USER MOD reduce.3.24.130724 H: found=0, std=0, add=646, rem=0, adj=15 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 127:sc= -0.439! USER MOD Set 1.2: A 43 TYR OH : rot 70:sc= 0.293 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 165:sc= -0.0109 (180deg=-0.0987) USER MOD Single : A 15 GLN : amide:sc= -0.139 K(o=-0.14,f=-1.9!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.0063) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -2.55 K(o=-2.5,f=-0.87) USER MOD Single : A 26 CYS SG : rot -13:sc= -0.177 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 -175:sc= 1.04 USER MOD Single : A 37 SER OG : rot 180:sc= 0.122 USER MOD Single : A 40 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.852 USER MOD Single : A 51 LYS NZ :NH3+ 156:sc= -0.0381 (180deg=-0.26) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 58 GLN : amide:sc= -0.0449 X(o=-0.045,f=-0.07) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 76:sc= 0.204 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0423 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= -1.11 K(o=-1.1,f=-2.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.940 -15.389 7.713 1.00 0.00 N ATOM 2 CA MET A 1 -23.301 -14.422 8.643 1.00 0.00 C ATOM 3 C MET A 1 -21.805 -14.690 8.775 1.00 0.00 C ATOM 4 O MET A 1 -21.394 -15.768 9.202 1.00 0.00 O ATOM 5 CB MET A 1 -23.986 -14.538 10.007 1.00 0.00 C ATOM 6 CG MET A 1 -24.568 -13.225 10.508 1.00 0.00 C ATOM 7 SD MET A 1 -23.432 -12.325 11.580 1.00 0.00 S ATOM 8 CE MET A 1 -24.564 -11.222 12.422 1.00 0.00 C ATOM 0 H1 MET A 1 -24.957 -15.183 7.643 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.504 -15.306 6.772 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.807 -16.356 8.072 1.00 0.00 H new ATOM 0 HA MET A 1 -23.416 -13.412 8.249 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.783 -15.278 9.942 1.00 0.00 H new ATOM 0 HB3 MET A 1 -23.265 -14.908 10.736 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.829 -12.599 9.655 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.492 -13.425 11.051 1.00 0.00 H new ATOM 0 HE1 MET A 1 -24.010 -10.597 13.122 1.00 0.00 H new ATOM 0 HE2 MET A 1 -25.067 -10.589 11.691 1.00 0.00 H new ATOM 0 HE3 MET A 1 -25.305 -11.807 12.966 1.00 0.00 H new ATOM 18 N LYS A 2 -20.997 -13.701 8.407 1.00 0.00 N ATOM 19 CA LYS A 2 -19.546 -13.830 8.484 1.00 0.00 C ATOM 20 C LYS A 2 -18.971 -12.906 9.554 1.00 0.00 C ATOM 21 O LYS A 2 -19.555 -11.870 9.872 1.00 0.00 O ATOM 22 CB LYS A 2 -18.913 -13.516 7.127 1.00 0.00 C ATOM 23 CG LYS A 2 -19.284 -12.142 6.588 1.00 0.00 C ATOM 24 CD LYS A 2 -19.894 -12.231 5.199 1.00 0.00 C ATOM 25 CE LYS A 2 -21.412 -12.194 5.254 1.00 0.00 C ATOM 26 NZ LYS A 2 -22.027 -12.765 4.024 1.00 0.00 N ATOM 0 H LYS A 2 -21.322 -12.802 8.053 1.00 0.00 H new ATOM 0 HA LYS A 2 -19.312 -14.859 8.757 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -17.829 -13.582 7.217 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -19.220 -14.275 6.407 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -19.991 -11.663 7.266 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -18.396 -11.511 6.556 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -19.531 -11.405 4.587 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -19.569 -13.152 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -21.757 -12.751 6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -21.746 -11.164 5.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -23.063 -12.721 4.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -21.718 -12.218 3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -21.730 -13.756 3.915 1.00 0.00 H new ATOM 40 N PRO A 3 -17.809 -13.269 10.124 1.00 0.00 N ATOM 41 CA PRO A 3 -17.151 -12.467 11.162 1.00 0.00 C ATOM 42 C PRO A 3 -16.650 -11.129 10.628 1.00 0.00 C ATOM 43 O PRO A 3 -17.032 -10.702 9.538 1.00 0.00 O ATOM 44 CB PRO A 3 -15.974 -13.343 11.603 1.00 0.00 C ATOM 45 CG PRO A 3 -15.709 -14.237 10.442 1.00 0.00 C ATOM 46 CD PRO A 3 -17.044 -14.488 9.801 1.00 0.00 C ATOM 0 HA PRO A 3 -17.834 -12.213 11.973 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -15.100 -12.738 11.844 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -16.221 -13.917 12.496 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -15.020 -13.769 9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -15.249 -15.171 10.765 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -16.953 -14.632 8.724 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -17.522 -15.381 10.203 1.00 0.00 H new ATOM 54 N ARG A 4 -15.793 -10.469 11.403 1.00 0.00 N ATOM 55 CA ARG A 4 -15.238 -9.178 11.010 1.00 0.00 C ATOM 56 C ARG A 4 -14.609 -9.250 9.619 1.00 0.00 C ATOM 57 O ARG A 4 -14.233 -10.326 9.154 1.00 0.00 O ATOM 58 CB ARG A 4 -14.196 -8.716 12.031 1.00 0.00 C ATOM 59 CG ARG A 4 -12.961 -9.602 12.085 1.00 0.00 C ATOM 60 CD ARG A 4 -12.957 -10.484 13.323 1.00 0.00 C ATOM 61 NE ARG A 4 -12.017 -11.596 13.200 1.00 0.00 N ATOM 62 CZ ARG A 4 -11.562 -12.300 14.234 1.00 0.00 C ATOM 63 NH1 ARG A 4 -11.956 -12.011 15.468 1.00 0.00 N ATOM 64 NH2 ARG A 4 -10.708 -13.294 14.035 1.00 0.00 N ATOM 0 H ARG A 4 -15.468 -10.808 12.308 1.00 0.00 H new ATOM 0 HA ARG A 4 -16.054 -8.456 10.980 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -13.892 -7.697 11.791 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -14.656 -8.687 13.019 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.922 -10.227 11.193 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.066 -8.980 12.078 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -12.696 -9.884 14.195 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.960 -10.875 13.493 1.00 0.00 H new ATOM 0 HE ARG A 4 -11.690 -11.848 12.267 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.611 -11.246 15.628 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -11.604 -12.554 16.256 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -10.399 -13.520 13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -10.359 -13.833 14.828 1.00 0.00 H new ATOM 78 N PRO A 5 -14.486 -8.099 8.936 1.00 0.00 N ATOM 79 CA PRO A 5 -13.899 -8.036 7.593 1.00 0.00 C ATOM 80 C PRO A 5 -12.538 -8.722 7.522 1.00 0.00 C ATOM 81 O PRO A 5 -11.846 -8.854 8.530 1.00 0.00 O ATOM 82 CB PRO A 5 -13.756 -6.534 7.337 1.00 0.00 C ATOM 83 CG PRO A 5 -14.798 -5.904 8.194 1.00 0.00 C ATOM 84 CD PRO A 5 -14.909 -6.770 9.417 1.00 0.00 C ATOM 0 HA PRO A 5 -14.515 -8.550 6.855 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -12.759 -6.180 7.601 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -13.911 -6.295 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -14.519 -4.885 8.462 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -15.752 -5.846 7.669 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -14.268 -6.412 10.222 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -15.928 -6.789 9.805 1.00 0.00 H new ATOM 92 N GLY A 6 -12.162 -9.154 6.323 1.00 0.00 N ATOM 93 CA GLY A 6 -10.886 -9.821 6.141 1.00 0.00 C ATOM 94 C GLY A 6 -10.218 -9.447 4.833 1.00 0.00 C ATOM 95 O GLY A 6 -10.692 -9.816 3.759 1.00 0.00 O ATOM 0 H GLY A 6 -12.718 -9.054 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -10.225 -9.566 6.969 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -11.036 -10.900 6.173 1.00 0.00 H new ATOM 99 N VAL A 7 -9.113 -8.713 4.923 1.00 0.00 N ATOM 100 CA VAL A 7 -8.380 -8.289 3.737 1.00 0.00 C ATOM 101 C VAL A 7 -7.876 -9.490 2.944 1.00 0.00 C ATOM 102 O VAL A 7 -7.763 -10.595 3.477 1.00 0.00 O ATOM 103 CB VAL A 7 -7.182 -7.394 4.106 1.00 0.00 C ATOM 104 CG1 VAL A 7 -7.661 -6.089 4.726 1.00 0.00 C ATOM 105 CG2 VAL A 7 -6.239 -8.125 5.050 1.00 0.00 C ATOM 0 H VAL A 7 -8.707 -8.400 5.805 1.00 0.00 H new ATOM 0 HA VAL A 7 -9.076 -7.717 3.124 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.635 -7.158 3.193 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -6.801 -5.470 4.980 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -8.293 -5.558 4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.233 -6.303 5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.399 -7.477 5.299 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.773 -8.394 5.961 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -5.869 -9.029 4.566 1.00 0.00 H new ATOM 115 N PHE A 8 -7.574 -9.267 1.669 1.00 0.00 N ATOM 116 CA PHE A 8 -7.081 -10.332 0.803 1.00 0.00 C ATOM 117 C PHE A 8 -5.556 -10.357 0.786 1.00 0.00 C ATOM 118 O PHE A 8 -4.927 -9.811 -0.121 1.00 0.00 O ATOM 119 CB PHE A 8 -7.616 -10.149 -0.619 1.00 0.00 C ATOM 120 CG PHE A 8 -7.690 -11.428 -1.402 1.00 0.00 C ATOM 121 CD1 PHE A 8 -6.554 -11.966 -1.984 1.00 0.00 C ATOM 122 CD2 PHE A 8 -8.896 -12.093 -1.556 1.00 0.00 C ATOM 123 CE1 PHE A 8 -6.620 -13.142 -2.706 1.00 0.00 C ATOM 124 CE2 PHE A 8 -8.968 -13.270 -2.275 1.00 0.00 C ATOM 125 CZ PHE A 8 -7.827 -13.795 -2.852 1.00 0.00 C ATOM 0 H PHE A 8 -7.662 -8.359 1.213 1.00 0.00 H new ATOM 0 HA PHE A 8 -7.437 -11.283 1.199 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -8.610 -9.705 -0.570 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -6.977 -9.444 -1.151 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -5.606 -11.461 -1.872 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -9.791 -11.686 -1.108 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -5.727 -13.550 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -9.914 -13.779 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.880 -14.714 -3.416 1.00 0.00 H new ATOM 135 N VAL A 9 -4.969 -10.995 1.795 1.00 0.00 N ATOM 136 CA VAL A 9 -3.517 -11.094 1.899 1.00 0.00 C ATOM 137 C VAL A 9 -2.891 -9.735 2.198 1.00 0.00 C ATOM 138 O VAL A 9 -2.356 -9.512 3.284 1.00 0.00 O ATOM 139 CB VAL A 9 -2.892 -11.663 0.611 1.00 0.00 C ATOM 140 CG1 VAL A 9 -1.415 -11.959 0.817 1.00 0.00 C ATOM 141 CG2 VAL A 9 -3.636 -12.914 0.165 1.00 0.00 C ATOM 0 H VAL A 9 -5.477 -11.451 2.552 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.309 -11.777 2.723 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.981 -10.913 -0.175 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -0.992 -12.360 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.894 -11.040 1.086 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.299 -12.689 1.618 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -3.181 -13.302 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -3.580 -13.669 0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.680 -12.667 -0.028 1.00 0.00 H new ATOM 151 N ASP A 10 -2.964 -8.828 1.228 1.00 0.00 N ATOM 152 CA ASP A 10 -2.405 -7.491 1.389 1.00 0.00 C ATOM 153 C ASP A 10 -3.207 -6.465 0.593 1.00 0.00 C ATOM 154 O ASP A 10 -2.671 -5.445 0.159 1.00 0.00 O ATOM 155 CB ASP A 10 -0.941 -7.470 0.944 1.00 0.00 C ATOM 156 CG ASP A 10 -0.069 -6.643 1.868 1.00 0.00 C ATOM 157 OD1 ASP A 10 0.322 -7.160 2.936 1.00 0.00 O ATOM 158 OD2 ASP A 10 0.225 -5.479 1.524 1.00 0.00 O ATOM 0 H ASP A 10 -3.405 -8.995 0.323 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.460 -7.227 2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.561 -8.491 0.907 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -0.877 -7.069 -0.067 1.00 0.00 H new ATOM 163 N ARG A 11 -4.494 -6.741 0.408 1.00 0.00 N ATOM 164 CA ARG A 11 -5.371 -5.843 -0.335 1.00 0.00 C ATOM 165 C ARG A 11 -5.444 -4.476 0.337 1.00 0.00 C ATOM 166 O ARG A 11 -5.624 -3.456 -0.328 1.00 0.00 O ATOM 167 CB ARG A 11 -6.773 -6.444 -0.449 1.00 0.00 C ATOM 168 CG ARG A 11 -7.647 -5.755 -1.484 1.00 0.00 C ATOM 169 CD ARG A 11 -9.124 -5.996 -1.217 1.00 0.00 C ATOM 170 NE ARG A 11 -9.776 -4.823 -0.640 1.00 0.00 N ATOM 171 CZ ARG A 11 -11.096 -4.662 -0.578 1.00 0.00 C ATOM 172 NH1 ARG A 11 -11.907 -5.598 -1.057 1.00 0.00 N ATOM 173 NH2 ARG A 11 -11.606 -3.564 -0.037 1.00 0.00 N ATOM 0 H ARG A 11 -4.953 -7.580 0.763 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.956 -5.715 -1.335 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -6.687 -7.500 -0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.263 -6.389 0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.445 -4.684 -1.477 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.392 -6.121 -2.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.621 -6.265 -2.149 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.236 -6.843 -0.540 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.184 -4.083 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.519 -6.444 -1.474 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -12.918 -5.471 -1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.987 -2.842 0.332 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.617 -3.441 0.010 1.00 0.00 H new ATOM 187 N LYS A 12 -5.307 -4.463 1.659 1.00 0.00 N ATOM 188 CA LYS A 12 -5.361 -3.223 2.425 1.00 0.00 C ATOM 189 C LYS A 12 -4.349 -2.210 1.902 1.00 0.00 C ATOM 190 O LYS A 12 -4.623 -1.012 1.856 1.00 0.00 O ATOM 191 CB LYS A 12 -5.092 -3.503 3.904 1.00 0.00 C ATOM 192 CG LYS A 12 -3.676 -3.974 4.190 1.00 0.00 C ATOM 193 CD LYS A 12 -3.630 -4.909 5.388 1.00 0.00 C ATOM 194 CE LYS A 12 -2.299 -5.640 5.478 1.00 0.00 C ATOM 195 NZ LYS A 12 -2.474 -7.118 5.470 1.00 0.00 N ATOM 0 H LYS A 12 -5.157 -5.299 2.223 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.360 -2.803 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -5.286 -2.597 4.477 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.795 -4.259 4.255 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -3.277 -4.485 3.313 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -3.035 -3.112 4.375 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -3.795 -4.338 6.302 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -4.440 -5.635 5.315 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -1.666 -5.345 4.641 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -1.782 -5.341 6.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -1.543 -7.578 5.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.057 -7.403 6.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.944 -7.407 4.589 1.00 0.00 H new ATOM 209 N LEU A 13 -3.181 -2.699 1.509 1.00 0.00 N ATOM 210 CA LEU A 13 -2.126 -1.834 0.992 1.00 0.00 C ATOM 211 C LEU A 13 -2.627 -1.022 -0.200 1.00 0.00 C ATOM 212 O LEU A 13 -2.356 0.174 -0.308 1.00 0.00 O ATOM 213 CB LEU A 13 -0.910 -2.666 0.582 1.00 0.00 C ATOM 214 CG LEU A 13 0.446 -1.992 0.809 1.00 0.00 C ATOM 215 CD1 LEU A 13 0.469 -0.608 0.177 1.00 0.00 C ATOM 216 CD2 LEU A 13 0.756 -1.909 2.297 1.00 0.00 C ATOM 0 H LEU A 13 -2.939 -3.689 1.538 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.834 -1.144 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.929 -3.605 1.135 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.001 -2.917 -0.475 1.00 0.00 H new ATOM 0 HG LEU A 13 1.216 -2.597 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.441 -0.145 0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 13 0.293 -0.695 -0.895 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -0.311 0.009 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.723 -1.427 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.017 -1.327 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 13 0.785 -2.913 2.719 1.00 0.00 H new ATOM 228 N LYS A 14 -3.364 -1.680 -1.089 1.00 0.00 N ATOM 229 CA LYS A 14 -3.906 -1.019 -2.269 1.00 0.00 C ATOM 230 C LYS A 14 -5.079 -0.118 -1.898 1.00 0.00 C ATOM 231 O LYS A 14 -5.154 1.030 -2.336 1.00 0.00 O ATOM 232 CB LYS A 14 -4.353 -2.055 -3.303 1.00 0.00 C ATOM 233 CG LYS A 14 -4.473 -1.496 -4.711 1.00 0.00 C ATOM 234 CD LYS A 14 -5.371 -2.361 -5.581 1.00 0.00 C ATOM 235 CE LYS A 14 -6.785 -2.438 -5.025 1.00 0.00 C ATOM 236 NZ LYS A 14 -7.101 -3.794 -4.498 1.00 0.00 N ATOM 0 H LYS A 14 -3.599 -2.670 -1.014 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.118 -0.402 -2.701 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.642 -2.881 -3.308 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.316 -2.466 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.873 -0.483 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.483 -1.429 -5.162 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -5.399 -1.955 -6.592 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.952 -3.365 -5.652 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.903 -1.703 -4.229 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.498 -2.177 -5.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.956 -3.747 -3.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -7.264 -4.446 -5.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.304 -4.138 -3.925 1.00 0.00 H new ATOM 250 N GLN A 15 -5.994 -0.650 -1.092 1.00 0.00 N ATOM 251 CA GLN A 15 -7.172 0.098 -0.662 1.00 0.00 C ATOM 252 C GLN A 15 -6.783 1.319 0.169 1.00 0.00 C ATOM 253 O GLN A 15 -7.247 2.429 -0.090 1.00 0.00 O ATOM 254 CB GLN A 15 -8.103 -0.805 0.149 1.00 0.00 C ATOM 255 CG GLN A 15 -9.445 -0.166 0.469 1.00 0.00 C ATOM 256 CD GLN A 15 -10.451 -0.332 -0.652 1.00 0.00 C ATOM 257 OE1 GLN A 15 -10.337 -1.240 -1.475 1.00 0.00 O ATOM 258 NE2 GLN A 15 -11.447 0.546 -0.690 1.00 0.00 N ATOM 0 H GLN A 15 -5.942 -1.599 -0.722 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.691 0.445 -1.555 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.273 -1.728 -0.405 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.609 -1.078 1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.846 -0.609 1.381 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.300 0.896 0.668 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.504 1.284 0.012 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.155 0.483 -1.421 1.00 0.00 H new ATOM 267 N ARG A 16 -5.937 1.107 1.170 1.00 0.00 N ATOM 268 CA ARG A 16 -5.498 2.198 2.034 1.00 0.00 C ATOM 269 C ARG A 16 -4.716 3.238 1.238 1.00 0.00 C ATOM 270 O ARG A 16 -4.887 4.441 1.434 1.00 0.00 O ATOM 271 CB ARG A 16 -4.641 1.660 3.183 1.00 0.00 C ATOM 272 CG ARG A 16 -4.946 2.310 4.523 1.00 0.00 C ATOM 273 CD ARG A 16 -5.843 1.428 5.378 1.00 0.00 C ATOM 274 NE ARG A 16 -6.228 2.083 6.626 1.00 0.00 N ATOM 275 CZ ARG A 16 -6.733 1.438 7.675 1.00 0.00 C ATOM 276 NH1 ARG A 16 -6.917 0.125 7.631 1.00 0.00 N ATOM 277 NH2 ARG A 16 -7.055 2.110 8.773 1.00 0.00 N ATOM 0 H ARG A 16 -5.543 0.196 1.403 1.00 0.00 H new ATOM 0 HA ARG A 16 -6.384 2.677 2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -4.794 0.584 3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.589 1.815 2.944 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.014 2.507 5.054 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.429 3.273 4.360 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -6.739 1.168 4.814 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.326 0.495 5.603 1.00 0.00 H new ATOM 0 HE ARG A 16 -6.103 3.093 6.697 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.671 -0.397 6.790 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.304 -0.363 8.439 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.915 3.120 8.812 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.442 1.617 9.578 1.00 0.00 H new ATOM 291 N VAL A 17 -3.859 2.768 0.336 1.00 0.00 N ATOM 292 CA VAL A 17 -3.057 3.664 -0.487 1.00 0.00 C ATOM 293 C VAL A 17 -3.942 4.496 -1.413 1.00 0.00 C ATOM 294 O VAL A 17 -3.836 5.721 -1.445 1.00 0.00 O ATOM 295 CB VAL A 17 -2.018 2.878 -1.323 1.00 0.00 C ATOM 296 CG1 VAL A 17 -1.569 3.673 -2.544 1.00 0.00 C ATOM 297 CG2 VAL A 17 -0.820 2.508 -0.464 1.00 0.00 C ATOM 0 H VAL A 17 -3.703 1.776 0.158 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.525 4.335 0.188 1.00 0.00 H new ATOM 0 HB VAL A 17 -2.496 1.965 -1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -0.840 3.092 -3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.431 3.886 -3.176 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.115 4.610 -2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -0.098 1.956 -1.065 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -0.354 3.415 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.148 1.887 0.370 1.00 0.00 H new ATOM 307 N ILE A 18 -4.813 3.829 -2.165 1.00 0.00 N ATOM 308 CA ILE A 18 -5.705 4.523 -3.088 1.00 0.00 C ATOM 309 C ILE A 18 -6.533 5.581 -2.366 1.00 0.00 C ATOM 310 O ILE A 18 -6.826 6.641 -2.921 1.00 0.00 O ATOM 311 CB ILE A 18 -6.649 3.545 -3.818 1.00 0.00 C ATOM 312 CG1 ILE A 18 -7.571 2.836 -2.825 1.00 0.00 C ATOM 313 CG2 ILE A 18 -5.842 2.530 -4.615 1.00 0.00 C ATOM 314 CD1 ILE A 18 -8.680 2.048 -3.487 1.00 0.00 C ATOM 0 H ILE A 18 -4.920 2.815 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 18 -5.069 5.009 -3.828 1.00 0.00 H new ATOM 0 HB ILE A 18 -7.270 4.117 -4.508 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -6.977 2.163 -2.207 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.011 3.577 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -6.520 1.846 -5.125 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.229 3.050 -5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -5.198 1.966 -3.940 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -9.294 1.572 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -9.298 2.720 -4.083 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -8.248 1.284 -4.133 1.00 0.00 H new ATOM 326 N GLN A 19 -6.904 5.289 -1.124 1.00 0.00 N ATOM 327 CA GLN A 19 -7.694 6.217 -0.324 1.00 0.00 C ATOM 328 C GLN A 19 -6.849 7.408 0.115 1.00 0.00 C ATOM 329 O GLN A 19 -7.353 8.522 0.255 1.00 0.00 O ATOM 330 CB GLN A 19 -8.272 5.505 0.900 1.00 0.00 C ATOM 331 CG GLN A 19 -9.491 4.652 0.588 1.00 0.00 C ATOM 332 CD GLN A 19 -10.343 4.383 1.813 1.00 0.00 C ATOM 333 OE1 GLN A 19 -9.834 4.004 2.867 1.00 0.00 O ATOM 334 NE2 GLN A 19 -11.650 4.579 1.678 1.00 0.00 N ATOM 0 H GLN A 19 -6.670 4.417 -0.650 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.515 6.584 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -7.500 4.874 1.341 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -8.542 6.249 1.649 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -10.096 5.152 -0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -9.166 3.703 0.160 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.029 4.894 0.785 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.275 4.415 2.467 1.00 0.00 H new ATOM 343 N TYR A 20 -5.560 7.163 0.334 1.00 0.00 N ATOM 344 CA TYR A 20 -4.643 8.213 0.762 1.00 0.00 C ATOM 345 C TYR A 20 -4.304 9.154 -0.391 1.00 0.00 C ATOM 346 O TYR A 20 -4.225 10.368 -0.207 1.00 0.00 O ATOM 347 CB TYR A 20 -3.360 7.598 1.324 1.00 0.00 C ATOM 348 CG TYR A 20 -3.415 7.332 2.811 1.00 0.00 C ATOM 349 CD1 TYR A 20 -3.931 8.278 3.688 1.00 0.00 C ATOM 350 CD2 TYR A 20 -2.951 6.133 3.338 1.00 0.00 C ATOM 351 CE1 TYR A 20 -3.981 8.038 5.048 1.00 0.00 C ATOM 352 CE2 TYR A 20 -3.000 5.885 4.697 1.00 0.00 C ATOM 353 CZ TYR A 20 -3.515 6.840 5.546 1.00 0.00 C ATOM 354 OH TYR A 20 -3.564 6.597 6.901 1.00 0.00 O ATOM 0 H TYR A 20 -5.128 6.246 0.222 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.137 8.792 1.542 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.158 6.662 0.804 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.525 8.266 1.114 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.299 9.216 3.300 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.546 5.383 2.675 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.383 8.785 5.717 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -2.636 4.948 5.091 1.00 0.00 H new ATOM 0 HH TYR A 20 -4.015 5.742 7.064 1.00 0.00 H new ATOM 364 N LEU A 21 -4.103 8.589 -1.577 1.00 0.00 N ATOM 365 CA LEU A 21 -3.770 9.385 -2.755 1.00 0.00 C ATOM 366 C LEU A 21 -4.989 10.157 -3.251 1.00 0.00 C ATOM 367 O LEU A 21 -4.883 11.318 -3.647 1.00 0.00 O ATOM 368 CB LEU A 21 -3.228 8.495 -3.879 1.00 0.00 C ATOM 369 CG LEU A 21 -2.333 7.334 -3.430 1.00 0.00 C ATOM 370 CD1 LEU A 21 -2.669 6.070 -4.208 1.00 0.00 C ATOM 371 CD2 LEU A 21 -0.865 7.687 -3.606 1.00 0.00 C ATOM 0 H LEU A 21 -4.164 7.585 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.997 10.097 -2.466 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.072 8.086 -4.434 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.663 9.119 -4.572 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.518 7.151 -2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.024 5.256 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.711 5.801 -4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.513 6.246 -5.272 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.248 6.849 -3.281 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.665 7.899 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.628 8.566 -3.007 1.00 0.00 H new ATOM 383 N SER A 22 -6.147 9.503 -3.229 1.00 0.00 N ATOM 384 CA SER A 22 -7.385 10.126 -3.679 1.00 0.00 C ATOM 385 C SER A 22 -7.782 11.277 -2.760 1.00 0.00 C ATOM 386 O SER A 22 -8.083 12.378 -3.222 1.00 0.00 O ATOM 387 CB SER A 22 -8.510 9.092 -3.733 1.00 0.00 C ATOM 388 OG SER A 22 -9.655 9.615 -4.385 1.00 0.00 O ATOM 0 H SER A 22 -6.252 8.542 -2.904 1.00 0.00 H new ATOM 0 HA SER A 22 -7.218 10.525 -4.679 1.00 0.00 H new ATOM 0 HB2 SER A 22 -8.164 8.201 -4.258 1.00 0.00 H new ATOM 0 HB3 SER A 22 -8.773 8.784 -2.721 1.00 0.00 H new ATOM 0 HG SER A 22 -10.359 8.933 -4.407 1.00 0.00 H new ATOM 394 N SER A 23 -7.781 11.015 -1.458 1.00 0.00 N ATOM 395 CA SER A 23 -8.141 12.029 -0.473 1.00 0.00 C ATOM 396 C SER A 23 -7.104 13.147 -0.435 1.00 0.00 C ATOM 397 O SER A 23 -7.451 14.326 -0.372 1.00 0.00 O ATOM 398 CB SER A 23 -8.279 11.398 0.913 1.00 0.00 C ATOM 399 OG SER A 23 -9.563 10.825 1.089 1.00 0.00 O ATOM 0 H SER A 23 -7.535 10.109 -1.060 1.00 0.00 H new ATOM 0 HA SER A 23 -9.099 12.458 -0.766 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.515 10.632 1.045 1.00 0.00 H new ATOM 0 HB3 SER A 23 -8.107 12.154 1.679 1.00 0.00 H new ATOM 0 HG SER A 23 -9.624 10.427 1.983 1.00 0.00 H new ATOM 405 N ASN A 24 -5.831 12.768 -0.472 1.00 0.00 N ATOM 406 CA ASN A 24 -4.743 13.740 -0.440 1.00 0.00 C ATOM 407 C ASN A 24 -3.612 13.322 -1.373 1.00 0.00 C ATOM 408 O ASN A 24 -3.512 12.158 -1.760 1.00 0.00 O ATOM 409 CB ASN A 24 -4.211 13.897 0.986 1.00 0.00 C ATOM 410 CG ASN A 24 -5.321 13.998 2.014 1.00 0.00 C ATOM 411 OD1 ASN A 24 -5.613 15.079 2.524 1.00 0.00 O ATOM 412 ND2 ASN A 24 -5.945 12.867 2.324 1.00 0.00 N ATOM 0 H ASN A 24 -5.527 11.796 -0.524 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.136 14.698 -0.781 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -3.573 13.047 1.228 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.587 14.789 1.041 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -6.700 12.872 3.010 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.669 11.993 1.876 1.00 0.00 H new ATOM 419 N ARG A 25 -2.761 14.278 -1.730 1.00 0.00 N ATOM 420 CA ARG A 25 -1.636 14.006 -2.616 1.00 0.00 C ATOM 421 C ARG A 25 -0.571 13.178 -1.904 1.00 0.00 C ATOM 422 O ARG A 25 0.126 12.379 -2.530 1.00 0.00 O ATOM 423 CB ARG A 25 -1.028 15.316 -3.121 1.00 0.00 C ATOM 424 CG ARG A 25 -0.251 15.166 -4.419 1.00 0.00 C ATOM 425 CD ARG A 25 -1.178 15.110 -5.621 1.00 0.00 C ATOM 426 NE ARG A 25 -1.680 13.759 -5.863 1.00 0.00 N ATOM 427 CZ ARG A 25 -2.741 13.487 -6.619 1.00 0.00 C ATOM 428 NH1 ARG A 25 -3.415 14.468 -7.206 1.00 0.00 N ATOM 429 NH2 ARG A 25 -3.129 12.231 -6.788 1.00 0.00 N ATOM 0 H ARG A 25 -2.829 15.247 -1.419 1.00 0.00 H new ATOM 0 HA ARG A 25 -2.006 13.434 -3.467 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -1.826 16.044 -3.267 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.365 15.718 -2.355 1.00 0.00 H new ATOM 0 HG2 ARG A 25 0.439 16.002 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.351 14.258 -4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.018 15.786 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -0.647 15.463 -6.505 1.00 0.00 H new ATOM 0 HE ARG A 25 -1.188 12.979 -5.427 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.121 15.436 -7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.227 14.254 -7.784 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.615 11.473 -6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -3.942 12.022 -7.367 1.00 0.00 H new ATOM 443 N CYS A 26 -0.452 13.380 -0.591 1.00 0.00 N ATOM 444 CA CYS A 26 0.527 12.660 0.226 1.00 0.00 C ATOM 445 C CYS A 26 1.868 12.523 -0.493 1.00 0.00 C ATOM 446 O CYS A 26 2.461 11.444 -0.523 1.00 0.00 O ATOM 447 CB CYS A 26 -0.013 11.277 0.611 1.00 0.00 C ATOM 448 SG CYS A 26 -0.152 10.116 -0.769 1.00 0.00 S ATOM 0 H CYS A 26 -1.026 14.041 -0.067 1.00 0.00 H new ATOM 0 HA CYS A 26 0.694 13.242 1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 26 0.640 10.844 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.995 11.399 1.068 1.00 0.00 H new ATOM 0 HG CYS A 26 -0.030 10.760 -1.892 1.00 0.00 H new ATOM 454 N GLY A 27 2.338 13.623 -1.070 1.00 0.00 N ATOM 455 CA GLY A 27 3.603 13.607 -1.781 1.00 0.00 C ATOM 456 C GLY A 27 3.423 13.651 -3.285 1.00 0.00 C ATOM 457 O GLY A 27 3.074 12.647 -3.905 1.00 0.00 O ATOM 0 H GLY A 27 1.865 14.527 -1.058 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.205 14.459 -1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.157 12.708 -1.511 1.00 0.00 H new ATOM 461 N LYS A 28 3.659 14.819 -3.873 1.00 0.00 N ATOM 462 CA LYS A 28 3.518 14.992 -5.314 1.00 0.00 C ATOM 463 C LYS A 28 4.445 14.045 -6.070 1.00 0.00 C ATOM 464 O LYS A 28 4.136 13.613 -7.181 1.00 0.00 O ATOM 465 CB LYS A 28 3.816 16.443 -5.705 1.00 0.00 C ATOM 466 CG LYS A 28 2.672 17.120 -6.440 1.00 0.00 C ATOM 467 CD LYS A 28 3.139 18.370 -7.167 1.00 0.00 C ATOM 468 CE LYS A 28 1.972 19.126 -7.780 1.00 0.00 C ATOM 469 NZ LYS A 28 2.163 20.602 -7.701 1.00 0.00 N ATOM 0 H LYS A 28 3.949 15.660 -3.374 1.00 0.00 H new ATOM 0 HA LYS A 28 2.490 14.754 -5.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.047 17.013 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.706 16.466 -6.334 1.00 0.00 H new ATOM 0 HG2 LYS A 28 2.235 16.423 -7.156 1.00 0.00 H new ATOM 0 HG3 LYS A 28 1.887 17.382 -5.731 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.670 19.020 -6.471 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.847 18.095 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.855 18.830 -8.823 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.051 18.851 -7.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.346 21.081 -8.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.249 20.888 -6.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.028 20.868 -8.213 1.00 0.00 H new ATOM 483 N TYR A 29 5.583 13.726 -5.462 1.00 0.00 N ATOM 484 CA TYR A 29 6.554 12.829 -6.078 1.00 0.00 C ATOM 485 C TYR A 29 6.834 11.628 -5.179 1.00 0.00 C ATOM 486 O TYR A 29 7.938 11.083 -5.183 1.00 0.00 O ATOM 487 CB TYR A 29 7.856 13.578 -6.372 1.00 0.00 C ATOM 488 CG TYR A 29 8.353 13.396 -7.788 1.00 0.00 C ATOM 489 CD1 TYR A 29 7.668 13.948 -8.863 1.00 0.00 C ATOM 490 CD2 TYR A 29 9.508 12.670 -8.051 1.00 0.00 C ATOM 491 CE1 TYR A 29 8.119 13.783 -10.158 1.00 0.00 C ATOM 492 CE2 TYR A 29 9.967 12.501 -9.343 1.00 0.00 C ATOM 493 CZ TYR A 29 9.268 13.059 -10.394 1.00 0.00 C ATOM 494 OH TYR A 29 9.721 12.892 -11.682 1.00 0.00 O ATOM 0 H TYR A 29 5.855 14.075 -4.543 1.00 0.00 H new ATOM 0 HA TYR A 29 6.133 12.466 -7.015 1.00 0.00 H new ATOM 0 HB2 TYR A 29 7.705 14.641 -6.183 1.00 0.00 H new ATOM 0 HB3 TYR A 29 8.626 13.237 -5.679 1.00 0.00 H new ATOM 0 HD1 TYR A 29 6.767 14.516 -8.683 1.00 0.00 H new ATOM 0 HD2 TYR A 29 10.057 12.230 -7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 29 7.574 14.219 -10.982 1.00 0.00 H new ATOM 0 HE2 TYR A 29 10.868 11.935 -9.530 1.00 0.00 H new ATOM 0 HH TYR A 29 10.543 12.358 -11.673 1.00 0.00 H new ATOM 504 N VAL A 30 5.829 11.222 -4.411 1.00 0.00 N ATOM 505 CA VAL A 30 5.970 10.085 -3.509 1.00 0.00 C ATOM 506 C VAL A 30 6.214 8.794 -4.287 1.00 0.00 C ATOM 507 O VAL A 30 5.308 8.262 -4.927 1.00 0.00 O ATOM 508 CB VAL A 30 4.722 9.916 -2.619 1.00 0.00 C ATOM 509 CG1 VAL A 30 3.486 9.653 -3.467 1.00 0.00 C ATOM 510 CG2 VAL A 30 4.932 8.800 -1.605 1.00 0.00 C ATOM 0 H VAL A 30 4.909 11.663 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 30 6.832 10.287 -2.873 1.00 0.00 H new ATOM 0 HB VAL A 30 4.564 10.846 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.618 9.537 -2.818 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.324 10.492 -4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.630 8.741 -4.047 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.040 8.697 -0.987 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.120 7.863 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.786 9.040 -0.972 1.00 0.00 H new ATOM 520 N ASP A 31 7.446 8.300 -4.228 1.00 0.00 N ATOM 521 CA ASP A 31 7.810 7.073 -4.927 1.00 0.00 C ATOM 522 C ASP A 31 7.424 5.844 -4.110 1.00 0.00 C ATOM 523 O ASP A 31 6.780 5.957 -3.068 1.00 0.00 O ATOM 524 CB ASP A 31 9.312 7.057 -5.219 1.00 0.00 C ATOM 525 CG ASP A 31 9.622 6.586 -6.626 1.00 0.00 C ATOM 526 OD1 ASP A 31 9.545 7.413 -7.560 1.00 0.00 O ATOM 527 OD2 ASP A 31 9.939 5.389 -6.796 1.00 0.00 O ATOM 0 H ASP A 31 8.208 8.730 -3.704 1.00 0.00 H new ATOM 0 HA ASP A 31 7.263 7.044 -5.869 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.718 8.059 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 31 9.812 6.405 -4.502 1.00 0.00 H new ATOM 532 N THR A 32 7.822 4.671 -4.592 1.00 0.00 N ATOM 533 CA THR A 32 7.519 3.421 -3.906 1.00 0.00 C ATOM 534 C THR A 32 8.109 3.415 -2.499 1.00 0.00 C ATOM 535 O THR A 32 7.400 3.183 -1.519 1.00 0.00 O ATOM 536 CB THR A 32 8.060 2.233 -4.703 1.00 0.00 C ATOM 537 OG1 THR A 32 9.449 2.379 -4.941 1.00 0.00 O ATOM 538 CG2 THR A 32 7.382 2.053 -6.045 1.00 0.00 C ATOM 0 H THR A 32 8.355 4.560 -5.455 1.00 0.00 H new ATOM 0 HA THR A 32 6.435 3.333 -3.827 1.00 0.00 H new ATOM 0 HB THR A 32 7.854 1.356 -4.089 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.759 1.654 -5.523 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.813 1.193 -6.558 1.00 0.00 H new ATOM 0 HG22 THR A 32 6.315 1.888 -5.894 1.00 0.00 H new ATOM 0 HG23 THR A 32 7.529 2.948 -6.650 1.00 0.00 H new ATOM 546 N GLY A 33 9.409 3.673 -2.405 1.00 0.00 N ATOM 547 CA GLY A 33 10.070 3.694 -1.114 1.00 0.00 C ATOM 548 C GLY A 33 9.553 4.800 -0.216 1.00 0.00 C ATOM 549 O GLY A 33 9.447 4.624 0.998 1.00 0.00 O ATOM 0 H GLY A 33 10.017 3.868 -3.201 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.927 2.733 -0.620 1.00 0.00 H new ATOM 0 HA3 GLY A 33 11.143 3.821 -1.260 1.00 0.00 H new ATOM 553 N ILE A 34 9.229 5.942 -0.814 1.00 0.00 N ATOM 554 CA ILE A 34 8.720 7.082 -0.060 1.00 0.00 C ATOM 555 C ILE A 34 7.336 6.788 0.508 1.00 0.00 C ATOM 556 O ILE A 34 7.040 7.125 1.654 1.00 0.00 O ATOM 557 CB ILE A 34 8.648 8.348 -0.937 1.00 0.00 C ATOM 558 CG1 ILE A 34 9.994 8.593 -1.624 1.00 0.00 C ATOM 559 CG2 ILE A 34 8.247 9.553 -0.100 1.00 0.00 C ATOM 560 CD1 ILE A 34 10.014 9.837 -2.488 1.00 0.00 C ATOM 0 H ILE A 34 9.310 6.102 -1.818 1.00 0.00 H new ATOM 0 HA ILE A 34 9.416 7.258 0.760 1.00 0.00 H new ATOM 0 HB ILE A 34 7.889 8.198 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 34 10.771 8.676 -0.864 1.00 0.00 H new ATOM 0 HG13 ILE A 34 10.241 7.728 -2.240 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.201 10.438 -0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.269 9.376 0.347 1.00 0.00 H new ATOM 0 HG23 ILE A 34 8.983 9.710 0.688 1.00 0.00 H new ATOM 0 HD11 ILE A 34 10.998 9.948 -2.943 1.00 0.00 H new ATOM 0 HD12 ILE A 34 9.260 9.749 -3.270 1.00 0.00 H new ATOM 0 HD13 ILE A 34 9.798 10.711 -1.873 1.00 0.00 H new ATOM 572 N LEU A 35 6.491 6.158 -0.301 1.00 0.00 N ATOM 573 CA LEU A 35 5.137 5.818 0.123 1.00 0.00 C ATOM 574 C LEU A 35 5.162 4.760 1.220 1.00 0.00 C ATOM 575 O LEU A 35 4.417 4.844 2.197 1.00 0.00 O ATOM 576 CB LEU A 35 4.317 5.318 -1.068 1.00 0.00 C ATOM 577 CG LEU A 35 2.891 4.880 -0.732 1.00 0.00 C ATOM 578 CD1 LEU A 35 1.988 6.090 -0.552 1.00 0.00 C ATOM 579 CD2 LEU A 35 2.346 3.964 -1.820 1.00 0.00 C ATOM 0 H LEU A 35 6.719 5.873 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 35 4.670 6.718 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.271 6.109 -1.816 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.841 4.478 -1.524 1.00 0.00 H new ATOM 0 HG LEU A 35 2.913 4.327 0.207 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.978 5.758 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.368 6.710 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.971 6.671 -1.474 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.330 3.661 -1.566 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.339 4.494 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.978 3.080 -1.902 1.00 0.00 H new ATOM 591 N ALA A 36 6.025 3.762 1.053 1.00 0.00 N ATOM 592 CA ALA A 36 6.149 2.687 2.030 1.00 0.00 C ATOM 593 C ALA A 36 6.535 3.232 3.401 1.00 0.00 C ATOM 594 O ALA A 36 5.920 2.890 4.410 1.00 0.00 O ATOM 595 CB ALA A 36 7.171 1.663 1.559 1.00 0.00 C ATOM 0 H ALA A 36 6.648 3.676 0.250 1.00 0.00 H new ATOM 0 HA ALA A 36 5.178 2.200 2.123 1.00 0.00 H new ATOM 0 HB1 ALA A 36 7.254 0.866 2.298 1.00 0.00 H new ATOM 0 HB2 ALA A 36 6.852 1.243 0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 36 8.140 2.146 1.436 1.00 0.00 H new ATOM 601 N SER A 37 7.556 4.082 3.429 1.00 0.00 N ATOM 602 CA SER A 37 8.024 4.674 4.676 1.00 0.00 C ATOM 603 C SER A 37 6.944 5.555 5.298 1.00 0.00 C ATOM 604 O SER A 37 6.788 5.595 6.518 1.00 0.00 O ATOM 605 CB SER A 37 9.290 5.497 4.433 1.00 0.00 C ATOM 606 OG SER A 37 10.453 4.707 4.614 1.00 0.00 O ATOM 0 H SER A 37 8.075 4.376 2.602 1.00 0.00 H new ATOM 0 HA SER A 37 8.253 3.864 5.369 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.276 5.903 3.421 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.313 6.346 5.116 1.00 0.00 H new ATOM 0 HG SER A 37 11.249 5.255 4.451 1.00 0.00 H new ATOM 612 N ASP A 38 6.199 6.258 4.450 1.00 0.00 N ATOM 613 CA ASP A 38 5.133 7.136 4.917 1.00 0.00 C ATOM 614 C ASP A 38 3.944 6.326 5.423 1.00 0.00 C ATOM 615 O ASP A 38 3.398 6.607 6.490 1.00 0.00 O ATOM 616 CB ASP A 38 4.685 8.073 3.793 1.00 0.00 C ATOM 617 CG ASP A 38 5.626 9.248 3.610 1.00 0.00 C ATOM 618 OD1 ASP A 38 6.067 9.820 4.629 1.00 0.00 O ATOM 619 OD2 ASP A 38 5.922 9.596 2.448 1.00 0.00 O ATOM 0 H ASP A 38 6.314 6.236 3.437 1.00 0.00 H new ATOM 0 HA ASP A 38 5.523 7.731 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.622 7.513 2.860 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.683 8.444 4.010 1.00 0.00 H new ATOM 624 N LEU A 39 3.550 5.319 4.649 1.00 0.00 N ATOM 625 CA LEU A 39 2.426 4.465 5.017 1.00 0.00 C ATOM 626 C LEU A 39 2.678 3.783 6.358 1.00 0.00 C ATOM 627 O LEU A 39 1.769 3.646 7.177 1.00 0.00 O ATOM 628 CB LEU A 39 2.184 3.414 3.932 1.00 0.00 C ATOM 629 CG LEU A 39 0.714 3.088 3.657 1.00 0.00 C ATOM 630 CD1 LEU A 39 -0.036 4.330 3.198 1.00 0.00 C ATOM 631 CD2 LEU A 39 0.600 1.981 2.619 1.00 0.00 C ATOM 0 H LEU A 39 3.993 5.075 3.763 1.00 0.00 H new ATOM 0 HA LEU A 39 1.539 5.091 5.111 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.643 3.759 3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.696 2.495 4.218 1.00 0.00 H new ATOM 0 HG LEU A 39 0.261 2.740 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.079 4.076 3.008 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.016 5.094 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.417 4.711 2.283 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.452 1.761 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.071 2.303 1.690 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.099 1.084 2.987 1.00 0.00 H new ATOM 643 N GLN A 40 3.919 3.358 6.576 1.00 0.00 N ATOM 644 CA GLN A 40 4.293 2.689 7.817 1.00 0.00 C ATOM 645 C GLN A 40 4.384 3.686 8.968 1.00 0.00 C ATOM 646 O GLN A 40 4.023 3.374 10.103 1.00 0.00 O ATOM 647 CB GLN A 40 5.630 1.965 7.649 1.00 0.00 C ATOM 648 CG GLN A 40 5.764 0.725 8.518 1.00 0.00 C ATOM 649 CD GLN A 40 6.970 -0.117 8.150 1.00 0.00 C ATOM 650 OE1 GLN A 40 6.893 -1.344 8.101 1.00 0.00 O ATOM 651 NE2 GLN A 40 8.094 0.541 7.889 1.00 0.00 N ATOM 0 H GLN A 40 4.683 3.465 5.909 1.00 0.00 H new ATOM 0 HA GLN A 40 3.519 1.959 8.053 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.751 1.681 6.604 1.00 0.00 H new ATOM 0 HB3 GLN A 40 6.440 2.655 7.887 1.00 0.00 H new ATOM 0 HG2 GLN A 40 5.840 1.025 9.563 1.00 0.00 H new ATOM 0 HG3 GLN A 40 4.862 0.121 8.424 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.113 1.559 7.942 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.938 0.028 7.636 1.00 0.00 H new ATOM 660 N ARG A 41 4.869 4.887 8.668 1.00 0.00 N ATOM 661 CA ARG A 41 5.009 5.930 9.679 1.00 0.00 C ATOM 662 C ARG A 41 3.652 6.310 10.264 1.00 0.00 C ATOM 663 O ARG A 41 3.490 6.390 11.482 1.00 0.00 O ATOM 664 CB ARG A 41 5.683 7.164 9.077 1.00 0.00 C ATOM 665 CG ARG A 41 7.183 7.213 9.312 1.00 0.00 C ATOM 666 CD ARG A 41 7.710 8.638 9.255 1.00 0.00 C ATOM 667 NE ARG A 41 9.147 8.681 8.990 1.00 0.00 N ATOM 668 CZ ARG A 41 10.078 8.470 9.917 1.00 0.00 C ATOM 669 NH1 ARG A 41 9.730 8.200 11.169 1.00 0.00 N ATOM 670 NH2 ARG A 41 11.363 8.527 9.591 1.00 0.00 N ATOM 0 H ARG A 41 5.172 5.162 7.734 1.00 0.00 H new ATOM 0 HA ARG A 41 5.632 5.540 10.483 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.491 7.186 8.004 1.00 0.00 H new ATOM 0 HB3 ARG A 41 5.228 8.059 9.501 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.414 6.777 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.690 6.606 8.562 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.181 9.189 8.477 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.500 9.140 10.200 1.00 0.00 H new ATOM 0 HE ARG A 41 9.454 8.885 8.039 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.744 8.153 11.425 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.449 8.039 11.875 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.637 8.733 8.630 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.077 8.365 10.301 1.00 0.00 H new ATOM 684 N LEU A 42 2.679 6.542 9.389 1.00 0.00 N ATOM 685 CA LEU A 42 1.336 6.915 9.820 1.00 0.00 C ATOM 686 C LEU A 42 0.624 5.732 10.469 1.00 0.00 C ATOM 687 O LEU A 42 -0.154 5.902 11.406 1.00 0.00 O ATOM 688 CB LEU A 42 0.517 7.440 8.638 1.00 0.00 C ATOM 689 CG LEU A 42 0.587 6.594 7.361 1.00 0.00 C ATOM 690 CD1 LEU A 42 -0.631 5.691 7.247 1.00 0.00 C ATOM 691 CD2 LEU A 42 0.708 7.489 6.136 1.00 0.00 C ATOM 0 H LEU A 42 2.795 6.478 8.378 1.00 0.00 H new ATOM 0 HA LEU A 42 1.430 7.709 10.561 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.526 7.516 8.946 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.855 8.449 8.404 1.00 0.00 H new ATOM 0 HG LEU A 42 1.474 5.963 7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.561 5.100 6.334 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.672 5.025 8.109 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.534 6.300 7.216 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.757 6.873 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.160 8.146 6.078 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.614 8.090 6.213 1.00 0.00 H new ATOM 703 N TYR A 43 0.900 4.533 9.967 1.00 0.00 N ATOM 704 CA TYR A 43 0.288 3.321 10.503 1.00 0.00 C ATOM 705 C TYR A 43 1.348 2.388 11.080 1.00 0.00 C ATOM 706 O TYR A 43 1.385 1.200 10.763 1.00 0.00 O ATOM 707 CB TYR A 43 -0.506 2.598 9.412 1.00 0.00 C ATOM 708 CG TYR A 43 -1.882 3.180 9.171 1.00 0.00 C ATOM 709 CD1 TYR A 43 -2.695 3.555 10.233 1.00 0.00 C ATOM 710 CD2 TYR A 43 -2.366 3.353 7.881 1.00 0.00 C ATOM 711 CE1 TYR A 43 -3.954 4.085 10.015 1.00 0.00 C ATOM 712 CE2 TYR A 43 -3.622 3.882 7.655 1.00 0.00 C ATOM 713 CZ TYR A 43 -4.412 4.246 8.725 1.00 0.00 C ATOM 714 OH TYR A 43 -5.663 4.774 8.504 1.00 0.00 O ATOM 0 H TYR A 43 1.542 4.374 9.191 1.00 0.00 H new ATOM 0 HA TYR A 43 -0.392 3.611 11.304 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.060 2.631 8.481 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -0.609 1.548 9.686 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -2.339 3.431 11.245 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -1.750 3.069 7.040 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -4.575 4.371 10.851 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -3.983 4.010 6.645 1.00 0.00 H new ATOM 0 HH TYR A 43 -5.664 5.724 8.743 1.00 0.00 H new ATOM 724 N SER A 44 2.211 2.936 11.930 1.00 0.00 N ATOM 725 CA SER A 44 3.273 2.153 12.552 1.00 0.00 C ATOM 726 C SER A 44 2.695 1.092 13.483 1.00 0.00 C ATOM 727 O SER A 44 3.272 0.017 13.649 1.00 0.00 O ATOM 728 CB SER A 44 4.220 3.068 13.331 1.00 0.00 C ATOM 729 OG SER A 44 5.204 2.316 14.020 1.00 0.00 O ATOM 0 H SER A 44 2.196 3.919 12.204 1.00 0.00 H new ATOM 0 HA SER A 44 3.830 1.652 11.761 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.704 3.764 12.646 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.650 3.665 14.043 1.00 0.00 H new ATOM 0 HG SER A 44 5.797 2.924 14.509 1.00 0.00 H new ATOM 735 N VAL A 45 1.552 1.400 14.087 1.00 0.00 N ATOM 736 CA VAL A 45 0.897 0.474 15.001 1.00 0.00 C ATOM 737 C VAL A 45 0.195 -0.648 14.243 1.00 0.00 C ATOM 738 O VAL A 45 0.162 -1.791 14.698 1.00 0.00 O ATOM 739 CB VAL A 45 -0.131 1.196 15.894 1.00 0.00 C ATOM 740 CG1 VAL A 45 0.562 2.200 16.801 1.00 0.00 C ATOM 741 CG2 VAL A 45 -1.192 1.878 15.043 1.00 0.00 C ATOM 0 H VAL A 45 1.061 2.285 13.959 1.00 0.00 H new ATOM 0 HA VAL A 45 1.679 0.049 15.630 1.00 0.00 H new ATOM 0 HB VAL A 45 -0.624 0.454 16.522 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -0.180 2.700 17.424 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.280 1.681 17.437 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.084 2.940 16.194 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -1.909 2.382 15.691 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -0.718 2.609 14.388 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.710 1.132 14.440 1.00 0.00 H new ATOM 751 N ASP A 46 -0.365 -0.313 13.085 1.00 0.00 N ATOM 752 CA ASP A 46 -1.068 -1.293 12.265 1.00 0.00 C ATOM 753 C ASP A 46 -0.125 -1.928 11.247 1.00 0.00 C ATOM 754 O ASP A 46 0.163 -3.124 11.315 1.00 0.00 O ATOM 755 CB ASP A 46 -2.245 -0.635 11.544 1.00 0.00 C ATOM 756 CG ASP A 46 -3.465 -0.497 12.435 1.00 0.00 C ATOM 757 OD1 ASP A 46 -3.865 -1.506 13.054 1.00 0.00 O ATOM 758 OD2 ASP A 46 -4.019 0.619 12.515 1.00 0.00 O ATOM 0 H ASP A 46 -0.346 0.629 12.694 1.00 0.00 H new ATOM 0 HA ASP A 46 -1.445 -2.076 12.923 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -1.945 0.351 11.189 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -2.505 -1.225 10.665 1.00 0.00 H new ATOM 763 N TYR A 47 0.350 -1.121 10.304 1.00 0.00 N ATOM 764 CA TYR A 47 1.259 -1.602 9.271 1.00 0.00 C ATOM 765 C TYR A 47 2.609 -1.985 9.870 1.00 0.00 C ATOM 766 O TYR A 47 3.135 -3.066 9.602 1.00 0.00 O ATOM 767 CB TYR A 47 1.452 -0.533 8.194 1.00 0.00 C ATOM 768 CG TYR A 47 0.287 -0.419 7.235 1.00 0.00 C ATOM 769 CD1 TYR A 47 -1.015 -0.300 7.703 1.00 0.00 C ATOM 770 CD2 TYR A 47 0.492 -0.431 5.861 1.00 0.00 C ATOM 771 CE1 TYR A 47 -2.081 -0.195 6.829 1.00 0.00 C ATOM 772 CE2 TYR A 47 -0.568 -0.325 4.981 1.00 0.00 C ATOM 773 CZ TYR A 47 -1.851 -0.208 5.469 1.00 0.00 C ATOM 774 OH TYR A 47 -2.910 -0.103 4.596 1.00 0.00 O ATOM 0 H TYR A 47 0.120 -0.130 10.234 1.00 0.00 H new ATOM 0 HA TYR A 47 0.817 -2.489 8.818 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.610 0.432 8.676 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.356 -0.759 7.628 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -1.198 -0.289 8.767 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.496 -0.525 5.474 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.088 -0.103 7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.392 -0.334 3.916 1.00 0.00 H new ATOM 0 HH TYR A 47 -2.578 -0.127 3.674 1.00 0.00 H new ATOM 784 N GLY A 48 3.165 -1.090 10.681 1.00 0.00 N ATOM 785 CA GLY A 48 4.448 -1.352 11.304 1.00 0.00 C ATOM 786 C GLY A 48 4.400 -2.519 12.270 1.00 0.00 C ATOM 787 O GLY A 48 4.007 -2.360 13.426 1.00 0.00 O ATOM 0 H GLY A 48 2.750 -0.189 10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.188 -1.556 10.530 1.00 0.00 H new ATOM 0 HA3 GLY A 48 4.779 -0.459 11.835 1.00 0.00 H new ATOM 791 N ARG A 49 4.798 -3.694 11.796 1.00 0.00 N ATOM 792 CA ARG A 49 4.799 -4.893 12.625 1.00 0.00 C ATOM 793 C ARG A 49 5.965 -5.807 12.259 1.00 0.00 C ATOM 794 O ARG A 49 6.915 -5.955 13.027 1.00 0.00 O ATOM 795 CB ARG A 49 3.477 -5.647 12.471 1.00 0.00 C ATOM 796 CG ARG A 49 2.334 -5.041 13.271 1.00 0.00 C ATOM 797 CD ARG A 49 1.655 -6.079 14.152 1.00 0.00 C ATOM 798 NE ARG A 49 2.205 -6.091 15.506 1.00 0.00 N ATOM 799 CZ ARG A 49 2.042 -5.102 16.381 1.00 0.00 C ATOM 800 NH1 ARG A 49 1.345 -4.022 16.051 1.00 0.00 N ATOM 801 NH2 ARG A 49 2.577 -5.194 17.590 1.00 0.00 N ATOM 0 H ARG A 49 5.124 -3.842 10.841 1.00 0.00 H new ATOM 0 HA ARG A 49 4.914 -4.585 13.664 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.201 -5.668 11.417 1.00 0.00 H new ATOM 0 HB3 ARG A 49 3.620 -6.681 12.783 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.714 -4.229 13.891 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.602 -4.607 12.590 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.586 -5.873 14.197 1.00 0.00 H new ATOM 0 HD3 ARG A 49 1.771 -7.066 13.705 1.00 0.00 H new ATOM 0 HE ARG A 49 2.746 -6.905 15.797 1.00 0.00 H new ATOM 0 HH11 ARG A 49 0.931 -3.947 15.122 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.224 -3.267 16.726 1.00 0.00 H new ATOM 0 HH21 ARG A 49 3.113 -6.022 17.849 1.00 0.00 H new ATOM 0 HH22 ARG A 49 2.453 -4.436 18.262 1.00 0.00 H new ATOM 815 N ARG A 50 5.884 -6.414 11.080 1.00 0.00 N ATOM 816 CA ARG A 50 6.932 -7.314 10.611 1.00 0.00 C ATOM 817 C ARG A 50 7.006 -7.311 9.087 1.00 0.00 C ATOM 818 O ARG A 50 6.306 -6.547 8.423 1.00 0.00 O ATOM 819 CB ARG A 50 6.681 -8.734 11.119 1.00 0.00 C ATOM 820 CG ARG A 50 5.395 -9.349 10.591 1.00 0.00 C ATOM 821 CD ARG A 50 5.493 -10.865 10.513 1.00 0.00 C ATOM 822 NE ARG A 50 4.179 -11.500 10.505 1.00 0.00 N ATOM 823 CZ ARG A 50 3.399 -11.579 9.429 1.00 0.00 C ATOM 824 NH1 ARG A 50 3.799 -11.065 8.272 1.00 0.00 N ATOM 825 NH2 ARG A 50 2.217 -12.175 9.508 1.00 0.00 N ATOM 0 H ARG A 50 5.105 -6.300 10.432 1.00 0.00 H new ATOM 0 HA ARG A 50 7.885 -6.960 11.005 1.00 0.00 H new ATOM 0 HB2 ARG A 50 7.521 -9.367 10.833 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.648 -8.721 12.208 1.00 0.00 H new ATOM 0 HG2 ARG A 50 4.564 -9.070 11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.177 -8.946 9.602 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.037 -11.147 9.611 1.00 0.00 H new ATOM 0 HD3 ARG A 50 6.069 -11.235 11.361 1.00 0.00 H new ATOM 0 HE ARG A 50 3.838 -11.908 11.376 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.708 -10.607 8.204 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.197 -11.128 7.451 1.00 0.00 H new ATOM 0 HH21 ARG A 50 1.905 -12.573 10.394 1.00 0.00 H new ATOM 0 HH22 ARG A 50 1.620 -12.235 8.683 1.00 0.00 H new ATOM 839 N LYS A 51 7.858 -8.172 8.540 1.00 0.00 N ATOM 840 CA LYS A 51 8.020 -8.270 7.094 1.00 0.00 C ATOM 841 C LYS A 51 8.483 -6.939 6.507 1.00 0.00 C ATOM 842 O LYS A 51 7.746 -6.283 5.771 1.00 0.00 O ATOM 843 CB LYS A 51 6.705 -8.703 6.443 1.00 0.00 C ATOM 844 CG LYS A 51 6.550 -10.211 6.321 1.00 0.00 C ATOM 845 CD LYS A 51 7.733 -10.842 5.601 1.00 0.00 C ATOM 846 CE LYS A 51 8.561 -11.707 6.538 1.00 0.00 C ATOM 847 NZ LYS A 51 7.793 -12.883 7.032 1.00 0.00 N ATOM 0 H LYS A 51 8.446 -8.811 9.075 1.00 0.00 H new ATOM 0 HA LYS A 51 8.783 -9.020 6.886 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.874 -8.307 7.026 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.638 -8.258 5.450 1.00 0.00 H new ATOM 0 HG2 LYS A 51 6.453 -10.648 7.315 1.00 0.00 H new ATOM 0 HG3 LYS A 51 5.631 -10.440 5.781 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.373 -11.447 4.769 1.00 0.00 H new ATOM 0 HD3 LYS A 51 8.362 -10.059 5.177 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.456 -12.050 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.893 -11.108 7.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.453 -13.636 7.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.219 -12.603 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 7.169 -13.232 6.277 1.00 0.00 H new ATOM 861 N ARG A 52 9.708 -6.546 6.839 1.00 0.00 N ATOM 862 CA ARG A 52 10.270 -5.295 6.345 1.00 0.00 C ATOM 863 C ARG A 52 10.494 -5.354 4.837 1.00 0.00 C ATOM 864 O ARG A 52 10.069 -4.463 4.102 1.00 0.00 O ATOM 865 CB ARG A 52 11.589 -4.987 7.056 1.00 0.00 C ATOM 866 CG ARG A 52 11.408 -4.428 8.458 1.00 0.00 C ATOM 867 CD ARG A 52 11.478 -5.522 9.509 1.00 0.00 C ATOM 868 NE ARG A 52 12.793 -5.592 10.140 1.00 0.00 N ATOM 869 CZ ARG A 52 13.044 -6.268 11.260 1.00 0.00 C ATOM 870 NH1 ARG A 52 12.073 -6.934 11.873 1.00 0.00 N ATOM 871 NH2 ARG A 52 14.269 -6.279 11.767 1.00 0.00 N ATOM 0 H ARG A 52 10.331 -7.076 7.448 1.00 0.00 H new ATOM 0 HA ARG A 52 9.556 -4.499 6.556 1.00 0.00 H new ATOM 0 HB2 ARG A 52 12.184 -5.899 7.111 1.00 0.00 H new ATOM 0 HB3 ARG A 52 12.156 -4.272 6.459 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.179 -3.683 8.656 1.00 0.00 H new ATOM 0 HG3 ARG A 52 10.447 -3.918 8.526 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.720 -5.342 10.271 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.245 -6.482 9.049 1.00 0.00 H new ATOM 0 HE ARG A 52 13.565 -5.094 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 52 11.129 -6.930 11.487 1.00 0.00 H new ATOM 0 HH12 ARG A 52 12.271 -7.450 12.730 1.00 0.00 H new ATOM 0 HH21 ARG A 52 15.019 -5.770 11.299 1.00 0.00 H new ATOM 0 HH22 ARG A 52 14.461 -6.797 12.625 1.00 0.00 H new ATOM 885 N ASN A 53 11.163 -6.408 4.385 1.00 0.00 N ATOM 886 CA ASN A 53 11.444 -6.583 2.964 1.00 0.00 C ATOM 887 C ASN A 53 10.161 -6.845 2.182 1.00 0.00 C ATOM 888 O ASN A 53 9.914 -6.223 1.148 1.00 0.00 O ATOM 889 CB ASN A 53 12.427 -7.737 2.754 1.00 0.00 C ATOM 890 CG ASN A 53 13.391 -7.474 1.615 1.00 0.00 C ATOM 891 OD1 ASN A 53 12.989 -7.387 0.454 1.00 0.00 O ATOM 892 ND2 ASN A 53 14.673 -7.348 1.940 1.00 0.00 N ATOM 0 H ASN A 53 11.521 -7.154 4.981 1.00 0.00 H new ATOM 0 HA ASN A 53 11.892 -5.661 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 53 12.990 -7.903 3.672 1.00 0.00 H new ATOM 0 HB3 ASN A 53 11.871 -8.652 2.552 1.00 0.00 H new ATOM 0 HD21 ASN A 53 15.368 -7.172 1.215 1.00 0.00 H new ATOM 0 HD22 ASN A 53 14.962 -7.427 2.915 1.00 0.00 H new ATOM 899 N ALA A 54 9.346 -7.768 2.683 1.00 0.00 N ATOM 900 CA ALA A 54 8.088 -8.111 2.030 1.00 0.00 C ATOM 901 C ALA A 54 7.170 -6.898 1.941 1.00 0.00 C ATOM 902 O ALA A 54 6.550 -6.650 0.906 1.00 0.00 O ATOM 903 CB ALA A 54 7.399 -9.245 2.773 1.00 0.00 C ATOM 0 H ALA A 54 9.534 -8.291 3.538 1.00 0.00 H new ATOM 0 HA ALA A 54 8.311 -8.441 1.015 1.00 0.00 H new ATOM 0 HB1 ALA A 54 6.461 -9.490 2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.046 -10.122 2.780 1.00 0.00 H new ATOM 0 HB3 ALA A 54 7.195 -8.937 3.798 1.00 0.00 H new ATOM 909 N PHE A 55 7.087 -6.143 3.033 1.00 0.00 N ATOM 910 CA PHE A 55 6.244 -4.952 3.077 1.00 0.00 C ATOM 911 C PHE A 55 6.652 -3.960 1.992 1.00 0.00 C ATOM 912 O PHE A 55 5.802 -3.356 1.339 1.00 0.00 O ATOM 913 CB PHE A 55 6.333 -4.289 4.453 1.00 0.00 C ATOM 914 CG PHE A 55 5.488 -3.054 4.581 1.00 0.00 C ATOM 915 CD1 PHE A 55 4.112 -3.120 4.426 1.00 0.00 C ATOM 916 CD2 PHE A 55 6.069 -1.827 4.859 1.00 0.00 C ATOM 917 CE1 PHE A 55 3.332 -1.985 4.543 1.00 0.00 C ATOM 918 CE2 PHE A 55 5.293 -0.688 4.977 1.00 0.00 C ATOM 919 CZ PHE A 55 3.924 -0.767 4.820 1.00 0.00 C ATOM 0 H PHE A 55 7.592 -6.334 3.898 1.00 0.00 H new ATOM 0 HA PHE A 55 5.213 -5.257 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 55 6.029 -5.008 5.214 1.00 0.00 H new ATOM 0 HB3 PHE A 55 7.372 -4.031 4.656 1.00 0.00 H new ATOM 0 HD1 PHE A 55 3.644 -4.069 4.211 1.00 0.00 H new ATOM 0 HD2 PHE A 55 7.139 -1.759 4.985 1.00 0.00 H new ATOM 0 HE1 PHE A 55 2.261 -2.050 4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 55 5.758 0.263 5.192 1.00 0.00 H new ATOM 0 HZ PHE A 55 3.317 0.121 4.913 1.00 0.00 H new ATOM 929 N ARG A 56 7.957 -3.800 1.804 1.00 0.00 N ATOM 930 CA ARG A 56 8.478 -2.885 0.796 1.00 0.00 C ATOM 931 C ARG A 56 8.043 -3.315 -0.601 1.00 0.00 C ATOM 932 O ARG A 56 7.632 -2.489 -1.416 1.00 0.00 O ATOM 933 CB ARG A 56 10.005 -2.822 0.871 1.00 0.00 C ATOM 934 CG ARG A 56 10.523 -2.086 2.096 1.00 0.00 C ATOM 935 CD ARG A 56 10.858 -0.637 1.776 1.00 0.00 C ATOM 936 NE ARG A 56 10.633 0.242 2.921 1.00 0.00 N ATOM 937 CZ ARG A 56 11.163 1.458 3.037 1.00 0.00 C ATOM 938 NH1 ARG A 56 11.947 1.942 2.082 1.00 0.00 N ATOM 939 NH2 ARG A 56 10.909 2.192 4.112 1.00 0.00 N ATOM 0 H ARG A 56 8.674 -4.293 2.337 1.00 0.00 H new ATOM 0 HA ARG A 56 8.072 -1.893 0.996 1.00 0.00 H new ATOM 0 HB2 ARG A 56 10.403 -3.837 0.872 1.00 0.00 H new ATOM 0 HB3 ARG A 56 10.385 -2.331 -0.025 1.00 0.00 H new ATOM 0 HG2 ARG A 56 9.774 -2.121 2.887 1.00 0.00 H new ATOM 0 HG3 ARG A 56 11.411 -2.590 2.476 1.00 0.00 H new ATOM 0 HD2 ARG A 56 11.900 -0.566 1.464 1.00 0.00 H new ATOM 0 HD3 ARG A 56 10.250 -0.301 0.936 1.00 0.00 H new ATOM 0 HE ARG A 56 10.035 -0.095 3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 56 12.147 1.382 1.253 1.00 0.00 H new ATOM 0 HH12 ARG A 56 12.350 2.874 2.177 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.308 1.825 4.850 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.315 3.124 4.201 1.00 0.00 H new ATOM 953 N ILE A 57 8.135 -4.613 -0.869 1.00 0.00 N ATOM 954 CA ILE A 57 7.749 -5.153 -2.167 1.00 0.00 C ATOM 955 C ILE A 57 6.272 -4.895 -2.447 1.00 0.00 C ATOM 956 O ILE A 57 5.898 -4.512 -3.555 1.00 0.00 O ATOM 957 CB ILE A 57 8.021 -6.669 -2.252 1.00 0.00 C ATOM 958 CG1 ILE A 57 9.470 -6.974 -1.868 1.00 0.00 C ATOM 959 CG2 ILE A 57 7.718 -7.187 -3.650 1.00 0.00 C ATOM 960 CD1 ILE A 57 9.636 -8.279 -1.121 1.00 0.00 C ATOM 0 H ILE A 57 8.473 -5.310 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 57 8.355 -4.643 -2.916 1.00 0.00 H new ATOM 0 HB ILE A 57 7.364 -7.178 -1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 57 10.078 -7.002 -2.772 1.00 0.00 H new ATOM 0 HG13 ILE A 57 9.853 -6.161 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 57 7.915 -8.258 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 57 6.671 -7.002 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 57 8.351 -6.673 -4.374 1.00 0.00 H new ATOM 0 HD11 ILE A 57 10.689 -8.430 -0.881 1.00 0.00 H new ATOM 0 HD12 ILE A 57 9.055 -8.247 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 57 9.284 -9.102 -1.743 1.00 0.00 H new ATOM 972 N GLN A 58 5.438 -5.107 -1.435 1.00 0.00 N ATOM 973 CA GLN A 58 4.002 -4.894 -1.572 1.00 0.00 C ATOM 974 C GLN A 58 3.702 -3.445 -1.941 1.00 0.00 C ATOM 975 O GLN A 58 2.906 -3.175 -2.841 1.00 0.00 O ATOM 976 CB GLN A 58 3.283 -5.264 -0.273 1.00 0.00 C ATOM 977 CG GLN A 58 2.780 -6.697 -0.243 1.00 0.00 C ATOM 978 CD GLN A 58 3.701 -7.624 0.526 1.00 0.00 C ATOM 979 OE1 GLN A 58 4.453 -8.400 -0.064 1.00 0.00 O ATOM 980 NE2 GLN A 58 3.648 -7.547 1.850 1.00 0.00 N ATOM 0 H GLN A 58 5.731 -5.426 -0.512 1.00 0.00 H new ATOM 0 HA GLN A 58 3.638 -5.537 -2.373 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.962 -5.109 0.565 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.440 -4.589 -0.129 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.788 -6.720 0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.674 -7.062 -1.265 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.010 -6.889 2.297 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.246 -8.146 2.420 1.00 0.00 H new ATOM 989 N VAL A 59 4.346 -2.517 -1.241 1.00 0.00 N ATOM 990 CA VAL A 59 4.150 -1.096 -1.497 1.00 0.00 C ATOM 991 C VAL A 59 4.653 -0.719 -2.886 1.00 0.00 C ATOM 992 O VAL A 59 4.088 0.150 -3.549 1.00 0.00 O ATOM 993 CB VAL A 59 4.872 -0.229 -0.447 1.00 0.00 C ATOM 994 CG1 VAL A 59 4.525 1.240 -0.635 1.00 0.00 C ATOM 995 CG2 VAL A 59 4.521 -0.691 0.960 1.00 0.00 C ATOM 0 H VAL A 59 5.008 -2.724 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 59 3.078 -0.906 -1.435 1.00 0.00 H new ATOM 0 HB VAL A 59 5.947 -0.345 -0.586 1.00 0.00 H new ATOM 0 HG11 VAL A 59 5.044 1.836 0.116 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.832 1.562 -1.630 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.449 1.377 -0.526 1.00 0.00 H new ATOM 0 HG21 VAL A 59 5.040 -0.067 1.688 1.00 0.00 H new ATOM 0 HG22 VAL A 59 3.445 -0.608 1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.826 -1.729 1.089 1.00 0.00 H new ATOM 1005 N GLU A 60 5.718 -1.384 -3.324 1.00 0.00 N ATOM 1006 CA GLU A 60 6.297 -1.124 -4.636 1.00 0.00 C ATOM 1007 C GLU A 60 5.342 -1.558 -5.743 1.00 0.00 C ATOM 1008 O GLU A 60 5.113 -0.824 -6.704 1.00 0.00 O ATOM 1009 CB GLU A 60 7.632 -1.857 -4.784 1.00 0.00 C ATOM 1010 CG GLU A 60 8.725 -1.319 -3.874 1.00 0.00 C ATOM 1011 CD GLU A 60 9.978 -0.929 -4.635 1.00 0.00 C ATOM 1012 OE1 GLU A 60 9.901 -0.007 -5.473 1.00 0.00 O ATOM 1013 OE2 GLU A 60 11.036 -1.547 -4.391 1.00 0.00 O ATOM 0 H GLU A 60 6.197 -2.108 -2.788 1.00 0.00 H new ATOM 0 HA GLU A 60 6.469 -0.051 -4.724 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.482 -2.915 -4.571 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.964 -1.784 -5.820 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.348 -0.451 -3.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.977 -2.074 -3.129 1.00 0.00 H new ATOM 1020 N LYS A 61 4.788 -2.758 -5.599 1.00 0.00 N ATOM 1021 CA LYS A 61 3.857 -3.293 -6.585 1.00 0.00 C ATOM 1022 C LYS A 61 2.495 -2.617 -6.468 1.00 0.00 C ATOM 1023 O LYS A 61 1.862 -2.296 -7.474 1.00 0.00 O ATOM 1024 CB LYS A 61 3.707 -4.806 -6.407 1.00 0.00 C ATOM 1025 CG LYS A 61 4.794 -5.610 -7.102 1.00 0.00 C ATOM 1026 CD LYS A 61 6.179 -5.204 -6.624 1.00 0.00 C ATOM 1027 CE LYS A 61 7.269 -5.949 -7.376 1.00 0.00 C ATOM 1028 NZ LYS A 61 7.534 -5.350 -8.713 1.00 0.00 N ATOM 0 H LYS A 61 4.968 -3.378 -4.809 1.00 0.00 H new ATOM 0 HA LYS A 61 4.259 -3.090 -7.577 1.00 0.00 H new ATOM 0 HB2 LYS A 61 3.717 -5.041 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 61 2.735 -5.114 -6.793 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.640 -6.672 -6.913 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.723 -5.465 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.311 -4.130 -6.759 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.270 -5.405 -5.556 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.186 -5.941 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.977 -6.992 -7.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.284 -5.888 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.666 -5.381 -9.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.837 -4.362 -8.597 1.00 0.00 H new ATOM 1042 N VAL A 62 2.048 -2.403 -5.235 1.00 0.00 N ATOM 1043 CA VAL A 62 0.763 -1.763 -4.990 1.00 0.00 C ATOM 1044 C VAL A 62 0.737 -0.351 -5.569 1.00 0.00 C ATOM 1045 O VAL A 62 -0.309 0.138 -5.991 1.00 0.00 O ATOM 1046 CB VAL A 62 0.434 -1.716 -3.480 1.00 0.00 C ATOM 1047 CG1 VAL A 62 -0.641 -0.678 -3.187 1.00 0.00 C ATOM 1048 CG2 VAL A 62 -0.002 -3.090 -2.993 1.00 0.00 C ATOM 0 H VAL A 62 2.557 -2.664 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 62 0.003 -2.364 -5.490 1.00 0.00 H new ATOM 0 HB VAL A 62 1.337 -1.425 -2.943 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.853 -0.666 -2.118 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.291 0.306 -3.499 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.549 -0.930 -3.734 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.231 -3.043 -1.928 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -0.890 -3.406 -3.541 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.802 -3.807 -3.160 1.00 0.00 H new ATOM 1058 N PHE A 63 1.893 0.302 -5.583 1.00 0.00 N ATOM 1059 CA PHE A 63 1.994 1.656 -6.111 1.00 0.00 C ATOM 1060 C PHE A 63 1.846 1.657 -7.630 1.00 0.00 C ATOM 1061 O PHE A 63 1.172 2.516 -8.199 1.00 0.00 O ATOM 1062 CB PHE A 63 3.332 2.283 -5.717 1.00 0.00 C ATOM 1063 CG PHE A 63 3.485 3.706 -6.172 1.00 0.00 C ATOM 1064 CD1 PHE A 63 2.836 4.733 -5.506 1.00 0.00 C ATOM 1065 CD2 PHE A 63 4.279 4.017 -7.264 1.00 0.00 C ATOM 1066 CE1 PHE A 63 2.975 6.043 -5.922 1.00 0.00 C ATOM 1067 CE2 PHE A 63 4.421 5.325 -7.685 1.00 0.00 C ATOM 1068 CZ PHE A 63 3.769 6.341 -7.013 1.00 0.00 C ATOM 0 H PHE A 63 2.771 -0.083 -5.236 1.00 0.00 H new ATOM 0 HA PHE A 63 1.185 2.248 -5.683 1.00 0.00 H new ATOM 0 HB2 PHE A 63 3.437 2.243 -4.633 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.141 1.687 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.215 4.507 -4.652 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.793 3.228 -7.792 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.463 6.834 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.041 5.553 -8.539 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.880 7.365 -7.339 1.00 0.00 H new ATOM 1078 N SER A 64 2.488 0.693 -8.280 1.00 0.00 N ATOM 1079 CA SER A 64 2.434 0.580 -9.733 1.00 0.00 C ATOM 1080 C SER A 64 1.087 0.033 -10.202 1.00 0.00 C ATOM 1081 O SER A 64 0.619 0.366 -11.291 1.00 0.00 O ATOM 1082 CB SER A 64 3.564 -0.321 -10.235 1.00 0.00 C ATOM 1083 OG SER A 64 4.811 0.074 -9.689 1.00 0.00 O ATOM 0 H SER A 64 3.053 -0.023 -7.823 1.00 0.00 H new ATOM 0 HA SER A 64 2.556 1.580 -10.148 1.00 0.00 H new ATOM 0 HB2 SER A 64 3.356 -1.356 -9.964 1.00 0.00 H new ATOM 0 HB3 SER A 64 3.610 -0.280 -11.323 1.00 0.00 H new ATOM 0 HG SER A 64 4.868 -0.222 -8.757 1.00 0.00 H new ATOM 1089 N ILE A 65 0.477 -0.820 -9.384 1.00 0.00 N ATOM 1090 CA ILE A 65 -0.805 -1.422 -9.732 1.00 0.00 C ATOM 1091 C ILE A 65 -1.962 -0.440 -9.559 1.00 0.00 C ATOM 1092 O ILE A 65 -2.832 -0.341 -10.421 1.00 0.00 O ATOM 1093 CB ILE A 65 -1.073 -2.696 -8.899 1.00 0.00 C ATOM 1094 CG1 ILE A 65 -2.171 -3.536 -9.550 1.00 0.00 C ATOM 1095 CG2 ILE A 65 -1.448 -2.342 -7.467 1.00 0.00 C ATOM 1096 CD1 ILE A 65 -2.243 -4.952 -9.021 1.00 0.00 C ATOM 0 H ILE A 65 0.849 -1.109 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.744 -1.696 -10.785 1.00 0.00 H new ATOM 0 HB ILE A 65 -0.156 -3.284 -8.871 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -3.133 -3.048 -9.391 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.003 -3.567 -10.627 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -1.631 -3.256 -6.902 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -0.632 -1.787 -7.004 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.349 -1.729 -7.468 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.044 -5.489 -9.528 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -1.295 -5.457 -9.204 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.442 -4.930 -7.949 1.00 0.00 H new ATOM 1108 N ILE A 66 -1.970 0.285 -8.444 1.00 0.00 N ATOM 1109 CA ILE A 66 -3.031 1.252 -8.174 1.00 0.00 C ATOM 1110 C ILE A 66 -3.186 2.238 -9.326 1.00 0.00 C ATOM 1111 O ILE A 66 -4.292 2.680 -9.633 1.00 0.00 O ATOM 1112 CB ILE A 66 -2.767 2.038 -6.875 1.00 0.00 C ATOM 1113 CG1 ILE A 66 -1.404 2.729 -6.937 1.00 0.00 C ATOM 1114 CG2 ILE A 66 -2.850 1.116 -5.669 1.00 0.00 C ATOM 1115 CD1 ILE A 66 -1.068 3.512 -5.687 1.00 0.00 C ATOM 0 H ILE A 66 -1.258 0.222 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.952 0.680 -8.061 1.00 0.00 H new ATOM 0 HB ILE A 66 -3.535 2.805 -6.771 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -0.632 1.978 -7.104 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.385 3.402 -7.794 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.661 1.688 -4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.844 0.672 -5.618 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.104 0.326 -5.763 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -0.088 3.975 -5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -1.819 4.286 -5.529 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.054 2.840 -4.829 1.00 0.00 H new ATOM 1127 N SER A 67 -2.073 2.583 -9.960 1.00 0.00 N ATOM 1128 CA SER A 67 -2.093 3.521 -11.076 1.00 0.00 C ATOM 1129 C SER A 67 -2.706 2.885 -12.322 1.00 0.00 C ATOM 1130 O SER A 67 -3.582 3.468 -12.959 1.00 0.00 O ATOM 1131 CB SER A 67 -0.675 4.007 -11.384 1.00 0.00 C ATOM 1132 OG SER A 67 0.123 4.025 -10.214 1.00 0.00 O ATOM 0 H SER A 67 -1.147 2.229 -9.722 1.00 0.00 H new ATOM 0 HA SER A 67 -2.711 4.372 -10.788 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.218 3.356 -12.130 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.716 5.007 -11.816 1.00 0.00 H new ATOM 0 HG SER A 67 1.025 4.337 -10.438 1.00 0.00 H new ATOM 1138 N SER A 68 -2.229 1.696 -12.671 1.00 0.00 N ATOM 1139 CA SER A 68 -2.721 0.989 -13.850 1.00 0.00 C ATOM 1140 C SER A 68 -4.112 0.395 -13.624 1.00 0.00 C ATOM 1141 O SER A 68 -5.013 0.577 -14.442 1.00 0.00 O ATOM 1142 CB SER A 68 -1.742 -0.118 -14.246 1.00 0.00 C ATOM 1143 OG SER A 68 -0.929 0.285 -15.333 1.00 0.00 O ATOM 0 H SER A 68 -1.502 1.200 -12.155 1.00 0.00 H new ATOM 0 HA SER A 68 -2.799 1.717 -14.658 1.00 0.00 H new ATOM 0 HB2 SER A 68 -1.113 -0.374 -13.393 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.295 -1.018 -14.516 1.00 0.00 H new ATOM 0 HG SER A 68 -0.311 -0.439 -15.566 1.00 0.00 H new ATOM 1149 N GLU A 69 -4.276 -0.332 -12.523 1.00 0.00 N ATOM 1150 CA GLU A 69 -5.553 -0.968 -12.210 1.00 0.00 C ATOM 1151 C GLU A 69 -6.679 0.055 -12.081 1.00 0.00 C ATOM 1152 O GLU A 69 -7.745 -0.108 -12.674 1.00 0.00 O ATOM 1153 CB GLU A 69 -5.445 -1.781 -10.918 1.00 0.00 C ATOM 1154 CG GLU A 69 -4.892 -3.182 -11.125 1.00 0.00 C ATOM 1155 CD GLU A 69 -5.744 -4.009 -12.069 1.00 0.00 C ATOM 1156 OE1 GLU A 69 -6.966 -4.109 -11.832 1.00 0.00 O ATOM 1157 OE2 GLU A 69 -5.188 -4.558 -13.043 1.00 0.00 O ATOM 0 H GLU A 69 -3.543 -0.496 -11.833 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.794 -1.634 -13.039 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.805 -1.247 -10.215 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.432 -1.853 -10.460 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.878 -3.114 -11.520 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.825 -3.689 -10.162 1.00 0.00 H new ATOM 1164 N LYS A 70 -6.443 1.104 -11.300 1.00 0.00 N ATOM 1165 CA LYS A 70 -7.450 2.140 -11.097 1.00 0.00 C ATOM 1166 C LYS A 70 -7.378 3.201 -12.192 1.00 0.00 C ATOM 1167 O LYS A 70 -8.372 3.482 -12.862 1.00 0.00 O ATOM 1168 CB LYS A 70 -7.278 2.785 -9.721 1.00 0.00 C ATOM 1169 CG LYS A 70 -8.437 2.514 -8.776 1.00 0.00 C ATOM 1170 CD LYS A 70 -8.414 1.083 -8.263 1.00 0.00 C ATOM 1171 CE LYS A 70 -8.784 1.012 -6.790 1.00 0.00 C ATOM 1172 NZ LYS A 70 -10.232 0.728 -6.594 1.00 0.00 N ATOM 0 H LYS A 70 -5.568 1.259 -10.799 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.432 1.670 -11.147 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -6.357 2.417 -9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -7.165 3.862 -9.845 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -8.390 3.204 -7.934 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -9.379 2.702 -9.291 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -9.109 0.476 -8.843 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -7.421 0.659 -8.410 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -8.193 0.236 -6.304 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -8.530 1.955 -6.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -10.443 0.688 -5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.796 1.482 -7.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.469 -0.184 -7.033 1.00 0.00 H new ATOM 1186 N GLU A 71 -6.199 3.786 -12.370 1.00 0.00 N ATOM 1187 CA GLU A 71 -6.003 4.816 -13.384 1.00 0.00 C ATOM 1188 C GLU A 71 -6.901 6.020 -13.116 1.00 0.00 C ATOM 1189 O GLU A 71 -7.922 5.907 -12.438 1.00 0.00 O ATOM 1190 CB GLU A 71 -6.286 4.249 -14.778 1.00 0.00 C ATOM 1191 CG GLU A 71 -5.211 4.580 -15.799 1.00 0.00 C ATOM 1192 CD GLU A 71 -5.668 4.340 -17.225 1.00 0.00 C ATOM 1193 OE1 GLU A 71 -6.597 3.530 -17.422 1.00 0.00 O ATOM 1194 OE2 GLU A 71 -5.097 4.965 -18.144 1.00 0.00 O ATOM 0 H GLU A 71 -5.365 3.565 -11.826 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.965 5.145 -13.339 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.387 3.166 -14.707 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -7.242 4.636 -15.131 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -4.917 5.624 -15.686 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -4.326 3.976 -15.598 1.00 0.00 H new ATOM 1201 N LEU A 72 -6.512 7.172 -13.652 1.00 0.00 N ATOM 1202 CA LEU A 72 -7.282 8.398 -13.471 1.00 0.00 C ATOM 1203 C LEU A 72 -8.330 8.550 -14.567 1.00 0.00 C ATOM 1204 O LEU A 72 -8.115 8.139 -15.707 1.00 0.00 O ATOM 1205 CB LEU A 72 -6.352 9.613 -13.465 1.00 0.00 C ATOM 1206 CG LEU A 72 -5.755 9.965 -12.100 1.00 0.00 C ATOM 1207 CD1 LEU A 72 -6.843 10.444 -11.151 1.00 0.00 C ATOM 1208 CD2 LEU A 72 -5.024 8.766 -11.515 1.00 0.00 C ATOM 0 H LEU A 72 -5.669 7.283 -14.215 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.794 8.337 -12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.537 9.431 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.904 10.476 -13.837 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.037 10.774 -12.234 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -6.401 10.690 -10.185 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.324 11.330 -11.566 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.585 9.656 -11.020 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.605 9.033 -10.545 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.722 7.938 -11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.220 8.467 -12.187 1.00 0.00 H new ATOM 1220 N LYS A 73 -9.465 9.146 -14.214 1.00 0.00 N ATOM 1221 CA LYS A 73 -10.548 9.353 -15.168 1.00 0.00 C ATOM 1222 C LYS A 73 -11.031 8.025 -15.741 1.00 0.00 C ATOM 1223 O LYS A 73 -10.428 6.978 -15.503 1.00 0.00 O ATOM 1224 CB LYS A 73 -10.089 10.276 -16.299 1.00 0.00 C ATOM 1225 CG LYS A 73 -10.450 11.736 -16.077 1.00 0.00 C ATOM 1226 CD LYS A 73 -9.623 12.352 -14.958 1.00 0.00 C ATOM 1227 CE LYS A 73 -8.525 13.250 -15.505 1.00 0.00 C ATOM 1228 NZ LYS A 73 -8.902 14.689 -15.442 1.00 0.00 N ATOM 0 H LYS A 73 -9.658 9.494 -13.275 1.00 0.00 H new ATOM 0 HA LYS A 73 -11.379 9.822 -14.641 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.008 10.191 -16.411 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.534 9.939 -17.235 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.290 12.295 -16.999 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.510 11.817 -15.834 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.272 12.929 -14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.180 11.560 -14.354 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.608 13.090 -14.937 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.312 12.975 -16.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -8.127 15.268 -15.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.762 14.847 -16.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -9.080 14.958 -14.453 1.00 0.00 H new ATOM 1242 N ASN A 74 -12.124 8.075 -16.496 1.00 0.00 N ATOM 1243 CA ASN A 74 -12.688 6.876 -17.104 1.00 0.00 C ATOM 1244 C ASN A 74 -11.765 6.328 -18.187 1.00 0.00 C ATOM 1245 O ASN A 74 -10.966 7.117 -18.736 1.00 0.00 O ATOM 1246 CB ASN A 74 -14.066 7.179 -17.696 1.00 0.00 C ATOM 1247 CG ASN A 74 -14.020 8.289 -18.728 1.00 0.00 C ATOM 1248 OD1 ASN A 74 -13.103 8.353 -19.548 1.00 0.00 O ATOM 1249 ND2 ASN A 74 -15.011 9.172 -18.693 1.00 0.00 N ATOM 1250 OXT ASN A 74 -11.847 5.116 -18.477 1.00 0.00 O ATOM 0 H ASN A 74 -12.636 8.933 -16.701 1.00 0.00 H new ATOM 0 HA ASN A 74 -12.793 6.120 -16.326 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -14.468 6.276 -18.155 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -14.749 7.460 -16.894 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -15.033 9.941 -19.363 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -15.751 9.081 -17.997 1.00 0.00 H new TER 1257 ASN A 74