USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 759 hydrogens (29 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 72 HIS : no HD1:sc= -0.0666 K(o=0.31,f=-0.55) USER MOD Set 1.2: A 91 SER OG : rot 180:sc= 0.375 USER MOD Set 2.1: A 73 MET CE :methyl -143:sc= -0.0196 (180deg=-0.407) USER MOD Set 2.2: A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 25 ASN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 26 GLN : amide:sc= 0.669 K(o=0.67,f=-1.2) USER MOD Single : A 30 LYS NZ :NH3+ 173:sc= 0.952 (180deg=0.903) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS : no HD1:sc= 0.437 K(o=0.44,f=-3.4!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 171:sc= -0.0305 (180deg=-0.176) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0775 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -117:sc= -0.0687 (180deg=-0.0945) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0095) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 59 TYR OH : rot 8:sc= 1.25 USER MOD Single : A 61 MET CE :methyl 177:sc= -2.48 (180deg=-2.56) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 69 GLN : amide:sc= 0.514 K(o=0.51,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.891 K(o=0.89,f=-0.32) USER MOD Single : A 76 CYS SG : rot 180:sc=-0.00997 USER MOD Single : A 88 GLN : amide:sc= -0.0872 X(o=-0.087,f=-0.26) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 MET CE :methyl -174:sc=-0.00517 (180deg=-0.0395) USER MOD Single : A 104 LYS NZ :NH3+ -160:sc= 1.2 (180deg=0.882) USER MOD Single : A 105 ASN : amide:sc= 1.1 K(o=1.1,f=-0.74) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.00211 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 2.646 12.158 11.092 1.00 0.00 N ATOM 2 CA GLN A 23 4.018 12.650 10.929 1.00 0.00 C ATOM 3 C GLN A 23 4.828 11.796 9.929 1.00 0.00 C ATOM 4 O GLN A 23 4.358 10.768 9.428 1.00 0.00 O ATOM 5 CB GLN A 23 4.724 12.722 12.300 1.00 0.00 C ATOM 6 CG GLN A 23 4.012 13.652 13.302 1.00 0.00 C ATOM 7 CD GLN A 23 4.730 13.771 14.651 1.00 0.00 C ATOM 8 OE1 GLN A 23 5.779 13.191 14.909 1.00 0.00 O ATOM 9 NE2 GLN A 23 4.188 14.535 15.578 1.00 0.00 N ATOM 0 HA GLN A 23 3.963 13.654 10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.783 11.720 12.724 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.747 13.069 12.157 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.920 14.644 12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.000 13.283 13.470 1.00 0.00 H new ATOM 0 HE21 GLN A 23 3.316 15.028 15.387 1.00 0.00 H new ATOM 0 HE22 GLN A 23 4.641 14.634 16.487 1.00 0.00 H new ATOM 18 N ILE A 24 6.063 12.222 9.640 1.00 0.00 N ATOM 19 CA ILE A 24 6.997 11.549 8.721 1.00 0.00 C ATOM 20 C ILE A 24 7.271 10.112 9.202 1.00 0.00 C ATOM 21 O ILE A 24 7.786 9.893 10.302 1.00 0.00 O ATOM 22 CB ILE A 24 8.301 12.374 8.600 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.032 13.776 7.996 1.00 0.00 C ATOM 24 CG2 ILE A 24 9.364 11.657 7.744 1.00 0.00 C ATOM 25 CD1 ILE A 24 9.020 14.822 8.523 1.00 0.00 C ATOM 0 H ILE A 24 6.455 13.070 10.050 1.00 0.00 H new ATOM 0 HA ILE A 24 6.550 11.483 7.729 1.00 0.00 H new ATOM 0 HB ILE A 24 8.683 12.484 9.615 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.103 13.723 6.910 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.014 14.085 8.234 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.261 12.273 7.687 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.611 10.698 8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.972 11.493 6.740 1.00 0.00 H new ATOM 0 HD11 ILE A 24 8.797 15.791 8.075 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.930 14.894 9.607 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.036 14.527 8.262 1.00 0.00 H new ATOM 37 N ASN A 25 6.921 9.136 8.357 1.00 0.00 N ATOM 38 CA ASN A 25 7.253 7.715 8.523 1.00 0.00 C ATOM 39 C ASN A 25 8.575 7.391 7.780 1.00 0.00 C ATOM 40 O ASN A 25 9.365 8.294 7.504 1.00 0.00 O ATOM 41 CB ASN A 25 6.012 6.881 8.124 1.00 0.00 C ATOM 42 CG ASN A 25 5.016 6.737 9.269 1.00 0.00 C ATOM 43 OD1 ASN A 25 4.849 5.665 9.836 1.00 0.00 O ATOM 44 ND2 ASN A 25 4.327 7.785 9.664 1.00 0.00 N ATOM 0 H ASN A 25 6.381 9.319 7.511 1.00 0.00 H new ATOM 0 HA ASN A 25 7.467 7.448 9.558 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.519 7.353 7.274 1.00 0.00 H new ATOM 0 HB3 ASN A 25 6.332 5.891 7.798 1.00 0.00 H new ATOM 0 HD21 ASN A 25 3.663 7.699 10.434 1.00 0.00 H new ATOM 0 HD22 ASN A 25 4.456 8.684 9.201 1.00 0.00 H new ATOM 51 N GLN A 26 8.862 6.124 7.465 1.00 0.00 N ATOM 52 CA GLN A 26 10.167 5.693 6.973 1.00 0.00 C ATOM 53 C GLN A 26 10.487 6.229 5.571 1.00 0.00 C ATOM 54 O GLN A 26 9.666 6.226 4.651 1.00 0.00 O ATOM 55 CB GLN A 26 10.256 4.157 7.048 1.00 0.00 C ATOM 56 CG GLN A 26 9.354 3.415 6.034 1.00 0.00 C ATOM 57 CD GLN A 26 9.995 3.142 4.666 1.00 0.00 C ATOM 58 OE1 GLN A 26 11.188 3.300 4.436 1.00 0.00 O ATOM 59 NE2 GLN A 26 9.220 2.689 3.704 1.00 0.00 N ATOM 0 H GLN A 26 8.186 5.364 7.546 1.00 0.00 H new ATOM 0 HA GLN A 26 10.933 6.124 7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.291 3.857 6.883 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.988 3.838 8.055 1.00 0.00 H new ATOM 0 HG2 GLN A 26 9.050 2.464 6.471 1.00 0.00 H new ATOM 0 HG3 GLN A 26 8.447 4.001 5.882 1.00 0.00 H new ATOM 0 HE21 GLN A 26 8.224 2.550 3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.615 2.477 2.788 1.00 0.00 H new ATOM 68 N VAL A 27 11.721 6.705 5.457 1.00 0.00 N ATOM 69 CA VAL A 27 12.334 7.285 4.246 1.00 0.00 C ATOM 70 C VAL A 27 13.865 7.366 4.332 1.00 0.00 C ATOM 71 O VAL A 27 14.414 7.630 5.403 1.00 0.00 O ATOM 72 CB VAL A 27 11.759 8.698 3.959 1.00 0.00 C ATOM 73 CG1 VAL A 27 11.762 9.605 5.199 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.537 9.429 2.847 1.00 0.00 C ATOM 0 H VAL A 27 12.366 6.701 6.247 1.00 0.00 H new ATOM 0 HA VAL A 27 12.084 6.610 3.427 1.00 0.00 H new ATOM 0 HB VAL A 27 10.732 8.517 3.642 1.00 0.00 H new ATOM 0 HG11 VAL A 27 11.349 10.579 4.938 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.155 9.152 5.983 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.784 9.728 5.557 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.098 10.413 2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.579 9.542 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.485 8.849 1.925 1.00 0.00 H new ATOM 84 N ARG A 28 14.542 7.218 3.179 1.00 0.00 N ATOM 85 CA ARG A 28 15.974 7.519 2.995 1.00 0.00 C ATOM 86 C ARG A 28 16.318 7.640 1.486 1.00 0.00 C ATOM 87 O ARG A 28 16.184 6.642 0.775 1.00 0.00 O ATOM 88 CB ARG A 28 16.799 6.384 3.656 1.00 0.00 C ATOM 89 CG ARG A 28 18.327 6.535 3.575 1.00 0.00 C ATOM 90 CD ARG A 28 18.848 7.837 4.194 1.00 0.00 C ATOM 91 NE ARG A 28 18.442 7.993 5.610 1.00 0.00 N ATOM 92 CZ ARG A 28 19.035 7.487 6.679 1.00 0.00 C ATOM 93 NH1 ARG A 28 20.117 6.763 6.603 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.543 7.700 7.866 1.00 0.00 N ATOM 0 H ARG A 28 14.097 6.877 2.327 1.00 0.00 H new ATOM 0 HA ARG A 28 16.216 8.473 3.463 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.514 6.317 4.706 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.521 5.439 3.190 1.00 0.00 H new ATOM 0 HG2 ARG A 28 18.795 5.690 4.080 1.00 0.00 H new ATOM 0 HG3 ARG A 28 18.633 6.491 2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.936 7.858 4.127 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.477 8.684 3.617 1.00 0.00 H new ATOM 0 HE ARG A 28 17.609 8.556 5.781 1.00 0.00 H new ATOM 0 HH11 ARG A 28 20.537 6.568 5.694 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.543 6.392 7.452 1.00 0.00 H new ATOM 0 HH21 ARG A 28 17.697 8.259 7.975 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.004 7.308 8.687 1.00 0.00 H new ATOM 108 N PRO A 29 16.727 8.817 0.972 1.00 0.00 N ATOM 109 CA PRO A 29 17.022 9.050 -0.446 1.00 0.00 C ATOM 110 C PRO A 29 18.528 9.057 -0.778 1.00 0.00 C ATOM 111 O PRO A 29 19.396 8.975 0.094 1.00 0.00 O ATOM 112 CB PRO A 29 16.376 10.409 -0.741 1.00 0.00 C ATOM 113 CG PRO A 29 16.729 11.171 0.529 1.00 0.00 C ATOM 114 CD PRO A 29 16.569 10.109 1.620 1.00 0.00 C ATOM 0 HA PRO A 29 16.631 8.241 -1.063 1.00 0.00 H new ATOM 0 HB2 PRO A 29 16.789 10.879 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 29 15.299 10.331 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.745 11.565 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 29 16.063 12.019 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.315 10.243 2.403 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.591 10.187 2.095 1.00 0.00 H new ATOM 122 N LYS A 30 18.812 9.211 -2.075 1.00 0.00 N ATOM 123 CA LYS A 30 20.122 9.417 -2.707 1.00 0.00 C ATOM 124 C LYS A 30 20.305 10.901 -3.050 1.00 0.00 C ATOM 125 O LYS A 30 19.340 11.585 -3.392 1.00 0.00 O ATOM 126 CB LYS A 30 20.191 8.474 -3.925 1.00 0.00 C ATOM 127 CG LYS A 30 21.591 8.353 -4.542 1.00 0.00 C ATOM 128 CD LYS A 30 21.797 7.084 -5.380 1.00 0.00 C ATOM 129 CE LYS A 30 21.987 5.864 -4.464 1.00 0.00 C ATOM 130 NZ LYS A 30 22.128 4.605 -5.245 1.00 0.00 N ATOM 0 H LYS A 30 18.067 9.193 -2.771 1.00 0.00 H new ATOM 0 HA LYS A 30 20.951 9.172 -2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.851 7.483 -3.624 1.00 0.00 H new ATOM 0 HB3 LYS A 30 19.499 8.831 -4.688 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.777 9.225 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 30 22.332 8.372 -3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.938 6.927 -6.032 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.668 7.203 -6.024 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.872 6.009 -3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 30 21.135 5.780 -3.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 22.372 3.824 -4.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 21.230 4.392 -5.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.881 4.719 -5.954 1.00 0.00 H new ATOM 144 N LEU A 31 21.538 11.400 -2.994 1.00 0.00 N ATOM 145 CA LEU A 31 21.859 12.841 -3.072 1.00 0.00 C ATOM 146 C LEU A 31 21.310 13.574 -4.318 1.00 0.00 C ATOM 147 O LEU A 31 20.585 14.555 -4.144 1.00 0.00 O ATOM 148 CB LEU A 31 23.379 13.006 -2.844 1.00 0.00 C ATOM 149 CG LEU A 31 23.955 14.433 -2.729 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.080 15.173 -4.064 1.00 0.00 C ATOM 151 CD2 LEU A 31 23.177 15.315 -1.752 1.00 0.00 C ATOM 0 H LEU A 31 22.364 10.811 -2.891 1.00 0.00 H new ATOM 0 HA LEU A 31 21.320 13.358 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.638 12.469 -1.931 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.894 12.506 -3.664 1.00 0.00 H new ATOM 0 HG LEU A 31 24.960 14.263 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.493 16.167 -3.892 1.00 0.00 H new ATOM 0 HD12 LEU A 31 24.741 14.616 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 31 23.096 15.263 -4.523 1.00 0.00 H new ATOM 0 HD21 LEU A 31 23.631 16.305 -1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.143 15.402 -2.085 1.00 0.00 H new ATOM 0 HD23 LEU A 31 23.202 14.867 -0.758 1.00 0.00 H new ATOM 163 N PRO A 32 21.550 13.122 -5.565 1.00 0.00 N ATOM 164 CA PRO A 32 21.002 13.773 -6.761 1.00 0.00 C ATOM 165 C PRO A 32 19.470 13.693 -6.905 1.00 0.00 C ATOM 166 O PRO A 32 18.925 14.383 -7.763 1.00 0.00 O ATOM 167 CB PRO A 32 21.728 13.124 -7.945 1.00 0.00 C ATOM 168 CG PRO A 32 22.129 11.751 -7.409 1.00 0.00 C ATOM 169 CD PRO A 32 22.483 12.078 -5.965 1.00 0.00 C ATOM 0 HA PRO A 32 21.174 14.848 -6.701 1.00 0.00 H new ATOM 0 HB2 PRO A 32 21.079 13.041 -8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 32 22.598 13.706 -8.250 1.00 0.00 H new ATOM 0 HG2 PRO A 32 21.314 11.030 -7.478 1.00 0.00 H new ATOM 0 HG3 PRO A 32 22.974 11.330 -7.953 1.00 0.00 H new ATOM 0 HD2 PRO A 32 22.386 11.199 -5.328 1.00 0.00 H new ATOM 0 HD3 PRO A 32 23.515 12.420 -5.881 1.00 0.00 H new ATOM 177 N LEU A 33 18.764 12.912 -6.071 1.00 0.00 N ATOM 178 CA LEU A 33 17.294 12.880 -6.004 1.00 0.00 C ATOM 179 C LEU A 33 16.793 13.796 -4.879 1.00 0.00 C ATOM 180 O LEU A 33 15.913 14.618 -5.121 1.00 0.00 O ATOM 181 CB LEU A 33 16.831 11.410 -5.916 1.00 0.00 C ATOM 182 CG LEU A 33 15.318 11.119 -6.034 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.555 11.386 -4.738 1.00 0.00 C ATOM 184 CD2 LEU A 33 14.637 11.882 -7.171 1.00 0.00 C ATOM 0 H LEU A 33 19.208 12.273 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 33 16.841 13.286 -6.909 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.341 10.851 -6.701 1.00 0.00 H new ATOM 0 HB3 LEU A 33 17.175 11.008 -4.963 1.00 0.00 H new ATOM 0 HG LEU A 33 15.276 10.053 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.498 11.163 -4.885 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.952 10.753 -3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.669 12.433 -4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 33 13.577 11.630 -7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 33 14.751 12.954 -7.009 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.097 11.607 -8.120 1.00 0.00 H new ATOM 196 N LEU A 34 17.410 13.746 -3.690 1.00 0.00 N ATOM 197 CA LEU A 34 17.210 14.723 -2.600 1.00 0.00 C ATOM 198 C LEU A 34 17.313 16.155 -3.153 1.00 0.00 C ATOM 199 O LEU A 34 16.471 16.994 -2.848 1.00 0.00 O ATOM 200 CB LEU A 34 18.293 14.458 -1.543 1.00 0.00 C ATOM 201 CG LEU A 34 18.414 15.395 -0.316 1.00 0.00 C ATOM 202 CD1 LEU A 34 19.674 14.889 0.408 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.747 16.862 -0.597 1.00 0.00 C ATOM 0 H LEU A 34 18.076 13.012 -3.450 1.00 0.00 H new ATOM 0 HA LEU A 34 16.221 14.617 -2.154 1.00 0.00 H new ATOM 0 HB2 LEU A 34 18.140 13.447 -1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 34 19.256 14.465 -2.054 1.00 0.00 H new ATOM 0 HG LEU A 34 17.450 15.370 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 34 19.849 15.492 1.299 1.00 0.00 H new ATOM 0 HD12 LEU A 34 19.534 13.847 0.697 1.00 0.00 H new ATOM 0 HD13 LEU A 34 20.533 14.969 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.803 17.409 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.706 16.925 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 34 17.969 17.298 -1.224 1.00 0.00 H new ATOM 215 N LYS A 35 18.297 16.432 -4.020 1.00 0.00 N ATOM 216 CA LYS A 35 18.468 17.753 -4.651 1.00 0.00 C ATOM 217 C LYS A 35 17.283 18.182 -5.523 1.00 0.00 C ATOM 218 O LYS A 35 16.942 19.362 -5.507 1.00 0.00 O ATOM 219 CB LYS A 35 19.805 17.810 -5.419 1.00 0.00 C ATOM 220 CG LYS A 35 20.933 18.375 -4.539 1.00 0.00 C ATOM 221 CD LYS A 35 20.815 19.907 -4.389 1.00 0.00 C ATOM 222 CE LYS A 35 21.700 20.484 -3.275 1.00 0.00 C ATOM 223 NZ LYS A 35 23.154 20.414 -3.597 1.00 0.00 N ATOM 0 H LYS A 35 18.998 15.748 -4.305 1.00 0.00 H new ATOM 0 HA LYS A 35 18.497 18.485 -3.844 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.073 16.810 -5.760 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.690 18.430 -6.308 1.00 0.00 H new ATOM 0 HG2 LYS A 35 20.898 17.908 -3.555 1.00 0.00 H new ATOM 0 HG3 LYS A 35 21.899 18.124 -4.977 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.082 20.378 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 35 19.776 20.165 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 35 21.422 21.523 -3.098 1.00 0.00 H new ATOM 0 HE3 LYS A 35 21.511 19.941 -2.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 23.703 20.817 -2.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 23.431 19.422 -3.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.344 20.955 -4.465 1.00 0.00 H new ATOM 237 N ILE A 36 16.592 17.252 -6.193 1.00 0.00 N ATOM 238 CA ILE A 36 15.313 17.545 -6.871 1.00 0.00 C ATOM 239 C ILE A 36 14.264 17.942 -5.830 1.00 0.00 C ATOM 240 O ILE A 36 13.521 18.899 -6.029 1.00 0.00 O ATOM 241 CB ILE A 36 14.795 16.355 -7.705 1.00 0.00 C ATOM 242 CG1 ILE A 36 15.869 15.747 -8.621 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.587 16.785 -8.554 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.672 16.735 -9.471 1.00 0.00 C ATOM 0 H ILE A 36 16.896 16.282 -6.283 1.00 0.00 H new ATOM 0 HA ILE A 36 15.493 18.367 -7.564 1.00 0.00 H new ATOM 0 HB ILE A 36 14.502 15.585 -6.991 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.566 15.182 -8.003 1.00 0.00 H new ATOM 0 HG13 ILE A 36 15.386 15.034 -9.289 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.232 15.936 -9.137 1.00 0.00 H new ATOM 0 HG22 ILE A 36 12.789 17.135 -7.900 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.883 17.589 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.398 16.190 -10.074 1.00 0.00 H new ATOM 0 HD12 ILE A 36 15.996 17.285 -10.126 1.00 0.00 H new ATOM 0 HD13 ILE A 36 17.195 17.435 -8.819 1.00 0.00 H new ATOM 256 N LEU A 37 14.251 17.247 -4.688 1.00 0.00 N ATOM 257 CA LEU A 37 13.313 17.488 -3.594 1.00 0.00 C ATOM 258 C LEU A 37 13.501 18.876 -2.965 1.00 0.00 C ATOM 259 O LEU A 37 12.543 19.644 -2.889 1.00 0.00 O ATOM 260 CB LEU A 37 13.270 16.285 -2.630 1.00 0.00 C ATOM 261 CG LEU A 37 12.870 14.977 -3.355 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.963 13.775 -2.431 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.445 15.002 -3.897 1.00 0.00 C ATOM 0 H LEU A 37 14.905 16.488 -4.498 1.00 0.00 H new ATOM 0 HA LEU A 37 12.298 17.545 -3.988 1.00 0.00 H new ATOM 0 HB2 LEU A 37 14.248 16.158 -2.165 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.560 16.487 -1.829 1.00 0.00 H new ATOM 0 HG LEU A 37 13.575 14.897 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 37 12.675 12.875 -2.974 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.987 13.670 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.294 13.916 -1.582 1.00 0.00 H new ATOM 0 HD21 LEU A 37 11.228 14.056 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.745 15.149 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.342 15.819 -4.611 1.00 0.00 H new ATOM 275 N HIS A 38 14.735 19.269 -2.637 1.00 0.00 N ATOM 276 CA HIS A 38 15.043 20.642 -2.198 1.00 0.00 C ATOM 277 C HIS A 38 14.672 21.682 -3.272 1.00 0.00 C ATOM 278 O HIS A 38 14.026 22.680 -2.955 1.00 0.00 O ATOM 279 CB HIS A 38 16.546 20.792 -1.911 1.00 0.00 C ATOM 280 CG HIS A 38 16.996 20.289 -0.566 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.156 20.706 0.096 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.372 19.340 0.185 1.00 0.00 C ATOM 283 CE1 HIS A 38 18.212 19.984 1.227 1.00 0.00 C ATOM 284 NE2 HIS A 38 17.156 19.156 1.297 1.00 0.00 N ATOM 0 H HIS A 38 15.547 18.652 -2.666 1.00 0.00 H new ATOM 0 HA HIS A 38 14.455 20.819 -1.297 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.102 20.261 -2.684 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.812 21.846 -1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.447 18.834 -0.047 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.991 20.058 1.971 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.968 18.498 2.053 1.00 0.00 H new ATOM 292 N ALA A 39 15.045 21.457 -4.542 1.00 0.00 N ATOM 293 CA ALA A 39 14.812 22.409 -5.635 1.00 0.00 C ATOM 294 C ALA A 39 13.314 22.601 -5.952 1.00 0.00 C ATOM 295 O ALA A 39 12.891 23.699 -6.321 1.00 0.00 O ATOM 296 CB ALA A 39 15.595 21.934 -6.865 1.00 0.00 C ATOM 0 H ALA A 39 15.519 20.604 -4.839 1.00 0.00 H new ATOM 0 HA ALA A 39 15.167 23.392 -5.325 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.435 22.629 -7.689 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.658 21.893 -6.626 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.250 20.942 -7.155 1.00 0.00 H new ATOM 302 N ALA A 40 12.501 21.562 -5.736 1.00 0.00 N ATOM 303 CA ALA A 40 11.037 21.630 -5.783 1.00 0.00 C ATOM 304 C ALA A 40 10.395 22.433 -4.627 1.00 0.00 C ATOM 305 O ALA A 40 9.200 22.734 -4.683 1.00 0.00 O ATOM 306 CB ALA A 40 10.499 20.199 -5.787 1.00 0.00 C ATOM 0 H ALA A 40 12.851 20.629 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 40 10.767 22.171 -6.690 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.410 20.220 -5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.880 19.670 -6.660 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.823 19.686 -4.882 1.00 0.00 H new ATOM 312 N GLY A 41 11.166 22.771 -3.585 1.00 0.00 N ATOM 313 CA GLY A 41 10.740 23.572 -2.430 1.00 0.00 C ATOM 314 C GLY A 41 10.993 22.931 -1.056 1.00 0.00 C ATOM 315 O GLY A 41 10.666 23.554 -0.042 1.00 0.00 O ATOM 0 H GLY A 41 12.142 22.482 -3.521 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.255 24.532 -2.465 1.00 0.00 H new ATOM 0 HA3 GLY A 41 9.674 23.778 -2.525 1.00 0.00 H new ATOM 319 N ALA A 42 11.551 21.714 -0.991 1.00 0.00 N ATOM 320 CA ALA A 42 11.816 21.019 0.271 1.00 0.00 C ATOM 321 C ALA A 42 13.098 21.499 0.998 1.00 0.00 C ATOM 322 O ALA A 42 13.730 22.504 0.663 1.00 0.00 O ATOM 323 CB ALA A 42 11.792 19.495 0.040 1.00 0.00 C ATOM 0 H ALA A 42 11.831 21.184 -1.816 1.00 0.00 H new ATOM 0 HA ALA A 42 11.013 21.279 0.961 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.990 18.981 0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.813 19.199 -0.336 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.557 19.225 -0.688 1.00 0.00 H new ATOM 329 N GLN A 43 13.442 20.735 2.030 1.00 0.00 N ATOM 330 CA GLN A 43 14.500 20.910 3.032 1.00 0.00 C ATOM 331 C GLN A 43 14.635 19.586 3.819 1.00 0.00 C ATOM 332 O GLN A 43 13.635 18.898 4.046 1.00 0.00 O ATOM 333 CB GLN A 43 14.136 22.079 3.971 1.00 0.00 C ATOM 334 CG GLN A 43 15.258 22.436 4.960 1.00 0.00 C ATOM 335 CD GLN A 43 14.930 23.697 5.760 1.00 0.00 C ATOM 336 OE1 GLN A 43 15.387 24.795 5.462 1.00 0.00 O ATOM 337 NE2 GLN A 43 14.123 23.603 6.798 1.00 0.00 N ATOM 0 H GLN A 43 12.926 19.874 2.209 1.00 0.00 H new ATOM 0 HA GLN A 43 15.451 21.148 2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.897 22.957 3.371 1.00 0.00 H new ATOM 0 HB3 GLN A 43 13.237 21.820 4.530 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.418 21.603 5.644 1.00 0.00 H new ATOM 0 HG3 GLN A 43 16.190 22.584 4.414 1.00 0.00 H new ATOM 0 HE21 GLN A 43 13.733 22.698 7.061 1.00 0.00 H new ATOM 0 HE22 GLN A 43 13.888 24.436 7.338 1.00 0.00 H new ATOM 346 N GLY A 44 15.853 19.216 4.232 1.00 0.00 N ATOM 347 CA GLY A 44 16.161 17.891 4.783 1.00 0.00 C ATOM 348 C GLY A 44 16.102 16.803 3.704 1.00 0.00 C ATOM 349 O GLY A 44 15.782 17.072 2.550 1.00 0.00 O ATOM 0 H GLY A 44 16.662 19.836 4.192 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.154 17.905 5.232 1.00 0.00 H new ATOM 0 HA3 GLY A 44 15.455 17.654 5.578 1.00 0.00 H new ATOM 353 N GLU A 45 16.435 15.567 4.055 1.00 0.00 N ATOM 354 CA GLU A 45 16.348 14.400 3.171 1.00 0.00 C ATOM 355 C GLU A 45 15.292 13.382 3.615 1.00 0.00 C ATOM 356 O GLU A 45 15.381 12.208 3.275 1.00 0.00 O ATOM 357 CB GLU A 45 17.751 13.829 2.945 1.00 0.00 C ATOM 358 CG GLU A 45 18.326 13.040 4.129 1.00 0.00 C ATOM 359 CD GLU A 45 19.829 12.766 3.929 1.00 0.00 C ATOM 360 OE1 GLU A 45 20.190 11.739 3.304 1.00 0.00 O ATOM 361 OE2 GLU A 45 20.665 13.569 4.414 1.00 0.00 O ATOM 0 H GLU A 45 16.783 15.337 4.986 1.00 0.00 H new ATOM 0 HA GLU A 45 15.974 14.716 2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.726 13.178 2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.428 14.650 2.711 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.174 13.599 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.791 12.096 4.236 1.00 0.00 H new ATOM 368 N MET A 46 14.291 13.807 4.391 1.00 0.00 N ATOM 369 CA MET A 46 13.282 12.883 4.938 1.00 0.00 C ATOM 370 C MET A 46 11.845 13.345 4.623 1.00 0.00 C ATOM 371 O MET A 46 11.316 14.278 5.230 1.00 0.00 O ATOM 372 CB MET A 46 13.487 12.693 6.448 1.00 0.00 C ATOM 373 CG MET A 46 14.799 11.957 6.757 1.00 0.00 C ATOM 374 SD MET A 46 14.932 11.318 8.450 1.00 0.00 S ATOM 375 CE MET A 46 13.740 9.947 8.372 1.00 0.00 C ATOM 0 H MET A 46 14.154 14.782 4.657 1.00 0.00 H new ATOM 0 HA MET A 46 13.418 11.919 4.448 1.00 0.00 H new ATOM 0 HB2 MET A 46 13.491 13.666 6.939 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.649 12.131 6.861 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.906 11.125 6.060 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.632 12.636 6.573 1.00 0.00 H new ATOM 0 HE1 MET A 46 13.814 9.348 9.280 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.730 10.347 8.283 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.960 9.322 7.506 1.00 0.00 H new ATOM 385 N PHE A 47 11.218 12.652 3.670 1.00 0.00 N ATOM 386 CA PHE A 47 9.864 12.867 3.133 1.00 0.00 C ATOM 387 C PHE A 47 9.297 11.533 2.597 1.00 0.00 C ATOM 388 O PHE A 47 9.970 10.838 1.843 1.00 0.00 O ATOM 389 CB PHE A 47 9.898 13.942 2.014 1.00 0.00 C ATOM 390 CG PHE A 47 11.269 14.432 1.567 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.202 13.521 1.033 1.00 0.00 C ATOM 392 CD2 PHE A 47 11.632 15.783 1.727 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.494 13.951 0.695 1.00 0.00 C ATOM 394 CE2 PHE A 47 12.912 16.219 1.344 1.00 0.00 C ATOM 395 CZ PHE A 47 13.838 15.307 0.814 1.00 0.00 C ATOM 0 H PHE A 47 11.676 11.863 3.215 1.00 0.00 H new ATOM 0 HA PHE A 47 9.213 13.226 3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 47 9.381 13.540 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.325 14.804 2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 47 11.922 12.489 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 47 10.926 16.485 2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.225 13.238 0.343 1.00 0.00 H new ATOM 0 HE2 PHE A 47 13.184 17.258 1.458 1.00 0.00 H new ATOM 0 HZ PHE A 47 14.813 15.648 0.498 1.00 0.00 H new ATOM 405 N THR A 48 8.073 11.144 2.955 1.00 0.00 N ATOM 406 CA THR A 48 7.467 9.854 2.527 1.00 0.00 C ATOM 407 C THR A 48 6.989 9.903 1.069 1.00 0.00 C ATOM 408 O THR A 48 6.998 10.967 0.461 1.00 0.00 O ATOM 409 CB THR A 48 6.337 9.418 3.490 1.00 0.00 C ATOM 410 OG1 THR A 48 5.730 10.543 4.094 1.00 0.00 O ATOM 411 CG2 THR A 48 6.894 8.522 4.601 1.00 0.00 C ATOM 0 H THR A 48 7.463 11.704 3.550 1.00 0.00 H new ATOM 0 HA THR A 48 8.248 9.095 2.576 1.00 0.00 H new ATOM 0 HB THR A 48 5.600 8.871 2.902 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.017 10.246 4.697 1.00 0.00 H new ATOM 0 HG21 THR A 48 6.085 8.225 5.269 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.345 7.633 4.160 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.648 9.069 5.166 1.00 0.00 H new ATOM 419 N VAL A 49 6.554 8.780 0.470 1.00 0.00 N ATOM 420 CA VAL A 49 6.144 8.732 -0.968 1.00 0.00 C ATOM 421 C VAL A 49 5.116 9.812 -1.337 1.00 0.00 C ATOM 422 O VAL A 49 5.210 10.427 -2.399 1.00 0.00 O ATOM 423 CB VAL A 49 5.637 7.328 -1.376 1.00 0.00 C ATOM 424 CG1 VAL A 49 4.320 6.906 -0.715 1.00 0.00 C ATOM 425 CG2 VAL A 49 5.498 7.182 -2.894 1.00 0.00 C ATOM 0 H VAL A 49 6.473 7.884 0.951 1.00 0.00 H new ATOM 0 HA VAL A 49 7.047 8.947 -1.539 1.00 0.00 H new ATOM 0 HB VAL A 49 6.414 6.658 -1.006 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.043 5.910 -1.060 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.444 6.894 0.368 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.536 7.614 -0.982 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.139 6.181 -3.132 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.788 7.920 -3.267 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.468 7.342 -3.365 1.00 0.00 H new ATOM 435 N LYS A 50 4.201 10.107 -0.406 1.00 0.00 N ATOM 436 CA LYS A 50 3.178 11.161 -0.504 1.00 0.00 C ATOM 437 C LYS A 50 3.789 12.552 -0.714 1.00 0.00 C ATOM 438 O LYS A 50 3.277 13.346 -1.498 1.00 0.00 O ATOM 439 CB LYS A 50 2.344 11.145 0.789 1.00 0.00 C ATOM 440 CG LYS A 50 1.538 9.846 0.974 1.00 0.00 C ATOM 441 CD LYS A 50 0.743 9.822 2.290 1.00 0.00 C ATOM 442 CE LYS A 50 1.654 9.778 3.529 1.00 0.00 C ATOM 443 NZ LYS A 50 0.857 9.638 4.781 1.00 0.00 N ATOM 0 H LYS A 50 4.149 9.597 0.476 1.00 0.00 H new ATOM 0 HA LYS A 50 2.555 10.957 -1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 50 3.007 11.278 1.643 1.00 0.00 H new ATOM 0 HB3 LYS A 50 1.659 11.993 0.782 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.850 9.728 0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.218 8.995 0.950 1.00 0.00 H new ATOM 0 HD2 LYS A 50 0.107 10.705 2.342 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.084 8.954 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.349 8.943 3.443 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.252 10.688 3.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.498 9.611 5.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 0.211 10.448 4.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.305 8.757 4.745 1.00 0.00 H new ATOM 457 N GLU A 51 4.909 12.821 -0.044 1.00 0.00 N ATOM 458 CA GLU A 51 5.705 14.046 -0.168 1.00 0.00 C ATOM 459 C GLU A 51 6.619 14.005 -1.403 1.00 0.00 C ATOM 460 O GLU A 51 6.608 14.935 -2.205 1.00 0.00 O ATOM 461 CB GLU A 51 6.532 14.234 1.118 1.00 0.00 C ATOM 462 CG GLU A 51 5.702 14.430 2.394 1.00 0.00 C ATOM 463 CD GLU A 51 4.859 15.720 2.351 1.00 0.00 C ATOM 464 OE1 GLU A 51 5.381 16.803 2.709 1.00 0.00 O ATOM 465 OE2 GLU A 51 3.662 15.660 1.977 1.00 0.00 O ATOM 0 H GLU A 51 5.305 12.165 0.629 1.00 0.00 H new ATOM 0 HA GLU A 51 5.032 14.893 -0.301 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.175 13.364 1.250 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.185 15.097 0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 51 5.043 13.573 2.532 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.368 14.462 3.256 1.00 0.00 H new ATOM 472 N VAL A 52 7.375 12.917 -1.598 1.00 0.00 N ATOM 473 CA VAL A 52 8.356 12.757 -2.692 1.00 0.00 C ATOM 474 C VAL A 52 7.706 12.918 -4.064 1.00 0.00 C ATOM 475 O VAL A 52 8.181 13.708 -4.879 1.00 0.00 O ATOM 476 CB VAL A 52 9.070 11.392 -2.591 1.00 0.00 C ATOM 477 CG1 VAL A 52 9.941 11.046 -3.806 1.00 0.00 C ATOM 478 CG2 VAL A 52 9.978 11.371 -1.361 1.00 0.00 C ATOM 0 H VAL A 52 7.324 12.101 -0.988 1.00 0.00 H new ATOM 0 HA VAL A 52 9.097 13.549 -2.582 1.00 0.00 H new ATOM 0 HB VAL A 52 8.270 10.654 -2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.406 10.072 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.321 11.016 -4.702 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.716 11.803 -3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 52 10.479 10.405 -1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 52 10.724 12.162 -1.446 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.380 11.531 -0.464 1.00 0.00 H new ATOM 488 N MET A 53 6.598 12.218 -4.321 1.00 0.00 N ATOM 489 CA MET A 53 5.924 12.307 -5.619 1.00 0.00 C ATOM 490 C MET A 53 5.246 13.669 -5.798 1.00 0.00 C ATOM 491 O MET A 53 5.304 14.224 -6.890 1.00 0.00 O ATOM 492 CB MET A 53 4.934 11.146 -5.809 1.00 0.00 C ATOM 493 CG MET A 53 5.598 9.764 -5.698 1.00 0.00 C ATOM 494 SD MET A 53 7.081 9.482 -6.708 1.00 0.00 S ATOM 495 CE MET A 53 6.390 9.572 -8.382 1.00 0.00 C ATOM 0 H MET A 53 6.152 11.589 -3.654 1.00 0.00 H new ATOM 0 HA MET A 53 6.681 12.219 -6.399 1.00 0.00 H new ATOM 0 HB2 MET A 53 4.144 11.224 -5.062 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.459 11.237 -6.786 1.00 0.00 H new ATOM 0 HG2 MET A 53 5.862 9.597 -4.654 1.00 0.00 H new ATOM 0 HG3 MET A 53 4.858 9.009 -5.964 1.00 0.00 H new ATOM 0 HE1 MET A 53 6.515 8.610 -8.880 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.329 9.816 -8.325 1.00 0.00 H new ATOM 0 HE3 MET A 53 6.910 10.344 -8.949 1.00 0.00 H new ATOM 505 N HIS A 54 4.698 14.270 -4.735 1.00 0.00 N ATOM 506 CA HIS A 54 4.160 15.638 -4.787 1.00 0.00 C ATOM 507 C HIS A 54 5.241 16.656 -5.163 1.00 0.00 C ATOM 508 O HIS A 54 5.045 17.463 -6.067 1.00 0.00 O ATOM 509 CB HIS A 54 3.509 15.993 -3.444 1.00 0.00 C ATOM 510 CG HIS A 54 2.789 17.321 -3.430 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.960 17.814 -4.443 1.00 0.00 N ATOM 512 CD2 HIS A 54 2.807 18.218 -2.401 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.500 18.998 -4.002 1.00 0.00 C ATOM 514 NE2 HIS A 54 1.994 19.265 -2.780 1.00 0.00 N ATOM 0 H HIS A 54 4.614 13.827 -3.820 1.00 0.00 H new ATOM 0 HA HIS A 54 3.401 15.678 -5.568 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.802 15.207 -3.178 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.279 16.003 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 54 3.351 18.126 -1.473 1.00 0.00 H new ATOM 0 HE1 HIS A 54 0.829 19.643 -4.551 1.00 0.00 H new ATOM 0 HE2 HIS A 54 1.800 20.100 -2.227 1.00 0.00 H new ATOM 522 N TYR A 55 6.421 16.600 -4.543 1.00 0.00 N ATOM 523 CA TYR A 55 7.563 17.435 -4.938 1.00 0.00 C ATOM 524 C TYR A 55 7.995 17.190 -6.392 1.00 0.00 C ATOM 525 O TYR A 55 8.239 18.156 -7.108 1.00 0.00 O ATOM 526 CB TYR A 55 8.729 17.243 -3.957 1.00 0.00 C ATOM 527 CG TYR A 55 8.567 17.967 -2.629 1.00 0.00 C ATOM 528 CD1 TYR A 55 8.416 19.370 -2.601 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.587 17.246 -1.418 1.00 0.00 C ATOM 530 CE1 TYR A 55 8.256 20.044 -1.375 1.00 0.00 C ATOM 531 CE2 TYR A 55 8.429 17.915 -0.189 1.00 0.00 C ATOM 532 CZ TYR A 55 8.258 19.317 -0.163 1.00 0.00 C ATOM 533 OH TYR A 55 8.112 19.959 1.030 1.00 0.00 O ATOM 0 H TYR A 55 6.614 15.979 -3.757 1.00 0.00 H new ATOM 0 HA TYR A 55 7.242 18.476 -4.891 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.851 16.177 -3.762 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.647 17.587 -4.433 1.00 0.00 H new ATOM 0 HD1 TYR A 55 8.423 19.930 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.724 16.175 -1.433 1.00 0.00 H new ATOM 0 HE1 TYR A 55 8.132 21.117 -1.361 1.00 0.00 H new ATOM 0 HE2 TYR A 55 8.439 17.356 0.735 1.00 0.00 H new ATOM 0 HH TYR A 55 8.136 19.304 1.759 1.00 0.00 H new ATOM 543 N LEU A 56 8.009 15.943 -6.872 1.00 0.00 N ATOM 544 CA LEU A 56 8.362 15.609 -8.260 1.00 0.00 C ATOM 545 C LEU A 56 7.338 16.150 -9.277 1.00 0.00 C ATOM 546 O LEU A 56 7.719 16.759 -10.276 1.00 0.00 O ATOM 547 CB LEU A 56 8.520 14.080 -8.378 1.00 0.00 C ATOM 548 CG LEU A 56 9.825 13.526 -7.776 1.00 0.00 C ATOM 549 CD1 LEU A 56 9.753 12.004 -7.658 1.00 0.00 C ATOM 550 CD2 LEU A 56 11.025 13.856 -8.657 1.00 0.00 C ATOM 0 H LEU A 56 7.774 15.128 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 56 9.306 16.096 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.675 13.601 -7.885 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.474 13.803 -9.431 1.00 0.00 H new ATOM 0 HG LEU A 56 9.943 13.988 -6.796 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.683 11.628 -7.231 1.00 0.00 H new ATOM 0 HD12 LEU A 56 8.919 11.728 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.606 11.569 -8.647 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.931 13.451 -8.205 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.884 13.415 -9.644 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.119 14.938 -8.753 1.00 0.00 H new ATOM 562 N GLY A 57 6.041 15.990 -9.008 1.00 0.00 N ATOM 563 CA GLY A 57 4.966 16.496 -9.866 1.00 0.00 C ATOM 564 C GLY A 57 4.930 18.024 -9.920 1.00 0.00 C ATOM 565 O GLY A 57 4.897 18.611 -11.006 1.00 0.00 O ATOM 0 H GLY A 57 5.703 15.500 -8.180 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.095 16.103 -10.874 1.00 0.00 H new ATOM 0 HA3 GLY A 57 4.008 16.126 -9.500 1.00 0.00 H new ATOM 569 N GLN A 58 5.056 18.676 -8.756 1.00 0.00 N ATOM 570 CA GLN A 58 5.211 20.139 -8.665 1.00 0.00 C ATOM 571 C GLN A 58 6.415 20.608 -9.463 1.00 0.00 C ATOM 572 O GLN A 58 6.285 21.495 -10.290 1.00 0.00 O ATOM 573 CB GLN A 58 5.424 20.598 -7.218 1.00 0.00 C ATOM 574 CG GLN A 58 4.144 20.483 -6.404 1.00 0.00 C ATOM 575 CD GLN A 58 4.412 20.760 -4.929 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.109 19.866 -4.264 1.00 0.00 O flip ATOM 577 NE2 GLN A 58 4.035 21.783 -4.371 1.00 0.00 N flip ATOM 0 H GLN A 58 5.054 18.207 -7.850 1.00 0.00 H new ATOM 0 HA GLN A 58 4.291 20.567 -9.062 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.206 19.996 -6.755 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.770 21.632 -7.210 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.403 21.188 -6.782 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.723 19.484 -6.520 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.494 22.476 -4.888 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.262 21.942 -3.389 1.00 0.00 H new ATOM 586 N TYR A 59 7.568 19.984 -9.248 1.00 0.00 N ATOM 587 CA TYR A 59 8.818 20.301 -9.956 1.00 0.00 C ATOM 588 C TYR A 59 8.655 20.240 -11.480 1.00 0.00 C ATOM 589 O TYR A 59 9.032 21.184 -12.174 1.00 0.00 O ATOM 590 CB TYR A 59 9.909 19.350 -9.465 1.00 0.00 C ATOM 591 CG TYR A 59 11.270 19.473 -10.129 1.00 0.00 C ATOM 592 CD1 TYR A 59 11.518 18.801 -11.342 1.00 0.00 C ATOM 593 CD2 TYR A 59 12.303 20.211 -9.515 1.00 0.00 C ATOM 594 CE1 TYR A 59 12.781 18.886 -11.954 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.577 20.283 -10.116 1.00 0.00 C ATOM 596 CZ TYR A 59 13.817 19.629 -11.347 1.00 0.00 C ATOM 597 OH TYR A 59 15.037 19.701 -11.942 1.00 0.00 O ATOM 0 H TYR A 59 7.669 19.231 -8.568 1.00 0.00 H new ATOM 0 HA TYR A 59 9.102 21.329 -9.732 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.038 19.504 -8.394 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.556 18.328 -9.600 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.735 18.218 -11.804 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.118 20.723 -8.582 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.959 18.381 -12.892 1.00 0.00 H new ATOM 0 HE2 TYR A 59 14.370 20.838 -9.636 1.00 0.00 H new ATOM 0 HH TYR A 59 14.991 19.295 -12.833 1.00 0.00 H new ATOM 607 N ILE A 60 8.011 19.191 -12.003 1.00 0.00 N ATOM 608 CA ILE A 60 7.706 19.055 -13.437 1.00 0.00 C ATOM 609 C ILE A 60 6.807 20.212 -13.915 1.00 0.00 C ATOM 610 O ILE A 60 7.137 20.886 -14.898 1.00 0.00 O ATOM 611 CB ILE A 60 7.134 17.637 -13.705 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.261 16.589 -13.530 1.00 0.00 C ATOM 613 CG2 ILE A 60 6.508 17.466 -15.102 1.00 0.00 C ATOM 614 CD1 ILE A 60 7.757 15.146 -13.440 1.00 0.00 C ATOM 0 H ILE A 60 7.683 18.405 -11.441 1.00 0.00 H new ATOM 0 HA ILE A 60 8.613 19.141 -14.035 1.00 0.00 H new ATOM 0 HB ILE A 60 6.331 17.491 -12.982 1.00 0.00 H new ATOM 0 HG12 ILE A 60 8.953 16.670 -14.368 1.00 0.00 H new ATOM 0 HG13 ILE A 60 8.825 16.824 -12.627 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.132 16.449 -15.210 1.00 0.00 H new ATOM 0 HG22 ILE A 60 5.686 18.171 -15.221 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.263 17.657 -15.865 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.605 14.471 -13.318 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.089 15.047 -12.585 1.00 0.00 H new ATOM 0 HD13 ILE A 60 7.218 14.891 -14.353 1.00 0.00 H new ATOM 626 N MET A 61 5.732 20.519 -13.183 1.00 0.00 N ATOM 627 CA MET A 61 4.842 21.653 -13.492 1.00 0.00 C ATOM 628 C MET A 61 5.522 23.031 -13.358 1.00 0.00 C ATOM 629 O MET A 61 5.222 23.936 -14.135 1.00 0.00 O ATOM 630 CB MET A 61 3.591 21.592 -12.598 1.00 0.00 C ATOM 631 CG MET A 61 2.690 20.371 -12.837 1.00 0.00 C ATOM 632 SD MET A 61 1.863 20.291 -14.452 1.00 0.00 S ATOM 633 CE MET A 61 3.018 19.244 -15.379 1.00 0.00 C ATOM 0 H MET A 61 5.450 19.990 -12.357 1.00 0.00 H new ATOM 0 HA MET A 61 4.565 21.552 -14.541 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.906 21.595 -11.555 1.00 0.00 H new ATOM 0 HB3 MET A 61 3.004 22.496 -12.756 1.00 0.00 H new ATOM 0 HG2 MET A 61 3.293 19.471 -12.715 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.926 20.351 -12.059 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.621 19.059 -16.377 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.981 19.748 -15.460 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.147 18.295 -14.858 1.00 0.00 H new ATOM 643 N VAL A 62 6.456 23.201 -12.413 1.00 0.00 N ATOM 644 CA VAL A 62 7.140 24.463 -12.102 1.00 0.00 C ATOM 645 C VAL A 62 8.239 24.771 -13.114 1.00 0.00 C ATOM 646 O VAL A 62 8.341 25.900 -13.596 1.00 0.00 O ATOM 647 CB VAL A 62 7.667 24.376 -10.652 1.00 0.00 C ATOM 648 CG1 VAL A 62 8.826 25.309 -10.323 1.00 0.00 C ATOM 649 CG2 VAL A 62 6.530 24.659 -9.664 1.00 0.00 C ATOM 0 H VAL A 62 6.768 22.432 -11.820 1.00 0.00 H new ATOM 0 HA VAL A 62 6.443 25.298 -12.176 1.00 0.00 H new ATOM 0 HB VAL A 62 8.051 23.360 -10.559 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.121 25.170 -9.283 1.00 0.00 H new ATOM 0 HG12 VAL A 62 9.671 25.083 -10.973 1.00 0.00 H new ATOM 0 HG13 VAL A 62 8.516 26.343 -10.478 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.910 24.596 -8.644 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.134 25.659 -9.842 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.737 23.924 -9.802 1.00 0.00 H new ATOM 659 N LYS A 63 9.030 23.756 -13.478 1.00 0.00 N ATOM 660 CA LYS A 63 10.071 23.852 -14.510 1.00 0.00 C ATOM 661 C LYS A 63 9.512 23.689 -15.936 1.00 0.00 C ATOM 662 O LYS A 63 10.207 24.039 -16.889 1.00 0.00 O ATOM 663 CB LYS A 63 11.204 22.860 -14.182 1.00 0.00 C ATOM 664 CG LYS A 63 11.897 23.073 -12.820 1.00 0.00 C ATOM 665 CD LYS A 63 12.536 24.457 -12.608 1.00 0.00 C ATOM 666 CE LYS A 63 13.609 24.773 -13.662 1.00 0.00 C ATOM 667 NZ LYS A 63 14.265 26.086 -13.405 1.00 0.00 N ATOM 0 H LYS A 63 8.965 22.829 -13.058 1.00 0.00 H new ATOM 0 HA LYS A 63 10.487 24.859 -14.497 1.00 0.00 H new ATOM 0 HB2 LYS A 63 10.798 21.849 -14.210 1.00 0.00 H new ATOM 0 HB3 LYS A 63 11.957 22.922 -14.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.165 22.906 -12.030 1.00 0.00 H new ATOM 0 HG3 LYS A 63 12.670 22.314 -12.703 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.760 25.222 -12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 63 12.982 24.500 -11.614 1.00 0.00 H new ATOM 0 HE2 LYS A 63 14.361 23.984 -13.663 1.00 0.00 H new ATOM 0 HE3 LYS A 63 13.155 24.781 -14.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.983 26.265 -14.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 13.551 26.842 -13.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 14.720 26.070 -12.470 1.00 0.00 H new ATOM 681 N GLN A 64 8.263 23.218 -16.090 1.00 0.00 N ATOM 682 CA GLN A 64 7.548 23.079 -17.373 1.00 0.00 C ATOM 683 C GLN A 64 8.125 21.967 -18.261 1.00 0.00 C ATOM 684 O GLN A 64 8.399 22.126 -19.450 1.00 0.00 O ATOM 685 CB GLN A 64 7.303 24.429 -18.072 1.00 0.00 C ATOM 686 CG GLN A 64 6.624 25.422 -17.117 1.00 0.00 C ATOM 687 CD GLN A 64 6.218 26.745 -17.772 1.00 0.00 C ATOM 688 OE1 GLN A 64 6.472 27.025 -18.938 1.00 0.00 O ATOM 689 NE2 GLN A 64 5.567 27.625 -17.039 1.00 0.00 N ATOM 0 H GLN A 64 7.701 22.912 -15.295 1.00 0.00 H new ATOM 0 HA GLN A 64 6.544 22.726 -17.140 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.250 24.841 -18.419 1.00 0.00 H new ATOM 0 HB3 GLN A 64 6.679 24.280 -18.953 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.737 24.952 -16.693 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.300 25.632 -16.288 1.00 0.00 H new ATOM 0 HE21 GLN A 64 5.345 27.414 -16.066 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.285 28.518 -17.444 1.00 0.00 H new ATOM 698 N LEU A 65 8.283 20.806 -17.624 1.00 0.00 N ATOM 699 CA LEU A 65 8.827 19.556 -18.159 1.00 0.00 C ATOM 700 C LEU A 65 7.719 18.685 -18.777 1.00 0.00 C ATOM 701 O LEU A 65 7.663 17.485 -18.539 1.00 0.00 O ATOM 702 CB LEU A 65 9.573 18.862 -16.998 1.00 0.00 C ATOM 703 CG LEU A 65 11.015 19.320 -16.707 1.00 0.00 C ATOM 704 CD1 LEU A 65 11.346 20.774 -17.003 1.00 0.00 C ATOM 705 CD2 LEU A 65 11.336 19.029 -15.240 1.00 0.00 C ATOM 0 H LEU A 65 8.013 20.707 -16.645 1.00 0.00 H new ATOM 0 HA LEU A 65 9.523 19.741 -18.977 1.00 0.00 H new ATOM 0 HB2 LEU A 65 8.986 19.000 -16.090 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.595 17.792 -17.204 1.00 0.00 H new ATOM 0 HG LEU A 65 11.631 18.752 -17.404 1.00 0.00 H new ATOM 0 HD11 LEU A 65 12.390 20.967 -16.755 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.181 20.977 -18.061 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.705 21.422 -16.405 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.355 19.349 -15.020 1.00 0.00 H new ATOM 0 HD22 LEU A 65 10.640 19.571 -14.601 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.243 17.959 -15.052 1.00 0.00 H new ATOM 717 N TYR A 66 6.781 19.268 -19.520 1.00 0.00 N ATOM 718 CA TYR A 66 5.632 18.544 -20.089 1.00 0.00 C ATOM 719 C TYR A 66 5.128 19.160 -21.413 1.00 0.00 C ATOM 720 O TYR A 66 5.513 20.276 -21.775 1.00 0.00 O ATOM 721 CB TYR A 66 4.505 18.515 -19.039 1.00 0.00 C ATOM 722 CG TYR A 66 3.903 19.873 -18.701 1.00 0.00 C ATOM 723 CD1 TYR A 66 4.536 20.734 -17.780 1.00 0.00 C ATOM 724 CD2 TYR A 66 2.683 20.262 -19.287 1.00 0.00 C ATOM 725 CE1 TYR A 66 3.948 21.971 -17.448 1.00 0.00 C ATOM 726 CE2 TYR A 66 2.101 21.505 -18.973 1.00 0.00 C ATOM 727 CZ TYR A 66 2.733 22.364 -18.049 1.00 0.00 C ATOM 728 OH TYR A 66 2.181 23.567 -17.725 1.00 0.00 O ATOM 0 H TYR A 66 6.791 20.262 -19.749 1.00 0.00 H new ATOM 0 HA TYR A 66 5.954 17.532 -20.334 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.710 17.862 -19.399 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.894 18.069 -18.124 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.473 20.445 -17.328 1.00 0.00 H new ATOM 0 HD2 TYR A 66 2.189 19.601 -19.984 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.429 22.620 -16.731 1.00 0.00 H new ATOM 0 HE2 TYR A 66 1.172 21.801 -19.439 1.00 0.00 H new ATOM 0 HH TYR A 66 1.347 23.689 -18.225 1.00 0.00 H new ATOM 738 N ASP A 67 4.252 18.451 -22.138 1.00 0.00 N ATOM 739 CA ASP A 67 3.582 18.963 -23.349 1.00 0.00 C ATOM 740 C ASP A 67 2.241 19.646 -23.026 1.00 0.00 C ATOM 741 O ASP A 67 1.443 19.121 -22.251 1.00 0.00 O ATOM 742 CB ASP A 67 3.359 17.828 -24.354 1.00 0.00 C ATOM 743 CG ASP A 67 2.788 18.364 -25.674 1.00 0.00 C ATOM 744 OD1 ASP A 67 1.548 18.498 -25.774 1.00 0.00 O ATOM 745 OD2 ASP A 67 3.581 18.694 -26.588 1.00 0.00 O ATOM 0 H ASP A 67 3.984 17.496 -21.901 1.00 0.00 H new ATOM 0 HA ASP A 67 4.239 19.715 -23.786 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.302 17.315 -24.544 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.676 17.092 -23.931 1.00 0.00 H new ATOM 750 N GLN A 68 1.948 20.793 -23.650 1.00 0.00 N ATOM 751 CA GLN A 68 0.756 21.587 -23.336 1.00 0.00 C ATOM 752 C GLN A 68 -0.592 20.934 -23.706 1.00 0.00 C ATOM 753 O GLN A 68 -1.616 21.300 -23.124 1.00 0.00 O ATOM 754 CB GLN A 68 0.911 22.985 -23.957 1.00 0.00 C ATOM 755 CG GLN A 68 0.776 23.011 -25.493 1.00 0.00 C ATOM 756 CD GLN A 68 0.978 24.400 -26.109 1.00 0.00 C ATOM 757 OE1 GLN A 68 1.201 25.406 -25.444 1.00 0.00 O ATOM 758 NE2 GLN A 68 0.904 24.515 -27.420 1.00 0.00 N ATOM 0 H GLN A 68 2.530 21.195 -24.385 1.00 0.00 H new ATOM 0 HA GLN A 68 0.705 21.657 -22.249 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.160 23.647 -23.526 1.00 0.00 H new ATOM 0 HB3 GLN A 68 1.886 23.387 -23.682 1.00 0.00 H new ATOM 0 HG2 GLN A 68 1.504 22.323 -25.924 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.212 22.642 -25.768 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.720 23.693 -27.994 1.00 0.00 H new ATOM 0 HE22 GLN A 68 1.031 25.426 -27.860 1.00 0.00 H new ATOM 767 N GLN A 69 -0.606 19.965 -24.628 1.00 0.00 N ATOM 768 CA GLN A 69 -1.785 19.173 -25.002 1.00 0.00 C ATOM 769 C GLN A 69 -1.725 17.749 -24.420 1.00 0.00 C ATOM 770 O GLN A 69 -2.765 17.187 -24.071 1.00 0.00 O ATOM 771 CB GLN A 69 -1.910 19.171 -26.537 1.00 0.00 C ATOM 772 CG GLN A 69 -3.116 18.396 -27.099 1.00 0.00 C ATOM 773 CD GLN A 69 -4.469 18.932 -26.627 1.00 0.00 C ATOM 774 OE1 GLN A 69 -5.096 19.770 -27.265 1.00 0.00 O ATOM 775 NE2 GLN A 69 -4.975 18.479 -25.497 1.00 0.00 N ATOM 0 H GLN A 69 0.229 19.701 -25.151 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.679 19.628 -24.574 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -1.970 20.203 -26.881 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.999 18.747 -26.959 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -3.082 18.430 -28.188 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.030 17.349 -26.810 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -4.466 17.781 -24.954 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -5.875 18.826 -25.166 1.00 0.00 H new ATOM 784 N GLU A 70 -0.528 17.179 -24.264 1.00 0.00 N ATOM 785 CA GLU A 70 -0.294 15.875 -23.625 1.00 0.00 C ATOM 786 C GLU A 70 0.279 16.077 -22.214 1.00 0.00 C ATOM 787 O GLU A 70 1.411 15.703 -21.918 1.00 0.00 O ATOM 788 CB GLU A 70 0.545 14.951 -24.527 1.00 0.00 C ATOM 789 CG GLU A 70 -0.194 14.590 -25.823 1.00 0.00 C ATOM 790 CD GLU A 70 0.566 13.502 -26.604 1.00 0.00 C ATOM 791 OE1 GLU A 70 1.434 13.840 -27.446 1.00 0.00 O ATOM 792 OE2 GLU A 70 0.290 12.295 -26.392 1.00 0.00 O ATOM 0 H GLU A 70 0.332 17.622 -24.587 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.242 15.353 -23.498 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.488 15.441 -24.771 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.791 14.039 -23.983 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.199 14.240 -25.588 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.304 15.479 -26.444 1.00 0.00 H new ATOM 799 N GLN A 71 -0.509 16.693 -21.326 1.00 0.00 N ATOM 800 CA GLN A 71 -0.056 17.107 -19.986 1.00 0.00 C ATOM 801 C GLN A 71 0.234 15.916 -19.046 1.00 0.00 C ATOM 802 O GLN A 71 0.920 16.068 -18.034 1.00 0.00 O ATOM 803 CB GLN A 71 -1.079 18.083 -19.377 1.00 0.00 C ATOM 804 CG GLN A 71 -1.254 19.360 -20.224 1.00 0.00 C ATOM 805 CD GLN A 71 -2.260 20.361 -19.652 1.00 0.00 C ATOM 806 OE1 GLN A 71 -2.721 20.278 -18.519 1.00 0.00 O ATOM 807 NE2 GLN A 71 -2.640 21.359 -20.423 1.00 0.00 N ATOM 0 H GLN A 71 -1.485 16.921 -21.514 1.00 0.00 H new ATOM 0 HA GLN A 71 0.900 17.617 -20.102 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.042 17.581 -19.279 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.760 18.359 -18.372 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.286 19.852 -20.323 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.572 19.076 -21.227 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.267 21.444 -21.368 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.308 22.047 -20.075 1.00 0.00 H new ATOM 816 N HIS A 72 -0.249 14.720 -19.404 1.00 0.00 N ATOM 817 CA HIS A 72 0.073 13.426 -18.786 1.00 0.00 C ATOM 818 C HIS A 72 1.439 12.859 -19.229 1.00 0.00 C ATOM 819 O HIS A 72 1.937 11.901 -18.635 1.00 0.00 O ATOM 820 CB HIS A 72 -1.056 12.456 -19.163 1.00 0.00 C ATOM 821 CG HIS A 72 -1.118 12.177 -20.648 1.00 0.00 C ATOM 822 ND1 HIS A 72 -1.779 12.964 -21.598 1.00 0.00 N ATOM 823 CD2 HIS A 72 -0.460 11.170 -21.291 1.00 0.00 C ATOM 824 CE1 HIS A 72 -1.525 12.391 -22.788 1.00 0.00 C ATOM 825 NE2 HIS A 72 -0.730 11.319 -22.634 1.00 0.00 N ATOM 0 H HIS A 72 -0.911 14.623 -20.174 1.00 0.00 H new ATOM 0 HA HIS A 72 0.152 13.560 -17.707 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -0.916 11.517 -18.627 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -2.009 12.871 -18.836 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.153 10.406 -20.836 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -1.907 12.743 -23.735 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -0.385 10.718 -23.383 1.00 0.00 H new ATOM 833 N MET A 73 2.036 13.434 -20.278 1.00 0.00 N ATOM 834 CA MET A 73 3.327 13.065 -20.853 1.00 0.00 C ATOM 835 C MET A 73 4.407 14.063 -20.411 1.00 0.00 C ATOM 836 O MET A 73 4.242 15.282 -20.519 1.00 0.00 O ATOM 837 CB MET A 73 3.197 12.997 -22.384 1.00 0.00 C ATOM 838 CG MET A 73 4.421 12.397 -23.042 1.00 0.00 C ATOM 839 SD MET A 73 4.613 10.634 -22.720 1.00 0.00 S ATOM 840 CE MET A 73 6.311 10.589 -23.283 1.00 0.00 C ATOM 0 H MET A 73 1.604 14.213 -20.774 1.00 0.00 H new ATOM 0 HA MET A 73 3.631 12.082 -20.493 1.00 0.00 H new ATOM 0 HB2 MET A 73 2.320 12.404 -22.645 1.00 0.00 H new ATOM 0 HB3 MET A 73 3.032 14.000 -22.777 1.00 0.00 H new ATOM 0 HG2 MET A 73 4.362 12.558 -24.118 1.00 0.00 H new ATOM 0 HG3 MET A 73 5.309 12.922 -22.689 1.00 0.00 H new ATOM 0 HE1 MET A 73 6.496 9.651 -23.806 1.00 0.00 H new ATOM 0 HE2 MET A 73 6.492 11.424 -23.960 1.00 0.00 H new ATOM 0 HE3 MET A 73 6.981 10.665 -22.426 1.00 0.00 H new ATOM 850 N VAL A 74 5.528 13.545 -19.914 1.00 0.00 N ATOM 851 CA VAL A 74 6.634 14.323 -19.353 1.00 0.00 C ATOM 852 C VAL A 74 7.735 14.448 -20.402 1.00 0.00 C ATOM 853 O VAL A 74 8.041 13.492 -21.112 1.00 0.00 O ATOM 854 CB VAL A 74 7.117 13.697 -18.028 1.00 0.00 C ATOM 855 CG1 VAL A 74 8.279 14.472 -17.400 1.00 0.00 C ATOM 856 CG2 VAL A 74 5.969 13.689 -17.008 1.00 0.00 C ATOM 0 H VAL A 74 5.699 12.540 -19.889 1.00 0.00 H new ATOM 0 HA VAL A 74 6.305 15.332 -19.103 1.00 0.00 H new ATOM 0 HB VAL A 74 7.453 12.688 -18.268 1.00 0.00 H new ATOM 0 HG11 VAL A 74 8.579 13.988 -16.470 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.122 14.486 -18.090 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.964 15.494 -17.192 1.00 0.00 H new ATOM 0 HG21 VAL A 74 6.315 13.246 -16.074 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.639 14.711 -16.824 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.137 13.104 -17.401 1.00 0.00 H new ATOM 866 N TYR A 75 8.321 15.639 -20.486 1.00 0.00 N ATOM 867 CA TYR A 75 9.350 16.060 -21.434 1.00 0.00 C ATOM 868 C TYR A 75 10.465 16.826 -20.708 1.00 0.00 C ATOM 869 O TYR A 75 10.648 18.036 -20.836 1.00 0.00 O ATOM 870 CB TYR A 75 8.706 16.834 -22.593 1.00 0.00 C ATOM 871 CG TYR A 75 8.066 15.893 -23.590 1.00 0.00 C ATOM 872 CD1 TYR A 75 8.892 15.000 -24.298 1.00 0.00 C ATOM 873 CD2 TYR A 75 6.671 15.856 -23.768 1.00 0.00 C ATOM 874 CE1 TYR A 75 8.326 14.065 -25.180 1.00 0.00 C ATOM 875 CE2 TYR A 75 6.102 14.942 -24.677 1.00 0.00 C ATOM 876 CZ TYR A 75 6.930 14.040 -25.386 1.00 0.00 C ATOM 877 OH TYR A 75 6.396 13.145 -26.264 1.00 0.00 O ATOM 0 H TYR A 75 8.071 16.392 -19.845 1.00 0.00 H new ATOM 0 HA TYR A 75 9.833 15.191 -21.880 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.955 17.520 -22.202 1.00 0.00 H new ATOM 0 HB3 TYR A 75 9.461 17.440 -23.094 1.00 0.00 H new ATOM 0 HD1 TYR A 75 9.963 15.034 -24.163 1.00 0.00 H new ATOM 0 HD2 TYR A 75 6.037 16.528 -23.208 1.00 0.00 H new ATOM 0 HE1 TYR A 75 8.960 13.364 -25.702 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.033 14.930 -24.833 1.00 0.00 H new ATOM 0 HH TYR A 75 5.423 13.255 -26.291 1.00 0.00 H new ATOM 887 N CYS A 76 11.235 16.059 -19.944 1.00 0.00 N ATOM 888 CA CYS A 76 12.502 16.430 -19.290 1.00 0.00 C ATOM 889 C CYS A 76 13.701 16.496 -20.271 1.00 0.00 C ATOM 890 O CYS A 76 14.819 16.139 -19.896 1.00 0.00 O ATOM 891 CB CYS A 76 12.771 15.439 -18.137 1.00 0.00 C ATOM 892 SG CYS A 76 11.541 15.567 -16.811 1.00 0.00 S ATOM 0 H CYS A 76 10.979 15.092 -19.746 1.00 0.00 H new ATOM 0 HA CYS A 76 12.398 17.442 -18.898 1.00 0.00 H new ATOM 0 HB2 CYS A 76 12.773 14.422 -18.529 1.00 0.00 H new ATOM 0 HB3 CYS A 76 13.764 15.625 -17.727 1.00 0.00 H new ATOM 0 HG CYS A 76 11.821 14.709 -15.875 1.00 0.00 H new ATOM 898 N GLY A 77 13.482 16.954 -21.513 1.00 0.00 N ATOM 899 CA GLY A 77 14.407 16.899 -22.664 1.00 0.00 C ATOM 900 C GLY A 77 15.869 17.303 -22.419 1.00 0.00 C ATOM 901 O GLY A 77 16.771 16.740 -23.044 1.00 0.00 O ATOM 0 H GLY A 77 12.599 17.402 -21.760 1.00 0.00 H new ATOM 0 HA2 GLY A 77 14.400 15.881 -23.053 1.00 0.00 H new ATOM 0 HA3 GLY A 77 14.007 17.542 -23.448 1.00 0.00 H new ATOM 905 N GLY A 78 16.111 18.232 -21.490 1.00 0.00 N ATOM 906 CA GLY A 78 17.447 18.622 -21.020 1.00 0.00 C ATOM 907 C GLY A 78 17.534 18.840 -19.504 1.00 0.00 C ATOM 908 O GLY A 78 18.396 19.596 -19.053 1.00 0.00 O ATOM 0 H GLY A 78 15.362 18.750 -21.030 1.00 0.00 H new ATOM 0 HA2 GLY A 78 18.162 17.851 -21.308 1.00 0.00 H new ATOM 0 HA3 GLY A 78 17.746 19.539 -21.527 1.00 0.00 H new ATOM 912 N ASP A 79 16.630 18.244 -18.713 1.00 0.00 N ATOM 913 CA ASP A 79 16.557 18.492 -17.263 1.00 0.00 C ATOM 914 C ASP A 79 17.373 17.500 -16.431 1.00 0.00 C ATOM 915 O ASP A 79 17.439 16.309 -16.743 1.00 0.00 O ATOM 916 CB ASP A 79 15.104 18.528 -16.771 1.00 0.00 C ATOM 917 CG ASP A 79 15.038 19.247 -15.414 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.022 20.499 -15.401 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.066 18.554 -14.370 1.00 0.00 O ATOM 0 H ASP A 79 15.934 17.582 -19.055 1.00 0.00 H new ATOM 0 HA ASP A 79 17.008 19.473 -17.114 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.476 19.043 -17.498 1.00 0.00 H new ATOM 0 HB3 ASP A 79 14.716 17.514 -16.676 1.00 0.00 H new ATOM 924 N LEU A 80 17.912 17.985 -15.309 1.00 0.00 N ATOM 925 CA LEU A 80 18.601 17.183 -14.302 1.00 0.00 C ATOM 926 C LEU A 80 17.767 15.977 -13.833 1.00 0.00 C ATOM 927 O LEU A 80 18.330 14.901 -13.658 1.00 0.00 O ATOM 928 CB LEU A 80 18.956 18.116 -13.129 1.00 0.00 C ATOM 929 CG LEU A 80 19.727 17.437 -11.985 1.00 0.00 C ATOM 930 CD1 LEU A 80 21.088 16.895 -12.428 1.00 0.00 C ATOM 931 CD2 LEU A 80 19.957 18.441 -10.854 1.00 0.00 C ATOM 0 H LEU A 80 17.878 18.977 -15.072 1.00 0.00 H new ATOM 0 HA LEU A 80 19.504 16.754 -14.736 1.00 0.00 H new ATOM 0 HB2 LEU A 80 19.551 18.946 -13.509 1.00 0.00 H new ATOM 0 HB3 LEU A 80 18.036 18.541 -12.728 1.00 0.00 H new ATOM 0 HG LEU A 80 19.118 16.596 -11.652 1.00 0.00 H new ATOM 0 HD11 LEU A 80 21.587 16.427 -11.579 1.00 0.00 H new ATOM 0 HD12 LEU A 80 20.946 16.157 -13.218 1.00 0.00 H new ATOM 0 HD13 LEU A 80 21.702 17.714 -12.803 1.00 0.00 H new ATOM 0 HD21 LEU A 80 20.504 17.958 -10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 80 20.535 19.285 -11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 80 18.996 18.796 -10.482 1.00 0.00 H new ATOM 943 N LEU A 81 16.441 16.111 -13.691 1.00 0.00 N ATOM 944 CA LEU A 81 15.556 14.991 -13.346 1.00 0.00 C ATOM 945 C LEU A 81 15.526 13.922 -14.453 1.00 0.00 C ATOM 946 O LEU A 81 15.631 12.736 -14.149 1.00 0.00 O ATOM 947 CB LEU A 81 14.153 15.541 -13.014 1.00 0.00 C ATOM 948 CG LEU A 81 13.074 14.479 -12.715 1.00 0.00 C ATOM 949 CD1 LEU A 81 13.445 13.543 -11.562 1.00 0.00 C ATOM 950 CD2 LEU A 81 11.759 15.172 -12.359 1.00 0.00 C ATOM 0 H LEU A 81 15.953 16.998 -13.812 1.00 0.00 H new ATOM 0 HA LEU A 81 15.945 14.484 -12.463 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.236 16.201 -12.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.814 16.152 -13.851 1.00 0.00 H new ATOM 0 HG LEU A 81 12.981 13.875 -13.618 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.643 12.822 -11.406 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.366 13.014 -11.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.591 14.126 -10.653 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.998 14.421 -12.148 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.905 15.799 -11.479 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.436 15.791 -13.196 1.00 0.00 H new ATOM 962 N GLY A 82 15.439 14.314 -15.729 1.00 0.00 N ATOM 963 CA GLY A 82 15.461 13.370 -16.859 1.00 0.00 C ATOM 964 C GLY A 82 16.806 12.651 -17.013 1.00 0.00 C ATOM 965 O GLY A 82 16.856 11.445 -17.262 1.00 0.00 O ATOM 0 H GLY A 82 15.352 15.291 -16.010 1.00 0.00 H new ATOM 0 HA2 GLY A 82 14.673 12.629 -16.722 1.00 0.00 H new ATOM 0 HA3 GLY A 82 15.236 13.908 -17.780 1.00 0.00 H new ATOM 969 N GLU A 83 17.910 13.373 -16.821 1.00 0.00 N ATOM 970 CA GLU A 83 19.276 12.824 -16.819 1.00 0.00 C ATOM 971 C GLU A 83 19.472 11.818 -15.676 1.00 0.00 C ATOM 972 O GLU A 83 19.965 10.709 -15.885 1.00 0.00 O ATOM 973 CB GLU A 83 20.282 13.966 -16.627 1.00 0.00 C ATOM 974 CG GLU A 83 20.290 14.995 -17.757 1.00 0.00 C ATOM 975 CD GLU A 83 21.323 14.644 -18.844 1.00 0.00 C ATOM 976 OE1 GLU A 83 21.060 13.734 -19.668 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.410 15.272 -18.884 1.00 0.00 O ATOM 0 H GLU A 83 17.884 14.380 -16.658 1.00 0.00 H new ATOM 0 HA GLU A 83 19.434 12.317 -17.771 1.00 0.00 H new ATOM 0 HB2 GLU A 83 20.061 14.476 -15.689 1.00 0.00 H new ATOM 0 HB3 GLU A 83 21.281 13.542 -16.531 1.00 0.00 H new ATOM 0 HG2 GLU A 83 19.297 15.052 -18.204 1.00 0.00 H new ATOM 0 HG3 GLU A 83 20.513 15.981 -17.349 1.00 0.00 H new ATOM 984 N LEU A 84 19.037 12.206 -14.472 1.00 0.00 N ATOM 985 CA LEU A 84 19.081 11.384 -13.257 1.00 0.00 C ATOM 986 C LEU A 84 18.232 10.110 -13.387 1.00 0.00 C ATOM 987 O LEU A 84 18.709 9.018 -13.068 1.00 0.00 O ATOM 988 CB LEU A 84 18.668 12.275 -12.064 1.00 0.00 C ATOM 989 CG LEU A 84 18.670 11.680 -10.643 1.00 0.00 C ATOM 990 CD1 LEU A 84 17.432 10.835 -10.331 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.932 10.872 -10.352 1.00 0.00 C ATOM 0 H LEU A 84 18.632 13.128 -14.311 1.00 0.00 H new ATOM 0 HA LEU A 84 20.094 11.017 -13.090 1.00 0.00 H new ATOM 0 HB2 LEU A 84 19.330 13.141 -12.057 1.00 0.00 H new ATOM 0 HB3 LEU A 84 17.662 12.644 -12.263 1.00 0.00 H new ATOM 0 HG LEU A 84 18.649 12.548 -9.984 1.00 0.00 H new ATOM 0 HD11 LEU A 84 17.502 10.449 -9.314 1.00 0.00 H new ATOM 0 HD12 LEU A 84 16.538 11.451 -10.424 1.00 0.00 H new ATOM 0 HD13 LEU A 84 17.374 10.002 -11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.884 10.475 -9.338 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.008 10.048 -11.062 1.00 0.00 H new ATOM 0 HD23 LEU A 84 20.806 11.516 -10.448 1.00 0.00 H new ATOM 1003 N LEU A 85 16.998 10.221 -13.893 1.00 0.00 N ATOM 1004 CA LEU A 85 16.122 9.061 -14.105 1.00 0.00 C ATOM 1005 C LEU A 85 16.547 8.203 -15.304 1.00 0.00 C ATOM 1006 O LEU A 85 16.246 7.011 -15.355 1.00 0.00 O ATOM 1007 CB LEU A 85 14.647 9.516 -14.103 1.00 0.00 C ATOM 1008 CG LEU A 85 13.969 9.871 -15.435 1.00 0.00 C ATOM 1009 CD1 LEU A 85 13.249 8.651 -16.009 1.00 0.00 C ATOM 1010 CD2 LEU A 85 12.891 10.936 -15.238 1.00 0.00 C ATOM 0 H LEU A 85 16.580 11.111 -14.166 1.00 0.00 H new ATOM 0 HA LEU A 85 16.230 8.370 -13.269 1.00 0.00 H new ATOM 0 HB2 LEU A 85 14.060 8.724 -13.637 1.00 0.00 H new ATOM 0 HB3 LEU A 85 14.574 10.390 -13.455 1.00 0.00 H new ATOM 0 HG LEU A 85 14.756 10.227 -16.099 1.00 0.00 H new ATOM 0 HD11 LEU A 85 12.774 8.919 -16.953 1.00 0.00 H new ATOM 0 HD12 LEU A 85 13.969 7.851 -16.180 1.00 0.00 H new ATOM 0 HD13 LEU A 85 12.490 8.312 -15.304 1.00 0.00 H new ATOM 0 HD21 LEU A 85 12.428 11.167 -16.197 1.00 0.00 H new ATOM 0 HD22 LEU A 85 12.132 10.563 -14.550 1.00 0.00 H new ATOM 0 HD23 LEU A 85 13.342 11.839 -14.826 1.00 0.00 H new ATOM 1022 N GLY A 86 17.281 8.800 -16.244 1.00 0.00 N ATOM 1023 CA GLY A 86 17.862 8.121 -17.406 1.00 0.00 C ATOM 1024 C GLY A 86 16.922 8.048 -18.612 1.00 0.00 C ATOM 1025 O GLY A 86 17.315 7.536 -19.661 1.00 0.00 O ATOM 0 H GLY A 86 17.494 9.797 -16.218 1.00 0.00 H new ATOM 0 HA2 GLY A 86 18.775 8.640 -17.699 1.00 0.00 H new ATOM 0 HA3 GLY A 86 18.148 7.109 -17.118 1.00 0.00 H new ATOM 1029 N ARG A 87 15.702 8.594 -18.484 1.00 0.00 N ATOM 1030 CA ARG A 87 14.751 8.810 -19.589 1.00 0.00 C ATOM 1031 C ARG A 87 14.321 10.274 -19.578 1.00 0.00 C ATOM 1032 O ARG A 87 13.827 10.767 -18.570 1.00 0.00 O ATOM 1033 CB ARG A 87 13.539 7.852 -19.472 1.00 0.00 C ATOM 1034 CG ARG A 87 13.357 6.918 -20.678 1.00 0.00 C ATOM 1035 CD ARG A 87 14.415 5.809 -20.715 1.00 0.00 C ATOM 1036 NE ARG A 87 14.182 4.885 -21.843 1.00 0.00 N ATOM 1037 CZ ARG A 87 14.979 3.909 -22.245 1.00 0.00 C ATOM 1038 NH1 ARG A 87 16.114 3.653 -21.656 1.00 0.00 N ATOM 1039 NH2 ARG A 87 14.647 3.163 -23.259 1.00 0.00 N ATOM 0 H ARG A 87 15.339 8.907 -17.584 1.00 0.00 H new ATOM 0 HA ARG A 87 15.231 8.587 -20.542 1.00 0.00 H new ATOM 0 HB2 ARG A 87 13.653 7.247 -18.572 1.00 0.00 H new ATOM 0 HB3 ARG A 87 12.633 8.444 -19.345 1.00 0.00 H new ATOM 0 HG2 ARG A 87 12.364 6.470 -20.642 1.00 0.00 H new ATOM 0 HG3 ARG A 87 13.411 7.500 -21.598 1.00 0.00 H new ATOM 0 HD2 ARG A 87 15.407 6.252 -20.804 1.00 0.00 H new ATOM 0 HD3 ARG A 87 14.396 5.254 -19.777 1.00 0.00 H new ATOM 0 HE ARG A 87 13.316 5.013 -22.367 1.00 0.00 H new ATOM 0 HH11 ARG A 87 16.412 4.214 -20.858 1.00 0.00 H new ATOM 0 HH12 ARG A 87 16.703 2.892 -21.993 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.768 3.330 -23.748 1.00 0.00 H new ATOM 0 HH22 ARG A 87 15.266 2.412 -23.564 1.00 0.00 H new ATOM 1053 N GLN A 88 14.490 10.973 -20.697 1.00 0.00 N ATOM 1054 CA GLN A 88 14.102 12.385 -20.812 1.00 0.00 C ATOM 1055 C GLN A 88 12.611 12.559 -21.167 1.00 0.00 C ATOM 1056 O GLN A 88 12.110 13.681 -21.174 1.00 0.00 O ATOM 1057 CB GLN A 88 15.062 13.122 -21.759 1.00 0.00 C ATOM 1058 CG GLN A 88 16.493 13.279 -21.200 1.00 0.00 C ATOM 1059 CD GLN A 88 17.344 12.011 -21.319 1.00 0.00 C ATOM 1060 OE1 GLN A 88 17.755 11.614 -22.401 1.00 0.00 O ATOM 1061 NE2 GLN A 88 17.627 11.301 -20.242 1.00 0.00 N ATOM 0 H GLN A 88 14.897 10.584 -21.548 1.00 0.00 H new ATOM 0 HA GLN A 88 14.201 12.855 -19.834 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.109 12.583 -22.705 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.656 14.110 -21.975 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.992 14.092 -21.728 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.434 13.569 -20.151 1.00 0.00 H new ATOM 0 HE21 GLN A 88 17.297 11.609 -19.327 1.00 0.00 H new ATOM 0 HE22 GLN A 88 18.176 10.445 -20.325 1.00 0.00 H new ATOM 1070 N SER A 89 11.876 11.465 -21.392 1.00 0.00 N ATOM 1071 CA SER A 89 10.413 11.461 -21.528 1.00 0.00 C ATOM 1072 C SER A 89 9.786 10.141 -21.054 1.00 0.00 C ATOM 1073 O SER A 89 10.330 9.059 -21.286 1.00 0.00 O ATOM 1074 CB SER A 89 10.017 11.794 -22.976 1.00 0.00 C ATOM 1075 OG SER A 89 10.586 10.899 -23.927 1.00 0.00 O ATOM 0 H SER A 89 12.289 10.537 -21.487 1.00 0.00 H new ATOM 0 HA SER A 89 10.013 12.236 -20.874 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.931 11.768 -23.065 1.00 0.00 H new ATOM 0 HB3 SER A 89 10.332 12.811 -23.208 1.00 0.00 H new ATOM 0 HG SER A 89 10.301 11.155 -24.829 1.00 0.00 H new ATOM 1081 N PHE A 90 8.643 10.242 -20.372 1.00 0.00 N ATOM 1082 CA PHE A 90 7.832 9.129 -19.849 1.00 0.00 C ATOM 1083 C PHE A 90 6.376 9.593 -19.653 1.00 0.00 C ATOM 1084 O PHE A 90 6.099 10.792 -19.683 1.00 0.00 O ATOM 1085 CB PHE A 90 8.432 8.602 -18.527 1.00 0.00 C ATOM 1086 CG PHE A 90 8.449 9.603 -17.383 1.00 0.00 C ATOM 1087 CD1 PHE A 90 9.541 10.479 -17.224 1.00 0.00 C ATOM 1088 CD2 PHE A 90 7.364 9.675 -16.486 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.536 11.436 -16.194 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.359 10.634 -15.458 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.442 11.519 -15.315 1.00 0.00 C ATOM 0 H PHE A 90 8.232 11.150 -20.156 1.00 0.00 H new ATOM 0 HA PHE A 90 7.839 8.310 -20.568 1.00 0.00 H new ATOM 0 HB2 PHE A 90 7.866 7.725 -18.213 1.00 0.00 H new ATOM 0 HB3 PHE A 90 9.453 8.272 -18.716 1.00 0.00 H new ATOM 0 HD1 PHE A 90 10.385 10.415 -17.895 1.00 0.00 H new ATOM 0 HD2 PHE A 90 6.534 8.991 -16.589 1.00 0.00 H new ATOM 0 HE1 PHE A 90 10.373 12.108 -16.078 1.00 0.00 H new ATOM 0 HE2 PHE A 90 6.522 10.691 -14.777 1.00 0.00 H new ATOM 0 HZ PHE A 90 8.434 12.262 -14.531 1.00 0.00 H new ATOM 1101 N SER A 91 5.444 8.663 -19.434 1.00 0.00 N ATOM 1102 CA SER A 91 4.025 8.964 -19.176 1.00 0.00 C ATOM 1103 C SER A 91 3.606 8.546 -17.768 1.00 0.00 C ATOM 1104 O SER A 91 4.103 7.556 -17.232 1.00 0.00 O ATOM 1105 CB SER A 91 3.148 8.261 -20.217 1.00 0.00 C ATOM 1106 OG SER A 91 1.770 8.444 -19.931 1.00 0.00 O ATOM 0 H SER A 91 5.652 7.664 -19.430 1.00 0.00 H new ATOM 0 HA SER A 91 3.891 10.043 -19.253 1.00 0.00 H new ATOM 0 HB2 SER A 91 3.372 8.652 -21.209 1.00 0.00 H new ATOM 0 HB3 SER A 91 3.381 7.196 -20.234 1.00 0.00 H new ATOM 0 HG SER A 91 1.231 7.987 -20.611 1.00 0.00 H new ATOM 1112 N VAL A 92 2.617 9.236 -17.195 1.00 0.00 N ATOM 1113 CA VAL A 92 1.942 8.812 -15.948 1.00 0.00 C ATOM 1114 C VAL A 92 1.221 7.459 -16.110 1.00 0.00 C ATOM 1115 O VAL A 92 0.960 6.778 -15.117 1.00 0.00 O ATOM 1116 CB VAL A 92 0.948 9.883 -15.457 1.00 0.00 C ATOM 1117 CG1 VAL A 92 1.674 11.193 -15.136 1.00 0.00 C ATOM 1118 CG2 VAL A 92 -0.182 10.124 -16.456 1.00 0.00 C ATOM 0 H VAL A 92 2.254 10.109 -17.578 1.00 0.00 H new ATOM 0 HA VAL A 92 2.724 8.689 -15.199 1.00 0.00 H new ATOM 0 HB VAL A 92 0.494 9.502 -14.543 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.953 11.934 -14.792 1.00 0.00 H new ATOM 0 HG12 VAL A 92 2.414 11.017 -14.355 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.173 11.562 -16.032 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -0.856 10.886 -16.066 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.237 10.461 -17.404 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -0.734 9.197 -16.612 1.00 0.00 H new ATOM 1128 N LYS A 93 0.939 7.048 -17.360 1.00 0.00 N ATOM 1129 CA LYS A 93 0.390 5.731 -17.738 1.00 0.00 C ATOM 1130 C LYS A 93 1.467 4.704 -18.142 1.00 0.00 C ATOM 1131 O LYS A 93 1.139 3.548 -18.409 1.00 0.00 O ATOM 1132 CB LYS A 93 -0.672 5.906 -18.843 1.00 0.00 C ATOM 1133 CG LYS A 93 -1.806 6.860 -18.428 1.00 0.00 C ATOM 1134 CD LYS A 93 -3.019 6.869 -19.375 1.00 0.00 C ATOM 1135 CE LYS A 93 -2.725 7.399 -20.790 1.00 0.00 C ATOM 1136 NZ LYS A 93 -2.438 6.312 -21.771 1.00 0.00 N ATOM 0 H LYS A 93 1.094 7.650 -18.169 1.00 0.00 H new ATOM 0 HA LYS A 93 -0.080 5.313 -16.848 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -0.193 6.287 -19.745 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -1.094 4.933 -19.093 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -2.145 6.587 -17.429 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -1.406 7.872 -18.363 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -3.408 5.854 -19.455 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -3.806 7.478 -18.930 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -3.579 7.980 -21.139 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -1.873 8.078 -20.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -2.248 6.728 -22.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -1.607 5.772 -21.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -3.259 5.677 -21.836 1.00 0.00 H new ATOM 1150 N ASP A 94 2.741 5.107 -18.174 1.00 0.00 N ATOM 1151 CA ASP A 94 3.905 4.248 -18.447 1.00 0.00 C ATOM 1152 C ASP A 94 5.137 4.634 -17.578 1.00 0.00 C ATOM 1153 O ASP A 94 6.190 4.994 -18.114 1.00 0.00 O ATOM 1154 CB ASP A 94 4.195 4.278 -19.961 1.00 0.00 C ATOM 1155 CG ASP A 94 5.242 3.235 -20.396 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.181 2.074 -19.925 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.097 3.555 -21.257 1.00 0.00 O ATOM 0 H ASP A 94 3.003 6.078 -18.004 1.00 0.00 H new ATOM 0 HA ASP A 94 3.677 3.222 -18.160 1.00 0.00 H new ATOM 0 HB2 ASP A 94 3.268 4.102 -20.506 1.00 0.00 H new ATOM 0 HB3 ASP A 94 4.544 5.273 -20.238 1.00 0.00 H new ATOM 1162 N PRO A 95 5.030 4.594 -16.231 1.00 0.00 N ATOM 1163 CA PRO A 95 6.060 5.064 -15.290 1.00 0.00 C ATOM 1164 C PRO A 95 7.226 4.074 -15.077 1.00 0.00 C ATOM 1165 O PRO A 95 7.889 4.107 -14.041 1.00 0.00 O ATOM 1166 CB PRO A 95 5.284 5.358 -13.999 1.00 0.00 C ATOM 1167 CG PRO A 95 4.220 4.264 -14.006 1.00 0.00 C ATOM 1168 CD PRO A 95 3.842 4.193 -15.482 1.00 0.00 C ATOM 0 HA PRO A 95 6.575 5.943 -15.679 1.00 0.00 H new ATOM 0 HB2 PRO A 95 5.923 5.299 -13.118 1.00 0.00 H new ATOM 0 HB3 PRO A 95 4.843 6.355 -14.007 1.00 0.00 H new ATOM 0 HG2 PRO A 95 4.610 3.314 -13.639 1.00 0.00 H new ATOM 0 HG3 PRO A 95 3.367 4.522 -13.379 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.532 3.184 -15.756 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.003 4.854 -15.701 1.00 0.00 H new ATOM 1176 N SER A 96 7.511 3.184 -16.029 1.00 0.00 N ATOM 1177 CA SER A 96 8.543 2.139 -15.893 1.00 0.00 C ATOM 1178 C SER A 96 9.947 2.679 -15.548 1.00 0.00 C ATOM 1179 O SER A 96 10.524 2.204 -14.566 1.00 0.00 O ATOM 1180 CB SER A 96 8.587 1.252 -17.145 1.00 0.00 C ATOM 1181 OG SER A 96 7.332 0.610 -17.326 1.00 0.00 O ATOM 0 H SER A 96 7.030 3.163 -16.928 1.00 0.00 H new ATOM 0 HA SER A 96 8.244 1.537 -15.035 1.00 0.00 H new ATOM 0 HB2 SER A 96 8.827 1.855 -18.021 1.00 0.00 H new ATOM 0 HB3 SER A 96 9.376 0.506 -17.046 1.00 0.00 H new ATOM 0 HG SER A 96 7.365 0.047 -18.127 1.00 0.00 H new ATOM 1187 N PRO A 97 10.502 3.701 -16.244 1.00 0.00 N ATOM 1188 CA PRO A 97 11.794 4.286 -15.862 1.00 0.00 C ATOM 1189 C PRO A 97 11.712 5.139 -14.581 1.00 0.00 C ATOM 1190 O PRO A 97 12.716 5.313 -13.890 1.00 0.00 O ATOM 1191 CB PRO A 97 12.225 5.113 -17.074 1.00 0.00 C ATOM 1192 CG PRO A 97 10.901 5.566 -17.683 1.00 0.00 C ATOM 1193 CD PRO A 97 10.010 4.345 -17.463 1.00 0.00 C ATOM 0 HA PRO A 97 12.519 3.511 -15.615 1.00 0.00 H new ATOM 0 HB2 PRO A 97 12.844 5.961 -16.782 1.00 0.00 H new ATOM 0 HB3 PRO A 97 12.809 4.520 -17.778 1.00 0.00 H new ATOM 0 HG2 PRO A 97 10.507 6.453 -17.186 1.00 0.00 H new ATOM 0 HG3 PRO A 97 11.002 5.811 -18.740 1.00 0.00 H new ATOM 0 HD2 PRO A 97 8.966 4.638 -17.355 1.00 0.00 H new ATOM 0 HD3 PRO A 97 10.064 3.665 -18.313 1.00 0.00 H new ATOM 1201 N LEU A 98 10.521 5.643 -14.228 1.00 0.00 N ATOM 1202 CA LEU A 98 10.285 6.428 -13.011 1.00 0.00 C ATOM 1203 C LEU A 98 10.397 5.545 -11.758 1.00 0.00 C ATOM 1204 O LEU A 98 11.126 5.889 -10.830 1.00 0.00 O ATOM 1205 CB LEU A 98 8.910 7.119 -13.126 1.00 0.00 C ATOM 1206 CG LEU A 98 8.580 8.112 -11.999 1.00 0.00 C ATOM 1207 CD1 LEU A 98 9.445 9.367 -12.094 1.00 0.00 C ATOM 1208 CD2 LEU A 98 7.110 8.518 -12.111 1.00 0.00 C ATOM 0 H LEU A 98 9.681 5.513 -14.791 1.00 0.00 H new ATOM 0 HA LEU A 98 11.050 7.198 -12.908 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.865 7.647 -14.078 1.00 0.00 H new ATOM 0 HB3 LEU A 98 8.136 6.351 -13.150 1.00 0.00 H new ATOM 0 HG LEU A 98 8.778 7.626 -11.044 1.00 0.00 H new ATOM 0 HD11 LEU A 98 9.187 10.049 -11.283 1.00 0.00 H new ATOM 0 HD12 LEU A 98 10.497 9.091 -12.016 1.00 0.00 H new ATOM 0 HD13 LEU A 98 9.269 9.858 -13.051 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.865 9.222 -11.316 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.935 8.988 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 98 6.480 7.633 -12.018 1.00 0.00 H new ATOM 1220 N TYR A 99 9.758 4.370 -11.748 1.00 0.00 N ATOM 1221 CA TYR A 99 9.942 3.388 -10.671 1.00 0.00 C ATOM 1222 C TYR A 99 11.365 2.827 -10.625 1.00 0.00 C ATOM 1223 O TYR A 99 11.897 2.617 -9.534 1.00 0.00 O ATOM 1224 CB TYR A 99 8.924 2.250 -10.795 1.00 0.00 C ATOM 1225 CG TYR A 99 7.557 2.622 -10.248 1.00 0.00 C ATOM 1226 CD1 TYR A 99 7.372 2.713 -8.853 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.485 2.900 -11.117 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.121 3.087 -8.327 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.230 3.273 -10.593 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.045 3.368 -9.196 1.00 0.00 C ATOM 1231 OH TYR A 99 3.836 3.727 -8.678 1.00 0.00 O ATOM 0 H TYR A 99 9.107 4.074 -12.475 1.00 0.00 H new ATOM 0 HA TYR A 99 9.774 3.916 -9.732 1.00 0.00 H new ATOM 0 HB2 TYR A 99 8.827 1.968 -11.843 1.00 0.00 H new ATOM 0 HB3 TYR A 99 9.297 1.375 -10.263 1.00 0.00 H new ATOM 0 HD1 TYR A 99 8.193 2.495 -8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.624 2.828 -12.186 1.00 0.00 H new ATOM 0 HE1 TYR A 99 5.985 3.159 -7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.409 3.486 -11.261 1.00 0.00 H new ATOM 0 HH TYR A 99 3.202 3.887 -9.408 1.00 0.00 H new ATOM 1241 N ASP A 100 12.009 2.634 -11.780 1.00 0.00 N ATOM 1242 CA ASP A 100 13.391 2.152 -11.838 1.00 0.00 C ATOM 1243 C ASP A 100 14.366 3.133 -11.186 1.00 0.00 C ATOM 1244 O ASP A 100 15.192 2.724 -10.367 1.00 0.00 O ATOM 1245 CB ASP A 100 13.786 1.879 -13.293 1.00 0.00 C ATOM 1246 CG ASP A 100 15.033 0.986 -13.391 1.00 0.00 C ATOM 1247 OD1 ASP A 100 14.976 -0.189 -12.957 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.076 1.452 -13.907 1.00 0.00 O ATOM 0 H ASP A 100 11.590 2.806 -12.694 1.00 0.00 H new ATOM 0 HA ASP A 100 13.447 1.223 -11.271 1.00 0.00 H new ATOM 0 HB2 ASP A 100 12.955 1.400 -13.811 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.976 2.824 -13.801 1.00 0.00 H new ATOM 1253 N MET A 101 14.239 4.437 -11.468 1.00 0.00 N ATOM 1254 CA MET A 101 14.930 5.474 -10.770 1.00 0.00 C ATOM 1255 C MET A 101 14.623 5.468 -9.278 1.00 0.00 C ATOM 1256 O MET A 101 15.564 5.410 -8.493 1.00 0.00 O ATOM 1257 CB MET A 101 14.428 6.757 -11.426 1.00 0.00 C ATOM 1258 CG MET A 101 15.118 7.944 -10.812 1.00 0.00 C ATOM 1259 SD MET A 101 14.493 8.641 -9.255 1.00 0.00 S ATOM 1260 CE MET A 101 12.956 9.379 -9.861 1.00 0.00 C ATOM 0 H MET A 101 13.632 4.785 -12.210 1.00 0.00 H new ATOM 0 HA MET A 101 16.012 5.356 -10.835 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.620 6.727 -12.499 1.00 0.00 H new ATOM 0 HB3 MET A 101 13.349 6.845 -11.297 1.00 0.00 H new ATOM 0 HG2 MET A 101 16.160 7.668 -10.650 1.00 0.00 H new ATOM 0 HG3 MET A 101 15.112 8.744 -11.553 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.485 9.948 -9.060 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.176 10.043 -10.697 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.280 8.591 -10.192 1.00 0.00 H new ATOM 1270 N LEU A 102 13.352 5.431 -8.871 1.00 0.00 N ATOM 1271 CA LEU A 102 12.977 5.534 -7.458 1.00 0.00 C ATOM 1272 C LEU A 102 13.662 4.415 -6.665 1.00 0.00 C ATOM 1273 O LEU A 102 14.481 4.705 -5.795 1.00 0.00 O ATOM 1274 CB LEU A 102 11.438 5.523 -7.329 1.00 0.00 C ATOM 1275 CG LEU A 102 10.760 6.839 -7.768 1.00 0.00 C ATOM 1276 CD1 LEU A 102 9.264 6.620 -7.990 1.00 0.00 C ATOM 1277 CD2 LEU A 102 10.912 7.949 -6.727 1.00 0.00 C ATOM 0 H LEU A 102 12.560 5.330 -9.505 1.00 0.00 H new ATOM 0 HA LEU A 102 13.320 6.477 -7.033 1.00 0.00 H new ATOM 0 HB2 LEU A 102 11.040 4.704 -7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 102 11.172 5.318 -6.292 1.00 0.00 H new ATOM 0 HG LEU A 102 11.256 7.143 -8.690 1.00 0.00 H new ATOM 0 HD11 LEU A 102 8.801 7.557 -8.299 1.00 0.00 H new ATOM 0 HD12 LEU A 102 9.117 5.869 -8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 102 8.805 6.277 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 102 10.418 8.853 -7.084 1.00 0.00 H new ATOM 0 HD22 LEU A 102 10.456 7.633 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 102 11.970 8.154 -6.565 1.00 0.00 H new ATOM 1289 N ARG A 103 13.480 3.156 -7.078 1.00 0.00 N ATOM 1290 CA ARG A 103 14.068 1.969 -6.428 1.00 0.00 C ATOM 1291 C ARG A 103 15.605 1.983 -6.332 1.00 0.00 C ATOM 1292 O ARG A 103 16.139 1.280 -5.471 1.00 0.00 O ATOM 1293 CB ARG A 103 13.576 0.704 -7.155 1.00 0.00 C ATOM 1294 CG ARG A 103 12.083 0.436 -6.900 1.00 0.00 C ATOM 1295 CD ARG A 103 11.608 -0.781 -7.701 1.00 0.00 C ATOM 1296 NE ARG A 103 10.178 -1.065 -7.458 1.00 0.00 N ATOM 1297 CZ ARG A 103 9.477 -2.066 -7.965 1.00 0.00 C ATOM 1298 NH1 ARG A 103 10.002 -2.941 -8.775 1.00 0.00 N ATOM 1299 NH2 ARG A 103 8.217 -2.209 -7.663 1.00 0.00 N ATOM 0 H ARG A 103 12.908 2.924 -7.890 1.00 0.00 H new ATOM 0 HA ARG A 103 13.727 1.979 -5.393 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.747 0.812 -8.226 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.160 -0.155 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.915 0.266 -5.837 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.498 1.312 -7.179 1.00 0.00 H new ATOM 0 HD2 ARG A 103 11.769 -0.603 -8.764 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.204 -1.652 -7.429 1.00 0.00 H new ATOM 0 HE ARG A 103 9.682 -0.425 -6.837 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.985 -2.867 -9.038 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.430 -3.700 -9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.765 -1.547 -7.032 1.00 0.00 H new ATOM 0 HH22 ARG A 103 7.683 -2.983 -8.058 1.00 0.00 H new ATOM 1313 N LYS A 104 16.321 2.771 -7.158 1.00 0.00 N ATOM 1314 CA LYS A 104 17.788 2.965 -7.053 1.00 0.00 C ATOM 1315 C LYS A 104 18.249 4.315 -6.473 1.00 0.00 C ATOM 1316 O LYS A 104 19.441 4.494 -6.230 1.00 0.00 O ATOM 1317 CB LYS A 104 18.461 2.569 -8.381 1.00 0.00 C ATOM 1318 CG LYS A 104 18.544 3.684 -9.435 1.00 0.00 C ATOM 1319 CD LYS A 104 19.127 3.204 -10.774 1.00 0.00 C ATOM 1320 CE LYS A 104 18.103 2.366 -11.549 1.00 0.00 C ATOM 1321 NZ LYS A 104 18.607 1.950 -12.885 1.00 0.00 N ATOM 0 H LYS A 104 15.898 3.296 -7.923 1.00 0.00 H new ATOM 0 HA LYS A 104 18.140 2.284 -6.278 1.00 0.00 H new ATOM 0 HB2 LYS A 104 19.471 2.219 -8.167 1.00 0.00 H new ATOM 0 HB3 LYS A 104 17.916 1.728 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.547 4.091 -9.604 1.00 0.00 H new ATOM 0 HG3 LYS A 104 19.159 4.497 -9.048 1.00 0.00 H new ATOM 0 HD2 LYS A 104 19.427 4.064 -11.373 1.00 0.00 H new ATOM 0 HD3 LYS A 104 20.024 2.612 -10.593 1.00 0.00 H new ATOM 0 HE2 LYS A 104 17.848 1.480 -10.968 1.00 0.00 H new ATOM 0 HE3 LYS A 104 17.185 2.941 -11.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 17.804 1.694 -13.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 19.134 2.736 -13.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 19.236 1.129 -12.778 1.00 0.00 H new ATOM 1335 N ASN A 105 17.332 5.261 -6.242 1.00 0.00 N ATOM 1336 CA ASN A 105 17.606 6.624 -5.723 1.00 0.00 C ATOM 1337 C ASN A 105 16.965 6.904 -4.365 1.00 0.00 C ATOM 1338 O ASN A 105 17.116 7.978 -3.794 1.00 0.00 O ATOM 1339 CB ASN A 105 17.081 7.651 -6.725 1.00 0.00 C ATOM 1340 CG ASN A 105 18.016 7.796 -7.895 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.884 8.650 -7.948 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.871 6.888 -8.816 1.00 0.00 N ATOM 0 H ASN A 105 16.339 5.102 -6.415 1.00 0.00 H new ATOM 0 HA ASN A 105 18.686 6.696 -5.590 1.00 0.00 H new ATOM 0 HB2 ASN A 105 16.096 7.347 -7.079 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.959 8.615 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.497 6.873 -9.621 1.00 0.00 H new ATOM 0 HD22 ASN A 105 17.131 6.191 -8.733 1.00 0.00 H new ATOM 1349 N LEU A 106 16.204 5.948 -3.883 1.00 0.00 N ATOM 1350 CA LEU A 106 15.660 5.896 -2.524 1.00 0.00 C ATOM 1351 C LEU A 106 15.356 4.464 -2.056 1.00 0.00 C ATOM 1352 O LEU A 106 15.176 3.553 -2.867 1.00 0.00 O ATOM 1353 CB LEU A 106 14.456 6.861 -2.396 1.00 0.00 C ATOM 1354 CG LEU A 106 13.345 6.833 -3.470 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.475 5.583 -3.418 1.00 0.00 C ATOM 1356 CD2 LEU A 106 12.446 8.045 -3.231 1.00 0.00 C ATOM 0 H LEU A 106 15.928 5.143 -4.445 1.00 0.00 H new ATOM 0 HA LEU A 106 16.430 6.244 -1.835 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.984 6.670 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 106 14.852 7.876 -2.361 1.00 0.00 H new ATOM 0 HG LEU A 106 13.830 6.843 -4.446 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.718 5.634 -4.201 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.096 4.701 -3.571 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.987 5.519 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.648 8.058 -3.973 1.00 0.00 H new ATOM 0 HD22 LEU A 106 12.012 7.985 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.036 8.958 -3.316 1.00 0.00 H new ATOM 1368 N VAL A 107 15.317 4.259 -0.734 1.00 0.00 N ATOM 1369 CA VAL A 107 14.811 3.002 -0.150 1.00 0.00 C ATOM 1370 C VAL A 107 13.310 2.891 -0.417 1.00 0.00 C ATOM 1371 O VAL A 107 12.617 3.905 -0.479 1.00 0.00 O ATOM 1372 CB VAL A 107 15.096 2.847 1.358 1.00 0.00 C ATOM 1373 CG1 VAL A 107 16.602 2.890 1.639 1.00 0.00 C ATOM 1374 CG2 VAL A 107 14.371 3.876 2.231 1.00 0.00 C ATOM 0 H VAL A 107 15.628 4.944 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 107 15.354 2.191 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 107 14.699 1.869 1.632 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.776 2.779 2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 107 17.095 2.078 1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 107 17.008 3.844 1.303 1.00 0.00 H new ATOM 0 HG21 VAL A 107 14.620 3.704 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.682 4.880 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 107 13.294 3.776 2.093 1.00 0.00 H new ATOM 1384 N THR A 108 12.799 1.671 -0.566 1.00 0.00 N ATOM 1385 CA THR A 108 11.403 1.392 -0.940 1.00 0.00 C ATOM 1386 C THR A 108 10.398 2.144 -0.049 1.00 0.00 C ATOM 1387 O THR A 108 10.287 1.866 1.148 1.00 0.00 O ATOM 1388 CB THR A 108 11.159 -0.121 -0.846 1.00 0.00 C ATOM 1389 OG1 THR A 108 12.130 -0.808 -1.616 1.00 0.00 O ATOM 1390 CG2 THR A 108 9.788 -0.520 -1.397 1.00 0.00 C ATOM 0 H THR A 108 13.352 0.825 -0.428 1.00 0.00 H new ATOM 0 HA THR A 108 11.247 1.743 -1.960 1.00 0.00 H new ATOM 0 HB THR A 108 11.215 -0.384 0.210 1.00 0.00 H new ATOM 0 HG1 THR A 108 11.974 -1.773 -1.553 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.661 -1.599 -1.309 1.00 0.00 H new ATOM 0 HG22 THR A 108 9.007 -0.015 -0.829 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.719 -0.230 -2.446 1.00 0.00 H new ATOM 1398 N LEU A 109 9.652 3.091 -0.633 1.00 0.00 N ATOM 1399 CA LEU A 109 8.597 3.858 0.048 1.00 0.00 C ATOM 1400 C LEU A 109 7.206 3.254 -0.233 1.00 0.00 C ATOM 1401 O LEU A 109 6.984 2.653 -1.287 1.00 0.00 O ATOM 1402 CB LEU A 109 8.650 5.350 -0.346 1.00 0.00 C ATOM 1403 CG LEU A 109 9.992 6.089 -0.208 1.00 0.00 C ATOM 1404 CD1 LEU A 109 9.810 7.574 -0.517 1.00 0.00 C ATOM 1405 CD2 LEU A 109 10.581 5.987 1.196 1.00 0.00 C ATOM 0 H LEU A 109 9.766 3.352 -1.612 1.00 0.00 H new ATOM 0 HA LEU A 109 8.777 3.794 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 109 8.330 5.432 -1.385 1.00 0.00 H new ATOM 0 HB3 LEU A 109 7.914 5.881 0.258 1.00 0.00 H new ATOM 0 HG LEU A 109 10.672 5.612 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 109 10.767 8.087 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 109 9.441 7.691 -1.536 1.00 0.00 H new ATOM 0 HD13 LEU A 109 9.092 8.005 0.180 1.00 0.00 H new ATOM 0 HD21 LEU A 109 11.527 6.527 1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 109 9.886 6.422 1.915 1.00 0.00 H new ATOM 0 HD23 LEU A 109 10.751 4.939 1.444 1.00 0.00 H new ATOM 1417 N ALA A 110 6.265 3.432 0.700 1.00 0.00 N ATOM 1418 CA ALA A 110 4.904 2.885 0.619 1.00 0.00 C ATOM 1419 C ALA A 110 3.856 3.773 1.320 1.00 0.00 C ATOM 1420 O ALA A 110 4.195 4.677 2.089 1.00 0.00 O ATOM 1421 CB ALA A 110 4.931 1.463 1.204 1.00 0.00 C ATOM 0 H ALA A 110 6.430 3.971 1.550 1.00 0.00 H new ATOM 0 HA ALA A 110 4.594 2.857 -0.426 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.931 1.031 1.157 1.00 0.00 H new ATOM 0 HB2 ALA A 110 5.621 0.846 0.628 1.00 0.00 H new ATOM 0 HB3 ALA A 110 5.260 1.503 2.242 1.00 0.00 H new ATOM 1427 N THR A 111 2.575 3.518 1.034 1.00 0.00 N ATOM 1428 CA THR A 111 1.417 4.275 1.552 1.00 0.00 C ATOM 1429 C THR A 111 0.161 3.410 1.714 1.00 0.00 C ATOM 1430 O THR A 111 0.045 2.321 1.130 1.00 0.00 O ATOM 1431 CB THR A 111 1.119 5.489 0.656 1.00 0.00 C ATOM 1432 OG1 THR A 111 0.049 6.225 1.211 1.00 0.00 O ATOM 1433 CG2 THR A 111 0.757 5.142 -0.792 1.00 0.00 C ATOM 0 H THR A 111 2.300 2.755 0.416 1.00 0.00 H new ATOM 0 HA THR A 111 1.693 4.621 2.548 1.00 0.00 H new ATOM 0 HB THR A 111 2.046 6.062 0.621 1.00 0.00 H new ATOM 0 HG1 THR A 111 -0.143 7.001 0.644 1.00 0.00 H new ATOM 0 HG21 THR A 111 0.563 6.059 -1.348 1.00 0.00 H new ATOM 0 HG22 THR A 111 1.584 4.604 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 111 -0.135 4.515 -0.804 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 48L A 200 -0.324 12.047 -11.028 1.00 0.00 N HETATM 1443 CG1 48L A 200 2.832 13.007 -10.448 1.00 0.00 C HETATM 1444 CG2 48L A 200 1.360 10.641 -9.718 1.00 0.00 C HETATM 1445 CG3 48L A 200 -0.653 13.503 -12.927 1.00 0.00 C HETATM 1446 CD1 48L A 200 3.073 12.641 -11.778 1.00 0.00 C HETATM 1447 CD2 48L A 200 3.915 13.152 -9.582 1.00 0.00 C HETATM 1448 CD3 48L A 200 1.654 9.871 -10.849 1.00 0.00 C HETATM 1449 CD4 48L A 200 1.853 10.229 -8.475 1.00 0.00 C HETATM 1450 CD5 48L A 200 -1.678 12.715 -13.469 1.00 0.00 C HETATM 1451 CD6 48L A 200 -0.097 14.512 -13.731 1.00 0.00 C HETATM 1452 CE1 48L A 200 4.372 12.386 -12.219 1.00 0.00 C HETATM 1453 CE2 48L A 200 5.210 12.889 -10.018 1.00 0.00 C HETATM 1454 CE3 48L A 200 2.614 9.067 -8.357 1.00 0.00 C HETATM 1455 CE4 48L A 200 2.432 8.721 -10.730 1.00 0.00 C HETATM 1456 CE5 48L A 200 -2.218 13.009 -14.718 1.00 0.00 C HETATM 1457 CE6 48L A 200 -0.655 14.816 -14.972 1.00 0.00 C HETATM 1458 CZ1 48L A 200 5.439 12.501 -11.333 1.00 0.00 C HETATM 1459 CZ2 48L A 200 2.910 8.309 -9.489 1.00 0.00 C HETATM 1460 CZ3 48L A 200 -1.734 14.083 -15.450 1.00 0.00 C HETATM 1461 CL 48L A 200 7.050 12.164 -11.855 1.00 0.00 CL HETATM 1462 CM1 48L A 200 -2.767 15.726 -16.938 1.00 0.00 C HETATM 1463 CM2 48L A 200 2.662 14.626 -15.112 1.00 0.00 C HETATM 1464 CM3 48L A 200 3.178 16.209 -13.209 1.00 0.00 C HETATM 1465 C1 48L A 200 -1.490 18.569 -11.172 1.00 0.00 C HETATM 1466 N1 48L A 200 -2.679 18.053 -10.831 1.00 0.00 N HETATM 1467 O1 48L A 200 -1.448 19.729 -11.538 1.00 0.00 O HETATM 1468 C2 48L A 200 -2.869 16.668 -10.397 1.00 0.00 C HETATM 1469 N2 48L A 200 -0.440 16.204 -10.882 1.00 0.00 N HETATM 1470 C3 48L A 200 -1.832 15.719 -11.024 1.00 0.00 C HETATM 1471 N3 48L A 200 0.614 14.095 -10.766 1.00 0.00 N HETATM 1472 O3 48L A 200 -2.317 14.380 -16.659 1.00 0.00 O HETATM 1473 C4 48L A 200 -0.256 17.676 -11.080 1.00 0.00 C HETATM 1474 C5 48L A 200 0.637 15.433 -10.558 1.00 0.00 C HETATM 1475 O5 48L A 200 1.610 15.957 -10.048 1.00 0.00 O HETATM 1476 C6 48L A 200 -0.210 13.221 -11.525 1.00 0.00 C HETATM 1477 O6 48L A 200 1.057 15.148 -13.323 1.00 0.00 O HETATM 1478 C7 48L A 200 0.550 11.934 -9.826 1.00 0.00 C HETATM 1479 C8 48L A 200 1.415 13.224 -9.908 1.00 0.00 C HETATM 1480 C9 48L A 200 2.086 15.703 -14.170 1.00 0.00 C HETATM 1481 BR 48L A 200 2.852 7.714 -12.279 1.00 0.00 BR HETATM 1482 F 48L A 200 1.606 10.955 -7.369 1.00 0.00 F