USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 599 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 18 GLN : amide:sc= 0.214 K(o=1.1,f=3.4) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0.85 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.109 (180deg=-0.139) USER MOD Single : A 2 GLN : amide:sc= -3.37 K(o=-3.4,f=-8.1!) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 147:sc= -5.62! USER MOD Single : A 11 THR OG1 : rot -92:sc= -1 USER MOD Single : A 23 ASN : amide:sc= -1.42 X(o=-1.4,f=-1.9) USER MOD Single : A 26 TYR OH : rot -170:sc= 0.35 USER MOD Single : A 32 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.3!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= -0.0137 USER MOD Single : A 37 TYR OH : rot 100:sc= -0.36 USER MOD Single : A 38 GLN : amide:sc= -1.62! C(o=-1.6!,f=-5.7!) USER MOD Single : A 41 TYR OH : rot -166:sc= 0.0828 USER MOD Single : A 47 HIS : no HD1:sc= -2.48 K(o=-2.5,f=-3.5!) USER MOD Single : A 49 ASN : amide:sc= -1.79 K(o=-1.8,f=-0.6) USER MOD Single : A 54 THR OG1 : rot -47:sc= 0.937 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0.00568 USER MOD Single : A 66 ASN : amide:sc= -0.327 X(o=-0.33,f=-0.039) USER MOD Single : A 69 HIS : no HD1:sc= -0.694 X(o=-0.69,f=-0.76) USER MOD Single : A 70 HIS : no HD1:sc= -2 X(o=-2,f=-2) USER MOD Single : A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -0.013 (180deg=-0.183) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -8.589 -8.538 -11.477 1.00 0.00 N ATOM 2 CA MET A 1 -7.168 -8.162 -11.704 1.00 0.00 C ATOM 3 C MET A 1 -6.786 -6.930 -10.888 1.00 0.00 C ATOM 4 O MET A 1 -7.612 -6.372 -10.168 1.00 0.00 O ATOM 5 CB MET A 1 -6.968 -7.890 -13.197 1.00 0.00 C ATOM 6 CG MET A 1 -7.000 -9.146 -14.053 1.00 0.00 C ATOM 7 SD MET A 1 -5.351 -9.726 -14.496 1.00 0.00 S ATOM 8 CE MET A 1 -5.686 -10.532 -16.061 1.00 0.00 C ATOM 0 H1 MET A 1 -8.636 -9.508 -11.105 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.016 -7.883 -10.791 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.110 -8.486 -12.376 1.00 0.00 H new ATOM 0 HA MET A 1 -6.525 -8.981 -11.382 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.744 -7.206 -13.541 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.012 -7.386 -13.341 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.526 -9.935 -13.515 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.568 -8.947 -14.962 1.00 0.00 H new ATOM 0 HE1 MET A 1 -4.761 -10.944 -16.464 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.405 -11.337 -15.909 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.096 -9.807 -16.763 1.00 0.00 H new ATOM 20 N GLN A 2 -5.530 -6.514 -11.008 1.00 0.00 N ATOM 21 CA GLN A 2 -5.040 -5.347 -10.280 1.00 0.00 C ATOM 22 C GLN A 2 -4.381 -4.352 -11.229 1.00 0.00 C ATOM 23 O GLN A 2 -4.064 -4.684 -12.371 1.00 0.00 O ATOM 24 CB GLN A 2 -4.044 -5.776 -9.201 1.00 0.00 C ATOM 25 CG GLN A 2 -4.685 -6.536 -8.051 1.00 0.00 C ATOM 26 CD GLN A 2 -3.916 -7.789 -7.678 1.00 0.00 C ATOM 27 OE1 GLN A 2 -4.475 -8.885 -7.633 1.00 0.00 O ATOM 28 NE2 GLN A 2 -2.625 -7.634 -7.408 1.00 0.00 N ATOM 0 H GLN A 2 -4.833 -6.966 -11.601 1.00 0.00 H new ATOM 0 HA GLN A 2 -5.892 -4.860 -9.806 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -3.275 -6.401 -9.655 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -3.544 -4.891 -8.807 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -4.751 -5.883 -7.181 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -5.705 -6.808 -8.324 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -2.201 -6.707 -7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -2.057 -8.442 -7.151 1.00 0.00 H new ATOM 37 N HIS A 3 -4.179 -3.128 -10.748 1.00 0.00 N ATOM 38 CA HIS A 3 -3.558 -2.083 -11.556 1.00 0.00 C ATOM 39 C HIS A 3 -2.354 -1.477 -10.833 1.00 0.00 C ATOM 40 O HIS A 3 -2.506 -0.845 -9.789 1.00 0.00 O ATOM 41 CB HIS A 3 -4.577 -0.987 -11.876 1.00 0.00 C ATOM 42 CG HIS A 3 -5.875 -1.514 -12.405 1.00 0.00 C ATOM 43 ND1 HIS A 3 -7.031 -1.567 -11.652 1.00 0.00 N ATOM 44 CD2 HIS A 3 -6.199 -2.012 -13.622 1.00 0.00 C ATOM 45 CE1 HIS A 3 -8.007 -2.075 -12.381 1.00 0.00 C ATOM 46 NE2 HIS A 3 -7.530 -2.352 -13.581 1.00 0.00 N ATOM 0 H HIS A 3 -4.436 -2.836 -9.805 1.00 0.00 H new ATOM 0 HA HIS A 3 -3.212 -2.534 -12.486 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -4.770 -0.407 -10.974 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -4.146 -0.304 -12.608 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -5.535 -2.122 -14.467 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -9.023 -2.237 -12.052 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.063 -2.753 -14.352 1.00 0.00 H new ATOM 55 N PRO A 4 -1.135 -1.666 -11.377 1.00 0.00 N ATOM 56 CA PRO A 4 0.097 -1.132 -10.774 1.00 0.00 C ATOM 57 C PRO A 4 0.067 0.386 -10.637 1.00 0.00 C ATOM 58 O PRO A 4 -0.725 1.060 -11.296 1.00 0.00 O ATOM 59 CB PRO A 4 1.192 -1.548 -11.766 1.00 0.00 C ATOM 60 CG PRO A 4 0.613 -2.693 -12.519 1.00 0.00 C ATOM 61 CD PRO A 4 -0.858 -2.414 -12.616 1.00 0.00 C ATOM 0 HA PRO A 4 0.247 -1.511 -9.763 1.00 0.00 H new ATOM 0 HB2 PRO A 4 1.452 -0.727 -12.434 1.00 0.00 H new ATOM 0 HB3 PRO A 4 2.106 -1.838 -11.247 1.00 0.00 H new ATOM 0 HG2 PRO A 4 1.061 -2.777 -13.509 1.00 0.00 H new ATOM 0 HG3 PRO A 4 0.800 -3.635 -12.003 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -1.100 -1.829 -13.503 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -1.441 -3.334 -12.671 1.00 0.00 H new ATOM 69 N TYR A 5 0.945 0.922 -9.793 1.00 0.00 N ATOM 70 CA TYR A 5 1.019 2.367 -9.594 1.00 0.00 C ATOM 71 C TYR A 5 2.448 2.808 -9.338 1.00 0.00 C ATOM 72 O TYR A 5 2.895 3.818 -9.880 1.00 0.00 O ATOM 73 CB TYR A 5 0.117 2.820 -8.444 1.00 0.00 C ATOM 74 CG TYR A 5 -1.308 3.059 -8.879 1.00 0.00 C ATOM 75 CD1 TYR A 5 -2.151 1.996 -9.159 1.00 0.00 C ATOM 76 CD2 TYR A 5 -1.805 4.349 -9.031 1.00 0.00 C ATOM 77 CE1 TYR A 5 -3.451 2.206 -9.576 1.00 0.00 C ATOM 78 CE2 TYR A 5 -3.102 4.569 -9.450 1.00 0.00 C ATOM 79 CZ TYR A 5 -3.922 3.494 -9.722 1.00 0.00 C ATOM 80 OH TYR A 5 -5.214 3.710 -10.142 1.00 0.00 O ATOM 0 H TYR A 5 1.611 0.382 -9.240 1.00 0.00 H new ATOM 0 HA TYR A 5 0.666 2.838 -10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 5 0.131 2.065 -7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 5 0.519 3.736 -8.012 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -1.785 0.986 -9.049 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -1.166 5.193 -8.818 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -4.096 1.365 -9.787 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -3.472 5.577 -9.564 1.00 0.00 H new ATOM 0 HH TYR A 5 -5.563 4.524 -9.722 1.00 0.00 H new ATOM 90 N VAL A 6 3.173 2.049 -8.520 1.00 0.00 N ATOM 91 CA VAL A 6 4.555 2.387 -8.221 1.00 0.00 C ATOM 92 C VAL A 6 4.659 3.761 -7.564 1.00 0.00 C ATOM 93 O VAL A 6 4.110 4.745 -8.060 1.00 0.00 O ATOM 94 CB VAL A 6 5.399 2.380 -9.503 1.00 0.00 C ATOM 95 CG1 VAL A 6 6.879 2.510 -9.181 1.00 0.00 C ATOM 96 CG2 VAL A 6 5.124 1.120 -10.306 1.00 0.00 C ATOM 0 H VAL A 6 2.829 1.207 -8.059 1.00 0.00 H new ATOM 0 HA VAL A 6 4.932 1.635 -7.528 1.00 0.00 H new ATOM 0 HB VAL A 6 5.116 3.242 -10.107 1.00 0.00 H new ATOM 0 HG11 VAL A 6 7.455 2.502 -10.107 1.00 0.00 H new ATOM 0 HG12 VAL A 6 7.055 3.446 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.190 1.675 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.729 1.127 -11.213 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.377 0.245 -9.708 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.068 1.083 -10.574 1.00 0.00 H new ATOM 106 N GLY A 7 5.360 3.822 -6.440 1.00 0.00 N ATOM 107 CA GLY A 7 5.515 5.078 -5.731 1.00 0.00 C ATOM 108 C GLY A 7 5.869 4.877 -4.273 1.00 0.00 C ATOM 109 O GLY A 7 5.447 3.898 -3.662 1.00 0.00 O ATOM 0 H GLY A 7 5.824 3.024 -6.006 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.293 5.671 -6.213 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.589 5.649 -5.802 1.00 0.00 H new ATOM 113 N ILE A 8 6.637 5.803 -3.704 1.00 0.00 N ATOM 114 CA ILE A 8 7.015 5.694 -2.301 1.00 0.00 C ATOM 115 C ILE A 8 6.067 6.505 -1.440 1.00 0.00 C ATOM 116 O ILE A 8 6.213 7.713 -1.286 1.00 0.00 O ATOM 117 CB ILE A 8 8.473 6.136 -2.067 1.00 0.00 C ATOM 118 CG1 ILE A 8 9.407 5.181 -2.823 1.00 0.00 C ATOM 119 CG2 ILE A 8 8.792 6.169 -0.573 1.00 0.00 C ATOM 120 CD1 ILE A 8 10.492 4.545 -1.974 1.00 0.00 C ATOM 0 H ILE A 8 7.004 6.624 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 8 6.943 4.644 -2.016 1.00 0.00 H new ATOM 0 HB ILE A 8 8.620 7.147 -2.447 1.00 0.00 H new ATOM 0 HG12 ILE A 8 8.807 4.390 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 8 9.878 5.728 -3.640 1.00 0.00 H new ATOM 0 HG21 ILE A 8 9.826 6.483 -0.429 1.00 0.00 H new ATOM 0 HG22 ILE A 8 8.126 6.873 -0.074 1.00 0.00 H new ATOM 0 HG23 ILE A 8 8.653 5.175 -0.149 1.00 0.00 H new ATOM 0 HD11 ILE A 8 11.101 3.887 -2.594 1.00 0.00 H new ATOM 0 HD12 ILE A 8 11.122 5.324 -1.545 1.00 0.00 H new ATOM 0 HD13 ILE A 8 10.034 3.966 -1.172 1.00 0.00 H new ATOM 132 N TRP A 9 5.086 5.817 -0.890 1.00 0.00 N ATOM 133 CA TRP A 9 4.079 6.447 -0.052 1.00 0.00 C ATOM 134 C TRP A 9 4.524 6.463 1.404 1.00 0.00 C ATOM 135 O TRP A 9 4.522 5.436 2.084 1.00 0.00 O ATOM 136 CB TRP A 9 2.740 5.719 -0.221 1.00 0.00 C ATOM 137 CG TRP A 9 2.354 5.542 -1.666 1.00 0.00 C ATOM 138 CD1 TRP A 9 2.921 4.688 -2.573 1.00 0.00 C ATOM 139 CD2 TRP A 9 1.326 6.246 -2.376 1.00 0.00 C ATOM 140 NE1 TRP A 9 2.308 4.814 -3.799 1.00 0.00 N ATOM 141 CE2 TRP A 9 1.325 5.763 -3.702 1.00 0.00 C ATOM 142 CE3 TRP A 9 0.404 7.234 -2.021 1.00 0.00 C ATOM 143 CZ2 TRP A 9 0.440 6.237 -4.667 1.00 0.00 C ATOM 144 CZ3 TRP A 9 -0.474 7.703 -2.981 1.00 0.00 C ATOM 145 CH2 TRP A 9 -0.450 7.204 -4.289 1.00 0.00 C ATOM 0 H TRP A 9 4.963 4.811 -1.009 1.00 0.00 H new ATOM 0 HA TRP A 9 3.950 7.484 -0.363 1.00 0.00 H new ATOM 0 HB2 TRP A 9 2.800 4.741 0.257 1.00 0.00 H new ATOM 0 HB3 TRP A 9 1.959 6.279 0.294 1.00 0.00 H new ATOM 0 HD1 TRP A 9 3.734 4.011 -2.357 1.00 0.00 H new ATOM 0 HE1 TRP A 9 2.546 4.288 -4.640 1.00 0.00 H new ATOM 0 HE3 TRP A 9 0.377 7.625 -1.014 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 0.456 5.855 -5.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -1.190 8.467 -2.717 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -1.149 7.591 -5.015 1.00 0.00 H new ATOM 156 N VAL A 10 4.928 7.645 1.868 1.00 0.00 N ATOM 157 CA VAL A 10 5.402 7.817 3.236 1.00 0.00 C ATOM 158 C VAL A 10 4.429 8.650 4.064 1.00 0.00 C ATOM 159 O VAL A 10 3.652 9.440 3.526 1.00 0.00 O ATOM 160 CB VAL A 10 6.794 8.489 3.253 1.00 0.00 C ATOM 161 CG1 VAL A 10 7.230 8.834 4.670 1.00 0.00 C ATOM 162 CG2 VAL A 10 7.826 7.592 2.582 1.00 0.00 C ATOM 0 H VAL A 10 4.935 8.500 1.312 1.00 0.00 H new ATOM 0 HA VAL A 10 5.474 6.824 3.679 1.00 0.00 H new ATOM 0 HB VAL A 10 6.720 9.421 2.693 1.00 0.00 H new ATOM 0 HG11 VAL A 10 8.213 9.305 4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 10 6.510 9.521 5.115 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.280 7.924 5.267 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.800 8.080 2.602 1.00 0.00 H new ATOM 0 HG22 VAL A 10 7.884 6.643 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.533 7.410 1.548 1.00 0.00 H new ATOM 172 N THR A 11 4.483 8.461 5.377 1.00 0.00 N ATOM 173 CA THR A 11 3.613 9.184 6.298 1.00 0.00 C ATOM 174 C THR A 11 3.991 10.662 6.367 1.00 0.00 C ATOM 175 O THR A 11 5.010 11.081 5.819 1.00 0.00 O ATOM 176 CB THR A 11 3.693 8.557 7.688 1.00 0.00 C ATOM 177 OG1 THR A 11 4.956 7.947 7.894 1.00 0.00 O ATOM 178 CG2 THR A 11 2.629 7.507 7.922 1.00 0.00 C ATOM 0 H THR A 11 5.124 7.810 5.830 1.00 0.00 H new ATOM 0 HA THR A 11 2.590 9.114 5.928 1.00 0.00 H new ATOM 0 HB THR A 11 3.538 9.377 8.389 1.00 0.00 H new ATOM 0 HG1 THR A 11 4.910 7.003 7.634 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.737 7.098 8.926 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.643 7.959 7.818 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.740 6.707 7.190 1.00 0.00 H new ATOM 186 N ALA A 12 3.157 11.448 7.046 1.00 0.00 N ATOM 187 CA ALA A 12 3.398 12.881 7.189 1.00 0.00 C ATOM 188 C ALA A 12 4.536 13.159 8.169 1.00 0.00 C ATOM 189 O ALA A 12 5.121 14.242 8.158 1.00 0.00 O ATOM 190 CB ALA A 12 2.126 13.591 7.636 1.00 0.00 C ATOM 0 H ALA A 12 2.309 11.116 7.505 1.00 0.00 H new ATOM 0 HA ALA A 12 3.695 13.269 6.215 1.00 0.00 H new ATOM 0 HB1 ALA A 12 2.322 14.658 7.738 1.00 0.00 H new ATOM 0 HB2 ALA A 12 1.343 13.435 6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 12 1.802 13.188 8.596 1.00 0.00 H new ATOM 196 N ASP A 13 4.846 12.180 9.014 1.00 0.00 N ATOM 197 CA ASP A 13 5.914 12.333 9.994 1.00 0.00 C ATOM 198 C ASP A 13 7.192 11.650 9.517 1.00 0.00 C ATOM 199 O ASP A 13 8.295 12.038 9.903 1.00 0.00 O ATOM 200 CB ASP A 13 5.481 11.753 11.344 1.00 0.00 C ATOM 201 CG ASP A 13 5.146 12.830 12.354 1.00 0.00 C ATOM 202 OD1 ASP A 13 4.088 13.477 12.204 1.00 0.00 O ATOM 203 OD2 ASP A 13 5.940 13.027 13.299 1.00 0.00 O ATOM 0 H ASP A 13 4.374 11.276 9.039 1.00 0.00 H new ATOM 0 HA ASP A 13 6.117 13.397 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.612 11.112 11.199 1.00 0.00 H new ATOM 0 HB3 ASP A 13 6.279 11.124 11.739 1.00 0.00 H new ATOM 208 N GLY A 14 7.036 10.629 8.681 1.00 0.00 N ATOM 209 CA GLY A 14 8.187 9.909 8.172 1.00 0.00 C ATOM 210 C GLY A 14 8.597 8.772 9.084 1.00 0.00 C ATOM 211 O GLY A 14 9.757 8.358 9.088 1.00 0.00 O ATOM 0 H GLY A 14 6.134 10.288 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 14 7.958 9.515 7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 14 9.023 10.599 8.055 1.00 0.00 H new ATOM 215 N ARG A 15 7.642 8.258 9.853 1.00 0.00 N ATOM 216 CA ARG A 15 7.918 7.150 10.766 1.00 0.00 C ATOM 217 C ARG A 15 7.897 5.826 10.014 1.00 0.00 C ATOM 218 O ARG A 15 8.560 4.866 10.408 1.00 0.00 O ATOM 219 CB ARG A 15 6.927 7.109 11.946 1.00 0.00 C ATOM 220 CG ARG A 15 5.789 8.115 11.863 1.00 0.00 C ATOM 221 CD ARG A 15 4.772 7.719 10.807 1.00 0.00 C ATOM 222 NE ARG A 15 3.425 7.583 11.359 1.00 0.00 N ATOM 223 CZ ARG A 15 2.984 6.495 11.987 1.00 0.00 C ATOM 224 NH1 ARG A 15 3.776 5.443 12.149 1.00 0.00 N ATOM 225 NH2 ARG A 15 1.744 6.459 12.456 1.00 0.00 N ATOM 0 H ARG A 15 6.677 8.587 9.864 1.00 0.00 H new ATOM 0 HA ARG A 15 8.913 7.313 11.181 1.00 0.00 H new ATOM 0 HB2 ARG A 15 6.503 6.107 12.010 1.00 0.00 H new ATOM 0 HB3 ARG A 15 7.478 7.282 12.870 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.297 8.191 12.833 1.00 0.00 H new ATOM 0 HG3 ARG A 15 6.190 9.102 11.631 1.00 0.00 H new ATOM 0 HD2 ARG A 15 4.764 8.467 10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 15 5.073 6.776 10.351 1.00 0.00 H new ATOM 0 HE ARG A 15 2.784 8.370 11.257 1.00 0.00 H new ATOM 0 HH11 ARG A 15 4.731 5.464 11.791 1.00 0.00 H new ATOM 0 HH12 ARG A 15 3.430 4.614 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 15 1.130 7.264 12.335 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.405 5.626 12.937 1.00 0.00 H new ATOM 239 N ILE A 16 7.147 5.785 8.915 1.00 0.00 N ATOM 240 CA ILE A 16 7.058 4.584 8.095 1.00 0.00 C ATOM 241 C ILE A 16 7.058 4.954 6.616 1.00 0.00 C ATOM 242 O ILE A 16 6.710 6.076 6.250 1.00 0.00 O ATOM 243 CB ILE A 16 5.807 3.725 8.440 1.00 0.00 C ATOM 244 CG1 ILE A 16 4.641 3.989 7.476 1.00 0.00 C ATOM 245 CG2 ILE A 16 5.368 3.978 9.871 1.00 0.00 C ATOM 246 CD1 ILE A 16 4.536 2.962 6.370 1.00 0.00 C ATOM 0 H ILE A 16 6.593 6.571 8.574 1.00 0.00 H new ATOM 0 HA ILE A 16 7.935 3.976 8.314 1.00 0.00 H new ATOM 0 HB ILE A 16 6.094 2.679 8.330 1.00 0.00 H new ATOM 0 HG12 ILE A 16 3.708 4.003 8.040 1.00 0.00 H new ATOM 0 HG13 ILE A 16 4.761 4.978 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.492 3.369 10.096 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.177 3.715 10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.119 5.032 9.994 1.00 0.00 H new ATOM 0 HD11 ILE A 16 3.692 3.207 5.725 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.454 2.964 5.783 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.386 1.974 6.804 1.00 0.00 H new ATOM 258 N ARG A 17 7.453 4.015 5.771 1.00 0.00 N ATOM 259 CA ARG A 17 7.502 4.260 4.338 1.00 0.00 C ATOM 260 C ARG A 17 7.014 3.041 3.558 1.00 0.00 C ATOM 261 O ARG A 17 7.482 1.926 3.776 1.00 0.00 O ATOM 262 CB ARG A 17 8.935 4.643 3.930 1.00 0.00 C ATOM 263 CG ARG A 17 9.474 3.914 2.707 1.00 0.00 C ATOM 264 CD ARG A 17 10.965 4.142 2.547 1.00 0.00 C ATOM 265 NE ARG A 17 11.750 3.268 3.414 1.00 0.00 N ATOM 266 CZ ARG A 17 13.048 3.435 3.654 1.00 0.00 C ATOM 267 NH1 ARG A 17 13.710 4.439 3.095 1.00 0.00 N ATOM 268 NH2 ARG A 17 13.686 2.594 4.458 1.00 0.00 N ATOM 0 H ARG A 17 7.744 3.078 6.051 1.00 0.00 H new ATOM 0 HA ARG A 17 6.835 5.088 4.097 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.967 5.716 3.738 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.600 4.449 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.274 2.846 2.799 1.00 0.00 H new ATOM 0 HG3 ARG A 17 8.952 4.260 1.815 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.248 3.971 1.508 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.199 5.182 2.774 1.00 0.00 H new ATOM 0 HE ARG A 17 11.276 2.484 3.862 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.224 5.089 2.477 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.705 4.561 3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.181 1.821 4.891 1.00 0.00 H new ATOM 0 HH22 ARG A 17 14.681 2.721 4.643 1.00 0.00 H new ATOM 282 N GLN A 18 6.074 3.267 2.645 1.00 0.00 N ATOM 283 CA GLN A 18 5.527 2.190 1.827 1.00 0.00 C ATOM 284 C GLN A 18 5.887 2.392 0.361 1.00 0.00 C ATOM 285 O GLN A 18 5.411 3.328 -0.280 1.00 0.00 O ATOM 286 CB GLN A 18 4.010 2.115 1.996 1.00 0.00 C ATOM 287 CG GLN A 18 3.401 0.833 1.454 1.00 0.00 C ATOM 288 CD GLN A 18 1.952 1.005 1.043 1.00 0.00 C ATOM 289 OE1 GLN A 18 1.038 0.662 1.791 1.00 0.00 O ATOM 290 NE2 GLN A 18 1.735 1.538 -0.155 1.00 0.00 N ATOM 0 H GLN A 18 5.675 4.186 2.453 1.00 0.00 H new ATOM 0 HA GLN A 18 5.964 1.249 2.161 1.00 0.00 H new ATOM 0 HB2 GLN A 18 3.766 2.204 3.055 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.554 2.966 1.491 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.981 0.494 0.595 1.00 0.00 H new ATOM 0 HG3 GLN A 18 3.470 0.053 2.213 1.00 0.00 H new ATOM 0 HE21 GLN A 18 2.523 1.808 -0.743 1.00 0.00 H new ATOM 0 HE22 GLN A 18 0.780 1.677 -0.486 1.00 0.00 H new ATOM 299 N GLU A 19 6.735 1.513 -0.166 1.00 0.00 N ATOM 300 CA GLU A 19 7.156 1.611 -1.555 1.00 0.00 C ATOM 301 C GLU A 19 6.284 0.760 -2.457 1.00 0.00 C ATOM 302 O GLU A 19 6.142 -0.445 -2.248 1.00 0.00 O ATOM 303 CB GLU A 19 8.612 1.176 -1.719 1.00 0.00 C ATOM 304 CG GLU A 19 9.106 1.216 -3.156 1.00 0.00 C ATOM 305 CD GLU A 19 10.587 0.909 -3.274 1.00 0.00 C ATOM 306 OE1 GLU A 19 11.015 -0.151 -2.768 1.00 0.00 O ATOM 307 OE2 GLU A 19 11.317 1.728 -3.869 1.00 0.00 O ATOM 0 H GLU A 19 7.141 0.730 0.347 1.00 0.00 H new ATOM 0 HA GLU A 19 7.055 2.657 -1.844 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.245 1.821 -1.109 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.724 0.162 -1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.542 0.497 -3.750 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.909 2.202 -3.577 1.00 0.00 H new ATOM 314 N LEU A 20 5.743 1.384 -3.486 1.00 0.00 N ATOM 315 CA LEU A 20 4.933 0.669 -4.449 1.00 0.00 C ATOM 316 C LEU A 20 5.845 0.203 -5.569 1.00 0.00 C ATOM 317 O LEU A 20 6.466 1.005 -6.266 1.00 0.00 O ATOM 318 CB LEU A 20 3.775 1.536 -4.957 1.00 0.00 C ATOM 319 CG LEU A 20 2.638 1.753 -3.950 1.00 0.00 C ATOM 320 CD1 LEU A 20 1.365 2.180 -4.655 1.00 0.00 C ATOM 321 CD2 LEU A 20 2.385 0.500 -3.124 1.00 0.00 C ATOM 0 H LEU A 20 5.850 2.381 -3.675 1.00 0.00 H new ATOM 0 HA LEU A 20 4.466 -0.199 -3.983 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.171 2.508 -5.251 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.362 1.075 -5.855 1.00 0.00 H new ATOM 0 HG LEU A 20 2.947 2.551 -3.275 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.574 2.327 -3.920 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.541 3.113 -5.191 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.064 1.407 -5.362 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.574 0.686 -2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.111 -0.322 -3.785 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.289 0.238 -2.575 1.00 0.00 H new ATOM 333 N LEU A 21 5.978 -1.106 -5.670 1.00 0.00 N ATOM 334 CA LEU A 21 6.876 -1.725 -6.629 1.00 0.00 C ATOM 335 C LEU A 21 6.442 -1.561 -8.077 1.00 0.00 C ATOM 336 O LEU A 21 5.266 -1.354 -8.374 1.00 0.00 O ATOM 337 CB LEU A 21 7.017 -3.206 -6.288 1.00 0.00 C ATOM 338 CG LEU A 21 8.286 -3.590 -5.512 1.00 0.00 C ATOM 339 CD1 LEU A 21 8.960 -2.364 -4.897 1.00 0.00 C ATOM 340 CD2 LEU A 21 7.949 -4.596 -4.428 1.00 0.00 C ATOM 0 H LEU A 21 5.467 -1.771 -5.090 1.00 0.00 H new ATOM 0 HA LEU A 21 7.833 -1.210 -6.548 1.00 0.00 H new ATOM 0 HB2 LEU A 21 6.149 -3.510 -5.703 1.00 0.00 H new ATOM 0 HB3 LEU A 21 6.993 -3.778 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 21 8.986 -4.038 -6.217 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.854 -2.673 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.237 -1.667 -5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 21 8.270 -1.876 -4.209 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.855 -4.862 -3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 21 7.226 -4.160 -3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 21 7.523 -5.491 -4.882 1.00 0.00 H new ATOM 352 N PRO A 22 7.419 -1.680 -9.002 1.00 0.00 N ATOM 353 CA PRO A 22 7.181 -1.568 -10.445 1.00 0.00 C ATOM 354 C PRO A 22 6.290 -2.691 -10.960 1.00 0.00 C ATOM 355 O PRO A 22 5.779 -2.631 -12.078 1.00 0.00 O ATOM 356 CB PRO A 22 8.585 -1.666 -11.061 1.00 0.00 C ATOM 357 CG PRO A 22 9.528 -1.425 -9.929 1.00 0.00 C ATOM 358 CD PRO A 22 8.837 -1.953 -8.709 1.00 0.00 C ATOM 0 HA PRO A 22 6.664 -0.644 -10.703 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.751 -2.646 -11.509 1.00 0.00 H new ATOM 0 HB3 PRO A 22 8.721 -0.927 -11.851 1.00 0.00 H new ATOM 0 HG2 PRO A 22 10.477 -1.936 -10.094 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.751 -0.363 -9.824 1.00 0.00 H new ATOM 0 HD2 PRO A 22 9.024 -3.017 -8.565 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.169 -1.446 -7.803 1.00 0.00 H new ATOM 366 N ASN A 23 6.097 -3.708 -10.125 1.00 0.00 N ATOM 367 CA ASN A 23 5.256 -4.843 -10.478 1.00 0.00 C ATOM 368 C ASN A 23 3.837 -4.628 -9.954 1.00 0.00 C ATOM 369 O ASN A 23 3.077 -5.579 -9.780 1.00 0.00 O ATOM 370 CB ASN A 23 5.844 -6.126 -9.880 1.00 0.00 C ATOM 371 CG ASN A 23 4.992 -7.355 -10.172 1.00 0.00 C ATOM 372 OD1 ASN A 23 4.302 -7.409 -11.189 1.00 0.00 O ATOM 373 ND2 ASN A 23 5.028 -8.352 -9.284 1.00 0.00 N ATOM 0 H ASN A 23 6.514 -3.767 -9.196 1.00 0.00 H new ATOM 0 HA ASN A 23 5.220 -4.936 -11.563 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.847 -6.281 -10.278 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.944 -6.006 -8.801 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.472 -9.193 -9.438 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.612 -8.273 -8.451 1.00 0.00 H new ATOM 380 N GLY A 24 3.492 -3.371 -9.679 1.00 0.00 N ATOM 381 CA GLY A 24 2.177 -3.076 -9.151 1.00 0.00 C ATOM 382 C GLY A 24 1.995 -3.721 -7.799 1.00 0.00 C ATOM 383 O GLY A 24 1.018 -4.431 -7.562 1.00 0.00 O ATOM 0 H GLY A 24 4.097 -2.560 -9.812 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.046 -1.997 -9.067 1.00 0.00 H new ATOM 0 HA3 GLY A 24 1.413 -3.437 -9.839 1.00 0.00 H new ATOM 387 N ARG A 25 2.963 -3.490 -6.921 1.00 0.00 N ATOM 388 CA ARG A 25 2.936 -4.073 -5.586 1.00 0.00 C ATOM 389 C ARG A 25 3.405 -3.071 -4.546 1.00 0.00 C ATOM 390 O ARG A 25 3.711 -1.929 -4.876 1.00 0.00 O ATOM 391 CB ARG A 25 3.800 -5.330 -5.554 1.00 0.00 C ATOM 392 CG ARG A 25 3.427 -6.320 -6.640 1.00 0.00 C ATOM 393 CD ARG A 25 1.994 -6.808 -6.475 1.00 0.00 C ATOM 394 NE ARG A 25 1.939 -8.229 -6.140 1.00 0.00 N ATOM 395 CZ ARG A 25 2.103 -9.206 -7.028 1.00 0.00 C ATOM 396 NH1 ARG A 25 2.326 -8.921 -8.305 1.00 0.00 N ATOM 397 NH2 ARG A 25 2.043 -10.473 -6.638 1.00 0.00 N ATOM 0 H ARG A 25 3.776 -2.903 -7.109 1.00 0.00 H new ATOM 0 HA ARG A 25 1.908 -4.344 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.847 -5.050 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.701 -5.810 -4.580 1.00 0.00 H new ATOM 0 HG2 ARG A 25 3.544 -5.852 -7.617 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.109 -7.170 -6.610 1.00 0.00 H new ATOM 0 HD2 ARG A 25 1.502 -6.231 -5.692 1.00 0.00 H new ATOM 0 HD3 ARG A 25 1.441 -6.631 -7.398 1.00 0.00 H new ATOM 0 HE ARG A 25 1.765 -8.487 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.372 -7.949 -8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.451 -9.674 -8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.871 -10.697 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.169 -11.223 -7.318 1.00 0.00 H new ATOM 411 N TYR A 26 3.427 -3.488 -3.286 1.00 0.00 N ATOM 412 CA TYR A 26 3.826 -2.591 -2.209 1.00 0.00 C ATOM 413 C TYR A 26 4.784 -3.246 -1.217 1.00 0.00 C ATOM 414 O TYR A 26 4.729 -4.450 -0.972 1.00 0.00 O ATOM 415 CB TYR A 26 2.573 -2.069 -1.501 1.00 0.00 C ATOM 416 CG TYR A 26 2.170 -2.836 -0.265 1.00 0.00 C ATOM 417 CD1 TYR A 26 2.923 -2.764 0.893 1.00 0.00 C ATOM 418 CD2 TYR A 26 1.031 -3.623 -0.265 1.00 0.00 C ATOM 419 CE1 TYR A 26 2.553 -3.460 2.028 1.00 0.00 C ATOM 420 CE2 TYR A 26 0.648 -4.322 0.861 1.00 0.00 C ATOM 421 CZ TYR A 26 1.413 -4.239 2.007 1.00 0.00 C ATOM 422 OH TYR A 26 1.038 -4.933 3.133 1.00 0.00 O ATOM 0 H TYR A 26 3.176 -4.430 -2.987 1.00 0.00 H new ATOM 0 HA TYR A 26 4.375 -1.759 -2.650 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.737 -1.027 -1.226 1.00 0.00 H new ATOM 0 HB3 TYR A 26 1.742 -2.085 -2.207 1.00 0.00 H new ATOM 0 HD1 TYR A 26 3.814 -2.154 0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.432 -3.691 -1.161 1.00 0.00 H new ATOM 0 HE1 TYR A 26 3.151 -3.395 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.244 -4.930 0.846 1.00 0.00 H new ATOM 0 HH TYR A 26 0.312 -5.552 2.909 1.00 0.00 H new ATOM 432 N ASP A 27 5.648 -2.415 -0.643 1.00 0.00 N ATOM 433 CA ASP A 27 6.628 -2.845 0.346 1.00 0.00 C ATOM 434 C ASP A 27 6.833 -1.731 1.366 1.00 0.00 C ATOM 435 O ASP A 27 7.390 -0.684 1.040 1.00 0.00 O ATOM 436 CB ASP A 27 7.956 -3.179 -0.333 1.00 0.00 C ATOM 437 CG ASP A 27 8.263 -4.664 -0.310 1.00 0.00 C ATOM 438 OD1 ASP A 27 7.708 -5.399 -1.154 1.00 0.00 O ATOM 439 OD2 ASP A 27 9.057 -5.094 0.554 1.00 0.00 O ATOM 0 H ASP A 27 5.687 -1.418 -0.853 1.00 0.00 H new ATOM 0 HA ASP A 27 6.261 -3.740 0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 27 7.929 -2.833 -1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 27 8.761 -2.637 0.164 1.00 0.00 H new ATOM 444 N GLU A 28 6.360 -1.939 2.590 1.00 0.00 N ATOM 445 CA GLU A 28 6.481 -0.914 3.618 1.00 0.00 C ATOM 446 C GLU A 28 7.587 -1.226 4.621 1.00 0.00 C ATOM 447 O GLU A 28 7.700 -2.344 5.125 1.00 0.00 O ATOM 448 CB GLU A 28 5.127 -0.718 4.322 1.00 0.00 C ATOM 449 CG GLU A 28 5.218 -0.368 5.801 1.00 0.00 C ATOM 450 CD GLU A 28 3.874 -0.445 6.500 1.00 0.00 C ATOM 451 OE1 GLU A 28 3.052 0.475 6.310 1.00 0.00 O ATOM 452 OE2 GLU A 28 3.645 -1.429 7.235 1.00 0.00 O ATOM 0 H GLU A 28 5.896 -2.796 2.891 1.00 0.00 H new ATOM 0 HA GLU A 28 6.765 0.018 3.129 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.579 0.073 3.810 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.543 -1.632 4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.917 -1.047 6.289 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.623 0.638 5.909 1.00 0.00 H new ATOM 459 N ALA A 29 8.387 -0.205 4.912 1.00 0.00 N ATOM 460 CA ALA A 29 9.479 -0.316 5.865 1.00 0.00 C ATOM 461 C ALA A 29 9.245 0.634 7.033 1.00 0.00 C ATOM 462 O ALA A 29 9.402 1.847 6.899 1.00 0.00 O ATOM 463 CB ALA A 29 10.805 -0.003 5.183 1.00 0.00 C ATOM 0 H ALA A 29 8.294 0.720 4.493 1.00 0.00 H new ATOM 0 HA ALA A 29 9.518 -1.337 6.245 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.616 -0.089 5.907 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.970 -0.707 4.368 1.00 0.00 H new ATOM 0 HB3 ALA A 29 10.779 1.012 4.786 1.00 0.00 H new ATOM 469 N ARG A 30 8.852 0.078 8.172 1.00 0.00 N ATOM 470 CA ARG A 30 8.577 0.881 9.358 1.00 0.00 C ATOM 471 C ARG A 30 9.730 0.814 10.354 1.00 0.00 C ATOM 472 O ARG A 30 9.985 -0.229 10.956 1.00 0.00 O ATOM 473 CB ARG A 30 7.281 0.411 10.018 1.00 0.00 C ATOM 474 CG ARG A 30 6.177 0.101 9.019 1.00 0.00 C ATOM 475 CD ARG A 30 4.801 0.383 9.595 1.00 0.00 C ATOM 476 NE ARG A 30 4.652 -0.143 10.951 1.00 0.00 N ATOM 477 CZ ARG A 30 3.508 -0.126 11.631 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.410 0.382 11.085 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.460 -0.625 12.859 1.00 0.00 N ATOM 0 H ARG A 30 8.716 -0.925 8.300 1.00 0.00 H new ATOM 0 HA ARG A 30 8.466 1.919 9.045 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.486 -0.480 10.611 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.933 1.180 10.707 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.323 0.697 8.119 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.239 -0.946 8.722 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.626 1.459 9.603 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.041 -0.059 8.950 1.00 0.00 H new ATOM 0 HE ARG A 30 5.473 -0.547 11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.440 0.762 10.139 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.536 0.392 11.611 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.299 -1.021 13.282 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.584 -0.612 13.381 1.00 0.00 H new ATOM 493 N GLY A 31 10.422 1.938 10.525 1.00 0.00 N ATOM 494 CA GLY A 31 11.538 1.994 11.452 1.00 0.00 C ATOM 495 C GLY A 31 12.588 0.937 11.168 1.00 0.00 C ATOM 496 O GLY A 31 12.738 0.490 10.031 1.00 0.00 O ATOM 0 H GLY A 31 10.228 2.812 10.037 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.998 2.981 11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.167 1.868 12.469 1.00 0.00 H new ATOM 500 N ASN A 32 13.316 0.537 12.207 1.00 0.00 N ATOM 501 CA ASN A 32 14.358 -0.475 12.067 1.00 0.00 C ATOM 502 C ASN A 32 13.795 -1.766 11.478 1.00 0.00 C ATOM 503 O ASN A 32 14.530 -2.570 10.905 1.00 0.00 O ATOM 504 CB ASN A 32 15.004 -0.761 13.425 1.00 0.00 C ATOM 505 CG ASN A 32 16.477 -1.097 13.304 1.00 0.00 C ATOM 506 OD1 ASN A 32 17.122 -0.768 12.309 1.00 0.00 O ATOM 507 ND2 ASN A 32 17.019 -1.758 14.320 1.00 0.00 N ATOM 0 H ASN A 32 13.203 0.898 13.154 1.00 0.00 H new ATOM 0 HA ASN A 32 15.114 -0.087 11.384 1.00 0.00 H new ATOM 0 HB2 ASN A 32 14.884 0.108 14.072 1.00 0.00 H new ATOM 0 HB3 ASN A 32 14.483 -1.590 13.905 1.00 0.00 H new ATOM 0 HD21 ASN A 32 18.006 -2.012 14.294 1.00 0.00 H new ATOM 0 HD22 ASN A 32 16.448 -2.011 15.126 1.00 0.00 H new ATOM 514 N ARG A 33 12.486 -1.957 11.620 1.00 0.00 N ATOM 515 CA ARG A 33 11.829 -3.151 11.098 1.00 0.00 C ATOM 516 C ARG A 33 11.313 -2.905 9.684 1.00 0.00 C ATOM 517 O ARG A 33 10.141 -2.578 9.487 1.00 0.00 O ATOM 518 CB ARG A 33 10.675 -3.570 12.016 1.00 0.00 C ATOM 519 CG ARG A 33 9.838 -4.718 11.471 1.00 0.00 C ATOM 520 CD ARG A 33 10.610 -6.026 11.484 1.00 0.00 C ATOM 521 NE ARG A 33 10.482 -6.722 12.762 1.00 0.00 N ATOM 522 CZ ARG A 33 10.744 -8.017 12.930 1.00 0.00 C ATOM 523 NH1 ARG A 33 11.147 -8.758 11.905 1.00 0.00 N ATOM 524 NH2 ARG A 33 10.600 -8.572 14.124 1.00 0.00 N ATOM 0 H ARG A 33 11.861 -1.302 12.091 1.00 0.00 H new ATOM 0 HA ARG A 33 12.561 -3.958 11.064 1.00 0.00 H new ATOM 0 HB2 ARG A 33 11.081 -3.858 12.985 1.00 0.00 H new ATOM 0 HB3 ARG A 33 10.027 -2.710 12.185 1.00 0.00 H new ATOM 0 HG2 ARG A 33 8.932 -4.824 12.067 1.00 0.00 H new ATOM 0 HG3 ARG A 33 9.525 -4.489 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.247 -6.669 10.682 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.663 -5.828 11.282 1.00 0.00 H new ATOM 0 HE ARG A 33 10.174 -6.185 13.573 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.257 -8.336 10.983 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.346 -9.749 12.039 1.00 0.00 H new ATOM 0 HH21 ARG A 33 10.289 -8.008 14.915 1.00 0.00 H new ATOM 0 HH22 ARG A 33 10.801 -9.564 14.253 1.00 0.00 H new ATOM 538 N LYS A 34 12.194 -3.067 8.702 1.00 0.00 N ATOM 539 CA LYS A 34 11.822 -2.866 7.305 1.00 0.00 C ATOM 540 C LYS A 34 11.157 -4.117 6.743 1.00 0.00 C ATOM 541 O LYS A 34 11.170 -5.173 7.376 1.00 0.00 O ATOM 542 CB LYS A 34 13.046 -2.498 6.465 1.00 0.00 C ATOM 543 CG LYS A 34 14.270 -3.349 6.759 1.00 0.00 C ATOM 544 CD LYS A 34 15.172 -2.682 7.784 1.00 0.00 C ATOM 545 CE LYS A 34 16.371 -2.017 7.127 1.00 0.00 C ATOM 546 NZ LYS A 34 16.188 -0.546 6.998 1.00 0.00 N ATOM 0 H LYS A 34 13.167 -3.336 8.846 1.00 0.00 H new ATOM 0 HA LYS A 34 11.111 -2.041 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 34 12.793 -2.595 5.409 1.00 0.00 H new ATOM 0 HB3 LYS A 34 13.293 -1.451 6.639 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.957 -4.326 7.128 1.00 0.00 H new ATOM 0 HG3 LYS A 34 14.827 -3.520 5.838 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.603 -1.938 8.341 1.00 0.00 H new ATOM 0 HD3 LYS A 34 15.516 -3.424 8.504 1.00 0.00 H new ATOM 0 HE2 LYS A 34 17.266 -2.221 7.714 1.00 0.00 H new ATOM 0 HE3 LYS A 34 16.531 -2.451 6.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 17.027 -0.130 6.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 15.348 -0.350 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 16.061 -0.128 7.942 1.00 0.00 H new ATOM 560 N SER A 35 10.572 -3.996 5.556 1.00 0.00 N ATOM 561 CA SER A 35 9.897 -5.121 4.920 1.00 0.00 C ATOM 562 C SER A 35 8.897 -5.763 5.877 1.00 0.00 C ATOM 563 O SER A 35 8.638 -6.964 5.809 1.00 0.00 O ATOM 564 CB SER A 35 10.920 -6.162 4.460 1.00 0.00 C ATOM 565 OG SER A 35 12.201 -5.581 4.295 1.00 0.00 O ATOM 0 H SER A 35 10.552 -3.131 5.016 1.00 0.00 H new ATOM 0 HA SER A 35 9.355 -4.746 4.052 1.00 0.00 H new ATOM 0 HB2 SER A 35 10.975 -6.969 5.190 1.00 0.00 H new ATOM 0 HB3 SER A 35 10.594 -6.605 3.519 1.00 0.00 H new ATOM 0 HG SER A 35 12.836 -6.267 4.002 1.00 0.00 H new ATOM 571 N ALA A 36 8.341 -4.950 6.773 1.00 0.00 N ATOM 572 CA ALA A 36 7.372 -5.432 7.750 1.00 0.00 C ATOM 573 C ALA A 36 6.218 -6.161 7.069 1.00 0.00 C ATOM 574 O ALA A 36 5.831 -7.253 7.480 1.00 0.00 O ATOM 575 CB ALA A 36 6.847 -4.271 8.579 1.00 0.00 C ATOM 0 H ALA A 36 8.547 -3.953 6.841 1.00 0.00 H new ATOM 0 HA ALA A 36 7.875 -6.141 8.407 1.00 0.00 H new ATOM 0 HB1 ALA A 36 6.124 -4.641 9.306 1.00 0.00 H new ATOM 0 HB2 ALA A 36 7.676 -3.793 9.102 1.00 0.00 H new ATOM 0 HB3 ALA A 36 6.365 -3.545 7.924 1.00 0.00 H new ATOM 581 N TYR A 37 5.674 -5.544 6.028 1.00 0.00 N ATOM 582 CA TYR A 37 4.563 -6.126 5.289 1.00 0.00 C ATOM 583 C TYR A 37 4.599 -5.727 3.817 1.00 0.00 C ATOM 584 O TYR A 37 4.957 -4.601 3.472 1.00 0.00 O ATOM 585 CB TYR A 37 3.233 -5.696 5.911 1.00 0.00 C ATOM 586 CG TYR A 37 2.414 -6.856 6.417 1.00 0.00 C ATOM 587 CD1 TYR A 37 2.797 -7.549 7.556 1.00 0.00 C ATOM 588 CD2 TYR A 37 1.265 -7.262 5.752 1.00 0.00 C ATOM 589 CE1 TYR A 37 2.055 -8.617 8.022 1.00 0.00 C ATOM 590 CE2 TYR A 37 0.517 -8.331 6.210 1.00 0.00 C ATOM 591 CZ TYR A 37 0.916 -9.005 7.346 1.00 0.00 C ATOM 592 OH TYR A 37 0.177 -10.069 7.806 1.00 0.00 O ATOM 0 H TYR A 37 5.985 -4.639 5.676 1.00 0.00 H new ATOM 0 HA TYR A 37 4.658 -7.210 5.347 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.429 -5.011 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 37 2.653 -5.146 5.170 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.689 -7.249 8.086 1.00 0.00 H new ATOM 0 HD2 TYR A 37 0.951 -6.735 4.863 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.365 -9.146 8.911 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.374 -8.637 5.682 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.598 -9.737 8.306 1.00 0.00 H new ATOM 602 N GLN A 38 4.211 -6.663 2.958 1.00 0.00 N ATOM 603 CA GLN A 38 4.177 -6.429 1.519 1.00 0.00 C ATOM 604 C GLN A 38 3.112 -7.309 0.877 1.00 0.00 C ATOM 605 O GLN A 38 2.826 -8.401 1.369 1.00 0.00 O ATOM 606 CB GLN A 38 5.539 -6.712 0.872 1.00 0.00 C ATOM 607 CG GLN A 38 6.670 -6.954 1.863 1.00 0.00 C ATOM 608 CD GLN A 38 6.520 -8.263 2.612 1.00 0.00 C ATOM 609 OE1 GLN A 38 5.472 -8.908 2.556 1.00 0.00 O ATOM 610 NE2 GLN A 38 7.569 -8.664 3.319 1.00 0.00 N ATOM 0 H GLN A 38 3.913 -7.598 3.236 1.00 0.00 H new ATOM 0 HA GLN A 38 3.936 -5.379 1.355 1.00 0.00 H new ATOM 0 HB2 GLN A 38 5.446 -7.585 0.226 1.00 0.00 H new ATOM 0 HB3 GLN A 38 5.806 -5.870 0.234 1.00 0.00 H new ATOM 0 HG2 GLN A 38 7.621 -6.952 1.331 1.00 0.00 H new ATOM 0 HG3 GLN A 38 6.703 -6.132 2.578 1.00 0.00 H new ATOM 0 HE21 GLN A 38 8.418 -8.099 3.338 1.00 0.00 H new ATOM 0 HE22 GLN A 38 7.527 -9.538 3.844 1.00 0.00 H new ATOM 619 N GLY A 39 2.527 -6.838 -0.216 1.00 0.00 N ATOM 620 CA GLY A 39 1.502 -7.620 -0.881 1.00 0.00 C ATOM 621 C GLY A 39 1.123 -7.070 -2.238 1.00 0.00 C ATOM 622 O GLY A 39 1.971 -6.931 -3.119 1.00 0.00 O ATOM 0 H GLY A 39 2.740 -5.940 -0.650 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.853 -8.645 -0.996 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.614 -7.656 -0.250 1.00 0.00 H new ATOM 626 N ARG A 40 -0.154 -6.758 -2.404 1.00 0.00 N ATOM 627 CA ARG A 40 -0.653 -6.221 -3.657 1.00 0.00 C ATOM 628 C ARG A 40 -1.898 -5.393 -3.397 1.00 0.00 C ATOM 629 O ARG A 40 -2.495 -5.484 -2.324 1.00 0.00 O ATOM 630 CB ARG A 40 -0.960 -7.352 -4.640 1.00 0.00 C ATOM 631 CG ARG A 40 -2.157 -8.203 -4.244 1.00 0.00 C ATOM 632 CD ARG A 40 -1.754 -9.641 -3.956 1.00 0.00 C ATOM 633 NE ARG A 40 -1.097 -10.267 -5.101 1.00 0.00 N ATOM 634 CZ ARG A 40 -1.743 -10.698 -6.182 1.00 0.00 C ATOM 635 NH1 ARG A 40 -3.061 -10.569 -6.271 1.00 0.00 N ATOM 636 NH2 ARG A 40 -1.070 -11.257 -7.179 1.00 0.00 N ATOM 0 H ARG A 40 -0.865 -6.869 -1.681 1.00 0.00 H new ATOM 0 HA ARG A 40 0.113 -5.584 -4.100 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.141 -6.924 -5.626 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.083 -7.993 -4.727 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.632 -7.775 -3.362 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.897 -8.186 -5.044 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.084 -9.664 -3.097 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.639 -10.218 -3.686 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.084 -10.380 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.584 -10.138 -5.509 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.551 -10.901 -7.102 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.057 -11.357 -7.118 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.566 -11.587 -8.007 1.00 0.00 H new ATOM 650 N TYR A 41 -2.285 -4.579 -4.364 1.00 0.00 N ATOM 651 CA TYR A 41 -3.460 -3.740 -4.195 1.00 0.00 C ATOM 652 C TYR A 41 -4.316 -3.692 -5.447 1.00 0.00 C ATOM 653 O TYR A 41 -3.837 -3.899 -6.562 1.00 0.00 O ATOM 654 CB TYR A 41 -3.050 -2.319 -3.816 1.00 0.00 C ATOM 655 CG TYR A 41 -1.793 -1.844 -4.506 1.00 0.00 C ATOM 656 CD1 TYR A 41 -1.852 -1.207 -5.742 1.00 0.00 C ATOM 657 CD2 TYR A 41 -0.550 -2.038 -3.926 1.00 0.00 C ATOM 658 CE1 TYR A 41 -0.704 -0.776 -6.375 1.00 0.00 C ATOM 659 CE2 TYR A 41 0.602 -1.608 -4.553 1.00 0.00 C ATOM 660 CZ TYR A 41 0.520 -0.979 -5.777 1.00 0.00 C ATOM 661 OH TYR A 41 1.668 -0.551 -6.404 1.00 0.00 O ATOM 0 H TYR A 41 -1.811 -4.481 -5.262 1.00 0.00 H new ATOM 0 HA TYR A 41 -4.052 -4.185 -3.395 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -3.866 -1.638 -4.058 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.903 -2.269 -2.737 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.811 -1.048 -6.213 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -0.481 -2.533 -2.969 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.765 -0.282 -7.334 1.00 0.00 H new ATOM 0 HE2 TYR A 41 1.564 -1.764 -4.087 1.00 0.00 H new ATOM 0 HH TYR A 41 2.448 -0.958 -5.972 1.00 0.00 H new ATOM 671 N GLU A 42 -5.586 -3.382 -5.241 1.00 0.00 N ATOM 672 CA GLU A 42 -6.540 -3.258 -6.331 1.00 0.00 C ATOM 673 C GLU A 42 -7.103 -1.844 -6.335 1.00 0.00 C ATOM 674 O GLU A 42 -7.569 -1.359 -5.309 1.00 0.00 O ATOM 675 CB GLU A 42 -7.669 -4.280 -6.179 1.00 0.00 C ATOM 676 CG GLU A 42 -7.940 -5.076 -7.445 1.00 0.00 C ATOM 677 CD GLU A 42 -8.794 -6.302 -7.191 1.00 0.00 C ATOM 678 OE1 GLU A 42 -10.034 -6.189 -7.268 1.00 0.00 O ATOM 679 OE2 GLU A 42 -8.221 -7.378 -6.916 1.00 0.00 O ATOM 0 H GLU A 42 -5.983 -3.210 -4.317 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.035 -3.455 -7.277 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.418 -4.969 -5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.581 -3.761 -5.883 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.438 -4.435 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.992 -5.383 -7.887 1.00 0.00 H new ATOM 686 N VAL A 43 -7.036 -1.177 -7.477 1.00 0.00 N ATOM 687 CA VAL A 43 -7.518 0.194 -7.579 1.00 0.00 C ATOM 688 C VAL A 43 -8.855 0.279 -8.309 1.00 0.00 C ATOM 689 O VAL A 43 -9.007 -0.235 -9.418 1.00 0.00 O ATOM 690 CB VAL A 43 -6.478 1.089 -8.284 1.00 0.00 C ATOM 691 CG1 VAL A 43 -7.028 2.487 -8.530 1.00 0.00 C ATOM 692 CG2 VAL A 43 -5.197 1.151 -7.462 1.00 0.00 C ATOM 0 H VAL A 43 -6.655 -1.559 -8.343 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.669 0.553 -6.561 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.252 0.648 -9.255 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.271 3.093 -9.028 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.915 2.423 -9.161 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.292 2.947 -7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.470 1.785 -7.969 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.416 1.565 -6.478 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.787 0.147 -7.350 1.00 0.00 H new ATOM 702 N ARG A 44 -9.816 0.939 -7.671 1.00 0.00 N ATOM 703 CA ARG A 44 -11.147 1.110 -8.243 1.00 0.00 C ATOM 704 C ARG A 44 -11.678 2.514 -7.960 1.00 0.00 C ATOM 705 O ARG A 44 -12.140 2.801 -6.857 1.00 0.00 O ATOM 706 CB ARG A 44 -12.106 0.069 -7.668 1.00 0.00 C ATOM 707 CG ARG A 44 -11.547 -1.344 -7.676 1.00 0.00 C ATOM 708 CD ARG A 44 -12.627 -2.370 -7.981 1.00 0.00 C ATOM 709 NE ARG A 44 -12.067 -3.692 -8.249 1.00 0.00 N ATOM 710 CZ ARG A 44 -12.725 -4.661 -8.881 1.00 0.00 C ATOM 711 NH1 ARG A 44 -13.965 -4.464 -9.307 1.00 0.00 N ATOM 712 NH2 ARG A 44 -12.139 -5.835 -9.086 1.00 0.00 N ATOM 0 H ARG A 44 -9.697 1.366 -6.753 1.00 0.00 H new ATOM 0 HA ARG A 44 -11.076 0.974 -9.322 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -12.357 0.345 -6.644 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -13.034 0.087 -8.240 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -10.753 -1.418 -8.419 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -11.098 -1.564 -6.707 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.316 -2.432 -7.139 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.207 -2.040 -8.843 1.00 0.00 H new ATOM 0 HE ARG A 44 -11.116 -3.884 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -14.421 -3.565 -9.151 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -14.463 -5.211 -9.791 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.186 -5.993 -8.759 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -12.642 -6.579 -9.570 1.00 0.00 H new ATOM 726 N GLY A 45 -11.608 3.386 -8.962 1.00 0.00 N ATOM 727 CA GLY A 45 -12.085 4.748 -8.792 1.00 0.00 C ATOM 728 C GLY A 45 -11.378 5.467 -7.659 1.00 0.00 C ATOM 729 O GLY A 45 -12.011 6.164 -6.866 1.00 0.00 O ATOM 0 H GLY A 45 -11.231 3.175 -9.886 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -11.937 5.301 -9.719 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -13.157 4.734 -8.597 1.00 0.00 H new ATOM 733 N ALA A 46 -10.058 5.286 -7.583 1.00 0.00 N ATOM 734 CA ALA A 46 -9.242 5.908 -6.540 1.00 0.00 C ATOM 735 C ALA A 46 -9.303 5.121 -5.231 1.00 0.00 C ATOM 736 O ALA A 46 -8.571 5.419 -4.289 1.00 0.00 O ATOM 737 CB ALA A 46 -9.652 7.356 -6.309 1.00 0.00 C ATOM 0 H ALA A 46 -9.529 4.709 -8.237 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.210 5.895 -6.891 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.028 7.791 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -9.526 7.922 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -10.697 7.394 -6.001 1.00 0.00 H new ATOM 743 N HIS A 47 -10.161 4.103 -5.181 1.00 0.00 N ATOM 744 CA HIS A 47 -10.283 3.274 -3.988 1.00 0.00 C ATOM 745 C HIS A 47 -9.383 2.056 -4.125 1.00 0.00 C ATOM 746 O HIS A 47 -9.455 1.335 -5.119 1.00 0.00 O ATOM 747 CB HIS A 47 -11.737 2.840 -3.784 1.00 0.00 C ATOM 748 CG HIS A 47 -12.378 3.445 -2.573 1.00 0.00 C ATOM 749 ND1 HIS A 47 -12.480 4.806 -2.375 1.00 0.00 N ATOM 750 CD2 HIS A 47 -12.955 2.865 -1.493 1.00 0.00 C ATOM 751 CE1 HIS A 47 -13.089 5.037 -1.226 1.00 0.00 C ATOM 752 NE2 HIS A 47 -13.388 3.876 -0.672 1.00 0.00 N ATOM 0 H HIS A 47 -10.777 3.835 -5.949 1.00 0.00 H new ATOM 0 HA HIS A 47 -9.975 3.853 -3.117 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -12.316 3.113 -4.666 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -11.775 1.754 -3.701 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -13.055 1.805 -1.312 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -13.306 6.010 -0.810 1.00 0.00 H new ATOM 0 HE2 HIS A 47 -13.864 3.751 0.222 1.00 0.00 H new ATOM 761 N ILE A 48 -8.518 1.835 -3.141 1.00 0.00 N ATOM 762 CA ILE A 48 -7.600 0.705 -3.202 1.00 0.00 C ATOM 763 C ILE A 48 -7.524 -0.040 -1.876 1.00 0.00 C ATOM 764 O ILE A 48 -7.646 0.549 -0.806 1.00 0.00 O ATOM 765 CB ILE A 48 -6.181 1.155 -3.649 1.00 0.00 C ATOM 766 CG1 ILE A 48 -5.077 0.260 -3.051 1.00 0.00 C ATOM 767 CG2 ILE A 48 -5.939 2.617 -3.293 1.00 0.00 C ATOM 768 CD1 ILE A 48 -4.556 0.727 -1.704 1.00 0.00 C ATOM 0 H ILE A 48 -8.434 2.413 -2.305 1.00 0.00 H new ATOM 0 HA ILE A 48 -7.998 0.017 -3.948 1.00 0.00 H new ATOM 0 HB ILE A 48 -6.136 1.049 -4.733 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -5.464 -0.754 -2.946 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.244 0.212 -3.753 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -4.940 2.909 -3.615 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -6.679 3.241 -3.794 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -6.025 2.748 -2.214 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.783 0.042 -1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.136 1.728 -1.804 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -5.374 0.747 -0.984 1.00 0.00 H new ATOM 780 N ASN A 49 -7.305 -1.345 -1.973 1.00 0.00 N ATOM 781 CA ASN A 49 -7.189 -2.202 -0.802 1.00 0.00 C ATOM 782 C ASN A 49 -6.001 -3.146 -0.967 1.00 0.00 C ATOM 783 O ASN A 49 -5.694 -3.579 -2.077 1.00 0.00 O ATOM 784 CB ASN A 49 -8.477 -3.006 -0.587 1.00 0.00 C ATOM 785 CG ASN A 49 -9.650 -2.480 -1.396 1.00 0.00 C ATOM 786 OD1 ASN A 49 -10.208 -3.187 -2.235 1.00 0.00 O ATOM 787 ND2 ASN A 49 -10.028 -1.232 -1.147 1.00 0.00 N ATOM 0 H ASN A 49 -7.203 -1.836 -2.861 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.029 -1.574 0.074 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -8.297 -4.047 -0.854 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -8.737 -2.989 0.472 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -10.809 -0.824 -1.660 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.537 -0.681 -0.443 1.00 0.00 H new ATOM 794 N TYR A 50 -5.329 -3.456 0.137 1.00 0.00 N ATOM 795 CA TYR A 50 -4.169 -4.339 0.104 1.00 0.00 C ATOM 796 C TYR A 50 -4.555 -5.761 0.482 1.00 0.00 C ATOM 797 O TYR A 50 -4.977 -6.011 1.606 1.00 0.00 O ATOM 798 CB TYR A 50 -3.104 -3.838 1.080 1.00 0.00 C ATOM 799 CG TYR A 50 -2.513 -2.490 0.726 1.00 0.00 C ATOM 800 CD1 TYR A 50 -1.916 -2.272 -0.508 1.00 0.00 C ATOM 801 CD2 TYR A 50 -2.553 -1.437 1.631 1.00 0.00 C ATOM 802 CE1 TYR A 50 -1.375 -1.040 -0.830 1.00 0.00 C ATOM 803 CE2 TYR A 50 -2.015 -0.203 1.317 1.00 0.00 C ATOM 804 CZ TYR A 50 -1.428 -0.011 0.085 1.00 0.00 C ATOM 805 OH TYR A 50 -0.891 1.216 -0.233 1.00 0.00 O ATOM 0 H TYR A 50 -5.568 -3.109 1.066 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.775 -4.337 -0.912 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.542 -3.778 2.076 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -2.300 -4.572 1.129 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.873 -3.076 -1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.013 -1.585 2.597 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.913 -0.885 -1.794 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -2.054 0.605 2.032 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.011 1.831 0.521 1.00 0.00 H new ATOM 815 N TRP A 51 -4.391 -6.694 -0.447 1.00 0.00 N ATOM 816 CA TRP A 51 -4.704 -8.090 -0.176 1.00 0.00 C ATOM 817 C TRP A 51 -3.417 -8.902 -0.094 1.00 0.00 C ATOM 818 O TRP A 51 -2.916 -9.401 -1.100 1.00 0.00 O ATOM 819 CB TRP A 51 -5.644 -8.661 -1.243 1.00 0.00 C ATOM 820 CG TRP A 51 -5.820 -10.147 -1.154 1.00 0.00 C ATOM 821 CD1 TRP A 51 -6.308 -10.853 -0.093 1.00 0.00 C ATOM 822 CD2 TRP A 51 -5.513 -11.112 -2.169 1.00 0.00 C ATOM 823 NE1 TRP A 51 -6.322 -12.196 -0.383 1.00 0.00 N ATOM 824 CE2 TRP A 51 -5.837 -12.379 -1.652 1.00 0.00 C ATOM 825 CE3 TRP A 51 -4.995 -11.026 -3.464 1.00 0.00 C ATOM 826 CZ2 TRP A 51 -5.661 -13.551 -2.385 1.00 0.00 C ATOM 827 CZ3 TRP A 51 -4.818 -12.188 -4.190 1.00 0.00 C ATOM 828 CH2 TRP A 51 -5.152 -13.437 -3.650 1.00 0.00 C ATOM 0 H TRP A 51 -4.045 -6.511 -1.389 1.00 0.00 H new ATOM 0 HA TRP A 51 -5.220 -8.152 0.782 1.00 0.00 H new ATOM 0 HB2 TRP A 51 -6.619 -8.182 -1.151 1.00 0.00 H new ATOM 0 HB3 TRP A 51 -5.257 -8.408 -2.230 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -6.636 -10.419 0.840 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -6.641 -12.935 0.243 1.00 0.00 H new ATOM 0 HE3 TRP A 51 -4.737 -10.068 -3.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -5.917 -14.514 -1.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 -4.415 -12.133 -5.191 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -5.005 -14.327 -4.244 1.00 0.00 H new ATOM 839 N ASP A 52 -2.879 -9.009 1.117 1.00 0.00 N ATOM 840 CA ASP A 52 -1.635 -9.739 1.340 1.00 0.00 C ATOM 841 C ASP A 52 -1.823 -11.240 1.181 1.00 0.00 C ATOM 842 O ASP A 52 -2.923 -11.766 1.350 1.00 0.00 O ATOM 843 CB ASP A 52 -1.082 -9.443 2.733 1.00 0.00 C ATOM 844 CG ASP A 52 -0.393 -8.094 2.805 1.00 0.00 C ATOM 845 OD1 ASP A 52 -1.064 -7.070 2.558 1.00 0.00 O ATOM 846 OD2 ASP A 52 0.818 -8.061 3.106 1.00 0.00 O ATOM 0 H ASP A 52 -3.284 -8.600 1.959 1.00 0.00 H new ATOM 0 HA ASP A 52 -0.926 -9.401 0.584 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.895 -9.472 3.458 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.376 -10.224 3.015 1.00 0.00 H new ATOM 851 N ASP A 53 -0.729 -11.923 0.866 1.00 0.00 N ATOM 852 CA ASP A 53 -0.748 -13.368 0.692 1.00 0.00 C ATOM 853 C ASP A 53 -0.580 -14.084 2.033 1.00 0.00 C ATOM 854 O ASP A 53 -0.794 -15.292 2.127 1.00 0.00 O ATOM 855 CB ASP A 53 0.359 -13.800 -0.271 1.00 0.00 C ATOM 856 CG ASP A 53 -0.078 -14.931 -1.183 1.00 0.00 C ATOM 857 OD1 ASP A 53 -1.284 -15.009 -1.497 1.00 0.00 O ATOM 858 OD2 ASP A 53 0.787 -15.739 -1.583 1.00 0.00 O ATOM 0 H ASP A 53 0.186 -11.495 0.726 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.715 -13.645 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.664 -12.946 -0.876 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.232 -14.114 0.301 1.00 0.00 H new ATOM 863 N THR A 54 -0.190 -13.338 3.069 1.00 0.00 N ATOM 864 CA THR A 54 0.009 -13.921 4.393 1.00 0.00 C ATOM 865 C THR A 54 -1.263 -13.870 5.235 1.00 0.00 C ATOM 866 O THR A 54 -1.209 -13.914 6.464 1.00 0.00 O ATOM 867 CB THR A 54 1.158 -13.223 5.124 1.00 0.00 C ATOM 868 OG1 THR A 54 1.439 -13.874 6.351 1.00 0.00 O ATOM 869 CG2 THR A 54 0.881 -11.768 5.431 1.00 0.00 C ATOM 0 H THR A 54 -0.007 -12.336 3.015 1.00 0.00 H new ATOM 0 HA THR A 54 0.267 -14.970 4.248 1.00 0.00 H new ATOM 0 HB THR A 54 2.007 -13.277 4.442 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.603 -14.032 6.837 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.737 -11.336 5.949 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.709 -11.226 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.003 -11.692 6.064 1.00 0.00 H new ATOM 877 N GLY A 55 -2.405 -13.811 4.563 1.00 0.00 N ATOM 878 CA GLY A 55 -3.681 -13.796 5.256 1.00 0.00 C ATOM 879 C GLY A 55 -4.091 -12.439 5.810 1.00 0.00 C ATOM 880 O GLY A 55 -4.900 -12.378 6.736 1.00 0.00 O ATOM 0 H GLY A 55 -2.472 -13.773 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.455 -14.142 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.641 -14.511 6.078 1.00 0.00 H new ATOM 884 N PHE A 56 -3.567 -11.349 5.252 1.00 0.00 N ATOM 885 CA PHE A 56 -3.936 -10.025 5.721 1.00 0.00 C ATOM 886 C PHE A 56 -4.562 -9.232 4.589 1.00 0.00 C ATOM 887 O PHE A 56 -4.407 -9.568 3.416 1.00 0.00 O ATOM 888 CB PHE A 56 -2.706 -9.290 6.285 1.00 0.00 C ATOM 889 CG PHE A 56 -2.695 -7.794 6.057 1.00 0.00 C ATOM 890 CD1 PHE A 56 -2.655 -7.270 4.772 1.00 0.00 C ATOM 891 CD2 PHE A 56 -2.739 -6.918 7.128 1.00 0.00 C ATOM 892 CE1 PHE A 56 -2.658 -5.901 4.562 1.00 0.00 C ATOM 893 CE2 PHE A 56 -2.739 -5.550 6.926 1.00 0.00 C ATOM 894 CZ PHE A 56 -2.700 -5.042 5.641 1.00 0.00 C ATOM 0 H PHE A 56 -2.895 -11.360 4.485 1.00 0.00 H new ATOM 0 HA PHE A 56 -4.667 -10.126 6.523 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -2.648 -9.479 7.357 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -1.809 -9.717 5.837 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -2.621 -7.939 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -2.774 -7.308 8.134 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.628 -5.507 3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.769 -4.879 7.772 1.00 0.00 H new ATOM 0 HZ PHE A 56 -2.702 -3.974 5.482 1.00 0.00 H new ATOM 904 N THR A 57 -5.241 -8.160 4.951 1.00 0.00 N ATOM 905 CA THR A 57 -5.861 -7.291 3.967 1.00 0.00 C ATOM 906 C THR A 57 -6.112 -5.903 4.545 1.00 0.00 C ATOM 907 O THR A 57 -6.493 -5.760 5.707 1.00 0.00 O ATOM 908 CB THR A 57 -7.168 -7.881 3.418 1.00 0.00 C ATOM 909 OG1 THR A 57 -8.295 -7.199 3.941 1.00 0.00 O ATOM 910 CG2 THR A 57 -7.362 -9.359 3.703 1.00 0.00 C ATOM 0 H THR A 57 -5.378 -7.869 5.919 1.00 0.00 H new ATOM 0 HA THR A 57 -5.161 -7.205 3.136 1.00 0.00 H new ATOM 0 HB THR A 57 -7.083 -7.753 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.114 -7.593 3.575 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.310 -9.690 3.279 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.546 -9.926 3.254 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.369 -9.524 4.780 1.00 0.00 H new ATOM 918 N ALA A 58 -5.900 -4.884 3.721 1.00 0.00 N ATOM 919 CA ALA A 58 -6.102 -3.511 4.128 1.00 0.00 C ATOM 920 C ALA A 58 -7.033 -2.811 3.152 1.00 0.00 C ATOM 921 O ALA A 58 -7.477 -3.398 2.168 1.00 0.00 O ATOM 922 CB ALA A 58 -4.768 -2.782 4.219 1.00 0.00 C ATOM 0 H ALA A 58 -5.585 -4.992 2.757 1.00 0.00 H new ATOM 0 HA ALA A 58 -6.563 -3.500 5.116 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.938 -1.750 4.526 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -4.131 -3.279 4.951 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -4.279 -2.795 3.245 1.00 0.00 H new ATOM 928 N ASP A 59 -7.320 -1.556 3.435 1.00 0.00 N ATOM 929 CA ASP A 59 -8.203 -0.761 2.588 1.00 0.00 C ATOM 930 C ASP A 59 -7.814 0.714 2.614 1.00 0.00 C ATOM 931 O ASP A 59 -7.327 1.220 3.625 1.00 0.00 O ATOM 932 CB ASP A 59 -9.657 -0.925 3.038 1.00 0.00 C ATOM 933 CG ASP A 59 -10.640 -0.713 1.904 1.00 0.00 C ATOM 934 OD1 ASP A 59 -10.697 0.418 1.372 1.00 0.00 O ATOM 935 OD2 ASP A 59 -11.353 -1.673 1.547 1.00 0.00 O ATOM 0 H ASP A 59 -6.956 -1.058 4.247 1.00 0.00 H new ATOM 0 HA ASP A 59 -8.100 -1.122 1.565 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.796 -1.923 3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.870 -0.215 3.837 1.00 0.00 H new ATOM 940 N GLY A 60 -8.033 1.396 1.494 1.00 0.00 N ATOM 941 CA GLY A 60 -7.702 2.806 1.405 1.00 0.00 C ATOM 942 C GLY A 60 -8.337 3.470 0.199 1.00 0.00 C ATOM 943 O GLY A 60 -9.141 2.857 -0.504 1.00 0.00 O ATOM 0 H GLY A 60 -8.434 0.996 0.646 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.032 3.313 2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.619 2.920 1.352 1.00 0.00 H new ATOM 947 N ASP A 61 -7.979 4.726 -0.044 1.00 0.00 N ATOM 948 CA ASP A 61 -8.521 5.470 -1.176 1.00 0.00 C ATOM 949 C ASP A 61 -7.744 6.761 -1.407 1.00 0.00 C ATOM 950 O ASP A 61 -7.522 7.539 -0.480 1.00 0.00 O ATOM 951 CB ASP A 61 -9.999 5.786 -0.942 1.00 0.00 C ATOM 952 CG ASP A 61 -10.249 6.407 0.419 1.00 0.00 C ATOM 953 OD1 ASP A 61 -10.139 5.684 1.431 1.00 0.00 O ATOM 954 OD2 ASP A 61 -10.555 7.617 0.472 1.00 0.00 O ATOM 0 H ASP A 61 -7.316 5.250 0.527 1.00 0.00 H new ATOM 0 HA ASP A 61 -8.423 4.848 -2.066 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -10.350 6.466 -1.718 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.582 4.870 -1.033 1.00 0.00 H new ATOM 959 N PHE A 62 -7.339 6.987 -2.654 1.00 0.00 N ATOM 960 CA PHE A 62 -6.591 8.184 -3.008 1.00 0.00 C ATOM 961 C PHE A 62 -7.477 9.419 -2.925 1.00 0.00 C ATOM 962 O PHE A 62 -8.381 9.608 -3.738 1.00 0.00 O ATOM 963 CB PHE A 62 -6.013 8.073 -4.420 1.00 0.00 C ATOM 964 CG PHE A 62 -5.256 6.798 -4.693 1.00 0.00 C ATOM 965 CD1 PHE A 62 -4.748 6.024 -3.659 1.00 0.00 C ATOM 966 CD2 PHE A 62 -5.048 6.381 -5.998 1.00 0.00 C ATOM 967 CE1 PHE A 62 -4.049 4.862 -3.924 1.00 0.00 C ATOM 968 CE2 PHE A 62 -4.350 5.219 -6.267 1.00 0.00 C ATOM 969 CZ PHE A 62 -3.850 4.459 -5.229 1.00 0.00 C ATOM 0 H PHE A 62 -7.518 6.355 -3.435 1.00 0.00 H new ATOM 0 HA PHE A 62 -5.772 8.280 -2.295 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -6.828 8.157 -5.139 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -5.347 8.919 -4.593 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.901 6.334 -2.636 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -5.436 6.971 -6.815 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.658 4.269 -3.110 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -4.196 4.906 -7.289 1.00 0.00 H new ATOM 0 HZ PHE A 62 -3.304 3.551 -5.438 1.00 0.00 H new ATOM 979 N VAL A 63 -7.201 10.258 -1.941 1.00 0.00 N ATOM 980 CA VAL A 63 -7.963 11.488 -1.746 1.00 0.00 C ATOM 981 C VAL A 63 -7.420 12.617 -2.619 1.00 0.00 C ATOM 982 O VAL A 63 -8.101 13.616 -2.848 1.00 0.00 O ATOM 983 CB VAL A 63 -7.949 11.948 -0.275 1.00 0.00 C ATOM 984 CG1 VAL A 63 -8.972 11.173 0.537 1.00 0.00 C ATOM 985 CG2 VAL A 63 -6.557 11.805 0.325 1.00 0.00 C ATOM 0 H VAL A 63 -6.454 10.113 -1.262 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.990 11.262 -2.034 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.220 13.003 -0.245 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -8.947 11.512 1.573 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.967 11.341 0.124 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.737 10.109 0.498 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.573 12.136 1.363 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.248 10.761 0.281 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.853 12.416 -0.240 1.00 0.00 H new ATOM 995 N SER A 64 -6.192 12.454 -3.102 1.00 0.00 N ATOM 996 CA SER A 64 -5.564 13.463 -3.945 1.00 0.00 C ATOM 997 C SER A 64 -4.640 12.816 -4.971 1.00 0.00 C ATOM 998 O SER A 64 -4.684 11.604 -5.182 1.00 0.00 O ATOM 999 CB SER A 64 -4.779 14.457 -3.086 1.00 0.00 C ATOM 1000 OG SER A 64 -4.806 15.755 -3.656 1.00 0.00 O ATOM 0 H SER A 64 -5.613 11.633 -2.924 1.00 0.00 H new ATOM 0 HA SER A 64 -6.350 13.997 -4.479 1.00 0.00 H new ATOM 0 HB2 SER A 64 -5.202 14.488 -2.082 1.00 0.00 H new ATOM 0 HB3 SER A 64 -3.747 14.121 -2.987 1.00 0.00 H new ATOM 0 HG SER A 64 -4.299 16.372 -3.088 1.00 0.00 H new ATOM 1006 N ALA A 65 -3.805 13.630 -5.605 1.00 0.00 N ATOM 1007 CA ALA A 65 -2.870 13.137 -6.609 1.00 0.00 C ATOM 1008 C ALA A 65 -1.591 12.617 -5.964 1.00 0.00 C ATOM 1009 O ALA A 65 -0.915 11.749 -6.516 1.00 0.00 O ATOM 1010 CB ALA A 65 -2.550 14.233 -7.614 1.00 0.00 C ATOM 0 H ALA A 65 -3.756 14.636 -5.442 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.343 12.306 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.851 13.852 -8.358 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.467 14.553 -8.108 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.102 15.082 -7.097 1.00 0.00 H new ATOM 1016 N ASN A 66 -1.257 13.155 -4.792 1.00 0.00 N ATOM 1017 CA ASN A 66 -0.052 12.743 -4.079 1.00 0.00 C ATOM 1018 C ASN A 66 -0.368 12.296 -2.649 1.00 0.00 C ATOM 1019 O ASN A 66 0.535 11.930 -1.898 1.00 0.00 O ATOM 1020 CB ASN A 66 0.964 13.888 -4.053 1.00 0.00 C ATOM 1021 CG ASN A 66 2.079 13.712 -5.073 1.00 0.00 C ATOM 1022 OD1 ASN A 66 3.209 14.148 -4.847 1.00 0.00 O ATOM 1023 ND2 ASN A 66 1.775 13.074 -6.203 1.00 0.00 N ATOM 0 H ASN A 66 -1.803 13.875 -4.318 1.00 0.00 H new ATOM 0 HA ASN A 66 0.373 11.892 -4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 66 0.448 14.829 -4.244 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.398 13.959 -3.056 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.490 12.932 -6.917 1.00 0.00 H new ATOM 0 HD22 ASN A 66 0.828 12.727 -6.354 1.00 0.00 H new ATOM 1030 N GLU A 67 -1.647 12.324 -2.276 1.00 0.00 N ATOM 1031 CA GLU A 67 -2.051 11.918 -0.934 1.00 0.00 C ATOM 1032 C GLU A 67 -2.756 10.565 -0.968 1.00 0.00 C ATOM 1033 O GLU A 67 -3.440 10.233 -1.936 1.00 0.00 O ATOM 1034 CB GLU A 67 -2.967 12.972 -0.309 1.00 0.00 C ATOM 1035 CG GLU A 67 -2.682 13.232 1.160 1.00 0.00 C ATOM 1036 CD GLU A 67 -3.255 14.550 1.641 1.00 0.00 C ATOM 1037 OE1 GLU A 67 -3.531 15.423 0.791 1.00 0.00 O ATOM 1038 OE2 GLU A 67 -3.428 14.712 2.867 1.00 0.00 O ATOM 0 H GLU A 67 -2.414 12.621 -2.879 1.00 0.00 H new ATOM 0 HA GLU A 67 -1.153 11.826 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.862 13.906 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -4.003 12.651 -0.418 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -3.098 12.420 1.756 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.604 13.227 1.323 1.00 0.00 H new ATOM 1045 N LEU A 68 -2.577 9.786 0.094 1.00 0.00 N ATOM 1046 CA LEU A 68 -3.184 8.466 0.188 1.00 0.00 C ATOM 1047 C LEU A 68 -3.883 8.298 1.530 1.00 0.00 C ATOM 1048 O LEU A 68 -3.391 8.766 2.558 1.00 0.00 O ATOM 1049 CB LEU A 68 -2.098 7.392 -0.017 1.00 0.00 C ATOM 1050 CG LEU A 68 -2.361 5.985 0.553 1.00 0.00 C ATOM 1051 CD1 LEU A 68 -2.606 5.996 2.054 1.00 0.00 C ATOM 1052 CD2 LEU A 68 -3.520 5.327 -0.174 1.00 0.00 C ATOM 0 H LEU A 68 -2.014 10.049 0.903 1.00 0.00 H new ATOM 0 HA LEU A 68 -3.938 8.353 -0.591 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -1.924 7.292 -1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.172 7.764 0.423 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.456 5.400 0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -2.786 4.978 2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.732 6.404 2.562 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.476 6.614 2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -3.693 4.334 0.241 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -4.418 5.933 -0.051 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -3.283 5.241 -1.234 1.00 0.00 H new ATOM 1064 N HIS A 69 -5.021 7.617 1.517 1.00 0.00 N ATOM 1065 CA HIS A 69 -5.775 7.377 2.740 1.00 0.00 C ATOM 1066 C HIS A 69 -6.058 5.891 2.918 1.00 0.00 C ATOM 1067 O HIS A 69 -6.885 5.318 2.209 1.00 0.00 O ATOM 1068 CB HIS A 69 -7.092 8.148 2.728 1.00 0.00 C ATOM 1069 CG HIS A 69 -7.003 9.508 3.349 1.00 0.00 C ATOM 1070 ND1 HIS A 69 -8.112 10.261 3.670 1.00 0.00 N ATOM 1071 CD2 HIS A 69 -5.930 10.250 3.714 1.00 0.00 C ATOM 1072 CE1 HIS A 69 -7.726 11.408 4.202 1.00 0.00 C ATOM 1073 NE2 HIS A 69 -6.408 11.425 4.240 1.00 0.00 N ATOM 0 H HIS A 69 -5.441 7.222 0.676 1.00 0.00 H new ATOM 0 HA HIS A 69 -5.168 7.726 3.575 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -7.432 8.251 1.698 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -7.847 7.566 3.256 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -4.892 9.970 3.611 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -8.379 12.196 4.547 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.836 12.188 4.602 1.00 0.00 H new ATOM 1082 N HIS A 70 -5.377 5.271 3.872 1.00 0.00 N ATOM 1083 CA HIS A 70 -5.574 3.851 4.139 1.00 0.00 C ATOM 1084 C HIS A 70 -5.468 3.562 5.634 1.00 0.00 C ATOM 1085 O HIS A 70 -4.573 4.067 6.311 1.00 0.00 O ATOM 1086 CB HIS A 70 -4.570 3.006 3.339 1.00 0.00 C ATOM 1087 CG HIS A 70 -3.381 2.542 4.125 1.00 0.00 C ATOM 1088 ND1 HIS A 70 -3.260 1.263 4.624 1.00 0.00 N ATOM 1089 CD2 HIS A 70 -2.257 3.197 4.494 1.00 0.00 C ATOM 1090 CE1 HIS A 70 -2.112 1.151 5.269 1.00 0.00 C ATOM 1091 NE2 HIS A 70 -1.484 2.309 5.204 1.00 0.00 N ATOM 0 H HIS A 70 -4.687 5.725 4.471 1.00 0.00 H new ATOM 0 HA HIS A 70 -6.578 3.576 3.816 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -5.087 2.134 2.938 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -4.221 3.590 2.487 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.012 4.225 4.272 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.750 0.263 5.765 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.573 2.513 5.614 1.00 0.00 H new ATOM 1100 N GLY A 71 -6.393 2.755 6.144 1.00 0.00 N ATOM 1101 CA GLY A 71 -6.390 2.427 7.556 1.00 0.00 C ATOM 1102 C GLY A 71 -6.471 3.665 8.428 1.00 0.00 C ATOM 1103 O GLY A 71 -6.083 3.638 9.598 1.00 0.00 O ATOM 0 H GLY A 71 -7.143 2.323 5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -7.233 1.772 7.778 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -5.483 1.873 7.797 1.00 0.00 H new ATOM 1107 N GLY A 72 -6.972 4.756 7.855 1.00 0.00 N ATOM 1108 CA GLY A 72 -7.091 5.997 8.593 1.00 0.00 C ATOM 1109 C GLY A 72 -5.780 6.755 8.669 1.00 0.00 C ATOM 1110 O GLY A 72 -5.588 7.583 9.558 1.00 0.00 O ATOM 0 H GLY A 72 -7.298 4.800 6.890 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -7.844 6.627 8.120 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -7.443 5.784 9.602 1.00 0.00 H new ATOM 1114 N MET A 73 -4.871 6.469 7.740 1.00 0.00 N ATOM 1115 CA MET A 73 -3.576 7.127 7.714 1.00 0.00 C ATOM 1116 C MET A 73 -3.448 8.034 6.498 1.00 0.00 C ATOM 1117 O MET A 73 -4.214 7.923 5.543 1.00 0.00 O ATOM 1118 CB MET A 73 -2.467 6.078 7.691 1.00 0.00 C ATOM 1119 CG MET A 73 -1.841 5.831 9.051 1.00 0.00 C ATOM 1120 SD MET A 73 -2.826 4.724 10.079 1.00 0.00 S ATOM 1121 CE MET A 73 -2.172 5.100 11.704 1.00 0.00 C ATOM 0 H MET A 73 -5.012 5.785 6.997 1.00 0.00 H new ATOM 0 HA MET A 73 -3.485 7.740 8.611 1.00 0.00 H new ATOM 0 HB2 MET A 73 -2.872 5.140 7.310 1.00 0.00 H new ATOM 0 HB3 MET A 73 -1.691 6.396 6.995 1.00 0.00 H new ATOM 0 HG2 MET A 73 -0.846 5.407 8.917 1.00 0.00 H new ATOM 0 HG3 MET A 73 -1.715 6.783 9.567 1.00 0.00 H new ATOM 0 HE1 MET A 73 -2.683 4.493 12.451 1.00 0.00 H new ATOM 0 HE2 MET A 73 -1.104 4.881 11.726 1.00 0.00 H new ATOM 0 HE3 MET A 73 -2.330 6.156 11.925 1.00 0.00 H new ATOM 1131 N THR A 74 -2.458 8.918 6.535 1.00 0.00 N ATOM 1132 CA THR A 74 -2.210 9.831 5.430 1.00 0.00 C ATOM 1133 C THR A 74 -0.824 9.577 4.852 1.00 0.00 C ATOM 1134 O THR A 74 0.188 9.900 5.473 1.00 0.00 O ATOM 1135 CB THR A 74 -2.329 11.285 5.888 1.00 0.00 C ATOM 1136 OG1 THR A 74 -3.472 11.459 6.708 1.00 0.00 O ATOM 1137 CG2 THR A 74 -2.433 12.264 4.739 1.00 0.00 C ATOM 0 H THR A 74 -1.814 9.021 7.320 1.00 0.00 H new ATOM 0 HA THR A 74 -2.960 9.654 4.659 1.00 0.00 H new ATOM 0 HB THR A 74 -1.413 11.493 6.440 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.531 12.395 6.993 1.00 0.00 H new ATOM 0 HG21 THR A 74 -2.515 13.278 5.131 1.00 0.00 H new ATOM 0 HG22 THR A 74 -1.543 12.187 4.114 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.316 12.033 4.143 1.00 0.00 H new ATOM 1145 N PHE A 75 -0.789 8.981 3.670 1.00 0.00 N ATOM 1146 CA PHE A 75 0.472 8.662 3.014 1.00 0.00 C ATOM 1147 C PHE A 75 0.705 9.550 1.796 1.00 0.00 C ATOM 1148 O PHE A 75 -0.140 9.638 0.905 1.00 0.00 O ATOM 1149 CB PHE A 75 0.473 7.190 2.606 1.00 0.00 C ATOM 1150 CG PHE A 75 0.879 6.263 3.709 1.00 0.00 C ATOM 1151 CD1 PHE A 75 2.213 5.988 3.948 1.00 0.00 C ATOM 1152 CD2 PHE A 75 -0.082 5.668 4.508 1.00 0.00 C ATOM 1153 CE1 PHE A 75 2.584 5.134 4.968 1.00 0.00 C ATOM 1154 CE2 PHE A 75 0.281 4.811 5.529 1.00 0.00 C ATOM 1155 CZ PHE A 75 1.617 4.544 5.760 1.00 0.00 C ATOM 0 H PHE A 75 -1.619 8.708 3.144 1.00 0.00 H new ATOM 0 HA PHE A 75 1.285 8.847 3.716 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -0.524 6.916 2.261 1.00 0.00 H new ATOM 0 HB3 PHE A 75 1.150 7.056 1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 75 2.972 6.446 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.127 5.876 4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 75 3.629 4.927 5.147 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.477 4.351 6.145 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.905 3.876 6.558 1.00 0.00 H new ATOM 1165 N TYR A 76 1.861 10.205 1.763 1.00 0.00 N ATOM 1166 CA TYR A 76 2.211 11.085 0.653 1.00 0.00 C ATOM 1167 C TYR A 76 3.202 10.400 -0.277 1.00 0.00 C ATOM 1168 O TYR A 76 4.030 9.604 0.164 1.00 0.00 O ATOM 1169 CB TYR A 76 2.799 12.396 1.174 1.00 0.00 C ATOM 1170 CG TYR A 76 1.953 13.046 2.243 1.00 0.00 C ATOM 1171 CD1 TYR A 76 1.967 12.572 3.547 1.00 0.00 C ATOM 1172 CD2 TYR A 76 1.139 14.130 1.945 1.00 0.00 C ATOM 1173 CE1 TYR A 76 1.190 13.160 4.527 1.00 0.00 C ATOM 1174 CE2 TYR A 76 0.359 14.725 2.919 1.00 0.00 C ATOM 1175 CZ TYR A 76 0.388 14.236 4.208 1.00 0.00 C ATOM 1176 OH TYR A 76 -0.387 14.825 5.182 1.00 0.00 O ATOM 0 H TYR A 76 2.572 10.143 2.492 1.00 0.00 H new ATOM 0 HA TYR A 76 1.303 11.308 0.093 1.00 0.00 H new ATOM 0 HB2 TYR A 76 3.795 12.206 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 76 2.917 13.090 0.342 1.00 0.00 H new ATOM 0 HD1 TYR A 76 2.595 11.730 3.800 1.00 0.00 H new ATOM 0 HD2 TYR A 76 1.115 14.515 0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.211 12.779 5.537 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -0.269 15.568 2.672 1.00 0.00 H new ATOM 0 HH TYR A 76 -0.891 15.570 4.793 1.00 0.00 H new ATOM 1186 N ARG A 77 3.106 10.701 -1.566 1.00 0.00 N ATOM 1187 CA ARG A 77 3.993 10.094 -2.550 1.00 0.00 C ATOM 1188 C ARG A 77 5.397 10.674 -2.488 1.00 0.00 C ATOM 1189 O ARG A 77 5.585 11.890 -2.514 1.00 0.00 O ATOM 1190 CB ARG A 77 3.456 10.273 -3.961 1.00 0.00 C ATOM 1191 CG ARG A 77 3.977 9.239 -4.944 1.00 0.00 C ATOM 1192 CD ARG A 77 3.137 7.974 -4.926 1.00 0.00 C ATOM 1193 NE ARG A 77 2.324 7.843 -6.132 1.00 0.00 N ATOM 1194 CZ ARG A 77 2.815 7.504 -7.322 1.00 0.00 C ATOM 1195 NH1 ARG A 77 4.114 7.279 -7.473 1.00 0.00 N ATOM 1196 NH2 ARG A 77 2.005 7.396 -8.368 1.00 0.00 N ATOM 0 H ARG A 77 2.428 11.357 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 77 4.038 9.033 -2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 77 2.367 10.223 -3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 77 3.721 11.268 -4.318 1.00 0.00 H new ATOM 0 HG2 ARG A 77 3.978 9.661 -5.949 1.00 0.00 H new ATOM 0 HG3 ARG A 77 5.010 8.993 -4.700 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.790 7.106 -4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 77 2.488 7.981 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 77 1.322 8.021 -6.058 1.00 0.00 H new ATOM 0 HH11 ARG A 77 4.743 7.365 -6.675 1.00 0.00 H new ATOM 0 HH12 ARG A 77 4.484 7.020 -8.388 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.006 7.573 -8.260 1.00 0.00 H new ATOM 0 HH22 ARG A 77 2.381 7.136 -9.280 1.00 0.00 H new ATOM 1210 N GLU A 78 6.362 9.772 -2.449 1.00 0.00 N ATOM 1211 CA GLU A 78 7.789 10.092 -2.420 1.00 0.00 C ATOM 1212 C GLU A 78 8.195 11.072 -1.300 1.00 0.00 C ATOM 1213 O GLU A 78 9.273 10.927 -0.723 1.00 0.00 O ATOM 1214 CB GLU A 78 8.221 10.577 -3.809 1.00 0.00 C ATOM 1215 CG GLU A 78 8.803 11.985 -3.863 1.00 0.00 C ATOM 1216 CD GLU A 78 9.497 12.274 -5.181 1.00 0.00 C ATOM 1217 OE1 GLU A 78 10.390 11.491 -5.565 1.00 0.00 O ATOM 1218 OE2 GLU A 78 9.145 13.283 -5.828 1.00 0.00 O ATOM 0 H GLU A 78 6.176 8.769 -2.436 1.00 0.00 H new ATOM 0 HA GLU A 78 8.327 9.177 -2.171 1.00 0.00 H new ATOM 0 HB2 GLU A 78 8.962 9.881 -4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.358 10.534 -4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.005 12.711 -3.709 1.00 0.00 H new ATOM 0 HG3 GLU A 78 9.513 12.113 -3.046 1.00 0.00 H new ATOM 1225 N LYS A 79 7.356 12.056 -0.988 1.00 0.00 N ATOM 1226 CA LYS A 79 7.670 13.021 0.060 1.00 0.00 C ATOM 1227 C LYS A 79 8.968 13.761 -0.251 1.00 0.00 C ATOM 1228 O LYS A 79 9.372 13.774 -1.433 1.00 0.00 O ATOM 1229 CB LYS A 79 7.784 12.315 1.415 1.00 0.00 C ATOM 1230 CG LYS A 79 6.483 12.301 2.203 1.00 0.00 C ATOM 1231 CD LYS A 79 6.661 12.902 3.587 1.00 0.00 C ATOM 1232 CE LYS A 79 6.742 14.420 3.529 1.00 0.00 C ATOM 1233 NZ LYS A 79 5.428 15.034 3.193 1.00 0.00 N ATOM 1234 OXT LYS A 79 9.570 14.320 0.690 1.00 0.00 O ATOM 0 H LYS A 79 6.456 12.205 -1.445 1.00 0.00 H new ATOM 0 HA LYS A 79 6.860 13.749 0.103 1.00 0.00 H new ATOM 0 HB2 LYS A 79 8.113 11.288 1.254 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.554 12.808 2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 79 5.721 12.859 1.659 1.00 0.00 H new ATOM 0 HG3 LYS A 79 6.123 11.276 2.294 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.828 12.605 4.224 1.00 0.00 H new ATOM 0 HD3 LYS A 79 7.568 12.505 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.086 14.802 4.490 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.482 14.716 2.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.449 16.048 3.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 5.239 14.915 2.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.677 14.569 3.742 1.00 0.00 H new TER 1248 LYS A 79