USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=32 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 7 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 75 TYR OH : rot 167:sc= -0.129 USER MOD Set 2.1: A 8 MET CE :methyl 170:sc= -7.13! (180deg=-7.04!) USER MOD Set 2.2: A 73 TYR OH : rot 117:sc= -0.247 USER MOD Single : A 1 ALA N :NH3+ -111:sc= -1.57 (180deg=-4.7!) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.03) 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 17 HIS :FLIP no HD1:sc= -0.39 F(o=-1.7!,f=-0.39) USER MOD Single : A 20 MET CE :methyl 132:sc= -0.123 (180deg=-2.56!) USER MOD Single : A 23 ASN : amide:sc= -0.0683 K(o=-0.068,f=-0.95) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 25 TYR OH : rot -112:sc= 0.463 USER MOD Single : A 28 TYR OH : rot 167:sc= -0.138 USER MOD Single : A 34 SER OG : rot 139:sc= 1.13 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -2:sc= 0.0373 USER MOD Single : A 48 HIS : no HE2:sc= -0.697 K(o=-0.7,f=-1.3) USER MOD Single : A 50 ASN : amide:sc= 0.652 K(o=0.65,f=-0.017) USER MOD Single : A 52 TYR OH : rot 60:sc= 0.871 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0835 X(o=0.084,f=-0.29) USER MOD Single : A 60 SER OG : rot 140:sc= 0 USER MOD Single : A 69 TYR OH : rot -11:sc= 0.409 USER MOD Single : A 70 THR OG1 : rot 152:sc= 0.608 USER MOD Single : A 72 SER OG : rot -100:sc= -0.113 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 28:sc= 0.275 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -0.53 K(o=-0.53,f=-1.9!) USER MOD Single : A 86 SER OG : rot -1:sc= 0.146 USER MOD Single : A 87 LYS NZ :NH3+ 158:sc=-0.00403 (180deg=-0.782) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc=-0.00604 K(o=-0.006,f=-1.1) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=-0.0081) USER MOD Single : A 107 SER OG : rot 125:sc= 1.18 USER MOD Single : A 108 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.228) USER MOD Single : A 111 TYR OH : rot -15:sc= 0.564 USER MOD Single : A 112 ASN : amide:sc= -0.0875 X(o=-0.087,f=-0.091) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 HIS : no HE2:sc= -1.42 K(o=-1.4,f=-3.5) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -49:sc= 0.693 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.374 1.495 3.774 1.00 0.00 N ATOM 2 CA ALA A 1 -7.728 2.593 4.505 1.00 0.00 C ATOM 3 C ALA A 1 -6.224 2.452 4.548 1.00 0.00 C ATOM 4 O ALA A 1 -5.672 1.347 4.553 1.00 0.00 O ATOM 5 CB ALA A 1 -8.264 2.837 5.915 1.00 0.00 C ATOM 0 H1 ALA A 1 -8.774 1.858 2.885 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.671 0.758 3.562 1.00 0.00 H new ATOM 0 H3 ALA A 1 -9.135 1.091 4.356 1.00 0.00 H new ATOM 0 HA ALA A 1 -7.992 3.473 3.919 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -7.724 3.666 6.371 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.325 3.080 5.864 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.126 1.939 6.517 1.00 0.00 H new ATOM 6 N LEU A 2 -5.558 3.611 4.601 1.00 0.00 N ATOM 7 CA LEU A 2 -4.112 3.663 4.674 1.00 0.00 C ATOM 8 C LEU A 2 -3.651 3.723 6.125 1.00 0.00 C ATOM 9 O LEU A 2 -3.054 2.742 6.522 1.00 0.00 O ATOM 10 CB LEU A 2 -3.665 4.818 3.806 1.00 0.00 C ATOM 11 CG LEU A 2 -2.128 4.850 3.673 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.627 4.545 2.277 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.673 6.208 4.148 1.00 0.00 C ATOM 0 H LEU A 2 -6.010 4.525 4.594 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.641 2.759 4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.117 4.731 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.016 5.757 4.235 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.701 4.055 4.284 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.538 4.587 2.264 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.956 3.548 1.982 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.026 5.280 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.588 6.276 4.071 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.129 6.981 3.530 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.973 6.350 5.186 1.00 0.00 H new ATOM 14 N TRP A 3 -3.892 4.784 6.923 1.00 0.00 N ATOM 15 CA TRP A 3 -3.491 4.818 8.367 1.00 0.00 C ATOM 16 C TRP A 3 -3.791 3.537 9.196 1.00 0.00 C ATOM 17 O TRP A 3 -2.951 3.124 10.001 1.00 0.00 O ATOM 18 CB TRP A 3 -4.050 6.075 9.085 1.00 0.00 C ATOM 19 CG TRP A 3 -5.599 6.091 9.358 1.00 0.00 C ATOM 20 CD1 TRP A 3 -6.258 5.472 10.452 1.00 0.00 C ATOM 21 CD2 TRP A 3 -6.632 6.420 8.486 1.00 0.00 C ATOM 22 NE1 TRP A 3 -7.648 5.431 10.296 1.00 0.00 N ATOM 23 CE2 TRP A 3 -7.857 5.974 9.056 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.605 6.868 7.146 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.028 5.933 8.258 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.788 6.935 6.428 1.00 0.00 C ATOM 27 CH2 TRP A 3 -8.990 6.462 6.975 1.00 0.00 C ATOM 0 H TRP A 3 -4.360 5.632 6.604 1.00 0.00 H new ATOM 0 HA TRP A 3 -2.403 4.866 8.324 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -3.533 6.182 10.039 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -3.799 6.951 8.486 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -5.742 5.075 11.313 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -8.344 5.079 10.953 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -5.671 7.155 6.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -9.938 5.496 8.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.785 7.357 5.434 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -9.897 6.510 6.391 1.00 0.00 H new ATOM 28 N GLN A 4 -4.969 2.925 8.956 1.00 0.00 N ATOM 29 CA GLN A 4 -5.317 1.635 9.551 1.00 0.00 C ATOM 30 C GLN A 4 -4.566 0.432 8.918 1.00 0.00 C ATOM 31 O GLN A 4 -4.339 -0.520 9.673 1.00 0.00 O ATOM 32 CB GLN A 4 -6.834 1.387 9.584 1.00 0.00 C ATOM 33 CG GLN A 4 -7.532 1.866 10.867 1.00 0.00 C ATOM 34 CD GLN A 4 -9.023 1.531 10.891 1.00 0.00 C ATOM 35 OE1 GLN A 4 -9.432 0.505 11.434 1.00 0.00 O ATOM 36 NE2 GLN A 4 -9.864 2.374 10.312 1.00 0.00 N ATOM 0 H GLN A 4 -5.693 3.312 8.350 1.00 0.00 H new ATOM 0 HA GLN A 4 -4.972 1.705 10.583 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -7.290 1.887 8.730 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.017 0.319 9.463 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.048 1.410 11.730 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -7.405 2.944 10.963 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -9.511 3.221 9.866 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -10.865 2.177 10.312 1.00 0.00 H new ATOM 37 N PHE A 5 -4.184 0.429 7.596 1.00 0.00 N ATOM 38 CA PHE A 5 -3.239 -0.607 7.090 1.00 0.00 C ATOM 39 C PHE A 5 -1.784 -0.330 7.535 1.00 0.00 C ATOM 40 O PHE A 5 -1.048 -1.291 7.710 1.00 0.00 O ATOM 41 CB PHE A 5 -3.504 -1.006 5.632 1.00 0.00 C ATOM 42 CG PHE A 5 -2.488 -0.736 4.521 1.00 0.00 C ATOM 43 CD1 PHE A 5 -2.169 0.559 4.142 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.906 -1.783 3.805 1.00 0.00 C ATOM 45 CE1 PHE A 5 -1.359 0.807 3.036 1.00 0.00 C ATOM 46 CE2 PHE A 5 -1.098 -1.541 2.690 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.840 -0.244 2.296 1.00 0.00 C ATOM 0 H PHE A 5 -4.503 1.101 6.898 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.446 -1.554 7.588 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.695 -2.079 5.629 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.432 -0.516 5.336 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.555 1.390 4.714 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.083 -2.801 4.119 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.134 1.825 2.753 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.676 -2.368 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.240 -0.050 1.420 1.00 0.00 H new ATOM 48 N ARG A 6 -1.409 0.936 7.799 1.00 0.00 N ATOM 49 CA ARG A 6 -0.136 1.334 8.447 1.00 0.00 C ATOM 50 C ARG A 6 0.062 1.032 9.960 1.00 0.00 C ATOM 51 O ARG A 6 0.916 1.589 10.649 1.00 0.00 O ATOM 52 CB ARG A 6 0.150 2.802 8.147 1.00 0.00 C ATOM 53 CG ARG A 6 0.163 3.210 6.676 1.00 0.00 C ATOM 54 CD ARG A 6 0.672 2.222 5.627 1.00 0.00 C ATOM 55 NE ARG A 6 0.922 2.831 4.334 1.00 0.00 N ATOM 56 CZ ARG A 6 1.516 2.292 3.246 1.00 0.00 C ATOM 57 NH1 ARG A 6 2.094 1.113 3.199 1.00 0.00 N ATOM 58 NH2 ARG A 6 1.493 2.974 2.121 1.00 0.00 N ATOM 0 H ARG A 6 -1.997 1.735 7.562 1.00 0.00 H new ATOM 0 HA ARG A 6 0.593 0.664 7.992 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -0.597 3.406 8.661 1.00 0.00 H new ATOM 0 HB3 ARG A 6 1.118 3.056 8.579 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.857 3.480 6.403 1.00 0.00 H new ATOM 0 HG3 ARG A 6 0.766 4.114 6.593 1.00 0.00 H new ATOM 0 HD2 ARG A 6 1.592 1.763 5.988 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.058 1.422 5.508 1.00 0.00 H new ATOM 0 HE ARG A 6 0.607 3.796 4.232 1.00 0.00 H new ATOM 0 HH11 ARG A 6 2.118 0.523 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 6 2.518 0.787 2.330 1.00 0.00 H new ATOM 0 HH21 ARG A 6 1.035 3.885 2.086 1.00 0.00 H new ATOM 0 HH22 ARG A 6 1.933 2.592 1.284 1.00 0.00 H new ATOM 59 N SER A 7 -0.779 0.127 10.422 1.00 0.00 N ATOM 60 CA SER A 7 -0.494 -0.730 11.609 1.00 0.00 C ATOM 61 C SER A 7 0.021 -2.170 11.362 1.00 0.00 C ATOM 62 O SER A 7 0.614 -2.798 12.237 1.00 0.00 O ATOM 63 CB SER A 7 -1.599 -0.609 12.643 1.00 0.00 C ATOM 64 OG SER A 7 -1.583 0.681 13.248 1.00 0.00 O ATOM 0 H SER A 7 -1.689 -0.053 9.999 1.00 0.00 H new ATOM 0 HA SER A 7 0.415 -0.304 12.034 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.566 -0.783 12.171 1.00 0.00 H new ATOM 0 HB3 SER A 7 -1.475 -1.376 13.407 1.00 0.00 H new ATOM 0 HG SER A 7 -2.303 0.741 13.910 1.00 0.00 H new ATOM 65 N MET A 8 -0.226 -2.631 10.168 1.00 0.00 N ATOM 66 CA MET A 8 0.248 -3.896 9.590 1.00 0.00 C ATOM 67 C MET A 8 1.496 -3.727 8.724 1.00 0.00 C ATOM 68 O MET A 8 2.376 -4.568 8.730 1.00 0.00 O ATOM 69 CB MET A 8 -0.884 -4.406 8.711 1.00 0.00 C ATOM 70 CG MET A 8 -2.192 -4.506 9.513 1.00 0.00 C ATOM 71 SD MET A 8 -3.258 -5.439 8.412 1.00 0.00 S ATOM 72 CE MET A 8 -3.817 -4.006 7.574 1.00 0.00 C ATOM 0 H MET A 8 -0.805 -2.108 9.511 1.00 0.00 H new ATOM 0 HA MET A 8 0.517 -4.579 10.396 1.00 0.00 H new ATOM 0 HB2 MET A 8 -1.022 -3.736 7.862 1.00 0.00 H new ATOM 0 HB3 MET A 8 -0.624 -5.384 8.306 1.00 0.00 H new ATOM 0 HG2 MET A 8 -2.046 -5.017 10.465 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.605 -3.523 9.739 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.382 -4.299 6.689 1.00 0.00 H new ATOM 0 HE2 MET A 8 -4.457 -3.423 8.237 1.00 0.00 H new ATOM 0 HE3 MET A 8 -2.960 -3.403 7.274 1.00 0.00 H new ATOM 73 N ILE A 9 1.588 -2.634 7.967 1.00 0.00 N ATOM 74 CA ILE A 9 2.824 -2.218 7.260 1.00 0.00 C ATOM 75 C ILE A 9 4.039 -2.036 8.266 1.00 0.00 C ATOM 76 O ILE A 9 5.196 -2.129 7.874 1.00 0.00 O ATOM 77 CB ILE A 9 2.432 -1.036 6.316 1.00 0.00 C ATOM 78 CG1 ILE A 9 1.212 -1.347 5.416 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.580 -0.535 5.439 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.509 -2.290 4.296 1.00 0.00 C ATOM 0 H ILE A 9 0.805 -1.998 7.818 1.00 0.00 H new ATOM 0 HA ILE A 9 3.238 -2.984 6.604 1.00 0.00 H new ATOM 0 HB ILE A 9 2.163 -0.241 7.012 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.417 -1.769 6.031 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.832 -0.414 5.001 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.228 0.285 4.813 1.00 0.00 H new ATOM 0 HG22 ILE A 9 4.395 -0.185 6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.936 -1.348 4.806 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.604 -2.457 3.712 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.281 -1.863 3.656 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.859 -3.239 4.702 1.00 0.00 H new ATOM 81 N LYS A 10 3.752 -1.756 9.539 1.00 0.00 N ATOM 82 CA LYS A 10 4.659 -1.879 10.692 1.00 0.00 C ATOM 83 C LYS A 10 4.484 -3.120 11.629 1.00 0.00 C ATOM 84 O LYS A 10 5.339 -3.246 12.508 1.00 0.00 O ATOM 85 CB LYS A 10 4.709 -0.497 11.340 1.00 0.00 C ATOM 86 CG LYS A 10 3.414 0.087 11.881 1.00 0.00 C ATOM 87 CD LYS A 10 3.078 -0.556 13.224 1.00 0.00 C ATOM 88 CE LYS A 10 2.226 0.318 14.137 1.00 0.00 C ATOM 89 NZ LYS A 10 1.762 -0.435 15.315 1.00 0.00 N ATOM 0 H LYS A 10 2.829 -1.418 9.813 1.00 0.00 H new ATOM 0 HA LYS A 10 5.655 -2.159 10.348 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.424 -0.539 12.161 1.00 0.00 H new ATOM 0 HB3 LYS A 10 5.109 0.202 10.605 1.00 0.00 H new ATOM 0 HG2 LYS A 10 3.512 1.166 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 10 2.603 -0.084 11.173 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.553 -1.494 13.044 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.006 -0.803 13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.805 1.183 14.460 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.367 0.698 13.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 1.185 0.185 15.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 1.190 -1.247 15.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.583 -0.776 15.855 1.00 0.00 H new ATOM 90 N CYS A 11 3.420 -3.976 11.557 1.00 0.00 N ATOM 91 CA CYS A 11 3.346 -5.266 12.335 1.00 0.00 C ATOM 92 C CYS A 11 3.828 -6.481 11.491 1.00 0.00 C ATOM 93 O CYS A 11 4.659 -7.249 11.979 1.00 0.00 O ATOM 94 CB CYS A 11 1.958 -5.495 12.935 1.00 0.00 C ATOM 95 SG CYS A 11 1.961 -6.913 14.041 1.00 0.00 S ATOM 0 H CYS A 11 2.602 -3.802 10.972 1.00 0.00 H new ATOM 0 HA CYS A 11 4.037 -5.171 13.173 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.642 -4.605 13.479 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.234 -5.654 12.136 1.00 0.00 H new ATOM 96 N ALA A 12 3.328 -6.620 10.238 1.00 0.00 N ATOM 97 CA ALA A 12 3.956 -7.427 9.150 1.00 0.00 C ATOM 98 C ALA A 12 5.503 -7.395 9.053 1.00 0.00 C ATOM 99 O ALA A 12 6.131 -8.416 8.772 1.00 0.00 O ATOM 100 CB ALA A 12 3.290 -7.125 7.788 1.00 0.00 C ATOM 0 H ALA A 12 2.462 -6.168 9.945 1.00 0.00 H new ATOM 0 HA ALA A 12 3.756 -8.458 9.443 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.764 -7.724 7.010 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.229 -7.370 7.839 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.407 -6.067 7.552 1.00 0.00 H new ATOM 101 N ILE A 13 6.089 -6.233 9.338 1.00 0.00 N ATOM 102 CA ILE A 13 7.539 -6.008 9.472 1.00 0.00 C ATOM 103 C ILE A 13 7.665 -5.952 11.023 1.00 0.00 C ATOM 104 O ILE A 13 6.909 -5.193 11.640 1.00 0.00 O ATOM 105 CB ILE A 13 7.753 -4.682 8.658 1.00 0.00 C ATOM 106 CG1 ILE A 13 7.620 -4.999 7.124 1.00 0.00 C ATOM 107 CG2 ILE A 13 8.994 -3.840 8.916 1.00 0.00 C ATOM 108 CD1 ILE A 13 6.286 -4.501 6.586 1.00 0.00 C ATOM 0 H ILE A 13 5.548 -5.382 9.490 1.00 0.00 H new ATOM 0 HA ILE A 13 8.282 -6.712 9.097 1.00 0.00 H new ATOM 0 HB ILE A 13 6.967 -4.030 9.039 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.437 -4.527 6.578 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.706 -6.073 6.961 1.00 0.00 H new ATOM 0 HG21 ILE A 13 8.980 -2.963 8.269 1.00 0.00 H new ATOM 0 HG22 ILE A 13 9.007 -3.521 9.958 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.885 -4.432 8.706 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.214 -4.730 5.523 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.472 -4.993 7.119 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.215 -3.423 6.730 1.00 0.00 H new ATOM 109 N PRO A 14 8.525 -6.726 11.743 1.00 0.00 N ATOM 110 CA PRO A 14 8.797 -6.518 13.250 1.00 0.00 C ATOM 111 C PRO A 14 8.967 -5.015 13.581 1.00 0.00 C ATOM 112 O PRO A 14 8.166 -4.435 14.318 1.00 0.00 O ATOM 113 CB PRO A 14 10.006 -7.436 13.540 1.00 0.00 C ATOM 114 CG PRO A 14 10.016 -8.414 12.339 1.00 0.00 C ATOM 115 CD PRO A 14 9.595 -7.532 11.151 1.00 0.00 C ATOM 0 HA PRO A 14 7.975 -6.796 13.909 1.00 0.00 H new ATOM 0 HB2 PRO A 14 10.934 -6.869 13.603 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.891 -7.964 14.486 1.00 0.00 H new ATOM 0 HG2 PRO A 14 11.003 -8.850 12.185 1.00 0.00 H new ATOM 0 HG3 PRO A 14 9.322 -9.241 12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.417 -6.916 10.787 1.00 0.00 H new ATOM 0 HD3 PRO A 14 9.242 -8.124 10.307 1.00 0.00 H new ATOM 116 N GLY A 15 9.906 -4.381 12.857 1.00 0.00 N ATOM 117 CA GLY A 15 9.505 -3.199 12.075 1.00 0.00 C ATOM 118 C GLY A 15 9.469 -1.826 12.705 1.00 0.00 C ATOM 119 O GLY A 15 9.708 -1.670 13.907 1.00 0.00 O ATOM 0 H GLY A 15 10.889 -4.645 12.796 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.176 -3.140 11.218 1.00 0.00 H new ATOM 0 HA3 GLY A 15 8.507 -3.398 11.685 1.00 0.00 H new ATOM 120 N SER A 16 9.226 -0.809 11.839 1.00 0.00 N ATOM 121 CA SER A 16 9.403 0.620 12.279 1.00 0.00 C ATOM 122 C SER A 16 8.441 1.582 11.553 1.00 0.00 C ATOM 123 O SER A 16 7.244 1.524 11.847 1.00 0.00 O ATOM 124 CB SER A 16 10.912 0.990 12.248 1.00 0.00 C ATOM 125 OG SER A 16 11.143 2.266 12.837 1.00 0.00 O ATOM 0 H SER A 16 8.921 -0.929 10.873 1.00 0.00 H new ATOM 0 HA SER A 16 9.098 0.736 13.319 1.00 0.00 H new ATOM 0 HB2 SER A 16 11.486 0.232 12.781 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.267 0.993 11.217 1.00 0.00 H new ATOM 0 HG SER A 16 12.101 2.472 12.805 1.00 0.00 H new ATOM 126 N HIS A 17 8.916 2.466 10.636 1.00 0.00 N ATOM 127 CA HIS A 17 8.029 3.315 9.788 1.00 0.00 C ATOM 128 C HIS A 17 7.303 2.350 8.801 1.00 0.00 C ATOM 129 O HIS A 17 8.005 1.650 8.061 1.00 0.00 O ATOM 130 CB HIS A 17 8.647 4.529 8.997 1.00 0.00 C ATOM 131 CG HIS A 17 10.131 4.499 8.766 1.00 0.00 C ATOM 132 ND1 HIS A 17 10.646 3.516 7.950 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 11.128 5.226 9.403 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 12.013 3.537 7.982 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 12.208 4.575 8.855 1.00 0.00 N flip ATOM 0 H HIS A 17 9.911 2.611 10.463 1.00 0.00 H new ATOM 0 HA HIS A 17 7.380 3.834 10.493 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.153 4.590 8.027 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.405 5.445 9.536 1.00 0.00 H new ATOM 0 HD2 HIS A 17 11.073 6.044 10.106 1.00 0.00 H new ATOM 0 HE1 HIS A 17 12.731 2.915 7.468 1.00 0.00 H new ATOM 0 HE2 HIS A 17 13.155 4.865 9.099 1.00 0.00 H new ATOM 136 N PRO A 18 5.951 2.244 8.752 1.00 0.00 N ATOM 137 CA PRO A 18 5.254 1.428 7.715 1.00 0.00 C ATOM 138 C PRO A 18 5.636 1.879 6.297 1.00 0.00 C ATOM 139 O PRO A 18 6.223 1.085 5.562 1.00 0.00 O ATOM 140 CB PRO A 18 3.755 1.567 8.015 1.00 0.00 C ATOM 141 CG PRO A 18 3.635 2.736 9.005 1.00 0.00 C ATOM 142 CD PRO A 18 5.018 2.986 9.610 1.00 0.00 C ATOM 0 HA PRO A 18 5.548 0.379 7.752 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.190 1.766 7.104 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.355 0.648 8.444 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.274 3.630 8.497 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.914 2.500 9.787 1.00 0.00 H new ATOM 0 HD2 PRO A 18 5.256 4.050 9.624 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.067 2.635 10.641 1.00 0.00 H new ATOM 143 N LEU A 19 5.407 3.163 5.978 1.00 0.00 N ATOM 144 CA LEU A 19 5.926 3.801 4.772 1.00 0.00 C ATOM 145 C LEU A 19 7.435 3.996 4.836 1.00 0.00 C ATOM 146 O LEU A 19 8.114 3.001 5.043 1.00 0.00 O ATOM 147 CB LEU A 19 5.031 5.045 4.539 1.00 0.00 C ATOM 148 CG LEU A 19 3.918 4.743 3.566 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.882 5.873 3.704 1.00 0.00 C ATOM 150 CD2 LEU A 19 4.417 4.807 2.127 1.00 0.00 C ATOM 0 H LEU A 19 4.850 3.788 6.560 1.00 0.00 H new ATOM 0 HA LEU A 19 5.854 3.185 3.876 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.608 5.375 5.488 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.638 5.866 4.158 1.00 0.00 H new ATOM 0 HG LEU A 19 3.520 3.751 3.779 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.056 5.695 3.016 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.504 5.897 4.726 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.352 6.828 3.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.595 4.585 1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.801 5.806 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 19 5.213 4.076 1.985 1.00 0.00 H new ATOM 151 N MET A 20 7.799 5.265 4.766 1.00 0.00 N ATOM 152 CA MET A 20 9.081 5.999 4.643 1.00 0.00 C ATOM 153 C MET A 20 10.444 5.322 4.435 1.00 0.00 C ATOM 154 O MET A 20 11.345 5.856 3.784 1.00 0.00 O ATOM 155 CB MET A 20 8.920 6.903 5.886 1.00 0.00 C ATOM 156 CG MET A 20 7.788 7.956 5.802 1.00 0.00 C ATOM 157 SD MET A 20 7.149 8.233 7.471 1.00 0.00 S ATOM 158 CE MET A 20 6.160 6.720 7.684 1.00 0.00 C ATOM 0 H MET A 20 7.050 5.957 4.801 1.00 0.00 H new ATOM 0 HA MET A 20 9.188 6.458 3.660 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.739 6.269 6.754 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.863 7.422 6.061 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.166 8.887 5.380 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.993 7.607 5.143 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.390 6.268 8.649 1.00 0.00 H new ATOM 0 HE2 MET A 20 5.100 6.970 7.643 1.00 0.00 H new ATOM 0 HE3 MET A 20 6.397 6.015 6.887 1.00 0.00 H new ATOM 159 N ASP A 21 10.454 4.073 4.859 1.00 0.00 N ATOM 160 CA ASP A 21 11.017 2.957 4.038 1.00 0.00 C ATOM 161 C ASP A 21 10.246 2.649 2.696 1.00 0.00 C ATOM 162 O ASP A 21 10.594 1.665 2.045 1.00 0.00 O ATOM 163 CB ASP A 21 11.196 1.706 4.930 1.00 0.00 C ATOM 164 CG ASP A 21 11.994 0.542 4.337 1.00 0.00 C ATOM 165 OD1 ASP A 21 13.332 0.825 4.233 1.00 0.00 O ATOM 166 OD2 ASP A 21 11.480 -0.519 3.985 1.00 0.00 O ATOM 0 H ASP A 21 10.085 3.780 5.764 1.00 0.00 H new ATOM 0 HA ASP A 21 11.991 3.292 3.680 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.683 2.015 5.855 1.00 0.00 H new ATOM 0 HB3 ASP A 21 10.206 1.337 5.199 1.00 0.00 H new ATOM 167 N PHE A 22 9.237 3.431 2.262 1.00 0.00 N ATOM 168 CA PHE A 22 8.466 3.143 1.043 1.00 0.00 C ATOM 169 C PHE A 22 8.071 4.462 0.321 1.00 0.00 C ATOM 170 O PHE A 22 8.220 4.475 -0.898 1.00 0.00 O ATOM 171 CB PHE A 22 7.246 2.301 1.409 1.00 0.00 C ATOM 172 CG PHE A 22 7.498 0.833 1.765 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.834 0.429 3.080 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.243 -0.151 0.809 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.696 -0.900 3.453 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.273 -1.494 1.150 1.00 0.00 C ATOM 177 CZ PHE A 22 7.467 -1.856 2.474 1.00 0.00 C ATOM 0 H PHE A 22 8.937 4.277 2.747 1.00 0.00 H new ATOM 0 HA PHE A 22 9.078 2.573 0.344 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.749 2.775 2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.549 2.332 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 22 8.197 1.155 3.792 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.020 0.137 -0.208 1.00 0.00 H new ATOM 0 HE1 PHE A 22 7.766 -1.187 4.492 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.146 -2.252 0.391 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.439 -2.900 2.748 1.00 0.00 H new ATOM 178 N ASN A 23 7.621 5.543 1.018 1.00 0.00 N ATOM 179 CA ASN A 23 7.350 6.897 0.391 1.00 0.00 C ATOM 180 C ASN A 23 8.366 7.382 -0.705 1.00 0.00 C ATOM 181 O ASN A 23 7.991 7.856 -1.778 1.00 0.00 O ATOM 182 CB ASN A 23 7.310 7.905 1.586 1.00 0.00 C ATOM 183 CG ASN A 23 7.146 9.402 1.302 1.00 0.00 C ATOM 184 OD1 ASN A 23 6.850 9.852 0.196 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.361 10.225 2.314 1.00 0.00 N ATOM 0 H ASN A 23 7.433 5.516 2.020 1.00 0.00 H new ATOM 0 HA ASN A 23 6.417 6.827 -0.169 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.492 7.605 2.240 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.233 7.779 2.152 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.281 11.233 2.178 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.606 9.852 3.231 1.00 0.00 H new ATOM 186 N ASN A 24 9.625 7.243 -0.315 1.00 0.00 N ATOM 187 CA ASN A 24 10.815 7.613 -1.098 1.00 0.00 C ATOM 188 C ASN A 24 11.348 6.457 -2.003 1.00 0.00 C ATOM 189 O ASN A 24 11.614 6.720 -3.177 1.00 0.00 O ATOM 190 CB ASN A 24 11.932 8.076 -0.123 1.00 0.00 C ATOM 191 CG ASN A 24 11.768 9.467 0.497 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.721 10.113 0.430 1.00 0.00 O ATOM 193 ND2 ASN A 24 12.815 9.955 1.139 1.00 0.00 N ATOM 0 H ASN A 24 9.865 6.852 0.596 1.00 0.00 H new ATOM 0 HA ASN A 24 10.523 8.418 -1.772 1.00 0.00 H new ATOM 0 HB2 ASN A 24 12.001 7.349 0.686 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.882 8.051 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 24 12.759 10.872 1.583 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.679 9.415 1.191 1.00 0.00 H new ATOM 194 N TYR A 25 11.493 5.243 -1.430 1.00 0.00 N ATOM 195 CA TYR A 25 11.978 3.979 -2.071 1.00 0.00 C ATOM 196 C TYR A 25 11.654 3.851 -3.574 1.00 0.00 C ATOM 197 O TYR A 25 10.487 3.709 -3.942 1.00 0.00 O ATOM 198 CB TYR A 25 11.300 2.861 -1.236 1.00 0.00 C ATOM 199 CG TYR A 25 11.935 1.481 -1.151 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.676 0.511 -2.124 1.00 0.00 C ATOM 201 CD2 TYR A 25 12.589 1.089 0.029 1.00 0.00 C ATOM 202 CE1 TYR A 25 12.056 -0.813 -1.918 1.00 0.00 C ATOM 203 CE2 TYR A 25 12.953 -0.233 0.244 1.00 0.00 C ATOM 204 CZ TYR A 25 12.673 -1.187 -0.722 1.00 0.00 C ATOM 205 OH TYR A 25 12.931 -2.494 -0.455 1.00 0.00 O ATOM 0 H TYR A 25 11.263 5.099 -0.447 1.00 0.00 H new ATOM 0 HA TYR A 25 13.067 3.934 -2.062 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.199 3.234 -0.217 1.00 0.00 H new ATOM 0 HB3 TYR A 25 10.292 2.730 -1.629 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.178 0.790 -3.041 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.813 1.830 0.782 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.873 -1.552 -2.684 1.00 0.00 H new ATOM 0 HE2 TYR A 25 13.452 -0.517 1.159 1.00 0.00 H new ATOM 0 HH TYR A 25 12.367 -2.794 0.288 1.00 0.00 H new ATOM 206 N GLY A 26 12.685 4.018 -4.411 1.00 0.00 N ATOM 207 CA GLY A 26 12.532 4.127 -5.867 1.00 0.00 C ATOM 208 C GLY A 26 11.888 5.417 -6.372 1.00 0.00 C ATOM 209 O GLY A 26 12.506 6.466 -6.543 1.00 0.00 O ATOM 0 H GLY A 26 13.653 4.082 -4.096 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.516 4.031 -6.325 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.935 3.284 -6.215 1.00 0.00 H new ATOM 210 N CYS A 27 10.603 5.211 -6.595 1.00 0.00 N ATOM 211 CA CYS A 27 9.657 6.218 -7.112 1.00 0.00 C ATOM 212 C CYS A 27 8.502 6.667 -6.181 1.00 0.00 C ATOM 213 O CYS A 27 7.993 7.778 -6.363 1.00 0.00 O ATOM 214 CB CYS A 27 9.041 5.791 -8.468 1.00 0.00 C ATOM 215 SG CYS A 27 10.241 4.970 -9.519 1.00 0.00 S ATOM 0 H CYS A 27 10.160 4.309 -6.419 1.00 0.00 H new ATOM 0 HA CYS A 27 10.308 7.086 -7.211 1.00 0.00 H new ATOM 0 HB2 CYS A 27 8.198 5.124 -8.290 1.00 0.00 H new ATOM 0 HB3 CYS A 27 8.649 6.669 -8.981 1.00 0.00 H new ATOM 216 N TYR A 28 8.047 5.809 -5.256 1.00 0.00 N ATOM 217 CA TYR A 28 6.787 6.040 -4.514 1.00 0.00 C ATOM 218 C TYR A 28 6.468 5.108 -3.300 1.00 0.00 C ATOM 219 O TYR A 28 5.812 5.571 -2.369 1.00 0.00 O ATOM 220 CB TYR A 28 5.500 5.986 -5.406 1.00 0.00 C ATOM 221 CG TYR A 28 5.429 5.169 -6.701 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.591 3.767 -6.792 1.00 0.00 C ATOM 223 CD2 TYR A 28 5.040 5.863 -7.844 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.307 3.102 -7.986 1.00 0.00 C ATOM 225 CE2 TYR A 28 4.790 5.201 -9.037 1.00 0.00 C ATOM 226 CZ TYR A 28 4.893 3.820 -9.101 1.00 0.00 C ATOM 227 OH TYR A 28 4.523 3.177 -10.234 1.00 0.00 O ATOM 0 H TYR A 28 8.529 4.947 -5.000 1.00 0.00 H new ATOM 0 HA TYR A 28 7.009 7.040 -4.140 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.693 5.628 -4.767 1.00 0.00 H new ATOM 0 HB3 TYR A 28 5.263 7.016 -5.673 1.00 0.00 H new ATOM 0 HD1 TYR A 28 5.936 3.209 -5.934 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.931 6.937 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 28 5.409 2.028 -8.043 1.00 0.00 H new ATOM 0 HE2 TYR A 28 4.515 5.762 -9.918 1.00 0.00 H new ATOM 0 HH TYR A 28 4.070 3.806 -10.834 1.00 0.00 H new ATOM 228 N CYS A 29 6.829 3.838 -3.468 1.00 0.00 N ATOM 229 CA CYS A 29 6.342 2.624 -2.796 1.00 0.00 C ATOM 230 C CYS A 29 5.128 2.540 -1.847 1.00 0.00 C ATOM 231 O CYS A 29 5.040 1.624 -1.023 1.00 0.00 O ATOM 232 CB CYS A 29 7.537 1.724 -2.433 1.00 0.00 C ATOM 233 SG CYS A 29 7.250 0.073 -3.114 1.00 0.00 S ATOM 0 H CYS A 29 7.548 3.603 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 29 5.696 2.248 -3.589 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.460 2.142 -2.834 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.655 1.671 -1.351 1.00 0.00 H new ATOM 234 N GLY A 30 4.124 3.397 -2.036 1.00 0.00 N ATOM 235 CA GLY A 30 3.038 3.554 -1.067 1.00 0.00 C ATOM 236 C GLY A 30 2.547 4.996 -0.978 1.00 0.00 C ATOM 237 O GLY A 30 1.366 5.212 -1.270 1.00 0.00 O ATOM 0 H GLY A 30 4.040 3.997 -2.857 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.207 2.906 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.380 3.227 -0.085 1.00 0.00 H new ATOM 238 N LEU A 31 3.388 5.980 -0.557 1.00 0.00 N ATOM 239 CA LEU A 31 2.931 7.373 -0.387 1.00 0.00 C ATOM 240 C LEU A 31 3.144 8.187 -1.625 1.00 0.00 C ATOM 241 O LEU A 31 2.200 8.689 -2.243 1.00 0.00 O ATOM 242 CB LEU A 31 3.199 7.959 1.010 1.00 0.00 C ATOM 243 CG LEU A 31 3.533 9.440 1.205 1.00 0.00 C ATOM 244 CD1 LEU A 31 2.471 10.455 0.787 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.893 9.698 2.690 1.00 0.00 C ATOM 0 H LEU A 31 4.372 5.830 -0.334 1.00 0.00 H new ATOM 0 HA LEU A 31 1.843 7.406 -0.328 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.317 7.751 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.023 7.389 1.440 1.00 0.00 H new ATOM 0 HG LEU A 31 4.367 9.607 0.523 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.836 11.464 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 31 2.258 10.342 -0.276 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.559 10.284 1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.131 10.753 2.829 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.046 9.431 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.756 9.092 2.966 1.00 0.00 H new ATOM 246 N GLY A 32 4.442 8.330 -1.867 1.00 0.00 N ATOM 247 CA GLY A 32 4.920 9.522 -2.568 1.00 0.00 C ATOM 248 C GLY A 32 4.428 9.802 -4.008 1.00 0.00 C ATOM 249 O GLY A 32 3.255 10.161 -4.153 1.00 0.00 O ATOM 0 H GLY A 32 5.164 7.661 -1.600 1.00 0.00 H new ATOM 0 HA2 GLY A 32 4.659 10.387 -1.959 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.008 9.470 -2.598 1.00 0.00 H new ATOM 250 N GLY A 33 5.260 9.695 -5.074 1.00 0.00 N ATOM 251 CA GLY A 33 4.747 9.862 -6.450 1.00 0.00 C ATOM 252 C GLY A 33 5.719 10.188 -7.601 1.00 0.00 C ATOM 253 O GLY A 33 6.581 11.061 -7.474 1.00 0.00 O ATOM 0 H GLY A 33 6.259 9.500 -5.009 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.227 8.942 -6.716 1.00 0.00 H new ATOM 0 HA3 GLY A 33 3.999 10.654 -6.423 1.00 0.00 H new ATOM 254 N SER A 34 5.471 9.536 -8.755 1.00 0.00 N ATOM 255 CA SER A 34 6.100 9.838 -10.057 1.00 0.00 C ATOM 256 C SER A 34 5.198 9.295 -11.205 1.00 0.00 C ATOM 257 O SER A 34 4.513 10.098 -11.847 1.00 0.00 O ATOM 258 CB SER A 34 7.556 9.382 -10.151 1.00 0.00 C ATOM 259 OG SER A 34 8.110 9.762 -11.407 1.00 0.00 O ATOM 0 H SER A 34 4.808 8.762 -8.808 1.00 0.00 H new ATOM 0 HA SER A 34 6.167 10.921 -10.162 1.00 0.00 H new ATOM 0 HB2 SER A 34 8.136 9.824 -9.341 1.00 0.00 H new ATOM 0 HB3 SER A 34 7.614 8.300 -10.032 1.00 0.00 H new ATOM 0 HG SER A 34 9.026 10.084 -11.276 1.00 0.00 H new ATOM 260 N GLY A 35 5.210 7.979 -11.468 1.00 0.00 N ATOM 261 CA GLY A 35 4.474 7.404 -12.607 1.00 0.00 C ATOM 262 C GLY A 35 4.574 5.873 -12.665 1.00 0.00 C ATOM 263 O GLY A 35 3.564 5.190 -12.476 1.00 0.00 O ATOM 0 H GLY A 35 5.719 7.294 -10.910 1.00 0.00 H new ATOM 0 HA2 GLY A 35 3.425 7.693 -12.540 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.862 7.825 -13.535 1.00 0.00 H new ATOM 264 N THR A 36 5.788 5.361 -12.935 1.00 0.00 N ATOM 265 CA THR A 36 6.092 3.907 -12.938 1.00 0.00 C ATOM 266 C THR A 36 7.280 3.603 -11.931 1.00 0.00 C ATOM 267 O THR A 36 7.971 4.534 -11.506 1.00 0.00 O ATOM 268 CB THR A 36 6.267 3.288 -14.366 1.00 0.00 C ATOM 269 OG1 THR A 36 6.269 4.249 -15.426 1.00 0.00 O ATOM 270 CG2 THR A 36 5.149 2.264 -14.650 1.00 0.00 C ATOM 0 H THR A 36 6.595 5.943 -13.159 1.00 0.00 H new ATOM 0 HA THR A 36 5.212 3.381 -12.569 1.00 0.00 H new ATOM 0 HB THR A 36 7.249 2.814 -14.350 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.384 3.789 -16.284 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.285 1.843 -15.646 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.191 1.465 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.180 2.759 -14.595 1.00 0.00 H new ATOM 271 N PRO A 37 7.525 2.341 -11.490 1.00 0.00 N ATOM 272 CA PRO A 37 8.437 2.019 -10.343 1.00 0.00 C ATOM 273 C PRO A 37 9.911 1.745 -10.723 1.00 0.00 C ATOM 274 O PRO A 37 10.386 2.161 -11.785 1.00 0.00 O ATOM 275 CB PRO A 37 7.703 0.725 -9.861 1.00 0.00 C ATOM 276 CG PRO A 37 7.375 -0.009 -11.160 1.00 0.00 C ATOM 277 CD PRO A 37 6.838 1.137 -12.002 1.00 0.00 C ATOM 0 HA PRO A 37 8.564 2.828 -9.624 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.337 0.123 -9.210 1.00 0.00 H new ATOM 0 HB3 PRO A 37 6.801 0.963 -9.296 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.254 -0.474 -11.606 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.637 -0.797 -11.015 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.049 0.982 -13.060 1.00 0.00 H new ATOM 0 HD3 PRO A 37 5.756 1.227 -11.902 1.00 0.00 H new ATOM 278 N VAL A 38 10.601 1.006 -9.835 1.00 0.00 N ATOM 279 CA VAL A 38 11.970 0.511 -10.045 1.00 0.00 C ATOM 280 C VAL A 38 12.068 -1.054 -9.805 1.00 0.00 C ATOM 281 O VAL A 38 12.461 -1.823 -10.683 1.00 0.00 O ATOM 282 CB VAL A 38 13.015 1.318 -9.200 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.780 2.839 -9.103 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.170 0.940 -7.704 1.00 0.00 C ATOM 0 H VAL A 38 10.212 0.732 -8.933 1.00 0.00 H new ATOM 0 HA VAL A 38 12.224 0.681 -11.091 1.00 0.00 H new ATOM 0 HB VAL A 38 13.887 1.042 -9.793 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.564 3.290 -8.495 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.800 3.275 -10.102 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.810 3.029 -8.643 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.925 1.578 -7.244 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.217 1.079 -7.193 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.477 -0.103 -7.622 1.00 0.00 H new ATOM 285 N ASP A 39 11.703 -1.411 -8.574 1.00 0.00 N ATOM 286 CA ASP A 39 11.832 -2.765 -7.972 1.00 0.00 C ATOM 287 C ASP A 39 10.676 -3.684 -8.342 1.00 0.00 C ATOM 288 O ASP A 39 9.615 -3.202 -8.749 1.00 0.00 O ATOM 289 CB ASP A 39 12.014 -2.551 -6.444 1.00 0.00 C ATOM 290 CG ASP A 39 12.688 -3.664 -5.639 1.00 0.00 C ATOM 291 OD1 ASP A 39 13.036 -4.755 -6.089 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.875 -3.288 -4.336 1.00 0.00 O ATOM 0 H ASP A 39 11.287 -0.741 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 39 12.698 -3.293 -8.371 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.592 -1.638 -6.301 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.029 -2.375 -6.012 1.00 0.00 H new ATOM 293 N GLU A 40 10.844 -5.027 -8.137 1.00 0.00 N ATOM 294 CA GLU A 40 9.660 -5.895 -7.945 1.00 0.00 C ATOM 295 C GLU A 40 8.723 -5.330 -6.823 1.00 0.00 C ATOM 296 O GLU A 40 7.505 -5.273 -6.985 1.00 0.00 O ATOM 297 CB GLU A 40 9.869 -7.365 -7.493 1.00 0.00 C ATOM 298 CG GLU A 40 8.738 -8.231 -8.067 1.00 0.00 C ATOM 299 CD GLU A 40 9.032 -8.858 -9.413 1.00 0.00 C ATOM 300 OE1 GLU A 40 9.630 -9.926 -9.546 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.557 -8.101 -10.454 1.00 0.00 O ATOM 0 H GLU A 40 11.745 -5.504 -8.103 1.00 0.00 H new ATOM 0 HA GLU A 40 9.270 -5.895 -8.963 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.836 -7.731 -7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.875 -7.427 -6.405 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.512 -9.025 -7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.841 -7.618 -8.157 1.00 0.00 H new ATOM 302 N LEU A 41 9.356 -4.925 -5.708 1.00 0.00 N ATOM 303 CA LEU A 41 8.681 -4.269 -4.612 1.00 0.00 C ATOM 304 C LEU A 41 7.907 -2.993 -4.933 1.00 0.00 C ATOM 305 O LEU A 41 6.760 -2.844 -4.502 1.00 0.00 O ATOM 306 CB LEU A 41 9.710 -4.271 -3.485 1.00 0.00 C ATOM 307 CG LEU A 41 9.236 -4.219 -2.045 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.649 -2.986 -1.287 1.00 0.00 C ATOM 309 CD2 LEU A 41 7.805 -4.654 -1.889 1.00 0.00 C ATOM 0 H LEU A 41 10.357 -5.052 -5.557 1.00 0.00 H new ATOM 0 HA LEU A 41 7.789 -4.804 -4.288 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.317 -5.169 -3.598 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.370 -3.418 -3.643 1.00 0.00 H new ATOM 0 HG LEU A 41 9.801 -4.986 -1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.264 -3.039 -0.269 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.737 -2.922 -1.261 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.245 -2.103 -1.782 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.520 -4.597 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.160 -4.000 -2.476 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.697 -5.681 -2.239 1.00 0.00 H new ATOM 310 N ASP A 42 8.491 -2.129 -5.770 1.00 0.00 N ATOM 311 CA ASP A 42 7.777 -0.998 -6.371 1.00 0.00 C ATOM 312 C ASP A 42 6.703 -1.355 -7.447 1.00 0.00 C ATOM 313 O ASP A 42 5.848 -0.506 -7.679 1.00 0.00 O ATOM 314 CB ASP A 42 8.755 0.089 -6.819 1.00 0.00 C ATOM 315 CG ASP A 42 9.477 0.854 -5.727 1.00 0.00 C ATOM 316 OD1 ASP A 42 10.628 0.234 -5.322 1.00 0.00 O ATOM 317 OD2 ASP A 42 9.061 1.923 -5.291 1.00 0.00 O ATOM 0 H ASP A 42 9.470 -2.194 -6.049 1.00 0.00 H new ATOM 0 HA ASP A 42 7.161 -0.592 -5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.504 -0.373 -7.462 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.208 0.806 -7.431 1.00 0.00 H new ATOM 318 N ARG A 43 6.681 -2.551 -8.057 1.00 0.00 N ATOM 319 CA ARG A 43 5.574 -2.983 -8.952 1.00 0.00 C ATOM 320 C ARG A 43 4.223 -3.240 -8.177 1.00 0.00 C ATOM 321 O ARG A 43 3.181 -2.778 -8.636 1.00 0.00 O ATOM 322 CB ARG A 43 5.841 -4.375 -9.584 1.00 0.00 C ATOM 323 CG ARG A 43 7.101 -4.603 -10.367 1.00 0.00 C ATOM 324 CD ARG A 43 7.496 -3.595 -11.411 1.00 0.00 C ATOM 325 NE ARG A 43 6.350 -3.137 -12.205 1.00 0.00 N ATOM 326 CZ ARG A 43 6.442 -2.529 -13.402 1.00 0.00 C ATOM 327 NH1 ARG A 43 7.592 -2.267 -14.021 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.325 -2.165 -13.999 1.00 0.00 N ATOM 0 H ARG A 43 7.419 -3.247 -7.951 1.00 0.00 H new ATOM 0 HA ARG A 43 5.510 -2.170 -9.676 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.820 -5.109 -8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.002 -4.601 -10.242 1.00 0.00 H new ATOM 0 HG2 ARG A 43 7.923 -4.681 -9.655 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.013 -5.571 -10.859 1.00 0.00 H new ATOM 0 HD2 ARG A 43 7.965 -2.739 -10.927 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.242 -4.035 -12.073 1.00 0.00 H new ATOM 0 HE ARG A 43 5.417 -3.290 -11.822 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.476 -2.531 -13.587 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.588 -1.802 -14.929 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.426 -2.346 -13.553 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.360 -1.702 -14.907 1.00 0.00 H new ATOM 329 N CYS A 44 4.259 -4.006 -7.055 1.00 0.00 N ATOM 330 CA CYS A 44 3.106 -4.153 -6.134 1.00 0.00 C ATOM 331 C CYS A 44 2.758 -2.848 -5.341 1.00 0.00 C ATOM 332 O CYS A 44 1.726 -2.834 -4.678 1.00 0.00 O ATOM 333 CB CYS A 44 3.423 -5.355 -5.226 1.00 0.00 C ATOM 334 SG CYS A 44 1.982 -5.965 -4.337 1.00 0.00 S ATOM 0 H CYS A 44 5.083 -4.534 -6.767 1.00 0.00 H new ATOM 0 HA CYS A 44 2.194 -4.334 -6.703 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.837 -6.161 -5.831 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.191 -5.068 -4.508 1.00 0.00 H new ATOM 335 N CYS A 45 3.597 -1.791 -5.431 1.00 0.00 N ATOM 336 CA CYS A 45 3.249 -0.410 -5.104 1.00 0.00 C ATOM 337 C CYS A 45 2.643 0.360 -6.326 1.00 0.00 C ATOM 338 O CYS A 45 1.729 1.147 -6.072 1.00 0.00 O ATOM 339 CB CYS A 45 4.493 0.361 -4.655 1.00 0.00 C ATOM 340 SG CYS A 45 5.292 -0.368 -3.215 1.00 0.00 S ATOM 0 H CYS A 45 4.563 -1.890 -5.744 1.00 0.00 H new ATOM 0 HA CYS A 45 2.506 -0.466 -4.309 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.206 0.400 -5.478 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.213 1.389 -4.427 1.00 0.00 H new ATOM 341 N GLU A 46 3.102 0.182 -7.607 1.00 0.00 N ATOM 342 CA GLU A 46 2.401 0.753 -8.795 1.00 0.00 C ATOM 343 C GLU A 46 0.939 0.254 -8.868 1.00 0.00 C ATOM 344 O GLU A 46 0.040 1.070 -9.031 1.00 0.00 O ATOM 345 CB GLU A 46 3.231 0.365 -10.050 1.00 0.00 C ATOM 346 CG GLU A 46 2.695 0.853 -11.407 1.00 0.00 C ATOM 347 CD GLU A 46 1.924 -0.218 -12.177 1.00 0.00 C ATOM 348 OE1 GLU A 46 2.474 -1.115 -12.814 1.00 0.00 O ATOM 349 OE2 GLU A 46 0.567 -0.070 -12.070 1.00 0.00 O ATOM 0 H GLU A 46 3.944 -0.346 -7.836 1.00 0.00 H new ATOM 0 HA GLU A 46 2.335 1.839 -8.728 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.242 0.753 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.308 -0.722 -10.085 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.044 1.712 -11.244 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.531 1.197 -12.017 1.00 0.00 H new ATOM 350 N THR A 47 0.753 -1.058 -8.705 1.00 0.00 N ATOM 351 CA THR A 47 -0.555 -1.722 -8.645 1.00 0.00 C ATOM 352 C THR A 47 -1.178 -1.864 -7.232 1.00 0.00 C ATOM 353 O THR A 47 -2.347 -2.254 -7.179 1.00 0.00 O ATOM 354 CB THR A 47 -0.305 -3.102 -9.314 1.00 0.00 C ATOM 355 OG1 THR A 47 0.077 -2.939 -10.682 1.00 0.00 O ATOM 356 CG2 THR A 47 -1.476 -4.069 -9.294 1.00 0.00 C ATOM 0 H THR A 47 1.532 -1.709 -8.608 1.00 0.00 H new ATOM 0 HA THR A 47 -1.304 -1.114 -9.152 1.00 0.00 H new ATOM 0 HB THR A 47 0.486 -3.537 -8.703 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.059 -1.987 -10.916 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.189 -4.998 -9.787 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.758 -4.278 -8.262 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.323 -3.626 -9.818 1.00 0.00 H new ATOM 357 N HIS A 48 -0.517 -1.493 -6.104 1.00 0.00 N ATOM 358 CA HIS A 48 -1.262 -1.124 -4.859 1.00 0.00 C ATOM 359 C HIS A 48 -2.151 0.080 -5.292 1.00 0.00 C ATOM 360 O HIS A 48 -3.310 -0.210 -5.513 1.00 0.00 O ATOM 361 CB HIS A 48 -0.485 -0.856 -3.549 1.00 0.00 C ATOM 362 CG HIS A 48 -1.480 -0.645 -2.349 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.466 0.470 -1.496 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.572 -1.480 -2.009 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.545 0.167 -0.725 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.334 -0.882 -1.044 1.00 0.00 N ATOM 0 H HIS A 48 0.499 -1.440 -6.025 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.805 -2.009 -4.527 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.179 -1.694 -3.335 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.144 0.027 -3.667 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -0.834 1.270 -1.464 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.773 -2.446 -2.447 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.771 0.767 0.144 1.00 0.00 H new ATOM 367 N ASP A 49 -1.576 1.273 -5.527 1.00 0.00 N ATOM 368 CA ASP A 49 -2.202 2.412 -6.243 1.00 0.00 C ATOM 369 C ASP A 49 -3.138 2.133 -7.460 1.00 0.00 C ATOM 370 O ASP A 49 -4.177 2.789 -7.533 1.00 0.00 O ATOM 371 CB ASP A 49 -1.135 3.421 -6.737 1.00 0.00 C ATOM 372 CG ASP A 49 -0.081 3.910 -5.752 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.328 4.225 -4.587 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.167 3.962 -6.319 1.00 0.00 O ATOM 0 H ASP A 49 -0.628 1.484 -5.214 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.855 2.789 -5.456 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.614 2.966 -7.580 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.660 4.296 -7.121 1.00 0.00 H new ATOM 375 N ASN A 50 -2.783 1.219 -8.398 1.00 0.00 N ATOM 376 CA ASN A 50 -3.678 0.854 -9.538 1.00 0.00 C ATOM 377 C ASN A 50 -4.904 -0.030 -9.165 1.00 0.00 C ATOM 378 O ASN A 50 -5.942 0.084 -9.822 1.00 0.00 O ATOM 379 CB ASN A 50 -3.031 0.423 -10.873 1.00 0.00 C ATOM 380 CG ASN A 50 -2.440 1.542 -11.742 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.900 1.786 -12.856 1.00 0.00 O ATOM 382 ND2 ASN A 50 -1.400 2.217 -11.295 1.00 0.00 N ATOM 0 H ASN A 50 -1.892 0.722 -8.393 1.00 0.00 H new ATOM 0 HA ASN A 50 -4.058 1.850 -9.766 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -2.238 -0.292 -10.652 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.782 -0.105 -11.461 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.976 2.942 -11.873 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.019 2.014 -10.371 1.00 0.00 H new ATOM 383 N CYS A 51 -4.809 -0.874 -8.137 1.00 0.00 N ATOM 384 CA CYS A 51 -6.009 -1.333 -7.397 1.00 0.00 C ATOM 385 C CYS A 51 -6.391 -0.425 -6.160 1.00 0.00 C ATOM 386 O CYS A 51 -7.321 -0.799 -5.440 1.00 0.00 O ATOM 387 CB CYS A 51 -5.721 -2.779 -6.958 1.00 0.00 C ATOM 388 SG CYS A 51 -7.110 -3.470 -6.057 1.00 0.00 S ATOM 0 H CYS A 51 -3.928 -1.256 -7.792 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.878 -1.268 -8.052 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -5.510 -3.393 -7.834 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.830 -2.801 -6.331 1.00 0.00 H new ATOM 389 N TYR A 52 -5.732 0.741 -5.899 1.00 0.00 N ATOM 390 CA TYR A 52 -5.970 1.531 -4.639 1.00 0.00 C ATOM 391 C TYR A 52 -7.054 2.572 -4.890 1.00 0.00 C ATOM 392 O TYR A 52 -8.007 2.707 -4.116 1.00 0.00 O ATOM 393 CB TYR A 52 -4.767 2.245 -3.961 1.00 0.00 C ATOM 394 CG TYR A 52 -4.829 2.550 -2.455 1.00 0.00 C ATOM 395 CD1 TYR A 52 -5.845 2.035 -1.648 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.754 3.229 -1.835 1.00 0.00 C ATOM 397 CE1 TYR A 52 -5.729 2.077 -0.273 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.683 3.320 -0.441 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.670 2.724 0.336 1.00 0.00 C ATOM 400 OH TYR A 52 -4.559 2.689 1.687 1.00 0.00 O ATOM 0 H TYR A 52 -5.043 1.154 -6.527 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.247 0.753 -3.928 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.881 1.634 -4.136 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.610 3.190 -4.481 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.725 1.602 -2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.983 3.680 -2.442 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.479 1.596 0.338 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -2.867 3.850 0.028 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.484 1.758 1.985 1.00 0.00 H new ATOM 401 N ARG A 53 -6.840 3.308 -5.992 1.00 0.00 N ATOM 402 CA ARG A 53 -7.795 4.193 -6.593 1.00 0.00 C ATOM 403 C ARG A 53 -9.254 3.708 -6.651 1.00 0.00 C ATOM 404 O ARG A 53 -10.157 4.475 -6.333 1.00 0.00 O ATOM 405 CB ARG A 53 -7.076 4.645 -7.895 1.00 0.00 C ATOM 406 CG ARG A 53 -7.684 4.063 -9.137 1.00 0.00 C ATOM 407 CD ARG A 53 -7.070 2.804 -9.635 1.00 0.00 C ATOM 408 NE ARG A 53 -6.091 3.130 -10.687 1.00 0.00 N ATOM 409 CZ ARG A 53 -6.370 3.156 -12.007 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.555 2.843 -12.528 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.416 3.529 -12.835 1.00 0.00 N ATOM 0 H ARG A 53 -5.952 3.287 -6.494 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.038 5.059 -5.977 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -7.104 5.733 -7.959 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -6.026 4.356 -7.842 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.741 3.878 -8.948 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.628 4.809 -9.929 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.581 2.275 -8.817 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.839 2.140 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.138 3.351 -10.398 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.322 2.561 -11.918 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.695 2.885 -13.537 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.498 3.788 -12.472 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.595 3.559 -13.839 1.00 0.00 H new ATOM 412 N ASP A 54 -9.404 2.442 -7.089 1.00 0.00 N ATOM 413 CA ASP A 54 -10.614 1.918 -7.781 1.00 0.00 C ATOM 414 C ASP A 54 -11.931 1.703 -6.971 1.00 0.00 C ATOM 415 O ASP A 54 -12.916 1.147 -7.449 1.00 0.00 O ATOM 416 CB ASP A 54 -10.145 0.603 -8.431 1.00 0.00 C ATOM 417 CG ASP A 54 -10.737 0.269 -9.791 1.00 0.00 C ATOM 418 OD1 ASP A 54 -10.260 0.682 -10.847 1.00 0.00 O ATOM 419 OD2 ASP A 54 -11.847 -0.531 -9.705 1.00 0.00 O ATOM 0 H ASP A 54 -8.677 1.736 -6.973 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.947 2.698 -8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.060 0.640 -8.531 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.375 -0.216 -7.749 1.00 0.00 H new ATOM 420 N ALA A 55 -11.866 2.212 -5.748 1.00 0.00 N ATOM 421 CA ALA A 55 -12.989 2.607 -4.866 1.00 0.00 C ATOM 422 C ALA A 55 -14.052 3.457 -5.623 1.00 0.00 C ATOM 423 O ALA A 55 -15.200 3.044 -5.775 1.00 0.00 O ATOM 424 CB ALA A 55 -12.265 3.344 -3.723 1.00 0.00 C ATOM 0 H ALA A 55 -10.965 2.377 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.587 1.776 -4.493 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -12.996 3.691 -2.993 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.564 2.665 -3.239 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.722 4.198 -4.127 1.00 0.00 H new ATOM 425 N LYS A 56 -13.590 4.593 -6.160 1.00 0.00 N ATOM 426 CA LYS A 56 -13.981 5.146 -7.457 1.00 0.00 C ATOM 427 C LYS A 56 -14.863 4.447 -8.490 1.00 0.00 C ATOM 428 O LYS A 56 -15.819 5.055 -8.973 1.00 0.00 O ATOM 429 CB LYS A 56 -12.484 5.270 -7.910 1.00 0.00 C ATOM 430 CG LYS A 56 -12.256 5.792 -9.304 1.00 0.00 C ATOM 431 CD LYS A 56 -10.778 6.147 -9.366 1.00 0.00 C ATOM 432 CE LYS A 56 -10.005 6.165 -10.674 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.530 7.069 -11.713 1.00 0.00 N ATOM 0 H LYS A 56 -12.904 5.175 -5.679 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.685 5.973 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -11.966 5.925 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -12.019 4.287 -7.831 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.511 5.041 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.878 6.664 -9.503 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -10.675 7.140 -8.927 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -10.260 5.451 -8.705 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -8.973 6.446 -10.461 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.984 5.152 -11.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.933 7.006 -12.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.504 6.793 -11.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.525 8.046 -11.358 1.00 0.00 H new ATOM 434 N ASN A 57 -14.477 3.239 -8.897 1.00 0.00 N ATOM 435 CA ASN A 57 -14.962 2.610 -10.150 1.00 0.00 C ATOM 436 C ASN A 57 -15.898 1.442 -9.823 1.00 0.00 C ATOM 437 O ASN A 57 -17.085 1.506 -10.145 1.00 0.00 O ATOM 438 CB ASN A 57 -13.657 2.272 -10.915 1.00 0.00 C ATOM 439 CG ASN A 57 -13.804 1.779 -12.347 1.00 0.00 C ATOM 440 OD1 ASN A 57 -14.819 1.973 -13.018 1.00 0.00 O ATOM 441 ND2 ASN A 57 -12.768 1.148 -12.867 1.00 0.00 N ATOM 0 H ASN A 57 -13.819 2.659 -8.376 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.589 3.236 -10.785 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.030 3.164 -10.926 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.119 1.512 -10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -12.804 0.817 -13.831 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -11.931 0.991 -12.305 1.00 0.00 H new ATOM 442 N LEU A 58 -15.310 0.433 -9.161 1.00 0.00 N ATOM 443 CA LEU A 58 -15.974 -0.688 -8.527 1.00 0.00 C ATOM 444 C LEU A 58 -17.182 -1.436 -9.104 1.00 0.00 C ATOM 445 O LEU A 58 -17.914 -1.022 -10.005 1.00 0.00 O ATOM 446 CB LEU A 58 -16.029 -0.281 -7.045 1.00 0.00 C ATOM 447 CG LEU A 58 -15.144 -1.077 -6.106 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.243 -0.597 -4.687 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.396 -2.570 -6.097 1.00 0.00 C ATOM 0 H LEU A 58 -14.297 0.387 -9.055 1.00 0.00 H new ATOM 0 HA LEU A 58 -15.386 -1.574 -8.768 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -15.755 0.771 -6.967 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -17.060 -0.368 -6.702 1.00 0.00 H new ATOM 0 HG LEU A 58 -14.147 -0.904 -6.511 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -14.591 -1.198 -4.053 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -14.937 0.448 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -16.273 -0.692 -4.342 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -14.714 -3.050 -5.395 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -16.425 -2.764 -5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.231 -2.973 -7.096 1.00 0.00 H new ATOM 450 N ASP A 59 -17.325 -2.615 -8.505 1.00 0.00 N ATOM 451 CA ASP A 59 -18.500 -3.502 -8.642 1.00 0.00 C ATOM 452 C ASP A 59 -19.671 -3.087 -7.681 1.00 0.00 C ATOM 453 O ASP A 59 -20.846 -3.315 -7.974 1.00 0.00 O ATOM 454 CB ASP A 59 -17.953 -4.875 -8.134 1.00 0.00 C ATOM 455 CG ASP A 59 -18.809 -6.079 -8.489 1.00 0.00 C ATOM 456 OD1 ASP A 59 -18.563 -6.535 -9.759 1.00 0.00 O ATOM 457 OD2 ASP A 59 -19.628 -6.578 -7.718 1.00 0.00 O ATOM 0 H ASP A 59 -16.609 -3.001 -7.889 1.00 0.00 H new ATOM 0 HA ASP A 59 -18.894 -3.488 -9.658 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -16.954 -5.025 -8.544 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -17.849 -4.829 -7.050 1.00 0.00 H new ATOM 458 N SER A 60 -19.267 -2.577 -6.516 1.00 0.00 N ATOM 459 CA SER A 60 -20.087 -2.260 -5.365 1.00 0.00 C ATOM 460 C SER A 60 -20.111 -0.739 -5.194 1.00 0.00 C ATOM 461 O SER A 60 -21.167 -0.246 -4.787 1.00 0.00 O ATOM 462 CB SER A 60 -19.295 -2.925 -4.215 1.00 0.00 C ATOM 463 OG SER A 60 -20.058 -3.005 -3.023 1.00 0.00 O ATOM 0 H SER A 60 -18.284 -2.362 -6.349 1.00 0.00 H new ATOM 0 HA SER A 60 -21.122 -2.596 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 60 -18.988 -3.926 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.385 -2.357 -4.025 1.00 0.00 H new ATOM 0 HG SER A 60 -19.896 -3.868 -2.588 1.00 0.00 H new ATOM 464 N CYS A 61 -18.988 0.002 -5.476 1.00 0.00 N ATOM 465 CA CYS A 61 -19.002 1.461 -5.275 1.00 0.00 C ATOM 466 C CYS A 61 -18.889 2.204 -6.619 1.00 0.00 C ATOM 467 O CYS A 61 -17.810 2.305 -7.208 1.00 0.00 O ATOM 468 CB CYS A 61 -17.924 1.813 -4.246 1.00 0.00 C ATOM 469 SG CYS A 61 -18.702 2.131 -2.650 1.00 0.00 S ATOM 0 H CYS A 61 -18.110 -0.381 -5.826 1.00 0.00 H new ATOM 0 HA CYS A 61 -19.955 1.798 -4.867 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -17.209 0.995 -4.158 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -17.366 2.691 -4.573 1.00 0.00 H new ATOM 528 N TYR A 69 -6.619 8.064 -0.274 1.00 0.00 N ATOM 529 CA TYR A 69 -6.080 6.694 -0.149 1.00 0.00 C ATOM 530 C TYR A 69 -7.267 5.692 0.213 1.00 0.00 C ATOM 531 O TYR A 69 -7.503 4.751 -0.546 1.00 0.00 O ATOM 532 CB TYR A 69 -4.933 6.529 0.892 1.00 0.00 C ATOM 533 CG TYR A 69 -3.543 7.170 0.552 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.739 6.742 -0.529 1.00 0.00 C ATOM 535 CD2 TYR A 69 -3.026 8.210 1.348 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.575 7.431 -0.893 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.862 8.901 0.982 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.163 8.531 -0.158 1.00 0.00 C ATOM 539 OH TYR A 69 -0.060 9.227 -0.541 1.00 0.00 O ATOM 0 HA TYR A 69 -5.635 6.463 -1.117 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.275 6.951 1.837 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.779 5.462 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.029 5.864 -1.087 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.537 8.481 2.260 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -0.999 7.105 -1.746 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -1.509 9.722 1.588 1.00 0.00 H new ATOM 0 HH TYR A 69 0.419 8.726 -1.234 1.00 0.00 H new ATOM 540 N THR A 70 -8.006 5.931 1.313 1.00 0.00 N ATOM 541 CA THR A 70 -8.941 5.009 1.924 1.00 0.00 C ATOM 542 C THR A 70 -10.326 4.723 1.403 1.00 0.00 C ATOM 543 O THR A 70 -10.999 5.528 0.757 1.00 0.00 O ATOM 544 CB THR A 70 -9.092 5.716 3.390 1.00 0.00 C ATOM 545 OG1 THR A 70 -9.931 4.979 4.276 1.00 0.00 O ATOM 546 CG2 THR A 70 -9.609 7.165 3.409 1.00 0.00 C ATOM 0 H THR A 70 -7.954 6.819 1.812 1.00 0.00 H new ATOM 0 HA THR A 70 -8.526 4.012 1.777 1.00 0.00 H new ATOM 0 HB THR A 70 -8.053 5.726 3.718 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.659 5.149 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.664 7.518 4.439 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.929 7.801 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.601 7.203 2.959 1.00 0.00 H new ATOM 547 N GLU A 71 -10.749 3.565 1.929 1.00 0.00 N ATOM 548 CA GLU A 71 -12.157 3.293 2.257 1.00 0.00 C ATOM 549 C GLU A 71 -12.416 2.479 3.597 1.00 0.00 C ATOM 550 O GLU A 71 -13.455 2.675 4.232 1.00 0.00 O ATOM 551 CB GLU A 71 -12.906 2.517 1.145 1.00 0.00 C ATOM 552 CG GLU A 71 -13.195 3.302 -0.127 1.00 0.00 C ATOM 553 CD GLU A 71 -14.212 4.419 0.021 1.00 0.00 C ATOM 554 OE1 GLU A 71 -15.502 3.962 -0.078 1.00 0.00 O ATOM 555 OE2 GLU A 71 -13.904 5.594 0.212 1.00 0.00 O ATOM 0 H GLU A 71 -10.123 2.788 2.140 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.537 4.307 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.318 1.638 0.882 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.852 2.158 1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.261 3.729 -0.492 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.549 2.609 -0.890 1.00 0.00 H new ATOM 556 N SER A 72 -11.505 1.559 3.932 1.00 0.00 N ATOM 557 CA SER A 72 -11.795 0.386 4.813 1.00 0.00 C ATOM 558 C SER A 72 -11.149 0.334 6.249 1.00 0.00 C ATOM 559 O SER A 72 -10.694 1.336 6.793 1.00 0.00 O ATOM 560 CB SER A 72 -11.282 -0.800 3.913 1.00 0.00 C ATOM 561 OG SER A 72 -11.817 -2.052 4.328 1.00 0.00 O ATOM 0 H SER A 72 -10.539 1.593 3.607 1.00 0.00 H new ATOM 0 HA SER A 72 -12.848 0.388 5.095 1.00 0.00 H new ATOM 0 HB2 SER A 72 -11.558 -0.614 2.875 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.193 -0.840 3.951 1.00 0.00 H new ATOM 0 HG SER A 72 -11.150 -2.531 4.863 1.00 0.00 H new ATOM 562 N TYR A 73 -11.224 -0.872 6.850 1.00 0.00 N ATOM 563 CA TYR A 73 -10.420 -1.412 7.953 1.00 0.00 C ATOM 564 C TYR A 73 -11.096 -1.570 9.330 1.00 0.00 C ATOM 565 O TYR A 73 -11.776 -0.679 9.843 1.00 0.00 O ATOM 566 CB TYR A 73 -8.998 -0.855 8.183 1.00 0.00 C ATOM 567 CG TYR A 73 -7.978 -1.557 7.330 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.445 -2.773 7.769 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.778 -1.155 6.026 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.788 -3.620 6.893 1.00 0.00 C ATOM 571 CE2 TYR A 73 -7.088 -1.974 5.153 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.593 -3.207 5.572 1.00 0.00 C ATOM 573 OH TYR A 73 -5.816 -3.937 4.738 1.00 0.00 O ATOM 0 H TYR A 73 -11.918 -1.553 6.541 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.317 -2.396 7.496 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -8.985 0.212 7.961 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -8.730 -0.965 9.234 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.547 -3.055 8.806 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.160 -0.203 5.688 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.432 -4.584 7.225 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.930 -1.654 4.133 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.359 -4.270 3.993 1.00 0.00 H new ATOM 574 N SER A 74 -10.759 -2.752 9.894 1.00 0.00 N ATOM 575 CA SER A 74 -11.199 -3.276 11.203 1.00 0.00 C ATOM 576 C SER A 74 -10.418 -4.623 11.351 1.00 0.00 C ATOM 577 O SER A 74 -10.947 -5.681 10.994 1.00 0.00 O ATOM 578 CB SER A 74 -12.721 -3.428 11.043 1.00 0.00 C ATOM 579 OG SER A 74 -13.352 -4.014 12.163 1.00 0.00 O ATOM 0 H SER A 74 -10.135 -3.403 9.417 1.00 0.00 H new ATOM 0 HA SER A 74 -11.008 -2.675 12.092 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.159 -2.446 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 74 -12.926 -4.036 10.162 1.00 0.00 H new ATOM 0 HG SER A 74 -14.316 -4.080 11.998 1.00 0.00 H new ATOM 580 N TYR A 75 -9.169 -4.612 11.850 1.00 0.00 N ATOM 581 CA TYR A 75 -8.183 -5.673 11.612 1.00 0.00 C ATOM 582 C TYR A 75 -7.698 -6.292 12.940 1.00 0.00 C ATOM 583 O TYR A 75 -8.489 -6.630 13.825 1.00 0.00 O ATOM 584 CB TYR A 75 -7.120 -5.030 10.637 1.00 0.00 C ATOM 585 CG TYR A 75 -6.321 -3.797 11.147 1.00 0.00 C ATOM 586 CD1 TYR A 75 -6.884 -2.528 11.421 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.022 -4.026 11.563 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.220 -1.625 12.253 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.351 -3.137 12.397 1.00 0.00 C ATOM 590 CZ TYR A 75 -4.969 -1.951 12.779 1.00 0.00 C ATOM 591 OH TYR A 75 -4.416 -1.140 13.725 1.00 0.00 O ATOM 0 H TYR A 75 -8.815 -3.856 12.436 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.569 -6.564 11.117 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.403 -5.805 10.365 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.637 -4.739 9.723 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.833 -2.256 10.984 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.514 -4.920 11.231 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -6.674 -0.674 12.490 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.355 -3.367 12.746 1.00 0.00 H new ATOM 0 HH TYR A 75 -3.655 -1.596 14.142 1.00 0.00 H new ATOM 592 N SER A 76 -6.384 -6.520 12.994 1.00 0.00 N ATOM 593 CA SER A 76 -5.712 -7.454 13.913 1.00 0.00 C ATOM 594 C SER A 76 -4.146 -7.288 13.801 1.00 0.00 C ATOM 595 O SER A 76 -3.637 -6.314 13.247 1.00 0.00 O ATOM 596 CB SER A 76 -6.083 -8.859 13.329 1.00 0.00 C ATOM 597 OG SER A 76 -7.318 -9.346 13.821 1.00 0.00 O ATOM 0 H SER A 76 -5.729 -6.042 12.376 1.00 0.00 H new ATOM 0 HA SER A 76 -6.003 -7.301 14.952 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.129 -8.795 12.242 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.293 -9.570 13.573 1.00 0.00 H new ATOM 0 HG SER A 76 -7.900 -8.591 14.049 1.00 0.00 H new ATOM 598 N CYS A 77 -3.448 -8.243 14.445 1.00 0.00 N ATOM 599 CA CYS A 77 -2.066 -8.674 14.145 1.00 0.00 C ATOM 600 C CYS A 77 -1.690 -9.709 15.239 1.00 0.00 C ATOM 601 O CYS A 77 -1.932 -9.557 16.442 1.00 0.00 O ATOM 602 CB CYS A 77 -1.042 -7.594 13.950 1.00 0.00 C ATOM 603 SG CYS A 77 0.565 -8.208 13.438 1.00 0.00 S ATOM 0 H CYS A 77 -3.850 -8.761 15.226 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.053 -9.115 13.148 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.407 -6.890 13.202 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.929 -7.040 14.882 1.00 0.00 H new ATOM 604 N SER A 78 -1.059 -10.745 14.728 1.00 0.00 N ATOM 605 CA SER A 78 -0.592 -11.918 15.480 1.00 0.00 C ATOM 606 C SER A 78 0.676 -12.317 14.700 1.00 0.00 C ATOM 607 O SER A 78 0.601 -12.716 13.541 1.00 0.00 O ATOM 608 CB SER A 78 -1.629 -13.060 15.478 1.00 0.00 C ATOM 609 OG SER A 78 -2.778 -12.709 16.242 1.00 0.00 O ATOM 0 H SER A 78 -0.842 -10.807 13.733 1.00 0.00 H new ATOM 0 HA SER A 78 -0.419 -11.710 16.536 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.925 -13.285 14.453 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.179 -13.965 15.886 1.00 0.00 H new ATOM 0 HG SER A 78 -3.421 -13.448 16.224 1.00 0.00 H new ATOM 610 N ASN A 79 1.782 -12.446 15.435 1.00 0.00 N ATOM 611 CA ASN A 79 3.186 -12.318 14.938 1.00 0.00 C ATOM 612 C ASN A 79 3.451 -11.301 13.784 1.00 0.00 C ATOM 613 O ASN A 79 4.079 -10.275 14.055 1.00 0.00 O ATOM 614 CB ASN A 79 3.600 -13.767 14.451 1.00 0.00 C ATOM 615 CG ASN A 79 3.948 -14.778 15.540 1.00 0.00 C ATOM 616 OD1 ASN A 79 4.262 -14.447 16.683 1.00 0.00 O ATOM 617 ND2 ASN A 79 3.926 -16.052 15.194 1.00 0.00 N ATOM 0 H ASN A 79 1.741 -12.650 16.433 1.00 0.00 H new ATOM 0 HA ASN A 79 3.773 -11.915 15.763 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.782 -14.174 13.857 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.459 -13.671 13.787 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.170 -16.770 15.876 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.665 -16.318 14.245 1.00 0.00 H new ATOM 618 N THR A 80 2.984 -11.570 12.574 1.00 0.00 N ATOM 619 CA THR A 80 3.079 -10.634 11.404 1.00 0.00 C ATOM 620 C THR A 80 1.810 -10.717 10.491 1.00 0.00 C ATOM 621 O THR A 80 1.871 -10.522 9.273 1.00 0.00 O ATOM 622 CB THR A 80 4.354 -10.999 10.573 1.00 0.00 C ATOM 623 OG1 THR A 80 4.376 -12.373 10.176 1.00 0.00 O ATOM 624 CG2 THR A 80 5.615 -10.678 11.366 1.00 0.00 C ATOM 0 H THR A 80 2.518 -12.449 12.348 1.00 0.00 H new ATOM 0 HA THR A 80 3.145 -9.613 11.780 1.00 0.00 H new ATOM 0 HB THR A 80 4.321 -10.394 9.667 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.189 -12.551 9.659 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.493 -10.938 10.774 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.637 -9.614 11.600 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.619 -11.253 12.292 1.00 0.00 H new ATOM 625 N GLU A 81 0.677 -11.037 11.135 1.00 0.00 N ATOM 626 CA GLU A 81 -0.431 -11.743 10.461 1.00 0.00 C ATOM 627 C GLU A 81 -1.770 -11.372 11.066 1.00 0.00 C ATOM 628 O GLU A 81 -2.065 -11.593 12.241 1.00 0.00 O ATOM 629 CB GLU A 81 -0.339 -13.290 10.556 1.00 0.00 C ATOM 630 CG GLU A 81 0.877 -13.766 9.779 1.00 0.00 C ATOM 631 CD GLU A 81 0.978 -15.254 9.571 1.00 0.00 C ATOM 632 OE1 GLU A 81 1.593 -15.881 10.625 1.00 0.00 O ATOM 633 OE2 GLU A 81 0.556 -15.830 8.569 1.00 0.00 O ATOM 0 H GLU A 81 0.501 -10.821 12.116 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.347 -11.432 9.420 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.263 -13.599 11.599 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.244 -13.746 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.874 -13.281 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.773 -13.429 10.300 1.00 0.00 H new ATOM 634 N ILE A 82 -2.598 -10.859 10.182 1.00 0.00 N ATOM 635 CA ILE A 82 -3.689 -9.963 10.602 1.00 0.00 C ATOM 636 C ILE A 82 -5.024 -10.560 10.080 1.00 0.00 C ATOM 637 O ILE A 82 -5.395 -11.660 10.497 1.00 0.00 O ATOM 638 CB ILE A 82 -3.187 -8.560 10.172 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.861 -8.034 10.790 1.00 0.00 C ATOM 640 CG2 ILE A 82 -4.191 -7.431 10.243 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.853 -7.610 9.745 1.00 0.00 C ATOM 0 H ILE A 82 -2.551 -11.035 9.178 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.930 -9.859 11.660 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.993 -8.820 9.131 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.080 -7.188 11.441 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.423 -8.812 11.415 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.719 -6.504 9.917 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.037 -7.655 9.594 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.541 -7.319 11.269 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.052 -7.252 10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.608 -8.461 9.109 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.275 -6.811 9.135 1.00 0.00 H new ATOM 642 N THR A 83 -5.735 -9.790 9.249 1.00 0.00 N ATOM 643 CA THR A 83 -7.109 -10.108 8.736 1.00 0.00 C ATOM 644 C THR A 83 -7.501 -8.999 7.715 1.00 0.00 C ATOM 645 O THR A 83 -6.976 -9.113 6.617 1.00 0.00 O ATOM 646 CB THR A 83 -8.170 -10.460 9.809 1.00 0.00 C ATOM 647 OG1 THR A 83 -9.360 -10.934 9.178 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.525 -9.315 10.746 1.00 0.00 C ATOM 0 H THR A 83 -5.379 -8.902 8.895 1.00 0.00 H new ATOM 0 HA THR A 83 -7.080 -11.065 8.216 1.00 0.00 H new ATOM 0 HB THR A 83 -7.714 -11.233 10.428 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.026 -11.156 9.861 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.274 -9.651 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.631 -8.991 11.279 1.00 0.00 H new ATOM 0 HG23 THR A 83 -8.924 -8.482 10.168 1.00 0.00 H new ATOM 649 N CYS A 84 -8.446 -8.046 7.958 1.00 0.00 N ATOM 650 CA CYS A 84 -8.643 -6.827 7.153 1.00 0.00 C ATOM 651 C CYS A 84 -9.828 -6.017 7.743 1.00 0.00 C ATOM 652 O CYS A 84 -9.629 -4.898 8.207 1.00 0.00 O ATOM 653 CB CYS A 84 -8.695 -6.870 5.631 1.00 0.00 C ATOM 654 SG CYS A 84 -10.328 -7.056 4.927 1.00 0.00 S ATOM 0 H CYS A 84 -9.100 -8.115 8.738 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.673 -6.340 7.259 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.252 -5.953 5.243 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -8.072 -7.695 5.286 1.00 0.00 H new ATOM 655 N ASN A 85 -11.047 -6.592 7.676 1.00 0.00 N ATOM 656 CA ASN A 85 -12.304 -5.916 8.027 1.00 0.00 C ATOM 657 C ASN A 85 -13.261 -6.837 8.830 1.00 0.00 C ATOM 658 O ASN A 85 -13.015 -8.039 8.994 1.00 0.00 O ATOM 659 CB ASN A 85 -12.923 -5.330 6.733 1.00 0.00 C ATOM 660 CG ASN A 85 -13.651 -6.190 5.703 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.493 -5.668 4.975 1.00 0.00 O ATOM 662 ND2 ASN A 85 -13.377 -7.481 5.580 1.00 0.00 N ATOM 0 H ASN A 85 -11.183 -7.556 7.371 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.107 -5.089 8.709 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.627 -4.559 7.047 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.115 -4.827 6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.865 -8.042 4.881 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.678 -7.914 6.184 1.00 0.00 H new ATOM 663 N SER A 86 -14.370 -6.260 9.319 1.00 0.00 N ATOM 664 CA SER A 86 -15.475 -7.043 9.937 1.00 0.00 C ATOM 665 C SER A 86 -16.843 -6.416 9.524 1.00 0.00 C ATOM 666 O SER A 86 -17.641 -6.007 10.374 1.00 0.00 O ATOM 667 CB SER A 86 -15.295 -7.130 11.470 1.00 0.00 C ATOM 668 OG SER A 86 -14.108 -7.836 11.820 1.00 0.00 O ATOM 0 H SER A 86 -14.534 -5.253 9.303 1.00 0.00 H new ATOM 0 HA SER A 86 -15.454 -8.069 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.258 -6.125 11.890 1.00 0.00 H new ATOM 0 HB3 SER A 86 -16.159 -7.628 11.911 1.00 0.00 H new ATOM 0 HG SER A 86 -13.655 -8.139 11.005 1.00 0.00 H new ATOM 669 N LYS A 87 -17.100 -6.359 8.199 1.00 0.00 N ATOM 670 CA LYS A 87 -18.287 -5.695 7.622 1.00 0.00 C ATOM 671 C LYS A 87 -18.550 -6.166 6.163 1.00 0.00 C ATOM 672 O LYS A 87 -19.565 -6.826 5.928 1.00 0.00 O ATOM 673 CB LYS A 87 -18.342 -4.177 7.857 1.00 0.00 C ATOM 674 CG LYS A 87 -17.170 -3.306 7.422 1.00 0.00 C ATOM 675 CD LYS A 87 -16.191 -2.916 8.537 1.00 0.00 C ATOM 676 CE LYS A 87 -15.295 -1.708 8.198 1.00 0.00 C ATOM 677 NZ LYS A 87 -14.364 -1.935 7.080 1.00 0.00 N ATOM 0 H LYS A 87 -16.487 -6.774 7.498 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.152 -6.035 8.192 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.233 -3.801 7.353 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.488 -4.017 8.925 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.617 -3.832 6.644 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.564 -2.395 6.972 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -16.758 -2.691 9.441 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.556 -3.773 8.764 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.931 -0.856 7.958 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -14.720 -1.437 9.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -14.079 -1.021 6.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -13.522 -2.438 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -14.833 -2.507 6.349 1.00 0.00 H new ATOM 678 N ASN A 88 -17.653 -5.832 5.216 1.00 0.00 N ATOM 679 CA ASN A 88 -17.707 -6.256 3.795 1.00 0.00 C ATOM 680 C ASN A 88 -18.908 -5.773 2.924 1.00 0.00 C ATOM 681 O ASN A 88 -20.033 -5.543 3.368 1.00 0.00 O ATOM 682 CB ASN A 88 -17.238 -7.710 3.520 1.00 0.00 C ATOM 683 CG ASN A 88 -18.127 -8.847 3.995 1.00 0.00 C ATOM 684 OD1 ASN A 88 -19.218 -9.066 3.468 1.00 0.00 O ATOM 685 ND2 ASN A 88 -17.695 -9.601 4.992 1.00 0.00 N ATOM 0 H ASN A 88 -16.846 -5.243 5.419 1.00 0.00 H new ATOM 0 HA ASN A 88 -16.915 -5.629 3.387 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.102 -7.819 2.444 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.258 -7.838 3.980 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -18.267 -10.374 5.332 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -16.789 -9.410 5.421 1.00 0.00 H new ATOM 686 N ASN A 89 -18.519 -5.665 1.657 1.00 0.00 N ATOM 687 CA ASN A 89 -19.193 -5.044 0.504 1.00 0.00 C ATOM 688 C ASN A 89 -17.989 -4.300 -0.133 1.00 0.00 C ATOM 689 O ASN A 89 -17.311 -3.511 0.534 1.00 0.00 O ATOM 690 CB ASN A 89 -20.460 -4.193 0.584 1.00 0.00 C ATOM 691 CG ASN A 89 -20.547 -3.018 1.545 1.00 0.00 C ATOM 692 OD1 ASN A 89 -19.741 -2.091 1.498 1.00 0.00 O ATOM 693 ND2 ASN A 89 -21.542 -2.992 2.415 1.00 0.00 N ATOM 0 H ASN A 89 -17.620 -6.054 1.373 1.00 0.00 H new ATOM 0 HA ASN A 89 -19.712 -5.833 -0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -20.648 -3.804 -0.416 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -21.283 -4.866 0.825 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -21.643 -2.201 3.051 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.209 -3.763 2.451 1.00 0.00 H new ATOM 694 N ALA A 90 -17.731 -4.579 -1.410 1.00 0.00 N ATOM 695 CA ALA A 90 -16.454 -4.218 -2.082 1.00 0.00 C ATOM 696 C ALA A 90 -15.926 -2.751 -1.979 1.00 0.00 C ATOM 697 O ALA A 90 -14.719 -2.522 -2.011 1.00 0.00 O ATOM 698 CB ALA A 90 -16.503 -4.787 -3.503 1.00 0.00 C ATOM 0 H ALA A 90 -18.392 -5.061 -2.019 1.00 0.00 H new ATOM 0 HA ALA A 90 -15.662 -4.683 -1.494 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.579 -4.540 -4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.616 -5.870 -3.458 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.349 -4.356 -4.038 1.00 0.00 H new ATOM 699 N CYS A 91 -16.800 -1.762 -1.767 1.00 0.00 N ATOM 700 CA CYS A 91 -16.431 -0.424 -1.215 1.00 0.00 C ATOM 701 C CYS A 91 -15.313 -0.415 -0.101 1.00 0.00 C ATOM 702 O CYS A 91 -14.282 0.215 -0.302 1.00 0.00 O ATOM 703 CB CYS A 91 -17.739 0.049 -0.545 1.00 0.00 C ATOM 704 SG CYS A 91 -19.054 0.384 -1.726 1.00 0.00 S ATOM 0 H CYS A 91 -17.795 -1.853 -1.970 1.00 0.00 H new ATOM 0 HA CYS A 91 -16.027 0.187 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -18.076 -0.712 0.159 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.539 0.951 0.033 1.00 0.00 H new ATOM 705 N GLU A 92 -15.528 -1.133 1.015 1.00 0.00 N ATOM 706 CA GLU A 92 -14.528 -1.350 2.070 1.00 0.00 C ATOM 707 C GLU A 92 -13.693 -2.607 1.744 1.00 0.00 C ATOM 708 O GLU A 92 -12.495 -2.455 1.522 1.00 0.00 O ATOM 709 CB GLU A 92 -15.137 -1.450 3.497 1.00 0.00 C ATOM 710 CG GLU A 92 -16.329 -2.401 3.672 1.00 0.00 C ATOM 711 CD GLU A 92 -17.694 -1.800 3.968 1.00 0.00 C ATOM 712 OE1 GLU A 92 -17.884 -0.570 3.385 1.00 0.00 O ATOM 713 OE2 GLU A 92 -18.555 -2.393 4.615 1.00 0.00 O ATOM 0 H GLU A 92 -16.420 -1.587 1.211 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.887 -0.468 2.083 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.349 -1.762 4.182 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.450 -0.452 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.417 -2.994 2.762 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.088 -3.091 4.480 1.00 0.00 H new ATOM 714 N ALA A 93 -14.299 -3.815 1.696 1.00 0.00 N ATOM 715 CA ALA A 93 -13.549 -5.065 1.549 1.00 0.00 C ATOM 716 C ALA A 93 -12.672 -5.231 0.308 1.00 0.00 C ATOM 717 O ALA A 93 -11.675 -5.948 0.424 1.00 0.00 O ATOM 718 CB ALA A 93 -14.439 -6.303 1.619 1.00 0.00 C ATOM 0 H ALA A 93 -15.309 -3.942 1.758 1.00 0.00 H new ATOM 0 HA ALA A 93 -12.879 -4.979 2.405 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.827 -7.198 1.504 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -14.947 -6.332 2.583 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.179 -6.264 0.820 1.00 0.00 H new ATOM 719 N PHE A 94 -13.016 -4.631 -0.856 1.00 0.00 N ATOM 720 CA PHE A 94 -12.062 -4.683 -2.015 1.00 0.00 C ATOM 721 C PHE A 94 -10.857 -3.747 -1.807 1.00 0.00 C ATOM 722 O PHE A 94 -9.765 -4.092 -2.268 1.00 0.00 O ATOM 723 CB PHE A 94 -12.834 -4.624 -3.333 1.00 0.00 C ATOM 724 CG PHE A 94 -12.329 -3.870 -4.554 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.800 -2.572 -4.482 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.595 -4.403 -5.815 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.392 -1.892 -5.620 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.280 -3.687 -6.964 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.640 -2.449 -6.863 1.00 0.00 C ATOM 0 H PHE A 94 -13.889 -4.131 -1.025 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.556 -5.646 -2.078 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -12.988 -5.656 -3.648 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.816 -4.212 -3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.709 -2.092 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.049 -5.379 -5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.888 -0.941 -5.538 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.530 -4.088 -7.935 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.338 -1.925 -7.758 1.00 0.00 H new ATOM 730 N ILE A 95 -11.046 -2.569 -1.157 1.00 0.00 N ATOM 731 CA ILE A 95 -9.900 -1.685 -0.802 1.00 0.00 C ATOM 732 C ILE A 95 -9.016 -2.414 0.268 1.00 0.00 C ATOM 733 O ILE A 95 -7.797 -2.422 0.109 1.00 0.00 O ATOM 734 CB ILE A 95 -10.386 -0.255 -0.393 1.00 0.00 C ATOM 735 CG1 ILE A 95 -10.742 0.594 -1.646 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.303 0.554 0.367 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.065 0.298 -2.329 1.00 0.00 C ATOM 0 H ILE A 95 -11.959 -2.213 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.265 -1.507 -1.670 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.251 -0.426 0.247 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.739 1.644 -1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.946 0.465 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.697 1.537 0.625 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -9.025 0.024 1.278 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.424 0.670 -0.267 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.188 0.960 -3.186 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.077 -0.738 -2.666 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.882 0.460 -1.626 1.00 0.00 H new ATOM 738 N CYS A 96 -9.648 -3.042 1.288 1.00 0.00 N ATOM 739 CA CYS A 96 -8.990 -3.985 2.215 1.00 0.00 C ATOM 740 C CYS A 96 -8.211 -5.148 1.547 1.00 0.00 C ATOM 741 O CYS A 96 -7.166 -5.517 2.080 1.00 0.00 O ATOM 742 CB CYS A 96 -10.032 -4.529 3.227 1.00 0.00 C ATOM 743 SG CYS A 96 -10.286 -6.309 3.096 1.00 0.00 S ATOM 0 H CYS A 96 -10.638 -2.905 1.490 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.219 -3.406 2.724 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -9.706 -4.288 4.239 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -10.983 -4.020 3.069 1.00 0.00 H new ATOM 744 N ASN A 97 -8.711 -5.733 0.430 1.00 0.00 N ATOM 745 CA ASN A 97 -7.981 -6.821 -0.290 1.00 0.00 C ATOM 746 C ASN A 97 -6.674 -6.368 -0.970 1.00 0.00 C ATOM 747 O ASN A 97 -5.676 -7.085 -0.860 1.00 0.00 O ATOM 748 CB ASN A 97 -8.943 -7.468 -1.309 1.00 0.00 C ATOM 749 CG ASN A 97 -8.588 -8.881 -1.773 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.879 -9.641 -1.113 1.00 0.00 O ATOM 751 ND2 ASN A 97 -9.112 -9.280 -2.917 1.00 0.00 N ATOM 0 H ASN A 97 -9.604 -5.478 0.008 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.663 -7.548 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.940 -7.493 -0.870 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.997 -6.823 -2.186 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -8.931 -10.223 -3.260 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -9.698 -8.645 -3.458 1.00 0.00 H new ATOM 752 N CYS A 98 -6.669 -5.204 -1.638 1.00 0.00 N ATOM 753 CA CYS A 98 -5.413 -4.605 -2.133 1.00 0.00 C ATOM 754 C CYS A 98 -4.496 -4.116 -0.993 1.00 0.00 C ATOM 755 O CYS A 98 -3.306 -4.420 -1.066 1.00 0.00 O ATOM 756 CB CYS A 98 -5.758 -3.596 -3.229 1.00 0.00 C ATOM 757 SG CYS A 98 -6.356 -4.609 -4.617 1.00 0.00 S ATOM 0 H CYS A 98 -7.507 -4.662 -1.847 1.00 0.00 H new ATOM 0 HA CYS A 98 -4.779 -5.357 -2.603 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.521 -2.893 -2.894 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -4.886 -3.008 -3.515 1.00 0.00 H new ATOM 758 N ASP A 99 -5.010 -3.452 0.072 1.00 0.00 N ATOM 759 CA ASP A 99 -4.215 -3.087 1.273 1.00 0.00 C ATOM 760 C ASP A 99 -3.529 -4.295 1.952 1.00 0.00 C ATOM 761 O ASP A 99 -2.312 -4.265 2.061 1.00 0.00 O ATOM 762 CB ASP A 99 -5.045 -2.299 2.296 1.00 0.00 C ATOM 763 CG ASP A 99 -5.288 -0.836 1.988 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.386 -0.009 1.951 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.613 -0.544 1.819 1.00 0.00 O ATOM 0 H ASP A 99 -5.984 -3.155 0.123 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.420 -2.441 0.899 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -6.012 -2.790 2.401 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.547 -2.366 3.263 1.00 0.00 H new ATOM 766 N ARG A 100 -4.252 -5.342 2.350 1.00 0.00 N ATOM 767 CA ARG A 100 -3.641 -6.566 2.897 1.00 0.00 C ATOM 768 C ARG A 100 -2.688 -7.310 1.950 1.00 0.00 C ATOM 769 O ARG A 100 -1.626 -7.678 2.444 1.00 0.00 O ATOM 770 CB ARG A 100 -4.687 -7.599 3.312 1.00 0.00 C ATOM 771 CG ARG A 100 -5.479 -7.292 4.560 1.00 0.00 C ATOM 772 CD ARG A 100 -4.740 -7.109 5.877 1.00 0.00 C ATOM 773 NE ARG A 100 -3.631 -7.974 6.275 1.00 0.00 N ATOM 774 CZ ARG A 100 -3.525 -9.313 6.213 1.00 0.00 C ATOM 775 NH1 ARG A 100 -4.444 -10.130 5.722 1.00 0.00 N ATOM 776 NH2 ARG A 100 -2.414 -9.855 6.670 1.00 0.00 N ATOM 0 H ARG A 100 -5.271 -5.372 2.305 1.00 0.00 H new ATOM 0 HA ARG A 100 -3.075 -6.176 3.743 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.387 -7.726 2.486 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.184 -8.556 3.454 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.048 -6.381 4.373 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -6.201 -8.097 4.697 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.359 -6.088 5.883 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.488 -7.175 6.667 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.818 -7.491 6.656 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.316 -9.753 5.351 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -4.280 -11.137 5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.677 -9.262 7.051 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -2.291 -10.867 6.642 1.00 0.00 H new ATOM 777 N ASN A 101 -2.998 -7.560 0.656 1.00 0.00 N ATOM 778 CA ASN A 101 -1.947 -8.137 -0.235 1.00 0.00 C ATOM 779 C ASN A 101 -0.746 -7.141 -0.535 1.00 0.00 C ATOM 780 O ASN A 101 0.276 -7.583 -1.059 1.00 0.00 O ATOM 781 CB ASN A 101 -2.560 -8.659 -1.548 1.00 0.00 C ATOM 782 CG ASN A 101 -3.415 -9.924 -1.403 1.00 0.00 C ATOM 783 OD1 ASN A 101 -2.988 -10.923 -0.824 1.00 0.00 O ATOM 784 ND2 ASN A 101 -4.623 -9.923 -1.938 1.00 0.00 N ATOM 0 H ASN A 101 -3.904 -7.387 0.220 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.518 -8.973 0.317 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.174 -7.871 -1.984 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.754 -8.862 -2.253 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.210 -10.755 -1.873 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.968 -9.091 -2.416 1.00 0.00 H new ATOM 785 N ALA A 102 -0.883 -5.857 -0.157 1.00 0.00 N ATOM 786 CA ALA A 102 0.224 -4.916 0.020 1.00 0.00 C ATOM 787 C ALA A 102 0.859 -4.999 1.442 1.00 0.00 C ATOM 788 O ALA A 102 2.056 -4.794 1.462 1.00 0.00 O ATOM 789 CB ALA A 102 -0.230 -3.516 -0.383 1.00 0.00 C ATOM 0 H ALA A 102 -1.793 -5.440 0.037 1.00 0.00 H new ATOM 0 HA ALA A 102 1.041 -5.196 -0.645 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.594 -2.814 -0.252 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.539 -3.521 -1.428 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.069 -3.212 0.242 1.00 0.00 H new ATOM 790 N ALA A 103 0.201 -5.330 2.596 1.00 0.00 N ATOM 791 CA ALA A 103 0.952 -5.717 3.871 1.00 0.00 C ATOM 792 C ALA A 103 1.931 -6.939 3.731 1.00 0.00 C ATOM 793 O ALA A 103 2.975 -7.011 4.374 1.00 0.00 O ATOM 794 CB ALA A 103 -0.068 -5.961 4.994 1.00 0.00 C ATOM 0 H ALA A 103 -0.815 -5.342 2.687 1.00 0.00 H new ATOM 0 HA ALA A 103 1.606 -4.877 4.107 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.457 -6.238 5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.643 -5.051 5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.742 -6.767 4.704 1.00 0.00 H new ATOM 795 N ILE A 104 1.527 -7.812 2.829 1.00 0.00 N ATOM 796 CA ILE A 104 2.192 -9.017 2.288 1.00 0.00 C ATOM 797 C ILE A 104 3.292 -8.554 1.375 1.00 0.00 C ATOM 798 O ILE A 104 4.425 -8.552 1.812 1.00 0.00 O ATOM 799 CB ILE A 104 1.002 -9.764 1.595 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.109 -10.583 2.551 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.259 -10.625 0.350 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.057 -10.009 3.942 1.00 0.00 C ATOM 0 H ILE A 104 0.612 -7.692 2.394 1.00 0.00 H new ATOM 0 HA ILE A 104 2.685 -9.685 2.995 1.00 0.00 H new ATOM 0 HB ILE A 104 0.495 -8.870 1.230 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.878 -10.686 2.099 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.526 -11.586 2.639 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.320 -11.063 0.010 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.677 -10.004 -0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 104 1.962 -11.421 0.597 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.702 -10.662 4.530 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.918 -9.933 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.507 -9.018 3.876 1.00 0.00 H new ATOM 803 N CYS A 105 3.004 -8.087 0.161 1.00 0.00 N ATOM 804 CA CYS A 105 4.056 -7.618 -0.768 1.00 0.00 C ATOM 805 C CYS A 105 5.119 -6.663 -0.098 1.00 0.00 C ATOM 806 O CYS A 105 6.305 -6.763 -0.390 1.00 0.00 O ATOM 807 CB CYS A 105 3.438 -6.763 -1.880 1.00 0.00 C ATOM 808 SG CYS A 105 2.552 -7.530 -3.209 1.00 0.00 S ATOM 0 H CYS A 105 2.056 -8.019 -0.211 1.00 0.00 H new ATOM 0 HA CYS A 105 4.532 -8.533 -1.121 1.00 0.00 H new ATOM 0 HB2 CYS A 105 2.758 -6.057 -1.404 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.244 -6.179 -2.324 1.00 0.00 H new ATOM 809 N PHE A 106 4.668 -5.829 0.840 1.00 0.00 N ATOM 810 CA PHE A 106 5.557 -4.911 1.575 1.00 0.00 C ATOM 811 C PHE A 106 6.337 -5.562 2.710 1.00 0.00 C ATOM 812 O PHE A 106 7.487 -5.181 2.935 1.00 0.00 O ATOM 813 CB PHE A 106 4.714 -3.720 1.952 1.00 0.00 C ATOM 814 CG PHE A 106 4.213 -2.882 0.709 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.477 -3.102 -0.683 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.287 -1.918 1.045 1.00 0.00 C ATOM 817 CE1 PHE A 106 3.785 -2.379 -1.648 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.644 -1.147 0.087 1.00 0.00 C ATOM 819 CZ PHE A 106 2.888 -1.386 -1.263 1.00 0.00 C ATOM 0 H PHE A 106 3.688 -5.766 1.114 1.00 0.00 H new ATOM 0 HA PHE A 106 6.383 -4.581 0.944 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.850 -4.062 2.521 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.291 -3.070 2.609 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.215 -3.831 -0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 106 3.054 -1.758 2.087 1.00 0.00 H new ATOM 0 HE1 PHE A 106 3.943 -2.587 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.959 -0.367 0.386 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.380 -0.799 -2.014 1.00 0.00 H new ATOM 820 N SER A 107 5.779 -6.571 3.391 1.00 0.00 N ATOM 821 CA SER A 107 6.630 -7.439 4.233 1.00 0.00 C ATOM 822 C SER A 107 7.557 -8.430 3.462 1.00 0.00 C ATOM 823 O SER A 107 8.582 -8.822 4.025 1.00 0.00 O ATOM 824 CB SER A 107 5.746 -8.177 5.256 1.00 0.00 C ATOM 825 OG SER A 107 6.502 -9.047 6.094 1.00 0.00 O ATOM 0 H SER A 107 4.786 -6.805 3.383 1.00 0.00 H new ATOM 0 HA SER A 107 7.331 -6.774 4.737 1.00 0.00 H new ATOM 0 HB2 SER A 107 5.221 -7.448 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.987 -8.754 4.728 1.00 0.00 H new ATOM 0 HG SER A 107 6.332 -8.826 7.033 1.00 0.00 H new ATOM 826 N LYS A 108 7.198 -8.850 2.224 1.00 0.00 N ATOM 827 CA LYS A 108 7.647 -10.149 1.696 1.00 0.00 C ATOM 828 C LYS A 108 7.688 -10.408 0.159 1.00 0.00 C ATOM 829 O LYS A 108 8.000 -11.541 -0.227 1.00 0.00 O ATOM 830 CB LYS A 108 6.934 -11.292 2.462 1.00 0.00 C ATOM 831 CG LYS A 108 5.478 -11.154 2.883 1.00 0.00 C ATOM 832 CD LYS A 108 4.397 -11.794 2.018 1.00 0.00 C ATOM 833 CE LYS A 108 4.790 -12.934 1.078 1.00 0.00 C ATOM 834 NZ LYS A 108 3.629 -13.662 0.536 1.00 0.00 N ATOM 0 H LYS A 108 6.609 -8.314 1.587 1.00 0.00 H new ATOM 0 HA LYS A 108 8.719 -10.118 1.889 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.006 -12.186 1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.513 -11.482 3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.385 -11.568 3.887 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.255 -10.089 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.619 -12.167 2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.948 -11.006 1.413 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.376 -12.531 0.252 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.432 -13.633 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.950 -14.545 0.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 2.967 -13.883 1.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.149 -13.072 -0.173 1.00 0.00 H new ATOM 835 N ALA A 109 7.498 -9.404 -0.714 1.00 0.00 N ATOM 836 CA ALA A 109 7.794 -9.545 -2.169 1.00 0.00 C ATOM 837 C ALA A 109 9.281 -10.000 -2.493 1.00 0.00 C ATOM 838 O ALA A 109 10.079 -10.200 -1.573 1.00 0.00 O ATOM 839 CB ALA A 109 7.669 -8.144 -2.841 1.00 0.00 C ATOM 0 H ALA A 109 7.143 -8.485 -0.449 1.00 0.00 H new ATOM 0 HA ALA A 109 7.094 -10.298 -2.532 1.00 0.00 H new ATOM 0 HB1 ALA A 109 7.883 -8.231 -3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.657 -7.764 -2.704 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.380 -7.456 -2.383 1.00 0.00 H new ATOM 840 N PRO A 110 9.679 -10.076 -3.781 1.00 0.00 N ATOM 841 CA PRO A 110 11.133 -10.084 -4.245 1.00 0.00 C ATOM 842 C PRO A 110 11.799 -8.698 -4.082 1.00 0.00 C ATOM 843 O PRO A 110 12.111 -7.916 -4.985 1.00 0.00 O ATOM 844 CB PRO A 110 10.961 -10.466 -5.730 1.00 0.00 C ATOM 845 CG PRO A 110 9.730 -11.379 -5.637 1.00 0.00 C ATOM 846 CD PRO A 110 8.767 -10.479 -4.860 1.00 0.00 C ATOM 0 HA PRO A 110 11.781 -10.753 -3.679 1.00 0.00 H new ATOM 0 HB2 PRO A 110 10.787 -9.597 -6.365 1.00 0.00 H new ATOM 0 HB3 PRO A 110 11.833 -10.984 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.341 -11.651 -6.618 1.00 0.00 H new ATOM 0 HG3 PRO A 110 9.943 -12.309 -5.110 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.407 -9.635 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 110 7.889 -11.012 -4.496 1.00 0.00 H new ATOM 847 N TYR A 111 11.953 -8.519 -2.793 1.00 0.00 N ATOM 848 CA TYR A 111 12.289 -7.243 -2.145 1.00 0.00 C ATOM 849 C TYR A 111 13.727 -6.710 -2.483 1.00 0.00 C ATOM 850 O TYR A 111 14.601 -7.546 -2.739 1.00 0.00 O ATOM 851 CB TYR A 111 12.387 -7.656 -0.616 1.00 0.00 C ATOM 852 CG TYR A 111 11.818 -6.622 0.305 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.447 -6.657 0.410 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.542 -5.557 0.887 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.773 -5.600 0.989 1.00 0.00 C ATOM 856 CE2 TYR A 111 11.859 -4.562 1.585 1.00 0.00 C ATOM 857 CZ TYR A 111 10.468 -4.577 1.633 1.00 0.00 C ATOM 858 OH TYR A 111 9.834 -3.506 2.168 1.00 0.00 O ATOM 0 H TYR A 111 11.846 -9.282 -2.125 1.00 0.00 H new ATOM 0 HA TYR A 111 11.567 -6.482 -2.442 1.00 0.00 H new ATOM 0 HB2 TYR A 111 11.861 -8.599 -0.465 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.432 -7.829 -0.358 1.00 0.00 H new ATOM 0 HD1 TYR A 111 9.898 -7.510 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.617 -5.514 0.792 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.695 -5.565 0.942 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.409 -3.780 2.088 1.00 0.00 H new ATOM 0 HH TYR A 111 8.920 -3.459 1.819 1.00 0.00 H new ATOM 859 N ASN A 112 14.025 -5.395 -2.404 1.00 0.00 N ATOM 860 CA ASN A 112 15.436 -4.919 -2.428 1.00 0.00 C ATOM 861 C ASN A 112 15.443 -3.542 -1.695 1.00 0.00 C ATOM 862 O ASN A 112 15.070 -2.489 -2.210 1.00 0.00 O ATOM 863 CB ASN A 112 16.063 -4.761 -3.832 1.00 0.00 C ATOM 864 CG ASN A 112 16.519 -6.048 -4.512 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.451 -6.710 -4.057 1.00 0.00 O ATOM 866 ND2 ASN A 112 15.888 -6.435 -5.608 1.00 0.00 N ATOM 0 H ASN A 112 13.329 -4.654 -2.325 1.00 0.00 H new ATOM 0 HA ASN A 112 16.050 -5.679 -1.945 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.336 -4.270 -4.479 1.00 0.00 H new ATOM 0 HB3 ASN A 112 16.921 -4.093 -3.752 1.00 0.00 H new ATOM 0 HD21 ASN A 112 16.173 -7.290 -6.085 1.00 0.00 H new ATOM 0 HD22 ASN A 112 15.117 -5.878 -5.976 1.00 0.00 H new ATOM 867 N LYS A 113 15.960 -3.649 -0.481 1.00 0.00 N ATOM 868 CA LYS A 113 16.055 -2.635 0.575 1.00 0.00 C ATOM 869 C LYS A 113 17.443 -2.016 0.721 1.00 0.00 C ATOM 870 O LYS A 113 18.301 -2.339 1.547 1.00 0.00 O ATOM 871 CB LYS A 113 15.549 -3.384 1.810 1.00 0.00 C ATOM 872 CG LYS A 113 16.320 -4.625 2.329 1.00 0.00 C ATOM 873 CD LYS A 113 16.525 -5.863 1.448 1.00 0.00 C ATOM 874 CE LYS A 113 17.887 -5.968 0.729 1.00 0.00 C ATOM 875 NZ LYS A 113 18.997 -6.343 1.626 1.00 0.00 N ATOM 0 H LYS A 113 16.365 -4.533 -0.174 1.00 0.00 H new ATOM 0 HA LYS A 113 15.464 -1.743 0.365 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.501 -2.666 2.628 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.527 -3.700 1.602 1.00 0.00 H new ATOM 0 HG2 LYS A 113 17.310 -4.281 2.629 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.811 -4.959 3.233 1.00 0.00 H new ATOM 0 HD2 LYS A 113 16.395 -6.750 2.068 1.00 0.00 H new ATOM 0 HD3 LYS A 113 15.737 -5.882 0.695 1.00 0.00 H new ATOM 0 HE2 LYS A 113 17.811 -6.705 -0.071 1.00 0.00 H new ATOM 0 HE3 LYS A 113 18.116 -5.011 0.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 19.881 -6.396 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 19.094 -5.628 2.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 18.799 -7.269 2.055 1.00 0.00 H new ATOM 876 N GLU A 114 17.627 -1.143 -0.264 1.00 0.00 N ATOM 877 CA GLU A 114 18.904 -1.009 -0.974 1.00 0.00 C ATOM 878 C GLU A 114 18.802 0.368 -1.659 1.00 0.00 C ATOM 879 O GLU A 114 19.574 1.273 -1.333 1.00 0.00 O ATOM 880 CB GLU A 114 18.905 -2.369 -1.737 1.00 0.00 C ATOM 881 CG GLU A 114 19.520 -2.340 -3.084 1.00 0.00 C ATOM 882 CD GLU A 114 21.017 -2.269 -3.192 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.751 -3.253 -3.107 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.461 -0.987 -3.396 1.00 0.00 O ATOM 0 H GLU A 114 16.901 -0.508 -0.595 1.00 0.00 H new ATOM 0 HA GLU A 114 19.884 -0.936 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.432 -3.106 -1.131 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.875 -2.713 -1.833 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.192 -3.233 -3.616 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.109 -1.482 -3.617 1.00 0.00 H new ATOM 885 N HIS A 115 17.810 0.519 -2.560 1.00 0.00 N ATOM 886 CA HIS A 115 17.336 1.800 -3.085 1.00 0.00 C ATOM 887 C HIS A 115 16.104 2.093 -2.159 1.00 0.00 C ATOM 888 O HIS A 115 15.026 1.507 -2.259 1.00 0.00 O ATOM 889 CB HIS A 115 17.150 1.692 -4.623 1.00 0.00 C ATOM 890 CG HIS A 115 16.118 0.742 -5.178 1.00 0.00 C ATOM 891 ND1 HIS A 115 14.774 0.934 -4.945 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.431 -0.615 -5.206 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.446 -0.360 -4.644 1.00 0.00 C ATOM 894 NE2 HIS A 115 15.325 -1.372 -4.931 1.00 0.00 N ATOM 0 H HIS A 115 17.306 -0.277 -2.950 1.00 0.00 H new ATOM 0 HA HIS A 115 17.998 2.664 -3.038 1.00 0.00 H new ATOM 0 HB2 HIS A 115 16.911 2.688 -4.995 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.114 1.415 -5.051 1.00 0.00 H new ATOM 0 HD1 HIS A 115 14.202 1.777 -4.985 1.00 0.00 H new ATOM 0 HD2 HIS A 115 17.412 -1.015 -5.416 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.496 -0.584 -4.181 1.00 0.00 H new ATOM 895 N LYS A 116 16.311 2.971 -1.183 1.00 0.00 N ATOM 896 CA LYS A 116 15.315 3.278 -0.109 1.00 0.00 C ATOM 897 C LYS A 116 14.962 4.764 0.193 1.00 0.00 C ATOM 898 O LYS A 116 13.880 5.169 0.619 1.00 0.00 O ATOM 899 CB LYS A 116 15.817 2.402 1.046 1.00 0.00 C ATOM 900 CG LYS A 116 16.564 3.161 2.107 1.00 0.00 C ATOM 901 CD LYS A 116 15.614 3.634 3.187 1.00 0.00 C ATOM 902 CE LYS A 116 16.307 4.549 4.180 1.00 0.00 C ATOM 903 NZ LYS A 116 15.582 4.660 5.457 1.00 0.00 N ATOM 0 H LYS A 116 17.176 3.505 -1.096 1.00 0.00 H new ATOM 0 HA LYS A 116 14.296 3.041 -0.414 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.965 1.899 1.504 1.00 0.00 H new ATOM 0 HB3 LYS A 116 16.467 1.625 0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 116 17.334 2.525 2.544 1.00 0.00 H new ATOM 0 HG3 LYS A 116 17.072 4.016 1.661 1.00 0.00 H new ATOM 0 HD2 LYS A 116 14.776 4.160 2.730 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.201 2.773 3.712 1.00 0.00 H new ATOM 0 HE2 LYS A 116 17.313 4.175 4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 116 16.413 5.541 3.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 16.100 5.296 6.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 14.630 5.042 5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 15.503 3.720 5.894 1.00 0.00 H new ATOM 904 N ASN A 117 16.054 5.444 0.020 1.00 0.00 N ATOM 905 CA ASN A 117 16.358 6.848 0.329 1.00 0.00 C ATOM 906 C ASN A 117 16.390 7.750 -0.922 1.00 0.00 C ATOM 907 O ASN A 117 17.063 8.782 -0.980 1.00 0.00 O ATOM 908 CB ASN A 117 17.714 6.594 1.045 1.00 0.00 C ATOM 909 CG ASN A 117 18.477 7.777 1.601 1.00 0.00 C ATOM 910 OD1 ASN A 117 19.410 8.280 0.976 1.00 0.00 O ATOM 911 ND2 ASN A 117 18.114 8.256 2.780 1.00 0.00 N ATOM 0 H ASN A 117 16.868 4.989 -0.392 1.00 0.00 H new ATOM 0 HA ASN A 117 15.635 7.411 0.920 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.528 5.904 1.868 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.368 6.081 0.340 1.00 0.00 H new ATOM 0 HD21 ASN A 117 18.609 9.052 3.182 1.00 0.00 H new ATOM 0 HD22 ASN A 117 17.339 7.829 3.287 1.00 0.00 H new ATOM 912 N LEU A 118 15.568 7.311 -1.884 1.00 0.00 N ATOM 913 CA LEU A 118 15.446 7.915 -3.215 1.00 0.00 C ATOM 914 C LEU A 118 14.674 9.265 -3.187 1.00 0.00 C ATOM 915 O LEU A 118 14.483 9.919 -2.156 1.00 0.00 O ATOM 916 CB LEU A 118 14.966 6.872 -4.239 1.00 0.00 C ATOM 917 CG LEU A 118 16.017 5.876 -4.675 1.00 0.00 C ATOM 918 CD1 LEU A 118 16.349 4.828 -3.684 1.00 0.00 C ATOM 919 CD2 LEU A 118 15.699 5.013 -5.891 1.00 0.00 C ATOM 0 H LEU A 118 14.955 6.506 -1.754 1.00 0.00 H new ATOM 0 HA LEU A 118 16.432 8.217 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 118 14.124 6.326 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 118 14.594 7.394 -5.120 1.00 0.00 H new ATOM 0 HG LEU A 118 16.813 6.597 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 118 17.112 4.167 -4.095 1.00 0.00 H new ATOM 0 HD12 LEU A 118 16.726 5.294 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 118 15.454 4.250 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 118 16.537 4.345 -6.092 1.00 0.00 H new ATOM 0 HD22 LEU A 118 14.804 4.423 -5.694 1.00 0.00 H new ATOM 0 HD23 LEU A 118 15.529 5.653 -6.757 1.00 0.00 H new ATOM 920 N ASP A 119 14.360 9.716 -4.399 1.00 0.00 N ATOM 921 CA ASP A 119 14.285 11.145 -4.730 1.00 0.00 C ATOM 922 C ASP A 119 13.425 11.497 -5.946 1.00 0.00 C ATOM 923 O ASP A 119 12.669 12.473 -5.915 1.00 0.00 O ATOM 924 CB ASP A 119 15.743 11.589 -4.929 1.00 0.00 C ATOM 925 CG ASP A 119 16.001 13.062 -4.669 1.00 0.00 C ATOM 926 OD1 ASP A 119 15.459 13.973 -5.296 1.00 0.00 O ATOM 927 OD2 ASP A 119 16.904 13.256 -3.656 1.00 0.00 O ATOM 0 H ASP A 119 14.149 9.102 -5.185 1.00 0.00 H new ATOM 0 HA ASP A 119 13.778 11.671 -3.921 1.00 0.00 H new ATOM 0 HB2 ASP A 119 16.380 11.001 -4.269 1.00 0.00 H new ATOM 0 HB3 ASP A 119 16.042 11.357 -5.951 1.00 0.00 H new ATOM 928 N THR A 120 13.533 10.664 -6.974 1.00 0.00 N ATOM 929 CA THR A 120 12.604 10.617 -8.112 1.00 0.00 C ATOM 930 C THR A 120 13.152 11.550 -9.192 1.00 0.00 C ATOM 931 O THR A 120 12.503 12.521 -9.591 1.00 0.00 O ATOM 932 CB THR A 120 11.090 10.557 -7.735 1.00 0.00 C ATOM 933 OG1 THR A 120 10.490 11.836 -7.570 1.00 0.00 O ATOM 934 CG2 THR A 120 10.870 9.705 -6.454 1.00 0.00 C ATOM 0 H THR A 120 14.287 9.981 -7.047 1.00 0.00 H new ATOM 0 HA THR A 120 12.570 9.647 -8.609 1.00 0.00 H new ATOM 0 HB THR A 120 10.596 10.084 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 120 11.047 12.385 -6.980 1.00 0.00 H new ATOM 0 HG21 THR A 120 9.807 9.679 -6.212 1.00 0.00 H new ATOM 0 HG22 THR A 120 11.228 8.690 -6.626 1.00 0.00 H new ATOM 0 HG23 THR A 120 11.420 10.148 -5.624 1.00 0.00 H new ATOM 935 N LYS A 121 14.393 11.227 -9.652 1.00 0.00 N ATOM 936 CA LYS A 121 15.171 12.133 -10.554 1.00 0.00 C ATOM 937 C LYS A 121 16.117 11.216 -11.393 1.00 0.00 C ATOM 938 O LYS A 121 15.895 10.950 -12.575 1.00 0.00 O ATOM 939 CB LYS A 121 15.866 13.235 -9.695 1.00 0.00 C ATOM 940 CG LYS A 121 16.471 12.749 -8.360 1.00 0.00 C ATOM 941 CD LYS A 121 17.679 13.532 -7.849 1.00 0.00 C ATOM 942 CE LYS A 121 18.555 12.645 -6.945 1.00 0.00 C ATOM 943 NZ LYS A 121 19.658 13.401 -6.327 1.00 0.00 N ATOM 0 H LYS A 121 14.874 10.358 -9.418 1.00 0.00 H new ATOM 0 HA LYS A 121 14.560 12.692 -11.263 1.00 0.00 H new ATOM 0 HB2 LYS A 121 16.658 13.690 -10.290 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.139 14.018 -9.481 1.00 0.00 H new ATOM 0 HG2 LYS A 121 15.693 12.782 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 121 16.762 11.705 -8.474 1.00 0.00 H new ATOM 0 HD2 LYS A 121 18.267 13.895 -8.692 1.00 0.00 H new ATOM 0 HD3 LYS A 121 17.343 14.408 -7.294 1.00 0.00 H new ATOM 0 HE2 LYS A 121 17.937 12.203 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 121 18.964 11.823 -7.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 20.222 12.765 -5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 20.264 13.802 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 19.269 14.170 -5.746 1.00 0.00 H new ATOM 944 N LYS A 122 17.084 10.672 -10.665 1.00 0.00 N ATOM 945 CA LYS A 122 17.815 9.438 -10.926 1.00 0.00 C ATOM 946 C LYS A 122 16.854 8.159 -10.970 1.00 0.00 C ATOM 947 O LYS A 122 16.793 7.389 -11.927 1.00 0.00 O ATOM 948 CB LYS A 122 18.608 9.378 -9.543 1.00 0.00 C ATOM 949 CG LYS A 122 19.946 10.005 -9.557 1.00 0.00 C ATOM 950 CD LYS A 122 20.805 9.887 -8.305 1.00 0.00 C ATOM 951 CE LYS A 122 21.739 11.098 -8.302 1.00 0.00 C ATOM 952 NZ LYS A 122 22.754 11.061 -7.236 1.00 0.00 N ATOM 0 H LYS A 122 17.404 11.119 -9.806 1.00 0.00 H new ATOM 0 HA LYS A 122 18.372 9.429 -11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 122 18.005 9.863 -8.776 1.00 0.00 H new ATOM 0 HB3 LYS A 122 18.717 8.334 -9.250 1.00 0.00 H new ATOM 0 HG2 LYS A 122 20.507 9.577 -10.388 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.815 11.065 -9.773 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.185 9.874 -7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.375 8.958 -8.312 1.00 0.00 H new ATOM 0 HE2 LYS A 122 22.241 11.161 -9.267 1.00 0.00 H new ATOM 0 HE3 LYS A 122 21.144 12.004 -8.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 23.350 11.911 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 22.283 11.032 -6.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 23.347 10.214 -7.350 1.00 0.00 H new ATOM 953 N TYR A 123 16.123 8.095 -9.869 1.00 0.00 N ATOM 954 CA TYR A 123 15.180 7.106 -9.357 1.00 0.00 C ATOM 955 C TYR A 123 13.805 7.124 -9.992 1.00 0.00 C ATOM 956 O TYR A 123 13.238 6.038 -10.140 1.00 0.00 O ATOM 957 CB TYR A 123 15.349 7.697 -7.908 1.00 0.00 C ATOM 958 CG TYR A 123 16.783 7.518 -7.253 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.734 6.575 -7.703 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.186 8.455 -6.328 1.00 0.00 C ATOM 961 CE1 TYR A 123 19.044 6.632 -7.257 1.00 0.00 C ATOM 962 CE2 TYR A 123 18.496 8.495 -5.879 1.00 0.00 C ATOM 963 CZ TYR A 123 19.431 7.569 -6.318 1.00 0.00 C ATOM 964 OH TYR A 123 20.741 7.681 -5.951 1.00 0.00 O ATOM 0 H TYR A 123 16.190 8.865 -9.204 1.00 0.00 H new ATOM 0 HA TYR A 123 15.335 6.038 -9.508 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.115 8.761 -7.940 1.00 0.00 H new ATOM 0 HB3 TYR A 123 14.612 7.228 -7.256 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.437 5.805 -8.399 1.00 0.00 H new ATOM 0 HD2 TYR A 123 16.471 9.169 -5.947 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.772 5.936 -7.648 1.00 0.00 H new ATOM 0 HE2 TYR A 123 18.794 9.259 -5.176 1.00 0.00 H new ATOM 0 HH TYR A 123 20.834 8.391 -5.282 1.00 0.00 H new ATOM 965 N CYS A 124 13.277 8.298 -10.410 1.00 0.00 N ATOM 966 CA CYS A 124 11.965 8.425 -11.079 1.00 0.00 C ATOM 967 C CYS A 124 11.755 9.835 -11.639 1.00 0.00 C ATOM 968 O CYS A 124 12.430 10.291 -12.563 1.00 0.00 O ATOM 969 CB CYS A 124 10.825 7.739 -10.337 1.00 0.00 C ATOM 970 SG CYS A 124 10.454 6.159 -11.083 1.00 0.00 S ATOM 971 OXT CYS A 124 10.757 10.536 -11.014 1.00 0.00 O ATOM 0 H CYS A 124 13.756 9.191 -10.290 1.00 0.00 H new ATOM 0 HA CYS A 124 11.962 7.819 -11.985 1.00 0.00 H new ATOM 0 HB2 CYS A 124 11.097 7.599 -9.291 1.00 0.00 H new ATOM 0 HB3 CYS A 124 9.939 8.373 -10.354 1.00 0.00 H new