USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 532 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 7 LYS NZ :NH3+ -119:sc= 1.91 (180deg=0.39) USER MOD Set 1.2: A 55 THR OG1 : rot -126:sc= 1.04! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 169:sc= -0.0759 (180deg=-0.223) USER MOD Single : A 2 LYS NZ :NH3+ -165:sc= -0.0125 (180deg=-0.174) USER MOD Single : A 4 MET CE :methyl 158:sc= 0 (180deg=-0.733) USER MOD Single : A 8 THR OG1 : rot -14:sc= 1.08 USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.0802 USER MOD Single : A 12 HIS : no HD1:sc= -0.0393 X(o=-0.039,f=0) USER MOD Single : A 13 SER OG : rot 30:sc= 0.905 USER MOD Single : A 15 TYR OH : rot 1:sc= 0.0345 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.178 K(o=-0.18,f=-4.5!) USER MOD Single : A 37 LYS NZ :NH3+ -135:sc= 1.12 (180deg=-0.901) USER MOD Single : A 39 THR OG1 : rot 120:sc= 1.25 USER MOD Single : A 42 ASN : amide:sc= -1.51! K(o=-1.5!,f=-0.69) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 157:sc= 0 (180deg=-0.811) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ -171:sc= 0.511 (180deg=0.317) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.337 1.213 0.782 1.00 0.00 N ATOM 2 CA MET A 1 1.361 1.197 -0.336 1.00 0.00 C ATOM 3 C MET A 1 1.462 -0.106 -1.139 1.00 0.00 C ATOM 4 O MET A 1 1.047 -0.161 -2.299 1.00 0.00 O ATOM 5 CB MET A 1 1.586 2.409 -1.259 1.00 0.00 C ATOM 6 CG MET A 1 2.955 2.443 -1.927 1.00 0.00 C ATOM 7 SD MET A 1 3.159 3.869 -3.019 1.00 0.00 S ATOM 8 CE MET A 1 4.817 3.589 -3.642 1.00 0.00 C ATOM 0 H1 MET A 1 2.380 2.168 1.191 1.00 0.00 H new ATOM 0 H2 MET A 1 2.039 0.536 1.513 1.00 0.00 H new ATOM 0 H3 MET A 1 3.277 0.946 0.426 1.00 0.00 H new ATOM 0 HA MET A 1 0.359 1.257 0.090 1.00 0.00 H new ATOM 0 HB2 MET A 1 0.817 2.410 -2.032 1.00 0.00 H new ATOM 0 HB3 MET A 1 1.455 3.322 -0.678 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.729 2.463 -1.160 1.00 0.00 H new ATOM 0 HG3 MET A 1 3.098 1.527 -2.500 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.087 4.389 -4.331 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.521 3.574 -2.810 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.853 2.633 -4.164 1.00 0.00 H new ATOM 18 N LYS A 2 1.988 -1.160 -0.515 1.00 0.00 N ATOM 19 CA LYS A 2 2.156 -2.449 -1.183 1.00 0.00 C ATOM 20 C LYS A 2 1.472 -3.552 -0.371 1.00 0.00 C ATOM 21 O LYS A 2 1.490 -3.523 0.865 1.00 0.00 O ATOM 22 CB LYS A 2 3.654 -2.748 -1.353 1.00 0.00 C ATOM 23 CG LYS A 2 3.976 -3.764 -2.445 1.00 0.00 C ATOM 24 CD LYS A 2 3.427 -3.319 -3.800 1.00 0.00 C ATOM 25 CE LYS A 2 4.062 -4.081 -4.958 1.00 0.00 C ATOM 26 NZ LYS A 2 5.487 -3.708 -5.154 1.00 0.00 N ATOM 0 H LYS A 2 2.305 -1.145 0.454 1.00 0.00 H new ATOM 0 HA LYS A 2 1.692 -2.412 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 2 4.175 -1.817 -1.576 1.00 0.00 H new ATOM 0 HB3 LYS A 2 4.048 -3.115 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 2 5.056 -3.896 -2.514 1.00 0.00 H new ATOM 0 HG3 LYS A 2 3.552 -4.733 -2.179 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.347 -3.467 -3.819 1.00 0.00 H new ATOM 0 HD3 LYS A 2 3.605 -2.251 -3.929 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.990 -5.152 -4.770 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.505 -3.880 -5.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.809 -4.043 -6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 5.585 -2.674 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 6.066 -4.146 -4.409 1.00 0.00 H new ATOM 40 N VAL A 3 0.861 -4.514 -1.064 1.00 0.00 N ATOM 41 CA VAL A 3 0.142 -5.604 -0.406 1.00 0.00 C ATOM 42 C VAL A 3 0.236 -6.890 -1.228 1.00 0.00 C ATOM 43 O VAL A 3 0.296 -6.845 -2.457 1.00 0.00 O ATOM 44 CB VAL A 3 -1.353 -5.239 -0.193 1.00 0.00 C ATOM 45 CG1 VAL A 3 -2.059 -5.014 -1.533 1.00 0.00 C ATOM 46 CG2 VAL A 3 -2.069 -6.310 0.632 1.00 0.00 C ATOM 0 H VAL A 3 0.850 -4.560 -2.083 1.00 0.00 H new ATOM 0 HA VAL A 3 0.609 -5.763 0.566 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.392 -4.305 0.368 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.104 -4.760 -1.356 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -1.573 -4.198 -2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -2.003 -5.924 -2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.114 -6.029 0.766 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -2.014 -7.267 0.112 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.590 -6.399 1.607 1.00 0.00 H new ATOM 56 N MET A 4 0.263 -8.031 -0.546 1.00 0.00 N ATOM 57 CA MET A 4 0.281 -9.331 -1.209 1.00 0.00 C ATOM 58 C MET A 4 -1.045 -10.047 -0.973 1.00 0.00 C ATOM 59 O MET A 4 -1.375 -10.403 0.160 1.00 0.00 O ATOM 60 CB MET A 4 1.445 -10.190 -0.692 1.00 0.00 C ATOM 61 CG MET A 4 1.565 -11.543 -1.385 1.00 0.00 C ATOM 62 SD MET A 4 2.942 -12.533 -0.762 1.00 0.00 S ATOM 63 CE MET A 4 2.830 -13.979 -1.819 1.00 0.00 C ATOM 0 H MET A 4 0.273 -8.081 0.473 1.00 0.00 H new ATOM 0 HA MET A 4 0.421 -9.175 -2.279 1.00 0.00 H new ATOM 0 HB2 MET A 4 2.377 -9.640 -0.824 1.00 0.00 H new ATOM 0 HB3 MET A 4 1.319 -10.350 0.379 1.00 0.00 H new ATOM 0 HG2 MET A 4 0.636 -12.097 -1.252 1.00 0.00 H new ATOM 0 HG3 MET A 4 1.692 -11.387 -2.456 1.00 0.00 H new ATOM 0 HE1 MET A 4 3.794 -14.487 -1.844 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.072 -14.658 -1.428 1.00 0.00 H new ATOM 0 HE3 MET A 4 2.556 -13.672 -2.828 1.00 0.00 H new ATOM 73 N ILE A 5 -1.811 -10.239 -2.041 1.00 0.00 N ATOM 74 CA ILE A 5 -3.114 -10.888 -1.946 1.00 0.00 C ATOM 75 C ILE A 5 -2.971 -12.388 -2.186 1.00 0.00 C ATOM 76 O ILE A 5 -2.383 -12.810 -3.183 1.00 0.00 O ATOM 77 CB ILE A 5 -4.119 -10.296 -2.965 1.00 0.00 C ATOM 78 CG1 ILE A 5 -4.231 -8.768 -2.797 1.00 0.00 C ATOM 79 CG2 ILE A 5 -5.493 -10.958 -2.820 1.00 0.00 C ATOM 80 CD1 ILE A 5 -4.744 -8.328 -1.441 1.00 0.00 C ATOM 0 H ILE A 5 -1.551 -9.954 -2.985 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.500 -10.710 -0.942 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.746 -10.502 -3.968 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.250 -8.323 -2.964 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.894 -8.377 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.183 -10.527 -3.545 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.401 -12.029 -2.999 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.874 -10.789 -1.813 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -4.793 -7.240 -1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -5.739 -8.741 -1.277 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.070 -8.686 -0.663 1.00 0.00 H new ATOM 92 N ARG A 6 -3.512 -13.184 -1.271 1.00 0.00 N ATOM 93 CA ARG A 6 -3.442 -14.637 -1.363 1.00 0.00 C ATOM 94 C ARG A 6 -4.726 -15.185 -1.978 1.00 0.00 C ATOM 95 O ARG A 6 -5.818 -15.005 -1.430 1.00 0.00 O ATOM 96 CB ARG A 6 -3.220 -15.249 0.029 1.00 0.00 C ATOM 97 CG ARG A 6 -1.900 -14.837 0.679 1.00 0.00 C ATOM 98 CD ARG A 6 -1.751 -15.427 2.077 1.00 0.00 C ATOM 99 NE ARG A 6 -1.852 -16.890 2.071 1.00 0.00 N ATOM 100 CZ ARG A 6 -2.005 -17.635 3.167 1.00 0.00 C ATOM 101 NH1 ARG A 6 -2.003 -17.075 4.366 1.00 0.00 N ATOM 102 NH2 ARG A 6 -2.128 -18.951 3.062 1.00 0.00 N ATOM 0 H ARG A 6 -4.009 -12.842 -0.448 1.00 0.00 H new ATOM 0 HA ARG A 6 -2.601 -14.907 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.043 -14.955 0.681 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -3.251 -16.336 -0.053 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -1.069 -15.166 0.055 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -1.846 -13.750 0.735 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.788 -15.132 2.494 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -2.521 -15.013 2.729 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.802 -17.368 1.172 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -1.884 -16.066 4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -2.121 -17.652 5.199 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.106 -19.394 2.143 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -2.245 -19.521 3.900 1.00 0.00 H new ATOM 116 N LYS A 7 -4.586 -15.850 -3.120 1.00 0.00 N ATOM 117 CA LYS A 7 -5.727 -16.375 -3.862 1.00 0.00 C ATOM 118 C LYS A 7 -5.632 -17.888 -4.039 1.00 0.00 C ATOM 119 O LYS A 7 -4.634 -18.401 -4.542 1.00 0.00 O ATOM 120 CB LYS A 7 -5.819 -15.701 -5.245 1.00 0.00 C ATOM 121 CG LYS A 7 -6.679 -14.439 -5.278 1.00 0.00 C ATOM 122 CD LYS A 7 -8.144 -14.741 -4.960 1.00 0.00 C ATOM 123 CE LYS A 7 -8.727 -15.822 -5.875 1.00 0.00 C ATOM 124 NZ LYS A 7 -8.726 -15.420 -7.309 1.00 0.00 N ATOM 0 H LYS A 7 -3.683 -16.040 -3.556 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.625 -16.153 -3.285 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.813 -15.449 -5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.222 -16.419 -5.959 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.292 -13.717 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.609 -13.977 -6.263 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -8.229 -15.062 -3.922 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -8.731 -13.828 -5.060 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.152 -16.740 -5.759 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -9.748 -16.044 -5.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -9.703 -15.402 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.306 -14.474 -7.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -8.169 -16.103 -7.861 1.00 0.00 H new ATOM 138 N THR A 8 -6.677 -18.588 -3.609 1.00 0.00 N ATOM 139 CA THR A 8 -6.843 -20.009 -3.900 1.00 0.00 C ATOM 140 C THR A 8 -8.286 -20.262 -4.338 1.00 0.00 C ATOM 141 O THR A 8 -9.106 -19.339 -4.335 1.00 0.00 O ATOM 142 CB THR A 8 -6.498 -20.904 -2.680 1.00 0.00 C ATOM 143 OG1 THR A 8 -7.264 -20.503 -1.540 1.00 0.00 O ATOM 144 CG2 THR A 8 -5.010 -20.839 -2.343 1.00 0.00 C ATOM 0 H THR A 8 -7.431 -18.188 -3.050 1.00 0.00 H new ATOM 0 HA THR A 8 -6.149 -20.273 -4.698 1.00 0.00 H new ATOM 0 HB THR A 8 -6.746 -21.932 -2.944 1.00 0.00 H new ATOM 0 HG1 THR A 8 -7.669 -19.627 -1.710 1.00 0.00 H new ATOM 0 HG21 THR A 8 -4.803 -21.477 -1.484 1.00 0.00 H new ATOM 0 HG22 THR A 8 -4.428 -21.182 -3.198 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.735 -19.811 -2.106 1.00 0.00 H new ATOM 152 N ALA A 9 -8.591 -21.501 -4.717 1.00 0.00 N ATOM 153 CA ALA A 9 -9.930 -21.862 -5.176 1.00 0.00 C ATOM 154 C ALA A 9 -10.969 -21.629 -4.080 1.00 0.00 C ATOM 155 O ALA A 9 -12.115 -21.268 -4.360 1.00 0.00 O ATOM 156 CB ALA A 9 -9.959 -23.319 -5.634 1.00 0.00 C ATOM 0 H ALA A 9 -7.926 -22.274 -4.715 1.00 0.00 H new ATOM 0 HA ALA A 9 -10.182 -21.222 -6.021 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -10.963 -23.574 -5.973 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -9.253 -23.457 -6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -9.681 -23.967 -4.803 1.00 0.00 H new ATOM 162 N THR A 10 -10.559 -21.831 -2.832 1.00 0.00 N ATOM 163 CA THR A 10 -11.453 -21.677 -1.689 1.00 0.00 C ATOM 164 C THR A 10 -11.056 -20.476 -0.831 1.00 0.00 C ATOM 165 O THR A 10 -11.860 -19.566 -0.606 1.00 0.00 O ATOM 166 CB THR A 10 -11.456 -22.958 -0.820 1.00 0.00 C ATOM 167 OG1 THR A 10 -10.110 -23.307 -0.457 1.00 0.00 O ATOM 168 CG2 THR A 10 -12.102 -24.125 -1.562 1.00 0.00 C ATOM 0 H THR A 10 -9.607 -22.103 -2.585 1.00 0.00 H new ATOM 0 HA THR A 10 -12.456 -21.507 -2.080 1.00 0.00 H new ATOM 0 HB THR A 10 -12.039 -22.755 0.079 1.00 0.00 H new ATOM 0 HG1 THR A 10 -10.119 -24.117 0.094 1.00 0.00 H new ATOM 0 HG21 THR A 10 -12.090 -25.011 -0.927 1.00 0.00 H new ATOM 0 HG22 THR A 10 -13.132 -23.872 -1.812 1.00 0.00 H new ATOM 0 HG23 THR A 10 -11.546 -24.327 -2.477 1.00 0.00 H new ATOM 176 N GLY A 11 -9.811 -20.472 -0.366 1.00 0.00 N ATOM 177 CA GLY A 11 -9.354 -19.454 0.563 1.00 0.00 C ATOM 178 C GLY A 11 -9.048 -18.126 -0.102 1.00 0.00 C ATOM 179 O GLY A 11 -8.450 -18.076 -1.184 1.00 0.00 O ATOM 0 H GLY A 11 -9.104 -21.163 -0.619 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.116 -19.302 1.328 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.459 -19.812 1.072 1.00 0.00 H new ATOM 183 N HIS A 12 -9.470 -17.047 0.544 1.00 0.00 N ATOM 184 CA HIS A 12 -9.168 -15.692 0.099 1.00 0.00 C ATOM 185 C HIS A 12 -8.578 -14.918 1.273 1.00 0.00 C ATOM 186 O HIS A 12 -9.233 -14.753 2.306 1.00 0.00 O ATOM 187 CB HIS A 12 -10.436 -14.988 -0.408 1.00 0.00 C ATOM 188 CG HIS A 12 -11.208 -15.780 -1.419 1.00 0.00 C ATOM 189 ND1 HIS A 12 -12.374 -16.447 -1.110 1.00 0.00 N ATOM 190 CD2 HIS A 12 -10.981 -16.012 -2.733 1.00 0.00 C ATOM 191 CE1 HIS A 12 -12.829 -17.056 -2.187 1.00 0.00 C ATOM 192 NE2 HIS A 12 -12.003 -16.809 -3.186 1.00 0.00 N ATOM 0 H HIS A 12 -10.033 -17.086 1.394 1.00 0.00 H new ATOM 0 HA HIS A 12 -8.455 -15.732 -0.724 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -11.084 -14.772 0.441 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -10.157 -14.030 -0.847 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -10.151 -15.640 -3.316 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -13.726 -17.655 -2.242 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -12.107 -17.154 -4.140 1.00 0.00 H new ATOM 201 N SER A 13 -7.345 -14.457 1.128 1.00 0.00 N ATOM 202 CA SER A 13 -6.654 -13.776 2.215 1.00 0.00 C ATOM 203 C SER A 13 -5.818 -12.625 1.668 1.00 0.00 C ATOM 204 O SER A 13 -5.538 -12.564 0.470 1.00 0.00 O ATOM 205 CB SER A 13 -5.773 -14.777 2.976 1.00 0.00 C ATOM 206 OG SER A 13 -5.206 -14.197 4.142 1.00 0.00 O ATOM 0 H SER A 13 -6.802 -14.541 0.269 1.00 0.00 H new ATOM 0 HA SER A 13 -7.389 -13.363 2.906 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.368 -15.647 3.255 1.00 0.00 H new ATOM 0 HB3 SER A 13 -4.977 -15.132 2.322 1.00 0.00 H new ATOM 0 HG SER A 13 -5.808 -13.506 4.489 1.00 0.00 H new ATOM 212 N ALA A 14 -5.432 -11.709 2.546 1.00 0.00 N ATOM 213 CA ALA A 14 -4.627 -10.557 2.162 1.00 0.00 C ATOM 214 C ALA A 14 -3.586 -10.260 3.233 1.00 0.00 C ATOM 215 O ALA A 14 -3.896 -10.271 4.427 1.00 0.00 O ATOM 216 CB ALA A 14 -5.517 -9.341 1.927 1.00 0.00 C ATOM 0 H ALA A 14 -5.666 -11.743 3.538 1.00 0.00 H new ATOM 0 HA ALA A 14 -4.109 -10.788 1.231 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.901 -8.489 1.641 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.228 -9.559 1.130 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.060 -9.105 2.842 1.00 0.00 H new ATOM 222 N TYR A 15 -2.357 -10.008 2.798 1.00 0.00 N ATOM 223 CA TYR A 15 -1.254 -9.696 3.699 1.00 0.00 C ATOM 224 C TYR A 15 -0.707 -8.300 3.401 1.00 0.00 C ATOM 225 O TYR A 15 -0.068 -8.076 2.368 1.00 0.00 O ATOM 226 CB TYR A 15 -0.142 -10.749 3.566 1.00 0.00 C ATOM 227 CG TYR A 15 1.119 -10.415 4.345 1.00 0.00 C ATOM 228 CD1 TYR A 15 1.144 -10.481 5.735 1.00 0.00 C ATOM 229 CD2 TYR A 15 2.280 -10.016 3.689 1.00 0.00 C ATOM 230 CE1 TYR A 15 2.287 -10.165 6.443 1.00 0.00 C ATOM 231 CE2 TYR A 15 3.425 -9.695 4.392 1.00 0.00 C ATOM 232 CZ TYR A 15 3.423 -9.771 5.768 1.00 0.00 C ATOM 233 OH TYR A 15 4.561 -9.442 6.473 1.00 0.00 O ATOM 0 H TYR A 15 -2.097 -10.014 1.812 1.00 0.00 H new ATOM 0 HA TYR A 15 -1.624 -9.712 4.724 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.524 -11.711 3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.113 -10.863 2.512 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.255 -10.784 6.269 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.286 -9.956 2.611 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.291 -10.226 7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 15 4.317 -9.386 3.866 1.00 0.00 H new ATOM 0 HH TYR A 15 4.396 -9.556 7.432 1.00 0.00 H new ATOM 243 N VAL A 16 -0.988 -7.358 4.297 1.00 0.00 N ATOM 244 CA VAL A 16 -0.470 -6.001 4.182 1.00 0.00 C ATOM 245 C VAL A 16 1.003 -5.984 4.584 1.00 0.00 C ATOM 246 O VAL A 16 1.328 -6.057 5.772 1.00 0.00 O ATOM 247 CB VAL A 16 -1.264 -5.007 5.068 1.00 0.00 C ATOM 248 CG1 VAL A 16 -0.797 -3.571 4.830 1.00 0.00 C ATOM 249 CG2 VAL A 16 -2.766 -5.145 4.820 1.00 0.00 C ATOM 0 H VAL A 16 -1.576 -7.513 5.116 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.580 -5.684 3.145 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.070 -5.251 6.112 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.369 -2.893 5.463 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.262 -3.488 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.951 -3.307 3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.305 -4.439 5.451 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.983 -4.934 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -3.082 -6.160 5.059 1.00 0.00 H new ATOM 259 N ALA A 17 1.877 -5.891 3.583 1.00 0.00 N ATOM 260 CA ALA A 17 3.321 -6.036 3.769 1.00 0.00 C ATOM 261 C ALA A 17 3.859 -5.216 4.946 1.00 0.00 C ATOM 262 O ALA A 17 4.234 -5.770 5.974 1.00 0.00 O ATOM 263 CB ALA A 17 4.050 -5.658 2.484 1.00 0.00 C ATOM 0 H ALA A 17 1.603 -5.712 2.617 1.00 0.00 H new ATOM 0 HA ALA A 17 3.508 -7.083 4.008 1.00 0.00 H new ATOM 0 HB1 ALA A 17 5.125 -5.768 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 17 3.724 -6.312 1.675 1.00 0.00 H new ATOM 0 HB3 ALA A 17 3.823 -4.623 2.228 1.00 0.00 H new ATOM 269 N LYS A 18 3.860 -3.893 4.800 1.00 0.00 N ATOM 270 CA LYS A 18 4.516 -3.009 5.768 1.00 0.00 C ATOM 271 C LYS A 18 3.836 -3.040 7.144 1.00 0.00 C ATOM 272 O LYS A 18 4.390 -2.544 8.126 1.00 0.00 O ATOM 273 CB LYS A 18 4.582 -1.572 5.211 1.00 0.00 C ATOM 274 CG LYS A 18 3.227 -0.877 5.022 1.00 0.00 C ATOM 275 CD LYS A 18 2.810 -0.081 6.261 1.00 0.00 C ATOM 276 CE LYS A 18 1.526 0.714 6.033 1.00 0.00 C ATOM 277 NZ LYS A 18 1.205 1.586 7.194 1.00 0.00 N ATOM 0 H LYS A 18 3.415 -3.407 4.022 1.00 0.00 H new ATOM 0 HA LYS A 18 5.531 -3.378 5.918 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.191 -0.967 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.096 -1.596 4.250 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.280 -0.208 4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.465 -1.624 4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.668 -0.764 7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 18 3.613 0.602 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.631 1.325 5.137 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.699 0.026 5.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.327 2.110 7.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.080 1.000 8.044 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.983 2.259 7.348 1.00 0.00 H new ATOM 291 N LYS A 19 2.643 -3.629 7.209 1.00 0.00 N ATOM 292 CA LYS A 19 1.884 -3.716 8.461 1.00 0.00 C ATOM 293 C LYS A 19 2.042 -5.103 9.096 1.00 0.00 C ATOM 294 O LYS A 19 1.822 -5.268 10.299 1.00 0.00 O ATOM 295 CB LYS A 19 0.396 -3.414 8.191 1.00 0.00 C ATOM 296 CG LYS A 19 -0.533 -3.643 9.388 1.00 0.00 C ATOM 297 CD LYS A 19 -0.321 -2.632 10.515 1.00 0.00 C ATOM 298 CE LYS A 19 -0.865 -1.252 10.157 1.00 0.00 C ATOM 299 NZ LYS A 19 -0.787 -0.312 11.305 1.00 0.00 N ATOM 0 H LYS A 19 2.178 -4.055 6.408 1.00 0.00 H new ATOM 0 HA LYS A 19 2.276 -2.977 9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.303 -2.377 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.058 -4.036 7.362 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.568 -3.591 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.374 -4.649 9.776 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.811 -2.991 11.420 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.743 -2.555 10.737 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.302 -0.846 9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.901 -1.343 9.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -1.166 0.614 11.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.345 -0.686 12.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.205 -0.205 11.599 1.00 0.00 H new ATOM 313 N ASP A 20 2.435 -6.089 8.282 1.00 0.00 N ATOM 314 CA ASP A 20 2.542 -7.485 8.729 1.00 0.00 C ATOM 315 C ASP A 20 1.180 -8.015 9.180 1.00 0.00 C ATOM 316 O ASP A 20 1.092 -8.910 10.026 1.00 0.00 O ATOM 317 CB ASP A 20 3.584 -7.638 9.858 1.00 0.00 C ATOM 318 CG ASP A 20 5.015 -7.693 9.339 1.00 0.00 C ATOM 319 OD1 ASP A 20 5.582 -6.628 9.021 1.00 0.00 O ATOM 320 OD2 ASP A 20 5.580 -8.808 9.250 1.00 0.00 O ATOM 0 H ASP A 20 2.686 -5.946 7.304 1.00 0.00 H new ATOM 0 HA ASP A 20 2.881 -8.078 7.880 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.486 -6.803 10.552 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.372 -8.547 10.421 1.00 0.00 H new ATOM 325 N LEU A 21 0.118 -7.475 8.588 1.00 0.00 N ATOM 326 CA LEU A 21 -1.246 -7.883 8.919 1.00 0.00 C ATOM 327 C LEU A 21 -1.778 -8.822 7.843 1.00 0.00 C ATOM 328 O LEU A 21 -1.858 -8.448 6.672 1.00 0.00 O ATOM 329 CB LEU A 21 -2.155 -6.639 9.054 1.00 0.00 C ATOM 330 CG LEU A 21 -3.600 -6.873 9.565 1.00 0.00 C ATOM 331 CD1 LEU A 21 -4.213 -5.561 10.050 1.00 0.00 C ATOM 332 CD2 LEU A 21 -4.495 -7.484 8.484 1.00 0.00 C ATOM 0 H LEU A 21 0.176 -6.750 7.873 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.242 -8.410 9.873 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.667 -5.935 9.729 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.215 -6.156 8.079 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.538 -7.578 10.394 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.227 -5.743 10.405 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -3.611 -5.157 10.863 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -4.239 -4.846 9.228 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.498 -7.632 8.883 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.541 -6.812 7.627 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.084 -8.444 8.171 1.00 0.00 H new ATOM 344 N GLU A 22 -2.135 -10.037 8.242 1.00 0.00 N ATOM 345 CA GLU A 22 -2.804 -10.973 7.350 1.00 0.00 C ATOM 346 C GLU A 22 -4.183 -11.297 7.903 1.00 0.00 C ATOM 347 O GLU A 22 -4.330 -11.597 9.094 1.00 0.00 O ATOM 348 CB GLU A 22 -1.998 -12.265 7.177 1.00 0.00 C ATOM 349 CG GLU A 22 -2.644 -13.239 6.195 1.00 0.00 C ATOM 350 CD GLU A 22 -1.914 -14.565 6.100 1.00 0.00 C ATOM 351 OE1 GLU A 22 -0.946 -14.664 5.323 1.00 0.00 O ATOM 352 OE2 GLU A 22 -2.319 -15.525 6.790 1.00 0.00 O ATOM 0 H GLU A 22 -1.971 -10.397 9.182 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.893 -10.504 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.995 -12.018 6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.889 -12.752 8.146 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.675 -13.420 6.499 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.679 -12.779 5.207 1.00 0.00 H new ATOM 359 N GLU A 23 -5.192 -11.232 7.045 1.00 0.00 N ATOM 360 CA GLU A 23 -6.563 -11.487 7.460 1.00 0.00 C ATOM 361 C GLU A 23 -7.351 -12.138 6.325 1.00 0.00 C ATOM 362 O GLU A 23 -6.905 -12.145 5.172 1.00 0.00 O ATOM 363 CB GLU A 23 -7.225 -10.170 7.900 1.00 0.00 C ATOM 364 CG GLU A 23 -8.542 -10.346 8.641 1.00 0.00 C ATOM 365 CD GLU A 23 -8.421 -11.238 9.861 1.00 0.00 C ATOM 366 OE1 GLU A 23 -8.123 -10.719 10.956 1.00 0.00 O ATOM 367 OE2 GLU A 23 -8.633 -12.461 9.726 1.00 0.00 O ATOM 0 H GLU A 23 -5.086 -11.005 6.056 1.00 0.00 H new ATOM 0 HA GLU A 23 -6.558 -12.176 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.532 -9.625 8.541 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.398 -9.552 7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.913 -9.368 8.948 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -9.282 -10.768 7.961 1.00 0.00 H new ATOM 374 N LEU A 24 -8.513 -12.689 6.657 1.00 0.00 N ATOM 375 CA LEU A 24 -9.366 -13.356 5.705 1.00 0.00 C ATOM 376 C LEU A 24 -10.294 -12.345 5.020 1.00 0.00 C ATOM 377 O LEU A 24 -10.790 -11.412 5.655 1.00 0.00 O ATOM 378 CB LEU A 24 -10.157 -14.434 6.465 1.00 0.00 C ATOM 379 CG LEU A 24 -11.574 -14.697 5.969 1.00 0.00 C ATOM 380 CD1 LEU A 24 -11.562 -15.386 4.607 1.00 0.00 C ATOM 381 CD2 LEU A 24 -12.358 -15.513 6.990 1.00 0.00 C ATOM 0 H LEU A 24 -8.885 -12.680 7.607 1.00 0.00 H new ATOM 0 HA LEU A 24 -8.778 -13.825 4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -9.597 -15.368 6.418 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -10.208 -14.146 7.515 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.074 -13.736 5.847 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -12.587 -15.561 4.279 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -11.052 -14.751 3.882 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -11.039 -16.339 4.686 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.367 -15.690 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -11.859 -16.468 7.153 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -12.410 -14.965 7.931 1.00 0.00 H new ATOM 393 N ILE A 25 -10.503 -12.535 3.720 1.00 0.00 N ATOM 394 CA ILE A 25 -11.396 -11.688 2.929 1.00 0.00 C ATOM 395 C ILE A 25 -12.855 -12.103 3.138 1.00 0.00 C ATOM 396 O ILE A 25 -13.255 -13.200 2.743 1.00 0.00 O ATOM 397 CB ILE A 25 -11.038 -11.774 1.423 1.00 0.00 C ATOM 398 CG1 ILE A 25 -9.639 -11.178 1.179 1.00 0.00 C ATOM 399 CG2 ILE A 25 -12.093 -11.076 0.563 1.00 0.00 C ATOM 400 CD1 ILE A 25 -9.157 -11.294 -0.254 1.00 0.00 C ATOM 0 H ILE A 25 -10.059 -13.280 3.184 1.00 0.00 H new ATOM 0 HA ILE A 25 -11.269 -10.658 3.264 1.00 0.00 H new ATOM 0 HB ILE A 25 -11.024 -12.824 1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -9.650 -10.126 1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -8.924 -11.678 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -11.815 -11.153 -0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -13.061 -11.552 0.718 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -12.156 -10.025 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -8.165 -10.851 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -9.111 -12.345 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -9.848 -10.769 -0.914 1.00 0.00 H new ATOM 412 N VAL A 26 -13.641 -11.227 3.762 1.00 0.00 N ATOM 413 CA VAL A 26 -15.038 -11.531 4.078 1.00 0.00 C ATOM 414 C VAL A 26 -16.006 -10.771 3.168 1.00 0.00 C ATOM 415 O VAL A 26 -17.118 -11.234 2.910 1.00 0.00 O ATOM 416 CB VAL A 26 -15.366 -11.209 5.559 1.00 0.00 C ATOM 417 CG1 VAL A 26 -14.518 -12.068 6.495 1.00 0.00 C ATOM 418 CG2 VAL A 26 -15.164 -9.721 5.853 1.00 0.00 C ATOM 0 H VAL A 26 -13.335 -10.300 4.059 1.00 0.00 H new ATOM 0 HA VAL A 26 -15.167 -12.600 3.908 1.00 0.00 H new ATOM 0 HB VAL A 26 -16.416 -11.445 5.734 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.762 -11.828 7.530 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -14.724 -13.122 6.308 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.462 -11.868 6.315 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -15.401 -9.521 6.898 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.127 -9.449 5.657 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -15.821 -9.131 5.213 1.00 0.00 H new ATOM 428 N GLU A 27 -15.577 -9.613 2.675 1.00 0.00 N ATOM 429 CA GLU A 27 -16.426 -8.762 1.844 1.00 0.00 C ATOM 430 C GLU A 27 -15.604 -8.209 0.684 1.00 0.00 C ATOM 431 O GLU A 27 -14.486 -7.748 0.887 1.00 0.00 O ATOM 432 CB GLU A 27 -17.017 -7.631 2.712 1.00 0.00 C ATOM 433 CG GLU A 27 -18.023 -6.716 2.007 1.00 0.00 C ATOM 434 CD GLU A 27 -17.370 -5.613 1.185 1.00 0.00 C ATOM 435 OE1 GLU A 27 -16.706 -4.742 1.777 1.00 0.00 O ATOM 436 OE2 GLU A 27 -17.536 -5.596 -0.051 1.00 0.00 O ATOM 0 H GLU A 27 -14.642 -9.240 2.837 1.00 0.00 H new ATOM 0 HA GLU A 27 -17.253 -9.338 1.428 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -17.504 -8.078 3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.197 -7.019 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -18.655 -7.319 1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -18.676 -6.264 2.754 1.00 0.00 H new ATOM 443 N MET A 28 -16.148 -8.275 -0.527 1.00 0.00 N ATOM 444 CA MET A 28 -15.438 -7.813 -1.722 1.00 0.00 C ATOM 445 C MET A 28 -16.395 -7.137 -2.703 1.00 0.00 C ATOM 446 O MET A 28 -17.570 -7.498 -2.791 1.00 0.00 O ATOM 447 CB MET A 28 -14.692 -8.981 -2.397 1.00 0.00 C ATOM 448 CG MET A 28 -15.487 -10.282 -2.484 1.00 0.00 C ATOM 449 SD MET A 28 -17.036 -10.119 -3.397 1.00 0.00 S ATOM 450 CE MET A 28 -17.636 -11.808 -3.365 1.00 0.00 C ATOM 0 H MET A 28 -17.081 -8.645 -0.710 1.00 0.00 H new ATOM 0 HA MET A 28 -14.701 -7.072 -1.412 1.00 0.00 H new ATOM 0 HB2 MET A 28 -14.406 -8.678 -3.404 1.00 0.00 H new ATOM 0 HB3 MET A 28 -13.770 -9.171 -1.848 1.00 0.00 H new ATOM 0 HG2 MET A 28 -14.871 -11.044 -2.962 1.00 0.00 H new ATOM 0 HG3 MET A 28 -15.704 -10.634 -1.476 1.00 0.00 H new ATOM 0 HE1 MET A 28 -18.589 -11.866 -3.892 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.912 -12.461 -3.852 1.00 0.00 H new ATOM 0 HE3 MET A 28 -17.773 -12.126 -2.331 1.00 0.00 H new ATOM 460 N GLU A 29 -15.882 -6.138 -3.416 1.00 0.00 N ATOM 461 CA GLU A 29 -16.666 -5.389 -4.394 1.00 0.00 C ATOM 462 C GLU A 29 -17.031 -6.291 -5.570 1.00 0.00 C ATOM 463 O GLU A 29 -18.203 -6.594 -5.798 1.00 0.00 O ATOM 464 CB GLU A 29 -15.858 -4.163 -4.873 1.00 0.00 C ATOM 465 CG GLU A 29 -16.640 -3.139 -5.701 1.00 0.00 C ATOM 466 CD GLU A 29 -17.025 -3.632 -7.090 1.00 0.00 C ATOM 467 OE1 GLU A 29 -16.123 -3.806 -7.940 1.00 0.00 O ATOM 468 OE2 GLU A 29 -18.232 -3.832 -7.345 1.00 0.00 O ATOM 0 H GLU A 29 -14.915 -5.826 -3.333 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.589 -5.040 -3.932 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -15.445 -3.658 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -15.014 -4.515 -5.466 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -17.545 -2.864 -5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -16.041 -2.234 -5.801 1.00 0.00 H new ATOM 475 N ASN A 30 -16.012 -6.723 -6.302 1.00 0.00 N ATOM 476 CA ASN A 30 -16.206 -7.546 -7.489 1.00 0.00 C ATOM 477 C ASN A 30 -16.559 -8.977 -7.086 1.00 0.00 C ATOM 478 O ASN A 30 -15.965 -9.514 -6.152 1.00 0.00 O ATOM 479 CB ASN A 30 -14.935 -7.535 -8.353 1.00 0.00 C ATOM 480 CG ASN A 30 -15.119 -8.243 -9.685 1.00 0.00 C ATOM 481 OD1 ASN A 30 -14.879 -9.447 -9.804 1.00 0.00 O ATOM 482 ND2 ASN A 30 -15.544 -7.503 -10.698 1.00 0.00 N ATOM 0 H ASN A 30 -15.036 -6.515 -6.092 1.00 0.00 H new ATOM 0 HA ASN A 30 -17.030 -7.134 -8.072 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.634 -6.503 -8.534 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -14.124 -8.012 -7.803 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -15.683 -7.926 -11.616 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -15.732 -6.510 -10.561 1.00 0.00 H new ATOM 489 N PRO A 31 -17.529 -9.612 -7.787 1.00 0.00 N ATOM 490 CA PRO A 31 -17.967 -10.993 -7.509 1.00 0.00 C ATOM 491 C PRO A 31 -16.798 -11.965 -7.329 1.00 0.00 C ATOM 492 O PRO A 31 -16.931 -12.999 -6.668 1.00 0.00 O ATOM 493 CB PRO A 31 -18.804 -11.367 -8.753 1.00 0.00 C ATOM 494 CG PRO A 31 -18.584 -10.255 -9.730 1.00 0.00 C ATOM 495 CD PRO A 31 -18.294 -9.039 -8.902 1.00 0.00 C ATOM 0 HA PRO A 31 -18.522 -11.056 -6.573 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -18.485 -12.323 -9.168 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -19.860 -11.465 -8.501 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.754 -10.480 -10.399 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -19.464 -10.103 -10.355 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -17.718 -8.296 -9.454 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -19.206 -8.548 -8.563 1.00 0.00 H new ATOM 503 N ALA A 32 -15.660 -11.642 -7.940 1.00 0.00 N ATOM 504 CA ALA A 32 -14.434 -12.403 -7.735 1.00 0.00 C ATOM 505 C ALA A 32 -13.607 -11.763 -6.629 1.00 0.00 C ATOM 506 O ALA A 32 -13.460 -12.332 -5.543 1.00 0.00 O ATOM 507 CB ALA A 32 -13.615 -12.480 -9.016 1.00 0.00 C ATOM 0 H ALA A 32 -15.564 -10.856 -8.583 1.00 0.00 H new ATOM 0 HA ALA A 32 -14.707 -13.417 -7.444 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.706 -13.053 -8.833 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -14.202 -12.968 -9.794 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -13.350 -11.473 -9.339 1.00 0.00 H new ATOM 513 N LEU A 33 -13.080 -10.570 -6.919 1.00 0.00 N ATOM 514 CA LEU A 33 -12.205 -9.857 -5.991 1.00 0.00 C ATOM 515 C LEU A 33 -11.648 -8.593 -6.643 1.00 0.00 C ATOM 516 O LEU A 33 -11.920 -7.471 -6.211 1.00 0.00 O ATOM 517 CB LEU A 33 -11.035 -10.759 -5.567 1.00 0.00 C ATOM 518 CG LEU A 33 -10.154 -10.204 -4.435 1.00 0.00 C ATOM 519 CD1 LEU A 33 -10.979 -9.970 -3.171 1.00 0.00 C ATOM 520 CD2 LEU A 33 -8.983 -11.143 -4.153 1.00 0.00 C ATOM 0 H LEU A 33 -13.247 -10.077 -7.796 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.792 -9.581 -5.115 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -11.436 -11.723 -5.254 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.406 -10.943 -6.438 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.750 -9.244 -4.757 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.335 -9.577 -2.384 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.773 -9.253 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.419 -10.912 -2.844 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -8.372 -10.732 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -9.364 -12.120 -3.856 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -8.376 -11.248 -5.052 1.00 0.00 H new ATOM 532 N TRP A 34 -10.874 -8.799 -7.702 1.00 0.00 N ATOM 533 CA TRP A 34 -10.122 -7.729 -8.348 1.00 0.00 C ATOM 534 C TRP A 34 -11.035 -6.840 -9.186 1.00 0.00 C ATOM 535 O TRP A 34 -11.876 -7.334 -9.940 1.00 0.00 O ATOM 536 CB TRP A 34 -9.019 -8.334 -9.222 1.00 0.00 C ATOM 537 CG TRP A 34 -8.128 -9.274 -8.464 1.00 0.00 C ATOM 538 CD1 TRP A 34 -8.309 -10.618 -8.278 1.00 0.00 C ATOM 539 CD2 TRP A 34 -6.922 -8.936 -7.778 1.00 0.00 C ATOM 540 NE1 TRP A 34 -7.289 -11.129 -7.515 1.00 0.00 N ATOM 541 CE2 TRP A 34 -6.423 -10.118 -7.201 1.00 0.00 C ATOM 542 CE3 TRP A 34 -6.215 -7.747 -7.601 1.00 0.00 C ATOM 543 CZ2 TRP A 34 -5.250 -10.140 -6.457 1.00 0.00 C ATOM 544 CZ3 TRP A 34 -5.051 -7.772 -6.864 1.00 0.00 C ATOM 545 CH2 TRP A 34 -4.578 -8.960 -6.300 1.00 0.00 C ATOM 0 H TRP A 34 -10.750 -9.713 -8.138 1.00 0.00 H new ATOM 0 HA TRP A 34 -9.672 -7.106 -7.575 1.00 0.00 H new ATOM 0 HB2 TRP A 34 -9.474 -8.866 -10.057 1.00 0.00 H new ATOM 0 HB3 TRP A 34 -8.416 -7.531 -9.646 1.00 0.00 H new ATOM 0 HD1 TRP A 34 -9.134 -11.192 -8.674 1.00 0.00 H new ATOM 0 HE1 TRP A 34 -7.193 -12.103 -7.229 1.00 0.00 H new ATOM 0 HE3 TRP A 34 -6.573 -6.824 -8.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 34 -4.882 -11.056 -6.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 34 -4.495 -6.858 -6.720 1.00 0.00 H new ATOM 0 HH2 TRP A 34 -3.662 -8.945 -5.728 1.00 0.00 H new ATOM 556 N GLY A 35 -10.855 -5.526 -9.055 1.00 0.00 N ATOM 557 CA GLY A 35 -11.679 -4.577 -9.786 1.00 0.00 C ATOM 558 C GLY A 35 -12.194 -3.468 -8.895 1.00 0.00 C ATOM 559 O GLY A 35 -12.699 -2.456 -9.382 1.00 0.00 O ATOM 0 H GLY A 35 -10.150 -5.101 -8.453 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -11.099 -4.146 -10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.522 -5.101 -10.237 1.00 0.00 H new ATOM 563 N GLY A 36 -12.071 -3.659 -7.585 1.00 0.00 N ATOM 564 CA GLY A 36 -12.511 -2.647 -6.647 1.00 0.00 C ATOM 565 C GLY A 36 -12.051 -2.919 -5.231 1.00 0.00 C ATOM 566 O GLY A 36 -11.011 -3.536 -5.021 1.00 0.00 O ATOM 0 H GLY A 36 -11.675 -4.496 -7.158 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -12.135 -1.675 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -13.599 -2.590 -6.666 1.00 0.00 H new ATOM 570 N LYS A 37 -12.836 -2.462 -4.265 1.00 0.00 N ATOM 571 CA LYS A 37 -12.458 -2.522 -2.853 1.00 0.00 C ATOM 572 C LYS A 37 -12.816 -3.858 -2.203 1.00 0.00 C ATOM 573 O LYS A 37 -13.620 -4.632 -2.725 1.00 0.00 O ATOM 574 CB LYS A 37 -13.077 -1.337 -2.079 1.00 0.00 C ATOM 575 CG LYS A 37 -14.551 -1.050 -2.391 1.00 0.00 C ATOM 576 CD LYS A 37 -15.517 -2.013 -1.699 1.00 0.00 C ATOM 577 CE LYS A 37 -15.501 -1.845 -0.184 1.00 0.00 C ATOM 578 NZ LYS A 37 -16.678 -2.489 0.457 1.00 0.00 N ATOM 0 H LYS A 37 -13.749 -2.040 -4.433 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.372 -2.442 -2.806 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.980 -1.531 -1.011 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -12.496 -0.440 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -14.787 -0.030 -2.088 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.704 -1.106 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -16.527 -1.844 -2.072 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -15.251 -3.039 -1.953 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -14.586 -2.278 0.220 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -15.488 -0.784 0.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -17.082 -1.846 1.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -17.395 -2.700 -0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.382 -3.372 0.919 1.00 0.00 H new ATOM 592 N VAL A 38 -12.194 -4.108 -1.055 1.00 0.00 N ATOM 593 CA VAL A 38 -12.377 -5.339 -0.299 1.00 0.00 C ATOM 594 C VAL A 38 -12.265 -5.033 1.195 1.00 0.00 C ATOM 595 O VAL A 38 -11.689 -4.011 1.582 1.00 0.00 O ATOM 596 CB VAL A 38 -11.315 -6.405 -0.698 1.00 0.00 C ATOM 597 CG1 VAL A 38 -9.913 -5.996 -0.244 1.00 0.00 C ATOM 598 CG2 VAL A 38 -11.679 -7.779 -0.148 1.00 0.00 C ATOM 0 H VAL A 38 -11.543 -3.454 -0.620 1.00 0.00 H new ATOM 0 HA VAL A 38 -13.364 -5.743 -0.525 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.310 -6.465 -1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -9.197 -6.763 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.642 -5.048 -0.709 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -9.900 -5.885 0.840 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -10.919 -8.502 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.733 -7.733 0.940 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -12.646 -8.086 -0.547 1.00 0.00 H new ATOM 608 N THR A 39 -12.818 -5.907 2.024 1.00 0.00 N ATOM 609 CA THR A 39 -12.762 -5.744 3.468 1.00 0.00 C ATOM 610 C THR A 39 -12.357 -7.058 4.132 1.00 0.00 C ATOM 611 O THR A 39 -12.935 -8.118 3.857 1.00 0.00 O ATOM 612 CB THR A 39 -14.120 -5.272 4.032 1.00 0.00 C ATOM 613 OG1 THR A 39 -14.548 -4.099 3.329 1.00 0.00 O ATOM 614 CG2 THR A 39 -14.027 -4.967 5.526 1.00 0.00 C ATOM 0 H THR A 39 -13.315 -6.743 1.717 1.00 0.00 H new ATOM 0 HA THR A 39 -12.015 -4.981 3.689 1.00 0.00 H new ATOM 0 HB THR A 39 -14.843 -6.076 3.894 1.00 0.00 H new ATOM 0 HG1 THR A 39 -15.409 -4.274 2.895 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.000 -4.637 5.891 1.00 0.00 H new ATOM 0 HG22 THR A 39 -13.723 -5.866 6.063 1.00 0.00 H new ATOM 0 HG23 THR A 39 -13.292 -4.180 5.692 1.00 0.00 H new ATOM 622 N LEU A 40 -11.343 -6.979 4.983 1.00 0.00 N ATOM 623 CA LEU A 40 -10.851 -8.132 5.721 1.00 0.00 C ATOM 624 C LEU A 40 -11.720 -8.381 6.950 1.00 0.00 C ATOM 625 O LEU A 40 -12.488 -7.510 7.359 1.00 0.00 O ATOM 626 CB LEU A 40 -9.388 -7.911 6.142 1.00 0.00 C ATOM 627 CG LEU A 40 -8.344 -7.936 5.006 1.00 0.00 C ATOM 628 CD1 LEU A 40 -8.454 -9.228 4.203 1.00 0.00 C ATOM 629 CD2 LEU A 40 -8.478 -6.716 4.096 1.00 0.00 C ATOM 0 H LEU A 40 -10.839 -6.114 5.180 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.900 -9.007 5.073 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.319 -6.949 6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.121 -8.677 6.870 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.355 -7.898 5.462 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.709 -9.226 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.281 -10.080 4.860 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.451 -9.302 3.768 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.727 -6.766 3.307 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.473 -6.702 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.330 -5.808 4.681 1.00 0.00 H new ATOM 641 N ALA A 41 -11.574 -9.560 7.548 1.00 0.00 N ATOM 642 CA ALA A 41 -12.356 -9.934 8.732 1.00 0.00 C ATOM 643 C ALA A 41 -12.062 -8.997 9.907 1.00 0.00 C ATOM 644 O ALA A 41 -12.851 -8.888 10.847 1.00 0.00 O ATOM 645 CB ALA A 41 -12.064 -11.383 9.116 1.00 0.00 C ATOM 0 H ALA A 41 -10.921 -10.278 7.234 1.00 0.00 H new ATOM 0 HA ALA A 41 -13.414 -9.839 8.487 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.649 -11.651 9.996 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.332 -12.040 8.288 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -11.003 -11.494 9.338 1.00 0.00 H new ATOM 651 N ASN A 42 -10.925 -8.311 9.828 1.00 0.00 N ATOM 652 CA ASN A 42 -10.483 -7.389 10.877 1.00 0.00 C ATOM 653 C ASN A 42 -11.137 -6.017 10.696 1.00 0.00 C ATOM 654 O ASN A 42 -10.967 -5.117 11.519 1.00 0.00 O ATOM 655 CB ASN A 42 -8.952 -7.251 10.831 1.00 0.00 C ATOM 656 CG ASN A 42 -8.388 -6.441 11.989 1.00 0.00 C ATOM 657 OD1 ASN A 42 -8.904 -6.487 13.107 1.00 0.00 O ATOM 658 ND2 ASN A 42 -7.326 -5.692 11.731 1.00 0.00 N ATOM 0 H ASN A 42 -10.283 -8.376 9.038 1.00 0.00 H new ATOM 0 HA ASN A 42 -10.782 -7.789 11.846 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.504 -8.245 10.839 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.664 -6.779 9.892 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.908 -5.128 12.471 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.926 -5.680 10.793 1.00 0.00 H new ATOM 665 N GLY A 43 -11.893 -5.864 9.610 1.00 0.00 N ATOM 666 CA GLY A 43 -12.498 -4.581 9.291 1.00 0.00 C ATOM 667 C GLY A 43 -11.577 -3.711 8.456 1.00 0.00 C ATOM 668 O GLY A 43 -11.923 -2.581 8.102 1.00 0.00 O ATOM 0 H GLY A 43 -12.098 -6.609 8.944 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.431 -4.744 8.751 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.751 -4.060 10.214 1.00 0.00 H new ATOM 672 N TRP A 44 -10.396 -4.243 8.147 1.00 0.00 N ATOM 673 CA TRP A 44 -9.413 -3.540 7.329 1.00 0.00 C ATOM 674 C TRP A 44 -9.948 -3.366 5.909 1.00 0.00 C ATOM 675 O TRP A 44 -10.280 -4.348 5.242 1.00 0.00 O ATOM 676 CB TRP A 44 -8.084 -4.314 7.310 1.00 0.00 C ATOM 677 CG TRP A 44 -6.975 -3.603 6.586 1.00 0.00 C ATOM 678 CD1 TRP A 44 -6.721 -3.623 5.243 1.00 0.00 C ATOM 679 CD2 TRP A 44 -5.964 -2.771 7.171 1.00 0.00 C ATOM 680 NE1 TRP A 44 -5.621 -2.853 4.959 1.00 0.00 N ATOM 681 CE2 TRP A 44 -5.137 -2.321 6.126 1.00 0.00 C ATOM 682 CE3 TRP A 44 -5.682 -2.364 8.479 1.00 0.00 C ATOM 683 CZ2 TRP A 44 -4.046 -1.483 6.347 1.00 0.00 C ATOM 684 CZ3 TRP A 44 -4.598 -1.533 8.697 1.00 0.00 C ATOM 685 CH2 TRP A 44 -3.792 -1.101 7.636 1.00 0.00 C ATOM 0 H TRP A 44 -10.096 -5.168 8.455 1.00 0.00 H new ATOM 0 HA TRP A 44 -9.232 -2.555 7.760 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -7.771 -4.504 8.337 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -8.247 -5.285 6.841 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -7.302 -4.166 4.512 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -5.227 -2.701 4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -6.299 -2.692 9.303 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -3.424 -1.147 5.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -4.369 -1.212 9.702 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.952 -0.453 7.840 1.00 0.00 H new ATOM 696 N GLN A 45 -10.041 -2.122 5.463 1.00 0.00 N ATOM 697 CA GLN A 45 -10.558 -1.814 4.134 1.00 0.00 C ATOM 698 C GLN A 45 -9.413 -1.539 3.165 1.00 0.00 C ATOM 699 O GLN A 45 -8.619 -0.614 3.367 1.00 0.00 O ATOM 700 CB GLN A 45 -11.498 -0.607 4.196 1.00 0.00 C ATOM 701 CG GLN A 45 -12.736 -0.835 5.053 1.00 0.00 C ATOM 702 CD GLN A 45 -13.608 0.402 5.145 1.00 0.00 C ATOM 703 OE1 GLN A 45 -13.437 1.229 6.040 1.00 0.00 O ATOM 704 NE2 GLN A 45 -14.544 0.540 4.221 1.00 0.00 N ATOM 0 H GLN A 45 -9.764 -1.303 6.005 1.00 0.00 H new ATOM 0 HA GLN A 45 -11.118 -2.677 3.774 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -10.949 0.249 4.588 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -11.811 -0.349 3.184 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -13.318 -1.657 4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -12.431 -1.137 6.055 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -14.653 -0.169 3.496 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -15.157 1.355 4.234 1.00 0.00 H new ATOM 713 N LEU A 46 -9.340 -2.340 2.111 1.00 0.00 N ATOM 714 CA LEU A 46 -8.285 -2.218 1.113 1.00 0.00 C ATOM 715 C LEU A 46 -8.901 -2.190 -0.281 1.00 0.00 C ATOM 716 O LEU A 46 -9.803 -2.967 -0.576 1.00 0.00 O ATOM 717 CB LEU A 46 -7.308 -3.395 1.238 1.00 0.00 C ATOM 718 CG LEU A 46 -6.129 -3.380 0.253 1.00 0.00 C ATOM 719 CD1 LEU A 46 -5.247 -2.154 0.485 1.00 0.00 C ATOM 720 CD2 LEU A 46 -5.317 -4.667 0.369 1.00 0.00 C ATOM 0 H LEU A 46 -10.006 -3.089 1.924 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.737 -1.290 1.278 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.911 -3.410 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.863 -4.323 1.099 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.527 -3.321 -0.760 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.418 -2.163 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -5.837 -1.249 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.856 -2.175 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.486 -4.638 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.929 -4.762 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.955 -5.521 0.143 1.00 0.00 H new ATOM 732 N GLU A 47 -8.437 -1.283 -1.127 1.00 0.00 N ATOM 733 CA GLU A 47 -8.960 -1.176 -2.481 1.00 0.00 C ATOM 734 C GLU A 47 -7.973 -1.761 -3.484 1.00 0.00 C ATOM 735 O GLU A 47 -6.794 -1.392 -3.500 1.00 0.00 O ATOM 736 CB GLU A 47 -9.271 0.284 -2.830 1.00 0.00 C ATOM 737 CG GLU A 47 -10.127 0.442 -4.078 1.00 0.00 C ATOM 738 CD GLU A 47 -10.352 1.895 -4.456 1.00 0.00 C ATOM 739 OE1 GLU A 47 -11.332 2.500 -3.969 1.00 0.00 O ATOM 740 OE2 GLU A 47 -9.556 2.432 -5.255 1.00 0.00 O ATOM 0 H GLU A 47 -7.702 -0.613 -0.902 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.887 -1.747 -2.532 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.782 0.749 -1.987 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.334 0.823 -2.971 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.648 -0.075 -4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.091 -0.040 -3.915 1.00 0.00 H new ATOM 747 N LEU A 48 -8.460 -2.689 -4.302 1.00 0.00 N ATOM 748 CA LEU A 48 -7.653 -3.297 -5.348 1.00 0.00 C ATOM 749 C LEU A 48 -7.524 -2.337 -6.530 1.00 0.00 C ATOM 750 O LEU A 48 -8.512 -1.731 -6.952 1.00 0.00 O ATOM 751 CB LEU A 48 -8.264 -4.633 -5.814 1.00 0.00 C ATOM 752 CG LEU A 48 -8.191 -5.798 -4.803 1.00 0.00 C ATOM 753 CD1 LEU A 48 -6.765 -5.983 -4.287 1.00 0.00 C ATOM 754 CD2 LEU A 48 -9.163 -5.588 -3.646 1.00 0.00 C ATOM 0 H LEU A 48 -9.418 -3.037 -4.257 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.663 -3.502 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.310 -4.463 -6.068 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -7.760 -4.941 -6.730 1.00 0.00 H new ATOM 0 HG LEU A 48 -8.485 -6.709 -5.325 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -6.739 -6.809 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.101 -6.203 -5.123 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -6.436 -5.069 -3.793 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.088 -6.425 -2.951 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.916 -4.662 -3.127 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -10.180 -5.527 -4.032 1.00 0.00 H new ATOM 766 N PRO A 49 -6.310 -2.198 -7.094 1.00 0.00 N ATOM 767 CA PRO A 49 -6.042 -1.257 -8.187 1.00 0.00 C ATOM 768 C PRO A 49 -6.448 -1.806 -9.556 1.00 0.00 C ATOM 769 O PRO A 49 -5.860 -1.441 -10.576 1.00 0.00 O ATOM 770 CB PRO A 49 -4.524 -1.073 -8.099 1.00 0.00 C ATOM 771 CG PRO A 49 -4.021 -2.393 -7.615 1.00 0.00 C ATOM 772 CD PRO A 49 -5.090 -2.940 -6.699 1.00 0.00 C ATOM 0 HA PRO A 49 -6.612 -0.333 -8.090 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.097 -0.816 -9.069 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.260 -0.270 -7.411 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.839 -3.070 -8.449 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.075 -2.279 -7.085 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -5.216 -4.015 -6.829 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.842 -2.773 -5.651 1.00 0.00 H new ATOM 780 N ALA A 50 -7.469 -2.665 -9.560 1.00 0.00 N ATOM 781 CA ALA A 50 -7.985 -3.279 -10.782 1.00 0.00 C ATOM 782 C ALA A 50 -6.928 -4.150 -11.463 1.00 0.00 C ATOM 783 O ALA A 50 -5.984 -3.648 -12.072 1.00 0.00 O ATOM 784 CB ALA A 50 -8.513 -2.213 -11.740 1.00 0.00 C ATOM 0 H ALA A 50 -7.961 -2.954 -8.715 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.813 -3.930 -10.502 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.892 -2.691 -12.643 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -9.318 -1.657 -11.258 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.706 -1.529 -12.003 1.00 0.00 H new ATOM 790 N MET A 51 -7.090 -5.460 -11.333 1.00 0.00 N ATOM 791 CA MET A 51 -6.189 -6.431 -11.950 1.00 0.00 C ATOM 792 C MET A 51 -7.006 -7.591 -12.508 1.00 0.00 C ATOM 793 O MET A 51 -8.240 -7.567 -12.449 1.00 0.00 O ATOM 794 CB MET A 51 -5.165 -6.961 -10.930 1.00 0.00 C ATOM 795 CG MET A 51 -4.210 -5.904 -10.389 1.00 0.00 C ATOM 796 SD MET A 51 -3.219 -5.134 -11.685 1.00 0.00 S ATOM 797 CE MET A 51 -2.196 -4.022 -10.722 1.00 0.00 C ATOM 0 H MET A 51 -7.849 -5.882 -10.798 1.00 0.00 H new ATOM 0 HA MET A 51 -5.644 -5.938 -12.755 1.00 0.00 H new ATOM 0 HB2 MET A 51 -5.702 -7.410 -10.094 1.00 0.00 H new ATOM 0 HB3 MET A 51 -4.582 -7.755 -11.398 1.00 0.00 H new ATOM 0 HG2 MET A 51 -4.782 -5.135 -9.869 1.00 0.00 H new ATOM 0 HG3 MET A 51 -3.548 -6.361 -9.654 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.288 -3.788 -11.279 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.746 -3.102 -10.523 1.00 0.00 H new ATOM 0 HE3 MET A 51 -1.930 -4.498 -9.778 1.00 0.00 H new ATOM 807 N ALA A 52 -6.321 -8.596 -13.044 1.00 0.00 N ATOM 808 CA ALA A 52 -6.985 -9.791 -13.557 1.00 0.00 C ATOM 809 C ALA A 52 -7.776 -10.478 -12.450 1.00 0.00 C ATOM 810 O ALA A 52 -7.221 -10.830 -11.408 1.00 0.00 O ATOM 811 CB ALA A 52 -5.966 -10.759 -14.149 1.00 0.00 C ATOM 0 H ALA A 52 -5.305 -8.607 -13.135 1.00 0.00 H new ATOM 0 HA ALA A 52 -7.675 -9.486 -14.344 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -6.480 -11.643 -14.526 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.434 -10.272 -14.967 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.254 -11.054 -13.378 1.00 0.00 H new ATOM 817 N ALA A 53 -9.076 -10.647 -12.672 1.00 0.00 N ATOM 818 CA ALA A 53 -9.923 -11.360 -11.724 1.00 0.00 C ATOM 819 C ALA A 53 -9.449 -12.803 -11.592 1.00 0.00 C ATOM 820 O ALA A 53 -9.435 -13.373 -10.494 1.00 0.00 O ATOM 821 CB ALA A 53 -11.380 -11.311 -12.164 1.00 0.00 C ATOM 0 H ALA A 53 -9.564 -10.301 -13.498 1.00 0.00 H new ATOM 0 HA ALA A 53 -9.849 -10.875 -10.751 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.996 -11.849 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -11.709 -10.273 -12.219 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.480 -11.776 -13.145 1.00 0.00 H new ATOM 827 N ASP A 54 -9.045 -13.377 -12.724 1.00 0.00 N ATOM 828 CA ASP A 54 -8.507 -14.730 -12.755 1.00 0.00 C ATOM 829 C ASP A 54 -7.137 -14.761 -12.085 1.00 0.00 C ATOM 830 O ASP A 54 -6.115 -14.450 -12.700 1.00 0.00 O ATOM 831 CB ASP A 54 -8.408 -15.254 -14.194 1.00 0.00 C ATOM 832 CG ASP A 54 -7.855 -16.671 -14.261 1.00 0.00 C ATOM 833 OD1 ASP A 54 -8.515 -17.596 -13.739 1.00 0.00 O ATOM 834 OD2 ASP A 54 -6.761 -16.868 -14.831 1.00 0.00 O ATOM 0 H ASP A 54 -9.082 -12.920 -13.635 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.188 -15.381 -12.207 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.396 -15.231 -14.655 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.769 -14.590 -14.776 1.00 0.00 H new ATOM 839 N THR A 55 -7.139 -15.101 -10.806 1.00 0.00 N ATOM 840 CA THR A 55 -5.922 -15.182 -10.014 1.00 0.00 C ATOM 841 C THR A 55 -5.882 -16.499 -9.237 1.00 0.00 C ATOM 842 O THR A 55 -6.403 -16.589 -8.123 1.00 0.00 O ATOM 843 CB THR A 55 -5.820 -13.984 -9.038 1.00 0.00 C ATOM 844 OG1 THR A 55 -7.122 -13.687 -8.498 1.00 0.00 O ATOM 845 CG2 THR A 55 -5.255 -12.748 -9.734 1.00 0.00 C ATOM 0 H THR A 55 -7.987 -15.329 -10.287 1.00 0.00 H new ATOM 0 HA THR A 55 -5.070 -15.146 -10.693 1.00 0.00 H new ATOM 0 HB THR A 55 -5.140 -14.258 -8.232 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.334 -12.743 -8.655 1.00 0.00 H new ATOM 0 HG21 THR A 55 -5.196 -11.925 -9.022 1.00 0.00 H new ATOM 0 HG22 THR A 55 -4.259 -12.969 -10.116 1.00 0.00 H new ATOM 0 HG23 THR A 55 -5.907 -12.466 -10.561 1.00 0.00 H new ATOM 853 N PRO A 56 -5.300 -17.552 -9.842 1.00 0.00 N ATOM 854 CA PRO A 56 -5.143 -18.859 -9.199 1.00 0.00 C ATOM 855 C PRO A 56 -3.863 -18.933 -8.363 1.00 0.00 C ATOM 856 O PRO A 56 -3.431 -20.015 -7.956 1.00 0.00 O ATOM 857 CB PRO A 56 -5.062 -19.799 -10.403 1.00 0.00 C ATOM 858 CG PRO A 56 -4.336 -18.997 -11.431 1.00 0.00 C ATOM 859 CD PRO A 56 -4.766 -17.563 -11.224 1.00 0.00 C ATOM 0 HA PRO A 56 -5.946 -19.094 -8.501 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.526 -20.716 -10.159 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.053 -20.091 -10.750 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -3.257 -19.101 -11.316 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -4.583 -19.337 -12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.929 -16.874 -11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -5.524 -17.264 -11.948 1.00 0.00 H new ATOM 867 N LEU A 57 -3.257 -17.774 -8.130 1.00 0.00 N ATOM 868 CA LEU A 57 -2.012 -17.678 -7.378 1.00 0.00 C ATOM 869 C LEU A 57 -1.981 -16.381 -6.563 1.00 0.00 C ATOM 870 O LEU A 57 -2.669 -15.415 -6.907 1.00 0.00 O ATOM 871 CB LEU A 57 -0.809 -17.765 -8.345 1.00 0.00 C ATOM 872 CG LEU A 57 -0.859 -16.849 -9.591 1.00 0.00 C ATOM 873 CD1 LEU A 57 -0.543 -15.395 -9.241 1.00 0.00 C ATOM 874 CD2 LEU A 57 0.095 -17.358 -10.671 1.00 0.00 C ATOM 0 H LEU A 57 -3.614 -16.876 -8.457 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.948 -18.511 -6.677 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.097 -17.531 -7.785 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.717 -18.797 -8.683 1.00 0.00 H new ATOM 0 HG LEU A 57 -1.878 -16.880 -9.978 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.589 -14.785 -10.143 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.272 -15.028 -8.518 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.457 -15.333 -8.812 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.046 -16.701 -11.539 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.113 -17.369 -10.282 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.192 -18.368 -10.964 1.00 0.00 H new ATOM 886 N PRO A 58 -1.210 -16.352 -5.458 1.00 0.00 N ATOM 887 CA PRO A 58 -1.025 -15.135 -4.661 1.00 0.00 C ATOM 888 C PRO A 58 -0.149 -14.116 -5.392 1.00 0.00 C ATOM 889 O PRO A 58 0.971 -14.431 -5.805 1.00 0.00 O ATOM 890 CB PRO A 58 -0.334 -15.645 -3.388 1.00 0.00 C ATOM 891 CG PRO A 58 0.389 -16.874 -3.824 1.00 0.00 C ATOM 892 CD PRO A 58 -0.469 -17.502 -4.893 1.00 0.00 C ATOM 0 HA PRO A 58 -1.962 -14.616 -4.460 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.354 -14.902 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -1.059 -15.867 -2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 58 1.378 -16.629 -4.211 1.00 0.00 H new ATOM 0 HG3 PRO A 58 0.535 -17.558 -2.988 1.00 0.00 H new ATOM 0 HD2 PRO A 58 0.135 -18.002 -5.650 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -1.144 -18.250 -4.478 1.00 0.00 H new ATOM 900 N ILE A 59 -0.660 -12.902 -5.555 1.00 0.00 N ATOM 901 CA ILE A 59 0.048 -11.858 -6.292 1.00 0.00 C ATOM 902 C ILE A 59 0.187 -10.588 -5.449 1.00 0.00 C ATOM 903 O ILE A 59 -0.753 -10.179 -4.758 1.00 0.00 O ATOM 904 CB ILE A 59 -0.677 -11.542 -7.628 1.00 0.00 C ATOM 905 CG1 ILE A 59 -0.002 -10.369 -8.366 1.00 0.00 C ATOM 906 CG2 ILE A 59 -2.156 -11.252 -7.385 1.00 0.00 C ATOM 907 CD1 ILE A 59 -0.656 -10.017 -9.687 1.00 0.00 C ATOM 0 H ILE A 59 -1.566 -12.614 -5.186 1.00 0.00 H new ATOM 0 HA ILE A 59 1.048 -12.228 -6.518 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.602 -12.423 -8.266 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -0.014 -9.491 -7.720 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.044 -10.619 -8.545 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.645 -11.033 -8.334 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -2.627 -12.122 -6.927 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -2.254 -10.394 -6.720 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.124 -9.183 -10.145 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.620 -10.880 -10.352 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.695 -9.735 -9.515 1.00 0.00 H new ATOM 919 N THR A 60 1.372 -9.987 -5.493 1.00 0.00 N ATOM 920 CA THR A 60 1.643 -8.745 -4.779 1.00 0.00 C ATOM 921 C THR A 60 1.332 -7.542 -5.675 1.00 0.00 C ATOM 922 O THR A 60 1.917 -7.389 -6.756 1.00 0.00 O ATOM 923 CB THR A 60 3.118 -8.689 -4.317 1.00 0.00 C ATOM 924 OG1 THR A 60 3.446 -9.892 -3.605 1.00 0.00 O ATOM 925 CG2 THR A 60 3.375 -7.481 -3.419 1.00 0.00 C ATOM 0 H THR A 60 2.167 -10.345 -6.022 1.00 0.00 H new ATOM 0 HA THR A 60 1.002 -8.711 -3.898 1.00 0.00 H new ATOM 0 HB THR A 60 3.746 -8.595 -5.203 1.00 0.00 H new ATOM 0 HG1 THR A 60 4.381 -9.856 -3.315 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.421 -7.472 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 60 3.149 -6.566 -3.967 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.738 -7.542 -2.536 1.00 0.00 H new ATOM 933 N VAL A 61 0.403 -6.699 -5.229 1.00 0.00 N ATOM 934 CA VAL A 61 -0.067 -5.561 -6.019 1.00 0.00 C ATOM 935 C VAL A 61 -0.003 -4.261 -5.217 1.00 0.00 C ATOM 936 O VAL A 61 0.360 -4.260 -4.036 1.00 0.00 O ATOM 937 CB VAL A 61 -1.525 -5.777 -6.503 1.00 0.00 C ATOM 938 CG1 VAL A 61 -1.628 -7.012 -7.398 1.00 0.00 C ATOM 939 CG2 VAL A 61 -2.480 -5.884 -5.312 1.00 0.00 C ATOM 0 H VAL A 61 -0.043 -6.784 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 61 0.594 -5.484 -6.882 1.00 0.00 H new ATOM 0 HB VAL A 61 -1.817 -4.910 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -2.660 -7.140 -7.723 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -0.986 -6.884 -8.270 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.311 -7.893 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.497 -6.035 -5.674 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.188 -6.727 -4.686 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.436 -4.966 -4.727 1.00 0.00 H new ATOM 949 N GLU A 62 -0.353 -3.160 -5.879 1.00 0.00 N ATOM 950 CA GLU A 62 -0.420 -1.850 -5.239 1.00 0.00 C ATOM 951 C GLU A 62 -1.605 -1.802 -4.271 1.00 0.00 C ATOM 952 O GLU A 62 -2.621 -2.462 -4.495 1.00 0.00 O ATOM 953 CB GLU A 62 -0.548 -0.751 -6.306 1.00 0.00 C ATOM 954 CG GLU A 62 0.536 -0.826 -7.379 1.00 0.00 C ATOM 955 CD GLU A 62 0.459 0.305 -8.396 1.00 0.00 C ATOM 956 OE1 GLU A 62 -0.314 0.190 -9.370 1.00 0.00 O ATOM 957 OE2 GLU A 62 1.188 1.310 -8.233 1.00 0.00 O ATOM 0 H GLU A 62 -0.597 -3.151 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 62 0.496 -1.679 -4.674 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.526 -0.827 -6.781 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.504 0.224 -5.821 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.514 -0.807 -6.899 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.455 -1.780 -7.900 1.00 0.00 H new ATOM 964 N ALA A 63 -1.475 -1.020 -3.203 1.00 0.00 N ATOM 965 CA ALA A 63 -2.489 -0.973 -2.151 1.00 0.00 C ATOM 966 C ALA A 63 -3.060 0.433 -1.990 1.00 0.00 C ATOM 967 O ALA A 63 -2.323 1.382 -1.723 1.00 0.00 O ATOM 968 CB ALA A 63 -1.894 -1.454 -0.831 1.00 0.00 C ATOM 0 H ALA A 63 -0.675 -0.408 -3.042 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.306 -1.634 -2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.656 -1.416 -0.053 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.541 -2.479 -0.943 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -1.059 -0.811 -0.553 1.00 0.00 H new ATOM 974 N ARG A 64 -4.373 0.558 -2.166 1.00 0.00 N ATOM 975 CA ARG A 64 -5.076 1.816 -1.923 1.00 0.00 C ATOM 976 C ARG A 64 -6.020 1.630 -0.735 1.00 0.00 C ATOM 977 O ARG A 64 -7.088 1.045 -0.880 1.00 0.00 O ATOM 978 CB ARG A 64 -5.878 2.237 -3.170 1.00 0.00 C ATOM 979 CG ARG A 64 -5.101 2.146 -4.482 1.00 0.00 C ATOM 980 CD ARG A 64 -3.875 3.053 -4.497 1.00 0.00 C ATOM 981 NE ARG A 64 -3.110 2.908 -5.739 1.00 0.00 N ATOM 982 CZ ARG A 64 -1.913 3.457 -5.954 1.00 0.00 C ATOM 983 NH1 ARG A 64 -1.342 4.212 -5.025 1.00 0.00 N ATOM 984 NH2 ARG A 64 -1.293 3.251 -7.109 1.00 0.00 N ATOM 0 H ARG A 64 -4.976 -0.203 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.351 2.599 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.766 1.610 -3.244 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.222 3.263 -3.036 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -4.788 1.115 -4.645 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.758 2.414 -5.309 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -4.188 4.091 -4.381 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.236 2.816 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 64 -3.520 2.351 -6.488 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -1.818 4.377 -4.138 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -0.427 4.628 -5.197 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.732 2.675 -7.828 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.378 3.669 -7.278 1.00 0.00 H new ATOM 998 N LYS A 65 -5.623 2.095 0.443 1.00 0.00 N ATOM 999 CA LYS A 65 -6.419 1.870 1.650 1.00 0.00 C ATOM 1000 C LYS A 65 -7.585 2.856 1.734 1.00 0.00 C ATOM 1001 O LYS A 65 -7.487 3.993 1.269 1.00 0.00 O ATOM 1002 CB LYS A 65 -5.554 1.987 2.913 1.00 0.00 C ATOM 1003 CG LYS A 65 -6.335 1.719 4.200 1.00 0.00 C ATOM 1004 CD LYS A 65 -5.509 1.988 5.453 1.00 0.00 C ATOM 1005 CE LYS A 65 -6.348 1.814 6.716 1.00 0.00 C ATOM 1006 NZ LYS A 65 -7.540 2.709 6.721 1.00 0.00 N ATOM 0 H LYS A 65 -4.764 2.625 0.591 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.818 0.858 1.589 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.725 1.283 2.845 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.121 2.986 2.959 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.227 2.345 4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.672 0.682 4.207 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.657 1.309 5.483 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.108 3.001 5.417 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.673 0.777 6.796 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.733 2.024 7.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.997 2.673 7.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.242 3.685 6.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.213 2.394 5.994 1.00 0.00 H new ATOM 1020 N LEU A 66 -8.687 2.407 2.330 1.00 0.00 N ATOM 1021 CA LEU A 66 -9.845 3.261 2.566 1.00 0.00 C ATOM 1022 C LEU A 66 -9.752 3.859 3.971 1.00 0.00 C ATOM 1023 O LEU A 66 -9.703 3.081 4.948 1.00 0.00 O ATOM 1024 CB LEU A 66 -11.162 2.477 2.406 1.00 0.00 C ATOM 1025 CG LEU A 66 -11.478 1.954 0.987 1.00 0.00 C ATOM 1026 CD1 LEU A 66 -10.482 0.885 0.553 1.00 0.00 C ATOM 1027 CD2 LEU A 66 -12.903 1.409 0.920 1.00 0.00 C ATOM 1028 OXT LEU A 66 -9.708 5.100 4.099 1.00 0.00 O ATOM 0 H LEU A 66 -8.801 1.449 2.660 1.00 0.00 H new ATOM 0 HA LEU A 66 -9.845 4.060 1.825 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -11.139 1.626 3.087 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -11.983 3.119 2.725 1.00 0.00 H new ATOM 0 HG LEU A 66 -11.390 2.794 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -10.733 0.539 -0.450 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.476 1.305 0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -10.523 0.046 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -13.107 1.045 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -13.013 0.590 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -13.608 2.202 1.169 1.00 0.00 H new