ARG A 49 8.337 -1.055 11.862 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.265 -2.213 13.756 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.259 -3.630 13.479 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.238 -1.816 13.680 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.026 -0.957 14.608 1.00 0.00 H new ATOM 0 HE ARG A 49 9.107 -3.659 15.534 1.00 0.00 H new ATOM 0 HH11 ARG A 49 11.075 -0.721 15.484 1.00 0.00 H new ATOM 0 HH12 ARG A 49 11.917 -1.125 16.983 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.196 -4.163 17.456 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.423 -3.063 18.093 1.00 0.00 H new ATOM 815 N ARG A 50 6.749 -5.048 10.438 1.00 0.00 N ATOM 816 CA ARG A 50 6.971 -6.461 10.160 1.00 0.00 C ATOM 817 C ARG A 50 7.303 -6.679 8.687 1.00 0.00 C ATOM 818 O ARG A 50 6.660 -6.110 7.805 1.00 0.00 O ATOM 819 CB ARG A 50 5.735 -7.279 10.543 1.00 0.00 C ATOM 820 CG ARG A 50 5.810 -7.877 11.939 1.00 0.00 C ATOM 821 CD ARG A 50 4.584 -8.719 12.250 1.00 0.00 C ATOM 822 NE ARG A 50 4.928 -9.940 12.975 1.00 0.00 N ATOM 823 CZ ARG A 50 4.034 -10.846 13.368 1.00 0.00 C ATOM 824 NH1 ARG A 50 2.744 -10.671 13.107 1.00 0.00 N ATOM 825 NH2 ARG A 50 4.431 -11.929 14.022 1.00 0.00 N ATOM 0 H ARG A 50 5.773 -4.756 10.382 1.00 0.00 H new ATOM 0 HA ARG A 50 7.818 -6.795 10.759 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.853 -6.642 10.476 1.00 0.00 H new ATOM 0 HB3 ARG A 50 5.603 -8.083 9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 50 6.706 -8.491 12.025 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.900 -7.077 12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 50 3.882 -8.132 12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.078 -8.980 11.320 1.00 0.00 H new ATOM 0 HE ARG A 50 5.910 -10.109 13.193 1.00 0.00 H new ATOM 0 HH11 ARG A 50 2.434 -9.840 12.603 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.063 -11.368 13.410 1.00 0.00 H new ATOM 0 HH21 ARG A 50 5.421 -12.068 14.224 1.00 0.00 H new ATOM 0 HH22 ARG A 50 3.746 -12.623 14.323 1.00 0.00 H new ATOM 839 N LYS A 51 8.311 -7.507 8.428 1.00 0.00 N ATOM 840 CA LYS A 51 8.726 -7.799 7.062 1.00 0.00 C ATOM 841 C LYS A 51 9.169 -6.528 6.344 1.00 0.00 C ATOM 842 O LYS A 51 8.369 -5.865 5.685 1.00 0.00 O ATOM 843 CB LYS A 51 7.582 -8.459 6.291 1.00 0.00 C ATOM 844 CG LYS A 51 7.552 -9.974 6.422 1.00 0.00 C ATOM 845 CD LYS A 51 8.863 -10.602 5.974 1.00 0.00 C ATOM 846 CE LYS A 51 8.634 -11.711 4.959 1.00 0.00 C ATOM 847 NZ LYS A 51 8.135 -12.958 5.603 1.00 0.00 N ATOM 0 H LYS A 51 8.854 -7.986 9.146 1.00 0.00 H new ATOM 0 HA LYS A 51 9.572 -8.485 7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.635 -8.053 6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 51 7.666 -8.196 5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.353 -10.246 7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 51 6.733 -10.375 5.825 1.00 0.00 H new ATOM 0 HD2 LYS A 51 9.504 -9.836 5.538 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.390 -11.003 6.840 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.915 -11.376 4.211 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.566 -11.921 4.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 7.991 -13.690 4.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 8.832 -13.292 6.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.233 -12.764 6.082 1.00 0.00 H new ATOM 861 N ARG A 52 10.449 -6.193 6.477 1.00 0.00 N ATOM 862 CA ARG A 52 10.995 -4.999 5.842 1.00 0.00 C ATOM 863 C ARG A 52 10.997 -5.139 4.322 1.00 0.00 C ATOM 864 O ARG A 52 10.374 -4.347 3.616 1.00 0.00 O ATOM 865 CB ARG A 52 12.417 -4.737 6.341 1.00 0.00 C ATOM 866 CG ARG A 52 12.471 -4.107 7.724 1.00 0.00 C ATOM 867 CD ARG A 52 12.919 -5.108 8.777 1.00 0.00 C ATOM 868 NE ARG A 52 14.342 -5.418 8.665 1.00 0.00 N ATOM 869 CZ ARG A 52 14.925 -6.451 9.270 1.00 0.00 C ATOM 870 NH1 ARG A 52 14.211 -7.274 10.028 1.00 0.00 N ATOM 871 NH2 ARG A 52 16.225 -6.663 9.114 1.00 0.00 N ATOM 0 H ARG A 52 11.126 -6.731 7.018 1.00 0.00 H new ATOM 0 HA ARG A 52 10.359 -4.155 6.109 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.966 -5.678 6.358 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.927 -4.083 5.633 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.156 -3.259 7.712 1.00 0.00 H new ATOM 0 HG3 ARG A 52 11.487 -3.718 7.986 1.00 0.00 H new ATOM 0 HD2 ARG A 52 12.712 -4.708 9.769 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.339 -6.025 8.676 1.00 0.00 H new ATOM 0 HE ARG A 52 14.923 -4.808 8.090 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.211 -7.117 10.149 1.00 0.00 H new ATOM 0 HH12 ARG A 52 14.663 -8.064 10.489 1.00 0.00 H new ATOM 0 HH21 ARG A 52 16.778 -6.035 8.531 1.00 0.00 H new ATOM 0 HH22 ARG A 52 16.672 -7.454 9.577 1.00 0.00 H new ATOM 885 N ASN A 53 11.703 -6.150 3.827 1.00 0.00 N ATOM 886 CA ASN A 53 11.789 -6.392 2.390 1.00 0.00 C ATOM 887 C ASN A 53 10.429 -6.779 1.816 1.00 0.00 C ATOM 888 O ASN A 53 10.010 -6.257 0.783 1.00 0.00 O ATOM 889 CB ASN A 53 12.810 -7.493 2.098 1.00 0.00 C ATOM 890 CG ASN A 53 13.479 -7.316 0.749 1.00 0.00 C ATOM 891 OD1 ASN A 53 12.824 -7.363 -0.292 1.00 0.00 O ATOM 892 ND2 ASN A 53 14.792 -7.112 0.760 1.00 0.00 N ATOM 0 H ASN A 53 12.224 -6.815 4.399 1.00 0.00 H new ATOM 0 HA ASN A 53 12.113 -5.467 1.912 1.00 0.00 H new ATOM 0 HB2 ASN A 53 13.570 -7.497 2.880 1.00 0.00 H new ATOM 0 HB3 ASN A 53 12.314 -8.463 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.296 -6.987 -0.118 1.00 0.00 H new ATOM 0 HD22 ASN A 53 15.296 -7.080 1.646 1.00 0.00 H new ATOM 899 N ALA A 54 9.746 -7.698 2.490 1.00 0.00 N ATOM 900 CA ALA A 54 8.435 -8.156 2.043 1.00 0.00 C ATOM 901 C ALA A 54 7.457 -6.992 1.918 1.00 0.00 C ATOM 902 O ALA A 54 6.762 -6.859 0.911 1.00 0.00 O ATOM 903 CB ALA A 54 7.891 -9.210 2.997 1.00 0.00 C ATOM 0 H ALA A 54 10.078 -8.140 3.347 1.00 0.00 H new ATOM 0 HA ALA A 54 8.551 -8.602 1.055 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.912 -9.543 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.573 -10.060 3.028 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.797 -8.783 3.996 1.00 0.00 H new ATOM 909 N PHE A 55 7.407 -6.149 2.946 1.00 0.00 N ATOM 910 CA PHE A 55 6.514 -4.997 2.944 1.00 0.00 C ATOM 911 C PHE A 55 6.812 -4.081 1.762 1.00 0.00 C ATOM 912 O PHE A 55 5.901 -3.534 1.142 1.00 0.00 O ATOM 913 CB PHE A 55 6.644 -4.218 4.255 1.00 0.00 C ATOM 914 CG PHE A 55 5.679 -3.073 4.371 1.00 0.00 C ATOM 915 CD1 PHE A 55 4.367 -3.292 4.761 1.00 0.00 C ATOM 916 CD2 PHE A 55 6.082 -1.777 4.091 1.00 0.00 C ATOM 917 CE1 PHE A 55 3.476 -2.241 4.868 1.00 0.00 C ATOM 918 CE2 PHE A 55 5.196 -0.722 4.197 1.00 0.00 C ATOM 919 CZ PHE A 55 3.891 -0.954 4.586 1.00 0.00 C ATOM 0 H PHE A 55 7.974 -6.243 3.789 1.00 0.00 H new ATOM 0 HA PHE A 55 5.492 -5.363 2.849 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.488 -4.900 5.091 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.661 -3.836 4.342 1.00 0.00 H new ATOM 0 HD1 PHE A 55 4.037 -4.296 4.984 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.101 -1.589 3.786 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.456 -2.426 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.524 0.283 3.976 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.197 -0.131 4.669 1.00 0.00 H new ATOM 929 N ARG A 56 8.095 -3.922 1.454 1.00 0.00 N ATOM 930 CA ARG A 56 8.514 -3.076 0.343 1.00 0.00 C ATOM 931 C ARG A 56 7.950 -3.598 -0.974 1.00 0.00 C ATOM 932 O ARG A 56 7.502 -2.824 -1.820 1.00 0.00 O ATOM 933 CB ARG A 56 10.041 -3.015 0.268 1.00 0.00 C ATOM 934 CG ARG A 56 10.655 -1.992 1.209 1.00 0.00 C ATOM 935 CD ARG A 56 11.003 -0.703 0.480 1.00 0.00 C ATOM 936 NE ARG A 56 12.118 -0.001 1.111 1.00 0.00 N ATOM 937 CZ ARG A 56 13.357 -0.482 1.174 1.00 0.00 C ATOM 938 NH1 ARG A 56 13.645 -1.665 0.646 1.00 0.00 N ATOM 939 NH2 ARG A 56 14.312 0.223 1.766 1.00 0.00 N ATOM 0 H ARG A 56 8.862 -4.368 1.958 1.00 0.00 H new ATOM 0 HA ARG A 56 8.126 -2.072 0.514 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.448 -3.999 0.499 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.337 -2.780 -0.754 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.958 -1.777 2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.554 -2.408 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.257 -0.929 -0.556 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.130 -0.051 0.459 1.00 0.00 H new ATOM 0 HE ARG A 56 11.936 0.912 1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.915 -2.211 0.189 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.597 -2.028 0.697 1.00 0.00 H new ATOM 0 HH21 ARG A 56 14.096 1.133 2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 56 15.262 -0.145 1.815 1.00 0.00 H new ATOM 953 N ILE A 57 7.973 -4.917 -1.137 1.00 0.00 N ATOM 954 CA ILE A 57 7.461 -5.545 -2.349 1.00 0.00 C ATOM 955 C ILE A 57 5.953 -5.350 -2.467 1.00 0.00 C ATOM 956 O ILE A 57 5.426 -5.155 -3.564 1.00 0.00 O ATOM 957 CB ILE A 57 7.780 -7.053 -2.380 1.00 0.00 C ATOM 958 CG1 ILE A 57 9.274 -7.285 -2.144 1.00 0.00 C ATOM 959 CG2 ILE A 57 7.345 -7.665 -3.706 1.00 0.00 C ATOM 960 CD1 ILE A 57 9.588 -8.640 -1.547 1.00 0.00 C ATOM 0 H ILE A 57 8.340 -5.571 -0.446 1.00 0.00 H new ATOM 0 HA ILE A 57 7.956 -5.063 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 57 7.224 -7.541 -1.580 1.00 0.00 H new ATOM 0 HG12 ILE A 57 9.803 -7.183 -3.091 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.654 -6.508 -1.481 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.578 -8.730 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.271 -7.528 -3.835 1.00 0.00 H new ATOM 0 HG23 ILE A 57 7.874 -7.175 -4.524 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.665 -8.735 -1.407 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.087 -8.738 -0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.239 -9.424 -2.219 1.00 0.00 H new ATOM 972 N GLN A 58 5.264 -5.404 -1.332 1.00 0.00 N ATOM 973 CA GLN A 58 3.816 -5.232 -1.310 1.00 0.00 C ATOM 974 C GLN A 58 3.432 -3.832 -1.775 1.00 0.00 C ATOM 975 O GLN A 58 2.527 -3.664 -2.591 1.00 0.00 O ATOM 976 CB GLN A 58 3.273 -5.481 0.098 1.00 0.00 C ATOM 977 CG GLN A 58 3.335 -6.938 0.526 1.00 0.00 C ATOM 978 CD GLN A 58 2.737 -7.168 1.899 1.00 0.00 C ATOM 979 OE1 GLN A 58 1.523 -7.091 2.082 1.00 0.00 O ATOM 980 NE2 GLN A 58 3.591 -7.452 2.876 1.00 0.00 N ATOM 0 H GLN A 58 5.684 -5.565 -0.417 1.00 0.00 H new ATOM 0 HA GLN A 58 3.376 -5.958 -1.994 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.839 -4.878 0.808 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.238 -5.141 0.145 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.805 -7.550 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.374 -7.269 0.526 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.591 -7.506 2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.247 -7.616 3.822 1.00 0.00 H new ATOM 989 N VAL A 59 4.130 -2.828 -1.252 1.00 0.00 N ATOM 990 CA VAL A 59 3.864 -1.442 -1.616 1.00 0.00 C ATOM 991 C VAL A 59 4.319 -1.154 -3.042 1.00 0.00 C ATOM 992 O VAL A 59 3.666 -0.414 -3.775 1.00 0.00 O ATOM 993 CB VAL A 59 4.565 -0.463 -0.657 1.00 0.00 C ATOM 994 CG1 VAL A 59 4.122 0.968 -0.933 1.00 0.00 C ATOM 995 CG2 VAL A 59 4.292 -0.847 0.791 1.00 0.00 C ATOM 0 H VAL A 59 4.883 -2.949 -0.575 1.00 0.00 H new ATOM 0 HA VAL A 59 2.786 -1.297 -1.544 1.00 0.00 H new ATOM 0 HB VAL A 59 5.640 -0.523 -0.827 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.629 1.645 -0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.376 1.236 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.044 1.049 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.795 -0.144 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.219 -0.819 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.666 -1.854 0.977 1.00 0.00 H new ATOM 1005 N GLU A 60 5.443 -1.749 -3.428 1.00 0.00 N ATOM 1006 CA GLU A 60 5.984 -1.558 -4.769 1.00 0.00 C ATOM 1007 C GLU A 60 4.998 -2.053 -5.822 1.00 0.00 C ATOM 1008 O GLU A 60 4.721 -1.360 -6.801 1.00 0.00 O ATOM 1009 CB GLU A 60 7.317 -2.295 -4.914 1.00 0.00 C ATOM 1010 CG GLU A 60 8.523 -1.450 -4.534 1.00 0.00 C ATOM 1011 CD GLU A 60 9.269 -0.923 -5.744 1.00 0.00 C ATOM 1012 OE1 GLU A 60 8.668 -0.876 -6.838 1.00 0.00 O ATOM 1013 OE2 GLU A 60 10.453 -0.556 -5.596 1.00 0.00 O ATOM 0 H GLU A 60 5.996 -2.366 -2.833 1.00 0.00 H new ATOM 0 HA GLU A 60 6.150 -0.492 -4.922 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.299 -3.189 -4.290 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.428 -2.629 -5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.195 -0.611 -3.920 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.202 -2.046 -3.924 1.00 0.00 H new ATOM 1020 N LYS A 61 4.467 -3.253 -5.609 1.00 0.00 N ATOM 1021 CA LYS A 61 3.507 -3.838 -6.536 1.00 0.00 C ATOM 1022 C LYS A 61 2.151 -3.152 -6.412 1.00 0.00 C ATOM 1023 O LYS A 61 1.416 -3.024 -7.391 1.00 0.00 O ATOM 1024 CB LYS A 61 3.361 -5.339 -6.272 1.00 0.00 C ATOM 1025 CG LYS A 61 4.245 -6.200 -7.159 1.00 0.00 C ATOM 1026 CD LYS A 61 5.719 -5.916 -6.921 1.00 0.00 C ATOM 1027 CE LYS A 61 6.547 -7.188 -6.967 1.00 0.00 C ATOM 1028 NZ LYS A 61 7.058 -7.469 -8.337 1.00 0.00 N ATOM 0 H LYS A 61 4.686 -3.838 -4.803 1.00 0.00 H new ATOM 0 HA LYS A 61 3.878 -3.691 -7.550 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.601 -5.541 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.320 -5.626 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.041 -7.253 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.002 -6.015 -8.205 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.082 -5.217 -7.675 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.845 -5.433 -5.952 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.387 -7.100 -6.277 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.941 -8.028 -6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 7.618 -8.345 -8.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.257 -7.579 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.657 -6.680 -8.653 1.00 0.00 H new ATOM 1042 N VAL A 62 1.828 -2.708 -5.201 1.00 0.00 N ATOM 1043 CA VAL A 62 0.564 -2.030 -4.947 1.00 0.00 C ATOM 1044 C VAL A 62 0.580 -0.615 -5.520 1.00 0.00 C ATOM 1045 O VAL A 62 -0.451 -0.092 -5.935 1.00 0.00 O ATOM 1046 CB VAL A 62 0.242 -1.982 -3.436 1.00 0.00 C ATOM 1047 CG1 VAL A 62 -0.765 -0.882 -3.122 1.00 0.00 C ATOM 1048 CG2 VAL A 62 -0.278 -3.333 -2.964 1.00 0.00 C ATOM 0 H VAL A 62 2.426 -2.806 -4.380 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.217 -2.604 -5.446 1.00 0.00 H new ATOM 0 HB VAL A 62 1.163 -1.754 -2.900 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.972 -0.873 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.355 0.083 -3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.690 -1.068 -3.669 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.501 -3.285 -1.898 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.185 -3.586 -3.513 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.479 -4.097 -3.142 1.00 0.00 H new ATOM 1058 N PHE A 63 1.755 0.000 -5.537 1.00 0.00 N ATOM 1059 CA PHE A 63 1.895 1.353 -6.060 1.00 0.00 C ATOM 1060 C PHE A 63 1.737 1.363 -7.577 1.00 0.00 C ATOM 1061 O PHE A 63 1.102 2.254 -8.142 1.00 0.00 O ATOM 1062 CB PHE A 63 3.256 1.933 -5.672 1.00 0.00 C ATOM 1063 CG PHE A 63 3.425 3.375 -6.055 1.00 0.00 C ATOM 1064 CD1 PHE A 63 2.998 4.386 -5.209 1.00 0.00 C ATOM 1065 CD2 PHE A 63 4.012 3.720 -7.263 1.00 0.00 C ATOM 1066 CE1 PHE A 63 3.151 5.714 -5.560 1.00 0.00 C ATOM 1067 CE2 PHE A 63 4.169 5.046 -7.618 1.00 0.00 C ATOM 1068 CZ PHE A 63 3.738 6.044 -6.766 1.00 0.00 C ATOM 0 H PHE A 63 2.622 -0.414 -5.196 1.00 0.00 H new ATOM 0 HA PHE A 63 1.109 1.971 -5.625 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.391 1.833 -4.595 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.041 1.345 -6.147 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.540 4.133 -4.264 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.350 2.944 -7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.812 6.492 -4.892 1.00 0.00 H new ATOM 0 HE2 PHE A 63 4.629 5.302 -8.561 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.860 7.081 -7.042 1.00 0.00 H new ATOM 1078 N SER A 64 2.323 0.367 -8.232 1.00 0.00 N ATOM 1079 CA SER A 64 2.252 0.256 -9.684 1.00 0.00 C ATOM 1080 C SER A 64 0.877 -0.225 -10.140 1.00 0.00 C ATOM 1081 O SER A 64 0.410 0.139 -11.220 1.00 0.00 O ATOM 1082 CB SER A 64 3.331 -0.701 -10.193 1.00 0.00 C ATOM 1083 OG SER A 64 3.083 -2.028 -9.760 1.00 0.00 O ATOM 0 H SER A 64 2.854 -0.377 -7.779 1.00 0.00 H new ATOM 0 HA SER A 64 2.420 1.248 -10.102 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.364 -0.671 -11.282 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.308 -0.375 -9.836 1.00 0.00 H new ATOM 0 HG SER A 64 2.535 -2.010 -8.948 1.00 0.00 H new ATOM 1089 N ILE A 65 0.241 -1.060 -9.323 1.00 0.00 N ATOM 1090 CA ILE A 65 -1.071 -1.605 -9.659 1.00 0.00 C ATOM 1091 C ILE A 65 -2.187 -0.579 -9.461 1.00 0.00 C ATOM 1092 O ILE A 65 -3.083 -0.462 -10.295 1.00 0.00 O ATOM 1093 CB ILE A 65 -1.379 -2.875 -8.834 1.00 0.00 C ATOM 1094 CG1 ILE A 65 -2.523 -3.660 -9.476 1.00 0.00 C ATOM 1095 CG2 ILE A 65 -1.713 -2.523 -7.391 1.00 0.00 C ATOM 1096 CD1 ILE A 65 -2.859 -4.943 -8.747 1.00 0.00 C ATOM 0 H ILE A 65 0.612 -1.373 -8.426 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.035 -1.868 -10.716 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.487 -3.501 -8.827 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.411 -3.029 -9.512 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.258 -3.896 -10.507 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.925 -3.435 -6.834 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.866 -2.009 -6.936 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.587 -1.872 -7.368 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.679 -5.448 -9.258 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.985 -5.594 -8.734 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.156 -4.713 -7.724 1.00 0.00 H new ATOM 1108 N ILE A 66 -2.133 0.156 -8.357 1.00 0.00 N ATOM 1109 CA ILE A 66 -3.150 1.162 -8.061 1.00 0.00 C ATOM 1110 C ILE A 66 -3.315 2.149 -9.214 1.00 0.00 C ATOM 1111 O ILE A 66 -4.416 2.629 -9.481 1.00 0.00 O ATOM 1112 CB ILE A 66 -2.816 1.950 -6.780 1.00 0.00 C ATOM 1113 CG1 ILE A 66 -1.426 2.576 -6.886 1.00 0.00 C ATOM 1114 CG2 ILE A 66 -2.908 1.046 -5.560 1.00 0.00 C ATOM 1115 CD1 ILE A 66 -1.054 3.426 -5.692 1.00 0.00 C ATOM 0 H ILE A 66 -1.399 0.076 -7.653 1.00 0.00 H new ATOM 0 HA ILE A 66 -4.083 0.618 -7.915 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.545 2.752 -6.666 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.687 1.783 -7.002 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.380 3.189 -7.786 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.669 1.619 -4.664 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.919 0.648 -5.477 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.202 0.222 -5.663 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.055 3.838 -5.836 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.771 4.240 -5.588 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.067 2.813 -4.791 1.00 0.00 H new ATOM 1127 N SER A 67 -2.215 2.456 -9.889 1.00 0.00 N ATOM 1128 CA SER A 67 -2.242 3.393 -11.005 1.00 0.00 C ATOM 1129 C SER A 67 -2.854 2.762 -12.253 1.00 0.00 C ATOM 1130 O SER A 67 -3.745 3.335 -12.877 1.00 0.00 O ATOM 1131 CB SER A 67 -0.827 3.888 -11.314 1.00 0.00 C ATOM 1132 OG SER A 67 -0.859 5.119 -12.016 1.00 0.00 O ATOM 0 H SER A 67 -1.293 2.070 -9.684 1.00 0.00 H new ATOM 0 HA SER A 67 -2.866 4.237 -10.713 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.270 4.010 -10.385 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.299 3.141 -11.907 1.00 0.00 H new ATOM 0 HG SER A 67 0.057 5.415 -12.200 1.00 0.00 H new ATOM 1138 N SER A 68 -2.357 1.585 -12.620 1.00 0.00 N ATOM 1139 CA SER A 68 -2.841 0.884 -13.806 1.00 0.00 C ATOM 1140 C SER A 68 -4.217 0.259 -13.582 1.00 0.00 C ATOM 1141 O SER A 68 -5.125 0.432 -14.396 1.00 0.00 O ATOM 1142 CB SER A 68 -1.843 -0.200 -14.214 1.00 0.00 C ATOM 1143 OG SER A 68 -2.252 -0.848 -15.406 1.00 0.00 O ATOM 0 H SER A 68 -1.619 1.096 -12.114 1.00 0.00 H new ATOM 0 HA SER A 68 -2.937 1.620 -14.604 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.858 0.244 -14.357 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.749 -0.932 -13.412 1.00 0.00 H new ATOM 0 HG SER A 68 -1.596 -1.536 -15.646 1.00 0.00 H new ATOM 1149 N GLU A 69 -4.364 -0.484 -12.490 1.00 0.00 N ATOM 1150 CA GLU A 69 -5.620 -1.151 -12.178 1.00 0.00 C ATOM 1151 C GLU A 69 -6.741 -0.149 -11.908 1.00 0.00 C ATOM 1152 O GLU A 69 -7.833 -0.265 -12.464 1.00 0.00 O ATOM 1153 CB GLU A 69 -5.431 -2.065 -10.968 1.00 0.00 C ATOM 1154 CG GLU A 69 -6.707 -2.747 -10.519 1.00 0.00 C ATOM 1155 CD GLU A 69 -6.502 -4.210 -10.176 1.00 0.00 C ATOM 1156 OE1 GLU A 69 -5.365 -4.581 -9.817 1.00 0.00 O ATOM 1157 OE2 GLU A 69 -7.479 -4.984 -10.268 1.00 0.00 O ATOM 0 H GLU A 69 -3.625 -0.639 -11.805 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.910 -1.744 -13.045 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.688 -2.825 -11.210 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.031 -1.480 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.105 -2.227 -9.648 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.455 -2.665 -11.308 1.00 0.00 H new ATOM 1164 N LYS A 70 -6.472 0.828 -11.048 1.00 0.00 N ATOM 1165 CA LYS A 70 -7.470 1.835 -10.709 1.00 0.00 C ATOM 1166 C LYS A 70 -7.453 2.988 -11.709 1.00 0.00 C ATOM 1167 O LYS A 70 -8.484 3.336 -12.284 1.00 0.00 O ATOM 1168 CB LYS A 70 -7.233 2.358 -9.291 1.00 0.00 C ATOM 1169 CG LYS A 70 -8.397 2.103 -8.351 1.00 0.00 C ATOM 1170 CD LYS A 70 -8.348 0.698 -7.773 1.00 0.00 C ATOM 1171 CE LYS A 70 -8.838 0.670 -6.333 1.00 0.00 C ATOM 1172 NZ LYS A 70 -10.287 0.995 -6.232 1.00 0.00 N ATOM 0 H LYS A 70 -5.576 0.943 -10.575 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.453 1.365 -10.754 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.337 1.889 -8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.039 3.430 -9.335 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.378 2.832 -7.541 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.336 2.245 -8.886 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.961 0.032 -8.380 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.327 0.320 -7.818 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.657 -0.317 -5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.264 1.383 -5.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.581 0.965 -5.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.457 1.947 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.837 0.300 -6.776 1.00 0.00 H new ATOM 1186 N GLU A 71 -6.277 3.578 -11.910 1.00 0.00 N ATOM 1187 CA GLU A 71 -6.122 4.694 -12.841 1.00 0.00 C ATOM 1188 C GLU A 71 -7.232 5.729 -12.653 1.00 0.00 C ATOM 1189 O GLU A 71 -7.955 5.699 -11.657 1.00 0.00 O ATOM 1190 CB GLU A 71 -6.112 4.185 -14.286 1.00 0.00 C ATOM 1191 CG GLU A 71 -7.458 3.666 -14.766 1.00 0.00 C ATOM 1192 CD GLU A 71 -7.502 3.457 -16.267 1.00 0.00 C ATOM 1193 OE1 GLU A 71 -7.103 2.366 -16.727 1.00 0.00 O ATOM 1194 OE2 GLU A 71 -7.934 4.384 -16.983 1.00 0.00 O ATOM 0 H GLU A 71 -5.415 3.301 -11.440 1.00 0.00 H new ATOM 0 HA GLU A 71 -5.169 5.178 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.790 4.993 -14.943 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -5.374 3.388 -14.375 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.679 2.723 -14.265 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.238 4.371 -14.478 1.00 0.00 H new ATOM 1201 N LEU A 72 -7.361 6.639 -13.613 1.00 0.00 N ATOM 1202 CA LEU A 72 -8.383 7.677 -13.549 1.00 0.00 C ATOM 1203 C LEU A 72 -9.777 7.064 -13.448 1.00 0.00 C ATOM 1204 O LEU A 72 -10.049 6.018 -14.039 1.00 0.00 O ATOM 1205 CB LEU A 72 -8.298 8.582 -14.779 1.00 0.00 C ATOM 1206 CG LEU A 72 -7.232 9.675 -14.707 1.00 0.00 C ATOM 1207 CD1 LEU A 72 -6.982 10.269 -16.085 1.00 0.00 C ATOM 1208 CD2 LEU A 72 -7.646 10.758 -13.724 1.00 0.00 C ATOM 0 H LEU A 72 -6.771 6.679 -14.444 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.204 8.274 -12.655 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.102 7.962 -15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.269 9.053 -14.932 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.303 9.228 -14.354 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.220 11.045 -16.014 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -6.640 9.486 -16.762 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.906 10.702 -16.468 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.876 11.528 -13.685 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -8.587 11.202 -14.047 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.772 10.321 -12.733 1.00 0.00 H new ATOM 1220 N LYS A 73 -10.654 7.720 -12.697 1.00 0.00 N ATOM 1221 CA LYS A 73 -12.020 7.239 -12.519 1.00 0.00 C ATOM 1222 C LYS A 73 -12.030 5.865 -11.856 1.00 0.00 C ATOM 1223 O LYS A 73 -10.977 5.294 -11.571 1.00 0.00 O ATOM 1224 CB LYS A 73 -12.741 7.174 -13.866 1.00 0.00 C ATOM 1225 CG LYS A 73 -12.779 8.504 -14.601 1.00 0.00 C ATOM 1226 CD LYS A 73 -13.726 8.457 -15.789 1.00 0.00 C ATOM 1227 CE LYS A 73 -15.178 8.535 -15.348 1.00 0.00 C ATOM 1228 NZ LYS A 73 -15.768 7.184 -15.137 1.00 0.00 N ATOM 0 H LYS A 73 -10.444 8.586 -12.201 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.544 7.940 -11.869 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -12.249 6.434 -14.497 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.762 6.828 -13.706 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -13.093 9.291 -13.915 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.776 8.760 -14.943 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -13.505 9.283 -16.464 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -13.564 7.536 -16.349 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.246 9.109 -14.424 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -15.757 9.071 -16.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.590 7.063 -15.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.057 6.457 -15.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -16.069 7.088 -14.146 1.00 0.00 H new ATOM 1242 N ASN A 74 -13.227 5.339 -11.614 1.00 0.00 N ATOM 1243 CA ASN A 74 -13.374 4.032 -10.985 1.00 0.00 C ATOM 1244 C ASN A 74 -13.120 2.913 -11.990 1.00 0.00 C ATOM 1245 O ASN A 74 -12.853 3.226 -13.170 1.00 0.00 O ATOM 1246 CB ASN A 74 -14.773 3.886 -10.385 1.00 0.00 C ATOM 1247 CG ASN A 74 -14.792 2.965 -9.181 1.00 0.00 C ATOM 1248 OD1 ASN A 74 -14.805 3.420 -8.037 1.00 0.00 O ATOM 1249 ND2 ASN A 74 -14.795 1.661 -9.432 1.00 0.00 N ATOM 1250 OXT ASN A 74 -13.191 1.731 -11.590 1.00 0.00 O ATOM 0 H ASN A 74 -14.108 5.798 -11.844 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.635 3.955 -10.188 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -15.145 4.868 -10.094 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -15.453 3.500 -11.145 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -14.809 0.993 -8.661 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -14.784 1.327 -10.396 1.00 0.00 H new TER 1257 ASN A 74