USER MOD reduce.3.24.130724 H: found=0, std=0, add=770, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 769 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 6 LYS NZ :NH3+ 168:sc= 0.31 (180deg=-0.0924) USER MOD Set 1.2: A 12 THR OG1 : rot 170:sc= 0.292 USER MOD Single : A 1 MET CE :methyl -164:sc= -0.121 (180deg=-0.179) USER MOD Single : A 1 MET N :NH3+ 174:sc= 1.19 (180deg=1.15) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 7 THR OG1 : rot 169:sc= -0.788 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ -169:sc= 0.91 (180deg=0.813) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00942 USER MOD Single : A 25 ASN : amide:sc= 1.17 K(o=1.2,f=-0.61) USER MOD Single : A 27 LYS NZ :NH3+ -177:sc= 1.06 (180deg=1.04) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.945 (180deg=0.929) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 161:sc= 1.12 (180deg=0.845) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 41 GLN : amide:sc= 0.56 K(o=0.56,f=-3.9!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0.9 K(o=0.9,f=-0.29) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0793 USER MOD Single : A 59 TYR OH : rot 70:sc=-0.00755 USER MOD Single : A 60 ASN : amide:sc= -0.042 X(o=-0.042,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.12) USER MOD Single : A 65 SER OG : rot 57:sc= 0.897 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= -0.86 K(o=-0.86,f=-3.7!) USER MOD Single : B 686 GLN : amide:sc= -0.118 X(o=-0.12,f=-0.12) USER MOD Single : B 689 TYR OH : rot 180:sc= 0 USER MOD Single : B 696 GLN : amide:sc= 0.626 K(o=0.63,f=-0.17) USER MOD Single : B 697 LYS NZ :NH3+ -142:sc= 1.33 (180deg=0.749) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.332 -1.837 -3.011 1.00 0.00 N ATOM 2 CA MET A 1 4.656 -1.896 -4.474 1.00 0.00 C ATOM 3 C MET A 1 4.405 -0.554 -5.175 1.00 0.00 C ATOM 4 O MET A 1 3.975 0.393 -4.530 1.00 0.00 O ATOM 5 CB MET A 1 3.932 -3.044 -5.218 1.00 0.00 C ATOM 6 CG MET A 1 2.409 -2.939 -5.428 1.00 0.00 C ATOM 7 SD MET A 1 1.737 -4.380 -6.284 1.00 0.00 S ATOM 8 CE MET A 1 0.183 -3.740 -6.961 1.00 0.00 C ATOM 0 H1 MET A 1 4.418 -2.787 -2.598 1.00 0.00 H new ATOM 0 H2 MET A 1 4.993 -1.191 -2.535 1.00 0.00 H new ATOM 0 H3 MET A 1 3.359 -1.491 -2.885 1.00 0.00 H new ATOM 0 HA MET A 1 5.723 -2.113 -4.522 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.396 -3.147 -6.199 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.129 -3.968 -4.674 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.917 -2.831 -4.461 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.184 -2.040 -6.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.454 -4.573 -7.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.327 -3.146 -6.203 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.394 -3.116 -7.830 1.00 0.00 H new ATOM 20 N GLN A 2 4.583 -0.473 -6.503 1.00 0.00 N ATOM 21 CA GLN A 2 4.288 0.723 -7.286 1.00 0.00 C ATOM 22 C GLN A 2 3.575 0.342 -8.577 1.00 0.00 C ATOM 23 O GLN A 2 3.788 -0.759 -9.077 1.00 0.00 O ATOM 24 CB GLN A 2 5.605 1.482 -7.529 1.00 0.00 C ATOM 25 CG GLN A 2 6.501 0.929 -8.657 1.00 0.00 C ATOM 26 CD GLN A 2 7.879 1.603 -8.716 1.00 0.00 C ATOM 27 OE1 GLN A 2 8.083 2.713 -8.225 1.00 0.00 O ATOM 28 NE2 GLN A 2 8.869 0.949 -9.310 1.00 0.00 N ATOM 0 H GLN A 2 4.940 -1.247 -7.063 1.00 0.00 H new ATOM 0 HA GLN A 2 3.611 1.385 -6.747 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.367 2.521 -7.756 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.179 1.482 -6.602 1.00 0.00 H new ATOM 0 HG2 GLN A 2 6.633 -0.144 -8.515 1.00 0.00 H new ATOM 0 HG3 GLN A 2 5.996 1.064 -9.613 1.00 0.00 H new ATOM 0 HE21 GLN A 2 8.701 0.029 -9.717 1.00 0.00 H new ATOM 0 HE22 GLN A 2 9.798 1.366 -9.359 1.00 0.00 H new ATOM 37 N ILE A 3 2.785 1.254 -9.140 1.00 0.00 N ATOM 38 CA ILE A 3 2.113 1.063 -10.440 1.00 0.00 C ATOM 39 C ILE A 3 2.114 2.378 -11.200 1.00 0.00 C ATOM 40 O ILE A 3 2.204 3.436 -10.587 1.00 0.00 O ATOM 41 CB ILE A 3 0.692 0.487 -10.261 1.00 0.00 C ATOM 42 CG1 ILE A 3 -0.107 1.236 -9.180 1.00 0.00 C ATOM 43 CG2 ILE A 3 0.759 -1.008 -9.889 1.00 0.00 C ATOM 44 CD1 ILE A 3 -1.557 1.472 -9.586 1.00 0.00 C ATOM 0 H ILE A 3 2.586 2.157 -8.709 1.00 0.00 H new ATOM 0 HA ILE A 3 2.662 0.327 -11.027 1.00 0.00 H new ATOM 0 HB ILE A 3 0.180 0.613 -11.215 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.081 0.665 -8.252 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.371 2.194 -8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -0.251 -1.398 -9.767 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.267 -1.558 -10.682 1.00 0.00 H new ATOM 0 HG23 ILE A 3 1.309 -1.126 -8.956 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -2.076 2.004 -8.789 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -1.587 2.067 -10.499 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.046 0.514 -9.762 1.00 0.00 H new ATOM 56 N PHE A 4 2.010 2.308 -12.524 1.00 0.00 N ATOM 57 CA PHE A 4 2.210 3.420 -13.437 1.00 0.00 C ATOM 58 C PHE A 4 0.870 3.812 -14.031 1.00 0.00 C ATOM 59 O PHE A 4 0.373 3.167 -14.942 1.00 0.00 O ATOM 60 CB PHE A 4 3.221 3.030 -14.532 1.00 0.00 C ATOM 61 CG PHE A 4 4.394 2.197 -14.072 1.00 0.00 C ATOM 62 CD1 PHE A 4 5.199 2.665 -13.027 1.00 0.00 C ATOM 63 CD2 PHE A 4 4.676 0.953 -14.665 1.00 0.00 C ATOM 64 CE1 PHE A 4 6.258 1.884 -12.540 1.00 0.00 C ATOM 65 CE2 PHE A 4 5.775 0.205 -14.214 1.00 0.00 C ATOM 66 CZ PHE A 4 6.571 0.668 -13.157 1.00 0.00 C ATOM 0 H PHE A 4 1.775 1.440 -13.005 1.00 0.00 H new ATOM 0 HA PHE A 4 2.621 4.277 -12.903 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.692 2.481 -15.311 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.604 3.942 -14.989 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.004 3.634 -12.592 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.052 0.576 -15.461 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.831 2.221 -11.689 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.010 -0.737 -14.686 1.00 0.00 H new ATOM 0 HZ PHE A 4 7.420 0.090 -12.821 1.00 0.00 H new ATOM 76 N VAL A 5 0.236 4.853 -13.530 1.00 0.00 N ATOM 77 CA VAL A 5 -1.055 5.279 -14.058 1.00 0.00 C ATOM 78 C VAL A 5 -0.765 6.221 -15.214 1.00 0.00 C ATOM 79 O VAL A 5 -0.340 7.354 -14.999 1.00 0.00 O ATOM 80 CB VAL A 5 -1.956 5.846 -12.950 1.00 0.00 C ATOM 81 CG1 VAL A 5 -3.361 6.144 -13.498 1.00 0.00 C ATOM 82 CG2 VAL A 5 -2.046 4.815 -11.812 1.00 0.00 C ATOM 0 H VAL A 5 0.588 5.422 -12.760 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.641 4.445 -14.444 1.00 0.00 H new ATOM 0 HB VAL A 5 -1.530 6.778 -12.578 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.985 6.545 -12.700 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -3.290 6.874 -14.304 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.805 5.225 -13.879 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -2.683 5.204 -11.018 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.470 3.887 -12.195 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.049 4.622 -11.416 1.00 0.00 H new ATOM 92 N LYS A 6 -0.939 5.758 -16.452 1.00 0.00 N ATOM 93 CA LYS A 6 -0.855 6.642 -17.596 1.00 0.00 C ATOM 94 C LYS A 6 -2.060 7.552 -17.576 1.00 0.00 C ATOM 95 O LYS A 6 -3.187 7.072 -17.522 1.00 0.00 O ATOM 96 CB LYS A 6 -0.767 5.879 -18.925 1.00 0.00 C ATOM 97 CG LYS A 6 -0.127 6.850 -19.935 1.00 0.00 C ATOM 98 CD LYS A 6 -0.072 6.302 -21.359 1.00 0.00 C ATOM 99 CE LYS A 6 1.227 6.727 -22.077 1.00 0.00 C ATOM 100 NZ LYS A 6 2.455 6.068 -21.529 1.00 0.00 N ATOM 0 H LYS A 6 -1.137 4.783 -16.679 1.00 0.00 H new ATOM 0 HA LYS A 6 0.064 7.223 -17.524 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.165 4.977 -18.817 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.755 5.564 -19.260 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -0.690 7.784 -19.935 1.00 0.00 H new ATOM 0 HG3 LYS A 6 0.885 7.088 -19.607 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -0.137 5.214 -21.334 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -0.934 6.660 -21.922 1.00 0.00 H new ATOM 0 HE2 LYS A 6 1.140 6.491 -23.138 1.00 0.00 H new ATOM 0 HE3 LYS A 6 1.339 7.808 -21.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.255 6.233 -22.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 2.675 6.467 -20.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 2.289 5.045 -21.438 1.00 0.00 H new ATOM 114 N THR A 7 -1.857 8.855 -17.615 1.00 0.00 N ATOM 115 CA THR A 7 -2.945 9.757 -17.836 1.00 0.00 C ATOM 116 C THR A 7 -3.195 9.909 -19.307 1.00 0.00 C ATOM 117 O THR A 7 -2.320 9.684 -20.143 1.00 0.00 O ATOM 118 CB THR A 7 -2.739 11.080 -17.147 1.00 0.00 C ATOM 119 OG1 THR A 7 -1.582 11.685 -17.661 1.00 0.00 O ATOM 120 CG2 THR A 7 -2.557 10.957 -15.653 1.00 0.00 C ATOM 0 H THR A 7 -0.947 9.301 -17.496 1.00 0.00 H new ATOM 0 HA THR A 7 -3.840 9.329 -17.384 1.00 0.00 H new ATOM 0 HB THR A 7 -3.638 11.668 -17.331 1.00 0.00 H new ATOM 0 HG1 THR A 7 -1.535 12.614 -17.354 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.414 11.947 -15.221 1.00 0.00 H new ATOM 0 HG22 THR A 7 -3.442 10.495 -15.215 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.684 10.340 -15.442 1.00 0.00 H new ATOM 128 N LEU A 8 -4.412 10.332 -19.617 1.00 0.00 N ATOM 129 CA LEU A 8 -4.808 10.427 -21.011 1.00 0.00 C ATOM 130 C LEU A 8 -3.940 11.410 -21.804 1.00 0.00 C ATOM 131 O LEU A 8 -3.958 11.299 -23.019 1.00 0.00 O ATOM 132 CB LEU A 8 -6.299 10.694 -21.232 1.00 0.00 C ATOM 133 CG LEU A 8 -7.289 9.559 -20.913 1.00 0.00 C ATOM 134 CD1 LEU A 8 -8.589 9.734 -21.703 1.00 0.00 C ATOM 135 CD2 LEU A 8 -6.724 8.154 -21.185 1.00 0.00 C ATOM 0 H LEU A 8 -5.124 10.608 -18.941 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.628 9.428 -21.408 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -6.577 11.559 -20.630 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.437 10.975 -22.276 1.00 0.00 H new ATOM 0 HG LEU A 8 -7.481 9.632 -19.843 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.274 8.921 -21.462 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -9.049 10.686 -21.440 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.371 9.720 -22.771 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.476 7.405 -20.938 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -6.458 8.067 -22.238 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -5.837 7.994 -20.572 1.00 0.00 H new ATOM 147 N THR A 9 -3.164 12.312 -21.190 1.00 0.00 N ATOM 148 CA THR A 9 -2.343 13.286 -21.917 1.00 0.00 C ATOM 149 C THR A 9 -1.108 12.599 -22.516 1.00 0.00 C ATOM 150 O THR A 9 -0.431 13.159 -23.387 1.00 0.00 O ATOM 151 CB THR A 9 -1.948 14.464 -20.996 1.00 0.00 C ATOM 152 OG1 THR A 9 -1.120 15.427 -21.620 1.00 0.00 O ATOM 153 CG2 THR A 9 -1.310 14.061 -19.668 1.00 0.00 C ATOM 0 H THR A 9 -3.088 12.386 -20.176 1.00 0.00 H new ATOM 0 HA THR A 9 -2.930 13.696 -22.739 1.00 0.00 H new ATOM 0 HB THR A 9 -2.918 14.912 -20.779 1.00 0.00 H new ATOM 0 HG1 THR A 9 -0.911 16.141 -20.982 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.069 14.956 -19.094 1.00 0.00 H new ATOM 0 HG22 THR A 9 -2.007 13.443 -19.102 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.398 13.496 -19.859 1.00 0.00 H new ATOM 161 N GLY A 10 -0.802 11.376 -22.068 1.00 0.00 N ATOM 162 CA GLY A 10 0.452 10.729 -22.390 1.00 0.00 C ATOM 163 C GLY A 10 1.483 11.015 -21.311 1.00 0.00 C ATOM 164 O GLY A 10 2.657 11.200 -21.640 1.00 0.00 O ATOM 0 H GLY A 10 -1.419 10.819 -21.477 1.00 0.00 H new ATOM 0 HA2 GLY A 10 0.301 9.653 -22.483 1.00 0.00 H new ATOM 0 HA3 GLY A 10 0.816 11.084 -23.354 1.00 0.00 H new ATOM 168 N LYS A 11 1.069 11.066 -20.032 1.00 0.00 N ATOM 169 CA LYS A 11 2.037 11.118 -18.929 1.00 0.00 C ATOM 170 C LYS A 11 1.835 9.834 -18.171 1.00 0.00 C ATOM 171 O LYS A 11 0.739 9.302 -18.209 1.00 0.00 O ATOM 172 CB LYS A 11 1.796 12.398 -18.105 1.00 0.00 C ATOM 173 CG LYS A 11 2.668 12.520 -16.843 1.00 0.00 C ATOM 174 CD LYS A 11 2.023 12.075 -15.520 1.00 0.00 C ATOM 175 CE LYS A 11 0.760 12.849 -15.104 1.00 0.00 C ATOM 176 NZ LYS A 11 1.009 14.264 -14.716 1.00 0.00 N ATOM 0 H LYS A 11 0.091 11.072 -19.743 1.00 0.00 H new ATOM 0 HA LYS A 11 3.079 11.182 -19.244 1.00 0.00 H new ATOM 0 HB2 LYS A 11 1.978 13.264 -18.742 1.00 0.00 H new ATOM 0 HB3 LYS A 11 0.747 12.433 -17.811 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.574 11.933 -16.996 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.976 13.561 -16.740 1.00 0.00 H new ATOM 0 HD2 LYS A 11 1.771 11.017 -15.597 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.763 12.169 -14.726 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.048 12.831 -15.930 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.291 12.332 -14.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.154 14.659 -14.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.797 14.305 -14.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 1.250 14.819 -15.562 1.00 0.00 H new ATOM 190 N THR A 12 2.816 9.340 -17.439 1.00 0.00 N ATOM 191 CA THR A 12 2.646 8.165 -16.598 1.00 0.00 C ATOM 192 C THR A 12 3.105 8.524 -15.191 1.00 0.00 C ATOM 193 O THR A 12 4.277 8.823 -14.964 1.00 0.00 O ATOM 194 CB THR A 12 3.356 6.963 -17.245 1.00 0.00 C ATOM 195 OG1 THR A 12 3.268 7.005 -18.664 1.00 0.00 O ATOM 196 CG2 THR A 12 2.663 5.679 -16.808 1.00 0.00 C ATOM 0 H THR A 12 3.754 9.740 -17.409 1.00 0.00 H new ATOM 0 HA THR A 12 1.605 7.855 -16.510 1.00 0.00 H new ATOM 0 HB THR A 12 4.400 6.997 -16.935 1.00 0.00 H new ATOM 0 HG1 THR A 12 3.859 6.325 -19.049 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.162 4.823 -17.263 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.710 5.591 -15.723 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.620 5.702 -17.125 1.00 0.00 H new ATOM 204 N ILE A 13 2.140 8.562 -14.264 1.00 0.00 N ATOM 205 CA ILE A 13 2.367 8.884 -12.865 1.00 0.00 C ATOM 206 C ILE A 13 2.476 7.562 -12.136 1.00 0.00 C ATOM 207 O ILE A 13 1.508 6.814 -12.030 1.00 0.00 O ATOM 208 CB ILE A 13 1.293 9.847 -12.297 1.00 0.00 C ATOM 209 CG1 ILE A 13 1.087 9.771 -10.762 1.00 0.00 C ATOM 210 CG2 ILE A 13 -0.074 9.853 -12.986 1.00 0.00 C ATOM 211 CD1 ILE A 13 -0.237 9.194 -10.252 1.00 0.00 C ATOM 0 H ILE A 13 1.162 8.364 -14.478 1.00 0.00 H new ATOM 0 HA ILE A 13 3.290 9.447 -12.729 1.00 0.00 H new ATOM 0 HB ILE A 13 1.768 10.797 -12.544 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.897 9.174 -10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.192 10.778 -10.359 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -0.728 10.570 -12.490 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.047 10.136 -14.032 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -0.515 8.858 -12.928 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -0.242 9.202 -9.162 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.064 9.799 -10.623 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.348 8.170 -10.608 1.00 0.00 H new ATOM 223 N THR A 14 3.670 7.273 -11.644 1.00 0.00 N ATOM 224 CA THR A 14 3.900 6.138 -10.779 1.00 0.00 C ATOM 225 C THR A 14 3.347 6.490 -9.401 1.00 0.00 C ATOM 226 O THR A 14 3.465 7.632 -8.944 1.00 0.00 O ATOM 227 CB THR A 14 5.399 5.849 -10.718 1.00 0.00 C ATOM 228 OG1 THR A 14 5.935 5.861 -12.030 1.00 0.00 O ATOM 229 CG2 THR A 14 5.689 4.490 -10.051 1.00 0.00 C ATOM 0 H THR A 14 4.507 7.824 -11.837 1.00 0.00 H new ATOM 0 HA THR A 14 3.402 5.243 -11.152 1.00 0.00 H new ATOM 0 HB THR A 14 5.869 6.625 -10.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 6.897 5.677 -11.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.765 4.319 -10.026 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.298 4.493 -9.033 1.00 0.00 H new ATOM 0 HG23 THR A 14 5.209 3.695 -10.621 1.00 0.00 H new ATOM 237 N LEU A 15 2.769 5.503 -8.723 1.00 0.00 N ATOM 238 CA LEU A 15 2.265 5.656 -7.371 1.00 0.00 C ATOM 239 C LEU A 15 2.500 4.384 -6.599 1.00 0.00 C ATOM 240 O LEU A 15 2.502 3.312 -7.194 1.00 0.00 O ATOM 241 CB LEU A 15 0.788 6.068 -7.419 1.00 0.00 C ATOM 242 CG LEU A 15 -0.208 5.079 -8.044 1.00 0.00 C ATOM 243 CD1 LEU A 15 -0.797 4.149 -6.996 1.00 0.00 C ATOM 244 CD2 LEU A 15 -1.388 5.855 -8.606 1.00 0.00 C ATOM 0 H LEU A 15 2.638 4.566 -9.105 1.00 0.00 H new ATOM 0 HA LEU A 15 2.799 6.448 -6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.463 6.272 -6.399 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.719 7.007 -7.969 1.00 0.00 H new ATOM 0 HG LEU A 15 0.331 4.512 -8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.497 3.462 -7.471 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.004 3.581 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.320 4.736 -6.241 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.101 5.161 -9.052 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.875 6.409 -7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.036 6.552 -9.366 1.00 0.00 H new ATOM 256 N GLU A 16 2.660 4.496 -5.285 1.00 0.00 N ATOM 257 CA GLU A 16 3.019 3.375 -4.435 1.00 0.00 C ATOM 258 C GLU A 16 1.810 2.955 -3.618 1.00 0.00 C ATOM 259 O GLU A 16 1.186 3.762 -2.926 1.00 0.00 O ATOM 260 CB GLU A 16 4.224 3.724 -3.552 1.00 0.00 C ATOM 261 CG GLU A 16 5.514 3.535 -4.349 1.00 0.00 C ATOM 262 CD GLU A 16 6.758 3.902 -3.521 1.00 0.00 C ATOM 263 OE1 GLU A 16 7.321 3.014 -2.836 1.00 0.00 O ATOM 264 OE2 GLU A 16 7.193 5.080 -3.559 1.00 0.00 O ATOM 0 H GLU A 16 2.543 5.374 -4.780 1.00 0.00 H new ATOM 0 HA GLU A 16 3.321 2.529 -5.053 1.00 0.00 H new ATOM 0 HB2 GLU A 16 4.147 4.754 -3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 16 4.235 3.089 -2.666 1.00 0.00 H new ATOM 0 HG2 GLU A 16 5.589 2.498 -4.678 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.480 4.152 -5.247 1.00 0.00 H new ATOM 271 N VAL A 17 1.465 1.681 -3.777 1.00 0.00 N ATOM 272 CA VAL A 17 0.247 1.020 -3.299 1.00 0.00 C ATOM 273 C VAL A 17 0.551 -0.457 -3.050 1.00 0.00 C ATOM 274 O VAL A 17 1.690 -0.894 -3.193 1.00 0.00 O ATOM 275 CB VAL A 17 -0.890 1.193 -4.331 1.00 0.00 C ATOM 276 CG1 VAL A 17 -1.483 2.594 -4.238 1.00 0.00 C ATOM 277 CG2 VAL A 17 -0.426 0.861 -5.754 1.00 0.00 C ATOM 0 H VAL A 17 2.071 1.033 -4.280 1.00 0.00 H new ATOM 0 HA VAL A 17 -0.084 1.474 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.676 0.478 -4.090 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.283 2.700 -4.971 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.885 2.753 -3.237 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.706 3.332 -4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.256 0.996 -6.448 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.392 1.524 -6.034 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.084 -0.173 -5.793 1.00 0.00 H new ATOM 287 N GLU A 18 -0.480 -1.233 -2.748 1.00 0.00 N ATOM 288 CA GLU A 18 -0.419 -2.672 -2.518 1.00 0.00 C ATOM 289 C GLU A 18 -1.347 -3.330 -3.532 1.00 0.00 C ATOM 290 O GLU A 18 -2.299 -2.675 -3.957 1.00 0.00 O ATOM 291 CB GLU A 18 -0.919 -2.988 -1.099 1.00 0.00 C ATOM 292 CG GLU A 18 -0.058 -2.396 0.019 1.00 0.00 C ATOM 293 CD GLU A 18 1.311 -3.099 0.149 1.00 0.00 C ATOM 294 OE1 GLU A 18 2.268 -2.737 -0.581 1.00 0.00 O ATOM 295 OE2 GLU A 18 1.435 -4.028 0.980 1.00 0.00 O ATOM 0 H GLU A 18 -1.425 -0.861 -2.652 1.00 0.00 H new ATOM 0 HA GLU A 18 0.603 -3.038 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.937 -2.614 -0.994 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.962 -4.070 -0.974 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.099 -1.334 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.594 -2.474 0.965 1.00 0.00 H new ATOM 302 N PRO A 19 -1.167 -4.613 -3.881 1.00 0.00 N ATOM 303 CA PRO A 19 -2.145 -5.337 -4.685 1.00 0.00 C ATOM 304 C PRO A 19 -3.569 -5.274 -4.101 1.00 0.00 C ATOM 305 O PRO A 19 -4.551 -5.196 -4.836 1.00 0.00 O ATOM 306 CB PRO A 19 -1.624 -6.778 -4.776 1.00 0.00 C ATOM 307 CG PRO A 19 -0.149 -6.715 -4.397 1.00 0.00 C ATOM 308 CD PRO A 19 -0.040 -5.466 -3.523 1.00 0.00 C ATOM 0 HA PRO A 19 -2.242 -4.883 -5.671 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -2.173 -7.435 -4.101 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.752 -7.176 -5.782 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.162 -7.608 -3.855 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.486 -6.640 -5.280 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.072 -5.728 -2.465 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.906 -4.953 -3.696 1.00 0.00 H new ATOM 316 N SER A 20 -3.703 -5.215 -2.777 1.00 0.00 N ATOM 317 CA SER A 20 -4.988 -5.210 -2.091 1.00 0.00 C ATOM 318 C SER A 20 -5.446 -3.782 -1.842 1.00 0.00 C ATOM 319 O SER A 20 -6.454 -3.580 -1.163 1.00 0.00 O ATOM 320 CB SER A 20 -4.879 -6.019 -0.787 1.00 0.00 C ATOM 321 OG SER A 20 -4.309 -7.299 -1.032 1.00 0.00 O ATOM 0 H SER A 20 -2.906 -5.169 -2.142 1.00 0.00 H new ATOM 0 HA SER A 20 -5.743 -5.685 -2.717 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.267 -5.476 -0.067 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.867 -6.135 -0.342 1.00 0.00 H new ATOM 0 HG SER A 20 -4.247 -7.796 -0.190 1.00 0.00 H new ATOM 327 N ASP A 21 -4.728 -2.786 -2.374 1.00 0.00 N ATOM 328 CA ASP A 21 -5.207 -1.431 -2.286 1.00 0.00 C ATOM 329 C ASP A 21 -6.370 -1.255 -3.250 1.00 0.00 C ATOM 330 O ASP A 21 -6.354 -1.762 -4.382 1.00 0.00 O ATOM 331 CB ASP A 21 -4.125 -0.393 -2.561 1.00 0.00 C ATOM 332 CG ASP A 21 -4.606 0.988 -2.098 1.00 0.00 C ATOM 333 OD1 ASP A 21 -5.196 1.077 -0.997 1.00 0.00 O ATOM 334 OD2 ASP A 21 -4.337 1.988 -2.795 1.00 0.00 O ATOM 0 H ASP A 21 -3.836 -2.902 -2.856 1.00 0.00 H new ATOM 0 HA ASP A 21 -5.533 -1.262 -1.260 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -3.207 -0.663 -2.039 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -3.892 -0.370 -3.625 1.00 0.00 H new ATOM 339 N THR A 22 -7.401 -0.575 -2.769 1.00 0.00 N ATOM 340 CA THR A 22 -8.597 -0.316 -3.542 1.00 0.00 C ATOM 341 C THR A 22 -8.361 0.756 -4.587 1.00 0.00 C ATOM 342 O THR A 22 -7.628 1.727 -4.385 1.00 0.00 O ATOM 343 CB THR A 22 -9.802 0.057 -2.670 1.00 0.00 C ATOM 344 OG1 THR A 22 -9.422 0.986 -1.663 1.00 0.00 O ATOM 345 CG2 THR A 22 -10.397 -1.193 -2.032 1.00 0.00 C ATOM 0 H THR A 22 -7.427 -0.187 -1.826 1.00 0.00 H new ATOM 0 HA THR A 22 -8.835 -1.254 -4.044 1.00 0.00 H new ATOM 0 HB THR A 22 -10.556 0.523 -3.305 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.203 1.214 -1.117 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.252 -0.915 -1.415 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.721 -1.881 -2.813 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.644 -1.678 -1.411 1.00 0.00 H new ATOM 353 N ILE A 23 -9.085 0.607 -5.689 1.00 0.00 N ATOM 354 CA ILE A 23 -9.190 1.611 -6.735 1.00 0.00 C ATOM 355 C ILE A 23 -9.546 2.985 -6.160 1.00 0.00 C ATOM 356 O ILE A 23 -8.961 3.964 -6.610 1.00 0.00 O ATOM 357 CB ILE A 23 -10.222 1.141 -7.769 1.00 0.00 C ATOM 358 CG1 ILE A 23 -9.898 -0.233 -8.396 1.00 0.00 C ATOM 359 CG2 ILE A 23 -10.439 2.162 -8.899 1.00 0.00 C ATOM 360 CD1 ILE A 23 -8.429 -0.664 -8.488 1.00 0.00 C ATOM 0 H ILE A 23 -9.627 -0.235 -5.883 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.223 1.727 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 23 -11.141 1.041 -7.191 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.432 -0.993 -7.825 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.311 -0.243 -9.405 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -11.179 1.776 -9.601 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -10.795 3.102 -8.477 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.498 2.332 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.367 -1.649 -8.951 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -7.876 0.056 -9.091 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -7.999 -0.705 -7.487 1.00 0.00 H new ATOM 372 N GLU A 24 -10.442 3.090 -5.173 1.00 0.00 N ATOM 373 CA GLU A 24 -10.791 4.387 -4.583 1.00 0.00 C ATOM 374 C GLU A 24 -9.546 5.086 -4.038 1.00 0.00 C ATOM 375 O GLU A 24 -9.312 6.268 -4.301 1.00 0.00 O ATOM 376 CB GLU A 24 -11.829 4.178 -3.467 1.00 0.00 C ATOM 377 CG GLU A 24 -12.376 5.507 -2.929 1.00 0.00 C ATOM 378 CD GLU A 24 -13.441 5.262 -1.846 1.00 0.00 C ATOM 379 OE1 GLU A 24 -13.071 5.033 -0.670 1.00 0.00 O ATOM 380 OE2 GLU A 24 -14.655 5.314 -2.160 1.00 0.00 O ATOM 0 H GLU A 24 -10.937 2.296 -4.767 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.220 5.026 -5.355 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.653 3.575 -3.848 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.374 3.617 -2.651 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.560 6.100 -2.516 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.808 6.085 -3.746 1.00 0.00 H new ATOM 387 N ASN A 25 -8.710 4.340 -3.315 1.00 0.00 N ATOM 388 CA ASN A 25 -7.520 4.900 -2.688 1.00 0.00 C ATOM 389 C ASN A 25 -6.428 5.167 -3.719 1.00 0.00 C ATOM 390 O ASN A 25 -5.705 6.156 -3.625 1.00 0.00 O ATOM 391 CB ASN A 25 -7.037 3.961 -1.579 1.00 0.00 C ATOM 392 CG ASN A 25 -5.917 4.572 -0.739 1.00 0.00 C ATOM 393 OD1 ASN A 25 -5.856 5.779 -0.510 1.00 0.00 O ATOM 394 ND2 ASN A 25 -5.043 3.732 -0.216 1.00 0.00 N ATOM 0 H ASN A 25 -8.839 3.342 -3.151 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.771 5.862 -2.241 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.876 3.708 -0.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -6.686 3.030 -2.024 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.300 4.081 0.390 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.111 2.734 -0.418 1.00 0.00 H new ATOM 401 N VAL A 26 -6.359 4.361 -4.778 1.00 0.00 N ATOM 402 CA VAL A 26 -5.507 4.622 -5.928 1.00 0.00 C ATOM 403 C VAL A 26 -5.925 5.955 -6.559 1.00 0.00 C ATOM 404 O VAL A 26 -5.087 6.841 -6.701 1.00 0.00 O ATOM 405 CB VAL A 26 -5.626 3.431 -6.887 1.00 0.00 C ATOM 406 CG1 VAL A 26 -4.972 3.722 -8.237 1.00 0.00 C ATOM 407 CG2 VAL A 26 -5.042 2.132 -6.322 1.00 0.00 C ATOM 0 H VAL A 26 -6.901 3.500 -4.858 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.457 4.719 -5.652 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.698 3.287 -7.021 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.078 2.854 -8.887 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.457 4.582 -8.698 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.914 3.938 -8.090 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.160 1.332 -7.053 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -3.983 2.273 -6.106 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.567 1.866 -5.404 1.00 0.00 H new ATOM 417 N LYS A 27 -7.204 6.152 -6.901 1.00 0.00 N ATOM 418 CA LYS A 27 -7.676 7.434 -7.450 1.00 0.00 C ATOM 419 C LYS A 27 -7.348 8.594 -6.510 1.00 0.00 C ATOM 420 O LYS A 27 -7.055 9.679 -7.001 1.00 0.00 O ATOM 421 CB LYS A 27 -9.208 7.449 -7.661 1.00 0.00 C ATOM 422 CG LYS A 27 -9.827 6.543 -8.735 1.00 0.00 C ATOM 423 CD LYS A 27 -11.322 6.911 -8.833 1.00 0.00 C ATOM 424 CE LYS A 27 -12.195 5.927 -9.618 1.00 0.00 C ATOM 425 NZ LYS A 27 -13.622 6.382 -9.596 1.00 0.00 N ATOM 0 H LYS A 27 -7.931 5.443 -6.808 1.00 0.00 H new ATOM 0 HA LYS A 27 -7.165 7.549 -8.406 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.672 7.193 -6.709 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -9.497 8.474 -7.891 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -9.331 6.689 -9.695 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.705 5.493 -8.470 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.723 6.999 -7.823 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.406 7.894 -9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -11.843 5.856 -10.647 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -12.115 4.930 -9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.217 5.684 -10.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -13.941 6.477 -8.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.701 7.302 -10.075 1.00 0.00 H new ATOM 439 N ALA A 28 -7.374 8.408 -5.190 1.00 0.00 N ATOM 440 CA ALA A 28 -6.999 9.472 -4.256 1.00 0.00 C ATOM 441 C ALA A 28 -5.517 9.815 -4.391 1.00 0.00 C ATOM 442 O ALA A 28 -5.148 10.984 -4.324 1.00 0.00 O ATOM 443 CB ALA A 28 -7.324 9.080 -2.816 1.00 0.00 C ATOM 0 H ALA A 28 -7.650 7.533 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.584 10.356 -4.509 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.035 9.889 -2.145 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.394 8.895 -2.722 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -6.775 8.176 -2.552 1.00 0.00 H new ATOM 449 N LYS A 29 -4.656 8.837 -4.675 1.00 0.00 N ATOM 450 CA LYS A 29 -3.249 9.122 -4.979 1.00 0.00 C ATOM 451 C LYS A 29 -3.130 9.852 -6.319 1.00 0.00 C ATOM 452 O LYS A 29 -2.249 10.679 -6.506 1.00 0.00 O ATOM 453 CB LYS A 29 -2.429 7.824 -4.944 1.00 0.00 C ATOM 454 CG LYS A 29 -2.365 7.295 -3.502 1.00 0.00 C ATOM 455 CD LYS A 29 -1.847 5.855 -3.387 1.00 0.00 C ATOM 456 CE LYS A 29 -1.701 5.472 -1.901 1.00 0.00 C ATOM 457 NZ LYS A 29 -0.317 5.676 -1.377 1.00 0.00 N ATOM 0 H LYS A 29 -4.903 7.848 -4.701 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.839 9.786 -4.217 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.882 7.078 -5.596 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.423 8.007 -5.320 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.722 7.950 -2.914 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.361 7.348 -3.062 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.535 5.170 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -0.886 5.763 -3.892 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.398 6.065 -1.309 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.982 4.427 -1.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.301 5.483 -0.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 0.337 5.029 -1.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.022 6.659 -1.548 1.00 0.00 H new ATOM 471 N ILE A 30 -4.061 9.628 -7.248 1.00 0.00 N ATOM 472 CA ILE A 30 -4.121 10.439 -8.467 1.00 0.00 C ATOM 473 C ILE A 30 -4.523 11.864 -8.116 1.00 0.00 C ATOM 474 O ILE A 30 -3.945 12.781 -8.646 1.00 0.00 O ATOM 475 CB ILE A 30 -5.055 9.852 -9.539 1.00 0.00 C ATOM 476 CG1 ILE A 30 -4.851 8.360 -9.811 1.00 0.00 C ATOM 477 CG2 ILE A 30 -4.880 10.612 -10.857 1.00 0.00 C ATOM 478 CD1 ILE A 30 -3.403 7.957 -9.987 1.00 0.00 C ATOM 0 H ILE A 30 -4.775 8.902 -7.183 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.123 10.437 -8.906 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.062 9.966 -9.137 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.278 7.789 -8.986 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.405 8.086 -10.709 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.545 10.190 -11.611 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.123 11.664 -10.706 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.847 10.524 -11.194 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -3.344 6.885 -10.176 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.975 8.498 -10.831 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.846 8.197 -9.081 1.00 0.00 H new ATOM 490 N GLN A 31 -5.465 12.097 -7.218 1.00 0.00 N ATOM 491 CA GLN A 31 -5.798 13.433 -6.721 1.00 0.00 C ATOM 492 C GLN A 31 -4.558 14.087 -6.108 1.00 0.00 C ATOM 493 O GLN A 31 -4.310 15.263 -6.357 1.00 0.00 O ATOM 494 CB GLN A 31 -6.943 13.369 -5.702 1.00 0.00 C ATOM 495 CG GLN A 31 -7.534 14.746 -5.330 1.00 0.00 C ATOM 496 CD GLN A 31 -7.871 14.815 -3.838 1.00 0.00 C ATOM 497 OE1 GLN A 31 -7.015 15.107 -3.006 1.00 0.00 O ATOM 498 NE2 GLN A 31 -9.105 14.527 -3.461 1.00 0.00 N ATOM 0 H GLN A 31 -6.032 11.357 -6.804 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.135 14.042 -7.560 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.738 12.741 -6.104 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.581 12.884 -4.795 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.821 15.531 -5.582 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.433 14.931 -5.918 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -9.808 14.286 -4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.354 14.546 -2.472 1.00 0.00 H new ATOM 507 N ASP A 32 -3.744 13.315 -5.389 1.00 0.00 N ATOM 508 CA ASP A 32 -2.484 13.809 -4.829 1.00 0.00 C ATOM 509 C ASP A 32 -1.521 14.267 -5.939 1.00 0.00 C ATOM 510 O ASP A 32 -0.794 15.244 -5.745 1.00 0.00 O ATOM 511 CB ASP A 32 -1.835 12.754 -3.927 1.00 0.00 C ATOM 512 CG ASP A 32 -0.382 13.110 -3.567 1.00 0.00 C ATOM 513 OD1 ASP A 32 -0.176 14.007 -2.715 1.00 0.00 O ATOM 514 OD2 ASP A 32 0.548 12.460 -4.106 1.00 0.00 O ATOM 0 H ASP A 32 -3.936 12.336 -5.179 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.710 14.680 -4.213 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.419 12.652 -3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.856 11.787 -4.429 1.00 0.00 H new ATOM 519 N LYS A 33 -1.534 13.605 -7.107 1.00 0.00 N ATOM 520 CA LYS A 33 -0.545 13.855 -8.155 1.00 0.00 C ATOM 521 C LYS A 33 -1.033 14.787 -9.258 1.00 0.00 C ATOM 522 O LYS A 33 -0.254 15.552 -9.827 1.00 0.00 O ATOM 523 CB LYS A 33 -0.175 12.505 -8.747 1.00 0.00 C ATOM 524 CG LYS A 33 0.491 11.588 -7.704 1.00 0.00 C ATOM 525 CD LYS A 33 2.018 11.752 -7.679 1.00 0.00 C ATOM 526 CE LYS A 33 2.618 10.663 -6.787 1.00 0.00 C ATOM 527 NZ LYS A 33 2.639 11.057 -5.345 1.00 0.00 N ATOM 0 H LYS A 33 -2.223 12.891 -7.345 1.00 0.00 H new ATOM 0 HA LYS A 33 0.308 14.363 -7.705 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.070 12.021 -9.138 1.00 0.00 H new ATOM 0 HB3 LYS A 33 0.502 12.650 -9.589 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.087 11.810 -6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.242 10.550 -7.924 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.422 11.677 -8.689 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.285 12.739 -7.301 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.042 9.745 -6.902 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.634 10.446 -7.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.742 10.207 -4.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.440 11.698 -5.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.750 11.541 -5.104 1.00 0.00 H new ATOM 541 N GLU A 34 -2.332 14.737 -9.524 1.00 0.00 N ATOM 542 CA GLU A 34 -2.987 15.341 -10.671 1.00 0.00 C ATOM 543 C GLU A 34 -3.990 16.424 -10.264 1.00 0.00 C ATOM 544 O GLU A 34 -4.185 17.395 -10.995 1.00 0.00 O ATOM 545 CB GLU A 34 -3.704 14.215 -11.446 1.00 0.00 C ATOM 546 CG GLU A 34 -2.756 13.121 -11.958 1.00 0.00 C ATOM 547 CD GLU A 34 -1.484 13.661 -12.627 1.00 0.00 C ATOM 548 OE1 GLU A 34 -1.566 14.469 -13.583 1.00 0.00 O ATOM 549 OE2 GLU A 34 -0.380 13.242 -12.223 1.00 0.00 O ATOM 0 H GLU A 34 -2.988 14.249 -8.914 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.237 15.832 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -4.454 13.760 -10.799 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.235 14.649 -12.293 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -2.471 12.481 -11.123 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.292 12.495 -12.671 1.00 0.00 H new ATOM 556 N GLY A 35 -4.621 16.263 -9.097 1.00 0.00 N ATOM 557 CA GLY A 35 -5.517 17.244 -8.491 1.00 0.00 C ATOM 558 C GLY A 35 -6.989 16.909 -8.719 1.00 0.00 C ATOM 559 O GLY A 35 -7.851 17.749 -8.464 1.00 0.00 O ATOM 0 H GLY A 35 -4.517 15.419 -8.533 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.321 17.297 -7.420 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.304 18.230 -8.904 1.00 0.00 H new ATOM 563 N ILE A 36 -7.293 15.703 -9.217 1.00 0.00 N ATOM 564 CA ILE A 36 -8.633 15.354 -9.674 1.00 0.00 C ATOM 565 C ILE A 36 -9.310 14.533 -8.580 1.00 0.00 C ATOM 566 O ILE A 36 -8.754 13.504 -8.203 1.00 0.00 O ATOM 567 CB ILE A 36 -8.521 14.539 -10.970 1.00 0.00 C ATOM 568 CG1 ILE A 36 -7.716 15.312 -12.040 1.00 0.00 C ATOM 569 CG2 ILE A 36 -9.924 14.212 -11.510 1.00 0.00 C ATOM 570 CD1 ILE A 36 -7.406 14.437 -13.247 1.00 0.00 C ATOM 0 H ILE A 36 -6.614 14.947 -9.312 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.224 16.248 -9.874 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.995 13.611 -10.745 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -8.281 16.187 -12.360 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.785 15.675 -11.604 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.834 13.634 -12.430 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.473 13.632 -10.768 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.460 15.139 -11.715 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.839 15.013 -13.978 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.819 13.575 -12.930 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -8.338 14.095 -13.698 1.00 0.00 H new ATOM 582 N PRO A 37 -10.511 14.894 -8.113 1.00 0.00 N ATOM 583 CA PRO A 37 -11.212 14.138 -7.085 1.00 0.00 C ATOM 584 C PRO A 37 -11.689 12.784 -7.614 1.00 0.00 C ATOM 585 O PRO A 37 -12.047 12.682 -8.784 1.00 0.00 O ATOM 586 CB PRO A 37 -12.380 15.019 -6.643 1.00 0.00 C ATOM 587 CG PRO A 37 -12.540 16.102 -7.712 1.00 0.00 C ATOM 588 CD PRO A 37 -11.292 16.022 -8.587 1.00 0.00 C ATOM 0 HA PRO A 37 -10.557 13.906 -6.245 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.293 14.432 -6.547 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.182 15.464 -5.668 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -13.441 15.936 -8.303 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -12.634 17.088 -7.257 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.564 15.890 -9.634 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.715 16.945 -8.521 1.00 0.00 H new ATOM 596 N PRO A 38 -11.761 11.744 -6.767 1.00 0.00 N ATOM 597 CA PRO A 38 -12.027 10.386 -7.230 1.00 0.00 C ATOM 598 C PRO A 38 -13.386 10.198 -7.865 1.00 0.00 C ATOM 599 O PRO A 38 -13.500 9.415 -8.803 1.00 0.00 O ATOM 600 CB PRO A 38 -11.880 9.487 -6.010 1.00 0.00 C ATOM 601 CG PRO A 38 -12.007 10.416 -4.807 1.00 0.00 C ATOM 602 CD PRO A 38 -11.475 11.749 -5.333 1.00 0.00 C ATOM 0 HA PRO A 38 -11.322 10.141 -8.024 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -12.650 8.716 -5.995 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.917 8.976 -6.012 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -13.041 10.500 -4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.424 10.057 -3.959 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -11.963 12.589 -4.838 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.406 11.846 -5.146 1.00 0.00 H new ATOM 610 N ASP A 39 -14.401 10.922 -7.400 1.00 0.00 N ATOM 611 CA ASP A 39 -15.744 10.744 -7.946 1.00 0.00 C ATOM 612 C ASP A 39 -15.816 11.260 -9.381 1.00 0.00 C ATOM 613 O ASP A 39 -16.595 10.766 -10.194 1.00 0.00 O ATOM 614 CB ASP A 39 -16.780 11.455 -7.074 1.00 0.00 C ATOM 615 CG ASP A 39 -18.185 11.316 -7.685 1.00 0.00 C ATOM 616 OD1 ASP A 39 -18.719 10.181 -7.695 1.00 0.00 O ATOM 617 OD2 ASP A 39 -18.750 12.333 -8.160 1.00 0.00 O ATOM 0 H ASP A 39 -14.324 11.623 -6.663 1.00 0.00 H new ATOM 0 HA ASP A 39 -15.969 9.677 -7.951 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -16.770 11.032 -6.069 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -16.521 12.510 -6.978 1.00 0.00 H new ATOM 622 N GLN A 40 -14.933 12.205 -9.711 1.00 0.00 N ATOM 623 CA GLN A 40 -14.855 12.839 -11.029 1.00 0.00 C ATOM 624 C GLN A 40 -13.883 12.089 -11.947 1.00 0.00 C ATOM 625 O GLN A 40 -13.815 12.359 -13.142 1.00 0.00 O ATOM 626 CB GLN A 40 -14.468 14.310 -10.763 1.00 0.00 C ATOM 627 CG GLN A 40 -13.955 15.122 -11.958 1.00 0.00 C ATOM 628 CD GLN A 40 -13.993 16.628 -11.697 1.00 0.00 C ATOM 629 OE1 GLN A 40 -12.981 17.248 -11.382 1.00 0.00 O ATOM 630 NE2 GLN A 40 -15.160 17.245 -11.817 1.00 0.00 N ATOM 0 H GLN A 40 -14.237 12.559 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 40 -15.802 12.804 -11.568 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -15.340 14.821 -10.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.700 14.324 -9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.933 14.821 -12.187 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.559 14.893 -12.836 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.992 16.716 -12.079 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -15.226 18.249 -11.647 1.00 0.00 H new ATOM 639 N GLN A 41 -13.172 11.092 -11.438 1.00 0.00 N ATOM 640 CA GLN A 41 -12.057 10.447 -12.090 1.00 0.00 C ATOM 641 C GLN A 41 -12.454 9.011 -12.401 1.00 0.00 C ATOM 642 O GLN A 41 -13.091 8.380 -11.563 1.00 0.00 O ATOM 643 CB GLN A 41 -10.972 10.529 -11.009 1.00 0.00 C ATOM 644 CG GLN A 41 -9.555 10.230 -11.457 1.00 0.00 C ATOM 645 CD GLN A 41 -8.637 9.928 -10.286 1.00 0.00 C ATOM 646 OE1 GLN A 41 -8.025 8.876 -10.258 1.00 0.00 O ATOM 647 NE2 GLN A 41 -8.548 10.777 -9.273 1.00 0.00 N ATOM 0 H GLN A 41 -13.371 10.699 -10.518 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.734 10.886 -13.034 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -10.991 11.531 -10.580 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -11.232 9.835 -10.210 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.563 9.380 -12.139 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.164 11.082 -12.013 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -9.062 11.658 -9.299 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.966 10.550 -8.467 1.00 0.00 H new ATOM 656 N ARG A 42 -12.046 8.445 -13.540 1.00 0.00 N ATOM 657 CA ARG A 42 -12.221 6.999 -13.775 1.00 0.00 C ATOM 658 C ARG A 42 -10.867 6.356 -13.961 1.00 0.00 C ATOM 659 O ARG A 42 -9.908 7.025 -14.325 1.00 0.00 O ATOM 660 CB ARG A 42 -13.141 6.720 -14.985 1.00 0.00 C ATOM 661 CG ARG A 42 -14.438 6.008 -14.580 1.00 0.00 C ATOM 662 CD ARG A 42 -15.543 6.089 -15.653 1.00 0.00 C ATOM 663 NE ARG A 42 -16.807 5.471 -15.180 1.00 0.00 N ATOM 664 CZ ARG A 42 -17.921 5.279 -15.906 1.00 0.00 C ATOM 665 NH1 ARG A 42 -17.968 5.635 -17.183 1.00 0.00 N ATOM 666 NH2 ARG A 42 -19.000 4.751 -15.344 1.00 0.00 N ATOM 0 H ARG A 42 -11.599 8.951 -14.305 1.00 0.00 H new ATOM 0 HA ARG A 42 -12.710 6.563 -12.904 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -13.385 7.661 -15.478 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -12.606 6.109 -15.712 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -14.219 4.960 -14.373 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -14.809 6.445 -13.653 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -15.722 7.132 -15.914 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -15.208 5.586 -16.560 1.00 0.00 H new ATOM 0 HE ARG A 42 -16.832 5.162 -14.208 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -17.152 6.060 -17.624 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -18.820 5.484 -17.724 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -18.985 4.490 -14.358 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -19.844 4.606 -15.898 1.00 0.00 H new ATOM 680 N LEU A 43 -10.837 5.041 -13.783 1.00 0.00 N ATOM 681 CA LEU A 43 -9.633 4.244 -13.897 1.00 0.00 C ATOM 682 C LEU A 43 -9.933 3.110 -14.842 1.00 0.00 C ATOM 683 O LEU A 43 -10.921 2.407 -14.676 1.00 0.00 O ATOM 684 CB LEU A 43 -9.221 3.739 -12.498 1.00 0.00 C ATOM 685 CG LEU A 43 -7.758 4.030 -12.154 1.00 0.00 C ATOM 686 CD1 LEU A 43 -7.426 5.532 -12.169 1.00 0.00 C ATOM 687 CD2 LEU A 43 -7.488 3.513 -10.741 1.00 0.00 C ATOM 0 H LEU A 43 -11.666 4.494 -13.551 1.00 0.00 H new ATOM 0 HA LEU A 43 -8.797 4.824 -14.289 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -9.862 4.203 -11.749 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -9.393 2.664 -12.443 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.142 3.540 -12.908 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -6.375 5.675 -11.918 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.620 5.938 -13.162 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.047 6.049 -11.438 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -6.450 3.710 -10.474 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -8.147 4.020 -10.036 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -7.675 2.440 -10.704 1.00 0.00 H new ATOM 699 N ILE A 44 -9.080 2.947 -15.835 1.00 0.00 N ATOM 700 CA ILE A 44 -9.091 1.815 -16.761 1.00 0.00 C ATOM 701 C ILE A 44 -7.809 1.037 -16.574 1.00 0.00 C ATOM 702 O ILE A 44 -6.815 1.563 -16.085 1.00 0.00 O ATOM 703 CB ILE A 44 -9.337 2.317 -18.208 1.00 0.00 C ATOM 704 CG1 ILE A 44 -10.768 2.887 -18.251 1.00 0.00 C ATOM 705 CG2 ILE A 44 -9.227 1.269 -19.330 1.00 0.00 C ATOM 706 CD1 ILE A 44 -10.718 4.393 -18.350 1.00 0.00 C ATOM 0 H ILE A 44 -8.335 3.615 -16.031 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.912 1.129 -16.554 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.544 3.037 -18.408 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -11.307 2.475 -19.104 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -11.314 2.591 -17.355 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -9.420 1.744 -20.292 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -8.224 0.841 -19.331 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.958 0.478 -19.162 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -11.733 4.790 -18.380 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -10.196 4.797 -17.483 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -10.189 4.681 -19.259 1.00 0.00 H new ATOM 718 N PHE A 45 -7.837 -0.211 -17.010 1.00 0.00 N ATOM 719 CA PHE A 45 -6.679 -1.069 -17.066 1.00 0.00 C ATOM 720 C PHE A 45 -6.834 -1.936 -18.294 1.00 0.00 C ATOM 721 O PHE A 45 -7.871 -2.565 -18.441 1.00 0.00 O ATOM 722 CB PHE A 45 -6.700 -1.930 -15.807 1.00 0.00 C ATOM 723 CG PHE A 45 -5.657 -3.026 -15.788 1.00 0.00 C ATOM 724 CD1 PHE A 45 -4.305 -2.695 -15.969 1.00 0.00 C ATOM 725 CD2 PHE A 45 -6.033 -4.373 -15.632 1.00 0.00 C ATOM 726 CE1 PHE A 45 -3.323 -3.701 -15.961 1.00 0.00 C ATOM 727 CE2 PHE A 45 -5.051 -5.378 -15.598 1.00 0.00 C ATOM 728 CZ PHE A 45 -3.697 -5.043 -15.759 1.00 0.00 C ATOM 0 H PHE A 45 -8.690 -0.661 -17.342 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.742 -0.515 -17.119 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -6.552 -1.288 -14.939 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -7.687 -2.381 -15.705 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -4.018 -1.664 -16.115 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.077 -4.635 -15.538 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.284 -3.445 -16.109 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -5.338 -6.408 -15.448 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.942 -5.815 -15.728 1.00 0.00 H new ATOM 738 N ALA A 46 -5.846 -1.940 -19.184 1.00 0.00 N ATOM 739 CA ALA A 46 -5.739 -2.881 -20.301 1.00 0.00 C ATOM 740 C ALA A 46 -7.027 -3.077 -21.115 1.00 0.00 C ATOM 741 O ALA A 46 -7.361 -4.178 -21.562 1.00 0.00 O ATOM 742 CB ALA A 46 -5.176 -4.191 -19.753 1.00 0.00 C ATOM 0 H ALA A 46 -5.076 -1.272 -19.150 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.061 -2.453 -21.040 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.084 -4.915 -20.563 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -4.194 -4.010 -19.315 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -5.847 -4.584 -18.990 1.00 0.00 H new ATOM 748 N GLY A 47 -7.749 -1.972 -21.296 1.00 0.00 N ATOM 749 CA GLY A 47 -8.946 -1.908 -22.124 1.00 0.00 C ATOM 750 C GLY A 47 -10.226 -2.221 -21.346 1.00 0.00 C ATOM 751 O GLY A 47 -11.237 -2.526 -21.975 1.00 0.00 O ATOM 0 H GLY A 47 -7.511 -1.080 -20.861 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -9.027 -0.913 -22.561 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.848 -2.612 -22.951 1.00 0.00 H new ATOM 755 N LYS A 48 -10.223 -2.136 -20.007 1.00 0.00 N ATOM 756 CA LYS A 48 -11.426 -2.353 -19.193 1.00 0.00 C ATOM 757 C LYS A 48 -11.422 -1.461 -17.968 1.00 0.00 C ATOM 758 O LYS A 48 -10.386 -1.236 -17.362 1.00 0.00 O ATOM 759 CB LYS A 48 -11.608 -3.851 -18.875 1.00 0.00 C ATOM 760 CG LYS A 48 -10.628 -4.476 -17.867 1.00 0.00 C ATOM 761 CD LYS A 48 -10.809 -6.003 -17.821 1.00 0.00 C ATOM 762 CE LYS A 48 -9.699 -6.662 -16.982 1.00 0.00 C ATOM 763 NZ LYS A 48 -9.826 -8.147 -16.962 1.00 0.00 N ATOM 0 H LYS A 48 -9.390 -1.916 -19.461 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.305 -2.060 -19.768 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.620 -3.997 -18.498 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.533 -4.407 -19.809 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.603 -4.233 -18.148 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.796 -4.053 -16.876 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.783 -6.245 -17.397 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.793 -6.406 -18.834 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.725 -6.386 -17.387 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.740 -6.280 -15.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.061 -8.553 -16.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.745 -8.411 -16.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.762 -8.514 -17.933 1.00 0.00 H new ATOM 777 N GLN A 49 -12.551 -0.851 -17.660 1.00 0.00 N ATOM 778 CA GLN A 49 -12.715 0.047 -16.523 1.00 0.00 C ATOM 779 C GLN A 49 -12.638 -0.749 -15.219 1.00 0.00 C ATOM 780 O GLN A 49 -13.046 -1.911 -15.179 1.00 0.00 O ATOM 781 CB GLN A 49 -14.086 0.728 -16.663 1.00 0.00 C ATOM 782 CG GLN A 49 -14.226 2.041 -15.877 1.00 0.00 C ATOM 783 CD GLN A 49 -15.683 2.272 -15.487 1.00 0.00 C ATOM 784 OE1 GLN A 49 -16.527 2.546 -16.330 1.00 0.00 O ATOM 785 NE2 GLN A 49 -15.997 2.157 -14.206 1.00 0.00 N ATOM 0 H GLN A 49 -13.405 -0.967 -18.206 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.925 0.798 -16.503 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -14.272 0.929 -17.718 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -14.858 0.035 -16.329 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -13.604 2.005 -14.982 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -13.868 2.874 -16.481 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -15.275 1.928 -13.523 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -16.961 2.298 -13.902 1.00 0.00 H new ATOM 794 N LEU A 50 -12.169 -0.098 -14.150 1.00 0.00 N ATOM 795 CA LEU A 50 -12.230 -0.628 -12.791 1.00 0.00 C ATOM 796 C LEU A 50 -13.366 0.075 -12.047 1.00 0.00 C ATOM 797 O LEU A 50 -13.930 1.033 -12.576 1.00 0.00 O ATOM 798 CB LEU A 50 -10.881 -0.423 -12.073 1.00 0.00 C ATOM 799 CG LEU A 50 -9.594 -0.650 -12.889 1.00 0.00 C ATOM 800 CD1 LEU A 50 -8.374 -0.645 -11.969 1.00 0.00 C ATOM 801 CD2 LEU A 50 -9.607 -1.946 -13.707 1.00 0.00 C ATOM 0 H LEU A 50 -11.732 0.822 -14.208 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.425 -1.700 -12.815 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -10.858 0.596 -11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.854 -1.091 -11.212 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.540 0.175 -13.599 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.472 -0.807 -12.560 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.307 0.316 -11.459 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.472 -1.441 -11.231 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.670 -2.039 -14.256 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.722 -2.798 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.439 -1.924 -14.411 1.00 0.00 H new ATOM 813 N GLU A 51 -13.663 -0.315 -10.803 1.00 0.00 N ATOM 814 CA GLU A 51 -14.589 0.438 -9.953 1.00 0.00 C ATOM 815 C GLU A 51 -13.977 0.644 -8.572 1.00 0.00 C ATOM 816 O GLU A 51 -13.097 -0.104 -8.156 1.00 0.00 O ATOM 817 CB GLU A 51 -15.993 -0.199 -9.952 1.00 0.00 C ATOM 818 CG GLU A 51 -16.075 -1.549 -9.237 1.00 0.00 C ATOM 819 CD GLU A 51 -17.507 -2.108 -9.262 1.00 0.00 C ATOM 820 OE1 GLU A 51 -17.875 -2.828 -10.222 1.00 0.00 O ATOM 821 OE2 GLU A 51 -18.283 -1.840 -8.310 1.00 0.00 O ATOM 0 H GLU A 51 -13.275 -1.149 -10.363 1.00 0.00 H new ATOM 0 HA GLU A 51 -14.744 1.436 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -16.691 0.492 -9.479 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.321 -0.328 -10.984 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -15.397 -2.257 -9.714 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -15.744 -1.437 -8.205 1.00 0.00 H new ATOM 828 N ASP A 52 -14.437 1.677 -7.868 1.00 0.00 N ATOM 829 CA ASP A 52 -13.843 2.193 -6.631 1.00 0.00 C ATOM 830 C ASP A 52 -13.750 1.130 -5.547 1.00 0.00 C ATOM 831 O ASP A 52 -12.769 1.081 -4.802 1.00 0.00 O ATOM 832 CB ASP A 52 -14.662 3.393 -6.126 1.00 0.00 C ATOM 833 CG ASP A 52 -14.286 4.681 -6.854 1.00 0.00 C ATOM 834 OD1 ASP A 52 -13.091 5.037 -6.853 1.00 0.00 O ATOM 835 OD2 ASP A 52 -15.152 5.309 -7.502 1.00 0.00 O ATOM 0 H ASP A 52 -15.266 2.199 -8.153 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.825 2.507 -6.860 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -15.724 3.193 -6.266 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -14.500 3.520 -5.056 1.00 0.00 H new ATOM 840 N GLY A 53 -14.758 0.260 -5.485 1.00 0.00 N ATOM 841 CA GLY A 53 -14.901 -0.759 -4.460 1.00 0.00 C ATOM 842 C GLY A 53 -14.113 -2.035 -4.743 1.00 0.00 C ATOM 843 O GLY A 53 -14.397 -3.063 -4.133 1.00 0.00 O ATOM 0 H GLY A 53 -15.516 0.249 -6.168 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.576 -0.347 -3.504 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.956 -1.011 -4.356 1.00 0.00 H new ATOM 847 N ARG A 54 -13.171 -2.013 -5.690 1.00 0.00 N ATOM 848 CA ARG A 54 -12.355 -3.157 -6.093 1.00 0.00 C ATOM 849 C ARG A 54 -10.894 -2.839 -5.866 1.00 0.00 C ATOM 850 O ARG A 54 -10.575 -1.729 -5.458 1.00 0.00 O ATOM 851 CB ARG A 54 -12.675 -3.463 -7.558 1.00 0.00 C ATOM 852 CG ARG A 54 -14.098 -4.002 -7.788 1.00 0.00 C ATOM 853 CD ARG A 54 -14.324 -5.398 -7.208 1.00 0.00 C ATOM 854 NE ARG A 54 -14.625 -5.400 -5.768 1.00 0.00 N ATOM 855 CZ ARG A 54 -14.513 -6.437 -4.925 1.00 0.00 C ATOM 856 NH1 ARG A 54 -14.029 -7.610 -5.330 1.00 0.00 N ATOM 857 NH2 ARG A 54 -14.875 -6.283 -3.657 1.00 0.00 N ATOM 0 H ARG A 54 -12.949 -1.167 -6.215 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.577 -4.043 -5.499 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.542 -2.555 -8.146 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -11.956 -4.192 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.815 -3.312 -7.343 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.300 -4.025 -8.859 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.146 -5.875 -7.742 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.435 -6.003 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.953 -4.521 -5.369 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -13.735 -7.733 -6.299 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -13.953 -8.385 -4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.233 -5.384 -3.334 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -14.795 -7.064 -3.005 1.00 0.00 H new ATOM 871 N THR A 55 -9.995 -3.778 -6.128 1.00 0.00 N ATOM 872 CA THR A 55 -8.584 -3.634 -5.811 1.00 0.00 C ATOM 873 C THR A 55 -7.750 -3.998 -7.016 1.00 0.00 C ATOM 874 O THR A 55 -8.240 -4.587 -7.976 1.00 0.00 O ATOM 875 CB THR A 55 -8.225 -4.557 -4.645 1.00 0.00 C ATOM 876 OG1 THR A 55 -8.606 -5.878 -4.981 1.00 0.00 O ATOM 877 CG2 THR A 55 -8.871 -4.162 -3.327 1.00 0.00 C ATOM 0 H THR A 55 -10.228 -4.667 -6.570 1.00 0.00 H new ATOM 0 HA THR A 55 -8.382 -2.600 -5.533 1.00 0.00 H new ATOM 0 HB THR A 55 -7.149 -4.476 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.380 -6.481 -4.243 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.569 -4.863 -2.549 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.552 -3.156 -3.053 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.956 -4.183 -3.433 1.00 0.00 H new ATOM 885 N LEU A 56 -6.465 -3.678 -6.942 1.00 0.00 N ATOM 886 CA LEU A 56 -5.537 -4.029 -8.017 1.00 0.00 C ATOM 887 C LEU A 56 -5.543 -5.547 -8.255 1.00 0.00 C ATOM 888 O LEU A 56 -5.708 -5.998 -9.386 1.00 0.00 O ATOM 889 CB LEU A 56 -4.134 -3.463 -7.711 1.00 0.00 C ATOM 890 CG LEU A 56 -4.118 -1.960 -7.384 1.00 0.00 C ATOM 891 CD1 LEU A 56 -2.691 -1.459 -7.196 1.00 0.00 C ATOM 892 CD2 LEU A 56 -4.776 -1.143 -8.504 1.00 0.00 C ATOM 0 H LEU A 56 -6.041 -3.181 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.862 -3.571 -8.951 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -3.709 -4.011 -6.870 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.487 -3.644 -8.569 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.679 -1.829 -6.459 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.707 -0.394 -6.966 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.220 -2.001 -6.376 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.124 -1.624 -8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.750 -0.084 -8.245 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.235 -1.302 -9.437 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.811 -1.461 -8.627 1.00 0.00 H new ATOM 904 N SER A 57 -5.492 -6.325 -7.179 1.00 0.00 N ATOM 905 CA SER A 57 -5.587 -7.776 -7.192 1.00 0.00 C ATOM 906 C SER A 57 -6.907 -8.278 -7.768 1.00 0.00 C ATOM 907 O SER A 57 -6.906 -9.336 -8.397 1.00 0.00 O ATOM 908 CB SER A 57 -5.438 -8.306 -5.768 1.00 0.00 C ATOM 909 OG SER A 57 -4.078 -8.430 -5.427 1.00 0.00 O ATOM 0 H SER A 57 -5.379 -5.945 -6.239 1.00 0.00 H new ATOM 0 HA SER A 57 -4.786 -8.142 -7.835 1.00 0.00 H new ATOM 0 HB2 SER A 57 -5.934 -7.632 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.930 -9.275 -5.681 1.00 0.00 H new ATOM 0 HG SER A 57 -4.000 -8.769 -4.511 1.00 0.00 H new ATOM 915 N ASP A 58 -8.023 -7.552 -7.617 1.00 0.00 N ATOM 916 CA ASP A 58 -9.290 -7.982 -8.205 1.00 0.00 C ATOM 917 C ASP A 58 -9.171 -8.035 -9.729 1.00 0.00 C ATOM 918 O ASP A 58 -9.735 -8.919 -10.378 1.00 0.00 O ATOM 919 CB ASP A 58 -10.409 -7.029 -7.811 1.00 0.00 C ATOM 920 CG ASP A 58 -11.762 -7.594 -8.281 1.00 0.00 C ATOM 921 OD1 ASP A 58 -12.405 -8.317 -7.483 1.00 0.00 O ATOM 922 OD2 ASP A 58 -12.225 -7.273 -9.398 1.00 0.00 O ATOM 0 H ASP A 58 -8.071 -6.675 -7.098 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.525 -8.977 -7.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -10.418 -6.890 -6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -10.239 -6.049 -8.257 1.00 0.00 H new ATOM 927 N TYR A 59 -8.337 -7.143 -10.275 1.00 0.00 N ATOM 928 CA TYR A 59 -8.035 -7.035 -11.700 1.00 0.00 C ATOM 929 C TYR A 59 -6.721 -7.736 -12.069 1.00 0.00 C ATOM 930 O TYR A 59 -6.268 -7.654 -13.211 1.00 0.00 O ATOM 931 CB TYR A 59 -8.068 -5.556 -12.087 1.00 0.00 C ATOM 932 CG TYR A 59 -9.451 -4.966 -11.927 1.00 0.00 C ATOM 933 CD1 TYR A 59 -10.464 -5.310 -12.842 1.00 0.00 C ATOM 934 CD2 TYR A 59 -9.747 -4.131 -10.833 1.00 0.00 C ATOM 935 CE1 TYR A 59 -11.773 -4.833 -12.668 1.00 0.00 C ATOM 936 CE2 TYR A 59 -11.059 -3.684 -10.633 1.00 0.00 C ATOM 937 CZ TYR A 59 -12.084 -4.035 -11.541 1.00 0.00 C ATOM 938 OH TYR A 59 -13.346 -3.554 -11.343 1.00 0.00 O ATOM 0 H TYR A 59 -7.838 -6.453 -9.713 1.00 0.00 H new ATOM 0 HA TYR A 59 -8.792 -7.561 -12.281 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -7.362 -5.002 -11.468 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -7.742 -5.443 -13.121 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.233 -5.945 -13.684 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.964 -3.836 -10.150 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.539 -5.074 -13.390 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -11.290 -3.066 -9.778 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.946 -4.294 -11.113 1.00 0.00 H new ATOM 948 N ASN A 60 -6.131 -8.459 -11.112 1.00 0.00 N ATOM 949 CA ASN A 60 -4.895 -9.235 -11.219 1.00 0.00 C ATOM 950 C ASN A 60 -3.674 -8.392 -11.606 1.00 0.00 C ATOM 951 O ASN A 60 -2.661 -8.914 -12.076 1.00 0.00 O ATOM 952 CB ASN A 60 -5.102 -10.476 -12.104 1.00 0.00 C ATOM 953 CG ASN A 60 -4.360 -11.674 -11.524 1.00 0.00 C ATOM 954 OD1 ASN A 60 -3.342 -12.128 -12.040 1.00 0.00 O ATOM 955 ND2 ASN A 60 -4.865 -12.195 -10.414 1.00 0.00 N ATOM 0 H ASN A 60 -6.534 -8.521 -10.177 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.653 -9.597 -10.220 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.166 -10.702 -12.181 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.745 -10.274 -13.114 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.407 -12.991 -9.970 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.712 -11.800 -10.005 1.00 0.00 H new ATOM 962 N ILE A 61 -3.768 -7.076 -11.402 1.00 0.00 N ATOM 963 CA ILE A 61 -2.667 -6.128 -11.498 1.00 0.00 C ATOM 964 C ILE A 61 -1.673 -6.510 -10.392 1.00 0.00 C ATOM 965 O ILE A 61 -2.075 -6.874 -9.283 1.00 0.00 O ATOM 966 CB ILE A 61 -3.247 -4.715 -11.286 1.00 0.00 C ATOM 967 CG1 ILE A 61 -4.234 -4.315 -12.400 1.00 0.00 C ATOM 968 CG2 ILE A 61 -2.161 -3.629 -11.158 1.00 0.00 C ATOM 969 CD1 ILE A 61 -5.225 -3.249 -11.930 1.00 0.00 C ATOM 0 H ILE A 61 -4.651 -6.629 -11.156 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.161 -6.145 -12.463 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.784 -4.773 -10.339 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.678 -3.940 -13.260 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -4.781 -5.197 -12.734 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -2.633 -2.658 -11.011 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.520 -3.854 -10.305 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -1.560 -3.606 -12.067 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -5.902 -2.996 -12.746 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -5.800 -3.633 -11.087 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.680 -2.357 -11.621 1.00 0.00 H new ATOM 981 N GLN A 62 -0.382 -6.374 -10.684 1.00 0.00 N ATOM 982 CA GLN A 62 0.708 -6.613 -9.750 1.00 0.00 C ATOM 983 C GLN A 62 1.563 -5.340 -9.716 1.00 0.00 C ATOM 984 O GLN A 62 1.160 -4.295 -10.228 1.00 0.00 O ATOM 985 CB GLN A 62 1.502 -7.862 -10.201 1.00 0.00 C ATOM 986 CG GLN A 62 0.624 -9.116 -10.329 1.00 0.00 C ATOM 987 CD GLN A 62 1.415 -10.335 -10.814 1.00 0.00 C ATOM 988 OE1 GLN A 62 2.435 -10.714 -10.238 1.00 0.00 O ATOM 989 NE2 GLN A 62 0.971 -10.982 -11.884 1.00 0.00 N ATOM 0 H GLN A 62 -0.059 -6.085 -11.607 1.00 0.00 H new ATOM 0 HA GLN A 62 0.352 -6.820 -8.741 1.00 0.00 H new ATOM 0 HB2 GLN A 62 1.976 -7.657 -11.161 1.00 0.00 H new ATOM 0 HB3 GLN A 62 2.301 -8.056 -9.486 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.172 -9.340 -9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -0.192 -8.916 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 62 0.125 -10.664 -12.358 1.00 0.00 H new ATOM 0 HE22 GLN A 62 1.475 -11.797 -12.233 1.00 0.00 H new ATOM 998 N LYS A 63 2.738 -5.391 -9.092 1.00 0.00 N ATOM 999 CA LYS A 63 3.695 -4.296 -9.122 1.00 0.00 C ATOM 1000 C LYS A 63 4.163 -4.013 -10.537 1.00 0.00 C ATOM 1001 O LYS A 63 4.002 -4.831 -11.442 1.00 0.00 O ATOM 1002 CB LYS A 63 4.882 -4.617 -8.202 1.00 0.00 C ATOM 1003 CG LYS A 63 5.877 -5.664 -8.710 1.00 0.00 C ATOM 1004 CD LYS A 63 6.805 -6.019 -7.537 1.00 0.00 C ATOM 1005 CE LYS A 63 7.920 -6.999 -7.907 1.00 0.00 C ATOM 1006 NZ LYS A 63 9.075 -6.362 -8.591 1.00 0.00 N ATOM 0 H LYS A 63 3.051 -6.197 -8.551 1.00 0.00 H new ATOM 0 HA LYS A 63 3.202 -3.394 -8.758 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.427 -3.692 -8.013 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.489 -4.957 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.353 -6.550 -9.068 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.451 -5.273 -9.550 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.252 -5.104 -7.150 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.209 -6.448 -6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 63 8.273 -7.492 -7.001 1.00 0.00 H new ATOM 0 HE3 LYS A 63 7.510 -7.775 -8.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 9.759 -7.094 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 8.742 -5.857 -9.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 9.534 -5.689 -7.944 1.00 0.00 H new ATOM 1020 N GLU A 64 4.787 -2.844 -10.653 1.00 0.00 N ATOM 1021 CA GLU A 64 5.370 -2.284 -11.853 1.00 0.00 C ATOM 1022 C GLU A 64 4.461 -2.536 -13.063 1.00 0.00 C ATOM 1023 O GLU A 64 4.888 -2.983 -14.130 1.00 0.00 O ATOM 1024 CB GLU A 64 6.864 -2.666 -11.958 1.00 0.00 C ATOM 1025 CG GLU A 64 7.205 -4.088 -12.417 1.00 0.00 C ATOM 1026 CD GLU A 64 8.663 -4.447 -12.084 1.00 0.00 C ATOM 1027 OE1 GLU A 64 9.576 -4.114 -12.880 1.00 0.00 O ATOM 1028 OE2 GLU A 64 8.902 -5.080 -11.026 1.00 0.00 O ATOM 0 H GLU A 64 4.903 -2.225 -9.850 1.00 0.00 H new ATOM 0 HA GLU A 64 5.409 -1.195 -11.816 1.00 0.00 H new ATOM 0 HB2 GLU A 64 7.341 -1.968 -12.646 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.319 -2.511 -10.980 1.00 0.00 H new ATOM 0 HG2 GLU A 64 6.534 -4.799 -11.935 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.043 -4.175 -13.491 1.00 0.00 H new ATOM 1035 N SER A 65 3.167 -2.266 -12.849 1.00 0.00 N ATOM 1036 CA SER A 65 2.121 -2.516 -13.841 1.00 0.00 C ATOM 1037 C SER A 65 1.442 -1.195 -14.166 1.00 0.00 C ATOM 1038 O SER A 65 1.414 -0.293 -13.331 1.00 0.00 O ATOM 1039 CB SER A 65 1.125 -3.563 -13.329 1.00 0.00 C ATOM 1040 OG SER A 65 1.742 -4.832 -13.175 1.00 0.00 O ATOM 0 H SER A 65 2.818 -1.866 -11.978 1.00 0.00 H new ATOM 0 HA SER A 65 2.557 -2.924 -14.753 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.713 -3.239 -12.374 1.00 0.00 H new ATOM 0 HB3 SER A 65 0.290 -3.645 -14.025 1.00 0.00 H new ATOM 0 HG SER A 65 2.508 -4.752 -12.570 1.00 0.00 H new ATOM 1046 N THR A 66 0.895 -1.080 -15.368 1.00 0.00 N ATOM 1047 CA THR A 66 0.402 0.181 -15.909 1.00 0.00 C ATOM 1048 C THR A 66 -1.123 0.202 -15.861 1.00 0.00 C ATOM 1049 O THR A 66 -1.775 -0.812 -16.069 1.00 0.00 O ATOM 1050 CB THR A 66 0.944 0.409 -17.340 1.00 0.00 C ATOM 1051 OG1 THR A 66 2.338 0.153 -17.356 1.00 0.00 O ATOM 1052 CG2 THR A 66 0.706 1.826 -17.890 1.00 0.00 C ATOM 0 H THR A 66 0.779 -1.869 -16.004 1.00 0.00 H new ATOM 0 HA THR A 66 0.766 1.006 -15.297 1.00 0.00 H new ATOM 0 HB THR A 66 0.391 -0.276 -17.983 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.686 0.295 -18.261 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.117 1.899 -18.897 1.00 0.00 H new ATOM 0 HG22 THR A 66 -0.364 2.030 -17.919 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.197 2.554 -17.244 1.00 0.00 H new ATOM 1060 N LEU A 67 -1.673 1.385 -15.607 1.00 0.00 N ATOM 1061 CA LEU A 67 -3.081 1.710 -15.469 1.00 0.00 C ATOM 1062 C LEU A 67 -3.410 2.896 -16.370 1.00 0.00 C ATOM 1063 O LEU A 67 -2.490 3.501 -16.906 1.00 0.00 O ATOM 1064 CB LEU A 67 -3.302 2.065 -13.986 1.00 0.00 C ATOM 1065 CG LEU A 67 -4.477 1.359 -13.335 1.00 0.00 C ATOM 1066 CD1 LEU A 67 -4.184 -0.130 -13.200 1.00 0.00 C ATOM 1067 CD2 LEU A 67 -4.689 1.947 -11.943 1.00 0.00 C ATOM 0 H LEU A 67 -1.089 2.212 -15.482 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.726 0.882 -15.761 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.396 1.824 -13.429 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.450 3.142 -13.902 1.00 0.00 H new ATOM 0 HG LEU A 67 -5.367 1.495 -13.950 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -5.034 -0.627 -12.732 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.012 -0.558 -14.188 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.296 -0.272 -12.584 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -5.531 1.449 -11.462 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.790 1.799 -11.345 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -4.898 3.014 -12.026 1.00 0.00 H new ATOM 1079 N HIS A 68 -4.678 3.292 -16.486 1.00 0.00 N ATOM 1080 CA HIS A 68 -5.091 4.444 -17.296 1.00 0.00 C ATOM 1081 C HIS A 68 -5.947 5.370 -16.426 1.00 0.00 C ATOM 1082 O HIS A 68 -6.840 4.870 -15.745 1.00 0.00 O ATOM 1083 CB HIS A 68 -5.912 3.942 -18.496 1.00 0.00 C ATOM 1084 CG HIS A 68 -5.139 3.662 -19.757 1.00 0.00 C ATOM 1085 ND1 HIS A 68 -4.222 2.653 -19.981 1.00 0.00 N ATOM 1086 CD2 HIS A 68 -5.342 4.292 -20.953 1.00 0.00 C ATOM 1087 CE1 HIS A 68 -3.893 2.676 -21.289 1.00 0.00 C ATOM 1088 NE2 HIS A 68 -4.543 3.673 -21.912 1.00 0.00 N ATOM 0 H HIS A 68 -5.453 2.822 -16.019 1.00 0.00 H new ATOM 0 HA HIS A 68 -4.220 4.988 -17.661 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -6.428 3.029 -18.200 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -6.679 4.683 -18.721 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -3.858 2.006 -19.282 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -6.007 5.126 -21.125 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -3.207 1.992 -21.766 1.00 0.00 H new ATOM 1095 N LEU A 69 -5.754 6.698 -16.468 1.00 0.00 N ATOM 1096 CA LEU A 69 -6.596 7.666 -15.765 1.00 0.00 C ATOM 1097 C LEU A 69 -7.403 8.375 -16.815 1.00 0.00 C ATOM 1098 O LEU A 69 -6.815 8.835 -17.789 1.00 0.00 O ATOM 1099 CB LEU A 69 -5.642 8.677 -15.094 1.00 0.00 C ATOM 1100 CG LEU A 69 -6.144 10.001 -14.508 1.00 0.00 C ATOM 1101 CD1 LEU A 69 -6.490 11.100 -15.519 1.00 0.00 C ATOM 1102 CD2 LEU A 69 -7.307 9.784 -13.566 1.00 0.00 C ATOM 0 H LEU A 69 -4.998 7.130 -16.999 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.249 7.203 -15.025 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.139 8.146 -14.286 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.881 8.929 -15.832 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.278 10.378 -13.964 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -6.833 11.988 -14.988 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.605 11.347 -16.105 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.278 10.748 -16.184 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -7.638 10.744 -13.169 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -8.128 9.312 -14.105 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.994 9.140 -12.744 1.00 0.00 H new ATOM 1114 N VAL A 70 -8.699 8.537 -16.581 1.00 0.00 N ATOM 1115 CA VAL A 70 -9.542 9.397 -17.410 1.00 0.00 C ATOM 1116 C VAL A 70 -10.328 10.329 -16.506 1.00 0.00 C ATOM 1117 O VAL A 70 -10.481 10.084 -15.314 1.00 0.00 O ATOM 1118 CB VAL A 70 -10.460 8.570 -18.333 1.00 0.00 C ATOM 1119 CG1 VAL A 70 -9.694 7.455 -19.028 1.00 0.00 C ATOM 1120 CG2 VAL A 70 -11.646 7.901 -17.633 1.00 0.00 C ATOM 0 H VAL A 70 -9.196 8.080 -15.816 1.00 0.00 H new ATOM 0 HA VAL A 70 -8.914 9.995 -18.071 1.00 0.00 H new ATOM 0 HB VAL A 70 -10.840 9.313 -19.035 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -10.372 6.893 -19.670 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.895 7.884 -19.632 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.265 6.787 -18.281 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -12.232 7.343 -18.363 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -11.278 7.219 -16.866 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -12.273 8.663 -17.171 1.00 0.00 H new ATOM 1130 N LEU A 71 -10.908 11.346 -17.118 1.00 0.00 N ATOM 1131 CA LEU A 71 -11.819 12.267 -16.482 1.00 0.00 C ATOM 1132 C LEU A 71 -13.203 11.812 -16.892 1.00 0.00 C ATOM 1133 O LEU A 71 -13.493 11.716 -18.079 1.00 0.00 O ATOM 1134 CB LEU A 71 -11.533 13.657 -17.061 1.00 0.00 C ATOM 1135 CG LEU A 71 -12.088 14.894 -16.351 1.00 0.00 C ATOM 1136 CD1 LEU A 71 -13.434 15.285 -16.970 1.00 0.00 C ATOM 1137 CD2 LEU A 71 -12.214 14.746 -14.836 1.00 0.00 C ATOM 0 H LEU A 71 -10.749 11.556 -18.103 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.723 12.299 -15.397 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.451 13.771 -17.119 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.910 13.670 -18.084 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.357 15.688 -16.502 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -13.826 16.166 -16.462 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -13.297 15.507 -18.028 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -14.138 14.460 -16.861 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.615 15.667 -14.413 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -12.885 13.919 -14.606 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -11.232 14.546 -14.407 1.00 0.00 H new ATOM 1149 N ARG A 72 -14.075 11.594 -15.925 1.00 0.00 N ATOM 1150 CA ARG A 72 -15.462 11.188 -16.151 1.00 0.00 C ATOM 1151 C ARG A 72 -16.454 12.185 -15.594 1.00 0.00 C ATOM 1152 O ARG A 72 -17.599 11.828 -15.375 1.00 0.00 O ATOM 1153 CB ARG A 72 -15.699 9.757 -15.647 1.00 0.00 C ATOM 1154 CG ARG A 72 -15.833 9.592 -14.112 1.00 0.00 C ATOM 1155 CD ARG A 72 -17.238 9.097 -13.728 1.00 0.00 C ATOM 1156 NE ARG A 72 -17.419 9.028 -12.267 1.00 0.00 N ATOM 1157 CZ ARG A 72 -18.312 8.278 -11.599 1.00 0.00 C ATOM 1158 NH1 ARG A 72 -19.146 7.465 -12.240 1.00 0.00 N ATOM 1159 NH2 ARG A 72 -18.363 8.365 -10.277 1.00 0.00 N ATOM 0 H ARG A 72 -13.840 11.695 -14.938 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.637 11.182 -17.227 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -16.606 9.374 -16.114 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.875 9.131 -15.989 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -15.085 8.886 -13.752 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.633 10.545 -13.622 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.987 9.764 -14.155 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.406 8.111 -14.161 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.801 9.611 -11.703 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.115 7.402 -13.258 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.816 6.904 -11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.730 8.994 -9.783 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -19.035 7.803 -9.754 1.00 0.00 H new ATOM 1331 N ILE B 683 -5.651 15.223 -21.756 1.00 0.00 N ATOM 1332 CA ILE B 683 -6.151 14.181 -22.614 1.00 0.00 C ATOM 1333 C ILE B 683 -5.466 14.340 -23.986 1.00 0.00 C ATOM 1334 O ILE B 683 -5.281 15.463 -24.468 1.00 0.00 O ATOM 1335 CB ILE B 683 -7.686 14.313 -22.686 1.00 0.00 C ATOM 1336 CG1 ILE B 683 -8.471 14.748 -21.408 1.00 0.00 C ATOM 1337 CG2 ILE B 683 -8.215 12.964 -23.122 1.00 0.00 C ATOM 1338 CD1 ILE B 683 -8.586 13.778 -20.221 1.00 0.00 C ATOM 0 HA ILE B 683 -5.928 13.181 -22.241 1.00 0.00 H new ATOM 0 HB ILE B 683 -7.856 15.143 -23.372 1.00 0.00 H new ATOM 0 HG12 ILE B 683 -8.010 15.663 -21.038 1.00 0.00 H new ATOM 0 HG13 ILE B 683 -9.484 15.005 -21.719 1.00 0.00 H new ATOM 0 HG21 ILE B 683 -9.302 13.004 -23.189 1.00 0.00 H new ATOM 0 HG22 ILE B 683 -7.801 12.709 -24.097 1.00 0.00 H new ATOM 0 HG23 ILE B 683 -7.924 12.206 -22.394 1.00 0.00 H new ATOM 0 HD11 ILE B 683 -9.163 14.246 -19.424 1.00 0.00 H new ATOM 0 HD12 ILE B 683 -9.087 12.865 -20.544 1.00 0.00 H new ATOM 0 HD13 ILE B 683 -7.590 13.534 -19.852 1.00 0.00 H new ATOM 1350 N ASP B 684 -5.070 13.225 -24.608 1.00 0.00 N ATOM 1351 CA ASP B 684 -4.319 13.137 -25.867 1.00 0.00 C ATOM 1352 C ASP B 684 -4.788 11.895 -26.637 1.00 0.00 C ATOM 1353 O ASP B 684 -4.955 10.842 -26.011 1.00 0.00 O ATOM 1354 CB ASP B 684 -2.809 13.003 -25.600 1.00 0.00 C ATOM 1355 CG ASP B 684 -2.026 12.773 -26.906 1.00 0.00 C ATOM 1356 OD1 ASP B 684 -1.899 11.603 -27.346 1.00 0.00 O ATOM 1357 OD2 ASP B 684 -1.537 13.771 -27.492 1.00 0.00 O ATOM 0 H ASP B 684 -5.277 12.303 -24.224 1.00 0.00 H new ATOM 0 HA ASP B 684 -4.497 14.046 -26.442 1.00 0.00 H new ATOM 0 HB2 ASP B 684 -2.443 13.905 -25.109 1.00 0.00 H new ATOM 0 HB3 ASP B 684 -2.631 12.173 -24.916 1.00 0.00 H new ATOM 1362 N PRO B 685 -5.007 11.979 -27.963 1.00 0.00 N ATOM 1363 CA PRO B 685 -5.500 10.892 -28.800 1.00 0.00 C ATOM 1364 C PRO B 685 -4.899 9.511 -28.559 1.00 0.00 C ATOM 1365 O PRO B 685 -5.659 8.548 -28.556 1.00 0.00 O ATOM 1366 CB PRO B 685 -5.245 11.342 -30.240 1.00 0.00 C ATOM 1367 CG PRO B 685 -5.454 12.848 -30.151 1.00 0.00 C ATOM 1368 CD PRO B 685 -4.891 13.190 -28.776 1.00 0.00 C ATOM 0 HA PRO B 685 -6.551 10.735 -28.556 1.00 0.00 H new ATOM 0 HB2 PRO B 685 -4.238 11.090 -30.573 1.00 0.00 H new ATOM 0 HB3 PRO B 685 -5.938 10.876 -30.941 1.00 0.00 H new ATOM 0 HG2 PRO B 685 -4.928 13.376 -30.946 1.00 0.00 H new ATOM 0 HG3 PRO B 685 -6.507 13.115 -30.234 1.00 0.00 H new ATOM 0 HD2 PRO B 685 -3.851 13.508 -28.851 1.00 0.00 H new ATOM 0 HD3 PRO B 685 -5.444 14.014 -28.325 1.00 0.00 H new ATOM 1376 N GLN B 686 -3.585 9.361 -28.360 1.00 0.00 N ATOM 1377 CA GLN B 686 -2.985 8.030 -28.354 1.00 0.00 C ATOM 1378 C GLN B 686 -3.480 7.226 -27.147 1.00 0.00 C ATOM 1379 O GLN B 686 -4.004 6.123 -27.307 1.00 0.00 O ATOM 1380 CB GLN B 686 -1.453 8.145 -28.391 1.00 0.00 C ATOM 1381 CG GLN B 686 -0.739 6.788 -28.505 1.00 0.00 C ATOM 1382 CD GLN B 686 -1.151 5.980 -29.741 1.00 0.00 C ATOM 1383 OE1 GLN B 686 -1.182 6.492 -30.859 1.00 0.00 O ATOM 1384 NE2 GLN B 686 -1.490 4.706 -29.579 1.00 0.00 N ATOM 0 H GLN B 686 -2.932 10.129 -28.204 1.00 0.00 H new ATOM 0 HA GLN B 686 -3.294 7.487 -29.247 1.00 0.00 H new ATOM 0 HB2 GLN B 686 -1.164 8.771 -29.235 1.00 0.00 H new ATOM 0 HB3 GLN B 686 -1.113 8.651 -27.488 1.00 0.00 H new ATOM 0 HG2 GLN B 686 0.338 6.955 -28.532 1.00 0.00 H new ATOM 0 HG3 GLN B 686 -0.948 6.201 -27.611 1.00 0.00 H new ATOM 0 HE21 GLN B 686 -1.463 4.285 -28.650 1.00 0.00 H new ATOM 0 HE22 GLN B 686 -1.777 4.148 -30.383 1.00 0.00 H new ATOM 1393 N VAL B 687 -3.348 7.777 -25.938 1.00 0.00 N ATOM 1394 CA VAL B 687 -3.817 7.097 -24.729 1.00 0.00 C ATOM 1395 C VAL B 687 -5.333 6.974 -24.777 1.00 0.00 C ATOM 1396 O VAL B 687 -5.921 5.985 -24.344 1.00 0.00 O ATOM 1397 CB VAL B 687 -3.458 7.901 -23.470 1.00 0.00 C ATOM 1398 CG1 VAL B 687 -3.606 7.006 -22.240 1.00 0.00 C ATOM 1399 CG2 VAL B 687 -2.072 8.542 -23.529 1.00 0.00 C ATOM 0 H VAL B 687 -2.922 8.689 -25.771 1.00 0.00 H new ATOM 0 HA VAL B 687 -3.340 6.118 -24.688 1.00 0.00 H new ATOM 0 HB VAL B 687 -4.156 8.736 -23.405 1.00 0.00 H new ATOM 0 HG11 VAL B 687 -3.352 7.573 -21.345 1.00 0.00 H new ATOM 0 HG12 VAL B 687 -4.635 6.655 -22.167 1.00 0.00 H new ATOM 0 HG13 VAL B 687 -2.936 6.151 -22.330 1.00 0.00 H new ATOM 0 HG21 VAL B 687 -1.887 9.093 -22.607 1.00 0.00 H new ATOM 0 HG22 VAL B 687 -1.316 7.765 -23.645 1.00 0.00 H new ATOM 0 HG23 VAL B 687 -2.023 9.226 -24.377 1.00 0.00 H new ATOM 1409 N PHE B 688 -5.975 8.021 -25.272 1.00 0.00 N ATOM 1410 CA PHE B 688 -7.408 8.107 -25.308 1.00 0.00 C ATOM 1411 C PHE B 688 -7.981 6.989 -26.195 1.00 0.00 C ATOM 1412 O PHE B 688 -8.965 6.369 -25.806 1.00 0.00 O ATOM 1413 CB PHE B 688 -7.717 9.531 -25.725 1.00 0.00 C ATOM 1414 CG PHE B 688 -9.187 9.878 -25.931 1.00 0.00 C ATOM 1415 CD1 PHE B 688 -10.191 9.361 -25.081 1.00 0.00 C ATOM 1416 CD2 PHE B 688 -9.563 10.666 -27.039 1.00 0.00 C ATOM 1417 CE1 PHE B 688 -11.548 9.617 -25.345 1.00 0.00 C ATOM 1418 CE2 PHE B 688 -10.921 10.917 -27.303 1.00 0.00 C ATOM 1419 CZ PHE B 688 -11.913 10.384 -26.465 1.00 0.00 C ATOM 0 H PHE B 688 -5.502 8.837 -25.661 1.00 0.00 H new ATOM 0 HA PHE B 688 -7.896 7.930 -24.350 1.00 0.00 H new ATOM 0 HB2 PHE B 688 -7.311 10.203 -24.969 1.00 0.00 H new ATOM 0 HB3 PHE B 688 -7.185 9.737 -26.654 1.00 0.00 H new ATOM 0 HD1 PHE B 688 -9.914 8.766 -24.223 1.00 0.00 H new ATOM 0 HD2 PHE B 688 -8.804 11.078 -27.688 1.00 0.00 H new ATOM 0 HE1 PHE B 688 -12.310 9.225 -24.688 1.00 0.00 H new ATOM 0 HE2 PHE B 688 -11.202 11.522 -28.153 1.00 0.00 H new ATOM 0 HZ PHE B 688 -12.956 10.563 -26.681 1.00 0.00 H new ATOM 1429 N TYR B 689 -7.318 6.655 -27.308 1.00 0.00 N ATOM 1430 CA TYR B 689 -7.656 5.525 -28.162 1.00 0.00 C ATOM 1431 C TYR B 689 -7.287 4.174 -27.524 1.00 0.00 C ATOM 1432 O TYR B 689 -7.923 3.161 -27.824 1.00 0.00 O ATOM 1433 CB TYR B 689 -6.936 5.695 -29.507 1.00 0.00 C ATOM 1434 CG TYR B 689 -7.510 4.854 -30.629 1.00 0.00 C ATOM 1435 CD1 TYR B 689 -8.595 5.353 -31.374 1.00 0.00 C ATOM 1436 CD2 TYR B 689 -6.969 3.591 -30.936 1.00 0.00 C ATOM 1437 CE1 TYR B 689 -9.149 4.593 -32.417 1.00 0.00 C ATOM 1438 CE2 TYR B 689 -7.517 2.823 -31.980 1.00 0.00 C ATOM 1439 CZ TYR B 689 -8.612 3.320 -32.726 1.00 0.00 C ATOM 1440 OH TYR B 689 -9.136 2.566 -33.736 1.00 0.00 O ATOM 0 H TYR B 689 -6.511 7.181 -27.643 1.00 0.00 H new ATOM 0 HA TYR B 689 -8.736 5.515 -28.305 1.00 0.00 H new ATOM 0 HB2 TYR B 689 -6.976 6.745 -29.798 1.00 0.00 H new ATOM 0 HB3 TYR B 689 -5.884 5.440 -29.378 1.00 0.00 H new ATOM 0 HD1 TYR B 689 -9.004 6.325 -31.142 1.00 0.00 H new ATOM 0 HD2 TYR B 689 -6.132 3.211 -30.369 1.00 0.00 H new ATOM 0 HE1 TYR B 689 -9.984 4.979 -32.983 1.00 0.00 H new ATOM 0 HE2 TYR B 689 -7.102 1.853 -32.212 1.00 0.00 H new ATOM 0 HH TYR B 689 -8.641 1.723 -33.806 1.00 0.00 H new ATOM 1450 N GLU B 690 -6.256 4.132 -26.668 1.00 0.00 N ATOM 1451 CA GLU B 690 -5.792 2.920 -25.990 1.00 0.00 C ATOM 1452 C GLU B 690 -6.857 2.334 -25.043 1.00 0.00 C ATOM 1453 O GLU B 690 -7.005 1.111 -24.957 1.00 0.00 O ATOM 1454 CB GLU B 690 -4.481 3.235 -25.263 1.00 0.00 C ATOM 1455 CG GLU B 690 -3.657 1.995 -24.896 1.00 0.00 C ATOM 1456 CD GLU B 690 -3.087 1.297 -26.145 1.00 0.00 C ATOM 1457 OE1 GLU B 690 -2.074 1.787 -26.707 1.00 0.00 O ATOM 1458 OE2 GLU B 690 -3.637 0.252 -26.571 1.00 0.00 O ATOM 0 H GLU B 690 -5.712 4.960 -26.425 1.00 0.00 H new ATOM 0 HA GLU B 690 -5.611 2.144 -26.734 1.00 0.00 H new ATOM 0 HB2 GLU B 690 -3.876 3.887 -25.893 1.00 0.00 H new ATOM 0 HB3 GLU B 690 -4.707 3.791 -24.353 1.00 0.00 H new ATOM 0 HG2 GLU B 690 -2.839 2.284 -24.236 1.00 0.00 H new ATOM 0 HG3 GLU B 690 -4.281 1.295 -24.341 1.00 0.00 H new ATOM 1465 N LEU B 691 -7.617 3.188 -24.343 1.00 0.00 N ATOM 1466 CA LEU B 691 -8.745 2.770 -23.494 1.00 0.00 C ATOM 1467 C LEU B 691 -9.944 2.341 -24.380 1.00 0.00 C ATOM 1468 O LEU B 691 -9.981 2.698 -25.555 1.00 0.00 O ATOM 1469 CB LEU B 691 -9.046 3.905 -22.499 1.00 0.00 C ATOM 1470 CG LEU B 691 -10.050 4.966 -22.972 1.00 0.00 C ATOM 1471 CD1 LEU B 691 -11.429 4.791 -22.338 1.00 0.00 C ATOM 1472 CD2 LEU B 691 -9.534 6.319 -22.521 1.00 0.00 C ATOM 0 H LEU B 691 -7.466 4.197 -24.349 1.00 0.00 H new ATOM 0 HA LEU B 691 -8.505 1.888 -22.900 1.00 0.00 H new ATOM 0 HB2 LEU B 691 -9.423 3.463 -21.577 1.00 0.00 H new ATOM 0 HB3 LEU B 691 -8.109 4.404 -22.253 1.00 0.00 H new ATOM 0 HG LEU B 691 -10.147 4.874 -24.054 1.00 0.00 H new ATOM 0 HD11 LEU B 691 -12.100 5.567 -22.707 1.00 0.00 H new ATOM 0 HD12 LEU B 691 -11.828 3.811 -22.600 1.00 0.00 H new ATOM 0 HD13 LEU B 691 -11.344 4.870 -21.254 1.00 0.00 H new ATOM 0 HD21 LEU B 691 -10.226 7.098 -22.842 1.00 0.00 H new ATOM 0 HD22 LEU B 691 -9.451 6.333 -21.434 1.00 0.00 H new ATOM 0 HD23 LEU B 691 -8.554 6.500 -22.962 1.00 0.00 H new ATOM 1484 N PRO B 692 -10.958 1.609 -23.873 1.00 0.00 N ATOM 1485 CA PRO B 692 -12.015 1.034 -24.712 1.00 0.00 C ATOM 1486 C PRO B 692 -12.909 2.103 -25.343 1.00 0.00 C ATOM 1487 O PRO B 692 -13.240 3.103 -24.703 1.00 0.00 O ATOM 1488 CB PRO B 692 -12.836 0.147 -23.769 1.00 0.00 C ATOM 1489 CG PRO B 692 -12.679 0.899 -22.450 1.00 0.00 C ATOM 1490 CD PRO B 692 -11.206 1.274 -22.481 1.00 0.00 C ATOM 0 HA PRO B 692 -11.584 0.482 -25.547 1.00 0.00 H new ATOM 0 HB2 PRO B 692 -13.878 0.071 -24.078 1.00 0.00 H new ATOM 0 HB3 PRO B 692 -12.445 -0.869 -23.714 1.00 0.00 H new ATOM 0 HG2 PRO B 692 -13.324 1.777 -22.400 1.00 0.00 H new ATOM 0 HG3 PRO B 692 -12.924 0.274 -21.591 1.00 0.00 H new ATOM 0 HD2 PRO B 692 -10.995 2.118 -21.824 1.00 0.00 H new ATOM 0 HD3 PRO B 692 -10.577 0.447 -22.151 1.00 0.00 H new ATOM 1498 N GLU B 693 -13.410 1.838 -26.547 1.00 0.00 N ATOM 1499 CA GLU B 693 -14.271 2.742 -27.310 1.00 0.00 C ATOM 1500 C GLU B 693 -15.531 3.119 -26.522 1.00 0.00 C ATOM 1501 O GLU B 693 -16.016 4.240 -26.631 1.00 0.00 O ATOM 1502 CB GLU B 693 -14.604 2.039 -28.637 1.00 0.00 C ATOM 1503 CG GLU B 693 -15.357 2.910 -29.652 1.00 0.00 C ATOM 1504 CD GLU B 693 -14.568 4.143 -30.145 1.00 0.00 C ATOM 1505 OE1 GLU B 693 -13.331 4.069 -30.334 1.00 0.00 O ATOM 1506 OE2 GLU B 693 -15.216 5.192 -30.387 1.00 0.00 O ATOM 0 H GLU B 693 -13.223 0.962 -27.035 1.00 0.00 H new ATOM 0 HA GLU B 693 -13.760 3.684 -27.506 1.00 0.00 H new ATOM 0 HB2 GLU B 693 -13.676 1.694 -29.093 1.00 0.00 H new ATOM 0 HB3 GLU B 693 -15.203 1.154 -28.423 1.00 0.00 H new ATOM 0 HG2 GLU B 693 -15.623 2.296 -30.513 1.00 0.00 H new ATOM 0 HG3 GLU B 693 -16.290 3.248 -29.201 1.00 0.00 H new ATOM 1513 N ALA B 694 -16.044 2.215 -25.686 1.00 0.00 N ATOM 1514 CA ALA B 694 -17.259 2.437 -24.905 1.00 0.00 C ATOM 1515 C ALA B 694 -17.048 3.452 -23.777 1.00 0.00 C ATOM 1516 O ALA B 694 -17.833 4.383 -23.607 1.00 0.00 O ATOM 1517 CB ALA B 694 -17.686 1.094 -24.321 1.00 0.00 C ATOM 0 H ALA B 694 -15.622 1.299 -25.531 1.00 0.00 H new ATOM 0 HA ALA B 694 -18.028 2.850 -25.558 1.00 0.00 H new ATOM 0 HB1 ALA B 694 -18.593 1.226 -23.731 1.00 0.00 H new ATOM 0 HB2 ALA B 694 -17.879 0.390 -25.131 1.00 0.00 H new ATOM 0 HB3 ALA B 694 -16.892 0.705 -23.684 1.00 0.00 H new ATOM 1523 N VAL B 695 -15.956 3.317 -23.018 1.00 0.00 N ATOM 1524 CA VAL B 695 -15.654 4.292 -21.969 1.00 0.00 C ATOM 1525 C VAL B 695 -15.251 5.606 -22.643 1.00 0.00 C ATOM 1526 O VAL B 695 -15.609 6.670 -22.144 1.00 0.00 O ATOM 1527 CB VAL B 695 -14.597 3.766 -20.978 1.00 0.00 C ATOM 1528 CG1 VAL B 695 -14.365 4.735 -19.812 1.00 0.00 C ATOM 1529 CG2 VAL B 695 -14.974 2.411 -20.357 1.00 0.00 C ATOM 0 H VAL B 695 -15.280 2.558 -23.108 1.00 0.00 H new ATOM 0 HA VAL B 695 -16.538 4.469 -21.357 1.00 0.00 H new ATOM 0 HB VAL B 695 -13.695 3.660 -21.581 1.00 0.00 H new ATOM 0 HG11 VAL B 695 -13.613 4.322 -19.140 1.00 0.00 H new ATOM 0 HG12 VAL B 695 -14.019 5.694 -20.199 1.00 0.00 H new ATOM 0 HG13 VAL B 695 -15.298 4.879 -19.267 1.00 0.00 H new ATOM 0 HG21 VAL B 695 -14.190 2.095 -19.669 1.00 0.00 H new ATOM 0 HG22 VAL B 695 -15.915 2.508 -19.815 1.00 0.00 H new ATOM 0 HG23 VAL B 695 -15.085 1.667 -21.146 1.00 0.00 H new ATOM 1539 N GLN B 696 -14.598 5.555 -23.817 1.00 0.00 N ATOM 1540 CA GLN B 696 -14.359 6.775 -24.577 1.00 0.00 C ATOM 1541 C GLN B 696 -15.696 7.438 -24.931 1.00 0.00 C ATOM 1542 O GLN B 696 -15.802 8.653 -24.838 1.00 0.00 O ATOM 1543 CB GLN B 696 -13.586 6.536 -25.886 1.00 0.00 C ATOM 1544 CG GLN B 696 -12.138 6.072 -25.744 1.00 0.00 C ATOM 1545 CD GLN B 696 -11.558 5.758 -27.130 1.00 0.00 C ATOM 1546 OE1 GLN B 696 -11.566 6.589 -28.039 1.00 0.00 O ATOM 1547 NE2 GLN B 696 -11.096 4.536 -27.344 1.00 0.00 N ATOM 0 H GLN B 696 -14.238 4.702 -24.244 1.00 0.00 H new ATOM 0 HA GLN B 696 -13.750 7.415 -23.938 1.00 0.00 H new ATOM 0 HB2 GLN B 696 -14.127 5.793 -26.472 1.00 0.00 H new ATOM 0 HB3 GLN B 696 -13.593 7.462 -26.461 1.00 0.00 H new ATOM 0 HG2 GLN B 696 -11.544 6.846 -25.257 1.00 0.00 H new ATOM 0 HG3 GLN B 696 -12.090 5.187 -25.110 1.00 0.00 H new ATOM 0 HE21 GLN B 696 -11.092 3.852 -26.587 1.00 0.00 H new ATOM 0 HE22 GLN B 696 -10.744 4.278 -28.266 1.00 0.00 H new ATOM 1556 N LYS B 697 -16.715 6.656 -25.315 1.00 0.00 N ATOM 1557 CA LYS B 697 -18.065 7.147 -25.616 1.00 0.00 C ATOM 1558 C LYS B 697 -18.601 7.981 -24.456 1.00 0.00 C ATOM 1559 O LYS B 697 -19.125 9.071 -24.702 1.00 0.00 O ATOM 1560 CB LYS B 697 -19.019 5.961 -25.908 1.00 0.00 C ATOM 1561 CG LYS B 697 -20.003 6.225 -27.058 1.00 0.00 C ATOM 1562 CD LYS B 697 -19.590 5.510 -28.357 1.00 0.00 C ATOM 1563 CE LYS B 697 -18.213 5.963 -28.873 1.00 0.00 C ATOM 1564 NZ LYS B 697 -17.955 5.468 -30.253 1.00 0.00 N ATOM 0 H LYS B 697 -16.621 5.646 -25.427 1.00 0.00 H new ATOM 0 HA LYS B 697 -18.011 7.779 -26.503 1.00 0.00 H new ATOM 0 HB2 LYS B 697 -18.425 5.079 -26.146 1.00 0.00 H new ATOM 0 HB3 LYS B 697 -19.584 5.730 -25.005 1.00 0.00 H new ATOM 0 HG2 LYS B 697 -20.999 5.893 -26.764 1.00 0.00 H new ATOM 0 HG3 LYS B 697 -20.065 7.298 -27.241 1.00 0.00 H new ATOM 0 HD2 LYS B 697 -19.573 4.434 -28.185 1.00 0.00 H new ATOM 0 HD3 LYS B 697 -20.341 5.698 -29.125 1.00 0.00 H new ATOM 0 HE2 LYS B 697 -18.159 7.052 -28.860 1.00 0.00 H new ATOM 0 HE3 LYS B 697 -17.435 5.598 -28.203 1.00 0.00 H new ATOM 0 HZ1 LYS B 697 -16.955 5.198 -30.344 1.00 0.00 H new ATOM 0 HZ2 LYS B 697 -18.556 4.640 -30.443 1.00 0.00 H new ATOM 0 HZ3 LYS B 697 -18.174 6.219 -30.938 1.00 0.00 H new ATOM 1578 N GLU B 698 -18.421 7.492 -23.220 1.00 0.00 N ATOM 1579 CA GLU B 698 -18.814 8.240 -22.014 1.00 0.00 C ATOM 1580 C GLU B 698 -18.126 9.591 -22.061 1.00 0.00 C ATOM 1581 O GLU B 698 -18.760 10.639 -22.040 1.00 0.00 O ATOM 1582 CB GLU B 698 -18.406 7.542 -20.688 1.00 0.00 C ATOM 1583 CG GLU B 698 -19.513 7.647 -19.628 1.00 0.00 C ATOM 1584 CD GLU B 698 -20.441 6.421 -19.640 1.00 0.00 C ATOM 1585 OE1 GLU B 698 -21.408 6.388 -20.436 1.00 0.00 O ATOM 1586 OE2 GLU B 698 -20.187 5.490 -18.836 1.00 0.00 O ATOM 0 H GLU B 698 -18.005 6.581 -23.028 1.00 0.00 H new ATOM 0 HA GLU B 698 -19.901 8.314 -22.018 1.00 0.00 H new ATOM 0 HB2 GLU B 698 -18.186 6.492 -20.882 1.00 0.00 H new ATOM 0 HB3 GLU B 698 -17.491 7.994 -20.305 1.00 0.00 H new ATOM 0 HG2 GLU B 698 -19.061 7.750 -18.641 1.00 0.00 H new ATOM 0 HG3 GLU B 698 -20.100 8.548 -19.805 1.00 0.00 H new ATOM 1593 N LEU B 699 -16.799 9.532 -22.159 1.00 0.00 N ATOM 1594 CA LEU B 699 -15.916 10.662 -22.012 1.00 0.00 C ATOM 1595 C LEU B 699 -16.247 11.725 -23.033 1.00 0.00 C ATOM 1596 O LEU B 699 -16.627 12.804 -22.627 1.00 0.00 O ATOM 1597 CB LEU B 699 -14.476 10.157 -22.147 1.00 0.00 C ATOM 1598 CG LEU B 699 -13.796 9.702 -20.844 1.00 0.00 C ATOM 1599 CD1 LEU B 699 -14.724 9.223 -19.720 1.00 0.00 C ATOM 1600 CD2 LEU B 699 -12.807 8.595 -21.224 1.00 0.00 C ATOM 0 H LEU B 699 -16.303 8.661 -22.350 1.00 0.00 H new ATOM 0 HA LEU B 699 -16.038 11.125 -21.033 1.00 0.00 H new ATOM 0 HB2 LEU B 699 -14.469 9.322 -22.848 1.00 0.00 H new ATOM 0 HB3 LEU B 699 -13.874 10.950 -22.590 1.00 0.00 H new ATOM 0 HG LEU B 699 -13.318 10.582 -20.413 1.00 0.00 H new ATOM 0 HD11 LEU B 699 -14.128 8.930 -18.856 1.00 0.00 H new ATOM 0 HD12 LEU B 699 -15.400 10.030 -19.437 1.00 0.00 H new ATOM 0 HD13 LEU B 699 -15.305 8.368 -20.067 1.00 0.00 H new ATOM 0 HD21 LEU B 699 -12.298 8.239 -20.328 1.00 0.00 H new ATOM 0 HD22 LEU B 699 -13.346 7.769 -21.688 1.00 0.00 H new ATOM 0 HD23 LEU B 699 -12.072 8.989 -21.926 1.00 0.00 H new ATOM 1612 N LEU B 700 -16.172 11.439 -24.328 1.00 0.00 N ATOM 1613 CA LEU B 700 -16.394 12.450 -25.359 1.00 0.00 C ATOM 1614 C LEU B 700 -17.790 13.054 -25.274 1.00 0.00 C ATOM 1615 O LEU B 700 -17.924 14.270 -25.416 1.00 0.00 O ATOM 1616 CB LEU B 700 -16.073 11.907 -26.764 1.00 0.00 C ATOM 1617 CG LEU B 700 -16.873 10.654 -27.168 1.00 0.00 C ATOM 1618 CD1 LEU B 700 -18.034 10.966 -28.116 1.00 0.00 C ATOM 1619 CD2 LEU B 700 -15.946 9.616 -27.807 1.00 0.00 C ATOM 0 H LEU B 700 -15.958 10.510 -24.692 1.00 0.00 H new ATOM 0 HA LEU B 700 -15.695 13.265 -25.169 1.00 0.00 H new ATOM 0 HB2 LEU B 700 -16.262 12.693 -27.495 1.00 0.00 H new ATOM 0 HB3 LEU B 700 -15.009 11.674 -26.814 1.00 0.00 H new ATOM 0 HG LEU B 700 -17.306 10.253 -26.252 1.00 0.00 H new ATOM 0 HD11 LEU B 700 -18.559 10.044 -28.364 1.00 0.00 H new ATOM 0 HD12 LEU B 700 -18.724 11.657 -27.631 1.00 0.00 H new ATOM 0 HD13 LEU B 700 -17.647 11.420 -29.028 1.00 0.00 H new ATOM 0 HD21 LEU B 700 -16.524 8.736 -28.088 1.00 0.00 H new ATOM 0 HD22 LEU B 700 -15.480 10.042 -28.695 1.00 0.00 H new ATOM 0 HD23 LEU B 700 -15.173 9.330 -27.093 1.00 0.00 H new ATOM 1631 N ALA B 701 -18.819 12.240 -25.013 1.00 0.00 N ATOM 1632 CA ALA B 701 -20.184 12.741 -24.966 1.00 0.00 C ATOM 1633 C ALA B 701 -20.381 13.630 -23.742 1.00 0.00 C ATOM 1634 O ALA B 701 -20.889 14.741 -23.873 1.00 0.00 O ATOM 1635 CB ALA B 701 -21.155 11.561 -24.972 1.00 0.00 C ATOM 0 H ALA B 701 -18.727 11.240 -24.833 1.00 0.00 H new ATOM 0 HA ALA B 701 -20.383 13.354 -25.845 1.00 0.00 H new ATOM 0 HB1 ALA B 701 -22.179 11.932 -24.937 1.00 0.00 H new ATOM 0 HB2 ALA B 701 -21.012 10.977 -25.881 1.00 0.00 H new ATOM 0 HB3 ALA B 701 -20.967 10.931 -24.102 1.00 0.00 H new ATOM 1641 N GLU B 702 -19.944 13.182 -22.567 1.00 0.00 N ATOM 1642 CA GLU B 702 -20.041 13.967 -21.354 1.00 0.00 C ATOM 1643 C GLU B 702 -19.151 15.195 -21.428 1.00 0.00 C ATOM 1644 O GLU B 702 -19.566 16.246 -20.946 1.00 0.00 O ATOM 1645 CB GLU B 702 -19.637 13.148 -20.126 1.00 0.00 C ATOM 1646 CG GLU B 702 -20.565 12.022 -19.687 1.00 0.00 C ATOM 1647 CD GLU B 702 -22.042 12.449 -19.679 1.00 0.00 C ATOM 1648 OE1 GLU B 702 -22.479 13.161 -18.745 1.00 0.00 O ATOM 1649 OE2 GLU B 702 -22.786 12.107 -20.626 1.00 0.00 O ATOM 0 H GLU B 702 -19.515 12.266 -22.437 1.00 0.00 H new ATOM 0 HA GLU B 702 -21.083 14.272 -21.259 1.00 0.00 H new ATOM 0 HB2 GLU B 702 -18.655 12.717 -20.319 1.00 0.00 H new ATOM 0 HB3 GLU B 702 -19.524 13.835 -19.287 1.00 0.00 H new ATOM 0 HG2 GLU B 702 -20.440 11.170 -20.355 1.00 0.00 H new ATOM 0 HG3 GLU B 702 -20.281 11.689 -18.689 1.00 0.00 H new ATOM 1656 N TRP B 703 -17.958 15.097 -22.021 1.00 0.00 N ATOM 1657 CA TRP B 703 -17.009 16.192 -22.046 1.00 0.00 C ATOM 1658 C TRP B 703 -17.640 17.361 -22.803 1.00 0.00 C ATOM 1659 O TRP B 703 -17.593 18.489 -22.316 1.00 0.00 O ATOM 1660 CB TRP B 703 -15.657 15.806 -22.689 1.00 0.00 C ATOM 1661 CG TRP B 703 -14.701 14.852 -22.002 1.00 0.00 C ATOM 1662 CD1 TRP B 703 -14.628 14.532 -20.687 1.00 0.00 C ATOM 1663 CD2 TRP B 703 -13.664 14.035 -22.632 1.00 0.00 C ATOM 1664 NE1 TRP B 703 -13.660 13.563 -20.484 1.00 0.00 N ATOM 1665 CE2 TRP B 703 -12.966 13.287 -21.637 1.00 0.00 C ATOM 1666 CE3 TRP B 703 -13.252 13.854 -23.967 1.00 0.00 C ATOM 1667 CZ2 TRP B 703 -11.893 12.422 -21.939 1.00 0.00 C ATOM 1668 CZ3 TRP B 703 -12.232 12.946 -24.294 1.00 0.00 C ATOM 1669 CH2 TRP B 703 -11.569 12.223 -23.288 1.00 0.00 C ATOM 0 H TRP B 703 -17.632 14.254 -22.494 1.00 0.00 H new ATOM 0 HA TRP B 703 -16.786 16.469 -21.016 1.00 0.00 H new ATOM 0 HB2 TRP B 703 -15.881 15.381 -23.668 1.00 0.00 H new ATOM 0 HB3 TRP B 703 -15.111 16.734 -22.861 1.00 0.00 H new ATOM 0 HD1 TRP B 703 -15.237 14.970 -19.910 1.00 0.00 H new ATOM 0 HE1 TRP B 703 -13.484 13.109 -19.588 1.00 0.00 H new ATOM 0 HE3 TRP B 703 -13.728 14.423 -24.752 1.00 0.00 H new ATOM 0 HZ2 TRP B 703 -11.338 11.928 -21.155 1.00 0.00 H new ATOM 0 HZ3 TRP B 703 -11.955 12.802 -25.328 1.00 0.00 H new ATOM 0 HH2 TRP B 703 -10.804 11.509 -23.556 1.00 0.00 H new