USER MOD reduce.3.24.130724 H: found=0, std=0, add=749, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 748 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 72 ASN : amide:sc= 1.14 K(o=2.4,f=-3.2) USER MOD Set 1.2: A 73 LYS NZ :NH3+ -159:sc= 1.23 (180deg=0) USER MOD Single : A 1 MET CE :methyl 163:sc= -0.0845 (180deg=-0.456) USER MOD Single : A 1 MET N :NH3+ -143:sc= 1.29 (180deg=-0.532!) USER MOD Single : A 6 LYS NZ :NH3+ 175:sc= -1.12! (180deg=-1.26!) USER MOD Single : A 14 LYS NZ :NH3+ -164:sc= 0.612 (180deg=0.351) USER MOD Single : A 15 MET CE :methyl -131:sc= -0.435 (180deg=-2.15!) USER MOD Single : A 16 LYS NZ :NH3+ 172:sc=-0.00944 (180deg=-0.0834) USER MOD Single : A 18 TYR OH : rot 73:sc= 1.31 USER MOD Single : A 20 HIS : no HD1:sc= -0.695 K(o=-0.7,f=-0.15) USER MOD Single : A 34 LYS NZ :NH3+ -178:sc= 1.27 (180deg=1.23) USER MOD Single : A 37 THR OG1 : rot 129:sc= 0.0678 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -177:sc= 1.27 (180deg=1.22) USER MOD Single : A 47 THR OG1 : rot 161:sc= 1.22 USER MOD Single : A 48 HIS : no HD1:sc= -1.21! C(o=-1.2!,f=-7.5!) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -173:sc= 2.19 (180deg=1.89) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot -88:sc= 1.19 USER MOD Single : A 64 ASN : amide:sc= -1.88! C(o=-1.9!,f=-5.6!) USER MOD Single : A 65 LYS NZ :NH3+ -157:sc= 2.07 (180deg=1.44) USER MOD Single : A 67 LYS NZ :NH3+ -179:sc= 1.98 (180deg=1.95) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 147:sc= 0.713 (180deg=-0.255) USER MOD Single : A 75 LYS NZ :NH3+ -112:sc= -0.0139 (180deg=-1.42!) USER MOD Single : A 78 ASN : amide:sc= 0.615 K(o=0.61,f=-0.94) USER MOD Single : A 86 ASN : amide:sc= -3.1! K(o=-3.1!,f=-0.78) USER MOD Single : A 87 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.4) USER MOD Single : A 89 LYS NZ :NH3+ 171:sc= 1.75 (180deg=1.52) USER MOD Single : A 91 LYS NZ :NH3+ 158:sc= 1.49 (180deg=-0.159) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.529 11.401 10.942 1.00 0.00 N ATOM 2 CA MET A 1 -7.365 12.060 11.535 1.00 0.00 C ATOM 3 C MET A 1 -6.731 12.915 10.490 1.00 0.00 C ATOM 4 O MET A 1 -7.267 13.050 9.406 1.00 0.00 O ATOM 5 CB MET A 1 -6.329 11.011 11.986 1.00 0.00 C ATOM 6 CG MET A 1 -6.754 10.150 13.162 1.00 0.00 C ATOM 7 SD MET A 1 -5.525 8.902 13.593 1.00 0.00 S ATOM 8 CE MET A 1 -4.116 9.915 14.066 1.00 0.00 C ATOM 0 H1 MET A 1 -9.291 11.341 11.647 1.00 0.00 H new ATOM 0 H2 MET A 1 -8.858 11.950 10.122 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.266 10.443 10.634 1.00 0.00 H new ATOM 0 HA MET A 1 -7.684 12.649 12.395 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.103 10.360 11.142 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.404 11.525 12.248 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.936 10.788 14.027 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.697 9.658 12.924 1.00 0.00 H new ATOM 0 HE1 MET A 1 -3.407 9.310 14.631 1.00 0.00 H new ATOM 0 HE2 MET A 1 -3.630 10.303 13.171 1.00 0.00 H new ATOM 0 HE3 MET A 1 -4.456 10.747 14.683 1.00 0.00 H new ATOM 20 N ALA A 2 -5.627 13.499 10.831 1.00 0.00 N ATOM 21 CA ALA A 2 -4.806 14.219 9.922 1.00 0.00 C ATOM 22 C ALA A 2 -3.442 13.660 10.151 1.00 0.00 C ATOM 23 O ALA A 2 -2.703 14.127 10.998 1.00 0.00 O ATOM 24 CB ALA A 2 -4.849 15.724 10.185 1.00 0.00 C ATOM 0 H ALA A 2 -5.263 13.485 11.784 1.00 0.00 H new ATOM 0 HA ALA A 2 -5.136 14.109 8.889 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.208 16.237 9.468 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -5.873 16.083 10.078 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -4.497 15.927 11.197 1.00 0.00 H new ATOM 30 N ARG A 3 -3.204 12.549 9.531 1.00 0.00 N ATOM 31 CA ARG A 3 -1.992 11.823 9.746 1.00 0.00 C ATOM 32 C ARG A 3 -1.049 11.964 8.579 1.00 0.00 C ATOM 33 O ARG A 3 -1.440 12.356 7.474 1.00 0.00 O ATOM 34 CB ARG A 3 -2.275 10.336 9.981 1.00 0.00 C ATOM 35 CG ARG A 3 -2.825 9.638 8.760 1.00 0.00 C ATOM 36 CD ARG A 3 -2.866 8.131 8.940 1.00 0.00 C ATOM 37 NE ARG A 3 -3.903 7.709 9.891 1.00 0.00 N ATOM 38 CZ ARG A 3 -3.766 6.700 10.771 1.00 0.00 C ATOM 39 NH1 ARG A 3 -2.724 5.872 10.685 1.00 0.00 N ATOM 40 NH2 ARG A 3 -4.715 6.470 11.679 1.00 0.00 N ATOM 0 H ARG A 3 -3.843 12.119 8.862 1.00 0.00 H new ATOM 0 HA ARG A 3 -1.524 12.248 10.634 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -1.354 9.842 10.291 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -2.985 10.233 10.802 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.830 10.006 8.553 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -2.211 9.884 7.894 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -3.047 7.657 7.975 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -1.894 7.783 9.289 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.788 8.216 9.884 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -2.028 6.003 9.951 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -2.623 5.108 11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.547 7.059 11.708 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -4.609 5.705 12.345 1.00 0.00 H new ATOM 54 N ASP A 4 0.159 11.643 8.857 1.00 0.00 N ATOM 55 CA ASP A 4 1.252 11.584 7.931 1.00 0.00 C ATOM 56 C ASP A 4 1.402 10.151 7.437 1.00 0.00 C ATOM 57 O ASP A 4 0.598 9.276 7.797 1.00 0.00 O ATOM 58 CB ASP A 4 2.506 11.955 8.681 1.00 0.00 C ATOM 59 CG ASP A 4 2.716 11.032 9.869 1.00 0.00 C ATOM 60 OD1 ASP A 4 1.904 11.080 10.839 1.00 0.00 O ATOM 61 OD2 ASP A 4 3.586 10.171 9.810 1.00 0.00 O ATOM 0 H ASP A 4 0.442 11.394 9.805 1.00 0.00 H new ATOM 0 HA ASP A 4 1.079 12.255 7.090 1.00 0.00 H new ATOM 0 HB2 ASP A 4 3.365 11.897 8.013 1.00 0.00 H new ATOM 0 HB3 ASP A 4 2.438 12.987 9.024 1.00 0.00 H new ATOM 66 N PHE A 5 2.443 9.891 6.666 1.00 0.00 N ATOM 67 CA PHE A 5 2.654 8.592 6.113 1.00 0.00 C ATOM 68 C PHE A 5 3.974 8.023 6.611 1.00 0.00 C ATOM 69 O PHE A 5 5.047 8.528 6.279 1.00 0.00 O ATOM 70 CB PHE A 5 2.651 8.684 4.602 1.00 0.00 C ATOM 71 CG PHE A 5 1.399 9.294 4.032 1.00 0.00 C ATOM 72 CD1 PHE A 5 0.239 8.567 3.970 1.00 0.00 C ATOM 73 CD2 PHE A 5 1.396 10.589 3.546 1.00 0.00 C ATOM 74 CE1 PHE A 5 -0.912 9.103 3.433 1.00 0.00 C ATOM 75 CE2 PHE A 5 0.249 11.133 2.998 1.00 0.00 C ATOM 76 CZ PHE A 5 -0.905 10.385 2.942 1.00 0.00 C ATOM 0 H PHE A 5 3.154 10.578 6.415 1.00 0.00 H new ATOM 0 HA PHE A 5 1.852 7.925 6.430 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.510 9.274 4.282 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.778 7.684 4.186 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.226 7.556 4.349 1.00 0.00 H new ATOM 0 HD2 PHE A 5 2.298 11.181 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.818 8.515 3.399 1.00 0.00 H new ATOM 0 HE2 PHE A 5 0.259 12.143 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.803 10.805 2.513 1.00 0.00 H new ATOM 86 N LYS A 6 3.881 6.985 7.399 1.00 0.00 N ATOM 87 CA LYS A 6 5.034 6.347 8.011 1.00 0.00 C ATOM 88 C LYS A 6 5.209 5.011 7.368 1.00 0.00 C ATOM 89 O LYS A 6 4.228 4.446 6.876 1.00 0.00 O ATOM 90 CB LYS A 6 4.720 6.058 9.475 1.00 0.00 C ATOM 91 CG LYS A 6 4.134 7.212 10.201 1.00 0.00 C ATOM 92 CD LYS A 6 3.446 6.773 11.466 1.00 0.00 C ATOM 93 CE LYS A 6 2.578 7.890 11.989 1.00 0.00 C ATOM 94 NZ LYS A 6 1.677 8.386 10.923 1.00 0.00 N ATOM 0 H LYS A 6 2.993 6.547 7.642 1.00 0.00 H new ATOM 0 HA LYS A 6 5.910 6.987 7.904 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.028 5.217 9.529 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.636 5.750 9.980 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.919 7.929 10.442 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.421 7.725 9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.839 5.888 11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.186 6.494 12.216 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.990 7.536 12.836 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.203 8.705 12.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.028 9.095 11.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.242 8.819 10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 1.128 7.592 10.536 1.00 0.00 H new ATOM 108 N PRO A 7 6.425 4.468 7.338 1.00 0.00 N ATOM 109 CA PRO A 7 6.608 3.087 6.944 1.00 0.00 C ATOM 110 C PRO A 7 5.858 2.228 7.959 1.00 0.00 C ATOM 111 O PRO A 7 6.186 2.228 9.147 1.00 0.00 O ATOM 112 CB PRO A 7 8.123 2.866 7.074 1.00 0.00 C ATOM 113 CG PRO A 7 8.720 4.230 7.060 1.00 0.00 C ATOM 114 CD PRO A 7 7.688 5.143 7.651 1.00 0.00 C ATOM 0 HA PRO A 7 6.248 2.845 5.944 1.00 0.00 H new ATOM 0 HB2 PRO A 7 8.366 2.339 7.997 1.00 0.00 H new ATOM 0 HB3 PRO A 7 8.505 2.261 6.252 1.00 0.00 H new ATOM 0 HG2 PRO A 7 9.642 4.257 7.640 1.00 0.00 H new ATOM 0 HG3 PRO A 7 8.973 4.534 6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 7 7.825 5.263 8.726 1.00 0.00 H new ATOM 0 HD3 PRO A 7 7.732 6.139 7.211 1.00 0.00 H new ATOM 122 N GLY A 8 4.850 1.545 7.509 1.00 0.00 N ATOM 123 CA GLY A 8 4.026 0.803 8.402 1.00 0.00 C ATOM 124 C GLY A 8 2.602 1.338 8.457 1.00 0.00 C ATOM 125 O GLY A 8 1.696 0.610 8.856 1.00 0.00 O ATOM 0 H GLY A 8 4.581 1.488 6.527 1.00 0.00 H new ATOM 0 HA2 GLY A 8 4.007 -0.242 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 8 4.461 0.831 9.401 1.00 0.00 H new ATOM 129 N ASP A 9 2.396 2.590 8.023 1.00 0.00 N ATOM 130 CA ASP A 9 1.062 3.220 8.096 1.00 0.00 C ATOM 131 C ASP A 9 0.190 2.700 6.952 1.00 0.00 C ATOM 132 O ASP A 9 0.706 2.332 5.871 1.00 0.00 O ATOM 133 CB ASP A 9 1.149 4.762 8.054 1.00 0.00 C ATOM 134 CG ASP A 9 0.054 5.454 8.879 1.00 0.00 C ATOM 135 OD1 ASP A 9 -1.141 5.186 8.661 1.00 0.00 O ATOM 136 OD2 ASP A 9 0.392 6.293 9.775 1.00 0.00 O ATOM 0 H ASP A 9 3.123 3.183 7.622 1.00 0.00 H new ATOM 0 HA ASP A 9 0.611 2.952 9.051 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.125 5.074 8.424 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.079 5.095 7.018 1.00 0.00 H new ATOM 141 N LEU A 10 -1.098 2.689 7.167 1.00 0.00 N ATOM 142 CA LEU A 10 -2.039 2.076 6.261 1.00 0.00 C ATOM 143 C LEU A 10 -2.666 3.099 5.353 1.00 0.00 C ATOM 144 O LEU A 10 -3.241 4.097 5.821 1.00 0.00 O ATOM 145 CB LEU A 10 -3.104 1.365 7.070 1.00 0.00 C ATOM 146 CG LEU A 10 -2.605 0.234 7.968 1.00 0.00 C ATOM 147 CD1 LEU A 10 -3.763 -0.434 8.690 1.00 0.00 C ATOM 148 CD2 LEU A 10 -1.804 -0.775 7.158 1.00 0.00 C ATOM 0 H LEU A 10 -1.532 3.111 7.988 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.512 1.360 5.631 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -3.614 2.101 7.692 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.846 0.959 6.383 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.945 0.659 8.724 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.383 -1.236 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.280 0.301 9.307 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -4.458 -0.847 7.959 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.456 -1.574 7.813 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.435 -1.196 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -0.946 -0.279 6.704 1.00 0.00 H new ATOM 160 N ILE A 11 -2.609 2.853 4.061 1.00 0.00 N ATOM 161 CA ILE A 11 -3.075 3.814 3.098 1.00 0.00 C ATOM 162 C ILE A 11 -3.833 3.156 1.923 1.00 0.00 C ATOM 163 O ILE A 11 -4.051 1.946 1.885 1.00 0.00 O ATOM 164 CB ILE A 11 -1.871 4.720 2.572 1.00 0.00 C ATOM 165 CG1 ILE A 11 -0.732 3.910 1.930 1.00 0.00 C ATOM 166 CG2 ILE A 11 -1.290 5.567 3.682 1.00 0.00 C ATOM 167 CD1 ILE A 11 -0.934 3.522 0.493 1.00 0.00 C ATOM 0 H ILE A 11 -2.242 1.991 3.658 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.792 4.456 3.610 1.00 0.00 H new ATOM 0 HB ILE A 11 -2.311 5.355 1.804 1.00 0.00 H new ATOM 0 HG12 ILE A 11 0.188 4.491 2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.583 3.002 2.514 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -0.473 6.171 3.289 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -2.064 6.221 4.084 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.914 4.920 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.071 2.955 0.144 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.831 2.909 0.404 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.048 4.420 -0.114 1.00 0.00 H new ATOM 179 N PHE A 12 -4.249 3.979 1.020 1.00 0.00 N ATOM 180 CA PHE A 12 -4.835 3.596 -0.226 1.00 0.00 C ATOM 181 C PHE A 12 -3.965 4.191 -1.271 1.00 0.00 C ATOM 182 O PHE A 12 -3.684 5.387 -1.228 1.00 0.00 O ATOM 183 CB PHE A 12 -6.270 4.108 -0.389 1.00 0.00 C ATOM 184 CG PHE A 12 -7.289 3.409 0.460 1.00 0.00 C ATOM 185 CD1 PHE A 12 -7.760 2.160 0.092 1.00 0.00 C ATOM 186 CD2 PHE A 12 -7.787 3.996 1.607 1.00 0.00 C ATOM 187 CE1 PHE A 12 -8.705 1.508 0.852 1.00 0.00 C ATOM 188 CE2 PHE A 12 -8.738 3.348 2.371 1.00 0.00 C ATOM 189 CZ PHE A 12 -9.196 2.102 1.992 1.00 0.00 C ATOM 0 H PHE A 12 -4.187 4.991 1.135 1.00 0.00 H new ATOM 0 HA PHE A 12 -4.900 2.510 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.290 5.172 -0.153 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -6.560 4.008 -1.435 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.381 1.691 -0.804 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.430 4.970 1.909 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -9.060 0.533 0.554 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.123 3.816 3.265 1.00 0.00 H new ATOM 0 HZ PHE A 12 -9.939 1.594 2.589 1.00 0.00 H new ATOM 199 N ALA A 13 -3.500 3.388 -2.149 1.00 0.00 N ATOM 200 CA ALA A 13 -2.568 3.819 -3.127 1.00 0.00 C ATOM 201 C ALA A 13 -3.183 3.822 -4.490 1.00 0.00 C ATOM 202 O ALA A 13 -4.039 2.989 -4.800 1.00 0.00 O ATOM 203 CB ALA A 13 -1.379 2.929 -3.086 1.00 0.00 C ATOM 0 H ALA A 13 -3.755 2.403 -2.213 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.263 4.842 -2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.656 3.253 -3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.923 2.977 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -1.684 1.904 -3.296 1.00 0.00 H new ATOM 209 N LYS A 14 -2.765 4.753 -5.292 1.00 0.00 N ATOM 210 CA LYS A 14 -3.293 4.908 -6.600 1.00 0.00 C ATOM 211 C LYS A 14 -2.197 4.702 -7.656 1.00 0.00 C ATOM 212 O LYS A 14 -1.236 5.448 -7.718 1.00 0.00 O ATOM 213 CB LYS A 14 -3.924 6.316 -6.696 1.00 0.00 C ATOM 214 CG LYS A 14 -4.726 6.617 -7.955 1.00 0.00 C ATOM 215 CD LYS A 14 -3.861 6.745 -9.189 1.00 0.00 C ATOM 216 CE LYS A 14 -4.719 6.985 -10.407 1.00 0.00 C ATOM 217 NZ LYS A 14 -5.511 5.769 -10.737 1.00 0.00 N ATOM 0 H LYS A 14 -2.041 5.429 -5.049 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.057 4.155 -6.794 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -4.576 6.457 -5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -3.126 7.054 -6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.458 5.824 -8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.284 7.542 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.157 7.567 -9.064 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.271 5.838 -9.324 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -5.390 7.825 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -4.089 7.257 -11.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.879 5.847 -11.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -4.903 4.928 -10.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -6.305 5.681 -10.071 1.00 0.00 H new ATOM 231 N MET A 15 -2.364 3.697 -8.487 1.00 0.00 N ATOM 232 CA MET A 15 -1.466 3.483 -9.624 1.00 0.00 C ATOM 233 C MET A 15 -2.179 3.716 -10.943 1.00 0.00 C ATOM 234 O MET A 15 -3.425 3.756 -11.001 1.00 0.00 O ATOM 235 CB MET A 15 -0.784 2.113 -9.633 1.00 0.00 C ATOM 236 CG MET A 15 0.169 1.902 -8.498 1.00 0.00 C ATOM 237 SD MET A 15 1.207 0.443 -8.710 1.00 0.00 S ATOM 238 CE MET A 15 -0.022 -0.862 -8.767 1.00 0.00 C ATOM 0 H MET A 15 -3.112 3.008 -8.405 1.00 0.00 H new ATOM 0 HA MET A 15 -0.675 4.222 -9.501 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.549 1.337 -9.601 1.00 0.00 H new ATOM 0 HB3 MET A 15 -0.246 1.992 -10.573 1.00 0.00 H new ATOM 0 HG2 MET A 15 0.805 2.782 -8.397 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.395 1.808 -7.570 1.00 0.00 H new ATOM 0 HE1 MET A 15 0.265 -1.662 -8.085 1.00 0.00 H new ATOM 0 HE2 MET A 15 -0.991 -0.462 -8.470 1.00 0.00 H new ATOM 0 HE3 MET A 15 -0.088 -1.256 -9.781 1.00 0.00 H new ATOM 248 N LYS A 16 -1.413 3.966 -11.981 1.00 0.00 N ATOM 249 CA LYS A 16 -1.964 4.123 -13.317 1.00 0.00 C ATOM 250 C LYS A 16 -2.514 2.772 -13.781 1.00 0.00 C ATOM 251 O LYS A 16 -1.758 1.822 -13.948 1.00 0.00 O ATOM 252 CB LYS A 16 -0.867 4.597 -14.281 1.00 0.00 C ATOM 253 CG LYS A 16 -1.333 4.770 -15.725 1.00 0.00 C ATOM 254 CD LYS A 16 -0.203 5.235 -16.642 1.00 0.00 C ATOM 255 CE LYS A 16 0.941 4.215 -16.739 1.00 0.00 C ATOM 256 NZ LYS A 16 0.490 2.897 -17.282 1.00 0.00 N ATOM 0 H LYS A 16 -0.399 4.066 -11.929 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.763 4.865 -13.304 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.470 5.547 -13.923 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.046 3.880 -14.260 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.732 3.824 -16.093 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.147 5.494 -15.758 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.603 5.422 -17.639 1.00 0.00 H new ATOM 0 HD3 LYS A 16 0.191 6.182 -16.274 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.728 4.617 -17.377 1.00 0.00 H new ATOM 0 HE3 LYS A 16 1.376 4.067 -15.751 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.317 2.291 -17.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.140 2.436 -16.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.022 3.046 -18.175 1.00 0.00 H new ATOM 270 N GLY A 17 -3.812 2.709 -14.007 1.00 0.00 N ATOM 271 CA GLY A 17 -4.453 1.452 -14.375 1.00 0.00 C ATOM 272 C GLY A 17 -5.058 0.773 -13.157 1.00 0.00 C ATOM 273 O GLY A 17 -5.710 -0.276 -13.254 1.00 0.00 O ATOM 0 H GLY A 17 -4.445 3.507 -13.944 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.231 1.639 -15.115 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -3.723 0.790 -14.840 1.00 0.00 H new ATOM 277 N TYR A 18 -4.817 1.364 -12.005 1.00 0.00 N ATOM 278 CA TYR A 18 -5.323 0.867 -10.757 1.00 0.00 C ATOM 279 C TYR A 18 -6.251 1.850 -10.074 1.00 0.00 C ATOM 280 O TYR A 18 -6.085 3.088 -10.189 1.00 0.00 O ATOM 281 CB TYR A 18 -4.177 0.515 -9.806 1.00 0.00 C ATOM 282 CG TYR A 18 -3.549 -0.818 -10.079 1.00 0.00 C ATOM 283 CD1 TYR A 18 -2.646 -1.010 -11.119 1.00 0.00 C ATOM 284 CD2 TYR A 18 -3.892 -1.905 -9.303 1.00 0.00 C ATOM 285 CE1 TYR A 18 -2.111 -2.261 -11.364 1.00 0.00 C ATOM 286 CE2 TYR A 18 -3.377 -3.142 -9.545 1.00 0.00 C ATOM 287 CZ TYR A 18 -2.493 -3.323 -10.571 1.00 0.00 C ATOM 288 OH TYR A 18 -2.010 -4.571 -10.816 1.00 0.00 O ATOM 0 H TYR A 18 -4.257 2.212 -11.915 1.00 0.00 H new ATOM 0 HA TYR A 18 -5.896 -0.030 -10.995 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -3.411 1.287 -9.874 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.551 0.527 -8.782 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -2.360 -0.174 -11.741 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.585 -1.772 -8.485 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -1.403 -2.405 -12.166 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.667 -3.979 -8.927 1.00 0.00 H new ATOM 0 HH TYR A 18 -1.070 -4.618 -10.541 1.00 0.00 H new ATOM 298 N PRO A 19 -7.262 1.321 -9.394 1.00 0.00 N ATOM 299 CA PRO A 19 -8.115 2.092 -8.518 1.00 0.00 C ATOM 300 C PRO A 19 -7.386 2.288 -7.190 1.00 0.00 C ATOM 301 O PRO A 19 -6.290 1.746 -7.010 1.00 0.00 O ATOM 302 CB PRO A 19 -9.344 1.196 -8.334 1.00 0.00 C ATOM 303 CG PRO A 19 -8.825 -0.191 -8.475 1.00 0.00 C ATOM 304 CD PRO A 19 -7.666 -0.110 -9.431 1.00 0.00 C ATOM 0 HA PRO A 19 -8.379 3.078 -8.900 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -9.803 1.350 -7.357 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -10.107 1.411 -9.082 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -8.507 -0.588 -7.511 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -9.598 -0.859 -8.856 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -6.849 -0.763 -9.123 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -7.957 -0.416 -10.436 1.00 0.00 H new ATOM 312 N HIS A 20 -7.929 3.103 -6.315 1.00 0.00 N ATOM 313 CA HIS A 20 -7.328 3.294 -5.000 1.00 0.00 C ATOM 314 C HIS A 20 -7.384 1.967 -4.253 1.00 0.00 C ATOM 315 O HIS A 20 -8.455 1.473 -3.917 1.00 0.00 O ATOM 316 CB HIS A 20 -8.039 4.420 -4.232 1.00 0.00 C ATOM 317 CG HIS A 20 -7.911 5.760 -4.903 1.00 0.00 C ATOM 318 ND1 HIS A 20 -8.794 6.244 -5.855 1.00 0.00 N ATOM 319 CD2 HIS A 20 -6.947 6.693 -4.789 1.00 0.00 C ATOM 320 CE1 HIS A 20 -8.323 7.422 -6.289 1.00 0.00 C ATOM 321 NE2 HIS A 20 -7.211 7.740 -5.673 1.00 0.00 N ATOM 0 H HIS A 20 -8.778 3.643 -6.480 1.00 0.00 H new ATOM 0 HA HIS A 20 -6.287 3.602 -5.101 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -9.095 4.171 -4.128 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -7.626 4.483 -3.225 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -6.102 6.639 -4.119 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -8.797 8.029 -7.046 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -6.652 8.582 -5.812 1.00 0.00 H new ATOM 329 N TRP A 21 -6.234 1.405 -4.054 1.00 0.00 N ATOM 330 CA TRP A 21 -6.074 0.066 -3.556 1.00 0.00 C ATOM 331 C TRP A 21 -5.514 0.117 -2.142 1.00 0.00 C ATOM 332 O TRP A 21 -4.659 0.958 -1.861 1.00 0.00 O ATOM 333 CB TRP A 21 -5.062 -0.612 -4.483 1.00 0.00 C ATOM 334 CG TRP A 21 -4.992 -2.098 -4.415 1.00 0.00 C ATOM 335 CD1 TRP A 21 -4.443 -2.870 -3.436 1.00 0.00 C ATOM 336 CD2 TRP A 21 -5.447 -2.993 -5.419 1.00 0.00 C ATOM 337 NE1 TRP A 21 -4.568 -4.190 -3.765 1.00 0.00 N ATOM 338 CE2 TRP A 21 -5.171 -4.289 -4.978 1.00 0.00 C ATOM 339 CE3 TRP A 21 -6.075 -2.817 -6.647 1.00 0.00 C ATOM 340 CZ2 TRP A 21 -5.496 -5.403 -5.721 1.00 0.00 C ATOM 341 CZ3 TRP A 21 -6.395 -3.928 -7.389 1.00 0.00 C ATOM 342 CH2 TRP A 21 -6.106 -5.210 -6.921 1.00 0.00 C ATOM 0 H TRP A 21 -5.349 1.877 -4.238 1.00 0.00 H new ATOM 0 HA TRP A 21 -7.021 -0.473 -3.532 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -5.295 -0.328 -5.509 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -4.073 -0.213 -4.259 1.00 0.00 H new ATOM 0 HD1 TRP A 21 -3.979 -2.495 -2.536 1.00 0.00 H new ATOM 0 HE1 TRP A 21 -4.258 -4.975 -3.192 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -6.307 -1.827 -7.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -5.274 -6.397 -5.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -6.877 -3.807 -8.348 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -6.372 -6.066 -7.523 1.00 0.00 H new ATOM 353 N PRO A 22 -5.983 -0.750 -1.231 1.00 0.00 N ATOM 354 CA PRO A 22 -5.457 -0.804 0.125 1.00 0.00 C ATOM 355 C PRO A 22 -4.003 -1.271 0.108 1.00 0.00 C ATOM 356 O PRO A 22 -3.687 -2.390 -0.331 1.00 0.00 O ATOM 357 CB PRO A 22 -6.356 -1.832 0.834 1.00 0.00 C ATOM 358 CG PRO A 22 -6.959 -2.644 -0.262 1.00 0.00 C ATOM 359 CD PRO A 22 -7.043 -1.744 -1.461 1.00 0.00 C ATOM 0 HA PRO A 22 -5.464 0.165 0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.779 -2.457 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -7.125 -1.339 1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -6.348 -3.521 -0.477 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -7.947 -3.006 0.022 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -6.880 -2.295 -2.387 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.023 -1.273 -1.539 1.00 0.00 H new ATOM 367 N ALA A 23 -3.134 -0.429 0.567 1.00 0.00 N ATOM 368 CA ALA A 23 -1.745 -0.685 0.531 1.00 0.00 C ATOM 369 C ALA A 23 -1.098 -0.079 1.747 1.00 0.00 C ATOM 370 O ALA A 23 -1.721 0.683 2.476 1.00 0.00 O ATOM 371 CB ALA A 23 -1.162 -0.111 -0.742 1.00 0.00 C ATOM 0 H ALA A 23 -3.382 0.469 0.983 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.558 -1.759 0.540 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -0.090 -0.307 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.641 -0.577 -1.604 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.335 0.965 -0.768 1.00 0.00 H new ATOM 377 N ARG A 24 0.099 -0.430 1.996 1.00 0.00 N ATOM 378 CA ARG A 24 0.790 0.097 3.134 1.00 0.00 C ATOM 379 C ARG A 24 2.042 0.779 2.677 1.00 0.00 C ATOM 380 O ARG A 24 2.615 0.396 1.649 1.00 0.00 O ATOM 381 CB ARG A 24 1.174 -1.039 4.069 1.00 0.00 C ATOM 382 CG ARG A 24 1.852 -0.601 5.347 1.00 0.00 C ATOM 383 CD ARG A 24 2.480 -1.761 6.068 1.00 0.00 C ATOM 384 NE ARG A 24 3.573 -2.370 5.287 1.00 0.00 N ATOM 385 CZ ARG A 24 4.791 -2.675 5.760 1.00 0.00 C ATOM 386 NH1 ARG A 24 5.130 -2.386 7.019 1.00 0.00 N ATOM 387 NH2 ARG A 24 5.683 -3.226 4.971 1.00 0.00 N ATOM 0 H ARG A 24 0.639 -1.085 1.431 1.00 0.00 H new ATOM 0 HA ARG A 24 0.141 0.803 3.653 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.276 -1.601 4.324 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.837 -1.721 3.537 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.616 0.142 5.118 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.124 -0.118 5.999 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.866 -1.424 7.030 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.719 -2.514 6.276 1.00 0.00 H new ATOM 0 HE ARG A 24 3.387 -2.577 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.459 -1.927 7.635 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.060 -2.624 7.364 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.451 -3.423 3.997 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.609 -3.458 5.331 1.00 0.00 H new ATOM 401 N VAL A 25 2.454 1.797 3.392 1.00 0.00 N ATOM 402 CA VAL A 25 3.752 2.352 3.164 1.00 0.00 C ATOM 403 C VAL A 25 4.719 1.315 3.726 1.00 0.00 C ATOM 404 O VAL A 25 4.629 0.964 4.900 1.00 0.00 O ATOM 405 CB VAL A 25 3.939 3.711 3.880 1.00 0.00 C ATOM 406 CG1 VAL A 25 5.310 4.304 3.572 1.00 0.00 C ATOM 407 CG2 VAL A 25 2.836 4.684 3.482 1.00 0.00 C ATOM 0 H VAL A 25 1.911 2.249 4.128 1.00 0.00 H new ATOM 0 HA VAL A 25 3.915 2.555 2.106 1.00 0.00 H new ATOM 0 HB VAL A 25 3.876 3.538 4.954 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.417 5.259 4.087 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.087 3.619 3.912 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.407 4.458 2.497 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.985 5.633 3.996 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.865 4.846 2.405 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.867 4.269 3.760 1.00 0.00 H new ATOM 417 N ASP A 26 5.584 0.818 2.905 1.00 0.00 N ATOM 418 CA ASP A 26 6.427 -0.318 3.261 1.00 0.00 C ATOM 419 C ASP A 26 7.652 0.172 4.026 1.00 0.00 C ATOM 420 O ASP A 26 7.878 1.388 4.126 1.00 0.00 O ATOM 421 CB ASP A 26 6.839 -1.063 1.981 1.00 0.00 C ATOM 422 CG ASP A 26 7.398 -2.439 2.231 1.00 0.00 C ATOM 423 OD1 ASP A 26 6.616 -3.387 2.522 1.00 0.00 O ATOM 424 OD2 ASP A 26 8.619 -2.614 2.171 1.00 0.00 O ATOM 0 H ASP A 26 5.741 1.176 1.963 1.00 0.00 H new ATOM 0 HA ASP A 26 5.876 -1.005 3.903 1.00 0.00 H new ATOM 0 HB2 ASP A 26 5.972 -1.147 1.326 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.583 -0.470 1.450 1.00 0.00 H new ATOM 429 N GLU A 27 8.441 -0.733 4.555 1.00 0.00 N ATOM 430 CA GLU A 27 9.569 -0.335 5.341 1.00 0.00 C ATOM 431 C GLU A 27 10.873 -0.520 4.588 1.00 0.00 C ATOM 432 O GLU A 27 11.162 -1.593 4.054 1.00 0.00 O ATOM 433 CB GLU A 27 9.611 -0.935 6.787 1.00 0.00 C ATOM 434 CG GLU A 27 9.702 -2.471 6.948 1.00 0.00 C ATOM 435 CD GLU A 27 8.396 -3.217 6.754 1.00 0.00 C ATOM 436 OE1 GLU A 27 7.572 -3.305 7.711 1.00 0.00 O ATOM 437 OE2 GLU A 27 8.166 -3.771 5.681 1.00 0.00 O ATOM 0 H GLU A 27 8.319 -1.741 4.453 1.00 0.00 H new ATOM 0 HA GLU A 27 9.435 0.734 5.508 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.465 -0.497 7.303 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.716 -0.599 7.311 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.430 -2.853 6.233 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.086 -2.694 7.944 1.00 0.00 H new ATOM 444 N VAL A 28 11.635 0.551 4.542 1.00 0.00 N ATOM 445 CA VAL A 28 12.888 0.606 3.821 1.00 0.00 C ATOM 446 C VAL A 28 13.974 -0.101 4.594 1.00 0.00 C ATOM 447 O VAL A 28 14.167 0.161 5.786 1.00 0.00 O ATOM 448 CB VAL A 28 13.315 2.073 3.562 1.00 0.00 C ATOM 449 CG1 VAL A 28 14.619 2.161 2.769 1.00 0.00 C ATOM 450 CG2 VAL A 28 12.218 2.791 2.842 1.00 0.00 C ATOM 0 H VAL A 28 11.397 1.424 5.013 1.00 0.00 H new ATOM 0 HA VAL A 28 12.741 0.106 2.863 1.00 0.00 H new ATOM 0 HB VAL A 28 13.496 2.547 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 28 14.879 3.208 2.611 1.00 0.00 H new ATOM 0 HG12 VAL A 28 15.417 1.669 3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 28 14.492 1.669 1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.517 3.823 2.659 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.022 2.296 1.891 1.00 0.00 H new ATOM 0 HG23 VAL A 28 11.314 2.778 3.451 1.00 0.00 H new ATOM 460 N PRO A 29 14.670 -1.025 3.947 1.00 0.00 N ATOM 461 CA PRO A 29 15.749 -1.731 4.573 1.00 0.00 C ATOM 462 C PRO A 29 16.982 -0.871 4.760 1.00 0.00 C ATOM 463 O PRO A 29 17.235 0.059 3.980 1.00 0.00 O ATOM 464 CB PRO A 29 16.088 -2.861 3.609 1.00 0.00 C ATOM 465 CG PRO A 29 15.526 -2.457 2.290 1.00 0.00 C ATOM 466 CD PRO A 29 14.423 -1.476 2.563 1.00 0.00 C ATOM 0 HA PRO A 29 15.451 -2.066 5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 29 17.166 -3.009 3.545 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.656 -3.804 3.945 1.00 0.00 H new ATOM 0 HG2 PRO A 29 16.297 -2.006 1.665 1.00 0.00 H new ATOM 0 HG3 PRO A 29 15.145 -3.325 1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 29 14.450 -0.642 1.862 1.00 0.00 H new ATOM 0 HD3 PRO A 29 13.443 -1.942 2.466 1.00 0.00 H new ATOM 474 N ASP A 30 17.753 -1.191 5.770 1.00 0.00 N ATOM 475 CA ASP A 30 19.027 -0.545 5.956 1.00 0.00 C ATOM 476 C ASP A 30 19.965 -1.037 4.872 1.00 0.00 C ATOM 477 O ASP A 30 19.782 -2.145 4.323 1.00 0.00 O ATOM 478 CB ASP A 30 19.610 -0.807 7.348 1.00 0.00 C ATOM 479 CG ASP A 30 20.975 -0.158 7.522 1.00 0.00 C ATOM 480 OD1 ASP A 30 21.135 1.013 7.095 1.00 0.00 O ATOM 481 OD2 ASP A 30 21.890 -0.830 8.014 1.00 0.00 O ATOM 0 H ASP A 30 17.521 -1.893 6.473 1.00 0.00 H new ATOM 0 HA ASP A 30 18.895 0.535 5.882 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.927 -0.424 8.106 1.00 0.00 H new ATOM 0 HB3 ASP A 30 19.696 -1.882 7.510 1.00 0.00 H new ATOM 486 N GLY A 31 20.899 -0.225 4.507 1.00 0.00 N ATOM 487 CA GLY A 31 21.775 -0.564 3.436 1.00 0.00 C ATOM 488 C GLY A 31 21.200 -0.128 2.102 1.00 0.00 C ATOM 489 O GLY A 31 21.849 -0.275 1.027 1.00 0.00 O ATOM 0 H GLY A 31 21.076 0.683 4.937 1.00 0.00 H new ATOM 0 HA2 GLY A 31 22.744 -0.089 3.590 1.00 0.00 H new ATOM 0 HA3 GLY A 31 21.945 -1.641 3.428 1.00 0.00 H new ATOM 493 N ALA A 32 19.959 0.344 2.118 1.00 0.00 N ATOM 494 CA ALA A 32 19.360 0.907 0.938 1.00 0.00 C ATOM 495 C ALA A 32 19.892 2.307 0.672 1.00 0.00 C ATOM 496 O ALA A 32 19.313 3.295 1.053 1.00 0.00 O ATOM 497 CB ALA A 32 17.853 0.888 0.998 1.00 0.00 C ATOM 0 H ALA A 32 19.356 0.343 2.941 1.00 0.00 H new ATOM 0 HA ALA A 32 19.645 0.274 0.098 1.00 0.00 H new ATOM 0 HB1 ALA A 32 17.447 1.323 0.085 1.00 0.00 H new ATOM 0 HB2 ALA A 32 17.506 -0.141 1.095 1.00 0.00 H new ATOM 0 HB3 ALA A 32 17.516 1.468 1.857 1.00 0.00 H new ATOM 503 N VAL A 33 21.059 2.335 0.084 1.00 0.00 N ATOM 504 CA VAL A 33 21.728 3.566 -0.326 1.00 0.00 C ATOM 505 C VAL A 33 21.489 3.804 -1.807 1.00 0.00 C ATOM 506 O VAL A 33 22.091 4.665 -2.432 1.00 0.00 O ATOM 507 CB VAL A 33 23.248 3.472 -0.066 1.00 0.00 C ATOM 508 CG1 VAL A 33 23.524 3.347 1.425 1.00 0.00 C ATOM 509 CG2 VAL A 33 23.862 2.288 -0.820 1.00 0.00 C ATOM 0 H VAL A 33 21.591 1.492 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 33 21.321 4.393 0.256 1.00 0.00 H new ATOM 0 HB VAL A 33 23.711 4.387 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 33 24.599 3.282 1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 33 23.129 4.221 1.943 1.00 0.00 H new ATOM 0 HG13 VAL A 33 23.042 2.448 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 33 24.933 2.245 -0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 33 23.393 1.362 -0.487 1.00 0.00 H new ATOM 0 HG23 VAL A 33 23.698 2.414 -1.890 1.00 0.00 H new ATOM 519 N LYS A 34 20.621 2.997 -2.341 1.00 0.00 N ATOM 520 CA LYS A 34 20.245 3.055 -3.718 1.00 0.00 C ATOM 521 C LYS A 34 19.246 4.192 -3.878 1.00 0.00 C ATOM 522 O LYS A 34 18.403 4.384 -2.998 1.00 0.00 O ATOM 523 CB LYS A 34 19.606 1.717 -4.174 1.00 0.00 C ATOM 524 CG LYS A 34 20.487 0.452 -4.032 1.00 0.00 C ATOM 525 CD LYS A 34 20.609 -0.063 -2.588 1.00 0.00 C ATOM 526 CE LYS A 34 21.493 -1.310 -2.513 1.00 0.00 C ATOM 527 NZ LYS A 34 21.543 -1.896 -1.137 1.00 0.00 N ATOM 0 H LYS A 34 20.145 2.263 -1.817 1.00 0.00 H new ATOM 0 HA LYS A 34 21.126 3.226 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 34 18.691 1.563 -3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 34 19.315 1.816 -5.220 1.00 0.00 H new ATOM 0 HG2 LYS A 34 20.072 -0.340 -4.656 1.00 0.00 H new ATOM 0 HG3 LYS A 34 21.484 0.670 -4.415 1.00 0.00 H new ATOM 0 HD2 LYS A 34 21.027 0.720 -1.955 1.00 0.00 H new ATOM 0 HD3 LYS A 34 19.618 -0.294 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 34 21.118 -2.059 -3.210 1.00 0.00 H new ATOM 0 HE3 LYS A 34 22.503 -1.055 -2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 22.181 -2.717 -1.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 21.894 -1.181 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 20.589 -2.197 -0.853 1.00 0.00 H new ATOM 541 N PRO A 35 19.330 4.970 -4.967 1.00 0.00 N ATOM 542 CA PRO A 35 18.442 6.110 -5.167 1.00 0.00 C ATOM 543 C PRO A 35 16.969 5.691 -5.298 1.00 0.00 C ATOM 544 O PRO A 35 16.634 4.755 -6.032 1.00 0.00 O ATOM 545 CB PRO A 35 18.937 6.736 -6.480 1.00 0.00 C ATOM 546 CG PRO A 35 19.684 5.647 -7.169 1.00 0.00 C ATOM 547 CD PRO A 35 20.281 4.805 -6.081 1.00 0.00 C ATOM 0 HA PRO A 35 18.471 6.794 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 35 18.104 7.089 -7.088 1.00 0.00 H new ATOM 0 HB3 PRO A 35 19.579 7.596 -6.290 1.00 0.00 H new ATOM 0 HG2 PRO A 35 19.020 5.056 -7.800 1.00 0.00 H new ATOM 0 HG3 PRO A 35 20.460 6.055 -7.817 1.00 0.00 H new ATOM 0 HD2 PRO A 35 20.371 3.761 -6.383 1.00 0.00 H new ATOM 0 HD3 PRO A 35 21.281 5.146 -5.811 1.00 0.00 H new ATOM 555 N PRO A 36 16.075 6.382 -4.590 1.00 0.00 N ATOM 556 CA PRO A 36 14.666 6.102 -4.640 1.00 0.00 C ATOM 557 C PRO A 36 13.963 6.919 -5.720 1.00 0.00 C ATOM 558 O PRO A 36 14.538 7.839 -6.305 1.00 0.00 O ATOM 559 CB PRO A 36 14.191 6.534 -3.251 1.00 0.00 C ATOM 560 CG PRO A 36 15.098 7.660 -2.866 1.00 0.00 C ATOM 561 CD PRO A 36 16.383 7.479 -3.647 1.00 0.00 C ATOM 0 HA PRO A 36 14.451 5.061 -4.881 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.150 6.855 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 36 14.257 5.712 -2.538 1.00 0.00 H new ATOM 0 HG2 PRO A 36 14.639 8.621 -3.096 1.00 0.00 H new ATOM 0 HG3 PRO A 36 15.293 7.649 -1.794 1.00 0.00 H new ATOM 0 HD2 PRO A 36 16.662 8.392 -4.173 1.00 0.00 H new ATOM 0 HD3 PRO A 36 17.215 7.221 -2.992 1.00 0.00 H new ATOM 569 N THR A 37 12.715 6.604 -5.949 1.00 0.00 N ATOM 570 CA THR A 37 11.886 7.287 -6.919 1.00 0.00 C ATOM 571 C THR A 37 11.405 8.662 -6.358 1.00 0.00 C ATOM 572 O THR A 37 10.587 9.350 -6.968 1.00 0.00 O ATOM 573 CB THR A 37 10.681 6.383 -7.209 1.00 0.00 C ATOM 574 OG1 THR A 37 11.162 5.037 -7.355 1.00 0.00 O ATOM 575 CG2 THR A 37 9.965 6.795 -8.490 1.00 0.00 C ATOM 0 H THR A 37 12.233 5.851 -5.459 1.00 0.00 H new ATOM 0 HA THR A 37 12.451 7.483 -7.831 1.00 0.00 H new ATOM 0 HB THR A 37 9.971 6.467 -6.387 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.642 4.440 -6.777 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.117 6.132 -8.662 1.00 0.00 H new ATOM 0 HG22 THR A 37 9.610 7.821 -8.394 1.00 0.00 H new ATOM 0 HG23 THR A 37 10.655 6.727 -9.331 1.00 0.00 H new ATOM 583 N ASN A 38 11.951 9.032 -5.185 1.00 0.00 N ATOM 584 CA ASN A 38 11.642 10.292 -4.468 1.00 0.00 C ATOM 585 C ASN A 38 10.234 10.263 -3.914 1.00 0.00 C ATOM 586 O ASN A 38 9.656 11.285 -3.570 1.00 0.00 O ATOM 587 CB ASN A 38 11.865 11.547 -5.348 1.00 0.00 C ATOM 588 CG ASN A 38 13.297 11.694 -5.834 1.00 0.00 C ATOM 589 OD1 ASN A 38 14.138 12.272 -5.164 1.00 0.00 O ATOM 590 ND2 ASN A 38 13.575 11.187 -7.015 1.00 0.00 N ATOM 0 H ASN A 38 12.634 8.454 -4.695 1.00 0.00 H new ATOM 0 HA ASN A 38 12.343 10.364 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.199 11.501 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 38 11.589 12.435 -4.779 1.00 0.00 H new ATOM 0 HD21 ASN A 38 14.517 11.271 -7.397 1.00 0.00 H new ATOM 0 HD22 ASN A 38 12.849 10.710 -7.549 1.00 0.00 H new ATOM 597 N LYS A 39 9.706 9.072 -3.794 1.00 0.00 N ATOM 598 CA LYS A 39 8.384 8.868 -3.286 1.00 0.00 C ATOM 599 C LYS A 39 8.402 7.823 -2.181 1.00 0.00 C ATOM 600 O LYS A 39 9.453 7.229 -1.905 1.00 0.00 O ATOM 601 CB LYS A 39 7.425 8.453 -4.404 1.00 0.00 C ATOM 602 CG LYS A 39 7.163 9.524 -5.456 1.00 0.00 C ATOM 603 CD LYS A 39 6.037 9.094 -6.375 1.00 0.00 C ATOM 604 CE LYS A 39 5.619 10.193 -7.326 1.00 0.00 C ATOM 605 NZ LYS A 39 4.360 9.843 -8.044 1.00 0.00 N ATOM 0 H LYS A 39 10.191 8.212 -4.050 1.00 0.00 H new ATOM 0 HA LYS A 39 8.027 9.811 -2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 39 7.828 7.569 -4.899 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.474 8.163 -3.958 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.906 10.465 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 39 8.068 9.702 -6.037 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.352 8.222 -6.948 1.00 0.00 H new ATOM 0 HD3 LYS A 39 5.179 8.789 -5.776 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.477 11.121 -6.772 1.00 0.00 H new ATOM 0 HE3 LYS A 39 6.414 10.372 -8.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.128 10.594 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.488 8.944 -8.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.584 9.747 -7.358 1.00 0.00 H new ATOM 619 N LEU A 40 7.255 7.586 -1.586 1.00 0.00 N ATOM 620 CA LEU A 40 7.120 6.658 -0.480 1.00 0.00 C ATOM 621 C LEU A 40 6.956 5.236 -1.021 1.00 0.00 C ATOM 622 O LEU A 40 6.292 5.035 -2.050 1.00 0.00 O ATOM 623 CB LEU A 40 5.897 7.047 0.384 1.00 0.00 C ATOM 624 CG LEU A 40 5.969 8.406 1.119 1.00 0.00 C ATOM 625 CD1 LEU A 40 4.606 8.802 1.630 1.00 0.00 C ATOM 626 CD2 LEU A 40 6.936 8.343 2.293 1.00 0.00 C ATOM 0 H LEU A 40 6.380 8.035 -1.857 1.00 0.00 H new ATOM 0 HA LEU A 40 8.015 6.700 0.141 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.016 7.053 -0.257 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.744 6.265 1.128 1.00 0.00 H new ATOM 0 HG LEU A 40 6.324 9.147 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.675 9.760 2.145 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.914 8.889 0.792 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.243 8.043 2.323 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.967 9.312 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.602 7.582 2.999 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.932 8.090 1.931 1.00 0.00 H new ATOM 638 N PRO A 41 7.578 4.243 -0.367 1.00 0.00 N ATOM 639 CA PRO A 41 7.469 2.843 -0.780 1.00 0.00 C ATOM 640 C PRO A 41 6.081 2.300 -0.442 1.00 0.00 C ATOM 641 O PRO A 41 5.645 2.369 0.698 1.00 0.00 O ATOM 642 CB PRO A 41 8.545 2.143 0.065 1.00 0.00 C ATOM 643 CG PRO A 41 8.664 2.985 1.291 1.00 0.00 C ATOM 644 CD PRO A 41 8.419 4.402 0.843 1.00 0.00 C ATOM 0 HA PRO A 41 7.605 2.695 -1.851 1.00 0.00 H new ATOM 0 HB2 PRO A 41 8.254 1.122 0.312 1.00 0.00 H new ATOM 0 HB3 PRO A 41 9.493 2.084 -0.469 1.00 0.00 H new ATOM 0 HG2 PRO A 41 7.937 2.682 2.045 1.00 0.00 H new ATOM 0 HG3 PRO A 41 9.651 2.883 1.741 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.910 4.983 1.612 1.00 0.00 H new ATOM 0 HD3 PRO A 41 9.352 4.919 0.618 1.00 0.00 H new ATOM 652 N ILE A 42 5.386 1.795 -1.412 1.00 0.00 N ATOM 653 CA ILE A 42 4.038 1.328 -1.199 1.00 0.00 C ATOM 654 C ILE A 42 3.926 -0.144 -1.552 1.00 0.00 C ATOM 655 O ILE A 42 4.222 -0.539 -2.662 1.00 0.00 O ATOM 656 CB ILE A 42 3.016 2.123 -2.059 1.00 0.00 C ATOM 657 CG1 ILE A 42 3.123 3.644 -1.818 1.00 0.00 C ATOM 658 CG2 ILE A 42 1.600 1.639 -1.796 1.00 0.00 C ATOM 659 CD1 ILE A 42 2.929 4.075 -0.379 1.00 0.00 C ATOM 0 H ILE A 42 5.726 1.692 -2.368 1.00 0.00 H new ATOM 0 HA ILE A 42 3.808 1.480 -0.144 1.00 0.00 H new ATOM 0 HB ILE A 42 3.259 1.939 -3.105 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.103 3.983 -2.155 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.381 4.149 -2.437 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.901 2.209 -2.408 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.524 0.581 -2.048 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.357 1.779 -0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.022 5.159 -0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.939 3.773 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 42 3.687 3.604 0.247 1.00 0.00 H new ATOM 671 N PHE A 43 3.491 -0.926 -0.622 1.00 0.00 N ATOM 672 CA PHE A 43 3.295 -2.338 -0.840 1.00 0.00 C ATOM 673 C PHE A 43 1.811 -2.609 -0.940 1.00 0.00 C ATOM 674 O PHE A 43 1.057 -2.318 0.000 1.00 0.00 O ATOM 675 CB PHE A 43 3.920 -3.178 0.292 1.00 0.00 C ATOM 676 CG PHE A 43 3.766 -4.674 0.100 1.00 0.00 C ATOM 677 CD1 PHE A 43 4.674 -5.385 -0.667 1.00 0.00 C ATOM 678 CD2 PHE A 43 2.706 -5.359 0.678 1.00 0.00 C ATOM 679 CE1 PHE A 43 4.530 -6.747 -0.850 1.00 0.00 C ATOM 680 CE2 PHE A 43 2.555 -6.717 0.496 1.00 0.00 C ATOM 681 CZ PHE A 43 3.466 -7.413 -0.267 1.00 0.00 C ATOM 0 H PHE A 43 3.257 -0.611 0.320 1.00 0.00 H new ATOM 0 HA PHE A 43 3.793 -2.626 -1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.981 -2.938 0.367 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.461 -2.893 1.239 1.00 0.00 H new ATOM 0 HD1 PHE A 43 5.504 -4.869 -1.127 1.00 0.00 H new ATOM 0 HD2 PHE A 43 1.989 -4.820 1.279 1.00 0.00 H new ATOM 0 HE1 PHE A 43 5.247 -7.291 -1.447 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.723 -7.234 0.951 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.350 -8.477 -0.410 1.00 0.00 H new ATOM 691 N PHE A 44 1.396 -3.116 -2.068 1.00 0.00 N ATOM 692 CA PHE A 44 -0.013 -3.439 -2.306 1.00 0.00 C ATOM 693 C PHE A 44 -0.388 -4.793 -1.752 1.00 0.00 C ATOM 694 O PHE A 44 0.297 -5.799 -1.990 1.00 0.00 O ATOM 695 CB PHE A 44 -0.361 -3.373 -3.789 1.00 0.00 C ATOM 696 CG PHE A 44 -0.307 -1.994 -4.338 1.00 0.00 C ATOM 697 CD1 PHE A 44 0.889 -1.435 -4.712 1.00 0.00 C ATOM 698 CD2 PHE A 44 -1.457 -1.246 -4.458 1.00 0.00 C ATOM 699 CE1 PHE A 44 0.937 -0.163 -5.194 1.00 0.00 C ATOM 700 CE2 PHE A 44 -1.413 0.033 -4.939 1.00 0.00 C ATOM 701 CZ PHE A 44 -0.211 0.576 -5.309 1.00 0.00 C ATOM 0 H PHE A 44 2.010 -3.322 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.593 -2.683 -1.776 1.00 0.00 H new ATOM 0 HB2 PHE A 44 0.328 -4.007 -4.347 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.361 -3.779 -3.940 1.00 0.00 H new ATOM 0 HD1 PHE A 44 1.800 -2.009 -4.623 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.405 -1.675 -4.169 1.00 0.00 H new ATOM 0 HE1 PHE A 44 1.884 0.266 -5.487 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.321 0.612 -5.027 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.168 1.585 -5.691 1.00 0.00 H new ATOM 711 N PHE A 45 -1.477 -4.828 -1.038 1.00 0.00 N ATOM 712 CA PHE A 45 -1.948 -6.048 -0.453 1.00 0.00 C ATOM 713 C PHE A 45 -2.785 -6.829 -1.456 1.00 0.00 C ATOM 714 O PHE A 45 -3.350 -6.257 -2.383 1.00 0.00 O ATOM 715 CB PHE A 45 -2.762 -5.770 0.803 1.00 0.00 C ATOM 716 CG PHE A 45 -2.005 -5.093 1.895 1.00 0.00 C ATOM 717 CD1 PHE A 45 -0.876 -5.673 2.420 1.00 0.00 C ATOM 718 CD2 PHE A 45 -2.440 -3.893 2.416 1.00 0.00 C ATOM 719 CE1 PHE A 45 -0.191 -5.076 3.444 1.00 0.00 C ATOM 720 CE2 PHE A 45 -1.753 -3.287 3.442 1.00 0.00 C ATOM 721 CZ PHE A 45 -0.626 -3.886 3.956 1.00 0.00 C ATOM 0 H PHE A 45 -2.061 -4.014 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.080 -6.646 -0.175 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.619 -5.152 0.535 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.155 -6.713 1.182 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.524 -6.612 2.020 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -3.327 -3.425 2.015 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.694 -5.546 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.097 -2.345 3.843 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.085 -3.416 4.764 1.00 0.00 H new ATOM 731 N GLY A 46 -2.837 -8.123 -1.270 1.00 0.00 N ATOM 732 CA GLY A 46 -3.589 -9.043 -2.116 1.00 0.00 C ATOM 733 C GLY A 46 -2.978 -9.301 -3.488 1.00 0.00 C ATOM 734 O GLY A 46 -3.257 -10.329 -4.105 1.00 0.00 O ATOM 0 H GLY A 46 -2.347 -8.589 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.688 -9.995 -1.594 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -4.596 -8.648 -2.252 1.00 0.00 H new ATOM 738 N THR A 47 -2.134 -8.419 -3.959 1.00 0.00 N ATOM 739 CA THR A 47 -1.417 -8.676 -5.184 1.00 0.00 C ATOM 740 C THR A 47 0.059 -8.761 -4.899 1.00 0.00 C ATOM 741 O THR A 47 0.808 -9.417 -5.616 1.00 0.00 O ATOM 742 CB THR A 47 -1.690 -7.588 -6.228 1.00 0.00 C ATOM 743 OG1 THR A 47 -1.510 -6.293 -5.629 1.00 0.00 O ATOM 744 CG2 THR A 47 -3.093 -7.710 -6.789 1.00 0.00 C ATOM 0 H THR A 47 -1.927 -7.523 -3.518 1.00 0.00 H new ATOM 0 HA THR A 47 -1.765 -9.625 -5.592 1.00 0.00 H new ATOM 0 HB THR A 47 -0.986 -7.712 -7.051 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.378 -5.623 -6.332 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.259 -6.925 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.212 -8.685 -7.262 1.00 0.00 H new ATOM 0 HG23 THR A 47 -3.818 -7.608 -5.981 1.00 0.00 H new ATOM 752 N HIS A 48 0.454 -8.138 -3.781 1.00 0.00 N ATOM 753 CA HIS A 48 1.825 -8.160 -3.275 1.00 0.00 C ATOM 754 C HIS A 48 2.761 -7.361 -4.163 1.00 0.00 C ATOM 755 O HIS A 48 3.975 -7.550 -4.135 1.00 0.00 O ATOM 756 CB HIS A 48 2.331 -9.606 -3.028 1.00 0.00 C ATOM 757 CG HIS A 48 1.549 -10.337 -1.969 1.00 0.00 C ATOM 758 ND1 HIS A 48 1.740 -11.669 -1.656 1.00 0.00 N ATOM 759 CD2 HIS A 48 0.579 -9.900 -1.129 1.00 0.00 C ATOM 760 CE1 HIS A 48 0.918 -12.002 -0.665 1.00 0.00 C ATOM 761 NE2 HIS A 48 0.220 -10.950 -0.340 1.00 0.00 N ATOM 0 H HIS A 48 -0.183 -7.597 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 48 1.819 -7.668 -2.302 1.00 0.00 H new ATOM 0 HB2 HIS A 48 2.278 -10.167 -3.961 1.00 0.00 H new ATOM 0 HB3 HIS A 48 3.381 -9.572 -2.736 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.167 -8.902 -1.092 1.00 0.00 H new ATOM 0 HE1 HIS A 48 0.842 -12.977 -0.208 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -0.488 -10.918 0.394 1.00 0.00 H new ATOM 770 N GLU A 49 2.181 -6.432 -4.902 1.00 0.00 N ATOM 771 CA GLU A 49 2.915 -5.533 -5.760 1.00 0.00 C ATOM 772 C GLU A 49 3.564 -4.468 -4.906 1.00 0.00 C ATOM 773 O GLU A 49 3.169 -4.248 -3.767 1.00 0.00 O ATOM 774 CB GLU A 49 1.957 -4.865 -6.733 1.00 0.00 C ATOM 775 CG GLU A 49 1.240 -5.825 -7.657 1.00 0.00 C ATOM 776 CD GLU A 49 0.130 -5.156 -8.428 1.00 0.00 C ATOM 777 OE1 GLU A 49 -0.939 -4.925 -7.831 1.00 0.00 O ATOM 778 OE2 GLU A 49 0.311 -4.859 -9.627 1.00 0.00 O ATOM 0 H GLU A 49 1.172 -6.283 -4.920 1.00 0.00 H new ATOM 0 HA GLU A 49 3.672 -6.089 -6.314 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.215 -4.302 -6.166 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.512 -4.145 -7.335 1.00 0.00 H new ATOM 0 HG2 GLU A 49 1.956 -6.256 -8.356 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.829 -6.649 -7.073 1.00 0.00 H new ATOM 785 N THR A 50 4.540 -3.822 -5.422 1.00 0.00 N ATOM 786 CA THR A 50 5.182 -2.773 -4.699 1.00 0.00 C ATOM 787 C THR A 50 5.403 -1.611 -5.640 1.00 0.00 C ATOM 788 O THR A 50 5.764 -1.801 -6.799 1.00 0.00 O ATOM 789 CB THR A 50 6.520 -3.226 -4.112 1.00 0.00 C ATOM 790 OG1 THR A 50 6.365 -4.536 -3.539 1.00 0.00 O ATOM 791 CG2 THR A 50 6.970 -2.273 -3.013 1.00 0.00 C ATOM 0 H THR A 50 4.921 -3.998 -6.352 1.00 0.00 H new ATOM 0 HA THR A 50 4.544 -2.479 -3.866 1.00 0.00 H new ATOM 0 HB THR A 50 7.263 -3.238 -4.909 1.00 0.00 H new ATOM 0 HG1 THR A 50 7.220 -4.832 -3.163 1.00 0.00 H new ATOM 0 HG21 THR A 50 7.923 -2.610 -2.607 1.00 0.00 H new ATOM 0 HG22 THR A 50 7.086 -1.271 -3.425 1.00 0.00 H new ATOM 0 HG23 THR A 50 6.223 -2.255 -2.219 1.00 0.00 H new ATOM 799 N ALA A 51 5.164 -0.451 -5.149 1.00 0.00 N ATOM 800 CA ALA A 51 5.267 0.761 -5.923 1.00 0.00 C ATOM 801 C ALA A 51 5.881 1.870 -5.110 1.00 0.00 C ATOM 802 O ALA A 51 6.237 1.677 -3.950 1.00 0.00 O ATOM 803 CB ALA A 51 3.893 1.195 -6.364 1.00 0.00 C ATOM 0 H ALA A 51 4.885 -0.299 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 51 5.901 0.559 -6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 51 3.971 2.111 -6.949 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.443 0.412 -6.974 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.270 1.376 -5.488 1.00 0.00 H new ATOM 809 N PHE A 52 6.008 3.015 -5.729 1.00 0.00 N ATOM 810 CA PHE A 52 6.485 4.218 -5.101 1.00 0.00 C ATOM 811 C PHE A 52 5.565 5.335 -5.472 1.00 0.00 C ATOM 812 O PHE A 52 5.494 5.747 -6.639 1.00 0.00 O ATOM 813 CB PHE A 52 7.915 4.548 -5.514 1.00 0.00 C ATOM 814 CG PHE A 52 8.947 3.593 -4.961 1.00 0.00 C ATOM 815 CD1 PHE A 52 9.274 2.423 -5.629 1.00 0.00 C ATOM 816 CD2 PHE A 52 9.576 3.867 -3.755 1.00 0.00 C ATOM 817 CE1 PHE A 52 10.207 1.548 -5.107 1.00 0.00 C ATOM 818 CE2 PHE A 52 10.511 2.997 -3.231 1.00 0.00 C ATOM 819 CZ PHE A 52 10.827 1.836 -3.907 1.00 0.00 C ATOM 0 H PHE A 52 5.775 3.139 -6.714 1.00 0.00 H new ATOM 0 HA PHE A 52 6.496 4.074 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 52 7.978 4.546 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.155 5.558 -5.183 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.794 2.193 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 52 9.331 4.772 -3.219 1.00 0.00 H new ATOM 0 HE1 PHE A 52 10.451 0.639 -5.637 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.995 3.225 -2.293 1.00 0.00 H new ATOM 0 HZ PHE A 52 11.558 1.154 -3.498 1.00 0.00 H new ATOM 829 N LEU A 53 4.846 5.804 -4.512 1.00 0.00 N ATOM 830 CA LEU A 53 3.861 6.820 -4.725 1.00 0.00 C ATOM 831 C LEU A 53 4.073 7.935 -3.733 1.00 0.00 C ATOM 832 O LEU A 53 4.618 7.713 -2.653 1.00 0.00 O ATOM 833 CB LEU A 53 2.464 6.221 -4.619 1.00 0.00 C ATOM 834 CG LEU A 53 2.104 5.188 -5.697 1.00 0.00 C ATOM 835 CD1 LEU A 53 0.820 4.511 -5.343 1.00 0.00 C ATOM 836 CD2 LEU A 53 1.990 5.844 -7.079 1.00 0.00 C ATOM 0 H LEU A 53 4.922 5.493 -3.544 1.00 0.00 H new ATOM 0 HA LEU A 53 3.962 7.236 -5.728 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.363 5.750 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.736 7.031 -4.660 1.00 0.00 H new ATOM 0 HG LEU A 53 2.903 4.448 -5.740 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.570 3.780 -6.112 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.927 4.006 -4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.024 5.253 -5.276 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.734 5.087 -7.821 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.212 6.607 -7.056 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.942 6.304 -7.343 1.00 0.00 H new ATOM 848 N GLY A 54 3.708 9.132 -4.111 1.00 0.00 N ATOM 849 CA GLY A 54 3.939 10.255 -3.267 1.00 0.00 C ATOM 850 C GLY A 54 2.831 10.408 -2.281 1.00 0.00 C ATOM 851 O GLY A 54 1.819 9.742 -2.409 1.00 0.00 O ATOM 0 H GLY A 54 3.251 9.345 -4.998 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.886 10.133 -2.742 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.023 11.159 -3.870 1.00 0.00 H new ATOM 855 N PRO A 55 2.954 11.321 -1.319 1.00 0.00 N ATOM 856 CA PRO A 55 1.936 11.502 -0.274 1.00 0.00 C ATOM 857 C PRO A 55 0.603 11.994 -0.838 1.00 0.00 C ATOM 858 O PRO A 55 -0.412 11.939 -0.185 1.00 0.00 O ATOM 859 CB PRO A 55 2.559 12.550 0.659 1.00 0.00 C ATOM 860 CG PRO A 55 3.566 13.261 -0.176 1.00 0.00 C ATOM 861 CD PRO A 55 4.089 12.247 -1.152 1.00 0.00 C ATOM 0 HA PRO A 55 1.695 10.565 0.228 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.804 13.239 1.038 1.00 0.00 H new ATOM 0 HB3 PRO A 55 3.026 12.080 1.525 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.114 14.106 -0.696 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.372 13.660 0.440 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.374 12.708 -2.097 1.00 0.00 H new ATOM 0 HD3 PRO A 55 4.972 11.736 -0.767 1.00 0.00 H new ATOM 869 N LYS A 56 0.640 12.499 -2.049 1.00 0.00 N ATOM 870 CA LYS A 56 -0.554 12.941 -2.713 1.00 0.00 C ATOM 871 C LYS A 56 -1.106 11.885 -3.674 1.00 0.00 C ATOM 872 O LYS A 56 -2.082 12.120 -4.394 1.00 0.00 O ATOM 873 CB LYS A 56 -0.303 14.277 -3.411 1.00 0.00 C ATOM 874 CG LYS A 56 0.937 14.353 -4.349 1.00 0.00 C ATOM 875 CD LYS A 56 0.812 13.480 -5.603 1.00 0.00 C ATOM 876 CE LYS A 56 -0.354 13.896 -6.508 1.00 0.00 C ATOM 877 NZ LYS A 56 -1.127 12.709 -6.966 1.00 0.00 N ATOM 0 H LYS A 56 1.494 12.613 -2.595 1.00 0.00 H new ATOM 0 HA LYS A 56 -1.325 13.091 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.188 14.527 -3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -0.199 15.046 -2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 56 1.090 15.389 -4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.823 14.049 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.742 13.533 -6.170 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.680 12.440 -5.304 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.013 14.576 -5.968 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.028 14.440 -7.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -1.834 13.005 -7.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -0.480 12.018 -7.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -1.608 12.273 -6.153 1.00 0.00 H new ATOM 891 N ASP A 57 -0.415 10.793 -3.755 1.00 0.00 N ATOM 892 CA ASP A 57 -0.808 9.667 -4.624 1.00 0.00 C ATOM 893 C ASP A 57 -1.395 8.570 -3.758 1.00 0.00 C ATOM 894 O ASP A 57 -1.858 7.531 -4.252 1.00 0.00 O ATOM 895 CB ASP A 57 0.399 9.080 -5.410 1.00 0.00 C ATOM 896 CG ASP A 57 1.111 10.027 -6.368 1.00 0.00 C ATOM 897 OD1 ASP A 57 0.450 10.678 -7.203 1.00 0.00 O ATOM 898 OD2 ASP A 57 2.381 10.109 -6.315 1.00 0.00 O ATOM 0 H ASP A 57 0.444 10.631 -3.230 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.532 10.041 -5.348 1.00 0.00 H new ATOM 0 HB2 ASP A 57 1.129 8.711 -4.689 1.00 0.00 H new ATOM 0 HB3 ASP A 57 0.049 8.218 -5.979 1.00 0.00 H new ATOM 903 N ILE A 58 -1.339 8.796 -2.467 1.00 0.00 N ATOM 904 CA ILE A 58 -1.836 7.890 -1.486 1.00 0.00 C ATOM 905 C ILE A 58 -2.754 8.627 -0.558 1.00 0.00 C ATOM 906 O ILE A 58 -2.670 9.843 -0.422 1.00 0.00 O ATOM 907 CB ILE A 58 -0.695 7.266 -0.665 1.00 0.00 C ATOM 908 CG1 ILE A 58 0.165 8.357 -0.033 1.00 0.00 C ATOM 909 CG2 ILE A 58 0.134 6.357 -1.521 1.00 0.00 C ATOM 910 CD1 ILE A 58 1.376 7.851 0.689 1.00 0.00 C ATOM 0 H ILE A 58 -0.933 9.643 -2.069 1.00 0.00 H new ATOM 0 HA ILE A 58 -2.367 7.089 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.130 6.669 0.137 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.485 9.048 -0.813 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.448 8.926 0.666 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.936 5.925 -0.923 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.493 5.559 -1.918 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.563 6.925 -2.346 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.929 8.693 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.067 7.184 1.494 1.00 0.00 H new ATOM 0 HD13 ILE A 58 2.014 7.308 -0.008 1.00 0.00 H new ATOM 922 N PHE A 59 -3.620 7.903 0.061 1.00 0.00 N ATOM 923 CA PHE A 59 -4.571 8.463 0.975 1.00 0.00 C ATOM 924 C PHE A 59 -4.626 7.558 2.174 1.00 0.00 C ATOM 925 O PHE A 59 -4.631 6.367 2.016 1.00 0.00 O ATOM 926 CB PHE A 59 -5.962 8.558 0.327 1.00 0.00 C ATOM 927 CG PHE A 59 -6.033 9.449 -0.895 1.00 0.00 C ATOM 928 CD1 PHE A 59 -5.698 8.966 -2.153 1.00 0.00 C ATOM 929 CD2 PHE A 59 -6.424 10.771 -0.776 1.00 0.00 C ATOM 930 CE1 PHE A 59 -5.750 9.785 -3.264 1.00 0.00 C ATOM 931 CE2 PHE A 59 -6.481 11.593 -1.883 1.00 0.00 C ATOM 932 CZ PHE A 59 -6.143 11.100 -3.129 1.00 0.00 C ATOM 0 H PHE A 59 -3.694 6.892 -0.050 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.270 9.472 1.258 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.287 7.556 0.048 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -6.669 8.927 1.070 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.393 7.936 -2.264 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.688 11.164 0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -5.484 9.397 -4.236 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -6.790 12.622 -1.776 1.00 0.00 H new ATOM 0 HZ PHE A 59 -6.187 11.743 -3.995 1.00 0.00 H new ATOM 942 N PRO A 60 -4.648 8.097 3.376 1.00 0.00 N ATOM 943 CA PRO A 60 -4.650 7.288 4.595 1.00 0.00 C ATOM 944 C PRO A 60 -5.907 6.443 4.728 1.00 0.00 C ATOM 945 O PRO A 60 -7.030 6.938 4.530 1.00 0.00 O ATOM 946 CB PRO A 60 -4.535 8.309 5.718 1.00 0.00 C ATOM 947 CG PRO A 60 -4.949 9.609 5.126 1.00 0.00 C ATOM 948 CD PRO A 60 -4.676 9.535 3.654 1.00 0.00 C ATOM 0 HA PRO A 60 -3.836 6.563 4.604 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -5.175 8.040 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.515 8.359 6.098 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -6.007 9.797 5.312 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -4.395 10.431 5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -5.452 10.039 3.077 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.729 10.010 3.398 1.00 0.00 H new ATOM 956 N TYR A 61 -5.707 5.166 5.052 1.00 0.00 N ATOM 957 CA TYR A 61 -6.784 4.186 5.192 1.00 0.00 C ATOM 958 C TYR A 61 -7.773 4.623 6.240 1.00 0.00 C ATOM 959 O TYR A 61 -8.960 4.525 6.051 1.00 0.00 O ATOM 960 CB TYR A 61 -6.210 2.791 5.547 1.00 0.00 C ATOM 961 CG TYR A 61 -7.247 1.746 5.953 1.00 0.00 C ATOM 962 CD1 TYR A 61 -7.929 0.999 5.007 1.00 0.00 C ATOM 963 CD2 TYR A 61 -7.540 1.522 7.298 1.00 0.00 C ATOM 964 CE1 TYR A 61 -8.876 0.064 5.385 1.00 0.00 C ATOM 965 CE2 TYR A 61 -8.478 0.592 7.678 1.00 0.00 C ATOM 966 CZ TYR A 61 -9.142 -0.134 6.724 1.00 0.00 C ATOM 967 OH TYR A 61 -10.085 -1.047 7.111 1.00 0.00 O ATOM 0 H TYR A 61 -4.780 4.778 5.227 1.00 0.00 H new ATOM 0 HA TYR A 61 -7.303 4.117 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -5.655 2.414 4.688 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.495 2.906 6.362 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.718 1.149 3.958 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.020 2.090 8.055 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.404 -0.508 4.636 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -8.691 0.434 8.725 1.00 0.00 H new ATOM 0 HH TYR A 61 -10.145 -1.061 8.089 1.00 0.00 H new ATOM 977 N SER A 62 -7.262 5.170 7.300 1.00 0.00 N ATOM 978 CA SER A 62 -8.065 5.568 8.436 1.00 0.00 C ATOM 979 C SER A 62 -9.086 6.647 8.052 1.00 0.00 C ATOM 980 O SER A 62 -10.220 6.659 8.541 1.00 0.00 O ATOM 981 CB SER A 62 -7.118 6.060 9.529 1.00 0.00 C ATOM 982 OG SER A 62 -7.788 6.634 10.635 1.00 0.00 O ATOM 0 H SER A 62 -6.266 5.359 7.411 1.00 0.00 H new ATOM 0 HA SER A 62 -8.642 4.718 8.799 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.510 5.225 9.876 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.436 6.797 9.104 1.00 0.00 H new ATOM 0 HG SER A 62 -7.927 7.590 10.473 1.00 0.00 H new ATOM 988 N GLU A 63 -8.681 7.515 7.172 1.00 0.00 N ATOM 989 CA GLU A 63 -9.461 8.647 6.770 1.00 0.00 C ATOM 990 C GLU A 63 -10.268 8.398 5.522 1.00 0.00 C ATOM 991 O GLU A 63 -11.153 9.162 5.199 1.00 0.00 O ATOM 992 CB GLU A 63 -8.517 9.773 6.490 1.00 0.00 C ATOM 993 CG GLU A 63 -7.841 10.402 7.690 1.00 0.00 C ATOM 994 CD GLU A 63 -7.163 9.469 8.685 1.00 0.00 C ATOM 995 OE1 GLU A 63 -6.058 9.013 8.443 1.00 0.00 O ATOM 996 OE2 GLU A 63 -7.749 9.231 9.769 1.00 0.00 O ATOM 0 H GLU A 63 -7.777 7.453 6.703 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.162 8.869 7.575 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.743 9.409 5.814 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -9.063 10.552 5.959 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.092 11.105 7.324 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -8.588 10.984 8.230 1.00 0.00 H new ATOM 1003 N ASN A 64 -9.914 7.404 4.789 1.00 0.00 N ATOM 1004 CA ASN A 64 -10.577 7.142 3.520 1.00 0.00 C ATOM 1005 C ASN A 64 -11.162 5.747 3.441 1.00 0.00 C ATOM 1006 O ASN A 64 -11.541 5.291 2.359 1.00 0.00 O ATOM 1007 CB ASN A 64 -9.614 7.378 2.346 1.00 0.00 C ATOM 1008 CG ASN A 64 -9.096 8.810 2.275 1.00 0.00 C ATOM 1009 OD1 ASN A 64 -9.692 9.666 1.647 1.00 0.00 O ATOM 1010 ND2 ASN A 64 -7.993 9.074 2.925 1.00 0.00 N ATOM 0 H ASN A 64 -9.171 6.747 5.028 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.408 7.844 3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.768 6.696 2.435 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -10.122 7.135 1.413 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -7.609 10.019 2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -7.517 8.335 3.442 1.00 0.00 H new ATOM 1017 N LYS A 65 -11.297 5.095 4.571 1.00 0.00 N ATOM 1018 CA LYS A 65 -11.819 3.706 4.610 1.00 0.00 C ATOM 1019 C LYS A 65 -13.292 3.668 4.183 1.00 0.00 C ATOM 1020 O LYS A 65 -13.741 2.734 3.555 1.00 0.00 O ATOM 1021 CB LYS A 65 -11.660 3.113 6.014 1.00 0.00 C ATOM 1022 CG LYS A 65 -12.474 3.845 7.033 1.00 0.00 C ATOM 1023 CD LYS A 65 -12.097 3.538 8.456 1.00 0.00 C ATOM 1024 CE LYS A 65 -12.894 4.434 9.397 1.00 0.00 C ATOM 1025 NZ LYS A 65 -12.704 5.882 9.078 1.00 0.00 N ATOM 0 H LYS A 65 -11.060 5.482 5.484 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.240 3.105 3.909 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.957 2.064 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.609 3.142 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -12.370 4.917 6.864 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -13.526 3.600 6.886 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.297 2.490 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.029 3.697 8.603 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.952 4.183 9.329 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -12.587 4.245 10.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.915 6.454 9.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.720 6.047 8.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -13.345 6.154 8.305 1.00 0.00 H new ATOM 1039 N GLU A 66 -14.010 4.733 4.490 1.00 0.00 N ATOM 1040 CA GLU A 66 -15.433 4.848 4.161 1.00 0.00 C ATOM 1041 C GLU A 66 -15.560 5.006 2.660 1.00 0.00 C ATOM 1042 O GLU A 66 -16.572 4.660 2.045 1.00 0.00 O ATOM 1043 CB GLU A 66 -16.070 6.122 4.767 1.00 0.00 C ATOM 1044 CG GLU A 66 -15.549 6.601 6.113 1.00 0.00 C ATOM 1045 CD GLU A 66 -14.186 7.233 5.980 1.00 0.00 C ATOM 1046 OE1 GLU A 66 -14.025 8.152 5.146 1.00 0.00 O ATOM 1047 OE2 GLU A 66 -13.254 6.774 6.666 1.00 0.00 O ATOM 0 H GLU A 66 -13.630 5.546 4.974 1.00 0.00 H new ATOM 0 HA GLU A 66 -15.930 3.961 4.553 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -15.944 6.934 4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.141 5.947 4.865 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -16.246 7.322 6.540 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.496 5.760 6.805 1.00 0.00 H new ATOM 1054 N LYS A 67 -14.506 5.517 2.083 1.00 0.00 N ATOM 1055 CA LYS A 67 -14.492 5.917 0.718 1.00 0.00 C ATOM 1056 C LYS A 67 -14.042 4.791 -0.178 1.00 0.00 C ATOM 1057 O LYS A 67 -14.817 4.308 -1.016 1.00 0.00 O ATOM 1058 CB LYS A 67 -13.545 7.105 0.560 1.00 0.00 C ATOM 1059 CG LYS A 67 -13.721 8.138 1.581 1.00 0.00 C ATOM 1060 CD LYS A 67 -12.767 9.233 1.331 1.00 0.00 C ATOM 1061 CE LYS A 67 -13.082 10.381 2.190 1.00 0.00 C ATOM 1062 NZ LYS A 67 -13.052 10.068 3.650 1.00 0.00 N ATOM 0 H LYS A 67 -13.620 5.666 2.566 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.505 6.196 0.426 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -12.517 6.745 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.695 7.550 -0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -14.743 8.517 1.559 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -13.558 7.717 2.573 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -11.750 8.892 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.809 9.530 0.283 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.372 11.182 1.985 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.071 10.758 1.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -13.300 10.920 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -13.737 9.313 3.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.098 9.753 3.918 1.00 0.00 H new ATOM 1076 N TYR A 68 -12.845 4.316 0.055 1.00 0.00 N ATOM 1077 CA TYR A 68 -12.227 3.352 -0.831 1.00 0.00 C ATOM 1078 C TYR A 68 -12.218 1.966 -0.233 1.00 0.00 C ATOM 1079 O TYR A 68 -11.772 1.010 -0.859 1.00 0.00 O ATOM 1080 CB TYR A 68 -10.812 3.805 -1.178 1.00 0.00 C ATOM 1081 CG TYR A 68 -10.767 5.204 -1.739 1.00 0.00 C ATOM 1082 CD1 TYR A 68 -11.301 5.488 -2.981 1.00 0.00 C ATOM 1083 CD2 TYR A 68 -10.199 6.236 -1.017 1.00 0.00 C ATOM 1084 CE1 TYR A 68 -11.268 6.771 -3.490 1.00 0.00 C ATOM 1085 CE2 TYR A 68 -10.159 7.523 -1.513 1.00 0.00 C ATOM 1086 CZ TYR A 68 -10.697 7.784 -2.751 1.00 0.00 C ATOM 1087 OH TYR A 68 -10.658 9.054 -3.258 1.00 0.00 O ATOM 0 H TYR A 68 -12.272 4.581 0.856 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.820 3.300 -1.744 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -10.191 3.757 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.382 3.114 -1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -11.750 4.696 -3.562 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -9.777 6.031 -0.044 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -11.688 6.980 -4.463 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -9.710 8.317 -0.935 1.00 0.00 H new ATOM 0 HH TYR A 68 -10.224 9.651 -2.613 1.00 0.00 H new ATOM 1097 N GLY A 69 -12.744 1.854 0.967 1.00 0.00 N ATOM 1098 CA GLY A 69 -12.811 0.580 1.644 1.00 0.00 C ATOM 1099 C GLY A 69 -13.989 -0.252 1.163 1.00 0.00 C ATOM 1100 O GLY A 69 -14.853 -0.629 1.942 1.00 0.00 O ATOM 0 H GLY A 69 -13.133 2.635 1.495 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.885 0.030 1.477 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.895 0.743 2.718 1.00 0.00 H new ATOM 1104 N LYS A 70 -14.043 -0.494 -0.130 1.00 0.00 N ATOM 1105 CA LYS A 70 -15.107 -1.277 -0.730 1.00 0.00 C ATOM 1106 C LYS A 70 -14.517 -2.371 -1.595 1.00 0.00 C ATOM 1107 O LYS A 70 -13.659 -2.090 -2.423 1.00 0.00 O ATOM 1108 CB LYS A 70 -16.018 -0.394 -1.590 1.00 0.00 C ATOM 1109 CG LYS A 70 -16.737 0.696 -0.826 1.00 0.00 C ATOM 1110 CD LYS A 70 -17.568 1.561 -1.755 1.00 0.00 C ATOM 1111 CE LYS A 70 -18.265 2.668 -0.992 1.00 0.00 C ATOM 1112 NZ LYS A 70 -17.300 3.499 -0.246 1.00 0.00 N ATOM 0 H LYS A 70 -13.350 -0.154 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 70 -15.698 -1.717 0.074 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -15.420 0.065 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -16.759 -1.026 -2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -17.381 0.249 -0.069 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -16.010 1.316 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -16.928 1.993 -2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -18.308 0.945 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -18.825 3.294 -1.687 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -18.987 2.236 -0.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.641 4.481 -0.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -17.202 3.132 0.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.376 3.470 -0.722 1.00 0.00 H new ATOM 1126 N PRO A 71 -14.946 -3.634 -1.394 1.00 0.00 N ATOM 1127 CA PRO A 71 -14.486 -4.765 -2.192 1.00 0.00 C ATOM 1128 C PRO A 71 -14.687 -4.536 -3.680 1.00 0.00 C ATOM 1129 O PRO A 71 -15.727 -4.032 -4.128 1.00 0.00 O ATOM 1130 CB PRO A 71 -15.360 -5.927 -1.736 1.00 0.00 C ATOM 1131 CG PRO A 71 -15.836 -5.550 -0.382 1.00 0.00 C ATOM 1132 CD PRO A 71 -15.894 -4.049 -0.352 1.00 0.00 C ATOM 0 HA PRO A 71 -13.419 -4.936 -2.053 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -16.196 -6.082 -2.418 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -14.794 -6.858 -1.709 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -16.817 -5.980 -0.182 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.160 -5.927 0.386 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -16.900 -3.685 -0.560 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -15.609 -3.658 0.625 1.00 0.00 H new ATOM 1140 N ASN A 72 -13.710 -4.907 -4.439 1.00 0.00 N ATOM 1141 CA ASN A 72 -13.775 -4.714 -5.853 1.00 0.00 C ATOM 1142 C ASN A 72 -13.778 -5.967 -6.625 1.00 0.00 C ATOM 1143 O ASN A 72 -13.718 -7.060 -6.083 1.00 0.00 O ATOM 1144 CB ASN A 72 -12.702 -3.777 -6.394 1.00 0.00 C ATOM 1145 CG ASN A 72 -13.150 -2.359 -6.377 1.00 0.00 C ATOM 1146 OD1 ASN A 72 -13.814 -1.897 -7.327 1.00 0.00 O ATOM 1147 ND2 ASN A 72 -12.802 -1.672 -5.358 1.00 0.00 N ATOM 0 H ASN A 72 -12.853 -5.347 -4.104 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.743 -4.233 -5.996 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -11.795 -3.879 -5.798 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.447 -4.066 -7.414 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -13.068 -0.689 -5.290 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -12.259 -2.106 -4.612 1.00 0.00 H new ATOM 1154 N LYS A 73 -13.824 -5.769 -7.918 1.00 0.00 N ATOM 1155 CA LYS A 73 -13.868 -6.812 -8.894 1.00 0.00 C ATOM 1156 C LYS A 73 -12.441 -7.115 -9.333 1.00 0.00 C ATOM 1157 O LYS A 73 -12.193 -7.915 -10.215 1.00 0.00 O ATOM 1158 CB LYS A 73 -14.732 -6.361 -10.108 1.00 0.00 C ATOM 1159 CG LYS A 73 -16.232 -6.060 -9.806 1.00 0.00 C ATOM 1160 CD LYS A 73 -16.478 -4.809 -8.917 1.00 0.00 C ATOM 1161 CE LYS A 73 -16.070 -3.497 -9.600 1.00 0.00 C ATOM 1162 NZ LYS A 73 -16.227 -2.312 -8.693 1.00 0.00 N ATOM 0 H LYS A 73 -13.832 -4.836 -8.330 1.00 0.00 H new ATOM 0 HA LYS A 73 -14.319 -7.710 -8.473 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -14.282 -5.466 -10.536 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -14.684 -7.138 -10.871 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -16.759 -5.927 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -16.671 -6.929 -9.316 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -17.534 -4.761 -8.652 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -15.920 -4.916 -7.987 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -15.033 -3.567 -9.927 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -16.677 -3.351 -10.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -16.291 -1.445 -9.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -17.093 -2.420 -8.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -15.405 -2.249 -8.058 1.00 0.00 H new ATOM 1176 N ARG A 74 -11.510 -6.412 -8.718 1.00 0.00 N ATOM 1177 CA ARG A 74 -10.119 -6.621 -8.953 1.00 0.00 C ATOM 1178 C ARG A 74 -9.618 -7.748 -8.084 1.00 0.00 C ATOM 1179 O ARG A 74 -9.667 -7.645 -6.856 1.00 0.00 O ATOM 1180 CB ARG A 74 -9.357 -5.352 -8.628 1.00 0.00 C ATOM 1181 CG ARG A 74 -9.028 -4.459 -9.812 1.00 0.00 C ATOM 1182 CD ARG A 74 -7.920 -5.078 -10.674 1.00 0.00 C ATOM 1183 NE ARG A 74 -7.269 -4.095 -11.568 1.00 0.00 N ATOM 1184 CZ ARG A 74 -5.924 -4.044 -11.795 1.00 0.00 C ATOM 1185 NH1 ARG A 74 -5.118 -5.012 -11.314 1.00 0.00 N ATOM 1186 NH2 ARG A 74 -5.394 -3.042 -12.508 1.00 0.00 N ATOM 0 H ARG A 74 -11.712 -5.678 -8.039 1.00 0.00 H new ATOM 0 HA ARG A 74 -9.965 -6.881 -10.000 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -9.940 -4.774 -7.911 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -8.425 -5.626 -8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -9.922 -4.306 -10.417 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.712 -3.478 -9.456 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -7.168 -5.524 -10.024 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.341 -5.884 -11.274 1.00 0.00 H new ATOM 0 HE ARG A 74 -7.861 -3.414 -12.044 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.513 -5.785 -10.779 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -4.113 -4.971 -11.485 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.996 -2.310 -12.885 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.388 -3.010 -12.674 1.00 0.00 H new ATOM 1200 N LYS A 75 -9.176 -8.821 -8.718 1.00 0.00 N ATOM 1201 CA LYS A 75 -8.578 -9.947 -8.021 1.00 0.00 C ATOM 1202 C LYS A 75 -7.400 -9.411 -7.205 1.00 0.00 C ATOM 1203 O LYS A 75 -6.528 -8.725 -7.746 1.00 0.00 O ATOM 1204 CB LYS A 75 -8.097 -11.007 -9.059 1.00 0.00 C ATOM 1205 CG LYS A 75 -7.758 -12.412 -8.498 1.00 0.00 C ATOM 1206 CD LYS A 75 -6.562 -12.415 -7.551 1.00 0.00 C ATOM 1207 CE LYS A 75 -6.289 -13.789 -6.962 1.00 0.00 C ATOM 1208 NZ LYS A 75 -5.339 -13.700 -5.831 1.00 0.00 N ATOM 0 H LYS A 75 -9.222 -8.936 -9.730 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.298 -10.428 -7.360 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.872 -11.119 -9.818 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.212 -10.617 -9.562 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.629 -12.805 -7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.555 -13.088 -9.329 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.677 -12.071 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -6.741 -11.706 -6.743 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -7.224 -14.236 -6.623 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.883 -14.445 -7.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.440 -14.152 -6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.169 -12.701 -5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.739 -14.185 -5.003 1.00 0.00 H new ATOM 1222 N GLY A 76 -7.405 -9.695 -5.928 1.00 0.00 N ATOM 1223 CA GLY A 76 -6.360 -9.235 -5.060 1.00 0.00 C ATOM 1224 C GLY A 76 -6.829 -8.142 -4.141 1.00 0.00 C ATOM 1225 O GLY A 76 -6.315 -7.990 -3.049 1.00 0.00 O ATOM 0 H GLY A 76 -8.128 -10.247 -5.467 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -5.987 -10.071 -4.468 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -5.525 -8.871 -5.659 1.00 0.00 H new ATOM 1229 N PHE A 77 -7.854 -7.415 -4.551 1.00 0.00 N ATOM 1230 CA PHE A 77 -8.346 -6.287 -3.767 1.00 0.00 C ATOM 1231 C PHE A 77 -9.018 -6.820 -2.514 1.00 0.00 C ATOM 1232 O PHE A 77 -8.855 -6.299 -1.416 1.00 0.00 O ATOM 1233 CB PHE A 77 -9.370 -5.488 -4.592 1.00 0.00 C ATOM 1234 CG PHE A 77 -9.654 -4.096 -4.082 1.00 0.00 C ATOM 1235 CD1 PHE A 77 -10.464 -3.881 -2.981 1.00 0.00 C ATOM 1236 CD2 PHE A 77 -9.101 -3.001 -4.719 1.00 0.00 C ATOM 1237 CE1 PHE A 77 -10.712 -2.603 -2.529 1.00 0.00 C ATOM 1238 CE2 PHE A 77 -9.351 -1.719 -4.273 1.00 0.00 C ATOM 1239 CZ PHE A 77 -10.158 -1.521 -3.176 1.00 0.00 C ATOM 0 H PHE A 77 -8.363 -7.582 -5.419 1.00 0.00 H new ATOM 0 HA PHE A 77 -7.515 -5.635 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -9.010 -5.416 -5.618 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -10.306 -6.046 -4.621 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -10.907 -4.724 -2.471 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -8.464 -3.151 -5.578 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -11.342 -2.450 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -8.914 -0.873 -4.784 1.00 0.00 H new ATOM 0 HZ PHE A 77 -10.356 -0.520 -2.823 1.00 0.00 H new ATOM 1249 N ASN A 78 -9.740 -7.891 -2.708 1.00 0.00 N ATOM 1250 CA ASN A 78 -10.529 -8.539 -1.669 1.00 0.00 C ATOM 1251 C ASN A 78 -9.594 -9.157 -0.655 1.00 0.00 C ATOM 1252 O ASN A 78 -9.773 -9.023 0.551 1.00 0.00 O ATOM 1253 CB ASN A 78 -11.383 -9.642 -2.309 1.00 0.00 C ATOM 1254 CG ASN A 78 -11.928 -9.229 -3.667 1.00 0.00 C ATOM 1255 OD1 ASN A 78 -11.290 -9.461 -4.683 1.00 0.00 O ATOM 1256 ND2 ASN A 78 -13.056 -8.581 -3.694 1.00 0.00 N ATOM 0 H ASN A 78 -9.804 -8.357 -3.613 1.00 0.00 H new ATOM 0 HA ASN A 78 -11.174 -7.810 -1.178 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -10.784 -10.546 -2.419 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.212 -9.888 -1.646 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -13.433 -8.250 -4.582 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -13.563 -8.404 -2.827 1.00 0.00 H new ATOM 1263 N GLU A 79 -8.580 -9.791 -1.174 1.00 0.00 N ATOM 1264 CA GLU A 79 -7.557 -10.454 -0.392 1.00 0.00 C ATOM 1265 C GLU A 79 -6.719 -9.421 0.351 1.00 0.00 C ATOM 1266 O GLU A 79 -6.317 -9.635 1.488 1.00 0.00 O ATOM 1267 CB GLU A 79 -6.706 -11.275 -1.338 1.00 0.00 C ATOM 1268 CG GLU A 79 -7.518 -12.326 -2.078 1.00 0.00 C ATOM 1269 CD GLU A 79 -6.840 -12.814 -3.315 1.00 0.00 C ATOM 1270 OE1 GLU A 79 -7.040 -12.204 -4.381 1.00 0.00 O ATOM 1271 OE2 GLU A 79 -6.096 -13.800 -3.276 1.00 0.00 O ATOM 0 H GLU A 79 -8.432 -9.867 -2.180 1.00 0.00 H new ATOM 0 HA GLU A 79 -8.005 -11.109 0.355 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.228 -10.613 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.909 -11.763 -0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -7.703 -13.170 -1.414 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -8.490 -11.909 -2.342 1.00 0.00 H new ATOM 1278 N GLY A 80 -6.500 -8.283 -0.289 1.00 0.00 N ATOM 1279 CA GLY A 80 -5.763 -7.212 0.326 1.00 0.00 C ATOM 1280 C GLY A 80 -6.512 -6.590 1.470 1.00 0.00 C ATOM 1281 O GLY A 80 -5.908 -6.164 2.449 1.00 0.00 O ATOM 0 H GLY A 80 -6.826 -8.086 -1.235 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -4.806 -7.591 0.684 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -5.544 -6.448 -0.421 1.00 0.00 H new ATOM 1285 N LEU A 81 -7.836 -6.545 1.354 1.00 0.00 N ATOM 1286 CA LEU A 81 -8.681 -6.073 2.444 1.00 0.00 C ATOM 1287 C LEU A 81 -8.522 -6.992 3.642 1.00 0.00 C ATOM 1288 O LEU A 81 -8.553 -6.556 4.774 1.00 0.00 O ATOM 1289 CB LEU A 81 -10.155 -5.996 2.022 1.00 0.00 C ATOM 1290 CG LEU A 81 -10.505 -4.959 0.948 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -11.963 -5.085 0.554 1.00 0.00 C ATOM 1292 CD2 LEU A 81 -10.222 -3.548 1.448 1.00 0.00 C ATOM 0 H LEU A 81 -8.345 -6.829 0.517 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.365 -5.065 2.712 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -10.458 -6.978 1.660 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -10.753 -5.785 2.908 1.00 0.00 H new ATOM 0 HG LEU A 81 -9.882 -5.149 0.074 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -12.199 -4.343 -0.209 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -12.148 -6.084 0.159 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -12.592 -4.919 1.429 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -10.477 -2.828 0.670 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.821 -3.350 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -9.165 -3.455 1.695 1.00 0.00 H new ATOM 1304 N TRP A 82 -8.316 -8.262 3.364 1.00 0.00 N ATOM 1305 CA TRP A 82 -8.070 -9.235 4.398 1.00 0.00 C ATOM 1306 C TRP A 82 -6.662 -9.044 5.007 1.00 0.00 C ATOM 1307 O TRP A 82 -6.508 -8.964 6.225 1.00 0.00 O ATOM 1308 CB TRP A 82 -8.263 -10.658 3.851 1.00 0.00 C ATOM 1309 CG TRP A 82 -7.877 -11.713 4.826 1.00 0.00 C ATOM 1310 CD1 TRP A 82 -8.594 -12.144 5.891 1.00 0.00 C ATOM 1311 CD2 TRP A 82 -6.664 -12.463 4.824 1.00 0.00 C ATOM 1312 NE1 TRP A 82 -7.888 -13.102 6.567 1.00 0.00 N ATOM 1313 CE2 TRP A 82 -6.702 -13.320 5.928 1.00 0.00 C ATOM 1314 CE3 TRP A 82 -5.551 -12.479 3.993 1.00 0.00 C ATOM 1315 CZ2 TRP A 82 -5.663 -14.192 6.231 1.00 0.00 C ATOM 1316 CZ3 TRP A 82 -4.515 -13.343 4.286 1.00 0.00 C ATOM 1317 CH2 TRP A 82 -4.579 -14.191 5.399 1.00 0.00 C ATOM 0 H TRP A 82 -8.315 -8.644 2.418 1.00 0.00 H new ATOM 0 HA TRP A 82 -8.794 -9.085 5.199 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -9.307 -10.795 3.570 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -7.671 -10.776 2.943 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -9.575 -11.786 6.166 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.199 -13.578 7.414 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.497 -11.827 3.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -5.711 -14.845 7.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -3.643 -13.365 3.649 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -3.755 -14.858 5.604 1.00 0.00 H new ATOM 1328 N GLU A 83 -5.648 -8.944 4.150 1.00 0.00 N ATOM 1329 CA GLU A 83 -4.267 -8.750 4.602 1.00 0.00 C ATOM 1330 C GLU A 83 -4.092 -7.506 5.436 1.00 0.00 C ATOM 1331 O GLU A 83 -3.441 -7.559 6.447 1.00 0.00 O ATOM 1332 CB GLU A 83 -3.270 -8.752 3.446 1.00 0.00 C ATOM 1333 CG GLU A 83 -3.006 -10.124 2.870 1.00 0.00 C ATOM 1334 CD GLU A 83 -1.873 -10.136 1.853 1.00 0.00 C ATOM 1335 OE1 GLU A 83 -1.949 -9.415 0.842 1.00 0.00 O ATOM 1336 OE2 GLU A 83 -0.873 -10.864 2.044 1.00 0.00 O ATOM 0 H GLU A 83 -5.754 -8.994 3.137 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.052 -9.608 5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -3.644 -8.102 2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -2.328 -8.325 3.790 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.766 -10.812 3.681 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -3.915 -10.494 2.397 1.00 0.00 H new ATOM 1343 N ILE A 84 -4.737 -6.418 5.063 1.00 0.00 N ATOM 1344 CA ILE A 84 -4.557 -5.160 5.778 1.00 0.00 C ATOM 1345 C ILE A 84 -5.222 -5.226 7.166 1.00 0.00 C ATOM 1346 O ILE A 84 -4.861 -4.490 8.079 1.00 0.00 O ATOM 1347 CB ILE A 84 -5.074 -3.928 4.950 1.00 0.00 C ATOM 1348 CG1 ILE A 84 -4.629 -2.611 5.602 1.00 0.00 C ATOM 1349 CG2 ILE A 84 -6.591 -3.961 4.807 1.00 0.00 C ATOM 1350 CD1 ILE A 84 -4.942 -1.364 4.792 1.00 0.00 C ATOM 0 H ILE A 84 -5.386 -6.374 4.277 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.486 -5.012 5.919 1.00 0.00 H new ATOM 0 HB ILE A 84 -4.636 -3.989 3.954 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -5.108 -2.524 6.577 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.554 -2.653 5.778 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -6.921 -3.097 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -6.888 -4.875 4.294 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -7.050 -3.934 5.795 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -4.592 -0.483 5.330 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -4.440 -1.422 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -6.019 -1.291 4.638 1.00 0.00 H new ATOM 1362 N ASP A 85 -6.159 -6.141 7.302 1.00 0.00 N ATOM 1363 CA ASP A 85 -6.915 -6.313 8.514 1.00 0.00 C ATOM 1364 C ASP A 85 -6.198 -7.289 9.443 1.00 0.00 C ATOM 1365 O ASP A 85 -6.033 -7.038 10.630 1.00 0.00 O ATOM 1366 CB ASP A 85 -8.293 -6.851 8.126 1.00 0.00 C ATOM 1367 CG ASP A 85 -9.221 -7.102 9.298 1.00 0.00 C ATOM 1368 OD1 ASP A 85 -9.805 -6.134 9.816 1.00 0.00 O ATOM 1369 OD2 ASP A 85 -9.389 -8.285 9.671 1.00 0.00 O ATOM 0 H ASP A 85 -6.417 -6.793 6.561 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.017 -5.366 9.044 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.768 -6.142 7.448 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -8.164 -7.782 7.575 1.00 0.00 H new ATOM 1374 N ASN A 86 -5.689 -8.373 8.866 1.00 0.00 N ATOM 1375 CA ASN A 86 -5.082 -9.452 9.672 1.00 0.00 C ATOM 1376 C ASN A 86 -3.623 -9.230 9.899 1.00 0.00 C ATOM 1377 O ASN A 86 -3.134 -9.331 11.019 1.00 0.00 O ATOM 1378 CB ASN A 86 -5.310 -10.858 9.067 1.00 0.00 C ATOM 1379 CG ASN A 86 -6.760 -11.307 9.099 1.00 0.00 C ATOM 1380 OD1 ASN A 86 -7.056 -12.497 9.254 1.00 0.00 O ATOM 1381 ND2 ASN A 86 -7.651 -10.383 8.932 1.00 0.00 N ATOM 0 H ASN A 86 -5.679 -8.536 7.859 1.00 0.00 H new ATOM 0 HA ASN A 86 -5.595 -9.416 10.633 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -4.960 -10.861 8.035 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -4.703 -11.581 9.611 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -8.642 -10.625 8.925 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -7.362 -9.413 8.808 1.00 0.00 H new ATOM 1388 N ASN A 87 -2.912 -8.935 8.849 1.00 0.00 N ATOM 1389 CA ASN A 87 -1.484 -8.692 8.978 1.00 0.00 C ATOM 1390 C ASN A 87 -1.111 -7.421 8.238 1.00 0.00 C ATOM 1391 O ASN A 87 -0.583 -7.462 7.134 1.00 0.00 O ATOM 1392 CB ASN A 87 -0.668 -9.887 8.486 1.00 0.00 C ATOM 1393 CG ASN A 87 0.832 -9.739 8.751 1.00 0.00 C ATOM 1394 OD1 ASN A 87 1.265 -9.025 9.654 1.00 0.00 O ATOM 1395 ND2 ASN A 87 1.625 -10.442 7.990 1.00 0.00 N ATOM 0 H ASN A 87 -3.281 -8.855 7.901 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.246 -8.561 10.034 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -1.030 -10.792 8.974 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.831 -10.015 7.416 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.634 -10.409 8.136 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.236 -11.025 7.249 1.00 0.00 H new ATOM 1402 N PRO A 88 -1.413 -6.265 8.834 1.00 0.00 N ATOM 1403 CA PRO A 88 -1.282 -4.970 8.165 1.00 0.00 C ATOM 1404 C PRO A 88 0.133 -4.579 7.751 1.00 0.00 C ATOM 1405 O PRO A 88 0.305 -3.688 6.939 1.00 0.00 O ATOM 1406 CB PRO A 88 -1.849 -3.967 9.174 1.00 0.00 C ATOM 1407 CG PRO A 88 -1.777 -4.655 10.490 1.00 0.00 C ATOM 1408 CD PRO A 88 -1.949 -6.114 10.206 1.00 0.00 C ATOM 0 HA PRO A 88 -1.810 -5.000 7.212 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -1.269 -3.044 9.180 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.876 -3.697 8.926 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -0.822 -4.463 10.978 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.556 -4.294 11.161 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.402 -6.729 10.920 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -2.996 -6.413 10.263 1.00 0.00 H new ATOM 1416 N LYS A 89 1.143 -5.218 8.296 1.00 0.00 N ATOM 1417 CA LYS A 89 2.487 -4.853 7.932 1.00 0.00 C ATOM 1418 C LYS A 89 3.125 -5.910 7.024 1.00 0.00 C ATOM 1419 O LYS A 89 4.377 -5.985 6.916 1.00 0.00 O ATOM 1420 CB LYS A 89 3.356 -4.628 9.162 1.00 0.00 C ATOM 1421 CG LYS A 89 3.784 -5.896 9.888 1.00 0.00 C ATOM 1422 CD LYS A 89 4.915 -5.617 10.867 1.00 0.00 C ATOM 1423 CE LYS A 89 6.076 -4.831 10.206 1.00 0.00 C ATOM 1424 NZ LYS A 89 6.550 -5.427 8.910 1.00 0.00 N ATOM 0 H LYS A 89 1.062 -5.974 8.976 1.00 0.00 H new ATOM 0 HA LYS A 89 2.424 -3.915 7.380 1.00 0.00 H new ATOM 0 HB2 LYS A 89 4.249 -4.080 8.862 1.00 0.00 H new ATOM 0 HB3 LYS A 89 2.812 -3.993 9.861 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.932 -6.316 10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 89 4.105 -6.643 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 89 4.529 -5.050 11.714 1.00 0.00 H new ATOM 0 HD3 LYS A 89 5.294 -6.560 11.261 1.00 0.00 H new ATOM 0 HE2 LYS A 89 5.753 -3.805 10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.914 -4.784 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.216 -4.774 8.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.027 -6.332 9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.736 -5.588 8.284 1.00 0.00 H new ATOM 1438 N VAL A 90 2.293 -6.707 6.391 1.00 0.00 N ATOM 1439 CA VAL A 90 2.750 -7.821 5.584 1.00 0.00 C ATOM 1440 C VAL A 90 3.444 -7.388 4.296 1.00 0.00 C ATOM 1441 O VAL A 90 3.159 -6.343 3.720 1.00 0.00 O ATOM 1442 CB VAL A 90 1.589 -8.840 5.258 1.00 0.00 C ATOM 1443 CG1 VAL A 90 0.581 -8.279 4.281 1.00 0.00 C ATOM 1444 CG2 VAL A 90 2.110 -10.197 4.782 1.00 0.00 C ATOM 0 H VAL A 90 1.279 -6.602 6.420 1.00 0.00 H new ATOM 0 HA VAL A 90 3.493 -8.328 6.200 1.00 0.00 H new ATOM 0 HB VAL A 90 1.073 -9.003 6.204 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -0.195 -9.021 4.092 1.00 0.00 H new ATOM 0 HG12 VAL A 90 0.129 -7.380 4.700 1.00 0.00 H new ATOM 0 HG13 VAL A 90 1.081 -8.031 3.345 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.268 -10.857 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 90 2.700 -10.063 3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.734 -10.640 5.558 1.00 0.00 H new ATOM 1454 N LYS A 91 4.404 -8.188 3.939 1.00 0.00 N ATOM 1455 CA LYS A 91 5.089 -8.170 2.699 1.00 0.00 C ATOM 1456 C LYS A 91 5.387 -9.612 2.416 1.00 0.00 C ATOM 1457 O LYS A 91 5.592 -10.388 3.364 1.00 0.00 O ATOM 1458 CB LYS A 91 6.378 -7.327 2.718 1.00 0.00 C ATOM 1459 CG LYS A 91 7.335 -7.598 3.881 1.00 0.00 C ATOM 1460 CD LYS A 91 8.819 -7.400 3.499 1.00 0.00 C ATOM 1461 CE LYS A 91 9.117 -6.109 2.714 1.00 0.00 C ATOM 1462 NZ LYS A 91 8.664 -4.891 3.382 1.00 0.00 N ATOM 0 H LYS A 91 4.747 -8.921 4.559 1.00 0.00 H new ATOM 0 HA LYS A 91 4.480 -7.699 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 91 6.914 -7.497 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 91 6.100 -6.273 2.739 1.00 0.00 H new ATOM 0 HG2 LYS A 91 7.087 -6.935 4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 91 7.189 -8.619 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.417 -7.401 4.410 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.143 -8.254 2.904 1.00 0.00 H new ATOM 0 HE2 LYS A 91 10.191 -6.040 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.642 -6.173 1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 9.199 -4.076 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 7.650 -4.750 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 8.820 -4.978 4.406 1.00 0.00 H new ATOM 1476 N PHE A 92 5.381 -10.010 1.178 1.00 0.00 N ATOM 1477 CA PHE A 92 5.561 -11.405 0.874 1.00 0.00 C ATOM 1478 C PHE A 92 7.006 -11.787 1.036 1.00 0.00 C ATOM 1479 O PHE A 92 7.851 -11.426 0.242 1.00 0.00 O ATOM 1480 CB PHE A 92 5.041 -11.752 -0.507 1.00 0.00 C ATOM 1481 CG PHE A 92 4.992 -13.232 -0.794 1.00 0.00 C ATOM 1482 CD1 PHE A 92 4.061 -14.043 -0.156 1.00 0.00 C ATOM 1483 CD2 PHE A 92 5.857 -13.809 -1.709 1.00 0.00 C ATOM 1484 CE1 PHE A 92 3.997 -15.396 -0.425 1.00 0.00 C ATOM 1485 CE2 PHE A 92 5.799 -15.163 -1.979 1.00 0.00 C ATOM 1486 CZ PHE A 92 4.868 -15.957 -1.337 1.00 0.00 C ATOM 0 H PHE A 92 5.255 -9.401 0.370 1.00 0.00 H new ATOM 0 HA PHE A 92 4.971 -11.987 1.582 1.00 0.00 H new ATOM 0 HB2 PHE A 92 4.039 -11.338 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 92 5.672 -11.269 -1.253 1.00 0.00 H new ATOM 0 HD1 PHE A 92 3.378 -13.609 0.560 1.00 0.00 H new ATOM 0 HD2 PHE A 92 6.585 -13.194 -2.217 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.267 -16.014 0.077 1.00 0.00 H new ATOM 0 HE2 PHE A 92 6.482 -15.601 -2.692 1.00 0.00 H new ATOM 0 HZ PHE A 92 4.822 -17.015 -1.549 1.00 0.00 H new ATOM 1496 N SER A 93 7.257 -12.488 2.089 1.00 0.00 N ATOM 1497 CA SER A 93 8.592 -12.910 2.452 1.00 0.00 C ATOM 1498 C SER A 93 8.771 -14.406 2.147 1.00 0.00 C ATOM 1499 O SER A 93 9.662 -15.053 2.669 1.00 0.00 O ATOM 1500 CB SER A 93 8.791 -12.616 3.940 1.00 0.00 C ATOM 1501 OG SER A 93 8.416 -11.261 4.224 1.00 0.00 O ATOM 0 H SER A 93 6.536 -12.796 2.742 1.00 0.00 H new ATOM 0 HA SER A 93 9.340 -12.369 1.873 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.191 -13.302 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.833 -12.780 4.216 1.00 0.00 H new ATOM 0 HG SER A 93 8.544 -11.079 5.178 1.00 0.00 H new TER 1507 SER A 93