USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 0 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 122 LYS NZ :NH3+ 151:sc= 0.00193 (180deg=0) USER MOD Set 1.2: A 123 TYR OH : rot 180:sc=0.000531 USER MOD Set 2.1: A 7 SER OG : rot -139:sc= 0.0256 USER MOD Set 2.2: A 75 TYR OH : rot 130:sc= -0.144 USER MOD Set 3.1: A 72 SER OG : rot 132:sc= 0.0414 USER MOD Set 3.2: A 87 LYS NZ :NH3+ -150:sc= 0.0723 (180deg=0) USER MOD Set 4.1: A 60 SER OG : rot 179:sc= 0.0012 USER MOD Set 4.2: A 89 ASN : amide:sc= 0.909 K(o=0.91,f=-0.46) USER MOD Set 5.1: A 17 HIS :FLIP no HD1:sc= -0.51 F(o=-3,f=-1.3) USER MOD Set 5.2: A 20 MET CE :methyl -152:sc= -0.752 (180deg=-2.06!) USER MOD Set 6.1: A 8 MET CE :methyl -179:sc= -2.74! (180deg=-2.56!) USER MOD Set 6.2: A 73 TYR OH : rot 106:sc= 0.101 USER MOD Single : A 1 ALA N :NH3+ -126:sc= 0.806 (180deg=-1.51!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.172 K(o=-0.17,f=-0.7) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 25 TYR OH : rot 40:sc=-0.00949 USER MOD Single : A 28 TYR OH : rot 130:sc= -0.134 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HE2:sc= -1.91 K(o=-1.9,f=-2.7!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 52 TYR OH : rot 71:sc= 0.269 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0205 X(o=0.02,f=0) USER MOD Single : A 69 TYR OH : rot 130:sc= -0.247 USER MOD Single : A 70 THR OG1 : rot 150:sc= 0.746 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot -32:sc= 0.123 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0608 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.767 K(o=-0.77,f=-1.8) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 SER OG : rot -78:sc= 1.15 USER MOD Single : A 108 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.123) USER MOD Single : A 111 TYR OH : rot -29:sc= 1.31 USER MOD Single : A 112 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HD1:sc= -1.54 X(o=-1.5,f=-1.7) USER MOD Single : A 116 LYS NZ :NH3+ -154:sc= -0.03 (180deg=-0.914) USER MOD Single : A 117 ASN : amide:sc=-0.00413 X(o=-0.0041,f=0) USER MOD Single : A 120 THR OG1 : rot 53:sc= 0.11 USER MOD Single : A 121 LYS NZ :NH3+ -178:sc= 0.00329 (180deg=0.00322) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.389 1.846 3.876 1.00 0.00 N ATOM 2 CA ALA A 1 -7.720 2.863 4.704 1.00 0.00 C ATOM 3 C ALA A 1 -6.223 2.640 4.812 1.00 0.00 C ATOM 4 O ALA A 1 -5.737 1.513 4.918 1.00 0.00 O ATOM 5 CB ALA A 1 -8.291 3.040 6.111 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.940 2.314 3.129 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.675 1.226 3.443 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.025 1.278 4.471 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.922 3.784 4.157 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.729 3.811 6.638 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.338 3.336 6.044 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.214 2.099 6.656 1.00 0.00 H new ATOM 6 N LEU A 2 -5.500 3.757 4.785 1.00 0.00 N ATOM 7 CA LEU A 2 -4.043 3.762 4.842 1.00 0.00 C ATOM 8 C LEU A 2 -3.475 3.979 6.246 1.00 0.00 C ATOM 9 O LEU A 2 -2.519 3.283 6.550 1.00 0.00 O ATOM 10 CB LEU A 2 -3.606 4.811 3.835 1.00 0.00 C ATOM 11 CG LEU A 2 -2.076 4.925 3.684 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.595 4.567 2.287 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.676 6.315 4.137 1.00 0.00 C ATOM 0 H LEU A 2 -5.912 4.688 4.723 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.641 2.781 4.587 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.041 4.574 2.864 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.006 5.779 4.136 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.577 4.190 4.316 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.510 4.665 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.877 3.539 2.057 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.052 5.239 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.596 6.431 4.044 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.176 7.058 3.516 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.967 6.456 5.178 1.00 0.00 H new ATOM 14 N TRP A 3 -3.950 4.932 7.075 1.00 0.00 N ATOM 15 CA TRP A 3 -3.539 4.995 8.514 1.00 0.00 C ATOM 16 C TRP A 3 -3.836 3.682 9.294 1.00 0.00 C ATOM 17 O TRP A 3 -2.993 3.240 10.081 1.00 0.00 O ATOM 18 CB TRP A 3 -4.127 6.223 9.258 1.00 0.00 C ATOM 19 CG TRP A 3 -5.676 6.205 9.501 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.351 5.572 10.578 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.687 6.523 8.604 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.732 5.479 10.368 1.00 0.00 N ATOM 23 CE2 TRP A 3 -7.918 6.048 9.132 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.631 7.014 7.278 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.075 6.041 8.311 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.801 7.111 6.543 1.00 0.00 C ATOM 27 CH2 TRP A 3 -9.014 6.624 7.051 1.00 0.00 C ATOM 0 H TRP A 3 -4.606 5.660 6.791 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.456 5.116 8.488 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.629 6.310 10.224 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.879 7.120 8.690 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.853 5.203 11.463 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.437 5.081 10.989 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.687 7.310 6.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -9.991 5.589 8.661 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.779 7.568 5.565 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.912 6.703 6.456 1.00 0.00 H new ATOM 28 N GLN A 4 -5.019 3.078 9.038 1.00 0.00 N ATOM 29 CA GLN A 4 -5.371 1.770 9.588 1.00 0.00 C ATOM 30 C GLN A 4 -4.597 0.593 8.935 1.00 0.00 C ATOM 31 O GLN A 4 -4.398 -0.390 9.655 1.00 0.00 O ATOM 32 CB GLN A 4 -6.891 1.528 9.617 1.00 0.00 C ATOM 33 CG GLN A 4 -7.552 1.868 10.967 1.00 0.00 C ATOM 34 CD GLN A 4 -9.063 1.635 10.945 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.805 2.310 10.230 1.00 0.00 O ATOM 36 NE2 GLN A 4 -9.556 0.687 11.725 1.00 0.00 N ATOM 0 H GLN A 4 -5.744 3.488 8.448 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.040 1.797 10.626 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.359 2.125 8.834 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.087 0.482 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.104 1.260 11.753 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.350 2.910 11.216 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.932 0.134 12.313 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.560 0.509 11.739 1.00 0.00 H new ATOM 37 N PHE A 5 -4.150 0.657 7.638 1.00 0.00 N ATOM 38 CA PHE A 5 -3.145 -0.333 7.144 1.00 0.00 C ATOM 39 C PHE A 5 -1.704 0.006 7.595 1.00 0.00 C ATOM 40 O PHE A 5 -0.867 -0.880 7.611 1.00 0.00 O ATOM 41 CB PHE A 5 -3.363 -0.754 5.684 1.00 0.00 C ATOM 42 CG PHE A 5 -2.313 -0.542 4.609 1.00 0.00 C ATOM 43 CD1 PHE A 5 -1.890 0.742 4.333 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.799 -1.594 3.838 1.00 0.00 C ATOM 45 CE1 PHE A 5 -0.979 0.988 3.318 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.901 -1.342 2.795 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.488 -0.046 2.538 1.00 0.00 C ATOM 0 H PHE A 5 -4.453 1.347 6.951 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.327 -1.278 7.656 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.585 -1.821 5.697 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.265 -0.245 5.344 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.274 1.566 4.916 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.099 -2.609 4.051 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.648 1.999 3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.531 -2.157 2.191 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.209 0.157 1.738 1.00 0.00 H new ATOM 48 N ARG A 6 -1.390 1.233 8.009 1.00 0.00 N ATOM 49 CA ARG A 6 -0.091 1.574 8.604 1.00 0.00 C ATOM 50 C ARG A 6 0.209 1.137 10.051 1.00 0.00 C ATOM 51 O ARG A 6 0.971 1.794 10.764 1.00 0.00 O ATOM 52 CB ARG A 6 0.093 3.082 8.329 1.00 0.00 C ATOM 53 CG ARG A 6 1.057 3.283 7.162 1.00 0.00 C ATOM 54 CD ARG A 6 0.693 2.875 5.736 1.00 0.00 C ATOM 55 NE ARG A 6 1.792 2.122 5.073 1.00 0.00 N ATOM 56 CZ ARG A 6 2.135 2.177 3.765 1.00 0.00 C ATOM 57 NH1 ARG A 6 1.596 3.003 2.874 1.00 0.00 N ATOM 58 NH2 ARG A 6 3.088 1.377 3.327 1.00 0.00 N ATOM 0 H ARG A 6 -2.030 2.025 7.942 1.00 0.00 H new ATOM 0 HA ARG A 6 0.672 0.958 8.128 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.870 3.539 8.100 1.00 0.00 H new ATOM 0 HB3 ARG A 6 0.478 3.579 9.220 1.00 0.00 H new ATOM 0 HG2 ARG A 6 1.300 4.345 7.133 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.975 2.753 7.417 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.208 2.261 5.753 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.461 3.766 5.152 1.00 0.00 H new ATOM 0 HE ARG A 6 2.343 1.501 5.665 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.868 3.657 3.160 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.911 2.982 1.904 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.550 0.734 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.363 1.401 2.345 1.00 0.00 H new ATOM 59 N SER A 7 -0.443 0.048 10.479 1.00 0.00 N ATOM 60 CA SER A 7 -0.125 -0.608 11.797 1.00 0.00 C ATOM 61 C SER A 7 0.478 -2.004 11.652 1.00 0.00 C ATOM 62 O SER A 7 1.662 -2.246 11.821 1.00 0.00 O ATOM 63 CB SER A 7 -1.267 -0.387 12.787 1.00 0.00 C ATOM 64 OG SER A 7 -0.977 -0.945 14.063 1.00 0.00 O ATOM 0 H SER A 7 -1.189 -0.409 9.954 1.00 0.00 H new ATOM 0 HA SER A 7 0.717 -0.110 12.277 1.00 0.00 H new ATOM 0 HB2 SER A 7 -1.455 0.682 12.892 1.00 0.00 H new ATOM 0 HB3 SER A 7 -2.180 -0.834 12.394 1.00 0.00 H new ATOM 0 HG SER A 7 -1.781 -1.376 14.422 1.00 0.00 H new ATOM 65 N MET A 8 -0.381 -2.960 11.387 1.00 0.00 N ATOM 66 CA MET A 8 -0.083 -4.103 10.492 1.00 0.00 C ATOM 67 C MET A 8 1.014 -4.014 9.383 1.00 0.00 C ATOM 68 O MET A 8 1.689 -5.015 9.173 1.00 0.00 O ATOM 69 CB MET A 8 -1.469 -4.297 9.864 1.00 0.00 C ATOM 70 CG MET A 8 -2.070 -3.067 9.181 1.00 0.00 C ATOM 71 SD MET A 8 -1.715 -3.341 7.440 1.00 0.00 S ATOM 72 CE MET A 8 -3.288 -4.066 7.241 1.00 0.00 C ATOM 0 H MET A 8 -1.322 -2.986 11.780 1.00 0.00 H new ATOM 0 HA MET A 8 0.374 -4.900 11.078 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.405 -5.101 9.131 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.156 -4.629 10.642 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.142 -2.989 9.365 1.00 0.00 H new ATOM 0 HG3 MET A 8 -1.616 -2.145 9.543 1.00 0.00 H new ATOM 0 HE1 MET A 8 -3.410 -4.392 6.208 1.00 0.00 H new ATOM 0 HE2 MET A 8 -3.379 -4.925 7.906 1.00 0.00 H new ATOM 0 HE3 MET A 8 -4.059 -3.335 7.485 1.00 0.00 H new ATOM 73 N ILE A 9 1.214 -2.877 8.678 1.00 0.00 N ATOM 74 CA ILE A 9 2.421 -2.669 7.798 1.00 0.00 C ATOM 75 C ILE A 9 3.734 -2.600 8.634 1.00 0.00 C ATOM 76 O ILE A 9 4.755 -3.058 8.142 1.00 0.00 O ATOM 77 CB ILE A 9 2.232 -1.473 6.829 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.097 -1.775 5.810 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.478 -1.011 6.027 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.560 -2.456 4.551 1.00 0.00 C ATOM 0 H ILE A 9 0.569 -2.087 8.691 1.00 0.00 H new ATOM 0 HA ILE A 9 2.524 -3.545 7.158 1.00 0.00 H new ATOM 0 HB ILE A 9 1.992 -0.651 7.503 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.348 -2.402 6.294 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.606 -0.839 5.543 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.209 -0.169 5.389 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.263 -0.706 6.719 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.839 -1.833 5.409 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.706 -2.630 3.896 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.286 -1.823 4.041 1.00 0.00 H new ATOM 0 HD13 ILE A 9 2.024 -3.410 4.803 1.00 0.00 H new ATOM 81 N LYS A 10 3.711 -2.044 9.845 1.00 0.00 N ATOM 82 CA LYS A 10 4.796 -2.172 10.843 1.00 0.00 C ATOM 83 C LYS A 10 4.745 -3.443 11.750 1.00 0.00 C ATOM 84 O LYS A 10 5.631 -3.613 12.591 1.00 0.00 O ATOM 85 CB LYS A 10 4.977 -0.802 11.483 1.00 0.00 C ATOM 86 CG LYS A 10 3.847 -0.187 12.287 1.00 0.00 C ATOM 87 CD LYS A 10 3.718 -0.905 13.624 1.00 0.00 C ATOM 88 CE LYS A 10 2.775 -0.282 14.646 1.00 0.00 C ATOM 89 NZ LYS A 10 3.262 0.991 15.210 1.00 0.00 N ATOM 0 H LYS A 10 2.928 -1.480 10.175 1.00 0.00 H new ATOM 0 HA LYS A 10 5.743 -2.424 10.365 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.846 -0.862 12.138 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.227 -0.102 10.686 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.039 0.874 12.450 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.912 -0.260 11.732 1.00 0.00 H new ATOM 0 HD2 LYS A 10 3.386 -1.925 13.432 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.710 -0.972 14.072 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.806 -0.113 14.176 1.00 0.00 H new ATOM 0 HE3 LYS A 10 2.616 -0.991 15.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.570 1.354 15.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.172 0.833 15.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.388 1.684 14.445 1.00 0.00 H new ATOM 90 N CYS A 11 3.745 -4.338 11.586 1.00 0.00 N ATOM 91 CA CYS A 11 3.798 -5.757 12.073 1.00 0.00 C ATOM 92 C CYS A 11 4.623 -6.561 10.994 1.00 0.00 C ATOM 93 O CYS A 11 5.636 -7.178 11.323 1.00 0.00 O ATOM 94 CB CYS A 11 2.329 -6.175 12.229 1.00 0.00 C ATOM 95 SG CYS A 11 1.966 -7.686 13.095 1.00 0.00 S ATOM 0 H CYS A 11 2.872 -4.107 11.113 1.00 0.00 H new ATOM 0 HA CYS A 11 4.293 -5.930 13.029 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.806 -5.366 12.739 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.898 -6.253 11.231 1.00 0.00 H new ATOM 96 N ALA A 12 4.187 -6.440 9.721 1.00 0.00 N ATOM 97 CA ALA A 12 4.941 -6.745 8.491 1.00 0.00 C ATOM 98 C ALA A 12 6.400 -6.261 8.353 1.00 0.00 C ATOM 99 O ALA A 12 7.195 -6.981 7.742 1.00 0.00 O ATOM 100 CB ALA A 12 4.075 -6.117 7.365 1.00 0.00 C ATOM 0 H ALA A 12 3.245 -6.108 9.515 1.00 0.00 H new ATOM 0 HA ALA A 12 5.085 -7.825 8.468 1.00 0.00 H new ATOM 0 HB1 ALA A 12 4.552 -6.289 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 12 3.086 -6.575 7.368 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.978 -5.045 7.535 1.00 0.00 H new ATOM 101 N ILE A 13 6.746 -5.065 8.846 1.00 0.00 N ATOM 102 CA ILE A 13 8.094 -4.499 8.798 1.00 0.00 C ATOM 103 C ILE A 13 8.307 -4.561 10.348 1.00 0.00 C ATOM 104 O ILE A 13 7.854 -3.628 11.020 1.00 0.00 O ATOM 105 CB ILE A 13 7.930 -3.099 8.126 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.551 -3.127 6.621 1.00 0.00 C ATOM 107 CG2 ILE A 13 9.077 -2.114 8.348 1.00 0.00 C ATOM 108 CD1 ILE A 13 8.116 -4.231 5.756 1.00 0.00 C ATOM 0 H ILE A 13 6.073 -4.449 9.302 1.00 0.00 H new ATOM 0 HA ILE A 13 8.925 -4.938 8.245 1.00 0.00 H new ATOM 0 HB ILE A 13 7.071 -2.720 8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.464 -3.176 6.554 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.855 -2.175 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.856 -1.177 7.837 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.194 -1.926 9.415 1.00 0.00 H new ATOM 0 HG23 ILE A 13 10.000 -2.535 7.950 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.758 -4.111 4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 13 9.205 -4.181 5.768 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.793 -5.198 6.142 1.00 0.00 H new ATOM 109 N PRO A 14 8.916 -5.626 10.977 1.00 0.00 N ATOM 110 CA PRO A 14 9.350 -5.606 12.441 1.00 0.00 C ATOM 111 C PRO A 14 10.650 -4.742 12.502 1.00 0.00 C ATOM 112 O PRO A 14 11.794 -5.203 12.479 1.00 0.00 O ATOM 113 CB PRO A 14 9.556 -7.109 12.702 1.00 0.00 C ATOM 114 CG PRO A 14 9.914 -7.757 11.340 1.00 0.00 C ATOM 115 CD PRO A 14 9.665 -6.677 10.275 1.00 0.00 C ATOM 0 HA PRO A 14 8.677 -5.175 13.182 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.354 -7.269 13.428 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.653 -7.556 13.117 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.953 -8.086 11.326 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.299 -8.637 11.154 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.603 -6.294 9.873 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.096 -7.074 9.434 1.00 0.00 H new ATOM 116 N GLY A 15 10.336 -3.451 12.424 1.00 0.00 N ATOM 117 CA GLY A 15 10.929 -2.659 11.334 1.00 0.00 C ATOM 118 C GLY A 15 11.112 -1.169 11.601 1.00 0.00 C ATOM 119 O GLY A 15 11.280 -0.739 12.746 1.00 0.00 O ATOM 0 H GLY A 15 9.714 -2.949 13.057 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.903 -3.085 11.093 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.303 -2.773 10.449 1.00 0.00 H new ATOM 120 N SER A 16 11.121 -0.389 10.502 1.00 0.00 N ATOM 121 CA SER A 16 11.338 1.090 10.560 1.00 0.00 C ATOM 122 C SER A 16 9.974 1.820 10.622 1.00 0.00 C ATOM 123 O SER A 16 9.218 1.524 11.555 1.00 0.00 O ATOM 124 CB SER A 16 12.323 1.459 9.433 1.00 0.00 C ATOM 125 OG SER A 16 12.695 2.833 9.489 1.00 0.00 O ATOM 0 H SER A 16 10.981 -0.749 9.558 1.00 0.00 H new ATOM 0 HA SER A 16 11.822 1.437 11.473 1.00 0.00 H new ATOM 0 HB2 SER A 16 13.215 0.837 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.867 1.244 8.466 1.00 0.00 H new ATOM 0 HG SER A 16 13.321 3.032 8.762 1.00 0.00 H new ATOM 126 N HIS A 17 9.630 2.777 9.733 1.00 0.00 N ATOM 127 CA HIS A 17 8.287 3.374 9.688 1.00 0.00 C ATOM 128 C HIS A 17 7.493 2.551 8.602 1.00 0.00 C ATOM 129 O HIS A 17 8.099 2.209 7.584 1.00 0.00 O ATOM 130 CB HIS A 17 8.495 4.868 9.295 1.00 0.00 C ATOM 131 CG HIS A 17 7.185 5.626 9.390 1.00 0.00 C ATOM 132 ND1 HIS A 17 6.325 5.545 8.314 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 6.585 6.244 10.481 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 5.107 6.086 8.612 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 5.353 6.480 9.905 1.00 0.00 N flip ATOM 0 H HIS A 17 10.272 3.151 9.035 1.00 0.00 H new ATOM 0 HA HIS A 17 7.729 3.343 10.624 1.00 0.00 H new ATOM 0 HB2 HIS A 17 9.235 5.324 9.953 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.887 4.933 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.963 6.469 11.467 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.215 6.177 8.010 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.623 6.949 10.441 1.00 0.00 H new ATOM 136 N PRO A 18 6.173 2.248 8.703 1.00 0.00 N ATOM 137 CA PRO A 18 5.436 1.482 7.643 1.00 0.00 C ATOM 138 C PRO A 18 5.466 2.052 6.206 1.00 0.00 C ATOM 139 O PRO A 18 5.747 1.267 5.300 1.00 0.00 O ATOM 140 CB PRO A 18 4.041 1.258 8.219 1.00 0.00 C ATOM 141 CG PRO A 18 3.905 2.212 9.413 1.00 0.00 C ATOM 142 CD PRO A 18 5.333 2.548 9.870 1.00 0.00 C ATOM 0 HA PRO A 18 5.954 0.543 7.445 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.275 1.461 7.471 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.913 0.222 8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.367 3.116 9.128 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.340 1.745 10.220 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.420 3.594 10.163 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.625 1.950 10.733 1.00 0.00 H new ATOM 143 N LEU A 19 5.275 3.377 5.975 1.00 0.00 N ATOM 144 CA LEU A 19 5.829 4.053 4.766 1.00 0.00 C ATOM 145 C LEU A 19 7.342 4.178 4.891 1.00 0.00 C ATOM 146 O LEU A 19 7.891 3.096 4.980 1.00 0.00 O ATOM 147 CB LEU A 19 5.107 5.389 4.517 1.00 0.00 C ATOM 148 CG LEU A 19 4.006 5.199 3.501 1.00 0.00 C ATOM 149 CD1 LEU A 19 3.063 6.389 3.673 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.500 5.183 2.056 1.00 0.00 C ATOM 0 H LEU A 19 4.751 3.992 6.597 1.00 0.00 H new ATOM 0 HA LEU A 19 5.643 3.449 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.690 5.766 5.451 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.817 6.135 4.161 1.00 0.00 H new ATOM 0 HG LEU A 19 3.535 4.232 3.675 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.241 6.308 2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.665 6.394 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.609 7.315 3.493 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.654 5.043 1.384 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.991 6.129 1.829 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.209 4.366 1.923 1.00 0.00 H new ATOM 151 N MET A 20 7.880 5.408 4.943 1.00 0.00 N ATOM 152 CA MET A 20 9.287 5.921 4.947 1.00 0.00 C ATOM 153 C MET A 20 10.529 5.046 4.949 1.00 0.00 C ATOM 154 O MET A 20 11.535 5.327 4.293 1.00 0.00 O ATOM 155 CB MET A 20 9.210 6.964 6.076 1.00 0.00 C ATOM 156 CG MET A 20 8.529 8.261 5.583 1.00 0.00 C ATOM 157 SD MET A 20 8.552 9.552 6.829 1.00 0.00 S ATOM 158 CE MET A 20 7.644 8.598 8.044 1.00 0.00 C ATOM 0 H MET A 20 7.243 6.203 4.991 1.00 0.00 H new ATOM 0 HA MET A 20 9.524 6.253 3.936 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.653 6.554 6.918 1.00 0.00 H new ATOM 0 HB3 MET A 20 10.213 7.190 6.437 1.00 0.00 H new ATOM 0 HG2 MET A 20 9.034 8.616 4.685 1.00 0.00 H new ATOM 0 HG3 MET A 20 7.498 8.045 5.305 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.094 9.273 8.699 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.944 7.934 7.536 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.341 8.005 8.636 1.00 0.00 H new ATOM 159 N ASP A 21 10.315 3.906 5.571 1.00 0.00 N ATOM 160 CA ASP A 21 10.699 2.617 4.870 1.00 0.00 C ATOM 161 C ASP A 21 10.290 2.428 3.331 1.00 0.00 C ATOM 162 O ASP A 21 10.849 1.530 2.699 1.00 0.00 O ATOM 163 CB ASP A 21 10.350 1.391 5.735 1.00 0.00 C ATOM 164 CG ASP A 21 11.087 0.093 5.404 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.346 0.054 5.944 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.592 -0.811 4.730 1.00 0.00 O ATOM 0 H ASP A 21 9.907 3.804 6.500 1.00 0.00 H new ATOM 0 HA ASP A 21 11.781 2.711 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.549 1.641 6.777 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.279 1.207 5.650 1.00 0.00 H new ATOM 167 N PHE A 22 9.387 3.249 2.748 1.00 0.00 N ATOM 168 CA PHE A 22 8.841 3.048 1.399 1.00 0.00 C ATOM 169 C PHE A 22 8.509 4.402 0.686 1.00 0.00 C ATOM 170 O PHE A 22 8.667 4.436 -0.532 1.00 0.00 O ATOM 171 CB PHE A 22 7.563 2.197 1.513 1.00 0.00 C ATOM 172 CG PHE A 22 7.754 0.717 1.823 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.668 0.261 3.150 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.770 -0.218 0.781 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.343 -1.067 3.401 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.606 -1.568 1.048 1.00 0.00 C ATOM 177 CZ PHE A 22 7.369 -1.984 2.352 1.00 0.00 C ATOM 0 H PHE A 22 9.017 4.078 3.212 1.00 0.00 H new ATOM 0 HA PHE A 22 9.595 2.543 0.795 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.934 2.630 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 22 7.013 2.281 0.575 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.853 0.939 3.970 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.911 0.115 -0.237 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.073 -1.384 4.397 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.662 -2.291 0.248 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.203 -3.032 2.555 1.00 0.00 H new ATOM 178 N ASN A 23 8.034 5.472 1.377 1.00 0.00 N ATOM 179 CA ASN A 23 7.704 6.824 0.751 1.00 0.00 C ATOM 180 C ASN A 23 8.636 7.355 -0.391 1.00 0.00 C ATOM 181 O ASN A 23 8.199 7.928 -1.390 1.00 0.00 O ATOM 182 CB ASN A 23 7.685 7.833 1.940 1.00 0.00 C ATOM 183 CG ASN A 23 7.336 9.302 1.684 1.00 0.00 C ATOM 184 OD1 ASN A 23 7.092 9.755 0.567 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.349 10.109 2.729 1.00 0.00 N ATOM 0 H ASN A 23 7.862 5.444 2.382 1.00 0.00 H new ATOM 0 HA ASN A 23 6.757 6.706 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.977 7.454 2.677 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.671 7.809 2.403 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.157 11.103 2.608 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.551 9.738 3.657 1.00 0.00 H new ATOM 186 N ASN A 24 9.910 7.155 -0.113 1.00 0.00 N ATOM 187 CA ASN A 24 11.040 7.468 -0.992 1.00 0.00 C ATOM 188 C ASN A 24 11.838 6.138 -1.089 1.00 0.00 C ATOM 189 O ASN A 24 12.736 5.867 -0.286 1.00 0.00 O ATOM 190 CB ASN A 24 11.862 8.592 -0.328 1.00 0.00 C ATOM 191 CG ASN A 24 11.383 10.023 -0.588 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.295 10.285 -1.102 1.00 0.00 O ATOM 193 ND2 ASN A 24 12.194 10.996 -0.212 1.00 0.00 N ATOM 0 H ASN A 24 10.209 6.750 0.774 1.00 0.00 H new ATOM 0 HA ASN A 24 10.758 7.818 -1.985 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.867 8.423 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.894 8.509 -0.669 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.920 11.969 -0.347 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.094 10.774 0.213 1.00 0.00 H new ATOM 194 N TYR A 25 11.444 5.293 -2.053 1.00 0.00 N ATOM 195 CA TYR A 25 12.009 3.926 -2.206 1.00 0.00 C ATOM 196 C TYR A 25 11.790 3.553 -3.684 1.00 0.00 C ATOM 197 O TYR A 25 10.721 3.085 -4.088 1.00 0.00 O ATOM 198 CB TYR A 25 11.306 2.985 -1.216 1.00 0.00 C ATOM 199 CG TYR A 25 11.954 1.636 -0.956 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.718 0.559 -1.813 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.703 1.420 0.210 1.00 0.00 C ATOM 202 CE1 TYR A 25 12.182 -0.710 -1.483 1.00 0.00 C ATOM 203 CE2 TYR A 25 13.206 0.156 0.519 1.00 0.00 C ATOM 204 CZ TYR A 25 12.867 -0.926 -0.289 1.00 0.00 C ATOM 205 OH TYR A 25 13.060 -2.202 0.135 1.00 0.00 O ATOM 0 H TYR A 25 10.733 5.526 -2.746 1.00 0.00 H new ATOM 0 HA TYR A 25 13.072 3.856 -1.976 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.216 3.505 -0.262 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.294 2.808 -1.580 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.174 0.712 -2.734 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.893 2.246 0.880 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.010 -1.535 -2.158 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.851 0.018 1.375 1.00 0.00 H new ATOM 0 HH TYR A 25 13.277 -2.772 -0.632 1.00 0.00 H new ATOM 206 N GLY A 26 12.825 3.831 -4.476 1.00 0.00 N ATOM 207 CA GLY A 26 12.799 3.689 -5.931 1.00 0.00 C ATOM 208 C GLY A 26 12.279 4.986 -6.549 1.00 0.00 C ATOM 209 O GLY A 26 13.007 5.973 -6.690 1.00 0.00 O ATOM 0 H GLY A 26 13.719 4.167 -4.119 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.799 3.468 -6.305 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.160 2.853 -6.216 1.00 0.00 H new ATOM 210 N CYS A 27 10.983 4.957 -6.854 1.00 0.00 N ATOM 211 CA CYS A 27 10.227 6.155 -7.255 1.00 0.00 C ATOM 212 C CYS A 27 9.423 6.772 -6.075 1.00 0.00 C ATOM 213 O CYS A 27 9.544 7.976 -5.845 1.00 0.00 O ATOM 214 CB CYS A 27 9.306 5.871 -8.461 1.00 0.00 C ATOM 215 SG CYS A 27 9.244 7.304 -9.540 1.00 0.00 S ATOM 0 H CYS A 27 10.422 4.105 -6.832 1.00 0.00 H new ATOM 0 HA CYS A 27 10.966 6.895 -7.563 1.00 0.00 H new ATOM 0 HB2 CYS A 27 9.673 5.006 -9.013 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.303 5.625 -8.113 1.00 0.00 H new ATOM 216 N TYR A 28 8.627 5.955 -5.354 1.00 0.00 N ATOM 217 CA TYR A 28 7.510 6.459 -4.522 1.00 0.00 C ATOM 218 C TYR A 28 6.976 5.616 -3.314 1.00 0.00 C ATOM 219 O TYR A 28 6.244 6.154 -2.487 1.00 0.00 O ATOM 220 CB TYR A 28 6.257 6.685 -5.440 1.00 0.00 C ATOM 221 CG TYR A 28 5.912 5.739 -6.605 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.667 4.355 -6.475 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.868 6.295 -7.887 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.327 3.587 -7.587 1.00 0.00 C ATOM 225 CE2 TYR A 28 5.605 5.506 -9.002 1.00 0.00 C ATOM 226 CZ TYR A 28 5.263 4.171 -8.842 1.00 0.00 C ATOM 227 OH TYR A 28 4.846 3.431 -9.898 1.00 0.00 O ATOM 0 H TYR A 28 8.736 4.941 -5.330 1.00 0.00 H new ATOM 0 HA TYR A 28 7.971 7.338 -4.072 1.00 0.00 H new ATOM 0 HB2 TYR A 28 5.387 6.704 -4.784 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.357 7.683 -5.866 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.744 3.887 -5.505 1.00 0.00 H new ATOM 0 HD2 TYR A 28 6.041 7.354 -8.014 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.113 2.535 -7.470 1.00 0.00 H new ATOM 0 HE2 TYR A 28 5.667 5.933 -9.992 1.00 0.00 H new ATOM 0 HH TYR A 28 4.148 3.918 -10.383 1.00 0.00 H new ATOM 228 N CYS A 29 7.301 4.336 -3.291 1.00 0.00 N ATOM 229 CA CYS A 29 6.583 3.231 -2.644 1.00 0.00 C ATOM 230 C CYS A 29 5.547 3.550 -1.570 1.00 0.00 C ATOM 231 O CYS A 29 5.897 3.986 -0.481 1.00 0.00 O ATOM 232 CB CYS A 29 7.550 2.078 -2.337 1.00 0.00 C ATOM 233 SG CYS A 29 6.775 0.493 -2.711 1.00 0.00 S ATOM 0 H CYS A 29 8.144 4.006 -3.762 1.00 0.00 H new ATOM 0 HA CYS A 29 5.870 2.889 -3.394 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.461 2.192 -2.924 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.842 2.109 -1.287 1.00 0.00 H new ATOM 234 N GLY A 30 4.260 3.463 -1.913 1.00 0.00 N ATOM 235 CA GLY A 30 3.183 3.795 -0.980 1.00 0.00 C ATOM 236 C GLY A 30 2.760 5.258 -1.019 1.00 0.00 C ATOM 237 O GLY A 30 1.582 5.498 -1.303 1.00 0.00 O ATOM 0 H GLY A 30 3.938 3.164 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.318 3.171 -1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.503 3.547 0.032 1.00 0.00 H new ATOM 238 N LEU A 31 3.660 6.238 -0.724 1.00 0.00 N ATOM 239 CA LEU A 31 3.255 7.647 -0.646 1.00 0.00 C ATOM 240 C LEU A 31 3.697 8.368 -1.882 1.00 0.00 C ATOM 241 O LEU A 31 2.907 8.687 -2.780 1.00 0.00 O ATOM 242 CB LEU A 31 3.360 8.251 0.770 1.00 0.00 C ATOM 243 CG LEU A 31 3.662 9.739 0.961 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.681 10.737 0.352 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.827 10.061 2.464 1.00 0.00 C ATOM 0 H LEU A 31 4.649 6.070 -0.542 1.00 0.00 H new ATOM 0 HA LEU A 31 2.177 7.794 -0.712 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.417 8.047 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.134 7.695 1.300 1.00 0.00 H new ATOM 0 HG LEU A 31 4.584 9.878 0.397 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.017 11.752 0.563 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.633 10.588 -0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.692 10.585 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.042 11.123 2.587 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.906 9.813 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.650 9.475 2.874 1.00 0.00 H new ATOM 246 N GLY A 32 4.985 8.668 -1.807 1.00 0.00 N ATOM 247 CA GLY A 32 5.487 9.856 -2.490 1.00 0.00 C ATOM 248 C GLY A 32 5.613 9.808 -4.028 1.00 0.00 C ATOM 249 O GLY A 32 4.751 9.244 -4.706 1.00 0.00 O ATOM 0 H GLY A 32 5.684 8.127 -1.298 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.833 10.690 -2.234 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.471 10.086 -2.081 1.00 0.00 H new ATOM 250 N GLY A 33 6.677 10.436 -4.560 1.00 0.00 N ATOM 251 CA GLY A 33 7.085 10.369 -5.993 1.00 0.00 C ATOM 252 C GLY A 33 6.066 10.443 -7.144 1.00 0.00 C ATOM 253 O GLY A 33 4.954 10.944 -6.958 1.00 0.00 O ATOM 0 H GLY A 33 7.298 11.020 -4.000 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.797 11.179 -6.153 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.631 9.434 -6.119 1.00 0.00 H new ATOM 254 N SER A 34 6.476 9.974 -8.353 1.00 0.00 N ATOM 255 CA SER A 34 5.593 9.993 -9.556 1.00 0.00 C ATOM 256 C SER A 34 6.136 9.129 -10.737 1.00 0.00 C ATOM 257 O SER A 34 7.342 9.094 -11.000 1.00 0.00 O ATOM 258 CB SER A 34 5.378 11.450 -10.066 1.00 0.00 C ATOM 259 OG SER A 34 4.367 11.511 -11.069 1.00 0.00 O ATOM 0 H SER A 34 7.402 9.582 -8.522 1.00 0.00 H new ATOM 0 HA SER A 34 4.648 9.559 -9.229 1.00 0.00 H new ATOM 0 HB2 SER A 34 5.101 12.092 -9.230 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.314 11.837 -10.468 1.00 0.00 H new ATOM 0 HG SER A 34 4.256 12.438 -11.366 1.00 0.00 H new ATOM 260 N GLY A 35 5.195 8.494 -11.465 1.00 0.00 N ATOM 261 CA GLY A 35 5.482 7.785 -12.727 1.00 0.00 C ATOM 262 C GLY A 35 5.279 6.268 -12.636 1.00 0.00 C ATOM 263 O GLY A 35 4.153 5.787 -12.484 1.00 0.00 O ATOM 0 H GLY A 35 4.213 8.459 -11.193 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.840 8.183 -13.512 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.511 7.989 -13.023 1.00 0.00 H new ATOM 264 N THR A 36 6.397 5.546 -12.757 1.00 0.00 N ATOM 265 CA THR A 36 6.466 4.071 -12.649 1.00 0.00 C ATOM 266 C THR A 36 7.617 3.687 -11.635 1.00 0.00 C ATOM 267 O THR A 36 8.499 4.511 -11.368 1.00 0.00 O ATOM 268 CB THR A 36 6.571 3.323 -14.021 1.00 0.00 C ATOM 269 OG1 THR A 36 6.705 4.186 -15.154 1.00 0.00 O ATOM 270 CG2 THR A 36 5.334 2.436 -14.239 1.00 0.00 C ATOM 0 H THR A 36 7.305 5.974 -12.937 1.00 0.00 H new ATOM 0 HA THR A 36 5.512 3.719 -12.257 1.00 0.00 H new ATOM 0 HB THR A 36 7.484 2.731 -13.953 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.766 3.647 -15.970 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.419 1.922 -15.196 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.267 1.701 -13.437 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.437 3.056 -14.239 1.00 0.00 H new ATOM 271 N PRO A 37 7.641 2.473 -11.031 1.00 0.00 N ATOM 272 CA PRO A 37 8.552 2.132 -9.892 1.00 0.00 C ATOM 273 C PRO A 37 9.958 1.654 -10.350 1.00 0.00 C ATOM 274 O PRO A 37 10.479 2.113 -11.371 1.00 0.00 O ATOM 275 CB PRO A 37 7.665 1.014 -9.253 1.00 0.00 C ATOM 276 CG PRO A 37 7.220 0.205 -10.481 1.00 0.00 C ATOM 277 CD PRO A 37 6.788 1.326 -11.418 1.00 0.00 C ATOM 0 HA PRO A 37 8.830 2.950 -9.227 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.227 0.404 -8.546 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.816 1.429 -8.710 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.030 -0.393 -10.898 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.404 -0.480 -10.251 1.00 0.00 H new ATOM 0 HD2 PRO A 37 6.939 1.052 -12.462 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.730 1.559 -11.299 1.00 0.00 H new ATOM 278 N VAL A 38 10.541 0.716 -9.585 1.00 0.00 N ATOM 279 CA VAL A 38 11.830 0.074 -9.889 1.00 0.00 C ATOM 280 C VAL A 38 11.754 -1.485 -9.698 1.00 0.00 C ATOM 281 O VAL A 38 12.016 -2.272 -10.609 1.00 0.00 O ATOM 282 CB VAL A 38 13.009 0.704 -9.074 1.00 0.00 C ATOM 283 CG1 VAL A 38 13.002 2.237 -9.038 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.165 0.326 -7.579 1.00 0.00 C ATOM 0 H VAL A 38 10.120 0.376 -8.720 1.00 0.00 H new ATOM 0 HA VAL A 38 12.042 0.263 -10.941 1.00 0.00 H new ATOM 0 HB VAL A 38 13.822 0.266 -9.653 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.851 2.591 -8.454 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.074 2.625 -10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 38 12.076 2.586 -8.581 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.027 0.845 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.267 0.617 -7.035 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.311 -0.750 -7.489 1.00 0.00 H new ATOM 285 N ASP A 39 11.408 -1.820 -8.456 1.00 0.00 N ATOM 286 CA ASP A 39 11.422 -3.183 -7.891 1.00 0.00 C ATOM 287 C ASP A 39 10.121 -3.922 -8.145 1.00 0.00 C ATOM 288 O ASP A 39 9.079 -3.280 -8.282 1.00 0.00 O ATOM 289 CB ASP A 39 11.808 -3.117 -6.380 1.00 0.00 C ATOM 290 CG ASP A 39 12.827 -4.198 -5.991 1.00 0.00 C ATOM 291 OD1 ASP A 39 14.017 -4.122 -6.289 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.263 -5.252 -5.320 1.00 0.00 O ATOM 0 H ASP A 39 11.095 -1.123 -7.780 1.00 0.00 H new ATOM 0 HA ASP A 39 12.183 -3.771 -8.404 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.221 -2.134 -6.156 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.910 -3.232 -5.773 1.00 0.00 H new ATOM 293 N GLU A 40 10.166 -5.283 -8.124 1.00 0.00 N ATOM 294 CA GLU A 40 8.937 -6.075 -7.884 1.00 0.00 C ATOM 295 C GLU A 40 8.122 -5.532 -6.645 1.00 0.00 C ATOM 296 O GLU A 40 6.901 -5.379 -6.691 1.00 0.00 O ATOM 297 CB GLU A 40 9.149 -7.551 -7.530 1.00 0.00 C ATOM 298 CG GLU A 40 7.893 -8.377 -7.831 1.00 0.00 C ATOM 299 CD GLU A 40 7.851 -8.994 -9.212 1.00 0.00 C ATOM 300 OE1 GLU A 40 8.472 -10.216 -9.252 1.00 0.00 O ATOM 301 OE2 GLU A 40 7.320 -8.450 -10.180 1.00 0.00 O ATOM 0 H GLU A 40 11.012 -5.835 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 40 8.429 -5.980 -8.844 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.992 -7.946 -8.096 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.403 -7.642 -6.474 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.814 -9.173 -7.091 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.018 -7.739 -7.708 1.00 0.00 H new ATOM 302 N LEU A 41 8.870 -5.253 -5.572 1.00 0.00 N ATOM 303 CA LEU A 41 8.357 -4.612 -4.393 1.00 0.00 C ATOM 304 C LEU A 41 7.707 -3.239 -4.584 1.00 0.00 C ATOM 305 O LEU A 41 6.591 -3.012 -4.108 1.00 0.00 O ATOM 306 CB LEU A 41 9.517 -4.806 -3.418 1.00 0.00 C ATOM 307 CG LEU A 41 9.346 -4.451 -1.959 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.976 -3.170 -1.493 1.00 0.00 C ATOM 309 CD2 LEU A 41 7.934 -4.789 -1.543 1.00 0.00 C ATOM 0 H LEU A 41 9.863 -5.477 -5.514 1.00 0.00 H new ATOM 0 HA LEU A 41 7.441 -5.040 -3.986 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.807 -5.856 -3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.359 -4.226 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 41 9.991 -5.084 -1.350 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.780 -3.034 -0.430 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.052 -3.212 -1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.554 -2.333 -2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.795 -4.538 -0.491 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.230 -4.218 -2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.757 -5.855 -1.688 1.00 0.00 H new ATOM 310 N ASP A 42 8.362 -2.366 -5.353 1.00 0.00 N ATOM 311 CA ASP A 42 7.781 -1.084 -5.807 1.00 0.00 C ATOM 312 C ASP A 42 6.615 -1.165 -6.845 1.00 0.00 C ATOM 313 O ASP A 42 5.921 -0.166 -7.028 1.00 0.00 O ATOM 314 CB ASP A 42 8.983 -0.210 -6.193 1.00 0.00 C ATOM 315 CG ASP A 42 8.845 1.316 -6.187 1.00 0.00 C ATOM 316 OD1 ASP A 42 7.705 1.773 -5.579 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.693 2.049 -6.692 1.00 0.00 O ATOM 0 H ASP A 42 9.314 -2.522 -5.684 1.00 0.00 H new ATOM 0 HA ASP A 42 7.212 -0.621 -5.001 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.801 -0.466 -5.520 1.00 0.00 H new ATOM 0 HB3 ASP A 42 9.292 -0.505 -7.196 1.00 0.00 H new ATOM 318 N ARG A 43 6.347 -2.327 -7.462 1.00 0.00 N ATOM 319 CA ARG A 43 5.164 -2.552 -8.327 1.00 0.00 C ATOM 320 C ARG A 43 3.827 -2.627 -7.538 1.00 0.00 C ATOM 321 O ARG A 43 2.836 -2.102 -8.053 1.00 0.00 O ATOM 322 CB ARG A 43 5.192 -3.930 -9.031 1.00 0.00 C ATOM 323 CG ARG A 43 6.438 -4.345 -9.755 1.00 0.00 C ATOM 324 CD ARG A 43 7.099 -3.362 -10.677 1.00 0.00 C ATOM 325 NE ARG A 43 6.156 -2.867 -11.674 1.00 0.00 N ATOM 326 CZ ARG A 43 6.518 -2.329 -12.858 1.00 0.00 C ATOM 327 NH1 ARG A 43 7.781 -2.156 -13.247 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.568 -1.948 -13.687 1.00 0.00 N ATOM 0 H ARG A 43 6.947 -3.148 -7.378 1.00 0.00 H new ATOM 0 HA ARG A 43 5.212 -1.705 -9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.979 -4.690 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.371 -3.952 -9.748 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.172 -4.640 -9.006 1.00 0.00 H new ATOM 0 HG3 ARG A 43 6.201 -5.236 -10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.496 -2.527 -10.100 1.00 0.00 H new ATOM 0 HD3 ARG A 43 7.945 -3.836 -11.175 1.00 0.00 H new ATOM 0 HE ARG A 43 5.160 -2.931 -11.463 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.546 -2.438 -12.634 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.982 -1.742 -14.157 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.588 -2.063 -13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.812 -1.538 -14.589 1.00 0.00 H new ATOM 329 N CYS A 44 3.771 -3.290 -6.341 1.00 0.00 N ATOM 330 CA CYS A 44 2.570 -3.174 -5.488 1.00 0.00 C ATOM 331 C CYS A 44 2.315 -1.733 -4.929 1.00 0.00 C ATOM 332 O CYS A 44 1.264 -1.549 -4.343 1.00 0.00 O ATOM 333 CB CYS A 44 2.617 -4.174 -4.337 1.00 0.00 C ATOM 334 SG CYS A 44 2.850 -5.868 -4.881 1.00 0.00 S ATOM 0 H CYS A 44 4.513 -3.882 -5.968 1.00 0.00 H new ATOM 0 HA CYS A 44 1.732 -3.403 -6.146 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.427 -3.902 -3.661 1.00 0.00 H new ATOM 0 HB3 CYS A 44 1.690 -4.106 -3.767 1.00 0.00 H new ATOM 335 N CYS A 45 3.240 -0.777 -5.112 1.00 0.00 N ATOM 336 CA CYS A 45 3.018 0.661 -4.954 1.00 0.00 C ATOM 337 C CYS A 45 2.559 1.377 -6.259 1.00 0.00 C ATOM 338 O CYS A 45 1.813 2.350 -6.107 1.00 0.00 O ATOM 339 CB CYS A 45 4.316 1.301 -4.478 1.00 0.00 C ATOM 340 SG CYS A 45 4.790 0.662 -2.864 1.00 0.00 S ATOM 0 H CYS A 45 4.198 -0.998 -5.384 1.00 0.00 H new ATOM 0 HA CYS A 45 2.210 0.778 -4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.109 1.104 -5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.195 2.383 -4.424 1.00 0.00 H new ATOM 341 N GLU A 46 2.950 0.970 -7.511 1.00 0.00 N ATOM 342 CA GLU A 46 2.246 1.467 -8.737 1.00 0.00 C ATOM 343 C GLU A 46 0.714 1.117 -8.702 1.00 0.00 C ATOM 344 O GLU A 46 -0.109 1.945 -9.084 1.00 0.00 O ATOM 345 CB GLU A 46 2.917 0.810 -9.972 1.00 0.00 C ATOM 346 CG GLU A 46 2.475 1.400 -11.322 1.00 0.00 C ATOM 347 CD GLU A 46 2.698 0.487 -12.523 1.00 0.00 C ATOM 348 OE1 GLU A 46 3.071 -0.684 -12.451 1.00 0.00 O ATOM 349 OE2 GLU A 46 2.402 1.123 -13.700 1.00 0.00 O ATOM 0 H GLU A 46 3.719 0.324 -7.692 1.00 0.00 H new ATOM 0 HA GLU A 46 2.326 2.553 -8.786 1.00 0.00 H new ATOM 0 HB2 GLU A 46 3.998 0.913 -9.881 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.696 -0.257 -9.966 1.00 0.00 H new ATOM 0 HG2 GLU A 46 1.415 1.649 -11.264 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.013 2.333 -11.488 1.00 0.00 H new ATOM 350 N THR A 47 0.405 -0.093 -8.221 1.00 0.00 N ATOM 351 CA THR A 47 -0.952 -0.592 -7.977 1.00 0.00 C ATOM 352 C THR A 47 -1.507 -0.263 -6.562 1.00 0.00 C ATOM 353 O THR A 47 -2.728 -0.297 -6.454 1.00 0.00 O ATOM 354 CB THR A 47 -0.852 -2.121 -8.264 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.561 -2.336 -9.648 1.00 0.00 O ATOM 356 CG2 THR A 47 -2.100 -2.936 -7.959 1.00 0.00 C ATOM 0 H THR A 47 1.122 -0.778 -7.982 1.00 0.00 H new ATOM 0 HA THR A 47 -1.680 -0.098 -8.621 1.00 0.00 H new ATOM 0 HB THR A 47 -0.065 -2.462 -7.591 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.497 -3.298 -9.823 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.917 -3.984 -8.196 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.347 -2.841 -6.902 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.931 -2.568 -8.561 1.00 0.00 H new ATOM 357 N HIS A 48 -0.746 0.078 -5.497 1.00 0.00 N ATOM 358 CA HIS A 48 -1.367 0.709 -4.274 1.00 0.00 C ATOM 359 C HIS A 48 -1.443 2.261 -4.532 1.00 0.00 C ATOM 360 O HIS A 48 -0.723 3.082 -3.963 1.00 0.00 O ATOM 361 CB HIS A 48 -0.680 0.302 -2.955 1.00 0.00 C ATOM 362 CG HIS A 48 -1.680 0.314 -1.779 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.731 1.348 -0.849 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.706 -0.631 -1.520 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.798 0.924 -0.126 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.529 -0.134 -0.552 1.00 0.00 N ATOM 0 H HIS A 48 0.263 -0.060 -5.442 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.378 0.330 -4.126 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -0.248 -0.693 -3.059 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.142 0.986 -2.744 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -1.144 2.175 -0.743 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.817 -1.587 -2.009 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -3.065 1.430 0.790 1.00 0.00 H new ATOM 367 N ASP A 49 -2.361 2.537 -5.463 1.00 0.00 N ATOM 368 CA ASP A 49 -2.551 3.761 -6.239 1.00 0.00 C ATOM 369 C ASP A 49 -3.529 3.254 -7.405 1.00 0.00 C ATOM 370 O ASP A 49 -4.631 3.791 -7.484 1.00 0.00 O ATOM 371 CB ASP A 49 -1.289 4.280 -6.937 1.00 0.00 C ATOM 372 CG ASP A 49 -0.335 5.221 -6.232 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.876 5.837 -5.130 1.00 0.00 O ATOM 374 OD2 ASP A 49 0.807 5.415 -6.644 1.00 0.00 O ATOM 0 H ASP A 49 -3.058 1.837 -5.715 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.892 4.570 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.710 3.407 -7.239 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.613 4.780 -7.850 1.00 0.00 H new ATOM 375 N ASN A 50 -3.116 2.269 -8.268 1.00 0.00 N ATOM 376 CA ASN A 50 -3.920 1.796 -9.423 1.00 0.00 C ATOM 377 C ASN A 50 -5.019 0.722 -9.190 1.00 0.00 C ATOM 378 O ASN A 50 -5.985 0.678 -9.956 1.00 0.00 O ATOM 379 CB ASN A 50 -3.108 1.522 -10.707 1.00 0.00 C ATOM 380 CG ASN A 50 -2.379 2.738 -11.301 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.857 3.872 -11.272 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.212 2.521 -11.876 1.00 0.00 N ATOM 0 H ASN A 50 -2.220 1.790 -8.174 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.511 2.698 -9.581 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.371 0.748 -10.492 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.782 1.119 -11.463 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.700 3.295 -12.300 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.821 1.579 -11.897 1.00 0.00 H new ATOM 383 N CYS A 51 -4.890 -0.128 -8.176 1.00 0.00 N ATOM 384 CA CYS A 51 -6.064 -0.752 -7.527 1.00 0.00 C ATOM 385 C CYS A 51 -6.608 0.095 -6.319 1.00 0.00 C ATOM 386 O CYS A 51 -7.654 -0.295 -5.789 1.00 0.00 O ATOM 387 CB CYS A 51 -5.710 -2.159 -6.986 1.00 0.00 C ATOM 388 SG CYS A 51 -4.671 -2.029 -5.513 1.00 0.00 S ATOM 0 H CYS A 51 -3.993 -0.407 -7.779 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.832 -0.811 -8.298 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.624 -2.703 -6.747 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.191 -2.731 -7.755 1.00 0.00 H new ATOM 389 N TYR A 52 -5.926 1.196 -5.862 1.00 0.00 N ATOM 390 CA TYR A 52 -6.342 1.872 -4.590 1.00 0.00 C ATOM 391 C TYR A 52 -7.503 2.846 -4.802 1.00 0.00 C ATOM 392 O TYR A 52 -8.472 2.848 -4.036 1.00 0.00 O ATOM 393 CB TYR A 52 -5.176 2.569 -3.854 1.00 0.00 C ATOM 394 CG TYR A 52 -5.313 2.888 -2.363 1.00 0.00 C ATOM 395 CD1 TYR A 52 -6.326 2.297 -1.612 1.00 0.00 C ATOM 396 CD2 TYR A 52 -4.323 3.641 -1.686 1.00 0.00 C ATOM 397 CE1 TYR A 52 -6.289 2.345 -0.238 1.00 0.00 C ATOM 398 CE2 TYR A 52 -4.342 3.737 -0.287 1.00 0.00 C ATOM 399 CZ TYR A 52 -5.328 3.066 0.432 1.00 0.00 C ATOM 400 OH TYR A 52 -5.331 3.015 1.786 1.00 0.00 O ATOM 0 H TYR A 52 -5.124 1.616 -6.331 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.688 1.066 -3.943 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -4.292 1.943 -3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.976 3.507 -4.372 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -7.144 1.799 -2.111 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -3.550 4.143 -2.249 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.032 1.804 0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.598 4.326 0.228 1.00 0.00 H new ATOM 0 HH TYR A 52 -5.038 2.127 2.081 1.00 0.00 H new ATOM 401 N ARG A 53 -7.375 3.654 -5.857 1.00 0.00 N ATOM 402 CA ARG A 53 -8.449 4.434 -6.433 1.00 0.00 C ATOM 403 C ARG A 53 -9.827 3.756 -6.563 1.00 0.00 C ATOM 404 O ARG A 53 -10.839 4.401 -6.299 1.00 0.00 O ATOM 405 CB ARG A 53 -7.787 5.037 -7.701 1.00 0.00 C ATOM 406 CG ARG A 53 -8.265 4.389 -8.965 1.00 0.00 C ATOM 407 CD ARG A 53 -7.478 3.217 -9.435 1.00 0.00 C ATOM 408 NE ARG A 53 -6.556 3.701 -10.479 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.683 3.458 -11.799 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.666 2.740 -12.337 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.779 3.967 -12.612 1.00 0.00 N ATOM 0 H ARG A 53 -6.487 3.781 -6.343 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.813 5.216 -5.767 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.998 6.106 -7.743 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.705 4.928 -7.628 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.298 4.073 -8.820 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.269 5.139 -9.756 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.924 2.770 -8.610 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.137 2.445 -9.832 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.760 4.264 -10.179 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.386 2.333 -11.740 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.699 2.597 -13.346 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.013 4.526 -12.237 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.846 3.802 -13.616 1.00 0.00 H new ATOM 412 N ASP A 54 -9.825 2.502 -7.066 1.00 0.00 N ATOM 413 CA ASP A 54 -11.026 1.907 -7.720 1.00 0.00 C ATOM 414 C ASP A 54 -12.239 1.545 -6.829 1.00 0.00 C ATOM 415 O ASP A 54 -13.268 1.103 -7.312 1.00 0.00 O ATOM 416 CB ASP A 54 -10.553 0.704 -8.540 1.00 0.00 C ATOM 417 CG ASP A 54 -11.398 0.357 -9.761 1.00 0.00 C ATOM 418 OD1 ASP A 54 -11.230 0.877 -10.863 1.00 0.00 O ATOM 419 OD2 ASP A 54 -12.356 -0.586 -9.489 1.00 0.00 O ATOM 0 H ASP A 54 -9.016 1.882 -7.036 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.450 2.702 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.532 0.893 -8.871 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.520 -0.167 -7.886 1.00 0.00 H new ATOM 420 N ALA A 55 -12.063 1.787 -5.536 1.00 0.00 N ATOM 421 CA ALA A 55 -13.134 2.053 -4.557 1.00 0.00 C ATOM 422 C ALA A 55 -14.246 3.049 -5.013 1.00 0.00 C ATOM 423 O ALA A 55 -15.418 2.903 -4.661 1.00 0.00 O ATOM 424 CB ALA A 55 -12.372 2.725 -3.385 1.00 0.00 C ATOM 0 H ALA A 55 -11.135 1.806 -5.113 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.661 1.122 -4.348 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.074 2.971 -2.588 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.615 2.040 -3.003 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.891 3.637 -3.739 1.00 0.00 H new ATOM 425 N LYS A 56 -13.832 4.050 -5.791 1.00 0.00 N ATOM 426 CA LYS A 56 -14.664 5.008 -6.484 1.00 0.00 C ATOM 427 C LYS A 56 -15.614 4.413 -7.558 1.00 0.00 C ATOM 428 O LYS A 56 -16.797 4.750 -7.614 1.00 0.00 O ATOM 429 CB LYS A 56 -13.635 6.109 -6.812 1.00 0.00 C ATOM 430 CG LYS A 56 -13.410 6.351 -8.266 1.00 0.00 C ATOM 431 CD LYS A 56 -12.614 5.319 -9.012 1.00 0.00 C ATOM 432 CE LYS A 56 -11.294 5.786 -9.609 1.00 0.00 C ATOM 433 NZ LYS A 56 -11.417 6.831 -10.644 1.00 0.00 N ATOM 0 H LYS A 56 -12.839 4.215 -5.958 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.492 5.444 -5.926 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.963 7.041 -6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.683 5.844 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.383 6.443 -8.749 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.907 7.312 -8.376 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -12.409 4.490 -8.335 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.234 4.926 -9.818 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.661 6.163 -8.805 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.782 4.926 -10.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.471 7.087 -10.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.992 6.472 -11.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -11.875 7.671 -10.236 1.00 0.00 H new ATOM 434 N ASN A 57 -15.040 3.529 -8.382 1.00 0.00 N ATOM 435 CA ASN A 57 -15.718 2.838 -9.508 1.00 0.00 C ATOM 436 C ASN A 57 -16.445 1.566 -9.018 1.00 0.00 C ATOM 437 O ASN A 57 -17.670 1.508 -9.051 1.00 0.00 O ATOM 438 CB ASN A 57 -14.635 2.576 -10.589 1.00 0.00 C ATOM 439 CG ASN A 57 -15.069 1.818 -11.838 1.00 0.00 C ATOM 440 OD1 ASN A 57 -16.149 2.031 -12.390 1.00 0.00 O ATOM 441 ND2 ASN A 57 -14.215 0.945 -12.334 1.00 0.00 N ATOM 0 H ASN A 57 -14.061 3.260 -8.289 1.00 0.00 H new ATOM 0 HA ASN A 57 -16.508 3.447 -9.946 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -14.229 3.538 -10.901 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.820 2.022 -10.124 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.445 0.435 -13.187 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.324 0.780 -11.865 1.00 0.00 H new ATOM 442 N LEU A 58 -15.644 0.581 -8.592 1.00 0.00 N ATOM 443 CA LEU A 58 -16.092 -0.669 -7.940 1.00 0.00 C ATOM 444 C LEU A 58 -17.097 -1.560 -8.648 1.00 0.00 C ATOM 445 O LEU A 58 -17.942 -1.170 -9.459 1.00 0.00 O ATOM 446 CB LEU A 58 -16.199 -0.333 -6.459 1.00 0.00 C ATOM 447 CG LEU A 58 -16.202 -1.328 -5.323 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.078 -2.300 -5.463 1.00 0.00 C ATOM 449 CD2 LEU A 58 -16.045 -0.561 -3.997 1.00 0.00 C ATOM 0 H LEU A 58 -14.630 0.628 -8.693 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.368 -1.476 -8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.375 0.349 -6.251 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.121 0.239 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.141 -1.882 -5.339 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.102 -3.006 -4.633 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.181 -2.842 -6.403 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.130 -1.763 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -16.045 -1.267 -3.166 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -15.105 -0.010 -4.005 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -16.874 0.137 -3.880 1.00 0.00 H new ATOM 450 N ASP A 59 -16.932 -2.830 -8.281 1.00 0.00 N ATOM 451 CA ASP A 59 -17.898 -3.903 -8.542 1.00 0.00 C ATOM 452 C ASP A 59 -19.249 -3.664 -7.795 1.00 0.00 C ATOM 453 O ASP A 59 -20.287 -4.150 -8.249 1.00 0.00 O ATOM 454 CB ASP A 59 -17.250 -5.139 -7.831 1.00 0.00 C ATOM 455 CG ASP A 59 -16.203 -5.880 -8.648 1.00 0.00 C ATOM 456 OD1 ASP A 59 -16.482 -6.692 -9.530 1.00 0.00 O ATOM 457 OD2 ASP A 59 -14.926 -5.538 -8.286 1.00 0.00 O ATOM 0 H ASP A 59 -16.103 -3.152 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.097 -3.995 -9.610 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.791 -4.804 -6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -18.041 -5.839 -7.562 1.00 0.00 H new ATOM 458 N SER A 60 -19.178 -2.992 -6.634 1.00 0.00 N ATOM 459 CA SER A 60 -20.290 -2.818 -5.719 1.00 0.00 C ATOM 460 C SER A 60 -20.569 -1.329 -5.551 1.00 0.00 C ATOM 461 O SER A 60 -21.725 -1.016 -5.248 1.00 0.00 O ATOM 462 CB SER A 60 -19.834 -3.498 -4.411 1.00 0.00 C ATOM 463 OG SER A 60 -20.939 -4.001 -3.675 1.00 0.00 O ATOM 0 H SER A 60 -18.319 -2.548 -6.309 1.00 0.00 H new ATOM 0 HA SER A 60 -21.224 -3.260 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.148 -4.313 -4.643 1.00 0.00 H new ATOM 0 HB3 SER A 60 -19.284 -2.782 -3.800 1.00 0.00 H new ATOM 0 HG SER A 60 -20.617 -4.441 -2.861 1.00 0.00 H new ATOM 464 N CYS A 61 -19.550 -0.417 -5.713 1.00 0.00 N ATOM 465 CA CYS A 61 -19.769 0.978 -5.301 1.00 0.00 C ATOM 466 C CYS A 61 -19.423 2.002 -6.383 1.00 0.00 C ATOM 467 O CYS A 61 -18.330 2.575 -6.403 1.00 0.00 O ATOM 468 CB CYS A 61 -19.033 1.130 -3.967 1.00 0.00 C ATOM 469 SG CYS A 61 -19.529 -0.233 -2.857 1.00 0.00 S ATOM 0 H CYS A 61 -18.630 -0.623 -6.103 1.00 0.00 H new ATOM 0 HA CYS A 61 -20.826 1.200 -5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.955 1.112 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -19.272 2.092 -3.513 1.00 0.00 H new ATOM 528 N TYR A 69 -6.453 8.193 -0.495 1.00 0.00 N ATOM 529 CA TYR A 69 -5.967 6.853 -0.091 1.00 0.00 C ATOM 530 C TYR A 69 -7.246 5.961 0.245 1.00 0.00 C ATOM 531 O TYR A 69 -7.722 5.247 -0.640 1.00 0.00 O ATOM 532 CB TYR A 69 -4.901 6.875 1.051 1.00 0.00 C ATOM 533 CG TYR A 69 -3.442 7.382 0.685 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.660 6.855 -0.374 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.860 8.435 1.418 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.457 7.452 -0.771 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.655 9.034 1.018 1.00 0.00 C ATOM 538 CZ TYR A 69 -0.979 8.560 -0.097 1.00 0.00 C ATOM 539 OH TYR A 69 0.161 9.167 -0.524 1.00 0.00 O ATOM 0 HA TYR A 69 -5.414 6.409 -0.918 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.283 7.504 1.855 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.815 5.864 1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.001 5.969 -0.888 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.353 8.790 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.902 7.046 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.254 9.865 1.579 1.00 0.00 H new ATOM 0 HH TYR A 69 0.006 10.131 -0.610 1.00 0.00 H new ATOM 540 N THR A 70 -7.798 6.062 1.463 1.00 0.00 N ATOM 541 CA THR A 70 -8.873 5.252 2.015 1.00 0.00 C ATOM 542 C THR A 70 -10.245 5.012 1.426 1.00 0.00 C ATOM 543 O THR A 70 -10.861 5.851 0.764 1.00 0.00 O ATOM 544 CB THR A 70 -9.048 5.971 3.457 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.922 5.254 4.325 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.521 7.432 3.447 1.00 0.00 C ATOM 0 H THR A 70 -7.476 6.764 2.129 1.00 0.00 H new ATOM 0 HA THR A 70 -8.536 4.226 1.868 1.00 0.00 H new ATOM 0 HB THR A 70 -8.020 5.965 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.651 5.400 5.255 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.598 7.797 4.471 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.805 8.043 2.897 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.497 7.495 2.965 1.00 0.00 H new ATOM 547 N GLU A 71 -10.762 3.867 1.923 1.00 0.00 N ATOM 548 CA GLU A 71 -12.137 3.793 2.423 1.00 0.00 C ATOM 549 C GLU A 71 -12.286 3.200 3.879 1.00 0.00 C ATOM 550 O GLU A 71 -13.027 3.789 4.669 1.00 0.00 O ATOM 551 CB GLU A 71 -13.196 3.113 1.503 1.00 0.00 C ATOM 552 CG GLU A 71 -14.518 3.892 1.622 1.00 0.00 C ATOM 553 CD GLU A 71 -15.586 3.517 0.611 1.00 0.00 C ATOM 554 OE1 GLU A 71 -15.436 3.620 -0.607 1.00 0.00 O ATOM 555 OE2 GLU A 71 -16.729 3.056 1.211 1.00 0.00 O ATOM 0 H GLU A 71 -10.245 2.990 1.985 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.368 4.858 2.436 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.852 3.107 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.341 2.073 1.797 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -14.920 3.741 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.304 4.956 1.522 1.00 0.00 H new ATOM 556 N SER A 72 -11.671 2.037 4.191 1.00 0.00 N ATOM 557 CA SER A 72 -12.078 1.218 5.391 1.00 0.00 C ATOM 558 C SER A 72 -11.048 0.166 5.930 1.00 0.00 C ATOM 559 O SER A 72 -10.045 -0.060 5.268 1.00 0.00 O ATOM 560 CB SER A 72 -13.347 0.455 4.940 1.00 0.00 C ATOM 561 OG SER A 72 -14.093 0.004 6.059 1.00 0.00 O ATOM 0 H SER A 72 -10.904 1.637 3.650 1.00 0.00 H new ATOM 0 HA SER A 72 -12.198 1.913 6.222 1.00 0.00 H new ATOM 0 HB2 SER A 72 -13.967 1.106 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.063 -0.396 4.321 1.00 0.00 H new ATOM 0 HG SER A 72 -15.037 0.239 5.939 1.00 0.00 H new ATOM 562 N TYR A 73 -11.305 -0.480 7.102 1.00 0.00 N ATOM 563 CA TYR A 73 -10.411 -1.435 7.784 1.00 0.00 C ATOM 564 C TYR A 73 -11.053 -1.740 9.209 1.00 0.00 C ATOM 565 O TYR A 73 -11.684 -0.904 9.862 1.00 0.00 O ATOM 566 CB TYR A 73 -9.022 -0.829 8.154 1.00 0.00 C ATOM 567 CG TYR A 73 -7.892 -1.469 7.392 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.395 -2.713 7.807 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.427 -0.913 6.222 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.501 -3.425 7.019 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.599 -1.645 5.397 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.150 -2.905 5.772 1.00 0.00 C ATOM 573 OH TYR A 73 -5.354 -3.617 4.940 1.00 0.00 O ATOM 0 H TYR A 73 -12.178 -0.338 7.610 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.292 -2.284 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.031 0.242 7.952 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.849 -0.950 9.223 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.713 -3.123 8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.710 0.093 5.951 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.086 -4.361 7.363 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.295 -1.233 4.446 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.892 -3.987 4.210 1.00 0.00 H new ATOM 574 N SER A 74 -10.686 -2.944 9.651 1.00 0.00 N ATOM 575 CA SER A 74 -10.971 -3.531 10.986 1.00 0.00 C ATOM 576 C SER A 74 -10.183 -4.879 11.058 1.00 0.00 C ATOM 577 O SER A 74 -10.730 -5.954 10.790 1.00 0.00 O ATOM 578 CB SER A 74 -12.492 -3.703 11.038 1.00 0.00 C ATOM 579 OG SER A 74 -12.953 -4.287 12.241 1.00 0.00 O ATOM 0 H SER A 74 -10.150 -3.582 9.062 1.00 0.00 H new ATOM 0 HA SER A 74 -10.661 -2.927 11.839 1.00 0.00 H new ATOM 0 HB2 SER A 74 -12.964 -2.729 10.912 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.809 -4.322 10.198 1.00 0.00 H new ATOM 0 HG SER A 74 -13.929 -4.368 12.212 1.00 0.00 H new ATOM 580 N TYR A 75 -8.888 -4.803 11.391 1.00 0.00 N ATOM 581 CA TYR A 75 -7.900 -5.871 11.105 1.00 0.00 C ATOM 582 C TYR A 75 -7.546 -6.808 12.284 1.00 0.00 C ATOM 583 O TYR A 75 -8.409 -7.122 13.109 1.00 0.00 O ATOM 584 CB TYR A 75 -6.743 -5.210 10.295 1.00 0.00 C ATOM 585 CG TYR A 75 -5.930 -4.115 10.988 1.00 0.00 C ATOM 586 CD1 TYR A 75 -6.407 -2.811 11.269 1.00 0.00 C ATOM 587 CD2 TYR A 75 -4.715 -4.505 11.520 1.00 0.00 C ATOM 588 CE1 TYR A 75 -5.724 -2.002 12.180 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.032 -3.703 12.425 1.00 0.00 C ATOM 590 CZ TYR A 75 -4.551 -2.465 12.788 1.00 0.00 C ATOM 591 OH TYR A 75 -3.972 -1.735 13.781 1.00 0.00 O ATOM 0 H TYR A 75 -8.486 -3.997 11.870 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.339 -6.647 10.477 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.054 -5.997 9.989 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.169 -4.788 9.385 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.297 -2.443 10.780 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.288 -5.453 11.226 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.101 -1.018 12.416 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.097 -4.041 12.847 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.791 -2.315 14.550 1.00 0.00 H new ATOM 592 N SER A 76 -6.296 -7.329 12.276 1.00 0.00 N ATOM 593 CA SER A 76 -6.014 -8.668 12.849 1.00 0.00 C ATOM 594 C SER A 76 -4.632 -9.060 13.461 1.00 0.00 C ATOM 595 O SER A 76 -4.562 -10.154 14.031 1.00 0.00 O ATOM 596 CB SER A 76 -6.037 -9.531 11.513 1.00 0.00 C ATOM 597 OG SER A 76 -6.227 -10.918 11.750 1.00 0.00 O ATOM 0 H SER A 76 -5.481 -6.854 11.888 1.00 0.00 H new ATOM 0 HA SER A 76 -6.700 -8.778 13.689 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.834 -9.166 10.866 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.099 -9.385 10.977 1.00 0.00 H new ATOM 0 HG SER A 76 -5.812 -11.164 12.603 1.00 0.00 H new ATOM 598 N CYS A 77 -3.557 -8.262 13.334 1.00 0.00 N ATOM 599 CA CYS A 77 -2.181 -8.848 13.251 1.00 0.00 C ATOM 600 C CYS A 77 -1.590 -9.608 14.436 1.00 0.00 C ATOM 601 O CYS A 77 -1.860 -9.305 15.602 1.00 0.00 O ATOM 602 CB CYS A 77 -1.223 -7.761 12.741 1.00 0.00 C ATOM 603 SG CYS A 77 0.349 -8.479 12.188 1.00 0.00 S ATOM 0 H CYS A 77 -3.595 -7.244 13.287 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.309 -9.681 12.559 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.688 -7.220 11.917 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -1.036 -7.036 13.533 1.00 0.00 H new ATOM 604 N SER A 78 -0.777 -10.621 14.073 1.00 0.00 N ATOM 605 CA SER A 78 -0.123 -11.523 15.051 1.00 0.00 C ATOM 606 C SER A 78 1.385 -11.189 15.066 1.00 0.00 C ATOM 607 O SER A 78 1.794 -10.079 15.420 1.00 0.00 O ATOM 608 CB SER A 78 -0.640 -12.960 14.796 1.00 0.00 C ATOM 609 OG SER A 78 -2.040 -13.040 15.074 1.00 0.00 O ATOM 0 H SER A 78 -0.555 -10.838 13.102 1.00 0.00 H new ATOM 0 HA SER A 78 -0.382 -11.390 16.101 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.451 -13.243 13.761 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.097 -13.666 15.424 1.00 0.00 H new ATOM 0 HG SER A 78 -2.355 -13.953 14.907 1.00 0.00 H new ATOM 610 N ASN A 79 2.165 -12.179 14.675 1.00 0.00 N ATOM 611 CA ASN A 79 3.611 -12.088 14.363 1.00 0.00 C ATOM 612 C ASN A 79 4.021 -10.931 13.370 1.00 0.00 C ATOM 613 O ASN A 79 4.952 -10.164 13.616 1.00 0.00 O ATOM 614 CB ASN A 79 3.977 -13.469 13.695 1.00 0.00 C ATOM 615 CG ASN A 79 4.227 -14.636 14.650 1.00 0.00 C ATOM 616 OD1 ASN A 79 4.464 -14.481 15.849 1.00 0.00 O ATOM 617 ND2 ASN A 79 4.204 -15.848 14.125 1.00 0.00 N ATOM 0 H ASN A 79 1.805 -13.126 14.555 1.00 0.00 H new ATOM 0 HA ASN A 79 4.143 -11.864 15.288 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.169 -13.747 13.019 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.869 -13.329 13.085 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.383 -16.662 14.713 1.00 0.00 H new ATOM 0 HD22 ASN A 79 4.007 -15.970 13.132 1.00 0.00 H new ATOM 618 N THR A 80 3.276 -10.929 12.271 1.00 0.00 N ATOM 619 CA THR A 80 3.443 -10.115 11.053 1.00 0.00 C ATOM 620 C THR A 80 2.134 -10.140 10.123 1.00 0.00 C ATOM 621 O THR A 80 2.001 -9.289 9.246 1.00 0.00 O ATOM 622 CB THR A 80 4.614 -10.594 10.118 1.00 0.00 C ATOM 623 OG1 THR A 80 4.374 -11.891 9.572 1.00 0.00 O ATOM 624 CG2 THR A 80 5.989 -10.653 10.757 1.00 0.00 C ATOM 0 H THR A 80 2.468 -11.547 12.193 1.00 0.00 H new ATOM 0 HA THR A 80 3.653 -9.121 11.449 1.00 0.00 H new ATOM 0 HB THR A 80 4.622 -9.817 9.353 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.125 -12.148 8.997 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.717 -10.995 10.022 1.00 0.00 H new ATOM 0 HG22 THR A 80 6.269 -9.661 11.110 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.970 -11.345 11.599 1.00 0.00 H new ATOM 625 N GLU A 81 1.266 -11.143 10.337 1.00 0.00 N ATOM 626 CA GLU A 81 0.223 -11.595 9.402 1.00 0.00 C ATOM 627 C GLU A 81 -1.177 -11.101 9.701 1.00 0.00 C ATOM 628 O GLU A 81 -1.661 -11.194 10.833 1.00 0.00 O ATOM 629 CB GLU A 81 0.223 -13.157 9.569 1.00 0.00 C ATOM 630 CG GLU A 81 1.465 -13.712 8.873 1.00 0.00 C ATOM 631 CD GLU A 81 1.559 -15.216 8.825 1.00 0.00 C ATOM 632 OE1 GLU A 81 2.154 -15.731 9.948 1.00 0.00 O ATOM 633 OE2 GLU A 81 1.147 -15.893 7.883 1.00 0.00 O ATOM 0 H GLU A 81 1.273 -11.683 11.202 1.00 0.00 H new ATOM 0 HA GLU A 81 0.452 -11.213 8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.227 -13.426 10.625 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.680 -13.586 9.134 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.490 -13.330 7.852 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.349 -13.325 9.380 1.00 0.00 H new ATOM 634 N ILE A 82 -1.820 -10.612 8.630 1.00 0.00 N ATOM 635 CA ILE A 82 -3.051 -9.818 8.760 1.00 0.00 C ATOM 636 C ILE A 82 -4.117 -10.227 7.662 1.00 0.00 C ATOM 637 O ILE A 82 -3.871 -10.915 6.668 1.00 0.00 O ATOM 638 CB ILE A 82 -2.722 -8.267 8.754 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.366 -7.810 9.355 1.00 0.00 C ATOM 640 CG2 ILE A 82 -3.761 -7.474 9.570 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.276 -7.457 8.375 1.00 0.00 C ATOM 0 H ILE A 82 -1.510 -10.752 7.668 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.508 -10.039 9.725 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.713 -8.070 7.682 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.550 -6.941 9.987 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.996 -8.604 10.004 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.509 -6.414 9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.751 -7.621 9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.759 -7.826 10.602 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.618 -7.154 8.919 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.048 -8.325 7.756 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.610 -6.636 7.740 1.00 0.00 H new ATOM 642 N THR A 83 -5.303 -9.712 7.979 1.00 0.00 N ATOM 643 CA THR A 83 -6.497 -9.629 7.106 1.00 0.00 C ATOM 644 C THR A 83 -6.934 -8.117 7.104 1.00 0.00 C ATOM 645 O THR A 83 -6.041 -7.256 7.082 1.00 0.00 O ATOM 646 CB THR A 83 -7.545 -10.720 7.369 1.00 0.00 C ATOM 647 OG1 THR A 83 -8.466 -10.743 6.276 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.349 -10.631 8.658 1.00 0.00 C ATOM 0 H THR A 83 -5.478 -9.316 8.902 1.00 0.00 H new ATOM 0 HA THR A 83 -6.287 -9.894 6.070 1.00 0.00 H new ATOM 0 HB THR A 83 -6.953 -11.629 7.476 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.140 -11.437 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.049 -11.465 8.709 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.673 -10.672 9.512 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.902 -9.692 8.678 1.00 0.00 H new ATOM 649 N CYS A 84 -8.243 -7.748 7.027 1.00 0.00 N ATOM 650 CA CYS A 84 -8.616 -6.393 6.556 1.00 0.00 C ATOM 651 C CYS A 84 -9.798 -5.845 7.312 1.00 0.00 C ATOM 652 O CYS A 84 -9.568 -4.916 8.076 1.00 0.00 O ATOM 653 CB CYS A 84 -8.651 -6.344 5.035 1.00 0.00 C ATOM 654 SG CYS A 84 -10.176 -6.183 4.129 1.00 0.00 S ATOM 0 H CYS A 84 -9.029 -8.349 7.276 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.840 -5.670 6.807 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.017 -5.510 4.733 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.170 -7.255 4.680 1.00 0.00 H new ATOM 655 N ASN A 85 -11.019 -6.379 7.147 1.00 0.00 N ATOM 656 CA ASN A 85 -12.219 -5.838 7.820 1.00 0.00 C ATOM 657 C ASN A 85 -13.092 -6.945 8.464 1.00 0.00 C ATOM 658 O ASN A 85 -12.827 -8.144 8.316 1.00 0.00 O ATOM 659 CB ASN A 85 -12.933 -4.891 6.829 1.00 0.00 C ATOM 660 CG ASN A 85 -13.795 -5.470 5.709 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.730 -4.814 5.262 1.00 0.00 O ATOM 662 ND2 ASN A 85 -13.529 -6.672 5.208 1.00 0.00 N ATOM 0 H ASN A 85 -11.205 -7.187 6.553 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.946 -5.241 8.690 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.567 -4.225 7.415 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.167 -4.272 6.362 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -14.102 -7.048 4.453 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.752 -7.218 5.579 1.00 0.00 H new ATOM 663 N SER A 86 -14.139 -6.523 9.195 1.00 0.00 N ATOM 664 CA SER A 86 -15.143 -7.459 9.772 1.00 0.00 C ATOM 665 C SER A 86 -16.569 -6.862 9.578 1.00 0.00 C ATOM 666 O SER A 86 -17.297 -6.604 10.542 1.00 0.00 O ATOM 667 CB SER A 86 -14.810 -7.754 11.253 1.00 0.00 C ATOM 668 OG SER A 86 -13.563 -8.434 11.379 1.00 0.00 O ATOM 0 H SER A 86 -14.319 -5.541 9.405 1.00 0.00 H new ATOM 0 HA SER A 86 -15.113 -8.417 9.252 1.00 0.00 H new ATOM 0 HB2 SER A 86 -14.775 -6.820 11.813 1.00 0.00 H new ATOM 0 HB3 SER A 86 -15.603 -8.360 11.692 1.00 0.00 H new ATOM 0 HG SER A 86 -13.378 -8.606 12.326 1.00 0.00 H new ATOM 669 N LYS A 87 -16.951 -6.661 8.301 1.00 0.00 N ATOM 670 CA LYS A 87 -18.219 -6.010 7.910 1.00 0.00 C ATOM 671 C LYS A 87 -18.581 -6.373 6.441 1.00 0.00 C ATOM 672 O LYS A 87 -19.558 -7.093 6.224 1.00 0.00 O ATOM 673 CB LYS A 87 -18.315 -4.526 8.299 1.00 0.00 C ATOM 674 CG LYS A 87 -17.242 -3.551 7.829 1.00 0.00 C ATOM 675 CD LYS A 87 -16.170 -3.214 8.873 1.00 0.00 C ATOM 676 CE LYS A 87 -15.238 -2.062 8.452 1.00 0.00 C ATOM 677 NZ LYS A 87 -15.868 -0.733 8.561 1.00 0.00 N ATOM 0 H LYS A 87 -16.383 -6.948 7.504 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.022 -6.426 8.519 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.273 -4.155 7.935 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.346 -4.476 9.387 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.752 -3.969 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.725 -2.626 7.515 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.659 -2.950 9.811 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.570 -4.103 9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -14.342 -2.084 9.072 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.917 -2.221 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -15.462 -0.097 7.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -16.892 -0.821 8.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -15.694 -0.343 9.509 1.00 0.00 H new ATOM 678 N ASN A 88 -17.786 -5.894 5.472 1.00 0.00 N ATOM 679 CA ASN A 88 -17.863 -6.232 4.043 1.00 0.00 C ATOM 680 C ASN A 88 -19.160 -6.061 3.208 1.00 0.00 C ATOM 681 O ASN A 88 -20.199 -6.684 3.440 1.00 0.00 O ATOM 682 CB ASN A 88 -17.194 -7.583 3.625 1.00 0.00 C ATOM 683 CG ASN A 88 -17.761 -8.883 4.174 1.00 0.00 C ATOM 684 OD1 ASN A 88 -17.455 -9.285 5.296 1.00 0.00 O ATOM 685 ND2 ASN A 88 -18.582 -9.581 3.408 1.00 0.00 N ATOM 0 H ASN A 88 -17.038 -5.230 5.673 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.271 -5.360 3.766 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.224 -7.643 2.537 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.144 -7.534 3.912 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.969 -10.462 3.745 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -18.829 -9.238 2.480 1.00 0.00 H new ATOM 686 N ASN A 89 -18.957 -5.301 2.131 1.00 0.00 N ATOM 687 CA ASN A 89 -19.563 -5.596 0.810 1.00 0.00 C ATOM 688 C ASN A 89 -18.279 -5.564 -0.084 1.00 0.00 C ATOM 689 O ASN A 89 -17.384 -6.391 0.131 1.00 0.00 O ATOM 690 CB ASN A 89 -20.814 -4.790 0.459 1.00 0.00 C ATOM 691 CG ASN A 89 -20.757 -3.267 0.472 1.00 0.00 C ATOM 692 OD1 ASN A 89 -20.472 -2.644 1.494 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.061 -2.628 -0.644 1.00 0.00 N ATOM 0 H ASN A 89 -18.372 -4.465 2.138 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.086 -6.546 0.696 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -21.130 -5.096 -0.538 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.601 -5.093 1.149 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -21.061 -1.608 -0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -21.296 -3.155 -1.485 1.00 0.00 H new ATOM 694 N ALA A 90 -18.190 -4.717 -1.113 1.00 0.00 N ATOM 695 CA ALA A 90 -16.887 -4.291 -1.693 1.00 0.00 C ATOM 696 C ALA A 90 -16.482 -2.840 -1.289 1.00 0.00 C ATOM 697 O ALA A 90 -15.299 -2.596 -1.094 1.00 0.00 O ATOM 698 CB ALA A 90 -16.830 -4.543 -3.191 1.00 0.00 C ATOM 0 H ALA A 90 -19.002 -4.304 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.121 -4.925 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.864 -4.219 -3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.961 -5.607 -3.386 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.625 -3.983 -3.685 1.00 0.00 H new ATOM 699 N CYS A 91 -17.405 -1.866 -1.185 1.00 0.00 N ATOM 700 CA CYS A 91 -17.137 -0.488 -0.631 1.00 0.00 C ATOM 701 C CYS A 91 -16.005 -0.313 0.442 1.00 0.00 C ATOM 702 O CYS A 91 -15.172 0.574 0.315 1.00 0.00 O ATOM 703 CB CYS A 91 -18.439 -0.111 0.109 1.00 0.00 C ATOM 704 SG CYS A 91 -19.820 0.314 -0.959 1.00 0.00 S ATOM 0 H CYS A 91 -18.373 -1.996 -1.481 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.816 0.110 -1.484 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.734 -0.946 0.744 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -18.234 0.733 0.767 1.00 0.00 H new ATOM 705 N GLU A 92 -16.068 -1.142 1.481 1.00 0.00 N ATOM 706 CA GLU A 92 -15.082 -1.249 2.557 1.00 0.00 C ATOM 707 C GLU A 92 -14.027 -2.337 2.254 1.00 0.00 C ATOM 708 O GLU A 92 -12.832 -2.036 2.214 1.00 0.00 O ATOM 709 CB GLU A 92 -15.768 -1.541 3.929 1.00 0.00 C ATOM 710 CG GLU A 92 -16.887 -2.598 3.915 1.00 0.00 C ATOM 711 CD GLU A 92 -18.287 -2.080 4.192 1.00 0.00 C ATOM 712 OE1 GLU A 92 -18.753 -1.065 3.673 1.00 0.00 O ATOM 713 OE2 GLU A 92 -18.979 -2.888 5.056 1.00 0.00 O ATOM 0 H GLU A 92 -16.846 -1.790 1.603 1.00 0.00 H new ATOM 0 HA GLU A 92 -14.575 -0.286 2.619 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -15.002 -1.862 4.634 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -16.182 -0.608 4.311 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.887 -3.087 2.941 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.649 -3.362 4.655 1.00 0.00 H new ATOM 714 N ALA A 93 -14.496 -3.587 2.076 1.00 0.00 N ATOM 715 CA ALA A 93 -13.634 -4.751 1.929 1.00 0.00 C ATOM 716 C ALA A 93 -12.795 -4.864 0.678 1.00 0.00 C ATOM 717 O ALA A 93 -11.741 -5.501 0.768 1.00 0.00 O ATOM 718 CB ALA A 93 -14.430 -6.046 2.018 1.00 0.00 C ATOM 0 H ALA A 93 -15.491 -3.807 2.031 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.942 -4.595 2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.757 -6.896 1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.925 -6.103 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.179 -6.068 1.226 1.00 0.00 H new ATOM 719 N PHE A 94 -13.236 -4.311 -0.477 1.00 0.00 N ATOM 720 CA PHE A 94 -12.316 -4.340 -1.666 1.00 0.00 C ATOM 721 C PHE A 94 -11.104 -3.420 -1.432 1.00 0.00 C ATOM 722 O PHE A 94 -9.999 -3.751 -1.872 1.00 0.00 O ATOM 723 CB PHE A 94 -13.123 -4.063 -2.938 1.00 0.00 C ATOM 724 CG PHE A 94 -12.412 -3.665 -4.234 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.732 -2.444 -4.285 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.738 -4.290 -5.446 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.310 -1.895 -5.487 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.331 -3.738 -6.664 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.598 -2.547 -6.678 1.00 0.00 C ATOM 0 H PHE A 94 -14.145 -3.870 -0.621 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.880 -5.329 -1.805 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -13.705 -4.959 -3.152 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.833 -3.270 -2.703 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.530 -1.915 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.309 -5.207 -5.438 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.760 -0.965 -5.496 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.582 -4.230 -7.592 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.256 -2.135 -7.616 1.00 0.00 H new ATOM 730 N ILE A 95 -11.343 -2.261 -0.784 1.00 0.00 N ATOM 731 CA ILE A 95 -10.296 -1.258 -0.552 1.00 0.00 C ATOM 732 C ILE A 95 -9.284 -1.840 0.477 1.00 0.00 C ATOM 733 O ILE A 95 -8.092 -1.853 0.168 1.00 0.00 O ATOM 734 CB ILE A 95 -10.825 0.109 -0.049 1.00 0.00 C ATOM 735 CG1 ILE A 95 -12.160 0.667 -0.537 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.705 1.170 -0.221 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.959 0.114 -1.690 1.00 0.00 C ATOM 0 H ILE A 95 -12.257 -2.001 -0.413 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.826 -1.055 -1.514 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.083 -0.119 0.985 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -12.826 0.647 0.326 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -11.978 1.715 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -10.064 2.138 0.129 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.832 0.875 0.360 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -9.432 1.244 -1.274 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -13.867 0.703 -1.819 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.363 0.162 -2.602 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -13.225 -0.923 -1.484 1.00 0.00 H new ATOM 738 N CYS A 96 -9.781 -2.353 1.639 1.00 0.00 N ATOM 739 CA CYS A 96 -8.914 -3.023 2.616 1.00 0.00 C ATOM 740 C CYS A 96 -8.230 -4.309 2.120 1.00 0.00 C ATOM 741 O CYS A 96 -7.147 -4.578 2.630 1.00 0.00 O ATOM 742 CB CYS A 96 -9.586 -3.127 3.982 1.00 0.00 C ATOM 743 SG CYS A 96 -10.879 -4.324 4.220 1.00 0.00 S ATOM 0 H CYS A 96 -10.764 -2.310 1.907 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.054 -2.367 2.752 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -8.808 -3.334 4.716 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -9.998 -2.147 4.221 1.00 0.00 H new ATOM 744 N ASN A 97 -8.763 -5.063 1.129 1.00 0.00 N ATOM 745 CA ASN A 97 -8.032 -6.251 0.568 1.00 0.00 C ATOM 746 C ASN A 97 -6.896 -5.921 -0.406 1.00 0.00 C ATOM 747 O ASN A 97 -5.889 -6.631 -0.377 1.00 0.00 O ATOM 748 CB ASN A 97 -9.067 -7.200 -0.038 1.00 0.00 C ATOM 749 CG ASN A 97 -8.634 -8.638 -0.325 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.583 -9.121 0.099 1.00 0.00 O ATOM 751 ND2 ASN A 97 -9.462 -9.371 -1.046 1.00 0.00 N ATOM 0 H ASN A 97 -9.673 -4.886 0.703 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.505 -6.732 1.392 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.923 -7.236 0.636 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -9.416 -6.762 -0.973 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -9.233 -10.343 -1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -10.331 -8.966 -1.394 1.00 0.00 H new ATOM 752 N CYS A 98 -7.029 -4.871 -1.236 1.00 0.00 N ATOM 753 CA CYS A 98 -5.844 -4.322 -1.946 1.00 0.00 C ATOM 754 C CYS A 98 -4.762 -3.727 -0.978 1.00 0.00 C ATOM 755 O CYS A 98 -3.575 -3.905 -1.252 1.00 0.00 O ATOM 756 CB CYS A 98 -6.187 -3.371 -3.100 1.00 0.00 C ATOM 757 SG CYS A 98 -4.888 -3.625 -4.343 1.00 0.00 S ATOM 0 H CYS A 98 -7.909 -4.395 -1.432 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.387 -5.191 -2.419 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -7.172 -3.593 -3.511 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.209 -2.335 -2.761 1.00 0.00 H new ATOM 758 N ASP A 99 -5.174 -3.110 0.156 1.00 0.00 N ATOM 759 CA ASP A 99 -4.274 -2.723 1.265 1.00 0.00 C ATOM 760 C ASP A 99 -3.520 -3.918 1.898 1.00 0.00 C ATOM 761 O ASP A 99 -2.297 -3.921 1.821 1.00 0.00 O ATOM 762 CB ASP A 99 -5.013 -1.947 2.364 1.00 0.00 C ATOM 763 CG ASP A 99 -5.456 -0.524 2.107 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.507 0.386 2.479 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.572 -0.226 1.696 1.00 0.00 O ATOM 0 H ASP A 99 -6.150 -2.866 0.326 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.531 -2.073 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.901 -2.522 2.628 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.369 -1.934 3.243 1.00 0.00 H new ATOM 766 N ARG A 100 -4.195 -4.900 2.501 1.00 0.00 N ATOM 767 CA ARG A 100 -3.510 -6.055 3.117 1.00 0.00 C ATOM 768 C ARG A 100 -2.842 -7.041 2.147 1.00 0.00 C ATOM 769 O ARG A 100 -1.925 -7.714 2.601 1.00 0.00 O ATOM 770 CB ARG A 100 -4.365 -6.733 4.182 1.00 0.00 C ATOM 771 CG ARG A 100 -5.675 -7.381 3.793 1.00 0.00 C ATOM 772 CD ARG A 100 -5.703 -8.612 2.907 1.00 0.00 C ATOM 773 NE ARG A 100 -4.883 -9.688 3.488 1.00 0.00 N ATOM 774 CZ ARG A 100 -4.353 -10.708 2.791 1.00 0.00 C ATOM 775 NH1 ARG A 100 -4.501 -10.875 1.479 1.00 0.00 N ATOM 776 NH2 ARG A 100 -3.641 -11.601 3.449 1.00 0.00 N ATOM 0 H ARG A 100 -5.212 -4.925 2.579 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.654 -5.612 3.625 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.750 -7.500 4.653 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.585 -5.987 4.946 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.190 -7.641 4.718 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.275 -6.617 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -6.730 -8.956 2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.331 -8.360 1.914 1.00 0.00 H new ATOM 0 HE ARG A 100 -4.704 -9.657 4.492 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.046 -10.204 0.938 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.070 -11.674 1.015 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -3.507 -11.505 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -3.224 -12.388 2.952 1.00 0.00 H new ATOM 777 N ASN A 101 -3.230 -7.145 0.856 1.00 0.00 N ATOM 778 CA ASN A 101 -2.375 -7.868 -0.134 1.00 0.00 C ATOM 779 C ASN A 101 -1.148 -6.988 -0.603 1.00 0.00 C ATOM 780 O ASN A 101 -0.192 -7.538 -1.153 1.00 0.00 O ATOM 781 CB ASN A 101 -3.260 -8.343 -1.303 1.00 0.00 C ATOM 782 CG ASN A 101 -2.608 -9.378 -2.224 1.00 0.00 C ATOM 783 OD1 ASN A 101 -1.956 -9.031 -3.208 1.00 0.00 O ATOM 784 ND2 ASN A 101 -2.766 -10.659 -1.935 1.00 0.00 N ATOM 0 H ASN A 101 -4.094 -6.757 0.478 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.931 -8.745 0.337 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -4.178 -8.767 -0.896 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -3.546 -7.476 -1.899 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -2.345 -11.372 -2.531 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -3.309 -10.934 -1.116 1.00 0.00 H new ATOM 785 N ALA A 102 -1.174 -5.661 -0.363 1.00 0.00 N ATOM 786 CA ALA A 102 0.028 -4.823 -0.320 1.00 0.00 C ATOM 787 C ALA A 102 0.792 -4.952 1.039 1.00 0.00 C ATOM 788 O ALA A 102 1.993 -4.805 0.942 1.00 0.00 O ATOM 789 CB ALA A 102 -0.316 -3.379 -0.686 1.00 0.00 C ATOM 0 H ALA A 102 -2.037 -5.144 -0.194 1.00 0.00 H new ATOM 0 HA ALA A 102 0.727 -5.187 -1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.587 -2.769 -0.649 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.734 -3.348 -1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.046 -2.988 0.022 1.00 0.00 H new ATOM 790 N ALA A 103 0.227 -5.257 2.245 1.00 0.00 N ATOM 791 CA ALA A 103 1.057 -5.683 3.446 1.00 0.00 C ATOM 792 C ALA A 103 1.882 -7.033 3.322 1.00 0.00 C ATOM 793 O ALA A 103 2.749 -7.314 4.138 1.00 0.00 O ATOM 794 CB ALA A 103 0.175 -5.790 4.705 1.00 0.00 C ATOM 0 H ALA A 103 -0.777 -5.221 2.424 1.00 0.00 H new ATOM 0 HA ALA A 103 1.800 -4.888 3.509 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.787 -6.096 5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.278 -4.821 4.915 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.609 -6.529 4.538 1.00 0.00 H new ATOM 795 N ILE A 104 1.487 -7.799 2.329 1.00 0.00 N ATOM 796 CA ILE A 104 2.021 -9.091 1.793 1.00 0.00 C ATOM 797 C ILE A 104 3.054 -8.908 0.663 1.00 0.00 C ATOM 798 O ILE A 104 3.956 -9.705 0.452 1.00 0.00 O ATOM 799 CB ILE A 104 0.693 -9.729 1.242 1.00 0.00 C ATOM 800 CG1 ILE A 104 -0.175 -10.465 2.270 1.00 0.00 C ATOM 801 CG2 ILE A 104 0.761 -10.534 -0.064 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.144 -9.937 3.692 1.00 0.00 C ATOM 0 H ILE A 104 0.672 -7.515 1.785 1.00 0.00 H new ATOM 0 HA ILE A 104 2.563 -9.679 2.533 1.00 0.00 H new ATOM 0 HB ILE A 104 0.191 -8.798 0.977 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.208 -10.443 1.921 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.133 -11.511 2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 104 -0.232 -10.909 -0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.119 -9.892 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.445 -11.374 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.798 -10.542 4.319 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.875 -9.986 4.076 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.486 -8.902 3.703 1.00 0.00 H new ATOM 803 N CYS A 105 2.818 -7.930 -0.195 1.00 0.00 N ATOM 804 CA CYS A 105 3.919 -7.398 -1.023 1.00 0.00 C ATOM 805 C CYS A 105 4.990 -6.693 -0.107 1.00 0.00 C ATOM 806 O CYS A 105 6.188 -6.930 -0.212 1.00 0.00 O ATOM 807 CB CYS A 105 3.371 -6.369 -1.996 1.00 0.00 C ATOM 808 SG CYS A 105 2.363 -7.007 -3.318 1.00 0.00 S ATOM 0 H CYS A 105 1.909 -7.491 -0.344 1.00 0.00 H new ATOM 0 HA CYS A 105 4.380 -8.224 -1.564 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.783 -5.644 -1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.210 -5.828 -2.434 1.00 0.00 H new ATOM 809 N PHE A 106 4.503 -5.893 0.833 1.00 0.00 N ATOM 810 CA PHE A 106 5.339 -5.039 1.687 1.00 0.00 C ATOM 811 C PHE A 106 6.043 -5.763 2.807 1.00 0.00 C ATOM 812 O PHE A 106 7.220 -5.463 3.021 1.00 0.00 O ATOM 813 CB PHE A 106 4.547 -3.805 2.084 1.00 0.00 C ATOM 814 CG PHE A 106 4.175 -2.877 0.866 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.723 -2.934 -0.459 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.091 -2.036 1.080 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.204 -2.131 -1.471 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.587 -1.220 0.073 1.00 0.00 C ATOM 819 CZ PHE A 106 3.137 -1.277 -1.201 1.00 0.00 C ATOM 0 H PHE A 106 3.506 -5.813 1.031 1.00 0.00 H new ATOM 0 HA PHE A 106 6.196 -4.697 1.106 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.631 -4.117 2.586 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.125 -3.229 2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.543 -3.604 -0.672 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.627 -2.015 2.055 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.628 -2.170 -2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.771 -0.544 0.281 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.735 -0.655 -1.987 1.00 0.00 H new ATOM 820 N SER A 107 5.421 -6.759 3.463 1.00 0.00 N ATOM 821 CA SER A 107 6.226 -7.644 4.336 1.00 0.00 C ATOM 822 C SER A 107 7.268 -8.558 3.602 1.00 0.00 C ATOM 823 O SER A 107 8.264 -8.944 4.220 1.00 0.00 O ATOM 824 CB SER A 107 5.408 -8.565 5.273 1.00 0.00 C ATOM 825 OG SER A 107 4.426 -9.348 4.614 1.00 0.00 O ATOM 0 H SER A 107 4.424 -6.968 3.416 1.00 0.00 H new ATOM 0 HA SER A 107 6.754 -6.892 4.922 1.00 0.00 H new ATOM 0 HB2 SER A 107 6.094 -9.230 5.798 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.918 -7.951 6.029 1.00 0.00 H new ATOM 0 HG SER A 107 3.646 -8.791 4.411 1.00 0.00 H new ATOM 826 N LYS A 108 7.008 -8.896 2.327 1.00 0.00 N ATOM 827 CA LYS A 108 7.614 -10.059 1.683 1.00 0.00 C ATOM 828 C LYS A 108 7.989 -9.778 0.218 1.00 0.00 C ATOM 829 O LYS A 108 9.191 -9.606 0.012 1.00 0.00 O ATOM 830 CB LYS A 108 6.806 -11.371 1.925 1.00 0.00 C ATOM 831 CG LYS A 108 5.360 -11.291 2.452 1.00 0.00 C ATOM 832 CD LYS A 108 4.377 -12.352 1.958 1.00 0.00 C ATOM 833 CE LYS A 108 4.436 -12.802 0.494 1.00 0.00 C ATOM 834 NZ LYS A 108 3.297 -13.677 0.163 1.00 0.00 N ATOM 0 H LYS A 108 6.376 -8.371 1.723 1.00 0.00 H new ATOM 0 HA LYS A 108 8.567 -10.249 2.176 1.00 0.00 H new ATOM 0 HB2 LYS A 108 6.779 -11.916 0.981 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.376 -11.979 2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.394 -11.342 3.540 1.00 0.00 H new ATOM 0 HG3 LYS A 108 4.959 -10.311 2.191 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.511 -13.238 2.579 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.370 -11.980 2.146 1.00 0.00 H new ATOM 0 HE2 LYS A 108 4.430 -11.929 -0.159 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.371 -13.331 0.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.223 -13.775 -0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.443 -14.614 0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.420 -13.260 0.534 1.00 0.00 H new ATOM 835 N ALA A 109 7.075 -9.799 -0.801 1.00 0.00 N ATOM 836 CA ALA A 109 7.495 -9.743 -2.254 1.00 0.00 C ATOM 837 C ALA A 109 8.755 -10.662 -2.568 1.00 0.00 C ATOM 838 O ALA A 109 8.976 -11.645 -1.851 1.00 0.00 O ATOM 839 CB ALA A 109 7.521 -8.271 -2.710 1.00 0.00 C ATOM 0 H ALA A 109 6.067 -9.853 -0.658 1.00 0.00 H new ATOM 0 HA ALA A 109 6.757 -10.216 -2.902 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.823 -8.219 -3.756 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.527 -7.837 -2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.232 -7.714 -2.100 1.00 0.00 H new ATOM 840 N PRO A 110 9.583 -10.402 -3.576 1.00 0.00 N ATOM 841 CA PRO A 110 10.995 -10.938 -3.683 1.00 0.00 C ATOM 842 C PRO A 110 12.103 -9.807 -3.315 1.00 0.00 C ATOM 843 O PRO A 110 13.148 -9.656 -3.949 1.00 0.00 O ATOM 844 CB PRO A 110 11.018 -11.130 -5.212 1.00 0.00 C ATOM 845 CG PRO A 110 10.378 -9.828 -5.662 1.00 0.00 C ATOM 846 CD PRO A 110 9.203 -9.625 -4.745 1.00 0.00 C ATOM 0 HA PRO A 110 11.213 -11.792 -3.042 1.00 0.00 H new ATOM 0 HB2 PRO A 110 12.029 -11.251 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 110 10.448 -12.004 -5.529 1.00 0.00 H new ATOM 0 HG2 PRO A 110 11.081 -8.998 -5.589 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.059 -9.886 -6.703 1.00 0.00 H new ATOM 0 HD2 PRO A 110 9.054 -8.573 -4.503 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.275 -9.985 -5.188 1.00 0.00 H new ATOM 847 N TYR A 111 11.717 -9.117 -2.259 1.00 0.00 N ATOM 848 CA TYR A 111 12.138 -7.743 -1.873 1.00 0.00 C ATOM 849 C TYR A 111 13.626 -7.287 -2.036 1.00 0.00 C ATOM 850 O TYR A 111 14.525 -8.137 -2.031 1.00 0.00 O ATOM 851 CB TYR A 111 12.138 -7.966 -0.249 1.00 0.00 C ATOM 852 CG TYR A 111 11.646 -6.783 0.531 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.281 -6.691 0.561 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.426 -5.785 1.163 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.656 -5.624 1.171 1.00 0.00 C ATOM 856 CE2 TYR A 111 11.786 -4.741 1.838 1.00 0.00 C ATOM 857 CZ TYR A 111 10.391 -4.661 1.846 1.00 0.00 C ATOM 858 OH TYR A 111 9.803 -3.593 2.442 1.00 0.00 O ATOM 0 H TYR A 111 11.056 -9.510 -1.589 1.00 0.00 H new ATOM 0 HA TYR A 111 11.529 -7.043 -2.445 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.516 -8.829 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.151 -8.205 0.074 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.685 -7.465 0.100 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.504 -5.829 1.124 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.581 -5.537 1.123 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.371 -3.995 2.354 1.00 0.00 H new ATOM 0 HH TYR A 111 8.979 -3.364 1.964 1.00 0.00 H new ATOM 859 N ASN A 112 13.894 -5.967 -2.158 1.00 0.00 N ATOM 860 CA ASN A 112 15.282 -5.455 -2.163 1.00 0.00 C ATOM 861 C ASN A 112 15.258 -4.098 -1.413 1.00 0.00 C ATOM 862 O ASN A 112 14.750 -3.083 -1.898 1.00 0.00 O ATOM 863 CB ASN A 112 15.882 -5.286 -3.574 1.00 0.00 C ATOM 864 CG ASN A 112 16.222 -6.587 -4.299 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.204 -7.255 -3.976 1.00 0.00 O ATOM 866 ND2 ASN A 112 15.432 -6.982 -5.283 1.00 0.00 N ATOM 0 H ASN A 112 13.178 -5.247 -2.253 1.00 0.00 H new ATOM 0 HA ASN A 112 15.927 -6.185 -1.674 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.177 -4.722 -4.185 1.00 0.00 H new ATOM 0 HB3 ASN A 112 16.788 -4.685 -3.496 1.00 0.00 H new ATOM 0 HD21 ASN A 112 15.634 -7.848 -5.783 1.00 0.00 H new ATOM 0 HD22 ASN A 112 14.621 -6.421 -5.542 1.00 0.00 H new ATOM 867 N LYS A 113 15.877 -4.159 -0.230 1.00 0.00 N ATOM 868 CA LYS A 113 15.994 -3.075 0.764 1.00 0.00 C ATOM 869 C LYS A 113 17.317 -2.329 0.844 1.00 0.00 C ATOM 870 O LYS A 113 18.074 -2.261 1.814 1.00 0.00 O ATOM 871 CB LYS A 113 15.496 -3.655 2.070 1.00 0.00 C ATOM 872 CG LYS A 113 16.124 -4.949 2.610 1.00 0.00 C ATOM 873 CD LYS A 113 17.627 -5.061 2.823 1.00 0.00 C ATOM 874 CE LYS A 113 18.434 -5.536 1.603 1.00 0.00 C ATOM 875 NZ LYS A 113 19.852 -5.737 1.950 1.00 0.00 N ATOM 0 H LYS A 113 16.338 -5.013 0.082 1.00 0.00 H new ATOM 0 HA LYS A 113 15.377 -2.236 0.441 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.617 -2.889 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.426 -3.831 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.649 -5.159 3.568 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.837 -5.751 1.930 1.00 0.00 H new ATOM 0 HD2 LYS A 113 18.006 -4.087 3.131 1.00 0.00 H new ATOM 0 HD3 LYS A 113 17.809 -5.750 3.648 1.00 0.00 H new ATOM 0 HE2 LYS A 113 18.013 -6.468 1.225 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.353 -4.802 0.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 20.373 -6.057 1.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 20.257 -4.841 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 19.928 -6.455 2.698 1.00 0.00 H new ATOM 876 N GLU A 114 17.539 -1.695 -0.284 1.00 0.00 N ATOM 877 CA GLU A 114 18.871 -1.699 -0.891 1.00 0.00 C ATOM 878 C GLU A 114 18.995 -0.343 -1.576 1.00 0.00 C ATOM 879 O GLU A 114 19.866 0.456 -1.225 1.00 0.00 O ATOM 880 CB GLU A 114 18.858 -3.094 -1.569 1.00 0.00 C ATOM 881 CG GLU A 114 19.388 -3.138 -2.952 1.00 0.00 C ATOM 882 CD GLU A 114 20.875 -3.043 -3.155 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.493 -4.260 -3.026 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.460 -1.990 -3.408 1.00 0.00 O ATOM 0 H GLU A 114 16.832 -1.173 -0.802 1.00 0.00 H new ATOM 0 HA GLU A 114 19.820 -1.691 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.438 -3.782 -0.954 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.833 -3.463 -1.580 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.050 -4.069 -3.407 1.00 0.00 H new ATOM 0 HG3 GLU A 114 18.925 -2.324 -3.510 1.00 0.00 H new ATOM 885 N HIS A 115 18.048 -0.067 -2.497 1.00 0.00 N ATOM 886 CA HIS A 115 17.615 1.267 -2.846 1.00 0.00 C ATOM 887 C HIS A 115 16.418 1.527 -1.829 1.00 0.00 C ATOM 888 O HIS A 115 15.263 1.136 -1.970 1.00 0.00 O ATOM 889 CB HIS A 115 17.341 1.354 -4.368 1.00 0.00 C ATOM 890 CG HIS A 115 16.195 0.535 -4.947 1.00 0.00 C ATOM 891 ND1 HIS A 115 14.883 0.905 -4.734 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.302 -0.866 -4.994 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.368 -0.340 -4.453 1.00 0.00 C ATOM 894 NE2 HIS A 115 15.095 -1.467 -4.734 1.00 0.00 N ATOM 0 H HIS A 115 17.563 -0.796 -3.021 1.00 0.00 H new ATOM 0 HA HIS A 115 18.337 2.075 -2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.158 2.400 -4.613 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.254 1.060 -4.887 1.00 0.00 H new ATOM 0 HD2 HIS A 115 17.216 -1.401 -5.207 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.387 -0.429 -4.009 1.00 0.00 H new ATOM 0 HE2 HIS A 115 14.823 -2.450 -4.746 1.00 0.00 H new ATOM 895 N LYS A 116 16.762 2.232 -0.784 1.00 0.00 N ATOM 896 CA LYS A 116 15.935 2.900 0.197 1.00 0.00 C ATOM 897 C LYS A 116 16.424 4.363 0.099 1.00 0.00 C ATOM 898 O LYS A 116 17.557 4.680 -0.315 1.00 0.00 O ATOM 899 CB LYS A 116 16.421 2.193 1.475 1.00 0.00 C ATOM 900 CG LYS A 116 16.186 2.977 2.738 1.00 0.00 C ATOM 901 CD LYS A 116 15.052 2.402 3.538 1.00 0.00 C ATOM 902 CE LYS A 116 14.680 3.383 4.656 1.00 0.00 C ATOM 903 NZ LYS A 116 14.162 2.748 5.877 1.00 0.00 N ATOM 0 H LYS A 116 17.750 2.371 -0.571 1.00 0.00 H new ATOM 0 HA LYS A 116 14.848 2.877 0.117 1.00 0.00 H new ATOM 0 HB2 LYS A 116 15.917 1.230 1.559 1.00 0.00 H new ATOM 0 HB3 LYS A 116 17.487 1.988 1.381 1.00 0.00 H new ATOM 0 HG2 LYS A 116 17.094 2.979 3.341 1.00 0.00 H new ATOM 0 HG3 LYS A 116 15.967 4.015 2.488 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.191 2.221 2.894 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.340 1.440 3.962 1.00 0.00 H new ATOM 0 HE2 LYS A 116 15.560 3.972 4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 116 13.931 4.079 4.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 13.547 3.417 6.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 13.616 1.900 5.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 14.956 2.477 6.491 1.00 0.00 H new ATOM 904 N ASN A 117 15.599 5.279 0.642 1.00 0.00 N ATOM 905 CA ASN A 117 16.126 6.649 1.006 1.00 0.00 C ATOM 906 C ASN A 117 16.388 7.615 -0.205 1.00 0.00 C ATOM 907 O ASN A 117 16.936 8.710 -0.068 1.00 0.00 O ATOM 908 CB ASN A 117 17.354 6.431 1.962 1.00 0.00 C ATOM 909 CG ASN A 117 17.364 7.286 3.211 1.00 0.00 C ATOM 910 OD1 ASN A 117 17.796 8.439 3.191 1.00 0.00 O ATOM 911 ND2 ASN A 117 16.892 6.755 4.326 1.00 0.00 N ATOM 0 H ASN A 117 14.610 5.128 0.839 1.00 0.00 H new ATOM 0 HA ASN A 117 15.348 7.206 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.380 5.383 2.260 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.268 6.626 1.401 1.00 0.00 H new ATOM 0 HD21 ASN A 117 16.882 7.302 5.187 1.00 0.00 H new ATOM 0 HD22 ASN A 117 16.538 5.798 4.325 1.00 0.00 H new ATOM 912 N LEU A 118 15.913 7.119 -1.348 1.00 0.00 N ATOM 913 CA LEU A 118 16.012 7.689 -2.681 1.00 0.00 C ATOM 914 C LEU A 118 15.314 9.077 -2.922 1.00 0.00 C ATOM 915 O LEU A 118 14.586 9.696 -2.148 1.00 0.00 O ATOM 916 CB LEU A 118 15.376 6.644 -3.665 1.00 0.00 C ATOM 917 CG LEU A 118 16.183 5.393 -3.935 1.00 0.00 C ATOM 918 CD1 LEU A 118 15.793 4.204 -3.138 1.00 0.00 C ATOM 919 CD2 LEU A 118 16.083 4.928 -5.376 1.00 0.00 C ATOM 0 H LEU A 118 15.407 6.233 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 118 17.071 7.891 -2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.407 6.345 -3.266 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.189 7.141 -4.617 1.00 0.00 H new ATOM 0 HG LEU A 118 17.186 5.720 -3.663 1.00 0.00 H new ATOM 0 HD11 LEU A 118 16.431 3.361 -3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 118 15.908 4.424 -2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.753 3.952 -3.345 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.682 4.027 -5.510 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.042 4.711 -5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 118 16.453 5.711 -6.038 1.00 0.00 H new ATOM 920 N ASP A 119 15.687 9.425 -4.126 1.00 0.00 N ATOM 921 CA ASP A 119 15.365 10.546 -4.967 1.00 0.00 C ATOM 922 C ASP A 119 14.655 9.891 -6.214 1.00 0.00 C ATOM 923 O ASP A 119 13.915 8.915 -6.034 1.00 0.00 O ATOM 924 CB ASP A 119 16.804 11.069 -5.113 1.00 0.00 C ATOM 925 CG ASP A 119 17.063 12.539 -5.304 1.00 0.00 C ATOM 926 OD1 ASP A 119 16.014 13.202 -5.892 1.00 0.00 O ATOM 927 OD2 ASP A 119 18.116 13.077 -4.966 1.00 0.00 O ATOM 0 H ASP A 119 16.339 8.816 -4.621 1.00 0.00 H new ATOM 0 HA ASP A 119 14.693 11.356 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 119 17.352 10.758 -4.224 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.251 10.550 -5.961 1.00 0.00 H new ATOM 928 N THR A 120 14.807 10.452 -7.430 1.00 0.00 N ATOM 929 CA THR A 120 14.145 9.960 -8.683 1.00 0.00 C ATOM 930 C THR A 120 15.000 10.211 -9.979 1.00 0.00 C ATOM 931 O THR A 120 14.536 10.883 -10.905 1.00 0.00 O ATOM 932 CB THR A 120 12.680 10.490 -8.808 1.00 0.00 C ATOM 933 OG1 THR A 120 12.609 11.902 -8.963 1.00 0.00 O ATOM 934 CG2 THR A 120 11.870 10.055 -7.582 1.00 0.00 C ATOM 0 H THR A 120 15.397 11.269 -7.585 1.00 0.00 H new ATOM 0 HA THR A 120 14.083 8.876 -8.593 1.00 0.00 H new ATOM 0 HB THR A 120 12.258 10.055 -9.714 1.00 0.00 H new ATOM 0 HG1 THR A 120 13.183 12.179 -9.707 1.00 0.00 H new ATOM 0 HG21 THR A 120 10.849 10.425 -7.671 1.00 0.00 H new ATOM 0 HG22 THR A 120 11.857 8.967 -7.522 1.00 0.00 H new ATOM 0 HG23 THR A 120 12.327 10.463 -6.680 1.00 0.00 H new ATOM 935 N LYS A 121 16.221 9.619 -10.070 1.00 0.00 N ATOM 936 CA LYS A 121 17.197 9.842 -11.210 1.00 0.00 C ATOM 937 C LYS A 121 18.082 8.549 -11.420 1.00 0.00 C ATOM 938 O LYS A 121 17.879 7.817 -12.390 1.00 0.00 O ATOM 939 CB LYS A 121 18.093 11.081 -10.946 1.00 0.00 C ATOM 940 CG LYS A 121 17.307 12.389 -10.859 1.00 0.00 C ATOM 941 CD LYS A 121 18.049 13.540 -10.174 1.00 0.00 C ATOM 942 CE LYS A 121 18.031 13.351 -8.638 1.00 0.00 C ATOM 943 NZ LYS A 121 18.667 14.483 -7.943 1.00 0.00 N ATOM 0 H LYS A 121 16.571 8.972 -9.364 1.00 0.00 H new ATOM 0 HA LYS A 121 16.627 10.034 -12.119 1.00 0.00 H new ATOM 0 HB2 LYS A 121 18.641 10.932 -10.016 1.00 0.00 H new ATOM 0 HB3 LYS A 121 18.833 11.162 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.034 12.700 -11.867 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.378 12.203 -10.321 1.00 0.00 H new ATOM 0 HD2 LYS A 121 19.078 13.581 -10.530 1.00 0.00 H new ATOM 0 HD3 LYS A 121 17.583 14.490 -10.436 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.001 13.246 -8.296 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.549 12.427 -8.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 18.667 14.306 -6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 19.647 14.589 -8.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 18.137 15.355 -8.143 1.00 0.00 H new ATOM 944 N LYS A 122 18.972 8.254 -10.451 1.00 0.00 N ATOM 945 CA LYS A 122 19.467 6.891 -10.128 1.00 0.00 C ATOM 946 C LYS A 122 18.287 5.838 -9.831 1.00 0.00 C ATOM 947 O LYS A 122 18.214 4.704 -10.298 1.00 0.00 O ATOM 948 CB LYS A 122 20.104 7.162 -8.651 1.00 0.00 C ATOM 949 CG LYS A 122 21.562 6.998 -8.576 1.00 0.00 C ATOM 950 CD LYS A 122 22.213 7.245 -7.229 1.00 0.00 C ATOM 951 CE LYS A 122 22.987 8.569 -7.254 1.00 0.00 C ATOM 952 NZ LYS A 122 23.709 8.826 -5.995 1.00 0.00 N ATOM 0 H LYS A 122 19.380 8.973 -9.853 1.00 0.00 H new ATOM 0 HA LYS A 122 20.089 6.496 -10.931 1.00 0.00 H new ATOM 0 HB2 LYS A 122 19.849 8.175 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 122 19.638 6.482 -7.938 1.00 0.00 H new ATOM 0 HG2 LYS A 122 21.805 5.983 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 122 22.017 7.673 -9.301 1.00 0.00 H new ATOM 0 HD2 LYS A 122 21.453 7.274 -6.448 1.00 0.00 H new ATOM 0 HD3 LYS A 122 22.888 6.424 -6.986 1.00 0.00 H new ATOM 0 HE2 LYS A 122 23.698 8.555 -8.080 1.00 0.00 H new ATOM 0 HE3 LYS A 122 22.293 9.388 -7.445 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 24.554 9.400 -6.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 23.087 9.338 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.996 7.922 -5.568 1.00 0.00 H new ATOM 953 N TYR A 123 17.422 6.452 -9.059 1.00 0.00 N ATOM 954 CA TYR A 123 16.237 6.098 -8.374 1.00 0.00 C ATOM 955 C TYR A 123 14.991 5.979 -9.274 1.00 0.00 C ATOM 956 O TYR A 123 14.339 4.939 -9.219 1.00 0.00 O ATOM 957 CB TYR A 123 16.271 7.400 -7.460 1.00 0.00 C ATOM 958 CG TYR A 123 17.546 8.131 -6.860 1.00 0.00 C ATOM 959 CD1 TYR A 123 18.194 7.723 -5.707 1.00 0.00 C ATOM 960 CD2 TYR A 123 18.086 9.238 -7.513 1.00 0.00 C ATOM 961 CE1 TYR A 123 19.286 8.432 -5.198 1.00 0.00 C ATOM 962 CE2 TYR A 123 19.202 9.944 -6.999 1.00 0.00 C ATOM 963 CZ TYR A 123 19.793 9.547 -5.833 1.00 0.00 C ATOM 964 OH TYR A 123 20.870 10.214 -5.325 1.00 0.00 O ATOM 0 H TYR A 123 17.601 7.439 -8.872 1.00 0.00 H new ATOM 0 HA TYR A 123 16.187 5.123 -7.889 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.746 8.165 -8.032 1.00 0.00 H new ATOM 0 HB3 TYR A 123 15.647 7.161 -6.599 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.849 6.839 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.640 9.568 -8.440 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.746 8.097 -4.280 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.587 10.801 -7.532 1.00 0.00 H new ATOM 0 HH TYR A 123 21.088 10.973 -5.905 1.00 0.00 H new ATOM 965 N CYS A 124 14.663 7.002 -10.096 1.00 0.00 N ATOM 966 CA CYS A 124 13.435 7.049 -10.923 1.00 0.00 C ATOM 967 C CYS A 124 13.499 8.115 -12.024 1.00 0.00 C ATOM 968 O CYS A 124 12.677 9.022 -12.157 1.00 0.00 O ATOM 969 CB CYS A 124 12.163 7.066 -10.084 1.00 0.00 C ATOM 970 SG CYS A 124 10.617 6.965 -10.960 1.00 0.00 S ATOM 971 OXT CYS A 124 14.571 7.932 -12.866 1.00 0.00 O ATOM 0 H CYS A 124 15.251 7.828 -10.205 1.00 0.00 H new ATOM 0 HA CYS A 124 13.385 6.107 -11.469 1.00 0.00 H new ATOM 0 HB2 CYS A 124 12.209 6.234 -9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 124 12.159 7.982 -9.493 1.00 0.00 H new