USER MOD reduce.3.24.130724 H: found=0, std=0, add=706, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 706 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 20 HIS : no HE2:sc= -2.74! C(o=-6.2!,f=-12!) USER MOD Set 1.2: A 54 GLN : amide:sc= -3.43! C(o=-6.2!,f=-11!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot -166:sc= 0.0115 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 98:sc= 0.811 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -176:sc= -2! USER MOD Single : A 45 ASN : amide:sc= -0.0265 K(o=-0.026,f=-2.4!) USER MOD Single : A 48 MET CE :methyl -122:sc= -0.633 (180deg=-4.16!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -2.02 K(o=-2,f=-0.39) USER MOD Single : A 59 MET CE :methyl -172:sc= -3.53! (180deg=-3.66!) USER MOD Single : A 60 ASN : amide:sc= -19.8! C(o=-20!,f=-13!) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.227 K(o=-0.23,f=0.38) USER MOD Single : A 67 THR OG1 : rot 112:sc= 0.563 USER MOD Single : A 68 MET CE :methyl -133:sc= -1.5 (180deg=-3.9!) USER MOD Single : A 70 ASN : amide:sc= -0.125 X(o=-0.12,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 104:sc= -4.92! USER MOD Single : A 73 THR OG1 : rot 3:sc= -1.29 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot -175:sc= 2.15 USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc=-0.00462 X(o=-0.0046,f=-0.24) USER MOD Single : A 89 SER OG : rot -140:sc= -1.04! USER MOD Single : A 90 ASN : amide:sc= -0.365 K(o=-0.37,f=-3.2!) USER MOD Single : A 91 HIS : no HE2:sc= -4.06! C(o=-4.1!,f=-4.5!) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.109 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 12 -16.241 12.231 -8.031 1.00 0.00 N ATOM 2 CA SER A 12 -16.532 12.398 -6.583 1.00 0.00 C ATOM 3 C SER A 12 -16.423 11.070 -5.842 1.00 0.00 C ATOM 4 O SER A 12 -16.592 10.002 -6.432 1.00 0.00 O ATOM 5 CB SER A 12 -17.943 12.971 -6.434 1.00 0.00 C ATOM 6 OG SER A 12 -17.935 14.383 -6.551 1.00 0.00 O ATOM 0 HA SER A 12 -15.801 13.078 -6.146 1.00 0.00 H new ATOM 0 HB2 SER A 12 -18.595 12.544 -7.196 1.00 0.00 H new ATOM 0 HB3 SER A 12 -18.354 12.686 -5.466 1.00 0.00 H new ATOM 0 HG SER A 12 -18.848 14.724 -6.454 1.00 0.00 H new ATOM 11 N GLY A 13 -16.139 11.143 -4.546 1.00 0.00 N ATOM 12 CA GLY A 13 -16.012 9.939 -3.746 1.00 0.00 C ATOM 13 C GLY A 13 -14.716 9.199 -4.013 1.00 0.00 C ATOM 14 O GLY A 13 -14.637 8.383 -4.931 1.00 0.00 O ATOM 0 H GLY A 13 -15.995 12.014 -4.035 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -16.066 10.201 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -16.854 9.278 -3.954 1.00 0.00 H new ATOM 18 N VAL A 14 -13.696 9.486 -3.210 1.00 0.00 N ATOM 19 CA VAL A 14 -12.395 8.844 -3.366 1.00 0.00 C ATOM 20 C VAL A 14 -11.878 8.194 -2.070 1.00 0.00 C ATOM 21 O VAL A 14 -10.675 7.986 -1.911 1.00 0.00 O ATOM 22 CB VAL A 14 -11.366 9.875 -3.828 1.00 0.00 C ATOM 23 CG1 VAL A 14 -11.310 10.992 -2.802 1.00 0.00 C ATOM 24 CG2 VAL A 14 -10.000 9.236 -4.028 1.00 0.00 C ATOM 0 H VAL A 14 -13.745 10.159 -2.445 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.529 8.053 -4.104 1.00 0.00 H new ATOM 0 HB VAL A 14 -11.664 10.284 -4.793 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.580 11.738 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -12.292 11.458 -2.718 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.018 10.583 -1.835 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.289 9.994 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.660 8.802 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.071 8.453 -4.783 1.00 0.00 H new ATOM 34 N PRO A 15 -12.771 7.862 -1.131 1.00 0.00 N ATOM 35 CA PRO A 15 -12.396 7.236 0.141 1.00 0.00 C ATOM 36 C PRO A 15 -11.822 5.836 -0.051 1.00 0.00 C ATOM 37 O PRO A 15 -12.081 5.181 -1.060 1.00 0.00 O ATOM 38 CB PRO A 15 -13.717 7.169 0.914 1.00 0.00 C ATOM 39 CG PRO A 15 -14.776 7.231 -0.133 1.00 0.00 C ATOM 40 CD PRO A 15 -14.209 8.071 -1.241 1.00 0.00 C ATOM 0 HA PRO A 15 -11.616 7.798 0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -13.789 6.250 1.495 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -13.807 7.998 1.616 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -15.031 6.233 -0.490 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -15.691 7.672 0.262 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -14.586 7.757 -2.214 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -14.471 9.122 -1.121 1.00 0.00 H new ATOM 48 N SER A 16 -11.041 5.382 0.925 1.00 0.00 N ATOM 49 CA SER A 16 -10.431 4.060 0.863 1.00 0.00 C ATOM 50 C SER A 16 -9.681 3.745 2.153 1.00 0.00 C ATOM 51 O SER A 16 -9.120 4.638 2.790 1.00 0.00 O ATOM 52 CB SER A 16 -9.477 3.971 -0.328 1.00 0.00 C ATOM 53 OG SER A 16 -9.184 2.622 -0.649 1.00 0.00 O ATOM 0 H SER A 16 -10.816 5.911 1.768 1.00 0.00 H new ATOM 0 HA SER A 16 -11.227 3.326 0.738 1.00 0.00 H new ATOM 0 HB2 SER A 16 -9.922 4.465 -1.192 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.553 4.502 -0.098 1.00 0.00 H new ATOM 0 HG SER A 16 -8.415 2.590 -1.255 1.00 0.00 H new ATOM 59 N ARG A 17 -9.675 2.472 2.533 1.00 0.00 N ATOM 60 CA ARG A 17 -8.994 2.040 3.748 1.00 0.00 C ATOM 61 C ARG A 17 -7.796 1.156 3.414 1.00 0.00 C ATOM 62 O ARG A 17 -6.694 1.371 3.917 1.00 0.00 O ATOM 63 CB ARG A 17 -9.962 1.284 4.659 1.00 0.00 C ATOM 64 CG ARG A 17 -11.382 1.826 4.620 1.00 0.00 C ATOM 65 CD ARG A 17 -12.058 1.719 5.977 1.00 0.00 C ATOM 66 NE ARG A 17 -12.880 2.888 6.274 1.00 0.00 N ATOM 67 CZ ARG A 17 -14.082 3.096 5.746 1.00 0.00 C ATOM 68 NH1 ARG A 17 -14.598 2.215 4.899 1.00 0.00 N ATOM 69 NH2 ARG A 17 -14.770 4.184 6.065 1.00 0.00 N ATOM 0 H ARG A 17 -10.134 1.721 2.017 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.635 2.927 4.269 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.975 0.233 4.370 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.593 1.328 5.684 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.366 2.868 4.302 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.962 1.276 3.879 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.679 0.824 6.003 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.300 1.603 6.751 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.512 3.584 6.923 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.072 1.377 4.652 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.521 2.376 4.495 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.377 4.863 6.717 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.692 4.342 5.659 1.00 0.00 H new ATOM 83 N VAL A 18 -8.020 0.162 2.560 1.00 0.00 N ATOM 84 CA VAL A 18 -6.959 -0.752 2.156 1.00 0.00 C ATOM 85 C VAL A 18 -6.202 -0.213 0.947 1.00 0.00 C ATOM 86 O VAL A 18 -6.803 0.122 -0.074 1.00 0.00 O ATOM 87 CB VAL A 18 -7.517 -2.147 1.817 1.00 0.00 C ATOM 88 CG1 VAL A 18 -6.389 -3.100 1.452 1.00 0.00 C ATOM 89 CG2 VAL A 18 -8.330 -2.694 2.981 1.00 0.00 C ATOM 0 H VAL A 18 -8.927 -0.030 2.135 1.00 0.00 H new ATOM 0 HA VAL A 18 -6.277 -0.838 3.002 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.176 -2.054 0.954 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -6.803 -4.080 1.216 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -5.853 -2.714 0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -5.702 -3.190 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.716 -3.680 2.723 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -7.695 -2.772 3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.162 -2.022 3.191 1.00 0.00 H new ATOM 99 N ILE A 19 -4.881 -0.130 1.070 1.00 0.00 N ATOM 100 CA ILE A 19 -4.044 0.372 -0.013 1.00 0.00 C ATOM 101 C ILE A 19 -3.361 -0.770 -0.758 1.00 0.00 C ATOM 102 O ILE A 19 -2.500 -1.456 -0.207 1.00 0.00 O ATOM 103 CB ILE A 19 -2.968 1.341 0.512 1.00 0.00 C ATOM 104 CG1 ILE A 19 -3.616 2.477 1.304 1.00 0.00 C ATOM 105 CG2 ILE A 19 -2.145 1.894 -0.642 1.00 0.00 C ATOM 106 CD1 ILE A 19 -4.633 3.268 0.509 1.00 0.00 C ATOM 0 H ILE A 19 -4.368 -0.404 1.908 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.703 0.906 -0.698 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.301 0.794 1.178 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.101 2.062 2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.837 3.153 1.656 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.389 2.577 -0.255 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.657 1.073 -1.167 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.798 2.429 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.051 4.056 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.149 3.713 -0.360 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.433 2.605 0.179 1.00 0.00 H new ATOM 118 N HIS A 20 -3.748 -0.966 -2.015 1.00 0.00 N ATOM 119 CA HIS A 20 -3.168 -2.021 -2.836 1.00 0.00 C ATOM 120 C HIS A 20 -1.912 -1.525 -3.542 1.00 0.00 C ATOM 121 O HIS A 20 -1.978 -0.656 -4.412 1.00 0.00 O ATOM 122 CB HIS A 20 -4.188 -2.516 -3.864 1.00 0.00 C ATOM 123 CG HIS A 20 -3.572 -3.239 -5.020 1.00 0.00 C ATOM 124 ND1 HIS A 20 -3.820 -2.906 -6.336 1.00 0.00 N ATOM 125 CD2 HIS A 20 -2.714 -4.286 -5.056 1.00 0.00 C ATOM 126 CE1 HIS A 20 -3.143 -3.718 -7.129 1.00 0.00 C ATOM 127 NE2 HIS A 20 -2.463 -4.563 -6.377 1.00 0.00 N ATOM 0 H HIS A 20 -4.460 -0.408 -2.486 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.894 -2.850 -2.183 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -4.898 -3.178 -3.369 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -4.755 -1.664 -4.240 1.00 0.00 H new ATOM 0 HD1 HIS A 20 -4.431 -2.151 -6.648 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.303 -4.807 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -3.146 -3.694 -8.209 1.00 0.00 H new ATOM 136 N ILE A 21 -0.766 -2.078 -3.160 1.00 0.00 N ATOM 137 CA ILE A 21 0.506 -1.687 -3.753 1.00 0.00 C ATOM 138 C ILE A 21 0.752 -2.418 -5.068 1.00 0.00 C ATOM 139 O ILE A 21 0.669 -3.645 -5.134 1.00 0.00 O ATOM 140 CB ILE A 21 1.680 -1.966 -2.795 1.00 0.00 C ATOM 141 CG1 ILE A 21 1.401 -1.351 -1.422 1.00 0.00 C ATOM 142 CG2 ILE A 21 2.977 -1.422 -3.373 1.00 0.00 C ATOM 143 CD1 ILE A 21 2.637 -1.209 -0.560 1.00 0.00 C ATOM 0 H ILE A 21 -0.693 -2.799 -2.442 1.00 0.00 H new ATOM 0 HA ILE A 21 0.448 -0.616 -3.945 1.00 0.00 H new ATOM 0 HB ILE A 21 1.785 -3.044 -2.675 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.948 -0.369 -1.558 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.671 -1.968 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 21 3.797 -1.627 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 21 3.179 -1.903 -4.330 1.00 0.00 H new ATOM 0 HG23 ILE A 21 2.887 -0.346 -3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 21 2.364 -0.766 0.398 1.00 0.00 H new ATOM 0 HD12 ILE A 21 3.079 -2.191 -0.393 1.00 0.00 H new ATOM 0 HD13 ILE A 21 3.360 -0.567 -1.063 1.00 0.00 H new ATOM 155 N ARG A 22 1.056 -1.655 -6.113 1.00 0.00 N ATOM 156 CA ARG A 22 1.317 -2.227 -7.428 1.00 0.00 C ATOM 157 C ARG A 22 2.771 -2.006 -7.832 1.00 0.00 C ATOM 158 O ARG A 22 3.403 -1.041 -7.404 1.00 0.00 O ATOM 159 CB ARG A 22 0.383 -1.608 -8.470 1.00 0.00 C ATOM 160 CG ARG A 22 0.517 -2.225 -9.852 1.00 0.00 C ATOM 161 CD ARG A 22 0.353 -1.183 -10.946 1.00 0.00 C ATOM 162 NE ARG A 22 -0.794 -1.464 -11.805 1.00 0.00 N ATOM 163 CZ ARG A 22 -0.928 -2.580 -12.514 1.00 0.00 C ATOM 164 NH1 ARG A 22 0.011 -3.515 -12.465 1.00 0.00 N ATOM 165 NH2 ARG A 22 -2.000 -2.762 -13.273 1.00 0.00 N ATOM 0 H ARG A 22 1.128 -0.638 -6.074 1.00 0.00 H new ATOM 0 HA ARG A 22 1.130 -3.300 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -0.647 -1.716 -8.132 1.00 0.00 H new ATOM 0 HB3 ARG A 22 0.586 -0.539 -8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.493 -2.702 -9.946 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -0.233 -3.006 -9.977 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.234 -0.199 -10.493 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.259 -1.148 -11.551 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.534 -0.764 -11.864 1.00 0.00 H new ATOM 0 HH11 ARG A 22 0.837 -3.378 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -0.093 -4.371 -13.010 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -2.724 -2.045 -13.314 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -2.101 -3.619 -13.816 1.00 0.00 H new ATOM 179 N LYS A 23 3.298 -2.906 -8.655 1.00 0.00 N ATOM 180 CA LYS A 23 4.679 -2.805 -9.108 1.00 0.00 C ATOM 181 C LYS A 23 5.640 -2.952 -7.933 1.00 0.00 C ATOM 182 O LYS A 23 6.695 -2.320 -7.899 1.00 0.00 O ATOM 183 CB LYS A 23 4.914 -1.463 -9.804 1.00 0.00 C ATOM 184 CG LYS A 23 5.651 -1.585 -11.128 1.00 0.00 C ATOM 185 CD LYS A 23 4.728 -1.317 -12.305 1.00 0.00 C ATOM 186 CE LYS A 23 5.487 -0.726 -13.483 1.00 0.00 C ATOM 187 NZ LYS A 23 5.216 0.730 -13.645 1.00 0.00 N ATOM 0 H LYS A 23 2.791 -3.712 -9.021 1.00 0.00 H new ATOM 0 HA LYS A 23 4.865 -3.611 -9.818 1.00 0.00 H new ATOM 0 HB2 LYS A 23 3.953 -0.979 -9.976 1.00 0.00 H new ATOM 0 HB3 LYS A 23 5.483 -0.813 -9.139 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.483 -0.881 -11.149 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.077 -2.584 -11.218 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.246 -2.246 -12.610 1.00 0.00 H new ATOM 0 HD3 LYS A 23 3.937 -0.632 -12.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.556 -0.883 -13.341 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.206 -1.251 -14.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.752 1.094 -14.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.199 0.878 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.507 1.235 -12.784 1.00 0.00 H new ATOM 201 N LEU A 24 5.266 -3.790 -6.974 1.00 0.00 N ATOM 202 CA LEU A 24 6.091 -4.019 -5.795 1.00 0.00 C ATOM 203 C LEU A 24 6.493 -5.483 -5.690 1.00 0.00 C ATOM 204 O LEU A 24 5.648 -6.375 -5.759 1.00 0.00 O ATOM 205 CB LEU A 24 5.343 -3.592 -4.530 1.00 0.00 C ATOM 206 CG LEU A 24 5.931 -4.119 -3.217 1.00 0.00 C ATOM 207 CD1 LEU A 24 7.015 -3.185 -2.704 1.00 0.00 C ATOM 208 CD2 LEU A 24 4.837 -4.291 -2.174 1.00 0.00 C ATOM 0 H LEU A 24 4.396 -4.322 -6.990 1.00 0.00 H new ATOM 0 HA LEU A 24 6.995 -3.418 -5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.322 -2.503 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.309 -3.928 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 24 6.380 -5.093 -3.408 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.421 -3.576 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.812 -3.112 -3.444 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.591 -2.196 -2.529 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.273 -4.666 -1.248 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.359 -3.330 -1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.095 -5.001 -2.539 1.00 0.00 H new ATOM 220 N PRO A 25 7.794 -5.747 -5.512 1.00 0.00 N ATOM 221 CA PRO A 25 8.308 -7.108 -5.386 1.00 0.00 C ATOM 222 C PRO A 25 8.030 -7.691 -4.010 1.00 0.00 C ATOM 223 O PRO A 25 8.947 -7.879 -3.210 1.00 0.00 O ATOM 224 CB PRO A 25 9.810 -6.933 -5.606 1.00 0.00 C ATOM 225 CG PRO A 25 10.101 -5.550 -5.132 1.00 0.00 C ATOM 226 CD PRO A 25 8.862 -4.737 -5.407 1.00 0.00 C ATOM 0 HA PRO A 25 7.841 -7.798 -6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 25 10.382 -7.673 -5.045 1.00 0.00 H new ATOM 0 HB3 PRO A 25 10.074 -7.056 -6.656 1.00 0.00 H new ATOM 0 HG2 PRO A 25 10.340 -5.546 -4.069 1.00 0.00 H new ATOM 0 HG3 PRO A 25 10.963 -5.134 -5.654 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.663 -4.027 -4.604 1.00 0.00 H new ATOM 0 HD3 PRO A 25 8.958 -4.160 -6.327 1.00 0.00 H new ATOM 234 N ILE A 26 6.754 -7.965 -3.739 1.00 0.00 N ATOM 235 CA ILE A 26 6.339 -8.521 -2.457 1.00 0.00 C ATOM 236 C ILE A 26 7.430 -9.394 -1.856 1.00 0.00 C ATOM 237 O ILE A 26 7.712 -10.485 -2.352 1.00 0.00 O ATOM 238 CB ILE A 26 5.050 -9.346 -2.589 1.00 0.00 C ATOM 239 CG1 ILE A 26 3.874 -8.438 -2.956 1.00 0.00 C ATOM 240 CG2 ILE A 26 4.768 -10.092 -1.294 1.00 0.00 C ATOM 241 CD1 ILE A 26 3.251 -7.743 -1.766 1.00 0.00 C ATOM 0 H ILE A 26 5.989 -7.809 -4.395 1.00 0.00 H new ATOM 0 HA ILE A 26 6.150 -7.675 -1.796 1.00 0.00 H new ATOM 0 HB ILE A 26 5.181 -10.077 -3.386 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.215 -7.686 -3.668 1.00 0.00 H new ATOM 0 HG13 ILE A 26 3.111 -9.031 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.852 -10.673 -1.401 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.599 -10.762 -1.072 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.651 -9.377 -0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 26 2.424 -7.117 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 26 2.879 -8.488 -1.063 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.000 -7.122 -1.274 1.00 0.00 H new ATOM 253 N ASP A 27 8.041 -8.887 -0.791 1.00 0.00 N ATOM 254 CA ASP A 27 9.116 -9.575 -0.093 1.00 0.00 C ATOM 255 C ASP A 27 10.079 -8.554 0.499 1.00 0.00 C ATOM 256 O ASP A 27 10.838 -8.858 1.419 1.00 0.00 O ATOM 257 CB ASP A 27 9.867 -10.522 -1.032 1.00 0.00 C ATOM 258 CG ASP A 27 11.179 -10.999 -0.444 1.00 0.00 C ATOM 259 OD1 ASP A 27 12.185 -10.269 -0.564 1.00 0.00 O ATOM 260 OD2 ASP A 27 11.202 -12.106 0.136 1.00 0.00 O ATOM 0 H ASP A 27 7.802 -7.982 -0.387 1.00 0.00 H new ATOM 0 HA ASP A 27 8.680 -10.171 0.708 1.00 0.00 H new ATOM 0 HB2 ASP A 27 9.237 -11.383 -1.254 1.00 0.00 H new ATOM 0 HB3 ASP A 27 10.059 -10.015 -1.978 1.00 0.00 H new ATOM 265 N VAL A 28 10.027 -7.335 -0.033 1.00 0.00 N ATOM 266 CA VAL A 28 10.871 -6.253 0.439 1.00 0.00 C ATOM 267 C VAL A 28 10.689 -6.072 1.946 1.00 0.00 C ATOM 268 O VAL A 28 10.185 -6.970 2.621 1.00 0.00 O ATOM 269 CB VAL A 28 10.539 -4.945 -0.316 1.00 0.00 C ATOM 270 CG1 VAL A 28 9.347 -4.242 0.312 1.00 0.00 C ATOM 271 CG2 VAL A 28 11.752 -4.028 -0.386 1.00 0.00 C ATOM 0 H VAL A 28 9.402 -7.076 -0.797 1.00 0.00 H new ATOM 0 HA VAL A 28 11.914 -6.502 0.243 1.00 0.00 H new ATOM 0 HB VAL A 28 10.267 -5.207 -1.339 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.134 -3.325 -0.238 1.00 0.00 H new ATOM 0 HG12 VAL A 28 8.477 -4.898 0.275 1.00 0.00 H new ATOM 0 HG13 VAL A 28 9.574 -3.998 1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 28 11.489 -3.116 -0.922 1.00 0.00 H new ATOM 0 HG22 VAL A 28 12.075 -3.774 0.624 1.00 0.00 H new ATOM 0 HG23 VAL A 28 12.562 -4.536 -0.909 1.00 0.00 H new ATOM 281 N THR A 29 11.100 -4.930 2.479 1.00 0.00 N ATOM 282 CA THR A 29 10.972 -4.686 3.911 1.00 0.00 C ATOM 283 C THR A 29 9.883 -3.667 4.218 1.00 0.00 C ATOM 284 O THR A 29 9.661 -2.724 3.457 1.00 0.00 O ATOM 285 CB THR A 29 12.301 -4.202 4.519 1.00 0.00 C ATOM 286 OG1 THR A 29 12.619 -2.895 4.027 1.00 0.00 O ATOM 287 CG2 THR A 29 13.431 -5.164 4.186 1.00 0.00 C ATOM 0 H THR A 29 11.520 -4.166 1.950 1.00 0.00 H new ATOM 0 HA THR A 29 10.696 -5.640 4.361 1.00 0.00 H new ATOM 0 HB THR A 29 12.186 -4.163 5.602 1.00 0.00 H new ATOM 0 HG1 THR A 29 13.465 -2.594 4.420 1.00 0.00 H new ATOM 0 HG21 THR A 29 14.360 -4.801 4.626 1.00 0.00 H new ATOM 0 HG22 THR A 29 13.200 -6.150 4.589 1.00 0.00 H new ATOM 0 HG23 THR A 29 13.544 -5.231 3.104 1.00 0.00 H new ATOM 295 N GLU A 30 9.208 -3.865 5.347 1.00 0.00 N ATOM 296 CA GLU A 30 8.144 -2.966 5.771 1.00 0.00 C ATOM 297 C GLU A 30 8.693 -1.569 6.030 1.00 0.00 C ATOM 298 O GLU A 30 8.127 -0.575 5.575 1.00 0.00 O ATOM 299 CB GLU A 30 7.466 -3.504 7.033 1.00 0.00 C ATOM 300 CG GLU A 30 7.118 -4.980 6.953 1.00 0.00 C ATOM 301 CD GLU A 30 8.131 -5.858 7.662 1.00 0.00 C ATOM 302 OE1 GLU A 30 8.966 -5.312 8.414 1.00 0.00 O ATOM 303 OE2 GLU A 30 8.088 -7.091 7.467 1.00 0.00 O ATOM 0 H GLU A 30 9.381 -4.642 5.984 1.00 0.00 H new ATOM 0 HA GLU A 30 7.407 -2.907 4.971 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.123 -3.340 7.887 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.555 -2.934 7.218 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.133 -5.141 7.391 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.054 -5.278 5.907 1.00 0.00 H new ATOM 310 N GLY A 31 9.805 -1.500 6.756 1.00 0.00 N ATOM 311 CA GLY A 31 10.410 -0.218 7.051 1.00 0.00 C ATOM 312 C GLY A 31 10.357 0.715 5.861 1.00 0.00 C ATOM 313 O GLY A 31 10.292 1.935 6.018 1.00 0.00 O ATOM 0 H GLY A 31 10.295 -2.307 7.143 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.896 0.241 7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 31 11.447 -0.366 7.351 1.00 0.00 H new ATOM 317 N GLU A 32 10.372 0.135 4.665 1.00 0.00 N ATOM 318 CA GLU A 32 10.313 0.914 3.437 1.00 0.00 C ATOM 319 C GLU A 32 8.872 1.302 3.127 1.00 0.00 C ATOM 320 O GLU A 32 8.556 2.481 2.965 1.00 0.00 O ATOM 321 CB GLU A 32 10.905 0.121 2.272 1.00 0.00 C ATOM 322 CG GLU A 32 12.423 0.040 2.299 1.00 0.00 C ATOM 323 CD GLU A 32 13.079 1.151 1.504 1.00 0.00 C ATOM 324 OE1 GLU A 32 12.403 2.164 1.227 1.00 0.00 O ATOM 325 OE2 GLU A 32 14.271 1.009 1.158 1.00 0.00 O ATOM 0 H GLU A 32 10.425 -0.874 4.522 1.00 0.00 H new ATOM 0 HA GLU A 32 10.901 1.822 3.575 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.495 -0.889 2.286 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.591 0.580 1.334 1.00 0.00 H new ATOM 0 HG2 GLU A 32 12.767 0.085 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 32 12.739 -0.924 1.899 1.00 0.00 H new ATOM 332 N VAL A 33 7.998 0.301 3.055 1.00 0.00 N ATOM 333 CA VAL A 33 6.589 0.543 2.777 1.00 0.00 C ATOM 334 C VAL A 33 5.968 1.414 3.865 1.00 0.00 C ATOM 335 O VAL A 33 5.440 2.492 3.588 1.00 0.00 O ATOM 336 CB VAL A 33 5.799 -0.774 2.675 1.00 0.00 C ATOM 337 CG1 VAL A 33 4.332 -0.498 2.388 1.00 0.00 C ATOM 338 CG2 VAL A 33 6.399 -1.676 1.607 1.00 0.00 C ATOM 0 H VAL A 33 8.242 -0.681 3.185 1.00 0.00 H new ATOM 0 HA VAL A 33 6.535 1.059 1.818 1.00 0.00 H new ATOM 0 HB VAL A 33 5.866 -1.290 3.633 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.791 -1.442 2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.911 0.104 3.193 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.241 0.042 1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.827 -2.602 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.367 -1.169 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 33 7.434 -1.904 1.863 1.00 0.00 H new ATOM 348 N ILE A 34 6.043 0.941 5.106 1.00 0.00 N ATOM 349 CA ILE A 34 5.500 1.672 6.235 1.00 0.00 C ATOM 350 C ILE A 34 6.052 3.092 6.285 1.00 0.00 C ATOM 351 O ILE A 34 5.297 4.058 6.393 1.00 0.00 O ATOM 352 CB ILE A 34 5.824 0.958 7.554 1.00 0.00 C ATOM 353 CG1 ILE A 34 5.726 -0.561 7.370 1.00 0.00 C ATOM 354 CG2 ILE A 34 4.886 1.437 8.645 1.00 0.00 C ATOM 355 CD1 ILE A 34 5.304 -1.306 8.617 1.00 0.00 C ATOM 0 H ILE A 34 6.477 0.051 5.350 1.00 0.00 H new ATOM 0 HA ILE A 34 4.419 1.715 6.105 1.00 0.00 H new ATOM 0 HB ILE A 34 6.845 1.197 7.851 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.014 -0.775 6.573 1.00 0.00 H new ATOM 0 HG13 ILE A 34 6.694 -0.940 7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.122 0.926 9.578 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.004 2.512 8.780 1.00 0.00 H new ATOM 0 HG23 ILE A 34 3.856 1.218 8.362 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.258 -2.374 8.405 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.028 -1.125 9.412 1.00 0.00 H new ATOM 0 HD13 ILE A 34 4.321 -0.957 8.934 1.00 0.00 H new ATOM 367 N SER A 35 7.374 3.213 6.200 1.00 0.00 N ATOM 368 CA SER A 35 8.022 4.518 6.231 1.00 0.00 C ATOM 369 C SER A 35 7.246 5.516 5.382 1.00 0.00 C ATOM 370 O SER A 35 7.029 6.658 5.789 1.00 0.00 O ATOM 371 CB SER A 35 9.462 4.411 5.725 1.00 0.00 C ATOM 372 OG SER A 35 10.357 4.137 6.789 1.00 0.00 O ATOM 0 H SER A 35 8.015 2.425 6.109 1.00 0.00 H new ATOM 0 HA SER A 35 8.037 4.870 7.263 1.00 0.00 H new ATOM 0 HB2 SER A 35 9.530 3.622 4.976 1.00 0.00 H new ATOM 0 HB3 SER A 35 9.749 5.341 5.235 1.00 0.00 H new ATOM 0 HG SER A 35 10.548 3.176 6.817 1.00 0.00 H new ATOM 378 N LEU A 36 6.823 5.073 4.203 1.00 0.00 N ATOM 379 CA LEU A 36 6.062 5.922 3.296 1.00 0.00 C ATOM 380 C LEU A 36 4.725 6.301 3.921 1.00 0.00 C ATOM 381 O LEU A 36 4.216 7.401 3.706 1.00 0.00 O ATOM 382 CB LEU A 36 5.833 5.204 1.965 1.00 0.00 C ATOM 383 CG LEU A 36 7.104 4.854 1.190 1.00 0.00 C ATOM 384 CD1 LEU A 36 6.837 3.723 0.209 1.00 0.00 C ATOM 385 CD2 LEU A 36 7.639 6.078 0.461 1.00 0.00 C ATOM 0 H LEU A 36 6.995 4.130 3.854 1.00 0.00 H new ATOM 0 HA LEU A 36 6.634 6.832 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.278 4.286 2.156 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.203 5.832 1.335 1.00 0.00 H new ATOM 0 HG LEU A 36 7.859 4.520 1.902 1.00 0.00 H new ATOM 0 HD11 LEU A 36 7.753 3.488 -0.333 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.501 2.841 0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.065 4.029 -0.498 1.00 0.00 H new ATOM 0 HD21 LEU A 36 8.544 5.810 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 36 6.887 6.442 -0.239 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.870 6.860 1.184 1.00 0.00 H new ATOM 397 N GLY A 37 4.163 5.381 4.698 1.00 0.00 N ATOM 398 CA GLY A 37 2.892 5.634 5.348 1.00 0.00 C ATOM 399 C GLY A 37 3.042 6.442 6.622 1.00 0.00 C ATOM 400 O GLY A 37 2.098 7.097 7.065 1.00 0.00 O ATOM 0 H GLY A 37 4.566 4.464 4.889 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.235 6.166 4.660 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.410 4.684 5.579 1.00 0.00 H new ATOM 404 N LEU A 38 4.232 6.396 7.213 1.00 0.00 N ATOM 405 CA LEU A 38 4.502 7.131 8.444 1.00 0.00 C ATOM 406 C LEU A 38 3.862 8.514 8.401 1.00 0.00 C ATOM 407 O LEU A 38 3.039 8.855 9.250 1.00 0.00 O ATOM 408 CB LEU A 38 6.010 7.259 8.668 1.00 0.00 C ATOM 409 CG LEU A 38 6.533 6.610 9.950 1.00 0.00 C ATOM 410 CD1 LEU A 38 6.347 5.101 9.898 1.00 0.00 C ATOM 411 CD2 LEU A 38 7.998 6.961 10.165 1.00 0.00 C ATOM 0 H LEU A 38 5.024 5.858 6.860 1.00 0.00 H new ATOM 0 HA LEU A 38 4.067 6.574 9.274 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.527 6.815 7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 38 6.271 8.317 8.682 1.00 0.00 H new ATOM 0 HG LEU A 38 5.959 6.998 10.792 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.725 4.656 10.818 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.288 4.868 9.791 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.895 4.696 9.047 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.354 6.491 11.082 1.00 0.00 H new ATOM 0 HD22 LEU A 38 8.586 6.601 9.321 1.00 0.00 H new ATOM 0 HD23 LEU A 38 8.105 8.043 10.247 1.00 0.00 H new ATOM 423 N PRO A 39 4.232 9.326 7.400 1.00 0.00 N ATOM 424 CA PRO A 39 3.691 10.679 7.239 1.00 0.00 C ATOM 425 C PRO A 39 2.202 10.662 6.908 1.00 0.00 C ATOM 426 O PRO A 39 1.433 11.477 7.417 1.00 0.00 O ATOM 427 CB PRO A 39 4.494 11.253 6.068 1.00 0.00 C ATOM 428 CG PRO A 39 4.984 10.061 5.320 1.00 0.00 C ATOM 429 CD PRO A 39 5.203 8.988 6.348 1.00 0.00 C ATOM 0 HA PRO A 39 3.778 11.266 8.154 1.00 0.00 H new ATOM 0 HB2 PRO A 39 3.873 11.888 5.436 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.323 11.867 6.420 1.00 0.00 H new ATOM 0 HG2 PRO A 39 4.257 9.743 4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.909 10.287 4.789 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.022 7.995 5.938 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.225 8.996 6.726 1.00 0.00 H new ATOM 437 N PHE A 40 1.805 9.723 6.057 1.00 0.00 N ATOM 438 CA PHE A 40 0.409 9.591 5.660 1.00 0.00 C ATOM 439 C PHE A 40 -0.484 9.440 6.885 1.00 0.00 C ATOM 440 O PHE A 40 -1.642 9.857 6.879 1.00 0.00 O ATOM 441 CB PHE A 40 0.239 8.383 4.737 1.00 0.00 C ATOM 442 CG PHE A 40 0.969 8.524 3.432 1.00 0.00 C ATOM 443 CD1 PHE A 40 1.250 9.777 2.912 1.00 0.00 C ATOM 444 CD2 PHE A 40 1.377 7.404 2.726 1.00 0.00 C ATOM 445 CE1 PHE A 40 1.923 9.911 1.713 1.00 0.00 C ATOM 446 CE2 PHE A 40 2.051 7.531 1.527 1.00 0.00 C ATOM 447 CZ PHE A 40 2.324 8.787 1.020 1.00 0.00 C ATOM 0 H PHE A 40 2.431 9.041 5.628 1.00 0.00 H new ATOM 0 HA PHE A 40 0.114 10.494 5.125 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.596 7.490 5.250 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.822 8.234 4.537 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.939 10.660 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.166 6.420 3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 40 2.135 10.894 1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.364 6.650 0.987 1.00 0.00 H new ATOM 0 HZ PHE A 40 2.851 8.889 0.083 1.00 0.00 H new ATOM 457 N GLY A 41 0.067 8.843 7.934 1.00 0.00 N ATOM 458 CA GLY A 41 -0.684 8.643 9.157 1.00 0.00 C ATOM 459 C GLY A 41 -0.127 7.506 9.988 1.00 0.00 C ATOM 460 O GLY A 41 0.910 7.652 10.635 1.00 0.00 O ATOM 0 H GLY A 41 1.025 8.493 7.959 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -0.671 9.561 9.744 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.726 8.436 8.912 1.00 0.00 H new ATOM 464 N LYS A 42 -0.814 6.370 9.968 1.00 0.00 N ATOM 465 CA LYS A 42 -0.375 5.203 10.722 1.00 0.00 C ATOM 466 C LYS A 42 -0.814 3.914 10.039 1.00 0.00 C ATOM 467 O LYS A 42 -1.942 3.805 9.560 1.00 0.00 O ATOM 468 CB LYS A 42 -0.928 5.252 12.147 1.00 0.00 C ATOM 469 CG LYS A 42 -0.120 6.134 13.085 1.00 0.00 C ATOM 470 CD LYS A 42 0.084 5.468 14.436 1.00 0.00 C ATOM 471 CE LYS A 42 1.454 4.816 14.534 1.00 0.00 C ATOM 472 NZ LYS A 42 1.461 3.687 15.505 1.00 0.00 N ATOM 0 H LYS A 42 -1.675 6.233 9.439 1.00 0.00 H new ATOM 0 HA LYS A 42 0.714 5.218 10.761 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -1.955 5.615 12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -0.959 4.240 12.550 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.849 6.353 12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -0.631 7.087 13.221 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -0.025 6.209 15.228 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -0.690 4.717 14.593 1.00 0.00 H new ATOM 0 HE2 LYS A 42 1.755 4.452 13.551 1.00 0.00 H new ATOM 0 HE3 LYS A 42 2.190 5.561 14.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 2.412 3.268 15.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 1.199 4.039 16.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.777 2.965 15.202 1.00 0.00 H new ATOM 486 N VAL A 43 0.083 2.934 10.004 1.00 0.00 N ATOM 487 CA VAL A 43 -0.217 1.648 9.388 1.00 0.00 C ATOM 488 C VAL A 43 -0.878 0.717 10.397 1.00 0.00 C ATOM 489 O VAL A 43 -0.314 0.429 11.453 1.00 0.00 O ATOM 490 CB VAL A 43 1.052 0.978 8.831 1.00 0.00 C ATOM 491 CG1 VAL A 43 0.770 -0.466 8.445 1.00 0.00 C ATOM 492 CG2 VAL A 43 1.589 1.760 7.642 1.00 0.00 C ATOM 0 H VAL A 43 1.022 3.006 10.395 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.900 1.836 8.560 1.00 0.00 H new ATOM 0 HB VAL A 43 1.813 0.978 9.611 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.679 -0.922 8.054 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.436 -1.019 9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -0.007 -0.493 7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.486 1.272 7.261 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.833 1.794 6.857 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.833 2.775 7.955 1.00 0.00 H new ATOM 502 N THR A 44 -2.083 0.260 10.074 1.00 0.00 N ATOM 503 CA THR A 44 -2.823 -0.625 10.964 1.00 0.00 C ATOM 504 C THR A 44 -2.643 -2.089 10.576 1.00 0.00 C ATOM 505 O THR A 44 -3.184 -2.984 11.226 1.00 0.00 O ATOM 506 CB THR A 44 -4.324 -0.285 10.973 1.00 0.00 C ATOM 507 OG1 THR A 44 -5.035 -1.151 10.081 1.00 0.00 O ATOM 508 CG2 THR A 44 -4.538 1.160 10.568 1.00 0.00 C ATOM 0 H THR A 44 -2.566 0.487 9.205 1.00 0.00 H new ATOM 0 HA THR A 44 -2.417 -0.472 11.964 1.00 0.00 H new ATOM 0 HB THR A 44 -4.705 -0.429 11.984 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.978 -0.885 10.048 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.604 1.387 10.579 1.00 0.00 H new ATOM 0 HG22 THR A 44 -4.021 1.815 11.269 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.143 1.319 9.564 1.00 0.00 H new ATOM 516 N ASN A 45 -1.879 -2.328 9.514 1.00 0.00 N ATOM 517 CA ASN A 45 -1.628 -3.686 9.044 1.00 0.00 C ATOM 518 C ASN A 45 -0.764 -3.678 7.788 1.00 0.00 C ATOM 519 O ASN A 45 -0.817 -2.742 6.990 1.00 0.00 O ATOM 520 CB ASN A 45 -2.950 -4.402 8.761 1.00 0.00 C ATOM 521 CG ASN A 45 -2.794 -5.910 8.722 1.00 0.00 C ATOM 522 OD1 ASN A 45 -1.798 -6.456 9.197 1.00 0.00 O ATOM 523 ND2 ASN A 45 -3.780 -6.592 8.152 1.00 0.00 N ATOM 0 H ASN A 45 -1.424 -1.600 8.964 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.092 -4.221 9.828 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -3.676 -4.134 9.528 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -3.351 -4.056 7.808 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.730 -7.609 8.095 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.588 -6.099 7.771 1.00 0.00 H new ATOM 530 N LEU A 46 0.034 -4.728 7.618 1.00 0.00 N ATOM 531 CA LEU A 46 0.911 -4.843 6.458 1.00 0.00 C ATOM 532 C LEU A 46 0.936 -6.276 5.936 1.00 0.00 C ATOM 533 O LEU A 46 1.587 -7.146 6.515 1.00 0.00 O ATOM 534 CB LEU A 46 2.329 -4.394 6.816 1.00 0.00 C ATOM 535 CG LEU A 46 3.331 -4.426 5.659 1.00 0.00 C ATOM 536 CD1 LEU A 46 2.631 -4.138 4.341 1.00 0.00 C ATOM 537 CD2 LEU A 46 4.452 -3.427 5.899 1.00 0.00 C ATOM 0 H LEU A 46 0.091 -5.511 8.269 1.00 0.00 H new ATOM 0 HA LEU A 46 0.520 -4.195 5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.284 -3.378 7.209 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.703 -5.030 7.618 1.00 0.00 H new ATOM 0 HG LEU A 46 3.766 -5.424 5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.358 -4.165 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.863 -4.891 4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.169 -3.151 4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.155 -3.463 5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 46 4.034 -2.423 5.978 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.971 -3.678 6.824 1.00 0.00 H new ATOM 549 N LEU A 47 0.225 -6.515 4.840 1.00 0.00 N ATOM 550 CA LEU A 47 0.169 -7.844 4.241 1.00 0.00 C ATOM 551 C LEU A 47 0.800 -7.843 2.853 1.00 0.00 C ATOM 552 O LEU A 47 0.289 -7.214 1.928 1.00 0.00 O ATOM 553 CB LEU A 47 -1.281 -8.326 4.153 1.00 0.00 C ATOM 554 CG LEU A 47 -1.450 -9.826 3.911 1.00 0.00 C ATOM 555 CD1 LEU A 47 -0.642 -10.266 2.701 1.00 0.00 C ATOM 556 CD2 LEU A 47 -1.035 -10.612 5.146 1.00 0.00 C ATOM 0 H LEU A 47 -0.320 -5.807 4.348 1.00 0.00 H new ATOM 0 HA LEU A 47 0.734 -8.525 4.877 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.792 -8.063 5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.780 -7.785 3.349 1.00 0.00 H new ATOM 0 HG LEU A 47 -2.502 -10.027 3.711 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -0.775 -11.337 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.984 -9.725 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.413 -10.052 2.871 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.161 -11.678 4.958 1.00 0.00 H new ATOM 0 HD22 LEU A 47 0.010 -10.405 5.375 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.657 -10.317 5.991 1.00 0.00 H new ATOM 568 N MET A 48 1.916 -8.553 2.716 1.00 0.00 N ATOM 569 CA MET A 48 2.617 -8.635 1.440 1.00 0.00 C ATOM 570 C MET A 48 2.282 -9.937 0.718 1.00 0.00 C ATOM 571 O MET A 48 2.841 -10.990 1.023 1.00 0.00 O ATOM 572 CB MET A 48 4.129 -8.533 1.655 1.00 0.00 C ATOM 573 CG MET A 48 4.523 -7.584 2.775 1.00 0.00 C ATOM 574 SD MET A 48 5.245 -6.048 2.165 1.00 0.00 S ATOM 575 CE MET A 48 6.892 -6.596 1.724 1.00 0.00 C ATOM 0 H MET A 48 2.353 -9.079 3.472 1.00 0.00 H new ATOM 0 HA MET A 48 2.288 -7.801 0.820 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.524 -9.525 1.875 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.598 -8.202 0.728 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.644 -7.353 3.376 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.237 -8.081 3.432 1.00 0.00 H new ATOM 0 HE1 MET A 48 7.629 -6.014 2.277 1.00 0.00 H new ATOM 0 HE2 MET A 48 7.003 -7.652 1.972 1.00 0.00 H new ATOM 0 HE3 MET A 48 7.048 -6.456 0.654 1.00 0.00 H new ATOM 585 N LEU A 49 1.365 -9.856 -0.242 1.00 0.00 N ATOM 586 CA LEU A 49 0.957 -11.029 -1.009 1.00 0.00 C ATOM 587 C LEU A 49 1.944 -11.312 -2.137 1.00 0.00 C ATOM 588 O LEU A 49 1.871 -10.708 -3.206 1.00 0.00 O ATOM 589 CB LEU A 49 -0.447 -10.825 -1.584 1.00 0.00 C ATOM 590 CG LEU A 49 -1.169 -12.110 -1.994 1.00 0.00 C ATOM 591 CD1 LEU A 49 -1.441 -12.981 -0.779 1.00 0.00 C ATOM 592 CD2 LEU A 49 -2.467 -11.781 -2.719 1.00 0.00 C ATOM 0 H LEU A 49 0.891 -8.992 -0.507 1.00 0.00 H new ATOM 0 HA LEU A 49 0.946 -11.886 -0.336 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.055 -10.305 -0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.376 -10.172 -2.454 1.00 0.00 H new ATOM 0 HG LEU A 49 -0.525 -12.666 -2.675 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.955 -13.890 -1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.497 -13.243 -0.301 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.066 -12.435 -0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -2.969 -12.706 -3.004 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.116 -11.204 -2.060 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.247 -11.197 -3.613 1.00 0.00 H new ATOM 604 N LYS A 50 2.868 -12.235 -1.888 1.00 0.00 N ATOM 605 CA LYS A 50 3.875 -12.601 -2.878 1.00 0.00 C ATOM 606 C LYS A 50 3.240 -12.882 -4.237 1.00 0.00 C ATOM 607 O LYS A 50 3.909 -12.822 -5.268 1.00 0.00 O ATOM 608 CB LYS A 50 4.663 -13.824 -2.405 1.00 0.00 C ATOM 609 CG LYS A 50 5.275 -13.655 -1.023 1.00 0.00 C ATOM 610 CD LYS A 50 6.605 -12.919 -1.087 1.00 0.00 C ATOM 611 CE LYS A 50 6.779 -11.975 0.092 1.00 0.00 C ATOM 612 NZ LYS A 50 7.511 -12.619 1.217 1.00 0.00 N ATOM 0 H LYS A 50 2.940 -12.744 -1.007 1.00 0.00 H new ATOM 0 HA LYS A 50 4.556 -11.757 -2.990 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.002 -14.691 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 50 5.457 -14.034 -3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 50 4.585 -13.105 -0.383 1.00 0.00 H new ATOM 0 HG3 LYS A 50 5.422 -14.634 -0.567 1.00 0.00 H new ATOM 0 HD2 LYS A 50 7.421 -13.641 -1.099 1.00 0.00 H new ATOM 0 HD3 LYS A 50 6.665 -12.355 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.321 -11.086 -0.232 1.00 0.00 H new ATOM 0 HE3 LYS A 50 5.800 -11.643 0.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.608 -11.942 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.982 -13.453 1.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.455 -12.913 0.894 1.00 0.00 H new ATOM 626 N GLY A 51 1.948 -13.192 -4.232 1.00 0.00 N ATOM 627 CA GLY A 51 1.251 -13.479 -5.473 1.00 0.00 C ATOM 628 C GLY A 51 0.869 -12.223 -6.234 1.00 0.00 C ATOM 629 O GLY A 51 0.217 -11.333 -5.688 1.00 0.00 O ATOM 0 H GLY A 51 1.371 -13.250 -3.393 1.00 0.00 H new ATOM 0 HA2 GLY A 51 1.884 -14.103 -6.104 1.00 0.00 H new ATOM 0 HA3 GLY A 51 0.351 -14.055 -5.255 1.00 0.00 H new ATOM 633 N LYS A 52 1.272 -12.156 -7.499 1.00 0.00 N ATOM 634 CA LYS A 52 0.966 -11.005 -8.343 1.00 0.00 C ATOM 635 C LYS A 52 1.772 -9.778 -7.922 1.00 0.00 C ATOM 636 O LYS A 52 1.557 -8.679 -8.432 1.00 0.00 O ATOM 637 CB LYS A 52 -0.529 -10.688 -8.288 1.00 0.00 C ATOM 638 CG LYS A 52 -1.292 -11.143 -9.521 1.00 0.00 C ATOM 639 CD LYS A 52 -2.243 -10.065 -10.017 1.00 0.00 C ATOM 640 CE LYS A 52 -2.536 -10.218 -11.500 1.00 0.00 C ATOM 641 NZ LYS A 52 -3.097 -8.970 -12.088 1.00 0.00 N ATOM 0 H LYS A 52 1.812 -12.886 -7.963 1.00 0.00 H new ATOM 0 HA LYS A 52 1.242 -11.260 -9.366 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -0.961 -11.164 -7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -0.660 -9.613 -8.166 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.587 -11.400 -10.312 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.855 -12.047 -9.289 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.175 -10.114 -9.454 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.810 -9.082 -9.830 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -1.619 -10.486 -12.025 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.240 -11.037 -11.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.283 -9.116 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.985 -8.727 -11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.415 -8.194 -11.970 1.00 0.00 H new ATOM 655 N ASN A 53 2.702 -9.974 -6.992 1.00 0.00 N ATOM 656 CA ASN A 53 3.539 -8.881 -6.509 1.00 0.00 C ATOM 657 C ASN A 53 2.692 -7.676 -6.115 1.00 0.00 C ATOM 658 O ASN A 53 2.822 -6.598 -6.697 1.00 0.00 O ATOM 659 CB ASN A 53 4.554 -8.474 -7.579 1.00 0.00 C ATOM 660 CG ASN A 53 5.770 -9.379 -7.600 1.00 0.00 C ATOM 661 OD1 ASN A 53 6.184 -9.857 -8.656 1.00 0.00 O ATOM 662 ND2 ASN A 53 6.351 -9.619 -6.429 1.00 0.00 N ATOM 0 H ASN A 53 2.895 -10.877 -6.559 1.00 0.00 H new ATOM 0 HA ASN A 53 4.072 -9.232 -5.626 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.074 -8.494 -8.557 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.873 -7.447 -7.401 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.174 -10.220 -6.382 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.974 -9.202 -5.578 1.00 0.00 H new ATOM 669 N GLN A 54 1.827 -7.864 -5.125 1.00 0.00 N ATOM 670 CA GLN A 54 0.962 -6.789 -4.654 1.00 0.00 C ATOM 671 C GLN A 54 0.843 -6.814 -3.133 1.00 0.00 C ATOM 672 O GLN A 54 0.650 -7.871 -2.534 1.00 0.00 O ATOM 673 CB GLN A 54 -0.427 -6.909 -5.286 1.00 0.00 C ATOM 674 CG GLN A 54 -0.399 -7.408 -6.722 1.00 0.00 C ATOM 675 CD GLN A 54 -0.020 -6.322 -7.709 1.00 0.00 C ATOM 676 OE1 GLN A 54 0.055 -5.145 -7.356 1.00 0.00 O ATOM 677 NE2 GLN A 54 0.222 -6.712 -8.955 1.00 0.00 N ATOM 0 H GLN A 54 1.706 -8.750 -4.634 1.00 0.00 H new ATOM 0 HA GLN A 54 1.409 -5.840 -4.951 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -1.033 -7.587 -4.686 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.916 -5.935 -5.258 1.00 0.00 H new ATOM 0 HG2 GLN A 54 0.311 -8.231 -6.803 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.380 -7.806 -6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 54 0.148 -7.698 -9.204 1.00 0.00 H new ATOM 0 HE22 GLN A 54 0.482 -6.025 -9.663 1.00 0.00 H new ATOM 686 N ALA A 55 0.957 -5.643 -2.516 1.00 0.00 N ATOM 687 CA ALA A 55 0.859 -5.532 -1.066 1.00 0.00 C ATOM 688 C ALA A 55 -0.432 -4.832 -0.663 1.00 0.00 C ATOM 689 O ALA A 55 -1.113 -4.238 -1.498 1.00 0.00 O ATOM 690 CB ALA A 55 2.063 -4.788 -0.507 1.00 0.00 C ATOM 0 H ALA A 55 1.117 -4.758 -2.997 1.00 0.00 H new ATOM 0 HA ALA A 55 0.847 -6.538 -0.647 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.974 -4.714 0.577 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.975 -5.329 -0.760 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.104 -3.787 -0.937 1.00 0.00 H new ATOM 696 N PHE A 56 -0.770 -4.908 0.620 1.00 0.00 N ATOM 697 CA PHE A 56 -1.986 -4.283 1.122 1.00 0.00 C ATOM 698 C PHE A 56 -1.801 -3.783 2.551 1.00 0.00 C ATOM 699 O PHE A 56 -1.592 -4.571 3.474 1.00 0.00 O ATOM 700 CB PHE A 56 -3.150 -5.274 1.065 1.00 0.00 C ATOM 701 CG PHE A 56 -3.118 -6.169 -0.142 1.00 0.00 C ATOM 702 CD1 PHE A 56 -2.086 -7.077 -0.321 1.00 0.00 C ATOM 703 CD2 PHE A 56 -4.121 -6.102 -1.096 1.00 0.00 C ATOM 704 CE1 PHE A 56 -2.056 -7.901 -1.431 1.00 0.00 C ATOM 705 CE2 PHE A 56 -4.095 -6.924 -2.206 1.00 0.00 C ATOM 706 CZ PHE A 56 -3.062 -7.825 -2.374 1.00 0.00 C ATOM 0 H PHE A 56 -0.220 -5.395 1.328 1.00 0.00 H new ATOM 0 HA PHE A 56 -2.209 -3.426 0.487 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -3.137 -5.890 1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.089 -4.720 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.297 -7.142 0.414 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.932 -5.400 -0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.246 -8.604 -1.560 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -4.883 -6.862 -2.942 1.00 0.00 H new ATOM 0 HZ PHE A 56 -3.041 -8.469 -3.241 1.00 0.00 H new ATOM 716 N ILE A 57 -1.889 -2.468 2.727 1.00 0.00 N ATOM 717 CA ILE A 57 -1.742 -1.862 4.044 1.00 0.00 C ATOM 718 C ILE A 57 -3.020 -1.140 4.450 1.00 0.00 C ATOM 719 O ILE A 57 -3.696 -0.537 3.617 1.00 0.00 O ATOM 720 CB ILE A 57 -0.565 -0.869 4.085 1.00 0.00 C ATOM 721 CG1 ILE A 57 -0.869 0.358 3.223 1.00 0.00 C ATOM 722 CG2 ILE A 57 0.714 -1.547 3.619 1.00 0.00 C ATOM 723 CD1 ILE A 57 -0.165 1.613 3.693 1.00 0.00 C ATOM 0 H ILE A 57 -2.061 -1.803 1.973 1.00 0.00 H new ATOM 0 HA ILE A 57 -1.540 -2.671 4.746 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.425 -0.538 5.114 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.577 0.151 2.193 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.945 0.533 3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 57 1.537 -0.833 3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 57 0.937 -2.390 4.272 1.00 0.00 H new ATOM 0 HG23 ILE A 57 0.585 -1.904 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.425 2.444 3.037 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.475 1.844 4.712 1.00 0.00 H new ATOM 0 HD13 ILE A 57 0.913 1.456 3.669 1.00 0.00 H new ATOM 735 N GLU A 58 -3.352 -1.210 5.734 1.00 0.00 N ATOM 736 CA GLU A 58 -4.556 -0.567 6.245 1.00 0.00 C ATOM 737 C GLU A 58 -4.212 0.634 7.119 1.00 0.00 C ATOM 738 O GLU A 58 -3.473 0.515 8.096 1.00 0.00 O ATOM 739 CB GLU A 58 -5.393 -1.568 7.043 1.00 0.00 C ATOM 740 CG GLU A 58 -6.762 -1.836 6.439 1.00 0.00 C ATOM 741 CD GLU A 58 -7.827 -2.072 7.491 1.00 0.00 C ATOM 742 OE1 GLU A 58 -8.174 -1.110 8.210 1.00 0.00 O ATOM 743 OE2 GLU A 58 -8.315 -3.216 7.596 1.00 0.00 O ATOM 0 H GLU A 58 -2.805 -1.705 6.439 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.135 -0.214 5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.847 -2.509 7.116 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.520 -1.194 8.059 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.052 -0.990 5.817 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.703 -2.706 5.786 1.00 0.00 H new ATOM 750 N MET A 59 -4.762 1.790 6.763 1.00 0.00 N ATOM 751 CA MET A 59 -4.524 3.016 7.514 1.00 0.00 C ATOM 752 C MET A 59 -5.594 3.198 8.585 1.00 0.00 C ATOM 753 O MET A 59 -6.774 2.940 8.345 1.00 0.00 O ATOM 754 CB MET A 59 -4.502 4.218 6.568 1.00 0.00 C ATOM 755 CG MET A 59 -3.849 3.916 5.228 1.00 0.00 C ATOM 756 SD MET A 59 -2.564 5.103 4.788 1.00 0.00 S ATOM 757 CE MET A 59 -1.498 5.015 6.225 1.00 0.00 C ATOM 0 H MET A 59 -5.377 1.903 5.957 1.00 0.00 H new ATOM 0 HA MET A 59 -3.554 2.943 8.006 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.524 4.557 6.398 1.00 0.00 H new ATOM 0 HB3 MET A 59 -3.969 5.039 7.047 1.00 0.00 H new ATOM 0 HG2 MET A 59 -3.417 2.916 5.257 1.00 0.00 H new ATOM 0 HG3 MET A 59 -4.613 3.911 4.451 1.00 0.00 H new ATOM 0 HE1 MET A 59 -0.739 5.794 6.163 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.092 5.158 7.128 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.014 4.039 6.260 1.00 0.00 H new ATOM 767 N ASN A 60 -5.178 3.632 9.771 1.00 0.00 N ATOM 768 CA ASN A 60 -6.110 3.828 10.878 1.00 0.00 C ATOM 769 C ASN A 60 -7.076 4.976 10.594 1.00 0.00 C ATOM 770 O ASN A 60 -8.192 4.998 11.113 1.00 0.00 O ATOM 771 CB ASN A 60 -5.361 4.097 12.189 1.00 0.00 C ATOM 772 CG ASN A 60 -4.120 3.244 12.353 1.00 0.00 C ATOM 773 OD1 ASN A 60 -4.142 2.222 13.037 1.00 0.00 O ATOM 774 ND2 ASN A 60 -3.027 3.661 11.727 1.00 0.00 N ATOM 0 H ASN A 60 -4.207 3.854 9.990 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.684 2.907 10.982 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.079 5.149 12.229 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.033 3.915 13.028 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.161 3.128 11.803 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.053 4.515 11.170 1.00 0.00 H new ATOM 781 N THR A 61 -6.645 5.930 9.774 1.00 0.00 N ATOM 782 CA THR A 61 -7.485 7.072 9.437 1.00 0.00 C ATOM 783 C THR A 61 -7.667 7.202 7.930 1.00 0.00 C ATOM 784 O THR A 61 -6.730 6.992 7.159 1.00 0.00 O ATOM 785 CB THR A 61 -6.897 8.385 9.987 1.00 0.00 C ATOM 786 OG1 THR A 61 -7.660 9.501 9.513 1.00 0.00 O ATOM 787 CG2 THR A 61 -5.443 8.545 9.569 1.00 0.00 C ATOM 0 H THR A 61 -5.725 5.935 9.334 1.00 0.00 H new ATOM 0 HA THR A 61 -8.455 6.894 9.901 1.00 0.00 H new ATOM 0 HB THR A 61 -6.944 8.349 11.075 1.00 0.00 H new ATOM 0 HG1 THR A 61 -7.280 10.332 9.869 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.050 9.480 9.969 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.859 7.710 9.957 1.00 0.00 H new ATOM 0 HG23 THR A 61 -5.377 8.560 8.481 1.00 0.00 H new ATOM 795 N GLU A 62 -8.881 7.549 7.515 1.00 0.00 N ATOM 796 CA GLU A 62 -9.188 7.709 6.099 1.00 0.00 C ATOM 797 C GLU A 62 -8.222 8.688 5.444 1.00 0.00 C ATOM 798 O GLU A 62 -7.745 8.457 4.333 1.00 0.00 O ATOM 799 CB GLU A 62 -10.627 8.196 5.919 1.00 0.00 C ATOM 800 CG GLU A 62 -11.639 7.068 5.794 1.00 0.00 C ATOM 801 CD GLU A 62 -13.054 7.575 5.591 1.00 0.00 C ATOM 802 OE1 GLU A 62 -13.281 8.328 4.621 1.00 0.00 O ATOM 803 OE2 GLU A 62 -13.934 7.218 6.402 1.00 0.00 O ATOM 0 H GLU A 62 -9.668 7.725 8.140 1.00 0.00 H new ATOM 0 HA GLU A 62 -9.079 6.738 5.616 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -10.898 8.824 6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.681 8.822 5.029 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.363 6.428 4.956 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.603 6.451 6.692 1.00 0.00 H new ATOM 810 N GLU A 63 -7.931 9.782 6.142 1.00 0.00 N ATOM 811 CA GLU A 63 -7.017 10.794 5.629 1.00 0.00 C ATOM 812 C GLU A 63 -5.663 10.176 5.296 1.00 0.00 C ATOM 813 O GLU A 63 -4.957 10.645 4.403 1.00 0.00 O ATOM 814 CB GLU A 63 -6.840 11.920 6.649 1.00 0.00 C ATOM 815 CG GLU A 63 -6.220 13.179 6.064 1.00 0.00 C ATOM 816 CD GLU A 63 -4.744 13.016 5.763 1.00 0.00 C ATOM 817 OE1 GLU A 63 -3.978 12.701 6.698 1.00 0.00 O ATOM 818 OE2 GLU A 63 -4.352 13.203 4.592 1.00 0.00 O ATOM 0 H GLU A 63 -8.315 9.989 7.064 1.00 0.00 H new ATOM 0 HA GLU A 63 -7.446 11.208 4.717 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.812 12.168 7.076 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.214 11.563 7.467 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -6.746 13.447 5.148 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.356 14.005 6.763 1.00 0.00 H new ATOM 825 N ALA A 64 -5.309 9.117 6.017 1.00 0.00 N ATOM 826 CA ALA A 64 -4.042 8.432 5.796 1.00 0.00 C ATOM 827 C ALA A 64 -4.070 7.646 4.490 1.00 0.00 C ATOM 828 O ALA A 64 -3.186 7.792 3.647 1.00 0.00 O ATOM 829 CB ALA A 64 -3.725 7.511 6.966 1.00 0.00 C ATOM 0 H ALA A 64 -5.882 8.715 6.759 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.256 9.184 5.723 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.776 7.007 6.785 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.656 8.097 7.882 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.516 6.768 7.069 1.00 0.00 H new ATOM 835 N ALA A 65 -5.092 6.812 4.331 1.00 0.00 N ATOM 836 CA ALA A 65 -5.236 6.000 3.128 1.00 0.00 C ATOM 837 C ALA A 65 -5.143 6.860 1.871 1.00 0.00 C ATOM 838 O ALA A 65 -4.255 6.666 1.039 1.00 0.00 O ATOM 839 CB ALA A 65 -6.556 5.246 3.155 1.00 0.00 C ATOM 0 H ALA A 65 -5.833 6.681 5.020 1.00 0.00 H new ATOM 0 HA ALA A 65 -4.418 5.279 3.106 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -6.650 4.644 2.251 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -6.585 4.595 4.029 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -7.380 5.957 3.205 1.00 0.00 H new ATOM 845 N ASN A 66 -6.064 7.808 1.740 1.00 0.00 N ATOM 846 CA ASN A 66 -6.087 8.696 0.584 1.00 0.00 C ATOM 847 C ASN A 66 -4.687 9.209 0.264 1.00 0.00 C ATOM 848 O ASN A 66 -4.105 8.853 -0.760 1.00 0.00 O ATOM 849 CB ASN A 66 -7.028 9.875 0.841 1.00 0.00 C ATOM 850 CG ASN A 66 -8.432 9.618 0.328 1.00 0.00 C ATOM 851 OD1 ASN A 66 -8.628 9.305 -0.846 1.00 0.00 O ATOM 852 ND2 ASN A 66 -9.416 9.747 1.210 1.00 0.00 N ATOM 0 H ASN A 66 -6.804 7.981 2.420 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.451 8.128 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.067 10.078 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -6.627 10.768 0.361 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -10.382 9.585 0.924 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.206 10.008 2.173 1.00 0.00 H new ATOM 859 N THR A 67 -4.151 10.046 1.146 1.00 0.00 N ATOM 860 CA THR A 67 -2.819 10.606 0.955 1.00 0.00 C ATOM 861 C THR A 67 -1.856 9.553 0.419 1.00 0.00 C ATOM 862 O THR A 67 -0.981 9.853 -0.393 1.00 0.00 O ATOM 863 CB THR A 67 -2.256 11.180 2.268 1.00 0.00 C ATOM 864 OG1 THR A 67 -3.144 12.176 2.789 1.00 0.00 O ATOM 865 CG2 THR A 67 -0.880 11.787 2.045 1.00 0.00 C ATOM 0 H THR A 67 -4.619 10.351 2.000 1.00 0.00 H new ATOM 0 HA THR A 67 -2.915 11.413 0.229 1.00 0.00 H new ATOM 0 HB THR A 67 -2.165 10.365 2.986 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.550 11.850 3.619 1.00 0.00 H new ATOM 0 HG21 THR A 67 -0.502 12.186 2.986 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.199 11.020 1.677 1.00 0.00 H new ATOM 0 HG23 THR A 67 -0.951 12.591 1.312 1.00 0.00 H new ATOM 873 N MET A 68 -2.025 8.317 0.877 1.00 0.00 N ATOM 874 CA MET A 68 -1.172 7.217 0.442 1.00 0.00 C ATOM 875 C MET A 68 -1.110 7.148 -1.080 1.00 0.00 C ATOM 876 O MET A 68 -0.055 7.359 -1.680 1.00 0.00 O ATOM 877 CB MET A 68 -1.696 5.891 1.001 1.00 0.00 C ATOM 878 CG MET A 68 -0.602 4.973 1.524 1.00 0.00 C ATOM 879 SD MET A 68 0.775 4.806 0.373 1.00 0.00 S ATOM 880 CE MET A 68 1.919 3.837 1.354 1.00 0.00 C ATOM 0 H MET A 68 -2.745 8.052 1.549 1.00 0.00 H new ATOM 0 HA MET A 68 -0.166 7.395 0.822 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.399 6.099 1.807 1.00 0.00 H new ATOM 0 HB3 MET A 68 -2.251 5.372 0.220 1.00 0.00 H new ATOM 0 HG2 MET A 68 -0.232 5.360 2.473 1.00 0.00 H new ATOM 0 HG3 MET A 68 -1.024 3.988 1.724 1.00 0.00 H new ATOM 0 HE1 MET A 68 2.914 4.279 1.295 1.00 0.00 H new ATOM 0 HE2 MET A 68 1.588 3.825 2.393 1.00 0.00 H new ATOM 0 HE3 MET A 68 1.952 2.817 0.972 1.00 0.00 H new ATOM 890 N VAL A 69 -2.249 6.853 -1.698 1.00 0.00 N ATOM 891 CA VAL A 69 -2.328 6.756 -3.149 1.00 0.00 C ATOM 892 C VAL A 69 -2.423 8.137 -3.789 1.00 0.00 C ATOM 893 O VAL A 69 -1.687 8.451 -4.724 1.00 0.00 O ATOM 894 CB VAL A 69 -3.543 5.917 -3.588 1.00 0.00 C ATOM 895 CG1 VAL A 69 -3.719 5.979 -5.097 1.00 0.00 C ATOM 896 CG2 VAL A 69 -3.394 4.477 -3.120 1.00 0.00 C ATOM 0 H VAL A 69 -3.130 6.677 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.414 6.266 -3.484 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.436 6.335 -3.125 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.582 5.380 -5.388 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.875 7.013 -5.403 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -2.826 5.588 -5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -4.261 3.899 -3.439 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.491 4.045 -3.553 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.322 4.453 -2.033 1.00 0.00 H new ATOM 906 N ASN A 70 -3.335 8.957 -3.277 1.00 0.00 N ATOM 907 CA ASN A 70 -3.529 10.305 -3.796 1.00 0.00 C ATOM 908 C ASN A 70 -2.190 10.979 -4.084 1.00 0.00 C ATOM 909 O ASN A 70 -1.929 11.408 -5.208 1.00 0.00 O ATOM 910 CB ASN A 70 -4.333 11.145 -2.803 1.00 0.00 C ATOM 911 CG ASN A 70 -4.619 12.540 -3.325 1.00 0.00 C ATOM 912 OD1 ASN A 70 -4.346 13.535 -2.653 1.00 0.00 O ATOM 913 ND2 ASN A 70 -5.174 12.620 -4.528 1.00 0.00 N ATOM 0 H ASN A 70 -3.952 8.711 -2.503 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.084 10.229 -4.731 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.275 10.642 -2.584 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.784 11.217 -1.864 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.391 13.532 -4.930 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.384 11.769 -5.051 1.00 0.00 H new ATOM 920 N TYR A 71 -1.347 11.069 -3.061 1.00 0.00 N ATOM 921 CA TYR A 71 -0.036 11.693 -3.205 1.00 0.00 C ATOM 922 C TYR A 71 0.816 10.948 -4.227 1.00 0.00 C ATOM 923 O TYR A 71 1.382 11.556 -5.137 1.00 0.00 O ATOM 924 CB TYR A 71 0.688 11.733 -1.858 1.00 0.00 C ATOM 925 CG TYR A 71 2.007 12.471 -1.906 1.00 0.00 C ATOM 926 CD1 TYR A 71 2.054 13.854 -1.781 1.00 0.00 C ATOM 927 CD2 TYR A 71 3.203 11.786 -2.077 1.00 0.00 C ATOM 928 CE1 TYR A 71 3.256 14.533 -1.825 1.00 0.00 C ATOM 929 CE2 TYR A 71 4.410 12.459 -2.123 1.00 0.00 C ATOM 930 CZ TYR A 71 4.431 13.831 -1.996 1.00 0.00 C ATOM 931 OH TYR A 71 5.630 14.505 -2.042 1.00 0.00 O ATOM 0 H TYR A 71 -1.547 10.718 -2.124 1.00 0.00 H new ATOM 0 HA TYR A 71 -0.189 12.713 -3.559 1.00 0.00 H new ATOM 0 HB2 TYR A 71 0.041 12.208 -1.120 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.863 10.712 -1.518 1.00 0.00 H new ATOM 0 HD1 TYR A 71 1.136 14.407 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 71 3.190 10.711 -2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 71 3.276 15.608 -1.726 1.00 0.00 H new ATOM 0 HE2 TYR A 71 5.332 11.912 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 71 6.361 13.864 -2.166 1.00 0.00 H new ATOM 941 N TYR A 72 0.907 9.631 -4.072 1.00 0.00 N ATOM 942 CA TYR A 72 1.696 8.810 -4.983 1.00 0.00 C ATOM 943 C TYR A 72 0.999 8.654 -6.332 1.00 0.00 C ATOM 944 O TYR A 72 1.520 8.002 -7.236 1.00 0.00 O ATOM 945 CB TYR A 72 1.959 7.434 -4.368 1.00 0.00 C ATOM 946 CG TYR A 72 2.860 7.475 -3.153 1.00 0.00 C ATOM 947 CD1 TYR A 72 3.826 8.465 -3.010 1.00 0.00 C ATOM 948 CD2 TYR A 72 2.746 6.522 -2.148 1.00 0.00 C ATOM 949 CE1 TYR A 72 4.649 8.504 -1.902 1.00 0.00 C ATOM 950 CE2 TYR A 72 3.567 6.556 -1.036 1.00 0.00 C ATOM 951 CZ TYR A 72 4.516 7.548 -0.919 1.00 0.00 C ATOM 952 OH TYR A 72 5.335 7.586 0.187 1.00 0.00 O ATOM 0 H TYR A 72 0.445 9.111 -3.326 1.00 0.00 H new ATOM 0 HA TYR A 72 2.648 9.315 -5.148 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.007 6.982 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.409 6.788 -5.122 1.00 0.00 H new ATOM 0 HD1 TYR A 72 3.934 9.216 -3.779 1.00 0.00 H new ATOM 0 HD2 TYR A 72 2.004 5.742 -2.237 1.00 0.00 H new ATOM 0 HE1 TYR A 72 5.394 9.280 -1.806 1.00 0.00 H new ATOM 0 HE2 TYR A 72 3.465 5.809 -0.263 1.00 0.00 H new ATOM 0 HH TYR A 72 4.831 7.925 0.956 1.00 0.00 H new ATOM 962 N THR A 73 -0.178 9.258 -6.464 1.00 0.00 N ATOM 963 CA THR A 73 -0.934 9.184 -7.708 1.00 0.00 C ATOM 964 C THR A 73 -0.067 9.584 -8.897 1.00 0.00 C ATOM 965 O THR A 73 -0.366 9.241 -10.041 1.00 0.00 O ATOM 966 CB THR A 73 -2.177 10.092 -7.665 1.00 0.00 C ATOM 967 OG1 THR A 73 -3.041 9.692 -6.596 1.00 0.00 O ATOM 968 CG2 THR A 73 -2.935 10.034 -8.984 1.00 0.00 C ATOM 0 H THR A 73 -0.627 9.802 -5.727 1.00 0.00 H new ATOM 0 HA THR A 73 -1.255 8.149 -7.825 1.00 0.00 H new ATOM 0 HB THR A 73 -1.845 11.117 -7.498 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.628 8.955 -6.100 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.809 10.683 -8.930 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.284 10.368 -9.792 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.255 9.010 -9.175 1.00 0.00 H new ATOM 976 N SER A 74 1.010 10.312 -8.617 1.00 0.00 N ATOM 977 CA SER A 74 1.925 10.759 -9.661 1.00 0.00 C ATOM 978 C SER A 74 3.361 10.367 -9.328 1.00 0.00 C ATOM 979 O SER A 74 4.054 9.760 -10.145 1.00 0.00 O ATOM 980 CB SER A 74 1.826 12.275 -9.838 1.00 0.00 C ATOM 981 OG SER A 74 2.375 12.680 -11.081 1.00 0.00 O ATOM 0 H SER A 74 1.270 10.605 -7.675 1.00 0.00 H new ATOM 0 HA SER A 74 1.641 10.272 -10.594 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.782 12.584 -9.780 1.00 0.00 H new ATOM 0 HB3 SER A 74 2.352 12.775 -9.024 1.00 0.00 H new ATOM 0 HG SER A 74 2.298 13.653 -11.171 1.00 0.00 H new ATOM 987 N VAL A 75 3.801 10.716 -8.124 1.00 0.00 N ATOM 988 CA VAL A 75 5.153 10.400 -7.680 1.00 0.00 C ATOM 989 C VAL A 75 5.199 9.040 -6.991 1.00 0.00 C ATOM 990 O VAL A 75 4.480 8.801 -6.021 1.00 0.00 O ATOM 991 CB VAL A 75 5.691 11.471 -6.713 1.00 0.00 C ATOM 992 CG1 VAL A 75 4.666 11.777 -5.632 1.00 0.00 C ATOM 993 CG2 VAL A 75 7.008 11.020 -6.098 1.00 0.00 C ATOM 0 H VAL A 75 3.239 11.219 -7.437 1.00 0.00 H new ATOM 0 HA VAL A 75 5.782 10.376 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 75 5.874 12.386 -7.277 1.00 0.00 H new ATOM 0 HG11 VAL A 75 5.064 12.536 -4.958 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.750 12.145 -6.093 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.449 10.869 -5.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 7.374 11.789 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 75 6.854 10.092 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 75 7.741 10.856 -6.888 1.00 0.00 H new ATOM 1003 N THR A 76 6.046 8.151 -7.499 1.00 0.00 N ATOM 1004 CA THR A 76 6.181 6.817 -6.934 1.00 0.00 C ATOM 1005 C THR A 76 7.395 6.734 -6.012 1.00 0.00 C ATOM 1006 O THR A 76 8.439 7.324 -6.292 1.00 0.00 O ATOM 1007 CB THR A 76 6.305 5.758 -8.050 1.00 0.00 C ATOM 1008 OG1 THR A 76 5.003 5.393 -8.523 1.00 0.00 O ATOM 1009 CG2 THR A 76 7.030 4.517 -7.554 1.00 0.00 C ATOM 0 H THR A 76 6.649 8.332 -8.302 1.00 0.00 H new ATOM 0 HA THR A 76 5.282 6.615 -6.351 1.00 0.00 H new ATOM 0 HB THR A 76 6.885 6.194 -8.864 1.00 0.00 H new ATOM 0 HG1 THR A 76 5.084 4.670 -9.179 1.00 0.00 H new ATOM 0 HG21 THR A 76 7.102 3.790 -8.363 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.032 4.789 -7.221 1.00 0.00 H new ATOM 0 HG23 THR A 76 6.477 4.081 -6.722 1.00 0.00 H new ATOM 1017 N PRO A 77 7.275 5.992 -4.898 1.00 0.00 N ATOM 1018 CA PRO A 77 8.346 5.820 -3.939 1.00 0.00 C ATOM 1019 C PRO A 77 9.121 4.525 -4.163 1.00 0.00 C ATOM 1020 O PRO A 77 8.606 3.435 -3.920 1.00 0.00 O ATOM 1021 CB PRO A 77 7.585 5.770 -2.613 1.00 0.00 C ATOM 1022 CG PRO A 77 6.193 5.308 -2.958 1.00 0.00 C ATOM 1023 CD PRO A 77 6.088 5.252 -4.463 1.00 0.00 C ATOM 0 HA PRO A 77 9.098 6.607 -3.998 1.00 0.00 H new ATOM 0 HB2 PRO A 77 8.063 5.084 -1.913 1.00 0.00 H new ATOM 0 HB3 PRO A 77 7.565 6.750 -2.136 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.997 4.327 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 77 5.450 5.992 -2.548 1.00 0.00 H new ATOM 0 HD2 PRO A 77 6.093 4.226 -4.831 1.00 0.00 H new ATOM 0 HD3 PRO A 77 5.169 5.715 -4.822 1.00 0.00 H new ATOM 1031 N VAL A 78 10.360 4.650 -4.627 1.00 0.00 N ATOM 1032 CA VAL A 78 11.197 3.484 -4.881 1.00 0.00 C ATOM 1033 C VAL A 78 12.197 3.269 -3.744 1.00 0.00 C ATOM 1034 O VAL A 78 12.226 4.029 -2.777 1.00 0.00 O ATOM 1035 CB VAL A 78 11.940 3.598 -6.242 1.00 0.00 C ATOM 1036 CG1 VAL A 78 11.319 4.691 -7.100 1.00 0.00 C ATOM 1037 CG2 VAL A 78 13.436 3.849 -6.063 1.00 0.00 C ATOM 0 H VAL A 78 10.805 5.544 -4.834 1.00 0.00 H new ATOM 0 HA VAL A 78 10.538 2.617 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 78 11.829 2.640 -6.750 1.00 0.00 H new ATOM 0 HG11 VAL A 78 11.852 4.756 -8.048 1.00 0.00 H new ATOM 0 HG12 VAL A 78 10.272 4.455 -7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.388 5.646 -6.579 1.00 0.00 H new ATOM 0 HG21 VAL A 78 13.912 3.921 -7.041 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.586 4.780 -5.517 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.879 3.025 -5.504 1.00 0.00 H new ATOM 1047 N LEU A 79 13.014 2.231 -3.877 1.00 0.00 N ATOM 1048 CA LEU A 79 14.018 1.914 -2.870 1.00 0.00 C ATOM 1049 C LEU A 79 15.173 1.134 -3.488 1.00 0.00 C ATOM 1050 O LEU A 79 14.972 0.074 -4.082 1.00 0.00 O ATOM 1051 CB LEU A 79 13.394 1.105 -1.734 1.00 0.00 C ATOM 1052 CG LEU A 79 11.894 0.836 -1.877 1.00 0.00 C ATOM 1053 CD1 LEU A 79 11.488 -0.376 -1.053 1.00 0.00 C ATOM 1054 CD2 LEU A 79 11.090 2.061 -1.461 1.00 0.00 C ATOM 0 H LEU A 79 13.000 1.594 -4.674 1.00 0.00 H new ATOM 0 HA LEU A 79 14.405 2.851 -2.468 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.913 0.150 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 79 13.565 1.633 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 79 11.680 0.625 -2.925 1.00 0.00 H new ATOM 0 HD11 LEU A 79 10.418 -0.552 -1.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 12.038 -1.251 -1.398 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.716 -0.195 -0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 79 10.026 1.852 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 79 11.308 2.303 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 79 11.360 2.906 -2.095 1.00 0.00 H new ATOM 1066 N ARG A 80 16.382 1.665 -3.349 1.00 0.00 N ATOM 1067 CA ARG A 80 17.566 1.017 -3.899 1.00 0.00 C ATOM 1068 C ARG A 80 17.483 0.943 -5.420 1.00 0.00 C ATOM 1069 O ARG A 80 18.269 0.246 -6.062 1.00 0.00 O ATOM 1070 CB ARG A 80 17.720 -0.389 -3.315 1.00 0.00 C ATOM 1071 CG ARG A 80 19.080 -1.014 -3.585 1.00 0.00 C ATOM 1072 CD ARG A 80 19.023 -2.531 -3.495 1.00 0.00 C ATOM 1073 NE ARG A 80 19.256 -3.165 -4.789 1.00 0.00 N ATOM 1074 CZ ARG A 80 19.251 -4.482 -4.974 1.00 0.00 C ATOM 1075 NH1 ARG A 80 19.027 -5.297 -3.953 1.00 0.00 N ATOM 1076 NH2 ARG A 80 19.471 -4.985 -6.182 1.00 0.00 N ATOM 0 H ARG A 80 16.568 2.541 -2.861 1.00 0.00 H new ATOM 0 HA ARG A 80 18.438 1.612 -3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 80 17.556 -0.346 -2.238 1.00 0.00 H new ATOM 0 HB3 ARG A 80 16.945 -1.033 -3.730 1.00 0.00 H new ATOM 0 HG2 ARG A 80 19.427 -0.720 -4.576 1.00 0.00 H new ATOM 0 HG3 ARG A 80 19.806 -0.633 -2.867 1.00 0.00 H new ATOM 0 HD2 ARG A 80 19.769 -2.880 -2.781 1.00 0.00 H new ATOM 0 HD3 ARG A 80 18.049 -2.835 -3.113 1.00 0.00 H new ATOM 0 HE ARG A 80 19.432 -2.565 -5.595 1.00 0.00 H new ATOM 0 HH11 ARG A 80 18.858 -4.914 -3.023 1.00 0.00 H new ATOM 0 HH12 ARG A 80 19.024 -6.307 -4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.644 -4.361 -6.970 1.00 0.00 H new ATOM 0 HH22 ARG A 80 19.467 -5.995 -6.322 1.00 0.00 H new ATOM 1090 N GLY A 81 16.523 1.666 -5.991 1.00 0.00 N ATOM 1091 CA GLY A 81 16.353 1.670 -7.431 1.00 0.00 C ATOM 1092 C GLY A 81 15.220 0.770 -7.884 1.00 0.00 C ATOM 1093 O GLY A 81 15.164 0.370 -9.047 1.00 0.00 O ATOM 0 H GLY A 81 15.860 2.249 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 81 16.161 2.689 -7.768 1.00 0.00 H new ATOM 0 HA3 GLY A 81 17.280 1.347 -7.904 1.00 0.00 H new ATOM 1097 N GLN A 82 14.314 0.452 -6.964 1.00 0.00 N ATOM 1098 CA GLN A 82 13.176 -0.406 -7.279 1.00 0.00 C ATOM 1099 C GLN A 82 11.864 0.352 -7.114 1.00 0.00 C ATOM 1100 O GLN A 82 11.345 0.483 -6.006 1.00 0.00 O ATOM 1101 CB GLN A 82 13.181 -1.645 -6.383 1.00 0.00 C ATOM 1102 CG GLN A 82 14.573 -2.180 -6.090 1.00 0.00 C ATOM 1103 CD GLN A 82 15.106 -3.062 -7.203 1.00 0.00 C ATOM 1104 OE1 GLN A 82 15.011 -2.720 -8.381 1.00 0.00 O ATOM 1105 NE2 GLN A 82 15.670 -4.206 -6.833 1.00 0.00 N ATOM 0 H GLN A 82 14.345 0.774 -5.997 1.00 0.00 H new ATOM 0 HA GLN A 82 13.265 -0.720 -8.319 1.00 0.00 H new ATOM 0 HB2 GLN A 82 12.688 -1.404 -5.441 1.00 0.00 H new ATOM 0 HB3 GLN A 82 12.592 -2.429 -6.859 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.255 -1.343 -5.937 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.551 -2.748 -5.160 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.728 -4.450 -5.844 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.046 -4.841 -7.538 1.00 0.00 H new ATOM 1114 N PRO A 83 11.316 0.867 -8.223 1.00 0.00 N ATOM 1115 CA PRO A 83 10.061 1.624 -8.215 1.00 0.00 C ATOM 1116 C PRO A 83 8.859 0.759 -7.855 1.00 0.00 C ATOM 1117 O PRO A 83 8.497 -0.158 -8.593 1.00 0.00 O ATOM 1118 CB PRO A 83 9.931 2.138 -9.657 1.00 0.00 C ATOM 1119 CG PRO A 83 11.273 1.939 -10.275 1.00 0.00 C ATOM 1120 CD PRO A 83 11.881 0.760 -9.573 1.00 0.00 C ATOM 0 HA PRO A 83 10.079 2.416 -7.467 1.00 0.00 H new ATOM 0 HB2 PRO A 83 9.163 1.588 -10.201 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.643 3.189 -9.674 1.00 0.00 H new ATOM 0 HG2 PRO A 83 11.186 1.753 -11.346 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.893 2.827 -10.155 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.611 -0.181 -10.052 1.00 0.00 H new ATOM 0 HD3 PRO A 83 12.970 0.811 -9.562 1.00 0.00 H new ATOM 1128 N ILE A 84 8.236 1.064 -6.722 1.00 0.00 N ATOM 1129 CA ILE A 84 7.067 0.321 -6.268 1.00 0.00 C ATOM 1130 C ILE A 84 5.876 1.258 -6.091 1.00 0.00 C ATOM 1131 O ILE A 84 5.840 2.068 -5.164 1.00 0.00 O ATOM 1132 CB ILE A 84 7.345 -0.423 -4.947 1.00 0.00 C ATOM 1133 CG1 ILE A 84 7.501 0.566 -3.789 1.00 0.00 C ATOM 1134 CG2 ILE A 84 8.595 -1.282 -5.084 1.00 0.00 C ATOM 1135 CD1 ILE A 84 8.176 -0.029 -2.570 1.00 0.00 C ATOM 0 H ILE A 84 8.521 1.821 -6.101 1.00 0.00 H new ATOM 0 HA ILE A 84 6.834 -0.420 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 84 6.495 -1.070 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 84 8.079 1.425 -4.131 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.517 0.937 -3.504 1.00 0.00 H new ATOM 0 HG21 ILE A 84 8.783 -1.803 -4.145 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.450 -2.011 -5.881 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.448 -0.647 -5.323 1.00 0.00 H new ATOM 0 HD11 ILE A 84 8.252 0.729 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 84 7.588 -0.870 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 84 9.174 -0.375 -2.839 1.00 0.00 H new ATOM 1147 N TYR A 85 4.910 1.151 -6.999 1.00 0.00 N ATOM 1148 CA TYR A 85 3.722 1.998 -6.964 1.00 0.00 C ATOM 1149 C TYR A 85 2.744 1.552 -5.881 1.00 0.00 C ATOM 1150 O TYR A 85 2.673 0.372 -5.539 1.00 0.00 O ATOM 1151 CB TYR A 85 3.024 1.983 -8.327 1.00 0.00 C ATOM 1152 CG TYR A 85 3.786 2.713 -9.409 1.00 0.00 C ATOM 1153 CD1 TYR A 85 5.107 2.390 -9.697 1.00 0.00 C ATOM 1154 CD2 TYR A 85 3.184 3.726 -10.147 1.00 0.00 C ATOM 1155 CE1 TYR A 85 5.805 3.054 -10.686 1.00 0.00 C ATOM 1156 CE2 TYR A 85 3.876 4.395 -11.139 1.00 0.00 C ATOM 1157 CZ TYR A 85 5.185 4.054 -11.404 1.00 0.00 C ATOM 1158 OH TYR A 85 5.878 4.719 -12.391 1.00 0.00 O ATOM 0 H TYR A 85 4.927 0.484 -7.770 1.00 0.00 H new ATOM 0 HA TYR A 85 4.047 3.012 -6.729 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.873 0.949 -8.636 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.036 2.433 -8.224 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.596 1.606 -9.137 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.158 3.995 -9.942 1.00 0.00 H new ATOM 0 HE1 TYR A 85 6.831 2.791 -10.896 1.00 0.00 H new ATOM 0 HE2 TYR A 85 3.394 5.180 -11.703 1.00 0.00 H new ATOM 0 HH TYR A 85 5.297 5.393 -12.801 1.00 0.00 H new ATOM 1168 N ILE A 86 1.988 2.510 -5.354 1.00 0.00 N ATOM 1169 CA ILE A 86 1.006 2.236 -4.318 1.00 0.00 C ATOM 1170 C ILE A 86 -0.366 2.766 -4.733 1.00 0.00 C ATOM 1171 O ILE A 86 -0.584 3.976 -4.787 1.00 0.00 O ATOM 1172 CB ILE A 86 1.428 2.875 -2.977 1.00 0.00 C ATOM 1173 CG1 ILE A 86 2.494 2.018 -2.293 1.00 0.00 C ATOM 1174 CG2 ILE A 86 0.229 3.062 -2.062 1.00 0.00 C ATOM 1175 CD1 ILE A 86 3.541 2.828 -1.560 1.00 0.00 C ATOM 0 H ILE A 86 2.040 3.490 -5.632 1.00 0.00 H new ATOM 0 HA ILE A 86 0.948 1.156 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 86 1.850 3.858 -3.186 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.009 1.343 -1.588 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.985 1.397 -3.042 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.554 3.514 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.499 3.713 -2.545 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.228 2.094 -1.859 1.00 0.00 H new ATOM 0 HD11 ILE A 86 4.264 2.155 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.053 3.484 -2.264 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.061 3.429 -0.788 1.00 0.00 H new ATOM 1187 N GLN A 87 -1.286 1.853 -5.031 1.00 0.00 N ATOM 1188 CA GLN A 87 -2.632 2.235 -5.446 1.00 0.00 C ATOM 1189 C GLN A 87 -3.676 1.738 -4.451 1.00 0.00 C ATOM 1190 O GLN A 87 -3.359 1.001 -3.517 1.00 0.00 O ATOM 1191 CB GLN A 87 -2.934 1.681 -6.840 1.00 0.00 C ATOM 1192 CG GLN A 87 -1.914 2.089 -7.890 1.00 0.00 C ATOM 1193 CD GLN A 87 -2.559 2.676 -9.131 1.00 0.00 C ATOM 1194 OE1 GLN A 87 -3.589 2.191 -9.597 1.00 0.00 O ATOM 1195 NE2 GLN A 87 -1.951 3.726 -9.673 1.00 0.00 N ATOM 0 H GLN A 87 -1.125 0.847 -4.993 1.00 0.00 H new ATOM 0 HA GLN A 87 -2.678 3.324 -5.475 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -2.975 0.593 -6.789 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.921 2.023 -7.152 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -1.228 2.820 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -1.319 1.220 -8.171 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -1.098 4.095 -9.252 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -2.337 4.163 -10.510 1.00 0.00 H new ATOM 1204 N PHE A 88 -4.923 2.149 -4.659 1.00 0.00 N ATOM 1205 CA PHE A 88 -6.019 1.750 -3.783 1.00 0.00 C ATOM 1206 C PHE A 88 -6.371 0.280 -3.985 1.00 0.00 C ATOM 1207 O PHE A 88 -6.108 -0.293 -5.043 1.00 0.00 O ATOM 1208 CB PHE A 88 -7.251 2.618 -4.043 1.00 0.00 C ATOM 1209 CG PHE A 88 -7.066 4.058 -3.658 1.00 0.00 C ATOM 1210 CD1 PHE A 88 -6.753 4.407 -2.354 1.00 0.00 C ATOM 1211 CD2 PHE A 88 -7.208 5.063 -4.602 1.00 0.00 C ATOM 1212 CE1 PHE A 88 -6.583 5.732 -1.998 1.00 0.00 C ATOM 1213 CE2 PHE A 88 -7.041 6.389 -4.252 1.00 0.00 C ATOM 1214 CZ PHE A 88 -6.728 6.724 -2.948 1.00 0.00 C ATOM 0 H PHE A 88 -5.200 2.759 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.694 1.890 -2.752 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.506 2.564 -5.101 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -8.096 2.209 -3.490 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.641 3.635 -1.607 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.452 4.807 -5.622 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.337 5.991 -0.979 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -7.155 7.163 -4.997 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.597 7.760 -2.672 1.00 0.00 H new ATOM 1224 N SER A 89 -6.969 -0.324 -2.964 1.00 0.00 N ATOM 1225 CA SER A 89 -7.361 -1.729 -3.027 1.00 0.00 C ATOM 1226 C SER A 89 -8.867 -1.882 -2.837 1.00 0.00 C ATOM 1227 O SER A 89 -9.488 -1.128 -2.090 1.00 0.00 O ATOM 1228 CB SER A 89 -6.618 -2.534 -1.959 1.00 0.00 C ATOM 1229 OG SER A 89 -6.586 -3.911 -2.288 1.00 0.00 O ATOM 0 H SER A 89 -7.193 0.137 -2.082 1.00 0.00 H new ATOM 0 HA SER A 89 -7.096 -2.111 -4.013 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.600 -2.157 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 89 -7.105 -2.399 -0.993 1.00 0.00 H new ATOM 0 HG SER A 89 -6.725 -4.444 -1.478 1.00 0.00 H new ATOM 1235 N ASN A 90 -9.448 -2.865 -3.520 1.00 0.00 N ATOM 1236 CA ASN A 90 -10.882 -3.117 -3.424 1.00 0.00 C ATOM 1237 C ASN A 90 -11.262 -3.548 -2.011 1.00 0.00 C ATOM 1238 O ASN A 90 -11.706 -4.676 -1.792 1.00 0.00 O ATOM 1239 CB ASN A 90 -11.300 -4.192 -4.428 1.00 0.00 C ATOM 1240 CG ASN A 90 -12.140 -3.631 -5.559 1.00 0.00 C ATOM 1241 OD1 ASN A 90 -12.472 -2.445 -5.572 1.00 0.00 O ATOM 1242 ND2 ASN A 90 -12.489 -4.482 -6.516 1.00 0.00 N ATOM 0 H ASN A 90 -8.949 -3.498 -4.144 1.00 0.00 H new ATOM 0 HA ASN A 90 -11.407 -2.190 -3.657 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -10.409 -4.666 -4.841 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -11.864 -4.969 -3.911 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -13.054 -4.162 -7.302 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -12.192 -5.456 -6.465 1.00 0.00 H new ATOM 1249 N HIS A 91 -11.082 -2.643 -1.056 1.00 0.00 N ATOM 1250 CA HIS A 91 -11.401 -2.925 0.339 1.00 0.00 C ATOM 1251 C HIS A 91 -11.036 -4.356 0.703 1.00 0.00 C ATOM 1252 O HIS A 91 -9.903 -4.636 1.095 1.00 0.00 O ATOM 1253 CB HIS A 91 -12.887 -2.677 0.609 1.00 0.00 C ATOM 1254 CG HIS A 91 -13.314 -3.052 1.994 1.00 0.00 C ATOM 1255 ND1 HIS A 91 -13.081 -2.255 3.096 1.00 0.00 N ATOM 1256 CD2 HIS A 91 -13.966 -4.145 2.455 1.00 0.00 C ATOM 1257 CE1 HIS A 91 -13.571 -2.844 4.174 1.00 0.00 C ATOM 1258 NE2 HIS A 91 -14.113 -3.991 3.812 1.00 0.00 N ATOM 0 H HIS A 91 -10.716 -1.706 -1.223 1.00 0.00 H new ATOM 0 HA HIS A 91 -10.812 -2.251 0.961 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -13.107 -1.622 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -13.478 -3.243 -0.111 1.00 0.00 H new ATOM 0 HD1 HIS A 91 -12.605 -1.353 3.081 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -14.307 -4.983 1.865 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -13.534 -2.452 5.180 1.00 0.00 H new ATOM 1267 N LYS A 92 -11.997 -5.263 0.577 1.00 0.00 N ATOM 1268 CA LYS A 92 -11.759 -6.660 0.899 1.00 0.00 C ATOM 1269 C LYS A 92 -11.155 -6.782 2.297 1.00 0.00 C ATOM 1270 O LYS A 92 -9.943 -6.931 2.455 1.00 0.00 O ATOM 1271 CB LYS A 92 -10.837 -7.289 -0.153 1.00 0.00 C ATOM 1272 CG LYS A 92 -9.947 -8.398 0.379 1.00 0.00 C ATOM 1273 CD LYS A 92 -9.864 -9.564 -0.592 1.00 0.00 C ATOM 1274 CE LYS A 92 -10.581 -10.790 -0.052 1.00 0.00 C ATOM 1275 NZ LYS A 92 -11.104 -11.655 -1.145 1.00 0.00 N ATOM 0 H LYS A 92 -12.943 -5.056 0.256 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.708 -7.197 0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -11.448 -7.687 -0.963 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.208 -6.508 -0.581 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -8.947 -8.006 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -10.334 -8.748 1.336 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -10.303 -9.276 -1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -8.819 -9.807 -0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -9.896 -11.366 0.570 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -11.405 -10.476 0.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -11.586 -12.480 -0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -11.777 -11.114 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -10.315 -11.976 -1.741 1.00 0.00 H new ATOM 1289 N GLU A 93 -12.011 -6.710 3.311 1.00 0.00 N ATOM 1290 CA GLU A 93 -11.565 -6.806 4.695 1.00 0.00 C ATOM 1291 C GLU A 93 -10.632 -7.998 4.885 1.00 0.00 C ATOM 1292 O GLU A 93 -11.024 -9.146 4.675 1.00 0.00 O ATOM 1293 CB GLU A 93 -12.765 -6.930 5.634 1.00 0.00 C ATOM 1294 CG GLU A 93 -13.087 -5.646 6.381 1.00 0.00 C ATOM 1295 CD GLU A 93 -11.949 -5.188 7.271 1.00 0.00 C ATOM 1296 OE1 GLU A 93 -10.960 -4.643 6.735 1.00 0.00 O ATOM 1297 OE2 GLU A 93 -12.044 -5.373 8.502 1.00 0.00 O ATOM 0 H GLU A 93 -13.017 -6.586 3.200 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.017 -5.895 4.936 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.638 -7.233 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.570 -7.722 6.357 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.320 -4.860 5.662 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.980 -5.797 6.988 1.00 0.00 H new ATOM 1304 N LEU A 94 -9.396 -7.718 5.285 1.00 0.00 N ATOM 1305 CA LEU A 94 -8.407 -8.768 5.503 1.00 0.00 C ATOM 1306 C LEU A 94 -8.722 -9.555 6.770 1.00 0.00 C ATOM 1307 O LEU A 94 -9.284 -9.017 7.724 1.00 0.00 O ATOM 1308 CB LEU A 94 -7.004 -8.164 5.598 1.00 0.00 C ATOM 1309 CG LEU A 94 -6.618 -7.237 4.444 1.00 0.00 C ATOM 1310 CD1 LEU A 94 -5.143 -6.878 4.519 1.00 0.00 C ATOM 1311 CD2 LEU A 94 -6.943 -7.887 3.108 1.00 0.00 C ATOM 0 H LEU A 94 -9.055 -6.774 5.465 1.00 0.00 H new ATOM 0 HA LEU A 94 -8.444 -9.451 4.654 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.927 -7.607 6.532 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.278 -8.976 5.650 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.199 -6.319 4.530 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.887 -6.218 3.690 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.939 -6.372 5.462 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.544 -7.787 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.662 -7.214 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.388 -8.820 3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.012 -8.093 3.054 1.00 0.00 H new ATOM 1323 N LYS A 95 -8.358 -10.833 6.773 1.00 0.00 N ATOM 1324 CA LYS A 95 -8.603 -11.696 7.922 1.00 0.00 C ATOM 1325 C LYS A 95 -7.389 -12.570 8.219 1.00 0.00 C ATOM 1326 O LYS A 95 -6.771 -13.120 7.307 1.00 0.00 O ATOM 1327 CB LYS A 95 -9.829 -12.574 7.673 1.00 0.00 C ATOM 1328 CG LYS A 95 -10.188 -12.708 6.204 1.00 0.00 C ATOM 1329 CD LYS A 95 -11.627 -13.161 6.019 1.00 0.00 C ATOM 1330 CE LYS A 95 -12.158 -12.784 4.645 1.00 0.00 C ATOM 1331 NZ LYS A 95 -13.549 -12.259 4.712 1.00 0.00 N ATOM 0 H LYS A 95 -7.892 -11.294 5.992 1.00 0.00 H new ATOM 0 HA LYS A 95 -8.788 -11.060 8.788 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -9.646 -13.566 8.086 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -10.680 -12.157 8.211 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -10.040 -11.751 5.704 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -9.517 -13.423 5.729 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -11.689 -14.241 6.150 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -12.253 -12.710 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.507 -12.032 4.198 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -12.131 -13.657 3.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -13.874 -12.014 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -14.175 -12.985 5.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.571 -11.411 5.313 1.00 0.00 H new ATOM 1345 N THR A 96 -7.053 -12.694 9.499 1.00 0.00 N ATOM 1346 CA THR A 96 -5.914 -13.502 9.914 1.00 0.00 C ATOM 1347 C THR A 96 -6.318 -14.513 10.981 1.00 0.00 C ATOM 1348 O THR A 96 -7.002 -14.173 11.946 1.00 0.00 O ATOM 1349 CB THR A 96 -4.772 -12.625 10.461 1.00 0.00 C ATOM 1350 OG1 THR A 96 -4.354 -11.686 9.463 1.00 0.00 O ATOM 1351 CG2 THR A 96 -3.588 -13.482 10.885 1.00 0.00 C ATOM 0 H THR A 96 -7.554 -12.245 10.266 1.00 0.00 H new ATOM 0 HA THR A 96 -5.563 -14.032 9.028 1.00 0.00 H new ATOM 0 HB THR A 96 -5.142 -12.087 11.333 1.00 0.00 H new ATOM 0 HG1 THR A 96 -3.629 -11.131 9.819 1.00 0.00 H new ATOM 0 HG21 THR A 96 -2.794 -12.841 11.268 1.00 0.00 H new ATOM 0 HG22 THR A 96 -3.902 -14.176 11.665 1.00 0.00 H new ATOM 0 HG23 THR A 96 -3.219 -14.043 10.027 1.00 0.00 H new ATOM 1359 N ASP A 97 -5.889 -15.759 10.801 1.00 0.00 N ATOM 1360 CA ASP A 97 -6.206 -16.821 11.749 1.00 0.00 C ATOM 1361 C ASP A 97 -5.717 -16.465 13.149 1.00 0.00 C ATOM 1362 O ASP A 97 -5.063 -15.440 13.348 1.00 0.00 O ATOM 1363 CB ASP A 97 -5.578 -18.140 11.297 1.00 0.00 C ATOM 1364 CG ASP A 97 -6.544 -18.997 10.502 1.00 0.00 C ATOM 1365 OD1 ASP A 97 -7.715 -18.588 10.353 1.00 0.00 O ATOM 1366 OD2 ASP A 97 -6.131 -20.077 10.032 1.00 0.00 O ATOM 0 H ASP A 97 -5.321 -16.057 10.008 1.00 0.00 H new ATOM 0 HA ASP A 97 -7.290 -16.934 11.781 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -4.697 -17.931 10.690 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -5.238 -18.696 12.171 1.00 0.00 H new ATOM 1371 N SER A 98 -6.037 -17.318 14.117 1.00 0.00 N ATOM 1372 CA SER A 98 -5.630 -17.094 15.500 1.00 0.00 C ATOM 1373 C SER A 98 -5.931 -15.662 15.931 1.00 0.00 C ATOM 1374 O SER A 98 -5.047 -14.805 15.929 1.00 0.00 O ATOM 1375 CB SER A 98 -4.139 -17.387 15.669 1.00 0.00 C ATOM 1376 OG SER A 98 -3.871 -17.954 16.940 1.00 0.00 O ATOM 0 H SER A 98 -6.577 -18.171 13.969 1.00 0.00 H new ATOM 0 HA SER A 98 -6.200 -17.773 16.134 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.808 -18.069 14.886 1.00 0.00 H new ATOM 0 HB3 SER A 98 -3.569 -16.466 15.551 1.00 0.00 H new ATOM 0 HG SER A 98 -2.911 -18.134 17.022 1.00 0.00 H new ATOM 1382 N SER A 99 -7.183 -15.410 16.298 1.00 0.00 N ATOM 1383 CA SER A 99 -7.599 -14.082 16.731 1.00 0.00 C ATOM 1384 C SER A 99 -6.863 -13.668 18.001 1.00 0.00 C ATOM 1385 O SER A 99 -5.620 -13.786 18.029 1.00 0.00 O ATOM 1386 CB SER A 99 -9.110 -14.051 16.972 1.00 0.00 C ATOM 1387 OG SER A 99 -9.615 -15.353 17.212 1.00 0.00 O ATOM 0 H SER A 99 -7.927 -16.108 16.304 1.00 0.00 H new ATOM 0 HA SER A 99 -7.349 -13.375 15.940 1.00 0.00 H new ATOM 0 HB2 SER A 99 -9.332 -13.409 17.824 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.611 -13.617 16.106 1.00 0.00 H new ATOM 0 HG SER A 99 -10.582 -15.306 17.365 1.00 0.00 H new TER 1393 SER A 99