USER MOD reduce.3.24.130724 H: found=0, std=0, add=981, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 981 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -163:sc= -0.0752 (180deg=-0.457) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.014) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.222 X(o=-0.22,f=-0.41) USER MOD Single : A 11 THR OG1 : rot 90:sc= -0.193 USER MOD Single : A 15 SER OG : rot 180:sc= 0.00843 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -154:sc= 0.149 (180deg=0.0318) USER MOD Single : A 25 ASN : amide:sc= -2.22 K(o=-2.2,f=-5.1!) USER MOD Single : A 31 GLN : amide:sc= -10.4! C(o=-10!,f=-4.9!) USER MOD Single : A 32 SER OG : rot 68:sc= -0.66 USER MOD Single : A 37 THR OG1 : rot 133:sc= 1.54 USER MOD Single : A 42 ASN : amide:sc= -3.29! C(o=-3.3!,f=-9.5!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -152:sc= 1.11 USER MOD Single : A 55 THR OG1 : rot -120:sc= -1.37 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.132 K(o=-0.13,f=-1.5!) USER MOD Single : A 60 ASN : amide:sc= 0.604 K(o=0.6,f=-3.7!) USER MOD Single : A 63 GLN : amide:sc= -6.42! C(o=-6.4!,f=-5.6!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 170:sc= 0.534 USER MOD Single : A 71 HIS : no HD1:sc= -0.647 X(o=-0.65,f=-0.48) USER MOD Single : A 77 TYR OH : rot 105:sc= 0.748 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= -0.189 (180deg=-1.25) USER MOD Single : A 85 MET CE :methyl 150:sc= -0.151 (180deg=-1.03) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 74:sc= 0.189 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 64:sc= 0.123 USER MOD Single : A 99 HIS : no HE2:sc= -1.23 K(o=-0.82,f=-4.9) USER MOD Single : A 102 ASN : amide:sc= 1.2 K(o=1.2,f=-0.064) USER MOD Single : A 107 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.104) USER MOD Single : A 108 ASN : amide:sc= -4.02! K(o=-4!,f=-0.47) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0 USER MOD Single : A 120 ASN : amide:sc=-0.00359 X(o=-0.0036,f=0) USER MOD Single : A 124 HIS : no HE2:sc= -4.24! K(o=-4.2!,f=-2.8) USER MOD Single : A 128 THR OG1 : rot 6:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -18.494 13.522 -7.381 1.00 0.00 N ATOM 2 CA MET A 1 -19.509 13.507 -6.301 1.00 0.00 C ATOM 3 C MET A 1 -19.018 12.707 -5.103 1.00 0.00 C ATOM 4 O MET A 1 -18.824 13.258 -4.019 1.00 0.00 O ATOM 5 CB MET A 1 -20.832 12.928 -6.806 1.00 0.00 C ATOM 6 CG MET A 1 -21.549 13.819 -7.806 1.00 0.00 C ATOM 7 SD MET A 1 -21.968 15.436 -7.122 1.00 0.00 S ATOM 8 CE MET A 1 -23.116 14.977 -5.825 1.00 0.00 C ATOM 0 H1 MET A 1 -18.823 14.129 -8.159 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.596 13.893 -7.009 1.00 0.00 H new ATOM 0 H3 MET A 1 -18.349 12.555 -7.735 1.00 0.00 H new ATOM 0 HA MET A 1 -19.674 14.538 -5.988 1.00 0.00 H new ATOM 0 HB2 MET A 1 -20.641 11.959 -7.268 1.00 0.00 H new ATOM 0 HB3 MET A 1 -21.489 12.751 -5.955 1.00 0.00 H new ATOM 0 HG2 MET A 1 -20.918 13.953 -8.685 1.00 0.00 H new ATOM 0 HG3 MET A 1 -22.460 13.323 -8.140 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.686 15.854 -5.516 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.799 14.213 -6.197 1.00 0.00 H new ATOM 0 HE3 MET A 1 -22.563 14.585 -4.972 1.00 0.00 H new ATOM 20 N ALA A 2 -18.811 11.412 -5.298 1.00 0.00 N ATOM 21 CA ALA A 2 -18.376 10.535 -4.221 1.00 0.00 C ATOM 22 C ALA A 2 -17.010 9.937 -4.532 1.00 0.00 C ATOM 23 O ALA A 2 -16.715 9.593 -5.678 1.00 0.00 O ATOM 24 CB ALA A 2 -19.400 9.425 -3.999 1.00 0.00 C ATOM 0 H ALA A 2 -18.938 10.945 -6.196 1.00 0.00 H new ATOM 0 HA ALA A 2 -18.293 11.126 -3.309 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -19.063 8.776 -3.191 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -20.362 9.865 -3.734 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.507 8.841 -4.913 1.00 0.00 H new ATOM 30 N THR A 3 -16.172 9.841 -3.512 1.00 0.00 N ATOM 31 CA THR A 3 -14.883 9.184 -3.640 1.00 0.00 C ATOM 32 C THR A 3 -15.080 7.673 -3.781 1.00 0.00 C ATOM 33 O THR A 3 -16.018 7.128 -3.200 1.00 0.00 O ATOM 34 CB THR A 3 -13.997 9.494 -2.414 1.00 0.00 C ATOM 35 OG1 THR A 3 -13.795 10.909 -2.308 1.00 0.00 O ATOM 36 CG2 THR A 3 -12.647 8.795 -2.504 1.00 0.00 C ATOM 0 H THR A 3 -16.364 10.212 -2.582 1.00 0.00 H new ATOM 0 HA THR A 3 -14.383 9.562 -4.532 1.00 0.00 H new ATOM 0 HB THR A 3 -14.512 9.122 -1.529 1.00 0.00 H new ATOM 0 HG1 THR A 3 -13.234 11.102 -1.528 1.00 0.00 H new ATOM 0 HG21 THR A 3 -12.052 9.038 -1.623 1.00 0.00 H new ATOM 0 HG22 THR A 3 -12.798 7.717 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 3 -12.123 9.130 -3.399 1.00 0.00 H new ATOM 44 N ILE A 4 -14.214 7.015 -4.558 1.00 0.00 N ATOM 45 CA ILE A 4 -14.334 5.577 -4.847 1.00 0.00 C ATOM 46 C ILE A 4 -14.691 4.776 -3.596 1.00 0.00 C ATOM 47 O ILE A 4 -15.640 3.989 -3.591 1.00 0.00 O ATOM 48 CB ILE A 4 -13.021 4.995 -5.429 1.00 0.00 C ATOM 49 CG1 ILE A 4 -12.528 5.816 -6.623 1.00 0.00 C ATOM 50 CG2 ILE A 4 -13.220 3.541 -5.838 1.00 0.00 C ATOM 51 CD1 ILE A 4 -11.478 6.849 -6.265 1.00 0.00 C ATOM 0 H ILE A 4 -13.412 7.460 -5.004 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.133 5.488 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 4 -12.261 5.044 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -12.117 5.139 -7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -13.379 6.320 -7.081 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -12.289 3.147 -6.245 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -13.512 2.955 -4.967 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -14.001 3.480 -6.595 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -11.179 7.390 -7.163 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -11.890 7.550 -5.539 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -10.609 6.351 -5.835 1.00 0.00 H new ATOM 63 N VAL A 5 -13.935 5.014 -2.537 1.00 0.00 N ATOM 64 CA VAL A 5 -14.094 4.306 -1.278 1.00 0.00 C ATOM 65 C VAL A 5 -15.411 4.657 -0.587 1.00 0.00 C ATOM 66 O VAL A 5 -16.046 3.808 0.028 1.00 0.00 O ATOM 67 CB VAL A 5 -12.924 4.625 -0.324 1.00 0.00 C ATOM 68 CG1 VAL A 5 -12.628 6.114 -0.295 1.00 0.00 C ATOM 69 CG2 VAL A 5 -13.229 4.115 1.062 1.00 0.00 C ATOM 0 H VAL A 5 -13.188 5.709 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 5 -14.101 3.242 -1.513 1.00 0.00 H new ATOM 0 HB VAL A 5 -12.034 4.118 -0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -11.799 6.307 0.386 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -12.361 6.451 -1.296 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -13.511 6.654 0.046 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -12.396 4.346 1.726 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -14.134 4.594 1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -13.377 3.036 1.028 1.00 0.00 H new ATOM 79 N ASP A 6 -15.810 5.914 -0.689 1.00 0.00 N ATOM 80 CA ASP A 6 -17.014 6.396 -0.022 1.00 0.00 C ATOM 81 C ASP A 6 -18.216 5.618 -0.493 1.00 0.00 C ATOM 82 O ASP A 6 -19.065 5.196 0.294 1.00 0.00 O ATOM 83 CB ASP A 6 -17.235 7.869 -0.322 1.00 0.00 C ATOM 84 CG ASP A 6 -18.332 8.471 0.536 1.00 0.00 C ATOM 85 OD1 ASP A 6 -18.128 8.623 1.759 1.00 0.00 O ATOM 86 OD2 ASP A 6 -19.410 8.790 -0.011 1.00 0.00 O1- ATOM 0 H ASP A 6 -15.317 6.624 -1.230 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.884 6.260 1.052 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -16.306 8.415 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -17.492 7.989 -1.374 1.00 0.00 H new ATOM 91 N ILE A 7 -18.262 5.430 -1.797 1.00 0.00 N ATOM 92 CA ILE A 7 -19.326 4.675 -2.437 1.00 0.00 C ATOM 93 C ILE A 7 -19.437 3.256 -1.866 1.00 0.00 C ATOM 94 O ILE A 7 -20.484 2.632 -1.960 1.00 0.00 O ATOM 95 CB ILE A 7 -19.120 4.591 -3.957 1.00 0.00 C ATOM 96 CG1 ILE A 7 -18.830 5.983 -4.508 1.00 0.00 C ATOM 97 CG2 ILE A 7 -20.367 4.007 -4.626 1.00 0.00 C ATOM 98 CD1 ILE A 7 -18.021 5.972 -5.784 1.00 0.00 C ATOM 0 H ILE A 7 -17.564 5.795 -2.445 1.00 0.00 H new ATOM 0 HA ILE A 7 -20.252 5.212 -2.231 1.00 0.00 H new ATOM 0 HB ILE A 7 -18.274 3.937 -4.170 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -19.774 6.496 -4.691 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -18.295 6.559 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -20.210 3.952 -5.703 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -20.555 3.007 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -21.225 4.646 -4.417 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -17.853 6.996 -6.117 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -17.061 5.488 -5.602 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -18.564 5.424 -6.554 1.00 0.00 H new ATOM 110 N ALA A 8 -18.368 2.746 -1.262 1.00 0.00 N ATOM 111 CA ALA A 8 -18.399 1.412 -0.666 1.00 0.00 C ATOM 112 C ALA A 8 -19.460 1.327 0.431 1.00 0.00 C ATOM 113 O ALA A 8 -20.056 0.277 0.648 1.00 0.00 O ATOM 114 CB ALA A 8 -17.032 1.028 -0.124 1.00 0.00 C ATOM 0 H ALA A 8 -17.475 3.231 -1.172 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.665 0.702 -1.449 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -17.081 0.031 0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -16.305 1.032 -0.936 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.728 1.745 0.639 1.00 0.00 H new ATOM 120 N VAL A 9 -19.686 2.434 1.128 1.00 0.00 N ATOM 121 CA VAL A 9 -20.783 2.522 2.091 1.00 0.00 C ATOM 122 C VAL A 9 -22.101 2.826 1.373 1.00 0.00 C ATOM 123 O VAL A 9 -23.178 2.406 1.802 1.00 0.00 O ATOM 124 CB VAL A 9 -20.510 3.614 3.146 1.00 0.00 C ATOM 125 CG1 VAL A 9 -21.612 3.654 4.194 1.00 0.00 C ATOM 126 CG2 VAL A 9 -19.158 3.393 3.799 1.00 0.00 C ATOM 0 H VAL A 9 -19.127 3.283 1.047 1.00 0.00 H new ATOM 0 HA VAL A 9 -20.859 1.559 2.596 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.498 4.579 2.638 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -21.392 4.433 4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -22.566 3.868 3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.669 2.690 4.699 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -18.981 4.172 4.541 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -19.144 2.418 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -18.377 3.430 3.040 1.00 0.00 H new ATOM 136 N ASN A 10 -21.991 3.542 0.264 1.00 0.00 N ATOM 137 CA ASN A 10 -23.150 3.970 -0.522 1.00 0.00 C ATOM 138 C ASN A 10 -23.756 2.805 -1.308 1.00 0.00 C ATOM 139 O ASN A 10 -24.939 2.824 -1.652 1.00 0.00 O ATOM 140 CB ASN A 10 -22.715 5.063 -1.503 1.00 0.00 C ATOM 141 CG ASN A 10 -23.851 5.658 -2.298 1.00 0.00 C ATOM 142 OD1 ASN A 10 -24.991 5.734 -1.837 1.00 0.00 O ATOM 143 ND2 ASN A 10 -23.536 6.094 -3.502 1.00 0.00 N ATOM 0 H ASN A 10 -21.097 3.846 -0.121 1.00 0.00 H new ATOM 0 HA ASN A 10 -23.907 4.349 0.165 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -22.217 5.858 -0.948 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -21.980 4.647 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -24.251 6.516 -4.095 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -22.578 6.009 -3.840 1.00 0.00 H new ATOM 150 N THR A 11 -22.936 1.800 -1.592 1.00 0.00 N ATOM 151 CA THR A 11 -23.351 0.673 -2.413 1.00 0.00 C ATOM 152 C THR A 11 -24.492 -0.108 -1.769 1.00 0.00 C ATOM 153 O THR A 11 -24.547 -0.243 -0.546 1.00 0.00 O ATOM 154 CB THR A 11 -22.188 -0.295 -2.680 1.00 0.00 C ATOM 155 OG1 THR A 11 -21.462 -0.545 -1.476 1.00 0.00 O ATOM 156 CG2 THR A 11 -21.260 0.248 -3.753 1.00 0.00 C ATOM 0 H THR A 11 -21.972 1.745 -1.262 1.00 0.00 H new ATOM 0 HA THR A 11 -23.692 1.099 -3.356 1.00 0.00 H new ATOM 0 HB THR A 11 -22.607 -1.235 -3.039 1.00 0.00 H new ATOM 0 HG1 THR A 11 -21.850 -1.318 -1.014 1.00 0.00 H new ATOM 0 HG21 THR A 11 -20.446 -0.457 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 11 -21.817 0.387 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.850 1.205 -3.429 1.00 0.00 H new ATOM 164 N PRO A 12 -25.418 -0.637 -2.581 1.00 0.00 N ATOM 165 CA PRO A 12 -26.530 -1.446 -2.096 1.00 0.00 C ATOM 166 C PRO A 12 -26.115 -2.886 -1.822 1.00 0.00 C ATOM 167 O PRO A 12 -26.647 -3.821 -2.422 1.00 0.00 O ATOM 168 CB PRO A 12 -27.548 -1.394 -3.248 1.00 0.00 C ATOM 169 CG PRO A 12 -26.958 -0.480 -4.275 1.00 0.00 C ATOM 170 CD PRO A 12 -25.486 -0.486 -4.034 1.00 0.00 C ATOM 0 HA PRO A 12 -26.922 -1.072 -1.150 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -27.720 -2.387 -3.662 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -28.512 -1.022 -2.901 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -27.190 -0.824 -5.283 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -27.365 0.527 -4.181 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -24.991 -1.306 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -25.013 0.436 -4.371 1.00 0.00 H new ATOM 178 N GLY A 13 -25.159 -3.055 -0.919 1.00 0.00 N ATOM 179 CA GLY A 13 -24.672 -4.381 -0.606 1.00 0.00 C ATOM 180 C GLY A 13 -23.914 -4.982 -1.769 1.00 0.00 C ATOM 181 O GLY A 13 -24.158 -6.128 -2.154 1.00 0.00 O ATOM 0 H GLY A 13 -24.714 -2.299 -0.399 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -24.022 -4.334 0.268 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -25.511 -5.026 -0.345 1.00 0.00 H new ATOM 185 N PHE A 14 -23.020 -4.184 -2.345 1.00 0.00 N ATOM 186 CA PHE A 14 -22.215 -4.595 -3.501 1.00 0.00 C ATOM 187 C PHE A 14 -21.369 -5.838 -3.224 1.00 0.00 C ATOM 188 O PHE A 14 -21.519 -6.514 -2.201 1.00 0.00 O ATOM 189 CB PHE A 14 -21.276 -3.462 -3.916 1.00 0.00 C ATOM 190 CG PHE A 14 -21.331 -3.119 -5.378 1.00 0.00 C ATOM 191 CD1 PHE A 14 -22.372 -2.357 -5.884 1.00 0.00 C ATOM 192 CD2 PHE A 14 -20.340 -3.549 -6.243 1.00 0.00 C ATOM 193 CE1 PHE A 14 -22.424 -2.034 -7.225 1.00 0.00 C ATOM 194 CE2 PHE A 14 -20.385 -3.229 -7.586 1.00 0.00 C ATOM 195 CZ PHE A 14 -21.429 -2.470 -8.077 1.00 0.00 C ATOM 0 H PHE A 14 -22.830 -3.234 -2.027 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.921 -4.832 -4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.521 -2.572 -3.336 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.254 -3.740 -3.658 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -23.152 -2.012 -5.221 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.521 -4.142 -5.863 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -23.242 -1.441 -7.607 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.606 -3.572 -8.250 1.00 0.00 H new ATOM 0 HZ PHE A 14 -21.467 -2.218 -9.126 1.00 0.00 H new ATOM 205 N SER A 15 -20.476 -6.125 -4.157 1.00 0.00 N ATOM 206 CA SER A 15 -19.529 -7.213 -4.024 1.00 0.00 C ATOM 207 C SER A 15 -18.695 -7.047 -2.754 1.00 0.00 C ATOM 208 O SER A 15 -18.582 -5.951 -2.196 1.00 0.00 O ATOM 209 CB SER A 15 -18.621 -7.230 -5.249 1.00 0.00 C ATOM 210 OG SER A 15 -19.384 -7.135 -6.441 1.00 0.00 O ATOM 0 H SER A 15 -20.390 -5.606 -5.031 1.00 0.00 H new ATOM 0 HA SER A 15 -20.071 -8.156 -3.953 1.00 0.00 H new ATOM 0 HB2 SER A 15 -17.915 -6.401 -5.196 1.00 0.00 H new ATOM 0 HB3 SER A 15 -18.034 -8.148 -5.260 1.00 0.00 H new ATOM 0 HG SER A 15 -18.784 -7.146 -7.215 1.00 0.00 H new ATOM 216 N THR A 16 -18.102 -8.149 -2.319 1.00 0.00 N ATOM 217 CA THR A 16 -17.372 -8.206 -1.065 1.00 0.00 C ATOM 218 C THR A 16 -16.181 -7.257 -1.066 1.00 0.00 C ATOM 219 O THR A 16 -15.672 -6.890 -0.009 1.00 0.00 O ATOM 220 CB THR A 16 -16.891 -9.645 -0.797 1.00 0.00 C ATOM 221 OG1 THR A 16 -17.936 -10.568 -1.140 1.00 0.00 O ATOM 222 CG2 THR A 16 -16.505 -9.835 0.661 1.00 0.00 C ATOM 0 H THR A 16 -18.115 -9.032 -2.830 1.00 0.00 H new ATOM 0 HA THR A 16 -18.052 -7.894 -0.272 1.00 0.00 H new ATOM 0 HB THR A 16 -16.009 -9.831 -1.410 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.631 -11.484 -0.972 1.00 0.00 H new ATOM 0 HG21 THR A 16 -16.170 -10.860 0.818 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.699 -9.147 0.917 1.00 0.00 H new ATOM 0 HG23 THR A 16 -17.369 -9.634 1.295 1.00 0.00 H new ATOM 230 N LEU A 17 -15.754 -6.857 -2.253 1.00 0.00 N ATOM 231 CA LEU A 17 -14.664 -5.909 -2.401 1.00 0.00 C ATOM 232 C LEU A 17 -14.968 -4.601 -1.665 1.00 0.00 C ATOM 233 O LEU A 17 -14.065 -3.967 -1.120 1.00 0.00 O ATOM 234 CB LEU A 17 -14.407 -5.634 -3.886 1.00 0.00 C ATOM 235 CG LEU A 17 -13.190 -4.760 -4.193 1.00 0.00 C ATOM 236 CD1 LEU A 17 -11.909 -5.444 -3.741 1.00 0.00 C ATOM 237 CD2 LEU A 17 -13.128 -4.446 -5.678 1.00 0.00 C ATOM 0 H LEU A 17 -16.151 -7.179 -3.136 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.769 -6.345 -1.958 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.286 -6.588 -4.399 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -15.291 -5.156 -4.307 1.00 0.00 H new ATOM 0 HG LEU A 17 -13.290 -3.825 -3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -11.056 -4.805 -3.969 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -11.952 -5.623 -2.667 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -11.800 -6.395 -4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.257 -3.823 -5.882 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.051 -5.375 -6.243 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -14.032 -3.914 -5.976 1.00 0.00 H new ATOM 249 N VAL A 18 -16.243 -4.207 -1.623 1.00 0.00 N ATOM 250 CA VAL A 18 -16.607 -2.948 -0.973 1.00 0.00 C ATOM 251 C VAL A 18 -16.683 -3.147 0.525 1.00 0.00 C ATOM 252 O VAL A 18 -16.482 -2.220 1.307 1.00 0.00 O ATOM 253 CB VAL A 18 -17.947 -2.367 -1.484 1.00 0.00 C ATOM 254 CG1 VAL A 18 -18.008 -2.447 -2.994 1.00 0.00 C ATOM 255 CG2 VAL A 18 -19.155 -3.055 -0.847 1.00 0.00 C ATOM 0 H VAL A 18 -17.024 -4.728 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.828 -2.228 -1.224 1.00 0.00 H new ATOM 0 HB VAL A 18 -17.990 -1.320 -1.185 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.955 -2.035 -3.342 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.185 -1.875 -3.422 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -17.928 -3.488 -3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.072 -2.614 -1.236 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -19.135 -4.119 -1.084 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -19.120 -2.924 0.235 1.00 0.00 H new ATOM 265 N THR A 19 -16.976 -4.369 0.919 1.00 0.00 N ATOM 266 CA THR A 19 -17.102 -4.682 2.319 1.00 0.00 C ATOM 267 C THR A 19 -15.744 -4.958 2.935 1.00 0.00 C ATOM 268 O THR A 19 -15.546 -4.726 4.113 1.00 0.00 O ATOM 269 CB THR A 19 -18.028 -5.878 2.553 1.00 0.00 C ATOM 270 OG1 THR A 19 -19.089 -5.860 1.587 1.00 0.00 O ATOM 271 CG2 THR A 19 -18.614 -5.811 3.954 1.00 0.00 C ATOM 0 H THR A 19 -17.130 -5.156 0.289 1.00 0.00 H new ATOM 0 HA THR A 19 -17.544 -3.810 2.802 1.00 0.00 H new ATOM 0 HB THR A 19 -17.456 -6.800 2.448 1.00 0.00 H new ATOM 0 HG1 THR A 19 -19.680 -6.627 1.736 1.00 0.00 H new ATOM 0 HG21 THR A 19 -19.272 -6.665 4.114 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.808 -5.832 4.687 1.00 0.00 H new ATOM 0 HG23 THR A 19 -19.183 -4.888 4.067 1.00 0.00 H new ATOM 279 N ALA A 20 -14.809 -5.426 2.123 1.00 0.00 N ATOM 280 CA ALA A 20 -13.466 -5.727 2.592 1.00 0.00 C ATOM 281 C ALA A 20 -12.769 -4.481 3.143 1.00 0.00 C ATOM 282 O ALA A 20 -12.046 -4.552 4.129 1.00 0.00 O ATOM 283 CB ALA A 20 -12.668 -6.379 1.480 1.00 0.00 C ATOM 0 H ALA A 20 -14.957 -5.606 1.130 1.00 0.00 H new ATOM 0 HA ALA A 20 -13.535 -6.431 3.421 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -11.663 -6.602 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -13.158 -7.303 1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.609 -5.701 0.629 1.00 0.00 H new ATOM 289 N VAL A 21 -13.001 -3.333 2.525 1.00 0.00 N ATOM 290 CA VAL A 21 -12.514 -2.074 3.081 1.00 0.00 C ATOM 291 C VAL A 21 -13.391 -1.634 4.259 1.00 0.00 C ATOM 292 O VAL A 21 -12.885 -1.128 5.263 1.00 0.00 O ATOM 293 CB VAL A 21 -12.444 -0.951 2.017 1.00 0.00 C ATOM 294 CG1 VAL A 21 -13.654 -0.977 1.093 1.00 0.00 C ATOM 295 CG2 VAL A 21 -12.334 0.396 2.699 1.00 0.00 C ATOM 0 H VAL A 21 -13.516 -3.244 1.649 1.00 0.00 H new ATOM 0 HA VAL A 21 -11.498 -2.251 3.435 1.00 0.00 H new ATOM 0 HB VAL A 21 -11.559 -1.121 1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -13.569 -0.175 0.360 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -13.698 -1.936 0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -14.562 -0.839 1.679 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -12.285 1.182 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -13.206 0.555 3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -11.432 0.422 3.310 1.00 0.00 H new ATOM 305 N LYS A 22 -14.695 -1.862 4.143 1.00 0.00 N ATOM 306 CA LYS A 22 -15.639 -1.496 5.192 1.00 0.00 C ATOM 307 C LYS A 22 -15.346 -2.250 6.484 1.00 0.00 C ATOM 308 O LYS A 22 -15.387 -1.682 7.572 1.00 0.00 O ATOM 309 CB LYS A 22 -17.079 -1.775 4.738 1.00 0.00 C ATOM 310 CG LYS A 22 -17.754 -0.594 4.074 1.00 0.00 C ATOM 311 CD LYS A 22 -19.215 -0.844 3.770 1.00 0.00 C ATOM 312 CE LYS A 22 -19.408 -1.883 2.683 1.00 0.00 C ATOM 313 NZ LYS A 22 -20.842 -2.066 2.342 1.00 0.00 N1+ ATOM 0 H LYS A 22 -15.124 -2.301 3.328 1.00 0.00 H new ATOM 0 HA LYS A 22 -15.526 -0.429 5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -17.074 -2.615 4.044 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -17.669 -2.079 5.602 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -17.667 0.279 4.721 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -17.231 -0.357 3.148 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -19.721 -1.173 4.678 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -19.685 0.091 3.464 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -18.858 -1.582 1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -18.988 -2.834 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -20.989 -3.023 1.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -21.421 -1.940 3.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -21.122 -1.363 1.628 1.00 0.00 H new ATOM 327 N VAL A 23 -15.032 -3.524 6.345 1.00 0.00 N ATOM 328 CA VAL A 23 -14.744 -4.380 7.486 1.00 0.00 C ATOM 329 C VAL A 23 -13.368 -4.056 8.049 1.00 0.00 C ATOM 330 O VAL A 23 -13.151 -4.079 9.262 1.00 0.00 O ATOM 331 CB VAL A 23 -14.808 -5.874 7.103 1.00 0.00 C ATOM 332 CG1 VAL A 23 -13.820 -6.196 5.995 1.00 0.00 C ATOM 333 CG2 VAL A 23 -14.539 -6.731 8.320 1.00 0.00 C ATOM 0 H VAL A 23 -14.969 -3.996 5.443 1.00 0.00 H new ATOM 0 HA VAL A 23 -15.504 -4.189 8.243 1.00 0.00 H new ATOM 0 HB VAL A 23 -15.809 -6.092 6.731 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -13.886 -7.255 5.745 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -14.055 -5.600 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -12.809 -5.965 6.331 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -14.586 -7.784 8.041 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.548 -6.504 8.713 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -15.289 -6.524 9.084 1.00 0.00 H new ATOM 343 N ALA A 24 -12.454 -3.730 7.150 1.00 0.00 N ATOM 344 CA ALA A 24 -11.090 -3.396 7.518 1.00 0.00 C ATOM 345 C ALA A 24 -11.014 -2.019 8.147 1.00 0.00 C ATOM 346 O ALA A 24 -9.962 -1.611 8.604 1.00 0.00 O ATOM 347 CB ALA A 24 -10.199 -3.425 6.307 1.00 0.00 C ATOM 0 H ALA A 24 -12.637 -3.690 6.147 1.00 0.00 H new ATOM 0 HA ALA A 24 -10.756 -4.138 8.243 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -9.180 -3.172 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -10.214 -4.423 5.868 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -10.557 -2.701 5.575 1.00 0.00 H new ATOM 353 N ASN A 25 -12.141 -1.310 8.105 1.00 0.00 N ATOM 354 CA ASN A 25 -12.296 0.031 8.657 1.00 0.00 C ATOM 355 C ASN A 25 -11.524 1.089 7.861 1.00 0.00 C ATOM 356 O ASN A 25 -11.347 2.221 8.312 1.00 0.00 O ATOM 357 CB ASN A 25 -11.973 0.047 10.165 1.00 0.00 C ATOM 358 CG ASN A 25 -10.510 0.279 10.565 1.00 0.00 C ATOM 359 OD1 ASN A 25 -9.845 -0.639 11.043 1.00 0.00 O ATOM 360 ND2 ASN A 25 -10.003 1.490 10.405 1.00 0.00 N ATOM 0 H ASN A 25 -12.994 -1.665 7.673 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.344 0.311 8.555 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -12.578 0.824 10.632 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -12.293 -0.905 10.589 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.039 1.680 10.680 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.576 2.234 10.006 1.00 0.00 H new ATOM 367 N LEU A 26 -11.131 0.749 6.639 1.00 0.00 N ATOM 368 CA LEU A 26 -10.401 1.694 5.801 1.00 0.00 C ATOM 369 C LEU A 26 -11.324 2.489 4.902 1.00 0.00 C ATOM 370 O LEU A 26 -10.863 3.211 4.020 1.00 0.00 O ATOM 371 CB LEU A 26 -9.323 1.008 4.967 1.00 0.00 C ATOM 372 CG LEU A 26 -7.981 0.862 5.681 1.00 0.00 C ATOM 373 CD1 LEU A 26 -8.082 -0.158 6.789 1.00 0.00 C ATOM 374 CD2 LEU A 26 -6.883 0.496 4.703 1.00 0.00 C ATOM 0 H LEU A 26 -11.302 -0.161 6.210 1.00 0.00 H new ATOM 0 HA LEU A 26 -9.912 2.387 6.486 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.678 0.019 4.677 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -9.174 1.575 4.048 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.722 1.824 6.124 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -7.117 -0.250 7.288 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -8.834 0.161 7.510 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -8.368 -1.123 6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.938 0.398 5.237 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.127 -0.450 4.220 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.794 1.277 3.947 1.00 0.00 H new ATOM 386 N VAL A 27 -12.622 2.367 5.129 1.00 0.00 N ATOM 387 CA VAL A 27 -13.592 3.151 4.381 1.00 0.00 C ATOM 388 C VAL A 27 -13.330 4.633 4.594 1.00 0.00 C ATOM 389 O VAL A 27 -13.466 5.432 3.682 1.00 0.00 O ATOM 390 CB VAL A 27 -15.043 2.785 4.777 1.00 0.00 C ATOM 391 CG1 VAL A 27 -15.845 4.001 5.230 1.00 0.00 C ATOM 392 CG2 VAL A 27 -15.739 2.086 3.617 1.00 0.00 C ATOM 0 H VAL A 27 -13.027 1.736 5.821 1.00 0.00 H new ATOM 0 HA VAL A 27 -13.478 2.919 3.322 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.989 2.106 5.628 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.856 3.692 5.497 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.363 4.452 6.097 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.890 4.729 4.420 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -16.759 1.832 3.905 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -15.760 2.749 2.752 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.197 1.175 3.363 1.00 0.00 H new ATOM 402 N GLU A 28 -12.937 4.977 5.804 1.00 0.00 N ATOM 403 CA GLU A 28 -12.583 6.351 6.139 1.00 0.00 C ATOM 404 C GLU A 28 -11.117 6.662 5.815 1.00 0.00 C ATOM 405 O GLU A 28 -10.737 7.825 5.683 1.00 0.00 O ATOM 406 CB GLU A 28 -12.880 6.612 7.613 1.00 0.00 C ATOM 407 CG GLU A 28 -12.518 5.447 8.519 1.00 0.00 C ATOM 408 CD GLU A 28 -12.884 5.691 9.968 1.00 0.00 C ATOM 409 OE1 GLU A 28 -14.048 5.436 10.346 1.00 0.00 O ATOM 410 OE2 GLU A 28 -12.016 6.133 10.740 1.00 0.00 O1- ATOM 0 H GLU A 28 -12.853 4.321 6.581 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.190 7.016 5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.331 7.497 7.935 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.941 6.836 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.026 4.549 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.447 5.257 8.447 1.00 0.00 H new ATOM 417 N ALA A 29 -10.302 5.622 5.671 1.00 0.00 N ATOM 418 CA ALA A 29 -8.881 5.794 5.421 1.00 0.00 C ATOM 419 C ALA A 29 -8.593 6.103 3.953 1.00 0.00 C ATOM 420 O ALA A 29 -7.955 7.107 3.638 1.00 0.00 O ATOM 421 CB ALA A 29 -8.110 4.559 5.861 1.00 0.00 C ATOM 0 H ALA A 29 -10.605 4.650 5.724 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.549 6.650 6.008 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.047 4.705 5.667 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -8.264 4.394 6.927 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -8.465 3.691 5.305 1.00 0.00 H new ATOM 427 N LEU A 30 -9.074 5.230 3.063 1.00 0.00 N ATOM 428 CA LEU A 30 -8.884 5.386 1.610 1.00 0.00 C ATOM 429 C LEU A 30 -9.393 6.736 1.096 1.00 0.00 C ATOM 430 O LEU A 30 -9.114 7.125 -0.034 1.00 0.00 O ATOM 431 CB LEU A 30 -9.620 4.291 0.848 1.00 0.00 C ATOM 432 CG LEU A 30 -9.409 2.868 1.345 1.00 0.00 C ATOM 433 CD1 LEU A 30 -10.096 1.898 0.413 1.00 0.00 C ATOM 434 CD2 LEU A 30 -7.937 2.529 1.465 1.00 0.00 C ATOM 0 H LEU A 30 -9.604 4.398 3.323 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.809 5.321 1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.687 4.510 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -9.316 4.337 -0.198 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.845 2.788 2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.944 0.880 0.771 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.164 2.116 0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.677 1.997 -0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -7.827 1.505 1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -7.461 2.626 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.463 3.212 2.170 1.00 0.00 H new ATOM 446 N GLN A 31 -10.155 7.429 1.930 1.00 0.00 N ATOM 447 CA GLN A 31 -10.794 8.693 1.560 1.00 0.00 C ATOM 448 C GLN A 31 -9.786 9.809 1.303 1.00 0.00 C ATOM 449 O GLN A 31 -10.162 10.880 0.831 1.00 0.00 O ATOM 450 CB GLN A 31 -11.747 9.128 2.662 1.00 0.00 C ATOM 451 CG GLN A 31 -12.808 8.103 2.957 1.00 0.00 C ATOM 452 CD GLN A 31 -14.007 8.191 2.051 1.00 0.00 C ATOM 453 OE1 GLN A 31 -14.424 9.271 1.633 1.00 0.00 O ATOM 454 NE2 GLN A 31 -14.523 7.041 1.684 1.00 0.00 N ATOM 0 H GLN A 31 -10.351 7.133 2.886 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.335 8.516 0.630 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -11.178 9.326 3.570 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.224 10.065 2.374 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -12.372 7.108 2.871 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -13.136 8.220 3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -14.145 6.170 2.057 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -15.302 7.018 1.026 1.00 0.00 H new ATOM 463 N SER A 32 -8.521 9.559 1.627 1.00 0.00 N ATOM 464 CA SER A 32 -7.461 10.543 1.430 1.00 0.00 C ATOM 465 C SER A 32 -7.462 11.079 -0.004 1.00 0.00 C ATOM 466 O SER A 32 -7.230 10.332 -0.953 1.00 0.00 O ATOM 467 CB SER A 32 -6.108 9.916 1.745 1.00 0.00 C ATOM 468 OG SER A 32 -6.074 9.393 3.062 1.00 0.00 O ATOM 0 H SER A 32 -8.203 8.677 2.030 1.00 0.00 H new ATOM 0 HA SER A 32 -7.644 11.378 2.106 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.899 9.120 1.030 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.323 10.663 1.628 1.00 0.00 H new ATOM 0 HG SER A 32 -6.674 8.620 3.123 1.00 0.00 H new ATOM 474 N PRO A 33 -7.762 12.375 -0.177 1.00 0.00 N ATOM 475 CA PRO A 33 -7.820 13.007 -1.497 1.00 0.00 C ATOM 476 C PRO A 33 -6.451 13.412 -2.043 1.00 0.00 C ATOM 477 O PRO A 33 -6.290 13.608 -3.252 1.00 0.00 O ATOM 478 CB PRO A 33 -8.668 14.250 -1.240 1.00 0.00 C ATOM 479 CG PRO A 33 -8.416 14.605 0.187 1.00 0.00 C ATOM 480 CD PRO A 33 -8.092 13.321 0.907 1.00 0.00 C ATOM 0 HA PRO A 33 -8.220 12.325 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -8.384 15.065 -1.905 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -9.725 14.049 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.591 15.312 0.269 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.291 15.084 0.626 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -7.255 13.449 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.938 12.971 1.498 1.00 0.00 H new ATOM 488 N GLY A 34 -5.478 13.541 -1.150 1.00 0.00 N ATOM 489 CA GLY A 34 -4.181 14.083 -1.517 1.00 0.00 C ATOM 490 C GLY A 34 -3.286 13.117 -2.280 1.00 0.00 C ATOM 491 O GLY A 34 -3.727 12.450 -3.217 1.00 0.00 O ATOM 0 H GLY A 34 -5.564 13.277 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.333 14.975 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.664 14.399 -0.611 1.00 0.00 H new ATOM 495 N PRO A 35 -1.998 13.048 -1.914 1.00 0.00 N ATOM 496 CA PRO A 35 -1.015 12.235 -2.626 1.00 0.00 C ATOM 497 C PRO A 35 -1.097 10.753 -2.273 1.00 0.00 C ATOM 498 O PRO A 35 -1.650 10.379 -1.239 1.00 0.00 O ATOM 499 CB PRO A 35 0.318 12.823 -2.179 1.00 0.00 C ATOM 500 CG PRO A 35 0.063 13.445 -0.849 1.00 0.00 C ATOM 501 CD PRO A 35 -1.405 13.769 -0.776 1.00 0.00 C ATOM 0 HA PRO A 35 -1.173 12.266 -3.704 1.00 0.00 H new ATOM 0 HB2 PRO A 35 1.082 12.049 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.678 13.563 -2.894 1.00 0.00 H new ATOM 0 HG2 PRO A 35 0.346 12.764 -0.046 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.662 14.348 -0.727 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -1.837 13.442 0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -1.579 14.842 -0.852 1.00 0.00 H new ATOM 509 N PHE A 36 -0.502 9.912 -3.117 1.00 0.00 N ATOM 510 CA PHE A 36 -0.638 8.472 -2.987 1.00 0.00 C ATOM 511 C PHE A 36 0.702 7.787 -3.190 1.00 0.00 C ATOM 512 O PHE A 36 1.334 7.934 -4.236 1.00 0.00 O ATOM 513 CB PHE A 36 -1.641 7.930 -4.013 1.00 0.00 C ATOM 514 CG PHE A 36 -3.057 8.390 -3.799 1.00 0.00 C ATOM 515 CD1 PHE A 36 -3.660 8.272 -2.558 1.00 0.00 C ATOM 516 CD2 PHE A 36 -3.785 8.932 -4.845 1.00 0.00 C ATOM 517 CE1 PHE A 36 -4.959 8.693 -2.363 1.00 0.00 C ATOM 518 CE2 PHE A 36 -5.085 9.353 -4.656 1.00 0.00 C ATOM 519 CZ PHE A 36 -5.673 9.235 -3.415 1.00 0.00 C ATOM 0 H PHE A 36 0.080 10.210 -3.900 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.001 8.261 -1.981 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.321 8.231 -5.010 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.617 6.841 -3.986 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.107 7.846 -1.734 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.330 9.026 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.417 8.599 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.642 9.775 -5.480 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.690 9.566 -3.265 1.00 0.00 H new ATOM 529 N THR A 37 1.128 7.041 -2.195 1.00 0.00 N ATOM 530 CA THR A 37 2.349 6.279 -2.281 1.00 0.00 C ATOM 531 C THR A 37 2.030 4.795 -2.405 1.00 0.00 C ATOM 532 O THR A 37 1.145 4.281 -1.721 1.00 0.00 O ATOM 533 CB THR A 37 3.240 6.543 -1.053 1.00 0.00 C ATOM 534 OG1 THR A 37 3.688 7.901 -1.073 1.00 0.00 O ATOM 535 CG2 THR A 37 4.439 5.618 -1.033 1.00 0.00 C ATOM 0 H THR A 37 0.637 6.947 -1.306 1.00 0.00 H new ATOM 0 HA THR A 37 2.896 6.593 -3.170 1.00 0.00 H new ATOM 0 HB THR A 37 2.649 6.355 -0.157 1.00 0.00 H new ATOM 0 HG1 THR A 37 3.555 8.302 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.048 5.830 -0.154 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.099 4.583 -0.998 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.034 5.774 -1.933 1.00 0.00 H new ATOM 543 N VAL A 38 2.726 4.115 -3.295 1.00 0.00 N ATOM 544 CA VAL A 38 2.486 2.705 -3.506 1.00 0.00 C ATOM 545 C VAL A 38 3.795 1.925 -3.441 1.00 0.00 C ATOM 546 O VAL A 38 4.881 2.474 -3.676 1.00 0.00 O ATOM 547 CB VAL A 38 1.789 2.454 -4.868 1.00 0.00 C ATOM 548 CG1 VAL A 38 2.787 2.501 -6.008 1.00 0.00 C ATOM 549 CG2 VAL A 38 1.033 1.135 -4.862 1.00 0.00 C ATOM 0 H VAL A 38 3.459 4.516 -3.880 1.00 0.00 H new ATOM 0 HA VAL A 38 1.825 2.358 -2.712 1.00 0.00 H new ATOM 0 HB VAL A 38 1.065 3.254 -5.023 1.00 0.00 H new ATOM 0 HG11 VAL A 38 2.271 2.322 -6.951 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.262 3.481 -6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.547 1.734 -5.859 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.554 0.986 -5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 38 1.729 0.318 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.273 1.155 -4.081 1.00 0.00 H new ATOM 559 N PHE A 39 3.688 0.660 -3.081 1.00 0.00 N ATOM 560 CA PHE A 39 4.812 -0.251 -3.148 1.00 0.00 C ATOM 561 C PHE A 39 4.546 -1.258 -4.253 1.00 0.00 C ATOM 562 O PHE A 39 3.696 -2.140 -4.109 1.00 0.00 O ATOM 563 CB PHE A 39 5.031 -0.957 -1.807 1.00 0.00 C ATOM 564 CG PHE A 39 5.319 -0.012 -0.675 1.00 0.00 C ATOM 565 CD1 PHE A 39 6.572 0.564 -0.539 1.00 0.00 C ATOM 566 CD2 PHE A 39 4.338 0.301 0.253 1.00 0.00 C ATOM 567 CE1 PHE A 39 6.842 1.435 0.498 1.00 0.00 C ATOM 568 CE2 PHE A 39 4.602 1.171 1.294 1.00 0.00 C ATOM 569 CZ PHE A 39 5.855 1.740 1.416 1.00 0.00 C ATOM 0 H PHE A 39 2.826 0.238 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 39 5.722 0.307 -3.367 1.00 0.00 H new ATOM 0 HB2 PHE A 39 4.145 -1.543 -1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 39 5.860 -1.658 -1.905 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.347 0.329 -1.253 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.356 -0.140 0.162 1.00 0.00 H new ATOM 0 HE1 PHE A 39 7.823 1.877 0.591 1.00 0.00 H new ATOM 0 HE2 PHE A 39 3.830 1.406 2.011 1.00 0.00 H new ATOM 0 HZ PHE A 39 6.063 2.422 2.227 1.00 0.00 H new ATOM 579 N ALA A 40 5.264 -1.110 -5.350 1.00 0.00 N ATOM 580 CA ALA A 40 4.996 -1.869 -6.557 1.00 0.00 C ATOM 581 C ALA A 40 5.865 -3.110 -6.613 1.00 0.00 C ATOM 582 O ALA A 40 7.081 -3.024 -6.759 1.00 0.00 O ATOM 583 CB ALA A 40 5.228 -1.005 -7.784 1.00 0.00 C ATOM 0 H ALA A 40 6.048 -0.462 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 40 3.952 -2.183 -6.542 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.023 -1.587 -8.683 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.564 -0.141 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.264 -0.666 -7.800 1.00 0.00 H new ATOM 589 N PRO A 41 5.256 -4.283 -6.483 1.00 0.00 N ATOM 590 CA PRO A 41 5.984 -5.538 -6.526 1.00 0.00 C ATOM 591 C PRO A 41 6.351 -5.926 -7.955 1.00 0.00 C ATOM 592 O PRO A 41 5.501 -5.900 -8.847 1.00 0.00 O ATOM 593 CB PRO A 41 4.986 -6.525 -5.919 1.00 0.00 C ATOM 594 CG PRO A 41 3.644 -5.973 -6.253 1.00 0.00 C ATOM 595 CD PRO A 41 3.804 -4.478 -6.297 1.00 0.00 C ATOM 0 HA PRO A 41 6.935 -5.501 -5.995 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.116 -7.524 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 41 5.121 -6.609 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 41 3.293 -6.355 -7.212 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.906 -6.264 -5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.234 -4.039 -7.115 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.453 -4.011 -5.377 1.00 0.00 H new ATOM 603 N ASN A 42 7.621 -6.264 -8.185 1.00 0.00 N ATOM 604 CA ASN A 42 8.048 -6.683 -9.520 1.00 0.00 C ATOM 605 C ASN A 42 7.500 -8.062 -9.812 1.00 0.00 C ATOM 606 O ASN A 42 6.785 -8.619 -8.989 1.00 0.00 O ATOM 607 CB ASN A 42 9.580 -6.675 -9.684 1.00 0.00 C ATOM 608 CG ASN A 42 10.278 -7.928 -9.224 1.00 0.00 C ATOM 609 OD1 ASN A 42 10.426 -8.896 -9.967 1.00 0.00 O ATOM 610 ND2 ASN A 42 10.754 -7.897 -8.010 1.00 0.00 N ATOM 0 H ASN A 42 8.358 -6.257 -7.480 1.00 0.00 H new ATOM 0 HA ASN A 42 7.652 -5.961 -10.234 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.817 -6.511 -10.735 1.00 0.00 H new ATOM 0 HB3 ASN A 42 9.985 -5.828 -9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 42 11.272 -8.696 -7.645 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.609 -7.073 -7.426 1.00 0.00 H new ATOM 617 N ASP A 43 7.851 -8.624 -10.947 1.00 0.00 N ATOM 618 CA ASP A 43 7.309 -9.920 -11.348 1.00 0.00 C ATOM 619 C ASP A 43 7.554 -10.999 -10.292 1.00 0.00 C ATOM 620 O ASP A 43 6.756 -11.924 -10.156 1.00 0.00 O ATOM 621 CB ASP A 43 7.887 -10.374 -12.685 1.00 0.00 C ATOM 622 CG ASP A 43 7.413 -9.530 -13.850 1.00 0.00 C ATOM 623 OD1 ASP A 43 6.230 -9.648 -14.241 1.00 0.00 O ATOM 624 OD2 ASP A 43 8.221 -8.747 -14.390 1.00 0.00 O1- ATOM 0 H ASP A 43 8.506 -8.213 -11.612 1.00 0.00 H new ATOM 0 HA ASP A 43 6.233 -9.783 -11.453 1.00 0.00 H new ATOM 0 HB2 ASP A 43 8.975 -10.337 -12.636 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.611 -11.414 -12.860 1.00 0.00 H new ATOM 629 N ASP A 44 8.626 -10.864 -9.511 1.00 0.00 N ATOM 630 CA ASP A 44 8.975 -11.892 -8.539 1.00 0.00 C ATOM 631 C ASP A 44 8.252 -11.627 -7.239 1.00 0.00 C ATOM 632 O ASP A 44 7.997 -12.527 -6.445 1.00 0.00 O ATOM 633 CB ASP A 44 10.476 -11.918 -8.307 1.00 0.00 C ATOM 634 CG ASP A 44 10.909 -13.087 -7.439 1.00 0.00 C ATOM 635 OD1 ASP A 44 10.746 -14.247 -7.869 1.00 0.00 O ATOM 636 OD2 ASP A 44 11.433 -12.850 -6.333 1.00 0.00 O1- ATOM 0 H ASP A 44 9.258 -10.064 -9.533 1.00 0.00 H new ATOM 0 HA ASP A 44 8.671 -12.864 -8.928 1.00 0.00 H new ATOM 0 HB2 ASP A 44 10.988 -11.973 -9.268 1.00 0.00 H new ATOM 0 HB3 ASP A 44 10.784 -10.985 -7.835 1.00 0.00 H new ATOM 641 N ALA A 45 7.899 -10.374 -7.044 1.00 0.00 N ATOM 642 CA ALA A 45 7.154 -9.964 -5.880 1.00 0.00 C ATOM 643 C ALA A 45 5.670 -10.166 -6.133 1.00 0.00 C ATOM 644 O ALA A 45 4.910 -10.513 -5.240 1.00 0.00 O ATOM 645 CB ALA A 45 7.466 -8.528 -5.550 1.00 0.00 C ATOM 0 H ALA A 45 8.121 -9.615 -7.688 1.00 0.00 H new ATOM 0 HA ALA A 45 7.441 -10.573 -5.023 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.899 -8.226 -4.669 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.532 -8.424 -5.349 1.00 0.00 H new ATOM 0 HB3 ALA A 45 7.193 -7.893 -6.393 1.00 0.00 H new ATOM 651 N PHE A 46 5.276 -9.982 -7.381 1.00 0.00 N ATOM 652 CA PHE A 46 3.923 -10.272 -7.825 1.00 0.00 C ATOM 653 C PHE A 46 3.677 -11.769 -7.669 1.00 0.00 C ATOM 654 O PHE A 46 2.545 -12.240 -7.610 1.00 0.00 O ATOM 655 CB PHE A 46 3.772 -9.845 -9.287 1.00 0.00 C ATOM 656 CG PHE A 46 2.349 -9.709 -9.755 1.00 0.00 C ATOM 657 CD1 PHE A 46 1.649 -10.805 -10.235 1.00 0.00 C ATOM 658 CD2 PHE A 46 1.716 -8.477 -9.722 1.00 0.00 C ATOM 659 CE1 PHE A 46 0.343 -10.675 -10.668 1.00 0.00 C ATOM 660 CE2 PHE A 46 0.410 -8.341 -10.153 1.00 0.00 C ATOM 661 CZ PHE A 46 -0.276 -9.440 -10.627 1.00 0.00 C ATOM 0 H PHE A 46 5.886 -9.627 -8.117 1.00 0.00 H new ATOM 0 HA PHE A 46 3.193 -9.725 -7.229 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.280 -8.891 -9.428 1.00 0.00 H new ATOM 0 HB3 PHE A 46 4.281 -10.573 -9.919 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.130 -11.771 -10.271 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.250 -7.613 -9.355 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -0.193 -11.537 -11.038 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.073 -7.376 -10.119 1.00 0.00 H new ATOM 0 HZ PHE A 46 -1.296 -9.335 -10.966 1.00 0.00 H new ATOM 671 N ALA A 47 4.780 -12.494 -7.593 1.00 0.00 N ATOM 672 CA ALA A 47 4.778 -13.935 -7.423 1.00 0.00 C ATOM 673 C ALA A 47 4.603 -14.308 -5.948 1.00 0.00 C ATOM 674 O ALA A 47 4.417 -15.473 -5.604 1.00 0.00 O ATOM 675 CB ALA A 47 6.074 -14.501 -7.975 1.00 0.00 C ATOM 0 H ALA A 47 5.715 -12.091 -7.649 1.00 0.00 H new ATOM 0 HA ALA A 47 3.938 -14.362 -7.970 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.080 -15.584 -7.851 1.00 0.00 H new ATOM 0 HB2 ALA A 47 6.156 -14.257 -9.034 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.918 -14.069 -7.437 1.00 0.00 H new ATOM 681 N LYS A 48 4.673 -13.300 -5.085 1.00 0.00 N ATOM 682 CA LYS A 48 4.460 -13.479 -3.648 1.00 0.00 C ATOM 683 C LYS A 48 2.992 -13.270 -3.323 1.00 0.00 C ATOM 684 O LYS A 48 2.469 -13.776 -2.328 1.00 0.00 O ATOM 685 CB LYS A 48 5.288 -12.470 -2.865 1.00 0.00 C ATOM 686 CG LYS A 48 6.692 -12.289 -3.404 1.00 0.00 C ATOM 687 CD LYS A 48 7.517 -13.548 -3.260 1.00 0.00 C ATOM 688 CE LYS A 48 7.735 -13.914 -1.802 1.00 0.00 C ATOM 689 NZ LYS A 48 8.671 -15.058 -1.652 1.00 0.00 N1+ ATOM 0 H LYS A 48 4.878 -12.339 -5.357 1.00 0.00 H new ATOM 0 HA LYS A 48 4.764 -14.489 -3.371 1.00 0.00 H new ATOM 0 HB2 LYS A 48 4.777 -11.507 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 48 5.346 -12.789 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 6.644 -12.005 -4.455 1.00 0.00 H new ATOM 0 HG3 LYS A 48 7.182 -11.471 -2.875 1.00 0.00 H new ATOM 0 HD2 LYS A 48 7.017 -14.371 -3.771 1.00 0.00 H new ATOM 0 HD3 LYS A 48 8.482 -13.409 -3.748 1.00 0.00 H new ATOM 0 HE2 LYS A 48 8.128 -13.050 -1.266 1.00 0.00 H new ATOM 0 HE3 LYS A 48 6.778 -14.165 -1.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 8.793 -15.277 -0.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 8.284 -15.890 -2.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 9.592 -14.810 -2.066 1.00 0.00 H new ATOM 703 N LEU A 49 2.355 -12.488 -4.179 1.00 0.00 N ATOM 704 CA LEU A 49 0.942 -12.153 -4.067 1.00 0.00 C ATOM 705 C LEU A 49 0.011 -13.369 -3.958 1.00 0.00 C ATOM 706 O LEU A 49 -0.805 -13.423 -3.037 1.00 0.00 O ATOM 707 CB LEU A 49 0.552 -11.290 -5.259 1.00 0.00 C ATOM 708 CG LEU A 49 1.177 -9.900 -5.243 1.00 0.00 C ATOM 709 CD1 LEU A 49 0.694 -9.070 -6.407 1.00 0.00 C ATOM 710 CD2 LEU A 49 0.872 -9.208 -3.931 1.00 0.00 C ATOM 0 H LEU A 49 2.811 -12.060 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 49 0.814 -11.612 -3.129 1.00 0.00 H new ATOM 0 HB2 LEU A 49 0.846 -11.800 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.533 -11.190 -5.284 1.00 0.00 H new ATOM 0 HG LEU A 49 2.257 -10.010 -5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.157 -8.084 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.965 -9.562 -7.341 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.390 -8.964 -6.353 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.323 -8.216 -3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.207 -9.116 -3.810 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.281 -9.793 -3.107 1.00 0.00 H new ATOM 722 N PRO A 50 0.106 -14.352 -4.881 1.00 0.00 N ATOM 723 CA PRO A 50 -0.843 -15.474 -4.947 1.00 0.00 C ATOM 724 C PRO A 50 -0.904 -16.292 -3.658 1.00 0.00 C ATOM 725 O PRO A 50 -0.109 -17.214 -3.453 1.00 0.00 O ATOM 726 CB PRO A 50 -0.330 -16.335 -6.109 1.00 0.00 C ATOM 727 CG PRO A 50 1.072 -15.891 -6.346 1.00 0.00 C ATOM 728 CD PRO A 50 1.132 -14.451 -5.930 1.00 0.00 C ATOM 0 HA PRO A 50 -1.861 -15.112 -5.089 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.369 -17.395 -5.859 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.942 -16.196 -7.000 1.00 0.00 H new ATOM 0 HG2 PRO A 50 1.774 -16.493 -5.768 1.00 0.00 H new ATOM 0 HG3 PRO A 50 1.344 -16.005 -7.395 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.119 -14.183 -5.552 1.00 0.00 H new ATOM 0 HD3 PRO A 50 0.918 -13.783 -6.764 1.00 0.00 H new ATOM 736 N ASP A 51 -1.860 -15.933 -2.800 1.00 0.00 N ATOM 737 CA ASP A 51 -2.091 -16.616 -1.529 1.00 0.00 C ATOM 738 C ASP A 51 -0.804 -16.725 -0.723 1.00 0.00 C ATOM 739 O ASP A 51 -0.422 -17.804 -0.270 1.00 0.00 O ATOM 740 CB ASP A 51 -2.711 -17.999 -1.754 1.00 0.00 C ATOM 741 CG ASP A 51 -4.126 -17.916 -2.290 1.00 0.00 C ATOM 742 OD1 ASP A 51 -5.062 -17.709 -1.489 1.00 0.00 O ATOM 743 OD2 ASP A 51 -4.316 -18.046 -3.519 1.00 0.00 O1- ATOM 0 H ASP A 51 -2.499 -15.156 -2.969 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.798 -16.018 -0.954 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.093 -18.562 -2.453 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.713 -18.551 -0.814 1.00 0.00 H new ATOM 748 N GLY A 52 -0.130 -15.596 -0.565 1.00 0.00 N ATOM 749 CA GLY A 52 1.101 -15.565 0.192 1.00 0.00 C ATOM 750 C GLY A 52 1.125 -14.437 1.198 1.00 0.00 C ATOM 751 O GLY A 52 0.479 -14.512 2.244 1.00 0.00 O ATOM 0 H GLY A 52 -0.417 -14.696 -0.951 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.230 -16.515 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.943 -15.458 -0.492 1.00 0.00 H new ATOM 755 N THR A 53 1.849 -13.381 0.860 1.00 0.00 N ATOM 756 CA THR A 53 2.032 -12.240 1.747 1.00 0.00 C ATOM 757 C THR A 53 0.702 -11.629 2.162 1.00 0.00 C ATOM 758 O THR A 53 0.379 -11.570 3.349 1.00 0.00 O ATOM 759 CB THR A 53 2.864 -11.144 1.068 1.00 0.00 C ATOM 760 OG1 THR A 53 4.131 -11.664 0.643 1.00 0.00 O ATOM 761 CG2 THR A 53 3.074 -9.971 2.013 1.00 0.00 C ATOM 0 H THR A 53 2.327 -13.290 -0.037 1.00 0.00 H new ATOM 0 HA THR A 53 2.550 -12.617 2.629 1.00 0.00 H new ATOM 0 HB THR A 53 2.317 -10.795 0.192 1.00 0.00 H new ATOM 0 HG1 THR A 53 4.795 -10.944 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.666 -9.204 1.514 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.107 -9.556 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 53 3.599 -10.312 2.905 1.00 0.00 H new ATOM 769 N ILE A 54 -0.073 -11.187 1.177 1.00 0.00 N ATOM 770 CA ILE A 54 -1.325 -10.490 1.445 1.00 0.00 C ATOM 771 C ILE A 54 -2.280 -11.369 2.247 1.00 0.00 C ATOM 772 O ILE A 54 -3.119 -10.875 2.998 1.00 0.00 O ATOM 773 CB ILE A 54 -1.980 -9.976 0.138 1.00 0.00 C ATOM 774 CG1 ILE A 54 -1.539 -8.531 -0.120 1.00 0.00 C ATOM 775 CG2 ILE A 54 -3.500 -10.083 0.169 1.00 0.00 C ATOM 776 CD1 ILE A 54 -0.092 -8.402 -0.514 1.00 0.00 C ATOM 0 H ILE A 54 0.144 -11.299 0.187 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.095 -9.615 2.053 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.642 -10.612 -0.680 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.160 -8.106 -0.908 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.716 -7.940 0.779 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -3.910 -9.710 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -3.789 -11.126 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.890 -9.490 0.996 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.148 -7.352 -0.680 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.539 -8.796 0.283 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.087 -8.964 -1.430 1.00 0.00 H new ATOM 788 N THR A 55 -2.106 -12.670 2.125 1.00 0.00 N ATOM 789 CA THR A 55 -2.904 -13.617 2.875 1.00 0.00 C ATOM 790 C THR A 55 -2.641 -13.504 4.374 1.00 0.00 C ATOM 791 O THR A 55 -3.551 -13.607 5.174 1.00 0.00 O ATOM 792 CB THR A 55 -2.628 -15.047 2.423 1.00 0.00 C ATOM 793 OG1 THR A 55 -2.971 -15.186 1.040 1.00 0.00 O ATOM 794 CG2 THR A 55 -3.422 -16.034 3.267 1.00 0.00 C ATOM 0 H THR A 55 -1.414 -13.097 1.509 1.00 0.00 H new ATOM 0 HA THR A 55 -3.949 -13.375 2.681 1.00 0.00 H new ATOM 0 HB THR A 55 -1.568 -15.263 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.665 -15.871 0.942 1.00 0.00 H new ATOM 0 HG21 THR A 55 -3.214 -17.050 2.931 1.00 0.00 H new ATOM 0 HG22 THR A 55 -3.135 -15.931 4.313 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.487 -15.828 3.161 1.00 0.00 H new ATOM 802 N SER A 56 -1.397 -13.282 4.747 1.00 0.00 N ATOM 803 CA SER A 56 -1.044 -13.115 6.144 1.00 0.00 C ATOM 804 C SER A 56 -1.386 -11.701 6.580 1.00 0.00 C ATOM 805 O SER A 56 -1.701 -11.435 7.740 1.00 0.00 O ATOM 806 CB SER A 56 0.446 -13.405 6.344 1.00 0.00 C ATOM 807 OG SER A 56 0.834 -13.245 7.698 1.00 0.00 O ATOM 0 H SER A 56 -0.611 -13.213 4.101 1.00 0.00 H new ATOM 0 HA SER A 56 -1.610 -13.818 6.756 1.00 0.00 H new ATOM 0 HB2 SER A 56 0.665 -14.422 6.020 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.034 -12.737 5.715 1.00 0.00 H new ATOM 0 HG SER A 56 1.790 -13.439 7.789 1.00 0.00 H new ATOM 813 N LEU A 57 -1.357 -10.814 5.609 1.00 0.00 N ATOM 814 CA LEU A 57 -1.670 -9.412 5.819 1.00 0.00 C ATOM 815 C LEU A 57 -3.164 -9.208 6.043 1.00 0.00 C ATOM 816 O LEU A 57 -3.568 -8.265 6.718 1.00 0.00 O ATOM 817 CB LEU A 57 -1.200 -8.598 4.631 1.00 0.00 C ATOM 818 CG LEU A 57 0.216 -8.024 4.741 1.00 0.00 C ATOM 819 CD1 LEU A 57 1.232 -9.107 5.071 1.00 0.00 C ATOM 820 CD2 LEU A 57 0.597 -7.319 3.448 1.00 0.00 C ATOM 0 H LEU A 57 -1.115 -11.044 4.645 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.149 -9.074 6.715 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.251 -9.225 3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.896 -7.773 4.480 1.00 0.00 H new ATOM 0 HG LEU A 57 0.223 -7.302 5.558 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.226 -8.664 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.973 -9.571 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.226 -9.863 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.605 -6.915 3.537 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.563 -8.030 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.104 -6.506 3.256 1.00 0.00 H new ATOM 832 N VAL A 58 -3.985 -10.094 5.481 1.00 0.00 N ATOM 833 CA VAL A 58 -5.424 -10.008 5.689 1.00 0.00 C ATOM 834 C VAL A 58 -5.783 -10.555 7.061 1.00 0.00 C ATOM 835 O VAL A 58 -6.781 -10.159 7.663 1.00 0.00 O ATOM 836 CB VAL A 58 -6.224 -10.773 4.614 1.00 0.00 C ATOM 837 CG1 VAL A 58 -6.046 -12.274 4.774 1.00 0.00 C ATOM 838 CG2 VAL A 58 -7.694 -10.390 4.676 1.00 0.00 C ATOM 0 H VAL A 58 -3.682 -10.867 4.888 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.693 -8.954 5.616 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.838 -10.494 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.619 -12.792 4.005 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.991 -12.528 4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.400 -12.579 5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -8.245 -10.938 3.912 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -8.093 -10.638 5.659 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -7.799 -9.319 4.501 1.00 0.00 H new ATOM 848 N GLN A 59 -4.959 -11.474 7.549 1.00 0.00 N ATOM 849 CA GLN A 59 -5.150 -12.034 8.869 1.00 0.00 C ATOM 850 C GLN A 59 -4.800 -10.979 9.905 1.00 0.00 C ATOM 851 O GLN A 59 -5.346 -10.928 11.010 1.00 0.00 O ATOM 852 CB GLN A 59 -4.242 -13.242 9.033 1.00 0.00 C ATOM 853 CG GLN A 59 -4.262 -14.151 7.826 1.00 0.00 C ATOM 854 CD GLN A 59 -5.334 -15.213 7.877 1.00 0.00 C ATOM 855 OE1 GLN A 59 -5.745 -15.654 8.948 1.00 0.00 O ATOM 856 NE2 GLN A 59 -5.778 -15.644 6.709 1.00 0.00 N ATOM 0 H GLN A 59 -4.153 -11.844 7.045 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.187 -12.344 9.002 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.221 -12.903 9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -4.549 -13.806 9.914 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.406 -13.546 6.931 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -3.290 -14.634 7.731 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -5.407 -15.248 5.845 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -6.491 -16.372 6.672 1.00 0.00 H new ATOM 865 N ASN A 60 -3.882 -10.135 9.486 1.00 0.00 N ATOM 866 CA ASN A 60 -3.336 -9.061 10.274 1.00 0.00 C ATOM 867 C ASN A 60 -4.291 -7.870 10.342 1.00 0.00 C ATOM 868 O ASN A 60 -5.284 -7.833 9.615 1.00 0.00 O ATOM 869 CB ASN A 60 -2.004 -8.639 9.662 1.00 0.00 C ATOM 870 CG ASN A 60 -0.809 -9.212 10.395 1.00 0.00 C ATOM 871 OD1 ASN A 60 -0.310 -8.625 11.354 1.00 0.00 O ATOM 872 ND2 ASN A 60 -0.336 -10.356 9.941 1.00 0.00 N ATOM 0 H ASN A 60 -3.482 -10.184 8.549 1.00 0.00 H new ATOM 0 HA ASN A 60 -3.188 -9.411 11.296 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.972 -8.958 8.620 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.938 -7.551 9.664 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.473 -10.787 10.388 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.779 -10.810 9.143 1.00 0.00 H new ATOM 879 N PRO A 61 -4.035 -6.926 11.271 1.00 0.00 N ATOM 880 CA PRO A 61 -4.775 -5.650 11.391 1.00 0.00 C ATOM 881 C PRO A 61 -5.111 -4.980 10.032 1.00 0.00 C ATOM 882 O PRO A 61 -4.588 -5.391 9.000 1.00 0.00 O ATOM 883 CB PRO A 61 -3.800 -4.797 12.208 1.00 0.00 C ATOM 884 CG PRO A 61 -3.133 -5.771 13.108 1.00 0.00 C ATOM 885 CD PRO A 61 -2.992 -7.038 12.315 1.00 0.00 C ATOM 0 HA PRO A 61 -5.758 -5.785 11.843 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.080 -4.290 11.566 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.323 -4.025 12.773 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.159 -5.402 13.430 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.724 -5.938 14.009 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.998 -7.126 11.878 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.145 -7.918 12.939 1.00 0.00 H new ATOM 893 N PRO A 62 -5.980 -3.924 10.065 1.00 0.00 N ATOM 894 CA PRO A 62 -6.666 -3.259 8.905 1.00 0.00 C ATOM 895 C PRO A 62 -5.951 -3.154 7.532 1.00 0.00 C ATOM 896 O PRO A 62 -6.582 -2.730 6.562 1.00 0.00 O ATOM 897 CB PRO A 62 -6.907 -1.864 9.441 1.00 0.00 C ATOM 898 CG PRO A 62 -7.183 -2.057 10.886 1.00 0.00 C ATOM 899 CD PRO A 62 -6.392 -3.260 11.323 1.00 0.00 C ATOM 0 HA PRO A 62 -7.522 -3.876 8.633 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.038 -1.225 9.286 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.748 -1.386 8.938 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.892 -1.175 11.456 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -8.248 -2.211 11.059 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -5.526 -2.969 11.918 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.994 -3.925 11.942 1.00 0.00 H new ATOM 907 N GLN A 63 -4.676 -3.499 7.447 1.00 0.00 N ATOM 908 CA GLN A 63 -3.897 -3.468 6.195 1.00 0.00 C ATOM 909 C GLN A 63 -4.675 -3.996 4.971 1.00 0.00 C ATOM 910 O GLN A 63 -4.392 -3.591 3.836 1.00 0.00 O ATOM 911 CB GLN A 63 -2.613 -4.280 6.408 1.00 0.00 C ATOM 912 CG GLN A 63 -2.214 -5.120 5.241 1.00 0.00 C ATOM 913 CD GLN A 63 -1.125 -4.495 4.419 1.00 0.00 C ATOM 914 OE1 GLN A 63 -0.246 -3.795 4.918 1.00 0.00 O ATOM 915 NE2 GLN A 63 -1.216 -4.731 3.143 1.00 0.00 N ATOM 0 H GLN A 63 -4.135 -3.815 8.252 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.669 -2.427 5.968 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.799 -3.594 6.642 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.746 -4.925 7.276 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.880 -6.094 5.598 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.085 -5.294 4.609 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.968 -5.320 2.786 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -0.535 -4.327 2.500 1.00 0.00 H new ATOM 924 N LEU A 64 -5.655 -4.865 5.202 1.00 0.00 N ATOM 925 CA LEU A 64 -6.491 -5.407 4.138 1.00 0.00 C ATOM 926 C LEU A 64 -7.096 -4.306 3.274 1.00 0.00 C ATOM 927 O LEU A 64 -6.996 -4.347 2.048 1.00 0.00 O ATOM 928 CB LEU A 64 -7.619 -6.241 4.741 1.00 0.00 C ATOM 929 CG LEU A 64 -8.812 -6.452 3.819 1.00 0.00 C ATOM 930 CD1 LEU A 64 -8.482 -7.448 2.715 1.00 0.00 C ATOM 931 CD2 LEU A 64 -10.038 -6.887 4.601 1.00 0.00 C ATOM 0 H LEU A 64 -5.891 -5.212 6.132 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.855 -6.027 3.506 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.221 -7.214 5.027 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.963 -5.756 5.655 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.041 -5.497 3.347 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.352 -7.579 2.072 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.647 -7.072 2.124 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.211 -8.406 3.158 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.874 -7.030 3.917 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.827 -7.824 5.117 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.294 -6.120 5.332 1.00 0.00 H new ATOM 943 N GLY A 65 -7.717 -3.332 3.928 1.00 0.00 N ATOM 944 CA GLY A 65 -8.439 -2.272 3.228 1.00 0.00 C ATOM 945 C GLY A 65 -7.610 -1.585 2.157 1.00 0.00 C ATOM 946 O GLY A 65 -8.135 -1.128 1.143 1.00 0.00 O ATOM 0 H GLY A 65 -7.736 -3.253 4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.334 -2.693 2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.771 -1.529 3.953 1.00 0.00 H new ATOM 950 N ARG A 66 -6.313 -1.525 2.391 1.00 0.00 N ATOM 951 CA ARG A 66 -5.380 -0.900 1.474 1.00 0.00 C ATOM 952 C ARG A 66 -5.147 -1.786 0.263 1.00 0.00 C ATOM 953 O ARG A 66 -5.199 -1.334 -0.881 1.00 0.00 O ATOM 954 CB ARG A 66 -4.086 -0.625 2.231 1.00 0.00 C ATOM 955 CG ARG A 66 -2.835 -0.666 1.389 1.00 0.00 C ATOM 956 CD ARG A 66 -2.047 -1.935 1.633 1.00 0.00 C ATOM 957 NE ARG A 66 -0.667 -1.813 1.162 1.00 0.00 N ATOM 958 CZ ARG A 66 0.386 -1.650 1.971 1.00 0.00 C ATOM 959 NH1 ARG A 66 0.215 -1.572 3.284 1.00 0.00 N1+ ATOM 960 NH2 ARG A 66 1.609 -1.554 1.464 1.00 0.00 N ATOM 0 H ARG A 66 -5.875 -1.911 3.227 1.00 0.00 H new ATOM 0 HA ARG A 66 -5.785 0.040 1.100 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.158 0.356 2.700 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.990 -1.356 3.034 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -3.102 -0.599 0.334 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.213 0.200 1.616 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.049 -2.166 2.698 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -2.533 -2.768 1.125 1.00 0.00 H new ATOM 0 HE ARG A 66 -0.498 -1.855 0.157 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.722 -1.636 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.021 -1.448 3.897 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.748 -1.604 0.455 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.410 -1.430 2.084 1.00 0.00 H new ATOM 974 N ILE A 67 -4.863 -3.043 0.549 1.00 0.00 N ATOM 975 CA ILE A 67 -4.721 -4.084 -0.463 1.00 0.00 C ATOM 976 C ILE A 67 -5.826 -4.047 -1.523 1.00 0.00 C ATOM 977 O ILE A 67 -5.536 -4.070 -2.718 1.00 0.00 O ATOM 978 CB ILE A 67 -4.755 -5.468 0.206 1.00 0.00 C ATOM 979 CG1 ILE A 67 -3.690 -5.549 1.296 1.00 0.00 C ATOM 980 CG2 ILE A 67 -4.570 -6.571 -0.824 1.00 0.00 C ATOM 981 CD1 ILE A 67 -3.736 -6.831 2.090 1.00 0.00 C ATOM 0 H ILE A 67 -4.722 -3.378 1.502 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.768 -3.900 -0.958 1.00 0.00 H new ATOM 0 HB ILE A 67 -5.732 -5.609 0.668 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.706 -5.450 0.839 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -3.812 -4.706 1.976 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.598 -7.541 -0.327 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.371 -6.518 -1.562 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.609 -6.446 -1.322 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.951 -6.819 2.846 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -4.707 -6.923 2.576 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -3.583 -7.678 1.422 1.00 0.00 H new ATOM 993 N LEU A 68 -7.078 -3.973 -1.069 1.00 0.00 N ATOM 994 CA LEU A 68 -8.239 -4.210 -1.932 1.00 0.00 C ATOM 995 C LEU A 68 -8.201 -3.461 -3.261 1.00 0.00 C ATOM 996 O LEU A 68 -8.121 -4.092 -4.316 1.00 0.00 O ATOM 997 CB LEU A 68 -9.543 -3.846 -1.211 1.00 0.00 C ATOM 998 CG LEU A 68 -10.147 -4.922 -0.303 1.00 0.00 C ATOM 999 CD1 LEU A 68 -9.557 -6.289 -0.602 1.00 0.00 C ATOM 1000 CD2 LEU A 68 -9.965 -4.556 1.161 1.00 0.00 C ATOM 0 H LEU A 68 -7.316 -3.749 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.199 -5.276 -2.157 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.363 -2.955 -0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -10.285 -3.579 -1.963 1.00 0.00 H new ATOM 0 HG LEU A 68 -11.216 -4.973 -0.509 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.005 -7.031 0.058 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -9.762 -6.555 -1.639 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -8.479 -6.263 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -10.401 -5.334 1.787 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.902 -4.464 1.384 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -10.461 -3.607 1.363 1.00 0.00 H new ATOM 1012 N LYS A 69 -8.252 -2.135 -3.234 1.00 0.00 N ATOM 1013 CA LYS A 69 -8.457 -1.406 -4.479 1.00 0.00 C ATOM 1014 C LYS A 69 -7.161 -1.055 -5.202 1.00 0.00 C ATOM 1015 O LYS A 69 -6.881 -1.604 -6.264 1.00 0.00 O ATOM 1016 CB LYS A 69 -9.258 -0.128 -4.213 1.00 0.00 C ATOM 1017 CG LYS A 69 -10.768 -0.327 -4.211 1.00 0.00 C ATOM 1018 CD LYS A 69 -11.287 -0.621 -5.611 1.00 0.00 C ATOM 1019 CE LYS A 69 -12.806 -0.699 -5.647 1.00 0.00 C ATOM 1020 NZ LYS A 69 -13.318 -0.932 -7.024 1.00 0.00 N1+ ATOM 0 H LYS A 69 -8.158 -1.560 -2.397 1.00 0.00 H new ATOM 0 HA LYS A 69 -9.012 -2.076 -5.136 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.956 0.283 -3.250 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -9.001 0.613 -4.970 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -11.028 -1.149 -3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -11.255 0.567 -3.820 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.947 0.156 -6.295 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.866 -1.563 -5.964 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -13.144 -1.503 -4.993 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -13.226 0.227 -5.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -14.357 -0.979 -7.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -13.018 -0.152 -7.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.938 -1.829 -7.389 1.00 0.00 H new ATOM 1034 N TYR A 70 -6.371 -0.148 -4.641 1.00 0.00 N ATOM 1035 CA TYR A 70 -5.190 0.298 -5.313 1.00 0.00 C ATOM 1036 C TYR A 70 -3.903 0.187 -4.492 1.00 0.00 C ATOM 1037 O TYR A 70 -2.911 0.839 -4.815 1.00 0.00 O ATOM 1038 CB TYR A 70 -5.483 1.686 -5.865 1.00 0.00 C ATOM 1039 CG TYR A 70 -5.821 2.808 -4.893 1.00 0.00 C ATOM 1040 CD1 TYR A 70 -6.839 2.676 -3.950 1.00 0.00 C ATOM 1041 CD2 TYR A 70 -5.180 4.040 -4.989 1.00 0.00 C ATOM 1042 CE1 TYR A 70 -7.200 3.729 -3.132 1.00 0.00 C ATOM 1043 CE2 TYR A 70 -5.529 5.095 -4.164 1.00 0.00 C ATOM 1044 CZ TYR A 70 -6.542 4.934 -3.239 1.00 0.00 C ATOM 1045 OH TYR A 70 -6.901 5.981 -2.423 1.00 0.00 O ATOM 0 H TYR A 70 -6.537 0.281 -3.731 1.00 0.00 H new ATOM 0 HA TYR A 70 -4.963 -0.378 -6.138 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -4.614 2.001 -6.443 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.314 1.594 -6.564 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.356 1.732 -3.857 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -4.397 4.175 -5.720 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -7.995 3.608 -2.411 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -5.012 6.040 -4.243 1.00 0.00 H new ATOM 0 HH TYR A 70 -6.243 6.702 -2.507 1.00 0.00 H new ATOM 1055 N HIS A 71 -3.923 -0.636 -3.432 1.00 0.00 N ATOM 1056 CA HIS A 71 -2.683 -1.080 -2.769 1.00 0.00 C ATOM 1057 C HIS A 71 -1.881 0.121 -2.245 1.00 0.00 C ATOM 1058 O HIS A 71 -0.655 0.080 -2.135 1.00 0.00 O ATOM 1059 CB HIS A 71 -1.865 -1.898 -3.794 1.00 0.00 C ATOM 1060 CG HIS A 71 -0.656 -2.621 -3.268 1.00 0.00 C ATOM 1061 ND1 HIS A 71 -0.703 -3.902 -2.764 1.00 0.00 N ATOM 1062 CD2 HIS A 71 0.648 -2.259 -3.235 1.00 0.00 C ATOM 1063 CE1 HIS A 71 0.517 -4.292 -2.444 1.00 0.00 C ATOM 1064 NE2 HIS A 71 1.361 -3.315 -2.721 1.00 0.00 N ATOM 0 H HIS A 71 -4.778 -1.007 -3.016 1.00 0.00 H new ATOM 0 HA HIS A 71 -2.919 -1.700 -1.904 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -2.529 -2.632 -4.251 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.541 -1.224 -4.587 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.055 -1.311 -3.555 1.00 0.00 H new ATOM 0 HE1 HIS A 71 0.781 -5.252 -2.025 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.371 -3.340 -2.578 1.00 0.00 H new ATOM 1073 N VAL A 72 -2.594 1.167 -1.874 1.00 0.00 N ATOM 1074 CA VAL A 72 -1.985 2.470 -1.671 1.00 0.00 C ATOM 1075 C VAL A 72 -1.834 2.849 -0.201 1.00 0.00 C ATOM 1076 O VAL A 72 -2.486 2.297 0.689 1.00 0.00 O ATOM 1077 CB VAL A 72 -2.847 3.544 -2.354 1.00 0.00 C ATOM 1078 CG1 VAL A 72 -4.080 3.830 -1.512 1.00 0.00 C ATOM 1079 CG2 VAL A 72 -2.055 4.813 -2.616 1.00 0.00 C ATOM 0 H VAL A 72 -3.600 1.141 -1.706 1.00 0.00 H new ATOM 0 HA VAL A 72 -0.985 2.413 -2.102 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.166 3.162 -3.324 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.686 4.592 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.665 2.917 -1.401 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.774 4.187 -0.528 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.697 5.549 -3.100 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -1.689 5.215 -1.671 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -1.209 4.587 -3.265 1.00 0.00 H new ATOM 1089 N VAL A 73 -0.939 3.788 0.020 1.00 0.00 N ATOM 1090 CA VAL A 73 -0.863 4.535 1.257 1.00 0.00 C ATOM 1091 C VAL A 73 -0.732 6.023 0.931 1.00 0.00 C ATOM 1092 O VAL A 73 0.197 6.441 0.242 1.00 0.00 O ATOM 1093 CB VAL A 73 0.310 4.077 2.150 1.00 0.00 C ATOM 1094 CG1 VAL A 73 1.593 3.916 1.350 1.00 0.00 C ATOM 1095 CG2 VAL A 73 0.517 5.065 3.277 1.00 0.00 C ATOM 0 H VAL A 73 -0.233 4.058 -0.665 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.777 4.350 1.821 1.00 0.00 H new ATOM 0 HB VAL A 73 0.055 3.102 2.566 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.396 3.593 2.012 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.444 3.170 0.569 1.00 0.00 H new ATOM 0 HG13 VAL A 73 1.860 4.870 0.894 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.346 4.735 3.903 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.744 6.047 2.863 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -0.390 5.126 3.879 1.00 0.00 H new ATOM 1105 N ALA A 74 -1.689 6.809 1.394 1.00 0.00 N ATOM 1106 CA ALA A 74 -1.700 8.244 1.129 1.00 0.00 C ATOM 1107 C ALA A 74 -0.517 8.938 1.768 1.00 0.00 C ATOM 1108 O ALA A 74 -0.066 8.567 2.851 1.00 0.00 O ATOM 1109 CB ALA A 74 -2.980 8.844 1.656 1.00 0.00 C ATOM 0 H ALA A 74 -2.473 6.479 1.958 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.633 8.388 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -2.988 9.916 1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.832 8.377 1.161 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -3.047 8.673 2.730 1.00 0.00 H new ATOM 1115 N GLY A 75 -0.037 9.960 1.091 1.00 0.00 N ATOM 1116 CA GLY A 75 1.108 10.687 1.568 1.00 0.00 C ATOM 1117 C GLY A 75 2.317 10.430 0.706 1.00 0.00 C ATOM 1118 O GLY A 75 2.972 9.410 0.849 1.00 0.00 O ATOM 0 H GLY A 75 -0.425 10.301 0.211 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.886 11.754 1.578 1.00 0.00 H new ATOM 0 HA3 GLY A 75 1.323 10.397 2.596 1.00 0.00 H new ATOM 1122 N ALA A 76 2.573 11.335 -0.221 1.00 0.00 N ATOM 1123 CA ALA A 76 3.728 11.251 -1.101 1.00 0.00 C ATOM 1124 C ALA A 76 5.020 11.228 -0.306 1.00 0.00 C ATOM 1125 O ALA A 76 5.441 12.239 0.258 1.00 0.00 O ATOM 1126 CB ALA A 76 3.737 12.416 -2.076 1.00 0.00 C ATOM 0 H ALA A 76 1.985 12.152 -0.387 1.00 0.00 H new ATOM 0 HA ALA A 76 3.655 10.319 -1.662 1.00 0.00 H new ATOM 0 HB1 ALA A 76 4.607 12.339 -2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.829 12.393 -2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.781 13.354 -1.522 1.00 0.00 H new ATOM 1132 N TYR A 77 5.626 10.064 -0.246 1.00 0.00 N ATOM 1133 CA TYR A 77 6.917 9.913 0.424 1.00 0.00 C ATOM 1134 C TYR A 77 7.991 9.515 -0.574 1.00 0.00 C ATOM 1135 O TYR A 77 7.895 8.452 -1.191 1.00 0.00 O ATOM 1136 CB TYR A 77 6.895 8.832 1.511 1.00 0.00 C ATOM 1137 CG TYR A 77 5.625 8.706 2.325 1.00 0.00 C ATOM 1138 CD1 TYR A 77 5.198 9.724 3.167 1.00 0.00 C ATOM 1139 CD2 TYR A 77 4.876 7.535 2.277 1.00 0.00 C ATOM 1140 CE1 TYR A 77 4.056 9.579 3.936 1.00 0.00 C ATOM 1141 CE2 TYR A 77 3.731 7.384 3.034 1.00 0.00 C ATOM 1142 CZ TYR A 77 3.326 8.408 3.863 1.00 0.00 C ATOM 1143 OH TYR A 77 2.197 8.255 4.634 1.00 0.00 O ATOM 0 H TYR A 77 5.254 9.204 -0.649 1.00 0.00 H new ATOM 0 HA TYR A 77 7.130 10.880 0.879 1.00 0.00 H new ATOM 0 HB2 TYR A 77 7.091 7.870 1.037 1.00 0.00 H new ATOM 0 HB3 TYR A 77 7.720 9.024 2.197 1.00 0.00 H new ATOM 0 HD1 TYR A 77 5.765 10.642 3.223 1.00 0.00 H new ATOM 0 HD2 TYR A 77 5.196 6.728 1.635 1.00 0.00 H new ATOM 0 HE1 TYR A 77 3.737 10.377 4.590 1.00 0.00 H new ATOM 0 HE2 TYR A 77 3.157 6.471 2.977 1.00 0.00 H new ATOM 0 HH TYR A 77 1.401 8.354 4.071 1.00 0.00 H new ATOM 1153 N LYS A 78 9.029 10.330 -0.724 1.00 0.00 N ATOM 1154 CA LYS A 78 10.178 9.895 -1.483 1.00 0.00 C ATOM 1155 C LYS A 78 10.965 8.962 -0.610 1.00 0.00 C ATOM 1156 O LYS A 78 10.811 9.010 0.610 1.00 0.00 O ATOM 1157 CB LYS A 78 11.036 11.054 -1.972 1.00 0.00 C ATOM 1158 CG LYS A 78 10.514 11.596 -3.277 1.00 0.00 C ATOM 1159 CD LYS A 78 9.733 12.867 -3.086 1.00 0.00 C ATOM 1160 CE LYS A 78 8.600 12.900 -4.075 1.00 0.00 C ATOM 1161 NZ LYS A 78 7.755 14.114 -3.953 1.00 0.00 N1+ ATOM 0 H LYS A 78 9.093 11.272 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 78 9.842 9.388 -2.387 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.046 11.846 -1.223 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.066 10.721 -2.098 1.00 0.00 H new ATOM 0 HG2 LYS A 78 11.349 11.781 -3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.879 10.848 -3.752 1.00 0.00 H new ATOM 0 HD2 LYS A 78 9.346 12.922 -2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.381 13.732 -3.227 1.00 0.00 H new ATOM 0 HE2 LYS A 78 9.006 12.847 -5.085 1.00 0.00 H new ATOM 0 HE3 LYS A 78 7.978 12.016 -3.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.993 14.079 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 7.342 14.155 -3.000 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 8.338 14.960 -4.114 1.00 0.00 H new ATOM 1175 N ALA A 79 11.794 8.121 -1.211 1.00 0.00 N ATOM 1176 CA ALA A 79 12.475 7.068 -0.472 1.00 0.00 C ATOM 1177 C ALA A 79 13.095 7.605 0.808 1.00 0.00 C ATOM 1178 O ALA A 79 12.988 6.982 1.852 1.00 0.00 O ATOM 1179 CB ALA A 79 13.535 6.405 -1.333 1.00 0.00 C ATOM 0 H ALA A 79 12.011 8.147 -2.207 1.00 0.00 H new ATOM 0 HA ALA A 79 11.730 6.321 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 79 14.031 5.621 -0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.067 5.969 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 79 14.270 7.148 -1.643 1.00 0.00 H new ATOM 1185 N THR A 80 13.620 8.818 0.736 1.00 0.00 N ATOM 1186 CA THR A 80 14.452 9.363 1.808 1.00 0.00 C ATOM 1187 C THR A 80 13.609 9.779 3.013 1.00 0.00 C ATOM 1188 O THR A 80 14.108 9.808 4.138 1.00 0.00 O ATOM 1189 CB THR A 80 15.291 10.559 1.299 1.00 0.00 C ATOM 1190 OG1 THR A 80 16.090 11.107 2.356 1.00 0.00 O ATOM 1191 CG2 THR A 80 14.401 11.645 0.711 1.00 0.00 C ATOM 0 H THR A 80 13.487 9.449 -0.054 1.00 0.00 H new ATOM 0 HA THR A 80 15.131 8.573 2.129 1.00 0.00 H new ATOM 0 HB THR A 80 15.949 10.187 0.514 1.00 0.00 H new ATOM 0 HG1 THR A 80 16.614 11.861 2.013 1.00 0.00 H new ATOM 0 HG21 THR A 80 15.019 12.472 0.362 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.834 11.237 -0.126 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.712 12.004 1.475 1.00 0.00 H new ATOM 1199 N ASP A 81 12.331 10.076 2.789 1.00 0.00 N ATOM 1200 CA ASP A 81 11.434 10.386 3.894 1.00 0.00 C ATOM 1201 C ASP A 81 11.237 9.128 4.716 1.00 0.00 C ATOM 1202 O ASP A 81 11.325 9.140 5.945 1.00 0.00 O ATOM 1203 CB ASP A 81 10.083 10.895 3.378 1.00 0.00 C ATOM 1204 CG ASP A 81 9.161 11.341 4.499 1.00 0.00 C ATOM 1205 OD1 ASP A 81 9.315 12.487 4.976 1.00 0.00 O ATOM 1206 OD2 ASP A 81 8.275 10.562 4.907 1.00 0.00 O1- ATOM 0 H ASP A 81 11.900 10.108 1.865 1.00 0.00 H new ATOM 0 HA ASP A 81 11.872 11.174 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 81 10.249 11.729 2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 81 9.597 10.106 2.804 1.00 0.00 H new ATOM 1211 N LEU A 82 10.998 8.039 4.001 1.00 0.00 N ATOM 1212 CA LEU A 82 10.842 6.729 4.592 1.00 0.00 C ATOM 1213 C LEU A 82 12.056 6.314 5.419 1.00 0.00 C ATOM 1214 O LEU A 82 11.903 5.920 6.561 1.00 0.00 O ATOM 1215 CB LEU A 82 10.568 5.711 3.484 1.00 0.00 C ATOM 1216 CG LEU A 82 9.239 5.907 2.746 1.00 0.00 C ATOM 1217 CD1 LEU A 82 8.300 6.813 3.528 1.00 0.00 C ATOM 1218 CD2 LEU A 82 9.472 6.441 1.348 1.00 0.00 C ATOM 0 H LEU A 82 10.907 8.045 2.985 1.00 0.00 H new ATOM 0 HA LEU A 82 9.998 6.765 5.281 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.380 5.757 2.759 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.583 4.711 3.917 1.00 0.00 H new ATOM 0 HG LEU A 82 8.759 4.932 2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.367 6.932 2.978 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.093 6.369 4.502 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.767 7.788 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 82 8.514 6.572 0.844 1.00 0.00 H new ATOM 0 HD22 LEU A 82 9.986 7.401 1.406 1.00 0.00 H new ATOM 0 HD23 LEU A 82 10.084 5.735 0.786 1.00 0.00 H new ATOM 1230 N LYS A 83 13.248 6.384 4.841 1.00 0.00 N ATOM 1231 CA LYS A 83 14.459 5.996 5.501 1.00 0.00 C ATOM 1232 C LYS A 83 14.844 6.934 6.634 1.00 0.00 C ATOM 1233 O LYS A 83 15.413 6.489 7.631 1.00 0.00 O ATOM 1234 CB LYS A 83 15.577 5.917 4.488 1.00 0.00 C ATOM 1235 CG LYS A 83 15.153 5.900 3.070 1.00 0.00 C ATOM 1236 CD LYS A 83 16.298 5.519 2.126 1.00 0.00 C ATOM 1237 CE LYS A 83 17.479 6.483 2.202 1.00 0.00 C ATOM 1238 NZ LYS A 83 18.438 6.128 3.286 1.00 0.00 N1+ ATOM 0 H LYS A 83 13.388 6.718 3.888 1.00 0.00 H new ATOM 0 HA LYS A 83 14.286 5.019 5.952 1.00 0.00 H new ATOM 0 HB2 LYS A 83 16.242 6.767 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 83 16.160 5.017 4.686 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.333 5.193 2.947 1.00 0.00 H new ATOM 0 HG3 LYS A 83 14.770 6.883 2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 83 16.641 4.513 2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 83 15.924 5.491 1.103 1.00 0.00 H new ATOM 0 HE2 LYS A 83 18.002 6.487 1.246 1.00 0.00 H new ATOM 0 HE3 LYS A 83 17.108 7.495 2.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 18.495 6.910 3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 18.111 5.268 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 19.378 5.958 2.876 1.00 0.00 H new ATOM 1252 N ARG A 84 14.566 8.227 6.480 1.00 0.00 N ATOM 1253 CA ARG A 84 14.744 9.167 7.570 1.00 0.00 C ATOM 1254 C ARG A 84 14.039 8.643 8.797 1.00 0.00 C ATOM 1255 O ARG A 84 14.553 8.686 9.916 1.00 0.00 O ATOM 1256 CB ARG A 84 14.162 10.504 7.199 1.00 0.00 C ATOM 1257 CG ARG A 84 15.076 11.632 7.589 1.00 0.00 C ATOM 1258 CD ARG A 84 14.888 12.815 6.684 1.00 0.00 C ATOM 1259 NE ARG A 84 15.707 13.958 7.086 1.00 0.00 N ATOM 1260 CZ ARG A 84 15.398 15.228 6.817 1.00 0.00 C ATOM 1261 NH1 ARG A 84 14.296 15.519 6.139 1.00 0.00 N1+ ATOM 1262 NH2 ARG A 84 16.193 16.207 7.228 1.00 0.00 N ATOM 0 H ARG A 84 14.219 8.640 5.614 1.00 0.00 H new ATOM 0 HA ARG A 84 15.809 9.283 7.772 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.980 10.537 6.125 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.197 10.630 7.690 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.879 11.924 8.621 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.112 11.297 7.545 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.141 12.532 5.662 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.838 13.106 6.684 1.00 0.00 H new ATOM 0 HE ARG A 84 16.566 13.773 7.603 1.00 0.00 H new ATOM 0 HH11 ARG A 84 13.680 14.771 5.821 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.064 16.491 5.936 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.042 15.990 7.750 1.00 0.00 H new ATOM 0 HH22 ARG A 84 15.956 17.177 7.022 1.00 0.00 H new ATOM 1276 N MET A 85 12.845 8.145 8.552 1.00 0.00 N ATOM 1277 CA MET A 85 12.063 7.489 9.576 1.00 0.00 C ATOM 1278 C MET A 85 12.592 6.090 9.854 1.00 0.00 C ATOM 1279 O MET A 85 12.698 5.681 11.010 1.00 0.00 O ATOM 1280 CB MET A 85 10.598 7.392 9.161 1.00 0.00 C ATOM 1281 CG MET A 85 9.935 8.733 8.954 1.00 0.00 C ATOM 1282 SD MET A 85 8.202 8.593 8.468 1.00 0.00 S ATOM 1283 CE MET A 85 7.501 7.780 9.903 1.00 0.00 C ATOM 0 H MET A 85 12.391 8.184 7.639 1.00 0.00 H new ATOM 0 HA MET A 85 12.144 8.090 10.482 1.00 0.00 H new ATOM 0 HB2 MET A 85 10.528 6.816 8.238 1.00 0.00 H new ATOM 0 HB3 MET A 85 10.049 6.839 9.924 1.00 0.00 H new ATOM 0 HG2 MET A 85 10.003 9.312 9.875 1.00 0.00 H new ATOM 0 HG3 MET A 85 10.478 9.287 8.188 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.460 8.083 10.021 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.552 6.699 9.770 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.064 8.063 10.793 1.00 0.00 H new ATOM 1293 N GLY A 86 12.930 5.351 8.794 1.00 0.00 N ATOM 1294 CA GLY A 86 13.289 3.959 8.973 1.00 0.00 C ATOM 1295 C GLY A 86 12.058 3.099 9.164 1.00 0.00 C ATOM 1296 O GLY A 86 12.137 1.962 9.622 1.00 0.00 O ATOM 0 H GLY A 86 12.960 5.689 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 86 13.849 3.610 8.105 1.00 0.00 H new ATOM 0 HA3 GLY A 86 13.945 3.858 9.838 1.00 0.00 H new ATOM 1300 N ILE A 87 10.916 3.668 8.823 1.00 0.00 N ATOM 1301 CA ILE A 87 9.639 3.006 8.922 1.00 0.00 C ATOM 1302 C ILE A 87 8.624 3.778 8.084 1.00 0.00 C ATOM 1303 O ILE A 87 8.813 4.959 7.793 1.00 0.00 O ATOM 1304 CB ILE A 87 9.175 2.906 10.392 1.00 0.00 C ATOM 1305 CG1 ILE A 87 8.331 1.651 10.621 1.00 0.00 C ATOM 1306 CG2 ILE A 87 8.370 4.130 10.752 1.00 0.00 C ATOM 1307 CD1 ILE A 87 8.212 1.251 12.071 1.00 0.00 C ATOM 0 H ILE A 87 10.855 4.621 8.464 1.00 0.00 H new ATOM 0 HA ILE A 87 9.729 1.987 8.544 1.00 0.00 H new ATOM 0 HB ILE A 87 10.059 2.843 11.026 1.00 0.00 H new ATOM 0 HG12 ILE A 87 7.332 1.818 10.217 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.767 0.824 10.061 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.043 4.058 11.789 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.986 5.020 10.626 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.498 4.197 10.101 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.599 0.353 12.152 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.204 1.051 12.476 1.00 0.00 H new ATOM 0 HD13 ILE A 87 7.747 2.060 12.635 1.00 0.00 H new ATOM 1319 N VAL A 88 7.579 3.097 7.685 1.00 0.00 N ATOM 1320 CA VAL A 88 6.517 3.684 6.891 1.00 0.00 C ATOM 1321 C VAL A 88 5.166 3.358 7.493 1.00 0.00 C ATOM 1322 O VAL A 88 4.973 2.271 8.015 1.00 0.00 O ATOM 1323 CB VAL A 88 6.575 3.146 5.455 1.00 0.00 C ATOM 1324 CG1 VAL A 88 7.758 3.744 4.744 1.00 0.00 C ATOM 1325 CG2 VAL A 88 6.683 1.629 5.455 1.00 0.00 C ATOM 0 H VAL A 88 7.436 2.111 7.902 1.00 0.00 H new ATOM 0 HA VAL A 88 6.653 4.765 6.881 1.00 0.00 H new ATOM 0 HB VAL A 88 5.658 3.425 4.937 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.800 3.363 3.724 1.00 0.00 H new ATOM 0 HG12 VAL A 88 7.659 4.829 4.722 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.673 3.474 5.270 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.723 1.267 4.428 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.589 1.329 5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.814 1.202 5.957 1.00 0.00 H new ATOM 1335 N THR A 89 4.236 4.291 7.439 1.00 0.00 N ATOM 1336 CA THR A 89 2.912 4.035 7.971 1.00 0.00 C ATOM 1337 C THR A 89 1.885 3.944 6.852 1.00 0.00 C ATOM 1338 O THR A 89 1.859 4.768 5.944 1.00 0.00 O ATOM 1339 CB THR A 89 2.482 5.109 8.977 1.00 0.00 C ATOM 1340 OG1 THR A 89 3.596 5.468 9.804 1.00 0.00 O ATOM 1341 CG2 THR A 89 1.352 4.576 9.844 1.00 0.00 C ATOM 0 H THR A 89 4.369 5.220 7.039 1.00 0.00 H new ATOM 0 HA THR A 89 2.961 3.079 8.493 1.00 0.00 H new ATOM 0 HB THR A 89 2.136 5.990 8.437 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.319 6.156 10.445 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.049 5.342 10.558 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.503 4.311 9.213 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.693 3.692 10.383 1.00 0.00 H new ATOM 1349 N SER A 90 1.054 2.919 6.935 1.00 0.00 N ATOM 1350 CA SER A 90 0.024 2.653 5.954 1.00 0.00 C ATOM 1351 C SER A 90 -1.171 3.586 6.143 1.00 0.00 C ATOM 1352 O SER A 90 -1.279 4.236 7.179 1.00 0.00 O ATOM 1353 CB SER A 90 -0.411 1.191 6.078 1.00 0.00 C ATOM 1354 OG SER A 90 0.642 0.317 5.702 1.00 0.00 O ATOM 0 H SER A 90 1.079 2.241 7.697 1.00 0.00 H new ATOM 0 HA SER A 90 0.425 2.835 4.957 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.713 0.983 7.104 1.00 0.00 H new ATOM 0 HB3 SER A 90 -1.281 1.011 5.447 1.00 0.00 H new ATOM 0 HG SER A 90 1.323 0.303 6.406 1.00 0.00 H new ATOM 1360 N LEU A 91 -2.058 3.647 5.152 1.00 0.00 N ATOM 1361 CA LEU A 91 -3.238 4.511 5.216 1.00 0.00 C ATOM 1362 C LEU A 91 -4.020 4.281 6.510 1.00 0.00 C ATOM 1363 O LEU A 91 -4.535 5.215 7.122 1.00 0.00 O ATOM 1364 CB LEU A 91 -4.142 4.233 4.015 1.00 0.00 C ATOM 1365 CG LEU A 91 -4.999 5.407 3.577 1.00 0.00 C ATOM 1366 CD1 LEU A 91 -4.263 6.706 3.763 1.00 0.00 C ATOM 1367 CD2 LEU A 91 -5.400 5.249 2.134 1.00 0.00 C ATOM 0 H LEU A 91 -1.982 3.106 4.291 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.904 5.549 5.197 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.521 3.922 3.175 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -4.795 3.395 4.256 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.895 5.424 4.198 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -4.897 7.533 3.442 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -4.007 6.832 4.815 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.351 6.696 3.166 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -6.014 6.097 1.832 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -4.507 5.208 1.511 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -5.970 4.328 2.013 1.00 0.00 H new ATOM 1379 N GLU A 92 -4.071 3.020 6.921 1.00 0.00 N ATOM 1380 CA GLU A 92 -4.803 2.615 8.120 1.00 0.00 C ATOM 1381 C GLU A 92 -4.024 2.984 9.373 1.00 0.00 C ATOM 1382 O GLU A 92 -4.593 3.182 10.450 1.00 0.00 O ATOM 1383 CB GLU A 92 -5.059 1.104 8.087 1.00 0.00 C ATOM 1384 CG GLU A 92 -3.788 0.259 8.040 1.00 0.00 C ATOM 1385 CD GLU A 92 -3.515 -0.469 9.341 1.00 0.00 C ATOM 1386 OE1 GLU A 92 -3.351 0.197 10.376 1.00 0.00 O ATOM 1387 OE2 GLU A 92 -3.445 -1.711 9.327 1.00 0.00 O1- ATOM 0 H GLU A 92 -3.609 2.250 6.437 1.00 0.00 H new ATOM 0 HA GLU A 92 -5.758 3.141 8.140 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.636 0.824 8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -5.672 0.869 7.217 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.871 -0.469 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.939 0.901 7.804 1.00 0.00 H new ATOM 1394 N GLY A 93 -2.719 3.091 9.209 1.00 0.00 N ATOM 1395 CA GLY A 93 -1.845 3.360 10.327 1.00 0.00 C ATOM 1396 C GLY A 93 -0.889 2.216 10.608 1.00 0.00 C ATOM 1397 O GLY A 93 -0.344 2.116 11.705 1.00 0.00 O ATOM 0 H GLY A 93 -2.244 2.995 8.311 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.273 4.266 10.127 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.446 3.553 11.215 1.00 0.00 H new ATOM 1401 N SER A 94 -0.671 1.349 9.620 1.00 0.00 N ATOM 1402 CA SER A 94 0.215 0.212 9.812 1.00 0.00 C ATOM 1403 C SER A 94 1.654 0.593 9.480 1.00 0.00 C ATOM 1404 O SER A 94 1.958 0.962 8.349 1.00 0.00 O ATOM 1405 CB SER A 94 -0.229 -0.964 8.933 1.00 0.00 C ATOM 1406 OG SER A 94 0.387 -2.178 9.336 1.00 0.00 O ATOM 0 H SER A 94 -1.091 1.414 8.693 1.00 0.00 H new ATOM 0 HA SER A 94 0.164 -0.089 10.859 1.00 0.00 H new ATOM 0 HB2 SER A 94 -1.313 -1.070 8.986 1.00 0.00 H new ATOM 0 HB3 SER A 94 0.021 -0.756 7.893 1.00 0.00 H new ATOM 0 HG SER A 94 0.082 -2.908 8.757 1.00 0.00 H new ATOM 1412 N THR A 95 2.534 0.485 10.457 1.00 0.00 N ATOM 1413 CA THR A 95 3.941 0.779 10.251 1.00 0.00 C ATOM 1414 C THR A 95 4.725 -0.428 9.737 1.00 0.00 C ATOM 1415 O THR A 95 4.522 -1.561 10.176 1.00 0.00 O ATOM 1416 CB THR A 95 4.588 1.298 11.540 1.00 0.00 C ATOM 1417 OG1 THR A 95 3.765 0.963 12.665 1.00 0.00 O ATOM 1418 CG2 THR A 95 4.792 2.801 11.467 1.00 0.00 C ATOM 0 H THR A 95 2.299 0.194 11.406 1.00 0.00 H new ATOM 0 HA THR A 95 3.981 1.553 9.485 1.00 0.00 H new ATOM 0 HB THR A 95 5.563 0.826 11.658 1.00 0.00 H new ATOM 0 HG1 THR A 95 3.718 -0.012 12.758 1.00 0.00 H new ATOM 0 HG21 THR A 95 5.252 3.151 12.391 1.00 0.00 H new ATOM 0 HG22 THR A 95 5.442 3.040 10.625 1.00 0.00 H new ATOM 0 HG23 THR A 95 3.829 3.293 11.333 1.00 0.00 H new ATOM 1426 N ILE A 96 5.618 -0.152 8.799 1.00 0.00 N ATOM 1427 CA ILE A 96 6.504 -1.148 8.214 1.00 0.00 C ATOM 1428 C ILE A 96 7.934 -0.600 8.210 1.00 0.00 C ATOM 1429 O ILE A 96 8.160 0.515 7.757 1.00 0.00 O ATOM 1430 CB ILE A 96 6.068 -1.530 6.772 1.00 0.00 C ATOM 1431 CG1 ILE A 96 4.987 -2.619 6.788 1.00 0.00 C ATOM 1432 CG2 ILE A 96 7.251 -1.969 5.930 1.00 0.00 C ATOM 1433 CD1 ILE A 96 3.579 -2.081 6.938 1.00 0.00 C ATOM 0 H ILE A 96 5.750 0.784 8.417 1.00 0.00 H new ATOM 0 HA ILE A 96 6.453 -2.055 8.816 1.00 0.00 H new ATOM 0 HB ILE A 96 5.645 -0.635 6.317 1.00 0.00 H new ATOM 0 HG12 ILE A 96 5.050 -3.194 5.864 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.191 -3.309 7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 96 6.908 -2.228 4.928 1.00 0.00 H new ATOM 0 HG22 ILE A 96 7.974 -1.156 5.867 1.00 0.00 H new ATOM 0 HG23 ILE A 96 7.722 -2.838 6.389 1.00 0.00 H new ATOM 0 HD11 ILE A 96 2.871 -2.910 6.941 1.00 0.00 H new ATOM 0 HD12 ILE A 96 3.498 -1.531 7.876 1.00 0.00 H new ATOM 0 HD13 ILE A 96 3.354 -1.414 6.106 1.00 0.00 H new ATOM 1445 N PRO A 97 8.913 -1.346 8.737 1.00 0.00 N ATOM 1446 CA PRO A 97 10.281 -0.840 8.895 1.00 0.00 C ATOM 1447 C PRO A 97 11.006 -0.642 7.575 1.00 0.00 C ATOM 1448 O PRO A 97 10.989 -1.497 6.685 1.00 0.00 O ATOM 1449 CB PRO A 97 10.992 -1.914 9.726 1.00 0.00 C ATOM 1450 CG PRO A 97 9.925 -2.853 10.183 1.00 0.00 C ATOM 1451 CD PRO A 97 8.788 -2.728 9.212 1.00 0.00 C ATOM 0 HA PRO A 97 10.272 0.145 9.363 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.742 -2.435 9.131 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.511 -1.470 10.575 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.298 -3.877 10.211 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.599 -2.605 11.193 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.873 -3.445 8.396 1.00 0.00 H new ATOM 0 HD3 PRO A 97 7.825 -2.905 9.692 1.00 0.00 H new ATOM 1459 N ILE A 98 11.631 0.513 7.472 1.00 0.00 N ATOM 1460 CA ILE A 98 12.449 0.870 6.342 1.00 0.00 C ATOM 1461 C ILE A 98 13.923 0.725 6.669 1.00 0.00 C ATOM 1462 O ILE A 98 14.377 1.085 7.753 1.00 0.00 O ATOM 1463 CB ILE A 98 12.168 2.319 5.920 1.00 0.00 C ATOM 1464 CG1 ILE A 98 10.735 2.437 5.431 1.00 0.00 C ATOM 1465 CG2 ILE A 98 13.149 2.789 4.858 1.00 0.00 C ATOM 1466 CD1 ILE A 98 10.450 1.630 4.188 1.00 0.00 C ATOM 0 H ILE A 98 11.581 1.239 8.186 1.00 0.00 H new ATOM 0 HA ILE A 98 12.200 0.193 5.524 1.00 0.00 H new ATOM 0 HB ILE A 98 12.302 2.966 6.787 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.062 2.115 6.225 1.00 0.00 H new ATOM 0 HG13 ILE A 98 10.514 3.485 5.232 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.921 3.819 4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 98 14.164 2.735 5.251 1.00 0.00 H new ATOM 0 HG23 ILE A 98 13.066 2.151 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 98 9.408 1.764 3.898 1.00 0.00 H new ATOM 0 HD12 ILE A 98 11.098 1.967 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 98 10.639 0.575 4.388 1.00 0.00 H new ATOM 1478 N HIS A 99 14.647 0.186 5.722 1.00 0.00 N ATOM 1479 CA HIS A 99 16.091 0.099 5.795 1.00 0.00 C ATOM 1480 C HIS A 99 16.664 0.377 4.414 1.00 0.00 C ATOM 1481 O HIS A 99 15.909 0.677 3.491 1.00 0.00 O ATOM 1482 CB HIS A 99 16.582 -1.237 6.396 1.00 0.00 C ATOM 1483 CG HIS A 99 15.871 -2.482 5.948 1.00 0.00 C ATOM 1484 ND1 HIS A 99 16.523 -3.531 5.339 1.00 0.00 N ATOM 1485 CD2 HIS A 99 14.581 -2.881 6.095 1.00 0.00 C ATOM 1486 CE1 HIS A 99 15.675 -4.520 5.135 1.00 0.00 C ATOM 1487 NE2 HIS A 99 14.489 -4.152 5.584 1.00 0.00 N ATOM 0 H HIS A 99 14.252 -0.210 4.869 1.00 0.00 H new ATOM 0 HA HIS A 99 16.459 0.856 6.488 1.00 0.00 H new ATOM 0 HB2 HIS A 99 17.641 -1.347 6.161 1.00 0.00 H new ATOM 0 HB3 HIS A 99 16.502 -1.171 7.481 1.00 0.00 H new ATOM 0 HD1 HIS A 99 17.511 -3.541 5.085 1.00 0.00 H new ATOM 0 HD2 HIS A 99 13.778 -2.306 6.532 1.00 0.00 H new ATOM 0 HE1 HIS A 99 15.911 -5.470 4.678 1.00 0.00 H new ATOM 1496 N GLY A 100 17.974 0.344 4.275 1.00 0.00 N ATOM 1497 CA GLY A 100 18.587 0.760 3.036 1.00 0.00 C ATOM 1498 C GLY A 100 20.091 0.792 3.113 1.00 0.00 C ATOM 1499 O GLY A 100 20.686 1.794 3.513 1.00 0.00 O ATOM 0 H GLY A 100 18.626 0.037 4.997 1.00 0.00 H new ATOM 0 HA2 GLY A 100 18.283 0.081 2.239 1.00 0.00 H new ATOM 0 HA3 GLY A 100 18.220 1.751 2.769 1.00 0.00 H new ATOM 1503 N ASP A 101 20.699 -0.311 2.717 1.00 0.00 N ATOM 1504 CA ASP A 101 22.150 -0.418 2.671 1.00 0.00 C ATOM 1505 C ASP A 101 22.675 0.381 1.490 1.00 0.00 C ATOM 1506 O ASP A 101 23.643 1.132 1.601 1.00 0.00 O ATOM 1507 CB ASP A 101 22.569 -1.887 2.551 1.00 0.00 C ATOM 1508 CG ASP A 101 24.039 -2.054 2.218 1.00 0.00 C ATOM 1509 OD1 ASP A 101 24.879 -1.984 3.139 1.00 0.00 O ATOM 1510 OD2 ASP A 101 24.358 -2.271 1.030 1.00 0.00 O1- ATOM 0 H ASP A 101 20.207 -1.154 2.420 1.00 0.00 H new ATOM 0 HA ASP A 101 22.572 -0.016 3.592 1.00 0.00 H new ATOM 0 HB2 ASP A 101 22.353 -2.399 3.489 1.00 0.00 H new ATOM 0 HB3 ASP A 101 21.969 -2.369 1.779 1.00 0.00 H new ATOM 1515 N ASN A 102 21.999 0.219 0.367 1.00 0.00 N ATOM 1516 CA ASN A 102 22.299 0.967 -0.843 1.00 0.00 C ATOM 1517 C ASN A 102 21.001 1.355 -1.553 1.00 0.00 C ATOM 1518 O ASN A 102 20.788 2.530 -1.851 1.00 0.00 O ATOM 1519 CB ASN A 102 23.229 0.176 -1.770 1.00 0.00 C ATOM 1520 CG ASN A 102 24.697 0.453 -1.498 1.00 0.00 C ATOM 1521 OD1 ASN A 102 25.275 1.381 -2.065 1.00 0.00 O ATOM 1522 ND2 ASN A 102 25.311 -0.337 -0.631 1.00 0.00 N ATOM 0 H ASN A 102 21.224 -0.437 0.267 1.00 0.00 H new ATOM 0 HA ASN A 102 22.826 1.880 -0.565 1.00 0.00 H new ATOM 0 HB2 ASN A 102 23.036 -0.890 -1.649 1.00 0.00 H new ATOM 0 HB3 ASN A 102 23.002 0.426 -2.806 1.00 0.00 H new ATOM 0 HD21 ASN A 102 26.296 -0.187 -0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 102 24.799 -1.096 -0.181 1.00 0.00 H new ATOM 1529 N PRO A 103 20.101 0.385 -1.838 1.00 0.00 N ATOM 1530 CA PRO A 103 18.750 0.689 -2.287 1.00 0.00 C ATOM 1531 C PRO A 103 17.823 0.860 -1.093 1.00 0.00 C ATOM 1532 O PRO A 103 18.235 0.643 0.047 1.00 0.00 O ATOM 1533 CB PRO A 103 18.385 -0.564 -3.071 1.00 0.00 C ATOM 1534 CG PRO A 103 19.023 -1.656 -2.303 1.00 0.00 C ATOM 1535 CD PRO A 103 20.316 -1.083 -1.785 1.00 0.00 C ATOM 0 HA PRO A 103 18.671 1.609 -2.866 1.00 0.00 H new ATOM 0 HB2 PRO A 103 17.305 -0.697 -3.134 1.00 0.00 H new ATOM 0 HB3 PRO A 103 18.761 -0.521 -4.093 1.00 0.00 H new ATOM 0 HG2 PRO A 103 18.384 -1.985 -1.484 1.00 0.00 H new ATOM 0 HG3 PRO A 103 19.204 -2.526 -2.935 1.00 0.00 H new ATOM 0 HD2 PRO A 103 20.524 -1.420 -0.770 1.00 0.00 H new ATOM 0 HD3 PRO A 103 21.163 -1.386 -2.401 1.00 0.00 H new ATOM 1543 N LEU A 104 16.593 1.273 -1.334 1.00 0.00 N ATOM 1544 CA LEU A 104 15.614 1.315 -0.266 1.00 0.00 C ATOM 1545 C LEU A 104 15.187 -0.104 0.068 1.00 0.00 C ATOM 1546 O LEU A 104 15.238 -0.996 -0.783 1.00 0.00 O ATOM 1547 CB LEU A 104 14.393 2.138 -0.651 1.00 0.00 C ATOM 1548 CG LEU A 104 13.390 2.375 0.487 1.00 0.00 C ATOM 1549 CD1 LEU A 104 13.933 3.357 1.516 1.00 0.00 C ATOM 1550 CD2 LEU A 104 12.075 2.873 -0.064 1.00 0.00 C ATOM 0 H LEU A 104 16.252 1.580 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 104 16.073 1.790 0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 104 14.728 3.104 -1.028 1.00 0.00 H new ATOM 0 HB3 LEU A 104 13.879 1.637 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 104 13.228 1.420 0.988 1.00 0.00 H new ATOM 0 HD11 LEU A 104 13.196 3.500 2.306 1.00 0.00 H new ATOM 0 HD12 LEU A 104 14.854 2.962 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 104 14.138 4.313 1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 104 11.375 3.036 0.756 1.00 0.00 H new ATOM 0 HD22 LEU A 104 12.235 3.811 -0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 104 11.664 2.132 -0.750 1.00 0.00 H new ATOM 1562 N GLU A 105 14.755 -0.311 1.291 1.00 0.00 N ATOM 1563 CA GLU A 105 14.393 -1.638 1.754 1.00 0.00 C ATOM 1564 C GLU A 105 13.163 -1.537 2.631 1.00 0.00 C ATOM 1565 O GLU A 105 13.224 -1.061 3.764 1.00 0.00 O ATOM 1566 CB GLU A 105 15.539 -2.297 2.532 1.00 0.00 C ATOM 1567 CG GLU A 105 16.892 -2.224 1.842 1.00 0.00 C ATOM 1568 CD GLU A 105 17.971 -2.997 2.569 1.00 0.00 C ATOM 1569 OE1 GLU A 105 18.477 -2.502 3.595 1.00 0.00 O ATOM 1570 OE2 GLU A 105 18.312 -4.111 2.124 1.00 0.00 O1- ATOM 0 H GLU A 105 14.644 0.425 1.989 1.00 0.00 H new ATOM 0 HA GLU A 105 14.185 -2.262 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 105 15.618 -1.822 3.510 1.00 0.00 H new ATOM 0 HB3 GLU A 105 15.289 -3.344 2.705 1.00 0.00 H new ATOM 0 HG2 GLU A 105 16.797 -2.611 0.827 1.00 0.00 H new ATOM 0 HG3 GLU A 105 17.195 -1.180 1.758 1.00 0.00 H new ATOM 1577 N VAL A 106 12.052 -1.975 2.094 1.00 0.00 N ATOM 1578 CA VAL A 106 10.778 -1.880 2.773 1.00 0.00 C ATOM 1579 C VAL A 106 10.360 -3.256 3.284 1.00 0.00 C ATOM 1580 O VAL A 106 10.352 -4.218 2.523 1.00 0.00 O ATOM 1581 CB VAL A 106 9.719 -1.252 1.822 1.00 0.00 C ATOM 1582 CG1 VAL A 106 10.102 -1.485 0.368 1.00 0.00 C ATOM 1583 CG2 VAL A 106 8.320 -1.789 2.074 1.00 0.00 C ATOM 0 H VAL A 106 12.002 -2.409 1.172 1.00 0.00 H new ATOM 0 HA VAL A 106 10.864 -1.225 3.640 1.00 0.00 H new ATOM 0 HB VAL A 106 9.705 -0.182 2.032 1.00 0.00 H new ATOM 0 HG11 VAL A 106 9.350 -1.039 -0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 106 11.071 -1.027 0.169 1.00 0.00 H new ATOM 0 HG13 VAL A 106 10.160 -2.556 0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 106 7.620 -1.318 1.384 1.00 0.00 H new ATOM 0 HG22 VAL A 106 8.311 -2.868 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 106 8.024 -1.566 3.099 1.00 0.00 H new ATOM 1593 N LYS A 107 10.055 -3.337 4.590 1.00 0.00 N ATOM 1594 CA LYS A 107 9.701 -4.596 5.268 1.00 0.00 C ATOM 1595 C LYS A 107 10.667 -5.732 4.913 1.00 0.00 C ATOM 1596 O LYS A 107 11.852 -5.671 5.250 1.00 0.00 O ATOM 1597 CB LYS A 107 8.224 -5.009 5.030 1.00 0.00 C ATOM 1598 CG LYS A 107 7.743 -4.911 3.584 1.00 0.00 C ATOM 1599 CD LYS A 107 6.264 -5.230 3.442 1.00 0.00 C ATOM 1600 CE LYS A 107 5.915 -6.563 4.078 1.00 0.00 C ATOM 1601 NZ LYS A 107 4.669 -7.135 3.511 1.00 0.00 N1+ ATOM 0 H LYS A 107 10.047 -2.526 5.209 1.00 0.00 H new ATOM 0 HA LYS A 107 9.804 -4.403 6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 107 8.092 -6.036 5.370 1.00 0.00 H new ATOM 0 HB3 LYS A 107 7.584 -4.382 5.651 1.00 0.00 H new ATOM 0 HG2 LYS A 107 7.933 -3.905 3.208 1.00 0.00 H new ATOM 0 HG3 LYS A 107 8.321 -5.597 2.965 1.00 0.00 H new ATOM 0 HD2 LYS A 107 5.675 -4.439 3.907 1.00 0.00 H new ATOM 0 HD3 LYS A 107 5.995 -5.249 2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 107 6.737 -7.263 3.929 1.00 0.00 H new ATOM 0 HE3 LYS A 107 5.798 -6.433 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 4.106 -7.565 4.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 4.116 -6.381 3.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 4.910 -7.861 2.806 1.00 0.00 H new ATOM 1615 N ASN A 108 10.164 -6.750 4.233 1.00 0.00 N ATOM 1616 CA ASN A 108 10.977 -7.890 3.831 1.00 0.00 C ATOM 1617 C ASN A 108 11.338 -7.812 2.353 1.00 0.00 C ATOM 1618 O ASN A 108 11.653 -8.817 1.721 1.00 0.00 O ATOM 1619 CB ASN A 108 10.242 -9.206 4.134 1.00 0.00 C ATOM 1620 CG ASN A 108 8.791 -9.248 3.654 1.00 0.00 C ATOM 1621 OD1 ASN A 108 7.952 -9.903 4.271 1.00 0.00 O ATOM 1622 ND2 ASN A 108 8.477 -8.567 2.561 1.00 0.00 N ATOM 0 H ASN A 108 9.187 -6.811 3.945 1.00 0.00 H new ATOM 0 HA ASN A 108 11.902 -7.864 4.407 1.00 0.00 H new ATOM 0 HB2 ASN A 108 10.788 -10.027 3.671 1.00 0.00 H new ATOM 0 HB3 ASN A 108 10.260 -9.378 5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 108 7.519 -8.577 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.193 -8.033 2.070 1.00 0.00 H new ATOM 1629 N ALA A 109 11.289 -6.611 1.807 1.00 0.00 N ATOM 1630 CA ALA A 109 11.511 -6.408 0.391 1.00 0.00 C ATOM 1631 C ALA A 109 12.635 -5.415 0.128 1.00 0.00 C ATOM 1632 O ALA A 109 13.067 -4.691 1.026 1.00 0.00 O ATOM 1633 CB ALA A 109 10.229 -5.934 -0.259 1.00 0.00 C ATOM 0 H ALA A 109 11.096 -5.756 2.329 1.00 0.00 H new ATOM 0 HA ALA A 109 11.814 -7.361 -0.043 1.00 0.00 H new ATOM 0 HB1 ALA A 109 10.397 -5.781 -1.325 1.00 0.00 H new ATOM 0 HB2 ALA A 109 9.451 -6.684 -0.118 1.00 0.00 H new ATOM 0 HB3 ALA A 109 9.915 -4.995 0.197 1.00 0.00 H new ATOM 1639 N THR A 110 13.089 -5.380 -1.114 1.00 0.00 N ATOM 1640 CA THR A 110 14.167 -4.525 -1.523 1.00 0.00 C ATOM 1641 C THR A 110 13.725 -3.748 -2.744 1.00 0.00 C ATOM 1642 O THR A 110 13.080 -4.302 -3.635 1.00 0.00 O ATOM 1643 CB THR A 110 15.430 -5.335 -1.868 1.00 0.00 C ATOM 1644 OG1 THR A 110 15.692 -6.295 -0.833 1.00 0.00 O ATOM 1645 CG2 THR A 110 16.634 -4.418 -2.025 1.00 0.00 C ATOM 0 H THR A 110 12.709 -5.954 -1.867 1.00 0.00 H new ATOM 0 HA THR A 110 14.413 -3.854 -0.700 1.00 0.00 H new ATOM 0 HB THR A 110 15.258 -5.851 -2.812 1.00 0.00 H new ATOM 0 HG1 THR A 110 16.496 -6.808 -1.059 1.00 0.00 H new ATOM 0 HG21 THR A 110 17.515 -5.012 -2.269 1.00 0.00 H new ATOM 0 HG22 THR A 110 16.445 -3.704 -2.826 1.00 0.00 H new ATOM 0 HG23 THR A 110 16.806 -3.880 -1.093 1.00 0.00 H new ATOM 1653 N VAL A 111 14.043 -2.478 -2.774 1.00 0.00 N ATOM 1654 CA VAL A 111 13.623 -1.620 -3.861 1.00 0.00 C ATOM 1655 C VAL A 111 14.529 -1.764 -5.083 1.00 0.00 C ATOM 1656 O VAL A 111 15.757 -1.714 -4.985 1.00 0.00 O ATOM 1657 CB VAL A 111 13.555 -0.151 -3.404 1.00 0.00 C ATOM 1658 CG1 VAL A 111 13.768 0.803 -4.566 1.00 0.00 C ATOM 1659 CG2 VAL A 111 12.217 0.122 -2.736 1.00 0.00 C ATOM 0 H VAL A 111 14.595 -2.010 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 111 12.623 -1.938 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 111 14.357 0.017 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 111 13.714 1.831 -4.208 1.00 0.00 H new ATOM 0 HG12 VAL A 111 14.748 0.624 -5.008 1.00 0.00 H new ATOM 0 HG13 VAL A 111 12.995 0.639 -5.317 1.00 0.00 H new ATOM 0 HG21 VAL A 111 12.176 1.163 -2.415 1.00 0.00 H new ATOM 0 HG22 VAL A 111 11.411 -0.072 -3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 111 12.103 -0.529 -1.869 1.00 0.00 H new ATOM 1669 N LEU A 112 13.894 -1.968 -6.227 1.00 0.00 N ATOM 1670 CA LEU A 112 14.575 -2.016 -7.506 1.00 0.00 C ATOM 1671 C LEU A 112 14.594 -0.628 -8.119 1.00 0.00 C ATOM 1672 O LEU A 112 15.576 -0.212 -8.736 1.00 0.00 O ATOM 1673 CB LEU A 112 13.868 -2.975 -8.470 1.00 0.00 C ATOM 1674 CG LEU A 112 13.977 -4.458 -8.136 1.00 0.00 C ATOM 1675 CD1 LEU A 112 13.064 -4.778 -6.978 1.00 0.00 C ATOM 1676 CD2 LEU A 112 13.626 -5.308 -9.347 1.00 0.00 C ATOM 0 H LEU A 112 12.885 -2.105 -6.291 1.00 0.00 H new ATOM 0 HA LEU A 112 15.591 -2.372 -7.339 1.00 0.00 H new ATOM 0 HB2 LEU A 112 12.812 -2.708 -8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 112 14.272 -2.817 -9.470 1.00 0.00 H new ATOM 0 HG LEU A 112 15.005 -4.687 -7.855 1.00 0.00 H new ATOM 0 HD11 LEU A 112 13.140 -5.838 -6.737 1.00 0.00 H new ATOM 0 HD12 LEU A 112 13.356 -4.187 -6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 112 12.035 -4.540 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU A 112 13.710 -6.363 -9.087 1.00 0.00 H new ATOM 0 HD22 LEU A 112 12.605 -5.091 -9.660 1.00 0.00 H new ATOM 0 HD23 LEU A 112 14.312 -5.079 -10.163 1.00 0.00 H new ATOM 1688 N ALA A 113 13.493 0.086 -7.931 1.00 0.00 N ATOM 1689 CA ALA A 113 13.327 1.418 -8.487 1.00 0.00 C ATOM 1690 C ALA A 113 12.264 2.174 -7.707 1.00 0.00 C ATOM 1691 O ALA A 113 11.092 1.812 -7.737 1.00 0.00 O ATOM 1692 CB ALA A 113 12.942 1.329 -9.956 1.00 0.00 C ATOM 0 H ALA A 113 12.693 -0.242 -7.390 1.00 0.00 H new ATOM 0 HA ALA A 113 14.271 1.956 -8.408 1.00 0.00 H new ATOM 0 HB1 ALA A 113 12.820 2.333 -10.362 1.00 0.00 H new ATOM 0 HB2 ALA A 113 13.725 0.808 -10.506 1.00 0.00 H new ATOM 0 HB3 ALA A 113 12.004 0.782 -10.054 1.00 0.00 H new ATOM 1698 N ALA A 114 12.666 3.200 -6.985 1.00 0.00 N ATOM 1699 CA ALA A 114 11.747 3.952 -6.179 1.00 0.00 C ATOM 1700 C ALA A 114 12.079 5.419 -6.244 1.00 0.00 C ATOM 1701 O ALA A 114 12.921 5.831 -7.044 1.00 0.00 O ATOM 1702 CB ALA A 114 11.800 3.463 -4.756 1.00 0.00 C ATOM 0 H ALA A 114 13.631 3.528 -6.945 1.00 0.00 H new ATOM 0 HA ALA A 114 10.737 3.810 -6.563 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.101 4.037 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 114 11.528 2.408 -4.723 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.810 3.590 -4.365 1.00 0.00 H new ATOM 1708 N ASP A 115 11.377 6.197 -5.422 1.00 0.00 N ATOM 1709 CA ASP A 115 11.514 7.645 -5.416 1.00 0.00 C ATOM 1710 C ASP A 115 10.875 8.168 -6.695 1.00 0.00 C ATOM 1711 O ASP A 115 11.186 9.242 -7.203 1.00 0.00 O ATOM 1712 CB ASP A 115 12.997 8.024 -5.303 1.00 0.00 C ATOM 1713 CG ASP A 115 13.224 9.464 -4.906 1.00 0.00 C ATOM 1714 OD1 ASP A 115 13.286 9.733 -3.688 1.00 0.00 O ATOM 1715 OD2 ASP A 115 13.367 10.327 -5.795 1.00 0.00 O1- ATOM 0 H ASP A 115 10.702 5.840 -4.746 1.00 0.00 H new ATOM 0 HA ASP A 115 11.011 8.095 -4.560 1.00 0.00 H new ATOM 0 HB2 ASP A 115 13.475 7.374 -4.570 1.00 0.00 H new ATOM 0 HB3 ASP A 115 13.485 7.838 -6.260 1.00 0.00 H new ATOM 1720 N ILE A 116 9.931 7.370 -7.172 1.00 0.00 N ATOM 1721 CA ILE A 116 9.215 7.623 -8.396 1.00 0.00 C ATOM 1722 C ILE A 116 7.974 8.431 -8.103 1.00 0.00 C ATOM 1723 O ILE A 116 7.042 7.914 -7.507 1.00 0.00 O ATOM 1724 CB ILE A 116 8.746 6.292 -9.008 1.00 0.00 C ATOM 1725 CG1 ILE A 116 9.887 5.271 -9.030 1.00 0.00 C ATOM 1726 CG2 ILE A 116 8.171 6.516 -10.392 1.00 0.00 C ATOM 1727 CD1 ILE A 116 9.532 3.962 -9.706 1.00 0.00 C ATOM 0 H ILE A 116 9.641 6.512 -6.702 1.00 0.00 H new ATOM 0 HA ILE A 116 9.879 8.156 -9.077 1.00 0.00 H new ATOM 0 HB ILE A 116 7.953 5.883 -8.382 1.00 0.00 H new ATOM 0 HG12 ILE A 116 10.744 5.711 -9.540 1.00 0.00 H new ATOM 0 HG13 ILE A 116 10.197 5.066 -8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.845 5.563 -10.809 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.320 7.194 -10.327 1.00 0.00 H new ATOM 0 HG23 ILE A 116 8.934 6.952 -11.037 1.00 0.00 H new ATOM 0 HD11 ILE A 116 10.393 3.294 -9.680 1.00 0.00 H new ATOM 0 HD12 ILE A 116 8.696 3.497 -9.183 1.00 0.00 H new ATOM 0 HD13 ILE A 116 9.252 4.152 -10.742 1.00 0.00 H new ATOM 1739 N GLU A 117 7.941 9.679 -8.502 1.00 0.00 N ATOM 1740 CA GLU A 117 6.753 10.457 -8.351 1.00 0.00 C ATOM 1741 C GLU A 117 5.619 9.943 -9.226 1.00 0.00 C ATOM 1742 O GLU A 117 5.656 10.007 -10.456 1.00 0.00 O ATOM 1743 CB GLU A 117 7.077 11.898 -8.575 1.00 0.00 C ATOM 1744 CG GLU A 117 8.256 12.053 -9.452 1.00 0.00 C ATOM 1745 CD GLU A 117 8.382 13.433 -10.059 1.00 0.00 C ATOM 1746 OE1 GLU A 117 8.823 14.360 -9.345 1.00 0.00 O ATOM 1747 OE2 GLU A 117 8.036 13.605 -11.245 1.00 0.00 O1- ATOM 0 H GLU A 117 8.725 10.170 -8.932 1.00 0.00 H new ATOM 0 HA GLU A 117 6.380 10.356 -7.332 1.00 0.00 H new ATOM 0 HB2 GLU A 117 6.220 12.400 -9.023 1.00 0.00 H new ATOM 0 HB3 GLU A 117 7.267 12.383 -7.618 1.00 0.00 H new ATOM 0 HG2 GLU A 117 9.157 11.834 -8.878 1.00 0.00 H new ATOM 0 HG3 GLU A 117 8.202 11.316 -10.253 1.00 0.00 H new ATOM 1754 N ALA A 118 4.629 9.399 -8.539 1.00 0.00 N ATOM 1755 CA ALA A 118 3.491 8.738 -9.154 1.00 0.00 C ATOM 1756 C ALA A 118 2.467 9.736 -9.661 1.00 0.00 C ATOM 1757 O ALA A 118 2.714 10.942 -9.692 1.00 0.00 O ATOM 1758 CB ALA A 118 2.829 7.802 -8.147 1.00 0.00 C ATOM 0 H ALA A 118 4.593 9.405 -7.520 1.00 0.00 H new ATOM 0 HA ALA A 118 3.862 8.169 -10.007 1.00 0.00 H new ATOM 0 HB1 ALA A 118 1.976 7.309 -8.614 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.548 7.051 -7.821 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.489 8.376 -7.285 1.00 0.00 H new ATOM 1764 N GLU A 119 1.316 9.208 -10.055 1.00 0.00 N ATOM 1765 CA GLU A 119 0.186 10.020 -10.473 1.00 0.00 C ATOM 1766 C GLU A 119 -0.126 11.093 -9.434 1.00 0.00 C ATOM 1767 O GLU A 119 -0.275 12.269 -9.766 1.00 0.00 O ATOM 1768 CB GLU A 119 -1.039 9.126 -10.702 1.00 0.00 C ATOM 1769 CG GLU A 119 -1.252 8.078 -9.614 1.00 0.00 C ATOM 1770 CD GLU A 119 -2.540 7.302 -9.793 1.00 0.00 C ATOM 1771 OE1 GLU A 119 -3.613 7.849 -9.463 1.00 0.00 O ATOM 1772 OE2 GLU A 119 -2.487 6.143 -10.254 1.00 0.00 O1- ATOM 0 H GLU A 119 1.141 8.204 -10.093 1.00 0.00 H new ATOM 0 HA GLU A 119 0.443 10.520 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.928 9.754 -10.767 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.934 8.622 -11.663 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.412 7.384 -9.615 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.260 8.568 -8.640 1.00 0.00 H new ATOM 1779 N ASN A 120 -0.218 10.682 -8.175 1.00 0.00 N ATOM 1780 CA ASN A 120 -0.513 11.610 -7.092 1.00 0.00 C ATOM 1781 C ASN A 120 0.604 11.651 -6.051 1.00 0.00 C ATOM 1782 O ASN A 120 0.684 12.592 -5.269 1.00 0.00 O ATOM 1783 CB ASN A 120 -1.835 11.244 -6.412 1.00 0.00 C ATOM 1784 CG ASN A 120 -3.048 11.512 -7.287 1.00 0.00 C ATOM 1785 OD1 ASN A 120 -3.591 12.616 -7.290 1.00 0.00 O ATOM 1786 ND2 ASN A 120 -3.499 10.500 -8.015 1.00 0.00 N ATOM 0 H ASN A 120 -0.093 9.714 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 120 -0.595 12.601 -7.538 1.00 0.00 H new ATOM 0 HB2 ASN A 120 -1.817 10.189 -6.139 1.00 0.00 H new ATOM 0 HB3 ASN A 120 -1.930 11.811 -5.486 1.00 0.00 H new ATOM 0 HD21 ASN A 120 -4.323 10.623 -8.604 1.00 0.00 H new ATOM 0 HD22 ASN A 120 -3.022 9.599 -7.987 1.00 0.00 H new ATOM 1793 N GLY A 121 1.464 10.637 -6.032 1.00 0.00 N ATOM 1794 CA GLY A 121 2.453 10.547 -4.969 1.00 0.00 C ATOM 1795 C GLY A 121 3.764 9.967 -5.421 1.00 0.00 C ATOM 1796 O GLY A 121 4.485 10.576 -6.198 1.00 0.00 O ATOM 0 H GLY A 121 1.496 9.886 -6.721 1.00 0.00 H new ATOM 0 HA2 GLY A 121 2.626 11.542 -4.559 1.00 0.00 H new ATOM 0 HA3 GLY A 121 2.053 9.935 -4.161 1.00 0.00 H new ATOM 1800 N ILE A 122 4.063 8.785 -4.922 1.00 0.00 N ATOM 1801 CA ILE A 122 5.344 8.134 -5.155 1.00 0.00 C ATOM 1802 C ILE A 122 5.217 6.608 -5.233 1.00 0.00 C ATOM 1803 O ILE A 122 4.441 5.988 -4.505 1.00 0.00 O ATOM 1804 CB ILE A 122 6.341 8.518 -4.043 1.00 0.00 C ATOM 1805 CG1 ILE A 122 6.745 9.975 -4.181 1.00 0.00 C ATOM 1806 CG2 ILE A 122 7.574 7.646 -4.084 1.00 0.00 C ATOM 1807 CD1 ILE A 122 7.766 10.205 -5.283 1.00 0.00 C ATOM 0 H ILE A 122 3.424 8.243 -4.340 1.00 0.00 H new ATOM 0 HA ILE A 122 5.712 8.482 -6.120 1.00 0.00 H new ATOM 0 HB ILE A 122 5.844 8.366 -3.085 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.858 10.575 -4.384 1.00 0.00 H new ATOM 0 HG13 ILE A 122 7.156 10.324 -3.234 1.00 0.00 H new ATOM 0 HG21 ILE A 122 8.256 7.943 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 122 7.287 6.603 -3.946 1.00 0.00 H new ATOM 0 HG23 ILE A 122 8.070 7.762 -5.048 1.00 0.00 H new ATOM 0 HD11 ILE A 122 8.015 11.265 -5.333 1.00 0.00 H new ATOM 0 HD12 ILE A 122 8.667 9.630 -5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.349 9.885 -6.238 1.00 0.00 H new ATOM 1819 N ILE A 123 6.001 6.021 -6.125 1.00 0.00 N ATOM 1820 CA ILE A 123 6.033 4.582 -6.333 1.00 0.00 C ATOM 1821 C ILE A 123 7.381 4.007 -5.906 1.00 0.00 C ATOM 1822 O ILE A 123 8.412 4.680 -5.991 1.00 0.00 O ATOM 1823 CB ILE A 123 5.760 4.242 -7.822 1.00 0.00 C ATOM 1824 CG1 ILE A 123 4.349 4.687 -8.179 1.00 0.00 C ATOM 1825 CG2 ILE A 123 5.935 2.753 -8.098 1.00 0.00 C ATOM 1826 CD1 ILE A 123 4.007 4.544 -9.645 1.00 0.00 C ATOM 0 H ILE A 123 6.639 6.536 -6.731 1.00 0.00 H new ATOM 0 HA ILE A 123 5.251 4.133 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 123 6.484 4.771 -8.441 1.00 0.00 H new ATOM 0 HG12 ILE A 123 3.637 4.106 -7.593 1.00 0.00 H new ATOM 0 HG13 ILE A 123 4.224 5.730 -7.888 1.00 0.00 H new ATOM 0 HG21 ILE A 123 5.736 2.552 -9.151 1.00 0.00 H new ATOM 0 HG22 ILE A 123 6.956 2.456 -7.859 1.00 0.00 H new ATOM 0 HG23 ILE A 123 5.238 2.184 -7.482 1.00 0.00 H new ATOM 0 HD11 ILE A 123 2.985 4.882 -9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 123 4.693 5.148 -10.239 1.00 0.00 H new ATOM 0 HD13 ILE A 123 4.097 3.498 -9.939 1.00 0.00 H new ATOM 1838 N HIS A 124 7.361 2.781 -5.400 1.00 0.00 N ATOM 1839 CA HIS A 124 8.592 2.073 -5.054 1.00 0.00 C ATOM 1840 C HIS A 124 8.496 0.629 -5.513 1.00 0.00 C ATOM 1841 O HIS A 124 7.689 -0.130 -4.988 1.00 0.00 O ATOM 1842 CB HIS A 124 8.872 2.069 -3.544 1.00 0.00 C ATOM 1843 CG HIS A 124 8.688 3.382 -2.834 1.00 0.00 C ATOM 1844 ND1 HIS A 124 7.451 3.917 -2.542 1.00 0.00 N ATOM 1845 CD2 HIS A 124 9.597 4.254 -2.329 1.00 0.00 C ATOM 1846 CE1 HIS A 124 7.610 5.057 -1.893 1.00 0.00 C ATOM 1847 NE2 HIS A 124 8.898 5.283 -1.753 1.00 0.00 N ATOM 0 H HIS A 124 6.507 2.254 -5.219 1.00 0.00 H new ATOM 0 HA HIS A 124 9.405 2.600 -5.553 1.00 0.00 H new ATOM 0 HB2 HIS A 124 8.220 1.331 -3.076 1.00 0.00 H new ATOM 0 HB3 HIS A 124 9.897 1.734 -3.386 1.00 0.00 H new ATOM 0 HD1 HIS A 124 6.554 3.498 -2.788 1.00 0.00 H new ATOM 0 HD2 HIS A 124 10.672 4.156 -2.373 1.00 0.00 H new ATOM 0 HE1 HIS A 124 6.815 5.696 -1.537 1.00 0.00 H new ATOM 1856 N VAL A 125 9.312 0.258 -6.480 1.00 0.00 N ATOM 1857 CA VAL A 125 9.325 -1.106 -6.995 1.00 0.00 C ATOM 1858 C VAL A 125 10.147 -2.010 -6.080 1.00 0.00 C ATOM 1859 O VAL A 125 11.291 -1.693 -5.766 1.00 0.00 O ATOM 1860 CB VAL A 125 9.906 -1.149 -8.425 1.00 0.00 C ATOM 1861 CG1 VAL A 125 9.880 -2.564 -8.985 1.00 0.00 C ATOM 1862 CG2 VAL A 125 9.154 -0.188 -9.337 1.00 0.00 C ATOM 0 H VAL A 125 9.980 0.883 -6.930 1.00 0.00 H new ATOM 0 HA VAL A 125 8.296 -1.464 -7.025 1.00 0.00 H new ATOM 0 HB VAL A 125 10.947 -0.831 -8.377 1.00 0.00 H new ATOM 0 HG11 VAL A 125 10.295 -2.564 -9.993 1.00 0.00 H new ATOM 0 HG12 VAL A 125 10.475 -3.219 -8.348 1.00 0.00 H new ATOM 0 HG13 VAL A 125 8.852 -2.924 -9.016 1.00 0.00 H new ATOM 0 HG21 VAL A 125 9.577 -0.232 -10.340 1.00 0.00 H new ATOM 0 HG22 VAL A 125 8.102 -0.470 -9.374 1.00 0.00 H new ATOM 0 HG23 VAL A 125 9.244 0.827 -8.950 1.00 0.00 H new ATOM 1872 N ILE A 126 9.569 -3.131 -5.659 1.00 0.00 N ATOM 1873 CA ILE A 126 10.231 -4.038 -4.729 1.00 0.00 C ATOM 1874 C ILE A 126 10.248 -5.456 -5.273 1.00 0.00 C ATOM 1875 O ILE A 126 9.527 -5.796 -6.215 1.00 0.00 O ATOM 1876 CB ILE A 126 9.572 -4.038 -3.331 1.00 0.00 C ATOM 1877 CG1 ILE A 126 8.183 -4.688 -3.380 1.00 0.00 C ATOM 1878 CG2 ILE A 126 9.496 -2.621 -2.774 1.00 0.00 C ATOM 1879 CD1 ILE A 126 7.026 -3.716 -3.319 1.00 0.00 C ATOM 0 H ILE A 126 8.639 -3.433 -5.949 1.00 0.00 H new ATOM 0 HA ILE A 126 11.252 -3.672 -4.622 1.00 0.00 H new ATOM 0 HB ILE A 126 10.193 -4.632 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.102 -5.271 -4.298 1.00 0.00 H new ATOM 0 HG13 ILE A 126 8.095 -5.388 -2.549 1.00 0.00 H new ATOM 0 HG21 ILE A 126 9.029 -2.642 -1.789 1.00 0.00 H new ATOM 0 HG22 ILE A 126 10.501 -2.209 -2.690 1.00 0.00 H new ATOM 0 HG23 ILE A 126 8.903 -1.998 -3.444 1.00 0.00 H new ATOM 0 HD11 ILE A 126 6.086 -4.266 -3.360 1.00 0.00 H new ATOM 0 HD12 ILE A 126 7.075 -3.150 -2.389 1.00 0.00 H new ATOM 0 HD13 ILE A 126 7.082 -3.030 -4.165 1.00 0.00 H new ATOM 1891 N ASP A 127 11.084 -6.275 -4.667 1.00 0.00 N ATOM 1892 CA ASP A 127 11.337 -7.626 -5.145 1.00 0.00 C ATOM 1893 C ASP A 127 10.719 -8.655 -4.207 1.00 0.00 C ATOM 1894 O ASP A 127 11.062 -9.831 -4.223 1.00 0.00 O ATOM 1895 CB ASP A 127 12.850 -7.820 -5.289 1.00 0.00 C ATOM 1896 CG ASP A 127 13.244 -9.145 -5.917 1.00 0.00 C ATOM 1897 OD1 ASP A 127 12.825 -9.412 -7.062 1.00 0.00 O ATOM 1898 OD2 ASP A 127 14.003 -9.909 -5.278 1.00 0.00 O1- ATOM 0 H ASP A 127 11.609 -6.026 -3.829 1.00 0.00 H new ATOM 0 HA ASP A 127 10.870 -7.771 -6.119 1.00 0.00 H new ATOM 0 HB2 ASP A 127 13.254 -7.008 -5.894 1.00 0.00 H new ATOM 0 HB3 ASP A 127 13.311 -7.745 -4.304 1.00 0.00 H new ATOM 1903 N THR A 128 9.772 -8.188 -3.416 1.00 0.00 N ATOM 1904 CA THR A 128 9.060 -9.016 -2.454 1.00 0.00 C ATOM 1905 C THR A 128 7.867 -8.228 -1.925 1.00 0.00 C ATOM 1906 O THR A 128 7.994 -7.050 -1.626 1.00 0.00 O ATOM 1907 CB THR A 128 9.973 -9.439 -1.271 1.00 0.00 C ATOM 1908 OG1 THR A 128 10.935 -10.416 -1.695 1.00 0.00 O ATOM 1909 CG2 THR A 128 9.157 -9.997 -0.120 1.00 0.00 C ATOM 0 H THR A 128 9.470 -7.214 -3.421 1.00 0.00 H new ATOM 0 HA THR A 128 8.730 -9.926 -2.955 1.00 0.00 H new ATOM 0 HB THR A 128 10.497 -8.547 -0.928 1.00 0.00 H new ATOM 0 HG1 THR A 128 10.875 -10.534 -2.666 1.00 0.00 H new ATOM 0 HG21 THR A 128 9.824 -10.284 0.693 1.00 0.00 H new ATOM 0 HG22 THR A 128 8.460 -9.237 0.234 1.00 0.00 H new ATOM 0 HG23 THR A 128 8.600 -10.871 -0.459 1.00 0.00 H new ATOM 1917 N VAL A 129 6.707 -8.842 -1.848 1.00 0.00 N ATOM 1918 CA VAL A 129 5.564 -8.172 -1.284 1.00 0.00 C ATOM 1919 C VAL A 129 5.597 -8.294 0.239 1.00 0.00 C ATOM 1920 O VAL A 129 5.794 -9.425 0.732 1.00 0.00 O ATOM 1921 CB VAL A 129 4.248 -8.741 -1.832 1.00 0.00 C ATOM 1922 CG1 VAL A 129 3.085 -8.133 -1.096 1.00 0.00 C ATOM 1923 CG2 VAL A 129 4.127 -8.460 -3.318 1.00 0.00 C ATOM 0 H VAL A 129 6.534 -9.795 -2.167 1.00 0.00 H new ATOM 0 HA VAL A 129 5.612 -7.121 -1.568 1.00 0.00 H new ATOM 0 HB VAL A 129 4.243 -9.821 -1.682 1.00 0.00 H new ATOM 0 HG11 VAL A 129 2.153 -8.540 -1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 129 3.164 -8.366 -0.034 1.00 0.00 H new ATOM 0 HG13 VAL A 129 3.094 -7.051 -1.231 1.00 0.00 H new ATOM 0 HG21 VAL A 129 3.188 -8.870 -3.691 1.00 0.00 H new ATOM 0 HG22 VAL A 129 4.145 -7.383 -3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 129 4.960 -8.924 -3.845 1.00 0.00 H new TER 1933 VAL A 129