USER MOD reduce.3.24.130724 H: found=0, std=0, add=991, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 989 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 46 THR OG1 : rot 180:sc=-0.00653 USER MOD Set 1.2: A 115 GLN : amide:sc= -4.07! C(o=-4.1!,f=-12!) USER MOD Set 2.1: A 89 THR OG1 : rot -160:sc= 0.00284 USER MOD Set 2.2: A 124 GLN : amide:sc= 0.00115 K(o=0.004,f=-2.4!) USER MOD Set 3.1: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 86 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Set 4.1: A 8 MET CE :methyl 158:sc= -0.159 (180deg=-0.705) USER MOD Set 4.2: A 13 GLN : amide:sc= -0.239 K(o=-0.4,f=-2.6) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 8:sc= 0.604 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot -12:sc= 0.424 USER MOD Single : A 27 HIS : no HD1:sc= -0.225 X(o=-0.23,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 170:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.851 K(o=-0.85,f=-0.025) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.042) USER MOD Single : A 67 ASN : amide:sc= -0.588 K(o=-0.59,f=-2.3) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 CYS SG : rot 180:sc= 0.0315 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -2.36! C(o=-2.4!,f=-2.3!) USER MOD Single : A 79 SER OG : rot 95:sc= 0.907 USER MOD Single : A 81 GLN : amide:sc= -2.64 K(o=-2.6,f=-1.8!) USER MOD Single : A 87 CYS SG : rot -39:sc= -2.03 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.1!) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 MET CE :methyl -120:sc= -0.162 (180deg=-1.81!) USER MOD Single : A 108 HIS : no HE2:sc= -2.64! C(o=-2.6!,f=-5.4!) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0.2) USER MOD Single : A 117 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.2) USER MOD Single : A 120 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 180:sc= -0.968 USER MOD Single : A 127 THR OG1 : rot 180:sc= -0.0139 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.899 18.547 -10.864 1.00 0.00 N ATOM 2 CA GLY A 1 -10.074 19.741 -10.884 1.00 0.00 C ATOM 3 C GLY A 1 -10.529 20.777 -9.876 1.00 0.00 C ATOM 4 O GLY A 1 -11.198 21.747 -10.231 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.547 17.870 -11.571 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.860 18.114 -9.919 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.882 18.801 -11.088 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.039 19.467 -10.677 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.095 20.177 -11.883 1.00 0.00 H new ATOM 8 N SER A 2 -10.167 20.571 -8.613 1.00 0.00 N ATOM 9 CA SER A 2 -10.548 21.492 -7.549 1.00 0.00 C ATOM 10 C SER A 2 -9.824 22.826 -7.701 1.00 0.00 C ATOM 11 O SER A 2 -8.714 23.004 -7.198 1.00 0.00 O ATOM 12 CB SER A 2 -10.234 20.882 -6.181 1.00 0.00 C ATOM 13 OG SER A 2 -10.848 21.622 -5.140 1.00 0.00 O ATOM 0 H SER A 2 -9.611 19.775 -8.302 1.00 0.00 H new ATOM 0 HA SER A 2 -11.621 21.670 -7.622 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.582 19.849 -6.151 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.155 20.860 -6.028 1.00 0.00 H new ATOM 0 HG SER A 2 -10.634 21.211 -4.276 1.00 0.00 H new ATOM 19 N SER A 3 -10.460 23.762 -8.399 1.00 0.00 N ATOM 20 CA SER A 3 -9.876 25.079 -8.622 1.00 0.00 C ATOM 21 C SER A 3 -10.651 26.152 -7.863 1.00 0.00 C ATOM 22 O SER A 3 -11.873 26.248 -7.975 1.00 0.00 O ATOM 23 CB SER A 3 -9.860 25.407 -10.116 1.00 0.00 C ATOM 24 OG SER A 3 -9.202 26.638 -10.361 1.00 0.00 O ATOM 0 H SER A 3 -11.380 23.632 -8.820 1.00 0.00 H new ATOM 0 HA SER A 3 -8.852 25.063 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.358 24.608 -10.662 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.882 25.456 -10.492 1.00 0.00 H new ATOM 0 HG SER A 3 -9.204 26.824 -11.323 1.00 0.00 H new ATOM 30 N GLY A 4 -9.931 26.958 -7.088 1.00 0.00 N ATOM 31 CA GLY A 4 -10.566 28.013 -6.321 1.00 0.00 C ATOM 32 C GLY A 4 -9.602 28.705 -5.378 1.00 0.00 C ATOM 33 O GLY A 4 -8.455 28.972 -5.737 1.00 0.00 O ATOM 0 H GLY A 4 -8.919 26.899 -6.978 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -10.992 28.748 -7.004 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.393 27.594 -5.747 1.00 0.00 H new ATOM 37 N SER A 5 -10.068 28.998 -4.168 1.00 0.00 N ATOM 38 CA SER A 5 -9.241 29.668 -3.172 1.00 0.00 C ATOM 39 C SER A 5 -9.475 29.077 -1.785 1.00 0.00 C ATOM 40 O SER A 5 -10.479 28.407 -1.545 1.00 0.00 O ATOM 41 CB SER A 5 -9.539 31.169 -3.156 1.00 0.00 C ATOM 42 OG SER A 5 -8.441 31.902 -2.641 1.00 0.00 O ATOM 0 H SER A 5 -11.014 28.782 -3.854 1.00 0.00 H new ATOM 0 HA SER A 5 -8.196 29.515 -3.442 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.765 31.509 -4.167 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.424 31.361 -2.550 1.00 0.00 H new ATOM 0 HG SER A 5 -8.656 32.858 -2.643 1.00 0.00 H new ATOM 48 N SER A 6 -8.540 29.331 -0.875 1.00 0.00 N ATOM 49 CA SER A 6 -8.640 28.822 0.488 1.00 0.00 C ATOM 50 C SER A 6 -9.095 27.365 0.491 1.00 0.00 C ATOM 51 O SER A 6 -9.941 26.969 1.292 1.00 0.00 O ATOM 52 CB SER A 6 -9.615 29.674 1.303 1.00 0.00 C ATOM 53 OG SER A 6 -10.936 29.557 0.803 1.00 0.00 O ATOM 0 H SER A 6 -7.704 29.887 -1.057 1.00 0.00 H new ATOM 0 HA SER A 6 -7.652 28.877 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.589 29.363 2.347 1.00 0.00 H new ATOM 0 HB3 SER A 6 -9.303 30.718 1.274 1.00 0.00 H new ATOM 0 HG SER A 6 -10.966 28.855 0.120 1.00 0.00 H new ATOM 59 N GLY A 7 -8.527 26.572 -0.412 1.00 0.00 N ATOM 60 CA GLY A 7 -8.886 25.169 -0.497 1.00 0.00 C ATOM 61 C GLY A 7 -8.174 24.324 0.541 1.00 0.00 C ATOM 62 O GLY A 7 -7.257 24.796 1.212 1.00 0.00 O ATOM 0 H GLY A 7 -7.825 26.876 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.963 25.065 -0.369 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -8.645 24.795 -1.492 1.00 0.00 H new ATOM 66 N MET A 8 -8.598 23.072 0.674 1.00 0.00 N ATOM 67 CA MET A 8 -7.994 22.160 1.639 1.00 0.00 C ATOM 68 C MET A 8 -6.565 21.810 1.236 1.00 0.00 C ATOM 69 O MET A 8 -5.613 22.142 1.941 1.00 0.00 O ATOM 70 CB MET A 8 -8.830 20.883 1.758 1.00 0.00 C ATOM 71 CG MET A 8 -8.611 20.134 3.062 1.00 0.00 C ATOM 72 SD MET A 8 -9.470 18.549 3.105 1.00 0.00 S ATOM 73 CE MET A 8 -8.584 17.650 1.834 1.00 0.00 C ATOM 0 H MET A 8 -9.357 22.666 0.127 1.00 0.00 H new ATOM 0 HA MET A 8 -7.967 22.660 2.607 1.00 0.00 H new ATOM 0 HB2 MET A 8 -9.886 21.140 1.669 1.00 0.00 H new ATOM 0 HB3 MET A 8 -8.591 20.223 0.924 1.00 0.00 H new ATOM 0 HG2 MET A 8 -7.543 19.968 3.206 1.00 0.00 H new ATOM 0 HG3 MET A 8 -8.953 20.751 3.893 1.00 0.00 H new ATOM 0 HE1 MET A 8 -8.707 16.579 1.993 1.00 0.00 H new ATOM 0 HE2 MET A 8 -8.980 17.920 0.855 1.00 0.00 H new ATOM 0 HE3 MET A 8 -7.525 17.904 1.880 1.00 0.00 H new ATOM 83 N ALA A 9 -6.424 21.137 0.099 1.00 0.00 N ATOM 84 CA ALA A 9 -5.111 20.744 -0.398 1.00 0.00 C ATOM 85 C ALA A 9 -5.163 20.414 -1.886 1.00 0.00 C ATOM 86 O ALA A 9 -6.228 20.121 -2.428 1.00 0.00 O ATOM 87 CB ALA A 9 -4.582 19.556 0.391 1.00 0.00 C ATOM 0 H ALA A 9 -7.203 20.853 -0.495 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.432 21.586 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.601 19.273 0.009 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.497 19.827 1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.268 18.715 0.287 1.00 0.00 H new ATOM 93 N GLU A 10 -4.007 20.463 -2.539 1.00 0.00 N ATOM 94 CA GLU A 10 -3.923 20.169 -3.965 1.00 0.00 C ATOM 95 C GLU A 10 -3.717 18.676 -4.202 1.00 0.00 C ATOM 96 O GLU A 10 -4.594 17.975 -4.708 1.00 0.00 O ATOM 97 CB GLU A 10 -2.780 20.961 -4.605 1.00 0.00 C ATOM 98 CG GLU A 10 -3.230 22.252 -5.268 1.00 0.00 C ATOM 99 CD GLU A 10 -2.094 22.980 -5.958 1.00 0.00 C ATOM 100 OE1 GLU A 10 -1.571 22.450 -6.961 1.00 0.00 O ATOM 101 OE2 GLU A 10 -1.727 24.080 -5.495 1.00 0.00 O ATOM 0 H GLU A 10 -3.116 20.703 -2.104 1.00 0.00 H new ATOM 0 HA GLU A 10 -4.865 20.466 -4.427 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -2.039 21.194 -3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.286 20.334 -5.348 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.009 22.029 -5.997 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.673 22.906 -4.517 1.00 0.00 H new ATOM 108 N PRO A 11 -2.529 18.176 -3.830 1.00 0.00 N ATOM 109 CA PRO A 11 -2.179 16.762 -3.992 1.00 0.00 C ATOM 110 C PRO A 11 -2.966 15.858 -3.048 1.00 0.00 C ATOM 111 O PRO A 11 -3.538 14.853 -3.468 1.00 0.00 O ATOM 112 CB PRO A 11 -0.688 16.724 -3.649 1.00 0.00 C ATOM 113 CG PRO A 11 -0.475 17.896 -2.754 1.00 0.00 C ATOM 114 CD PRO A 11 -1.437 18.954 -3.221 1.00 0.00 C ATOM 0 HA PRO A 11 -2.410 16.397 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -0.420 15.792 -3.151 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -0.073 16.794 -4.546 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -0.661 17.631 -1.713 1.00 0.00 H new ATOM 0 HG3 PRO A 11 0.554 18.251 -2.813 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -1.793 19.567 -2.393 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -0.974 19.629 -3.941 1.00 0.00 H new ATOM 122 N VAL A 12 -2.990 16.223 -1.770 1.00 0.00 N ATOM 123 CA VAL A 12 -3.708 15.446 -0.767 1.00 0.00 C ATOM 124 C VAL A 12 -5.130 15.141 -1.222 1.00 0.00 C ATOM 125 O VAL A 12 -5.575 13.995 -1.171 1.00 0.00 O ATOM 126 CB VAL A 12 -3.761 16.186 0.584 1.00 0.00 C ATOM 127 CG1 VAL A 12 -4.598 15.406 1.587 1.00 0.00 C ATOM 128 CG2 VAL A 12 -2.356 16.421 1.117 1.00 0.00 C ATOM 0 H VAL A 12 -2.521 17.052 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.162 14.511 -0.640 1.00 0.00 H new ATOM 0 HB VAL A 12 -4.233 17.156 0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.624 15.943 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -5.613 15.294 1.205 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.157 14.421 1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -2.412 16.945 2.071 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.855 15.463 1.257 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.793 17.024 0.405 1.00 0.00 H new ATOM 138 N GLN A 13 -5.838 16.174 -1.668 1.00 0.00 N ATOM 139 CA GLN A 13 -7.211 16.015 -2.133 1.00 0.00 C ATOM 140 C GLN A 13 -7.269 15.108 -3.357 1.00 0.00 C ATOM 141 O GLN A 13 -8.036 14.146 -3.392 1.00 0.00 O ATOM 142 CB GLN A 13 -7.820 17.378 -2.464 1.00 0.00 C ATOM 143 CG GLN A 13 -9.172 17.289 -3.154 1.00 0.00 C ATOM 144 CD GLN A 13 -10.219 16.602 -2.299 1.00 0.00 C ATOM 145 OE1 GLN A 13 -10.031 16.415 -1.097 1.00 0.00 O ATOM 146 NE2 GLN A 13 -11.330 16.220 -2.918 1.00 0.00 N ATOM 0 H GLN A 13 -5.484 17.129 -1.717 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.788 15.552 -1.333 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.928 17.951 -1.543 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.131 17.929 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.515 18.293 -3.405 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.062 16.746 -4.093 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.444 16.395 -3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.070 15.751 -2.395 1.00 0.00 H new ATOM 155 N GLU A 14 -6.454 15.421 -4.360 1.00 0.00 N ATOM 156 CA GLU A 14 -6.415 14.633 -5.586 1.00 0.00 C ATOM 157 C GLU A 14 -6.195 13.155 -5.277 1.00 0.00 C ATOM 158 O GLU A 14 -7.032 12.313 -5.599 1.00 0.00 O ATOM 159 CB GLU A 14 -5.307 15.143 -6.511 1.00 0.00 C ATOM 160 CG GLU A 14 -5.763 16.238 -7.460 1.00 0.00 C ATOM 161 CD GLU A 14 -7.002 15.853 -8.243 1.00 0.00 C ATOM 162 OE1 GLU A 14 -6.996 14.775 -8.874 1.00 0.00 O ATOM 163 OE2 GLU A 14 -7.980 16.630 -8.225 1.00 0.00 O ATOM 0 H GLU A 14 -5.813 16.214 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 14 -7.376 14.742 -6.088 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -4.483 15.519 -5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -4.918 14.308 -7.093 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -5.965 17.146 -6.891 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -4.956 16.470 -8.155 1.00 0.00 H new ATOM 170 N GLU A 15 -5.063 12.850 -4.651 1.00 0.00 N ATOM 171 CA GLU A 15 -4.732 11.474 -4.300 1.00 0.00 C ATOM 172 C GLU A 15 -5.967 10.727 -3.805 1.00 0.00 C ATOM 173 O GLU A 15 -6.249 9.610 -4.244 1.00 0.00 O ATOM 174 CB GLU A 15 -3.642 11.446 -3.227 1.00 0.00 C ATOM 175 CG GLU A 15 -2.844 10.152 -3.203 1.00 0.00 C ATOM 176 CD GLU A 15 -2.196 9.842 -4.538 1.00 0.00 C ATOM 177 OE1 GLU A 15 -1.479 10.716 -5.068 1.00 0.00 O ATOM 178 OE2 GLU A 15 -2.406 8.723 -5.053 1.00 0.00 O ATOM 0 H GLU A 15 -4.360 13.536 -4.377 1.00 0.00 H new ATOM 0 HA GLU A 15 -4.362 10.976 -5.196 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.960 12.280 -3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -4.101 11.598 -2.250 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -2.073 10.219 -2.436 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.502 9.329 -2.923 1.00 0.00 H new ATOM 185 N LEU A 16 -6.700 11.349 -2.890 1.00 0.00 N ATOM 186 CA LEU A 16 -7.906 10.745 -2.334 1.00 0.00 C ATOM 187 C LEU A 16 -8.951 10.516 -3.420 1.00 0.00 C ATOM 188 O LEU A 16 -9.507 9.424 -3.541 1.00 0.00 O ATOM 189 CB LEU A 16 -8.485 11.634 -1.232 1.00 0.00 C ATOM 190 CG LEU A 16 -7.671 11.719 0.060 1.00 0.00 C ATOM 191 CD1 LEU A 16 -8.086 12.935 0.873 1.00 0.00 C ATOM 192 CD2 LEU A 16 -7.835 10.446 0.878 1.00 0.00 C ATOM 0 H LEU A 16 -6.481 12.272 -2.516 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.635 9.779 -1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -8.603 12.642 -1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -9.482 11.270 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.618 11.825 -0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -7.496 12.979 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.916 13.839 0.288 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -9.144 12.860 1.126 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.249 10.524 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.886 10.309 1.131 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.487 9.592 0.296 1.00 0.00 H new ATOM 204 N SER A 17 -9.213 11.552 -4.210 1.00 0.00 N ATOM 205 CA SER A 17 -10.193 11.465 -5.287 1.00 0.00 C ATOM 206 C SER A 17 -9.813 10.371 -6.280 1.00 0.00 C ATOM 207 O SER A 17 -10.539 9.391 -6.450 1.00 0.00 O ATOM 208 CB SER A 17 -10.308 12.808 -6.010 1.00 0.00 C ATOM 209 OG SER A 17 -11.611 12.994 -6.536 1.00 0.00 O ATOM 0 H SER A 17 -8.760 12.462 -4.125 1.00 0.00 H new ATOM 0 HA SER A 17 -11.158 11.213 -4.847 1.00 0.00 H new ATOM 0 HB2 SER A 17 -10.072 13.618 -5.319 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.577 12.854 -6.817 1.00 0.00 H new ATOM 0 HG SER A 17 -11.659 13.860 -6.992 1.00 0.00 H new ATOM 215 N VAL A 18 -8.669 10.545 -6.934 1.00 0.00 N ATOM 216 CA VAL A 18 -8.190 9.574 -7.910 1.00 0.00 C ATOM 217 C VAL A 18 -8.466 8.148 -7.446 1.00 0.00 C ATOM 218 O VAL A 18 -9.034 7.342 -8.185 1.00 0.00 O ATOM 219 CB VAL A 18 -6.680 9.735 -8.168 1.00 0.00 C ATOM 220 CG1 VAL A 18 -6.195 8.696 -9.167 1.00 0.00 C ATOM 221 CG2 VAL A 18 -6.371 11.142 -8.657 1.00 0.00 C ATOM 0 H VAL A 18 -8.056 11.350 -6.805 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.731 9.763 -8.837 1.00 0.00 H new ATOM 0 HB VAL A 18 -6.149 9.576 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -5.126 8.826 -9.337 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.381 7.697 -8.773 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -6.729 8.820 -10.109 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -5.300 11.239 -8.834 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -6.911 11.332 -9.585 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -6.680 11.865 -7.903 1.00 0.00 H new ATOM 231 N LEU A 19 -8.061 7.842 -6.219 1.00 0.00 N ATOM 232 CA LEU A 19 -8.265 6.512 -5.655 1.00 0.00 C ATOM 233 C LEU A 19 -9.751 6.222 -5.467 1.00 0.00 C ATOM 234 O LEU A 19 -10.267 5.225 -5.969 1.00 0.00 O ATOM 235 CB LEU A 19 -7.536 6.387 -4.316 1.00 0.00 C ATOM 236 CG LEU A 19 -6.010 6.334 -4.385 1.00 0.00 C ATOM 237 CD1 LEU A 19 -5.397 6.928 -3.127 1.00 0.00 C ATOM 238 CD2 LEU A 19 -5.534 4.902 -4.587 1.00 0.00 C ATOM 0 H LEU A 19 -7.589 8.497 -5.595 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.857 5.782 -6.354 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.822 7.232 -3.689 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.889 5.485 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.684 6.928 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.310 6.881 -3.195 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.710 7.967 -3.026 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.731 6.362 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.445 4.884 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.872 4.285 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.944 4.510 -5.518 1.00 0.00 H new ATOM 250 N ALA A 20 -10.433 7.103 -4.741 1.00 0.00 N ATOM 251 CA ALA A 20 -11.860 6.944 -4.491 1.00 0.00 C ATOM 252 C ALA A 20 -12.599 6.536 -5.761 1.00 0.00 C ATOM 253 O ALA A 20 -13.685 5.961 -5.701 1.00 0.00 O ATOM 254 CB ALA A 20 -12.444 8.232 -3.929 1.00 0.00 C ATOM 0 H ALA A 20 -10.020 7.933 -4.316 1.00 0.00 H new ATOM 0 HA ALA A 20 -11.988 6.149 -3.757 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -13.510 8.099 -3.747 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -11.944 8.480 -2.993 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -12.296 9.041 -4.644 1.00 0.00 H new ATOM 260 N ALA A 21 -12.002 6.838 -6.910 1.00 0.00 N ATOM 261 CA ALA A 21 -12.603 6.501 -8.194 1.00 0.00 C ATOM 262 C ALA A 21 -12.358 5.038 -8.548 1.00 0.00 C ATOM 263 O ALA A 21 -13.282 4.319 -8.930 1.00 0.00 O ATOM 264 CB ALA A 21 -12.057 7.409 -9.286 1.00 0.00 C ATOM 0 H ALA A 21 -11.103 7.315 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.679 6.653 -8.115 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.514 7.146 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.289 8.447 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.976 7.285 -9.355 1.00 0.00 H new ATOM 270 N ILE A 22 -11.109 4.604 -8.419 1.00 0.00 N ATOM 271 CA ILE A 22 -10.744 3.227 -8.726 1.00 0.00 C ATOM 272 C ILE A 22 -11.592 2.243 -7.927 1.00 0.00 C ATOM 273 O ILE A 22 -12.222 1.349 -8.492 1.00 0.00 O ATOM 274 CB ILE A 22 -9.255 2.960 -8.432 1.00 0.00 C ATOM 275 CG1 ILE A 22 -8.374 3.904 -9.253 1.00 0.00 C ATOM 276 CG2 ILE A 22 -8.908 1.510 -8.731 1.00 0.00 C ATOM 277 CD1 ILE A 22 -6.974 4.056 -8.702 1.00 0.00 C ATOM 0 H ILE A 22 -10.333 5.186 -8.104 1.00 0.00 H new ATOM 0 HA ILE A 22 -10.928 3.082 -9.791 1.00 0.00 H new ATOM 0 HB ILE A 22 -9.069 3.147 -7.374 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.315 3.534 -10.277 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -8.848 4.885 -9.295 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -7.853 1.337 -8.518 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -9.516 0.854 -8.108 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -9.106 1.298 -9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.406 4.739 -9.334 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.023 4.455 -7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.482 3.084 -8.685 1.00 0.00 H new ATOM 289 N PHE A 23 -11.605 2.415 -6.609 1.00 0.00 N ATOM 290 CA PHE A 23 -12.376 1.542 -5.732 1.00 0.00 C ATOM 291 C PHE A 23 -13.870 1.827 -5.859 1.00 0.00 C ATOM 292 O PHE A 23 -14.673 0.913 -6.052 1.00 0.00 O ATOM 293 CB PHE A 23 -11.933 1.724 -4.279 1.00 0.00 C ATOM 294 CG PHE A 23 -10.483 1.406 -4.051 1.00 0.00 C ATOM 295 CD1 PHE A 23 -9.505 2.356 -4.300 1.00 0.00 C ATOM 296 CD2 PHE A 23 -10.097 0.159 -3.587 1.00 0.00 C ATOM 297 CE1 PHE A 23 -8.170 2.066 -4.091 1.00 0.00 C ATOM 298 CE2 PHE A 23 -8.764 -0.137 -3.376 1.00 0.00 C ATOM 299 CZ PHE A 23 -7.799 0.819 -3.628 1.00 0.00 C ATOM 0 H PHE A 23 -11.090 3.151 -6.125 1.00 0.00 H new ATOM 0 HA PHE A 23 -12.193 0.511 -6.034 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -12.123 2.754 -3.976 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.542 1.085 -3.639 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.789 3.333 -4.661 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.848 -0.591 -3.388 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -7.417 2.814 -4.290 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.477 -1.114 -3.015 1.00 0.00 H new ATOM 0 HZ PHE A 23 -6.756 0.591 -3.463 1.00 0.00 H new ATOM 309 N CYS A 24 -14.235 3.099 -5.749 1.00 0.00 N ATOM 310 CA CYS A 24 -15.632 3.506 -5.850 1.00 0.00 C ATOM 311 C CYS A 24 -16.550 2.455 -5.233 1.00 0.00 C ATOM 312 O CYS A 24 -17.619 2.160 -5.767 1.00 0.00 O ATOM 313 CB CYS A 24 -16.013 3.737 -7.313 1.00 0.00 C ATOM 314 SG CYS A 24 -16.068 2.229 -8.309 1.00 0.00 S ATOM 0 H CYS A 24 -13.583 3.867 -5.590 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.754 4.438 -5.299 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -16.989 4.220 -7.351 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.298 4.428 -7.759 1.00 0.00 H new ATOM 0 HG CYS A 24 -15.523 1.252 -7.647 1.00 0.00 H new ATOM 320 N ARG A 25 -16.124 1.893 -4.106 1.00 0.00 N ATOM 321 CA ARG A 25 -16.906 0.873 -3.418 1.00 0.00 C ATOM 322 C ARG A 25 -16.822 1.053 -1.905 1.00 0.00 C ATOM 323 O ARG A 25 -15.743 1.209 -1.333 1.00 0.00 O ATOM 324 CB ARG A 25 -16.415 -0.523 -3.804 1.00 0.00 C ATOM 325 CG ARG A 25 -16.741 -0.908 -5.238 1.00 0.00 C ATOM 326 CD ARG A 25 -18.100 -1.584 -5.337 1.00 0.00 C ATOM 327 NE ARG A 25 -18.451 -1.907 -6.718 1.00 0.00 N ATOM 328 CZ ARG A 25 -18.992 -1.035 -7.561 1.00 0.00 C ATOM 329 NH1 ARG A 25 -19.242 0.206 -7.167 1.00 0.00 N ATOM 330 NH2 ARG A 25 -19.283 -1.403 -8.802 1.00 0.00 N ATOM 0 H ARG A 25 -15.242 2.127 -3.650 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.947 0.982 -3.723 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -15.336 -0.572 -3.660 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -16.860 -1.255 -3.130 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -16.729 -0.018 -5.867 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -15.971 -1.578 -5.620 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -18.095 -2.497 -4.741 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -18.862 -0.930 -4.913 1.00 0.00 H new ATOM 0 HE ARG A 25 -18.271 -2.853 -7.053 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -19.019 0.493 -6.214 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -19.658 0.873 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -19.091 -2.356 -9.109 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -19.699 -0.732 -9.449 1.00 0.00 H new ATOM 344 N PRO A 26 -17.987 1.032 -1.241 1.00 0.00 N ATOM 345 CA PRO A 26 -18.072 1.191 0.214 1.00 0.00 C ATOM 346 C PRO A 26 -17.510 -0.013 0.962 1.00 0.00 C ATOM 347 O PRO A 26 -17.459 -0.023 2.193 1.00 0.00 O ATOM 348 CB PRO A 26 -19.575 1.326 0.469 1.00 0.00 C ATOM 349 CG PRO A 26 -20.218 0.629 -0.680 1.00 0.00 C ATOM 350 CD PRO A 26 -19.311 0.850 -1.859 1.00 0.00 C ATOM 0 HA PRO A 26 -17.488 2.042 0.566 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -19.858 0.870 1.418 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -19.876 2.373 0.516 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -20.338 -0.435 -0.474 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -21.213 1.030 -0.873 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -19.323 -0.001 -2.540 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -19.609 1.725 -2.437 1.00 0.00 H new ATOM 358 N HIS A 27 -17.091 -1.028 0.213 1.00 0.00 N ATOM 359 CA HIS A 27 -16.532 -2.237 0.806 1.00 0.00 C ATOM 360 C HIS A 27 -15.028 -2.318 0.559 1.00 0.00 C ATOM 361 O HIS A 27 -14.274 -2.781 1.415 1.00 0.00 O ATOM 362 CB HIS A 27 -17.222 -3.476 0.235 1.00 0.00 C ATOM 363 CG HIS A 27 -18.547 -3.769 0.869 1.00 0.00 C ATOM 364 ND1 HIS A 27 -18.740 -4.792 1.772 1.00 0.00 N ATOM 365 CD2 HIS A 27 -19.750 -3.164 0.726 1.00 0.00 C ATOM 366 CE1 HIS A 27 -20.004 -4.805 2.156 1.00 0.00 C ATOM 367 NE2 HIS A 27 -20.638 -3.827 1.536 1.00 0.00 N ATOM 0 H HIS A 27 -17.128 -1.037 -0.806 1.00 0.00 H new ATOM 0 HA HIS A 27 -16.704 -2.198 1.882 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -17.363 -3.341 -0.837 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -16.568 -4.338 0.364 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.970 -2.317 0.093 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -20.444 -5.498 2.858 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -21.627 -3.601 1.642 1.00 0.00 H new ATOM 376 N GLU A 28 -14.601 -1.867 -0.616 1.00 0.00 N ATOM 377 CA GLU A 28 -13.188 -1.891 -0.974 1.00 0.00 C ATOM 378 C GLU A 28 -12.459 -0.682 -0.394 1.00 0.00 C ATOM 379 O GLU A 28 -11.422 -0.822 0.255 1.00 0.00 O ATOM 380 CB GLU A 28 -13.025 -1.916 -2.495 1.00 0.00 C ATOM 381 CG GLU A 28 -13.858 -2.988 -3.178 1.00 0.00 C ATOM 382 CD GLU A 28 -13.345 -3.330 -4.564 1.00 0.00 C ATOM 383 OE1 GLU A 28 -12.326 -4.046 -4.659 1.00 0.00 O ATOM 384 OE2 GLU A 28 -13.962 -2.883 -5.553 1.00 0.00 O ATOM 0 H GLU A 28 -15.213 -1.481 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.748 -2.795 -0.553 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -13.301 -0.941 -2.898 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.974 -2.075 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.860 -3.888 -2.563 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.891 -2.649 -3.250 1.00 0.00 H new ATOM 391 N TRP A 29 -13.007 0.503 -0.634 1.00 0.00 N ATOM 392 CA TRP A 29 -12.409 1.737 -0.136 1.00 0.00 C ATOM 393 C TRP A 29 -13.091 2.192 1.150 1.00 0.00 C ATOM 394 O TRP A 29 -14.248 2.612 1.133 1.00 0.00 O ATOM 395 CB TRP A 29 -12.503 2.837 -1.195 1.00 0.00 C ATOM 396 CG TRP A 29 -12.149 4.196 -0.672 1.00 0.00 C ATOM 397 CD1 TRP A 29 -13.015 5.152 -0.223 1.00 0.00 C ATOM 398 CD2 TRP A 29 -10.835 4.751 -0.547 1.00 0.00 C ATOM 399 NE1 TRP A 29 -12.318 6.268 0.174 1.00 0.00 N ATOM 400 CE2 TRP A 29 -10.979 6.046 -0.014 1.00 0.00 C ATOM 401 CE3 TRP A 29 -9.551 4.278 -0.831 1.00 0.00 C ATOM 402 CZ2 TRP A 29 -9.887 6.873 0.239 1.00 0.00 C ATOM 403 CZ3 TRP A 29 -8.469 5.100 -0.581 1.00 0.00 C ATOM 404 CH2 TRP A 29 -8.642 6.385 -0.050 1.00 0.00 C ATOM 0 H TRP A 29 -13.864 0.636 -1.170 1.00 0.00 H new ATOM 0 HA TRP A 29 -11.359 1.541 0.082 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -11.840 2.591 -2.024 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -13.517 2.862 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -14.089 5.047 -0.185 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -12.730 7.123 0.548 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -9.407 3.288 -1.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -10.018 7.864 0.649 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -7.472 4.746 -0.799 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -7.775 7.002 0.135 1.00 0.00 H new ATOM 415 N GLU A 30 -12.367 2.106 2.261 1.00 0.00 N ATOM 416 CA GLU A 30 -12.905 2.509 3.555 1.00 0.00 C ATOM 417 C GLU A 30 -11.899 3.366 4.319 1.00 0.00 C ATOM 418 O GLU A 30 -10.724 3.015 4.428 1.00 0.00 O ATOM 419 CB GLU A 30 -13.276 1.278 4.384 1.00 0.00 C ATOM 420 CG GLU A 30 -14.194 1.587 5.555 1.00 0.00 C ATOM 421 CD GLU A 30 -14.588 0.346 6.331 1.00 0.00 C ATOM 422 OE1 GLU A 30 -15.544 -0.339 5.911 1.00 0.00 O ATOM 423 OE2 GLU A 30 -13.939 0.058 7.359 1.00 0.00 O ATOM 0 H GLU A 30 -11.407 1.761 2.291 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.802 3.102 3.378 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -13.760 0.547 3.737 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -12.364 0.816 4.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -13.697 2.288 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.093 2.081 5.186 1.00 0.00 H new ATOM 430 N VAL A 31 -12.369 4.492 4.846 1.00 0.00 N ATOM 431 CA VAL A 31 -11.513 5.399 5.601 1.00 0.00 C ATOM 432 C VAL A 31 -11.927 5.455 7.067 1.00 0.00 C ATOM 433 O VAL A 31 -13.089 5.709 7.386 1.00 0.00 O ATOM 434 CB VAL A 31 -11.549 6.823 5.014 1.00 0.00 C ATOM 435 CG1 VAL A 31 -12.985 7.287 4.826 1.00 0.00 C ATOM 436 CG2 VAL A 31 -10.781 7.786 5.907 1.00 0.00 C ATOM 0 H VAL A 31 -13.339 4.798 4.764 1.00 0.00 H new ATOM 0 HA VAL A 31 -10.498 5.009 5.529 1.00 0.00 H new ATOM 0 HB VAL A 31 -11.067 6.807 4.036 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.990 8.295 4.411 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -13.500 6.610 4.144 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -13.496 7.289 5.789 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -10.816 8.787 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.232 7.800 6.899 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -9.743 7.461 5.985 1.00 0.00 H new ATOM 446 N LEU A 32 -10.969 5.215 7.955 1.00 0.00 N ATOM 447 CA LEU A 32 -11.233 5.238 9.390 1.00 0.00 C ATOM 448 C LEU A 32 -11.495 6.662 9.873 1.00 0.00 C ATOM 449 O LEU A 32 -12.561 6.959 10.412 1.00 0.00 O ATOM 450 CB LEU A 32 -10.054 4.637 10.156 1.00 0.00 C ATOM 451 CG LEU A 32 -9.516 3.307 9.624 1.00 0.00 C ATOM 452 CD1 LEU A 32 -8.268 2.893 10.387 1.00 0.00 C ATOM 453 CD2 LEU A 32 -10.583 2.226 9.715 1.00 0.00 C ATOM 0 H LEU A 32 -10.003 5.002 7.707 1.00 0.00 H new ATOM 0 HA LEU A 32 -12.124 4.639 9.580 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.240 5.361 10.156 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.355 4.495 11.194 1.00 0.00 H new ATOM 0 HG LEU A 32 -9.249 3.438 8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.900 1.945 9.995 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.500 3.657 10.270 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.509 2.779 11.444 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -10.183 1.287 9.332 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.882 2.096 10.755 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -11.450 2.519 9.123 1.00 0.00 H new ATOM 465 N SER A 33 -10.515 7.538 9.674 1.00 0.00 N ATOM 466 CA SER A 33 -10.639 8.930 10.090 1.00 0.00 C ATOM 467 C SER A 33 -9.663 9.815 9.321 1.00 0.00 C ATOM 468 O SER A 33 -8.486 9.484 9.179 1.00 0.00 O ATOM 469 CB SER A 33 -10.386 9.059 11.593 1.00 0.00 C ATOM 470 OG SER A 33 -10.779 10.335 12.069 1.00 0.00 O ATOM 0 H SER A 33 -9.627 7.308 9.228 1.00 0.00 H new ATOM 0 HA SER A 33 -11.654 9.261 9.870 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.937 8.283 12.125 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.328 8.899 11.802 1.00 0.00 H new ATOM 0 HG SER A 33 -10.609 10.391 13.032 1.00 0.00 H new ATOM 476 N ARG A 34 -10.162 10.943 8.826 1.00 0.00 N ATOM 477 CA ARG A 34 -9.336 11.877 8.070 1.00 0.00 C ATOM 478 C ARG A 34 -9.677 13.320 8.430 1.00 0.00 C ATOM 479 O ARG A 34 -10.847 13.698 8.477 1.00 0.00 O ATOM 480 CB ARG A 34 -9.524 11.657 6.568 1.00 0.00 C ATOM 481 CG ARG A 34 -10.972 11.751 6.115 1.00 0.00 C ATOM 482 CD ARG A 34 -11.339 13.171 5.714 1.00 0.00 C ATOM 483 NE ARG A 34 -12.750 13.461 5.955 1.00 0.00 N ATOM 484 CZ ARG A 34 -13.234 14.690 6.096 1.00 0.00 C ATOM 485 NH1 ARG A 34 -12.425 15.738 6.020 1.00 0.00 N ATOM 486 NH2 ARG A 34 -14.531 14.873 6.313 1.00 0.00 N ATOM 0 H ARG A 34 -11.134 11.232 8.935 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.294 11.693 8.330 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.934 12.395 6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.132 10.676 6.301 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -11.135 11.080 5.272 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.628 11.418 6.919 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.724 13.876 6.273 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -11.114 13.319 4.658 1.00 0.00 H new ATOM 0 HE ARG A 34 -13.399 12.677 6.019 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.428 15.602 5.853 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.800 16.680 6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -15.157 14.070 6.372 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.902 15.817 6.421 1.00 0.00 H new ATOM 500 N SER A 35 -8.647 14.121 8.685 1.00 0.00 N ATOM 501 CA SER A 35 -8.838 15.521 9.045 1.00 0.00 C ATOM 502 C SER A 35 -8.166 16.439 8.029 1.00 0.00 C ATOM 503 O SER A 35 -7.298 16.012 7.269 1.00 0.00 O ATOM 504 CB SER A 35 -8.277 15.790 10.443 1.00 0.00 C ATOM 505 OG SER A 35 -9.005 16.816 11.095 1.00 0.00 O ATOM 0 H SER A 35 -7.672 13.824 8.649 1.00 0.00 H new ATOM 0 HA SER A 35 -9.908 15.729 9.044 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.318 14.877 11.037 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.228 16.075 10.369 1.00 0.00 H new ATOM 0 HG SER A 35 -8.737 16.860 12.037 1.00 0.00 H new ATOM 511 N GLU A 36 -8.575 17.704 8.023 1.00 0.00 N ATOM 512 CA GLU A 36 -8.014 18.684 7.100 1.00 0.00 C ATOM 513 C GLU A 36 -6.495 18.748 7.233 1.00 0.00 C ATOM 514 O GLU A 36 -5.776 18.838 6.237 1.00 0.00 O ATOM 515 CB GLU A 36 -8.618 20.066 7.359 1.00 0.00 C ATOM 516 CG GLU A 36 -10.052 20.203 6.877 1.00 0.00 C ATOM 517 CD GLU A 36 -10.846 21.210 7.687 1.00 0.00 C ATOM 518 OE1 GLU A 36 -10.685 21.233 8.925 1.00 0.00 O ATOM 519 OE2 GLU A 36 -11.628 21.973 7.083 1.00 0.00 O ATOM 0 H GLU A 36 -9.292 18.074 8.647 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.260 18.372 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.581 20.275 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -8.004 20.820 6.866 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.052 20.504 5.829 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -10.543 19.232 6.930 1.00 0.00 H new ATOM 526 N THR A 37 -6.012 18.700 8.470 1.00 0.00 N ATOM 527 CA THR A 37 -4.580 18.755 8.734 1.00 0.00 C ATOM 528 C THR A 37 -4.141 17.600 9.628 1.00 0.00 C ATOM 529 O THR A 37 -3.122 16.958 9.373 1.00 0.00 O ATOM 530 CB THR A 37 -4.181 20.085 9.402 1.00 0.00 C ATOM 531 OG1 THR A 37 -2.799 20.051 9.775 1.00 0.00 O ATOM 532 CG2 THR A 37 -5.037 20.351 10.631 1.00 0.00 C ATOM 0 H THR A 37 -6.592 18.623 9.305 1.00 0.00 H new ATOM 0 HA THR A 37 -4.079 18.677 7.769 1.00 0.00 H new ATOM 0 HB THR A 37 -4.343 20.889 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.553 20.900 10.197 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.737 21.295 11.086 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.086 20.406 10.339 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.902 19.543 11.350 1.00 0.00 H new ATOM 540 N ASP A 38 -4.917 17.340 10.674 1.00 0.00 N ATOM 541 CA ASP A 38 -4.610 16.260 11.605 1.00 0.00 C ATOM 542 C ASP A 38 -4.020 15.060 10.869 1.00 0.00 C ATOM 543 O ASP A 38 -3.227 14.305 11.429 1.00 0.00 O ATOM 544 CB ASP A 38 -5.868 15.840 12.366 1.00 0.00 C ATOM 545 CG ASP A 38 -5.558 15.333 13.761 1.00 0.00 C ATOM 546 OD1 ASP A 38 -5.000 14.222 13.878 1.00 0.00 O ATOM 547 OD2 ASP A 38 -5.874 16.047 14.735 1.00 0.00 O ATOM 0 H ASP A 38 -5.764 17.862 10.899 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.871 16.626 12.317 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.549 16.689 12.434 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.385 15.061 11.806 1.00 0.00 H new ATOM 552 N GLY A 39 -4.416 14.891 9.611 1.00 0.00 N ATOM 553 CA GLY A 39 -3.918 13.781 8.820 1.00 0.00 C ATOM 554 C GLY A 39 -5.031 12.885 8.314 1.00 0.00 C ATOM 555 O GLY A 39 -6.096 12.796 8.927 1.00 0.00 O ATOM 0 H GLY A 39 -5.072 15.503 9.126 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.353 14.168 7.972 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -3.226 13.192 9.422 1.00 0.00 H new ATOM 559 N THR A 40 -4.788 12.219 7.189 1.00 0.00 N ATOM 560 CA THR A 40 -5.779 11.328 6.599 1.00 0.00 C ATOM 561 C THR A 40 -5.364 9.869 6.748 1.00 0.00 C ATOM 562 O THR A 40 -4.305 9.462 6.270 1.00 0.00 O ATOM 563 CB THR A 40 -5.994 11.639 5.105 1.00 0.00 C ATOM 564 OG1 THR A 40 -6.307 13.025 4.933 1.00 0.00 O ATOM 565 CG2 THR A 40 -7.115 10.785 4.531 1.00 0.00 C ATOM 0 H THR A 40 -3.913 12.280 6.668 1.00 0.00 H new ATOM 0 HA THR A 40 -6.713 11.494 7.136 1.00 0.00 H new ATOM 0 HB THR A 40 -5.072 11.407 4.572 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.440 13.215 3.981 1.00 0.00 H new ATOM 0 HG21 THR A 40 -7.249 11.022 3.475 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.860 9.731 4.637 1.00 0.00 H new ATOM 0 HG23 THR A 40 -8.041 10.990 5.069 1.00 0.00 H new ATOM 573 N VAL A 41 -6.206 9.085 7.414 1.00 0.00 N ATOM 574 CA VAL A 41 -5.927 7.669 7.625 1.00 0.00 C ATOM 575 C VAL A 41 -7.069 6.801 7.107 1.00 0.00 C ATOM 576 O VAL A 41 -8.232 7.020 7.447 1.00 0.00 O ATOM 577 CB VAL A 41 -5.696 7.358 9.115 1.00 0.00 C ATOM 578 CG1 VAL A 41 -5.419 5.876 9.315 1.00 0.00 C ATOM 579 CG2 VAL A 41 -4.554 8.201 9.664 1.00 0.00 C ATOM 0 H VAL A 41 -7.086 9.406 7.817 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.018 7.439 7.069 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.602 7.611 9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -5.258 5.676 10.374 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -6.271 5.296 8.961 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -4.529 5.593 8.753 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.404 7.968 10.718 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.641 7.981 9.111 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.798 9.258 9.557 1.00 0.00 H new ATOM 589 N PHE A 42 -6.729 5.815 6.284 1.00 0.00 N ATOM 590 CA PHE A 42 -7.726 4.914 5.719 1.00 0.00 C ATOM 591 C PHE A 42 -7.153 3.511 5.541 1.00 0.00 C ATOM 592 O PHE A 42 -5.981 3.346 5.201 1.00 0.00 O ATOM 593 CB PHE A 42 -8.223 5.447 4.374 1.00 0.00 C ATOM 594 CG PHE A 42 -7.119 5.916 3.470 1.00 0.00 C ATOM 595 CD1 PHE A 42 -6.345 5.005 2.770 1.00 0.00 C ATOM 596 CD2 PHE A 42 -6.856 7.268 3.320 1.00 0.00 C ATOM 597 CE1 PHE A 42 -5.328 5.434 1.938 1.00 0.00 C ATOM 598 CE2 PHE A 42 -5.840 7.703 2.490 1.00 0.00 C ATOM 599 CZ PHE A 42 -5.076 6.785 1.797 1.00 0.00 C ATOM 0 H PHE A 42 -5.771 5.620 5.994 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.564 4.860 6.413 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.788 4.664 3.868 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -8.912 6.273 4.552 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -6.538 3.948 2.876 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.452 7.990 3.858 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -4.731 4.714 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -5.644 8.760 2.384 1.00 0.00 H new ATOM 0 HZ PHE A 42 -4.283 7.122 1.146 1.00 0.00 H new ATOM 609 N ARG A 43 -7.987 2.503 5.775 1.00 0.00 N ATOM 610 CA ARG A 43 -7.563 1.114 5.643 1.00 0.00 C ATOM 611 C ARG A 43 -8.403 0.386 4.598 1.00 0.00 C ATOM 612 O ARG A 43 -9.533 -0.022 4.870 1.00 0.00 O ATOM 613 CB ARG A 43 -7.671 0.396 6.989 1.00 0.00 C ATOM 614 CG ARG A 43 -7.387 -1.095 6.908 1.00 0.00 C ATOM 615 CD ARG A 43 -7.943 -1.834 8.116 1.00 0.00 C ATOM 616 NE ARG A 43 -7.234 -1.487 9.344 1.00 0.00 N ATOM 617 CZ ARG A 43 -7.520 -2.010 10.531 1.00 0.00 C ATOM 618 NH1 ARG A 43 -8.495 -2.901 10.649 1.00 0.00 N ATOM 619 NH2 ARG A 43 -6.829 -1.643 11.603 1.00 0.00 N ATOM 0 H ARG A 43 -8.960 2.622 6.057 1.00 0.00 H new ATOM 0 HA ARG A 43 -6.523 1.107 5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -6.974 0.852 7.692 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.673 0.545 7.392 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.827 -1.501 5.997 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.311 -1.259 6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.001 -1.598 8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.872 -2.909 7.948 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.477 -0.805 9.287 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.027 -3.186 9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.713 -3.301 11.562 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.078 -0.959 11.516 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.049 -2.045 12.514 1.00 0.00 H new ATOM 633 N ILE A 44 -7.844 0.229 3.403 1.00 0.00 N ATOM 634 CA ILE A 44 -8.542 -0.450 2.317 1.00 0.00 C ATOM 635 C ILE A 44 -8.050 -1.885 2.160 1.00 0.00 C ATOM 636 O ILE A 44 -6.879 -2.181 2.400 1.00 0.00 O ATOM 637 CB ILE A 44 -8.361 0.293 0.980 1.00 0.00 C ATOM 638 CG1 ILE A 44 -6.902 0.219 0.524 1.00 0.00 C ATOM 639 CG2 ILE A 44 -8.807 1.741 1.114 1.00 0.00 C ATOM 640 CD1 ILE A 44 -6.513 -1.129 -0.041 1.00 0.00 C ATOM 0 H ILE A 44 -6.911 0.562 3.162 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.600 -0.458 2.578 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.983 -0.190 0.226 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.727 0.985 -0.232 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -6.254 0.451 1.369 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.673 2.253 0.161 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.859 1.773 1.398 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -8.209 2.236 1.879 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.466 -1.108 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -6.656 -1.897 0.719 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -7.136 -1.354 -0.906 1.00 0.00 H new ATOM 652 N HIS A 45 -8.952 -2.772 1.753 1.00 0.00 N ATOM 653 CA HIS A 45 -8.609 -4.177 1.561 1.00 0.00 C ATOM 654 C HIS A 45 -8.308 -4.467 0.093 1.00 0.00 C ATOM 655 O HIS A 45 -9.014 -3.999 -0.801 1.00 0.00 O ATOM 656 CB HIS A 45 -9.749 -5.073 2.046 1.00 0.00 C ATOM 657 CG HIS A 45 -9.289 -6.405 2.554 1.00 0.00 C ATOM 658 ND1 HIS A 45 -9.947 -7.584 2.278 1.00 0.00 N ATOM 659 CD2 HIS A 45 -8.227 -6.740 3.324 1.00 0.00 C ATOM 660 CE1 HIS A 45 -9.312 -8.587 2.857 1.00 0.00 C ATOM 661 NE2 HIS A 45 -8.264 -8.102 3.498 1.00 0.00 N ATOM 0 H HIS A 45 -9.925 -2.543 1.550 1.00 0.00 H new ATOM 0 HA HIS A 45 -7.715 -4.390 2.146 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.292 -4.559 2.839 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -10.452 -5.228 1.227 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.488 -6.063 3.726 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.601 -9.627 2.814 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -7.592 -8.650 4.035 1.00 0.00 H new ATOM 670 N THR A 46 -7.255 -5.241 -0.148 1.00 0.00 N ATOM 671 CA THR A 46 -6.860 -5.592 -1.507 1.00 0.00 C ATOM 672 C THR A 46 -6.437 -7.053 -1.596 1.00 0.00 C ATOM 673 O THR A 46 -6.077 -7.669 -0.593 1.00 0.00 O ATOM 674 CB THR A 46 -5.703 -4.703 -2.002 1.00 0.00 C ATOM 675 OG1 THR A 46 -5.484 -4.919 -3.400 1.00 0.00 O ATOM 676 CG2 THR A 46 -4.425 -4.999 -1.232 1.00 0.00 C ATOM 0 H THR A 46 -6.660 -5.637 0.580 1.00 0.00 H new ATOM 0 HA THR A 46 -7.731 -5.430 -2.142 1.00 0.00 H new ATOM 0 HB THR A 46 -5.977 -3.661 -1.834 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.748 -4.349 -3.708 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.623 -4.359 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 46 -4.586 -4.806 -0.171 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.149 -6.044 -1.373 1.00 0.00 H new ATOM 684 N LYS A 47 -6.483 -7.605 -2.805 1.00 0.00 N ATOM 685 CA LYS A 47 -6.102 -8.995 -3.027 1.00 0.00 C ATOM 686 C LYS A 47 -5.165 -9.117 -4.224 1.00 0.00 C ATOM 687 O LYS A 47 -5.290 -8.379 -5.201 1.00 0.00 O ATOM 688 CB LYS A 47 -7.347 -9.856 -3.250 1.00 0.00 C ATOM 689 CG LYS A 47 -8.155 -9.452 -4.472 1.00 0.00 C ATOM 690 CD LYS A 47 -7.700 -10.200 -5.714 1.00 0.00 C ATOM 691 CE LYS A 47 -8.651 -9.977 -6.879 1.00 0.00 C ATOM 692 NZ LYS A 47 -8.128 -10.566 -8.143 1.00 0.00 N ATOM 0 H LYS A 47 -6.781 -7.110 -3.646 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.577 -9.349 -2.140 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.044 -10.898 -3.353 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.984 -9.795 -2.367 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -9.212 -9.651 -4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.056 -8.379 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.699 -9.870 -5.992 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.635 -11.266 -5.495 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -9.620 -10.419 -6.646 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.813 -8.908 -7.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.805 -10.393 -8.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.215 -10.127 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.998 -11.591 -8.021 1.00 0.00 H new ATOM 706 N ALA A 48 -4.227 -10.055 -4.141 1.00 0.00 N ATOM 707 CA ALA A 48 -3.271 -10.276 -5.219 1.00 0.00 C ATOM 708 C ALA A 48 -3.524 -11.611 -5.911 1.00 0.00 C ATOM 709 O ALA A 48 -4.485 -12.312 -5.596 1.00 0.00 O ATOM 710 CB ALA A 48 -1.848 -10.219 -4.683 1.00 0.00 C ATOM 0 H ALA A 48 -4.109 -10.674 -3.339 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.402 -9.483 -5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -1.145 -10.386 -5.499 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -1.665 -9.240 -4.241 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.714 -10.991 -3.925 1.00 0.00 H new ATOM 716 N GLU A 49 -2.655 -11.956 -6.857 1.00 0.00 N ATOM 717 CA GLU A 49 -2.787 -13.207 -7.594 1.00 0.00 C ATOM 718 C GLU A 49 -2.563 -14.406 -6.677 1.00 0.00 C ATOM 719 O GLU A 49 -2.863 -15.543 -7.038 1.00 0.00 O ATOM 720 CB GLU A 49 -1.792 -13.247 -8.756 1.00 0.00 C ATOM 721 CG GLU A 49 -2.229 -14.145 -9.901 1.00 0.00 C ATOM 722 CD GLU A 49 -3.669 -13.908 -10.311 1.00 0.00 C ATOM 723 OE1 GLU A 49 -4.572 -14.482 -9.666 1.00 0.00 O ATOM 724 OE2 GLU A 49 -3.894 -13.149 -11.276 1.00 0.00 O ATOM 0 H GLU A 49 -1.854 -11.387 -7.130 1.00 0.00 H new ATOM 0 HA GLU A 49 -3.801 -13.260 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.647 -12.235 -9.134 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.826 -13.590 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.578 -13.976 -10.759 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.106 -15.188 -9.608 1.00 0.00 H new ATOM 731 N GLY A 50 -2.031 -14.142 -5.487 1.00 0.00 N ATOM 732 CA GLY A 50 -1.775 -15.208 -4.536 1.00 0.00 C ATOM 733 C GLY A 50 -0.809 -16.245 -5.074 1.00 0.00 C ATOM 734 O GLY A 50 -0.998 -16.770 -6.172 1.00 0.00 O ATOM 0 H GLY A 50 -1.773 -13.209 -5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -1.372 -14.782 -3.617 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -2.716 -15.693 -4.276 1.00 0.00 H new ATOM 738 N PHE A 51 0.231 -16.540 -4.301 1.00 0.00 N ATOM 739 CA PHE A 51 1.232 -17.520 -4.708 1.00 0.00 C ATOM 740 C PHE A 51 0.570 -18.760 -5.300 1.00 0.00 C ATOM 741 O PHE A 51 1.019 -19.292 -6.315 1.00 0.00 O ATOM 742 CB PHE A 51 2.105 -17.914 -3.514 1.00 0.00 C ATOM 743 CG PHE A 51 2.309 -16.800 -2.528 1.00 0.00 C ATOM 744 CD1 PHE A 51 2.685 -15.537 -2.957 1.00 0.00 C ATOM 745 CD2 PHE A 51 2.126 -17.016 -1.171 1.00 0.00 C ATOM 746 CE1 PHE A 51 2.874 -14.511 -2.051 1.00 0.00 C ATOM 747 CE2 PHE A 51 2.314 -15.994 -0.261 1.00 0.00 C ATOM 748 CZ PHE A 51 2.688 -14.739 -0.701 1.00 0.00 C ATOM 0 H PHE A 51 0.403 -16.115 -3.390 1.00 0.00 H new ATOM 0 HA PHE A 51 1.860 -17.065 -5.474 1.00 0.00 H new ATOM 0 HB2 PHE A 51 1.647 -18.761 -3.003 1.00 0.00 H new ATOM 0 HB3 PHE A 51 3.076 -18.248 -3.879 1.00 0.00 H new ATOM 0 HD1 PHE A 51 2.832 -15.353 -4.011 1.00 0.00 H new ATOM 0 HD2 PHE A 51 1.833 -17.995 -0.821 1.00 0.00 H new ATOM 0 HE1 PHE A 51 3.167 -13.531 -2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 51 2.169 -16.176 0.794 1.00 0.00 H new ATOM 0 HZ PHE A 51 2.835 -13.938 0.009 1.00 0.00 H new ATOM 758 N MET A 52 -0.500 -19.216 -4.658 1.00 0.00 N ATOM 759 CA MET A 52 -1.225 -20.394 -5.121 1.00 0.00 C ATOM 760 C MET A 52 -2.494 -19.993 -5.866 1.00 0.00 C ATOM 761 O MET A 52 -3.572 -20.528 -5.607 1.00 0.00 O ATOM 762 CB MET A 52 -1.578 -21.300 -3.940 1.00 0.00 C ATOM 763 CG MET A 52 -2.083 -22.672 -4.355 1.00 0.00 C ATOM 764 SD MET A 52 -0.789 -23.700 -5.076 1.00 0.00 S ATOM 765 CE MET A 52 -0.688 -25.016 -3.865 1.00 0.00 C ATOM 0 H MET A 52 -0.885 -18.788 -3.816 1.00 0.00 H new ATOM 0 HA MET A 52 -0.579 -20.940 -5.808 1.00 0.00 H new ATOM 0 HB2 MET A 52 -0.697 -21.422 -3.310 1.00 0.00 H new ATOM 0 HB3 MET A 52 -2.339 -20.811 -3.332 1.00 0.00 H new ATOM 0 HG2 MET A 52 -2.502 -23.179 -3.486 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.892 -22.554 -5.076 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.072 -25.735 -4.171 1.00 0.00 H new ATOM 0 HE2 MET A 52 -0.422 -24.598 -2.894 1.00 0.00 H new ATOM 0 HE3 MET A 52 -1.653 -25.518 -3.792 1.00 0.00 H new ATOM 775 N ASP A 53 -2.359 -19.050 -6.791 1.00 0.00 N ATOM 776 CA ASP A 53 -3.495 -18.578 -7.574 1.00 0.00 C ATOM 777 C ASP A 53 -4.735 -18.429 -6.698 1.00 0.00 C ATOM 778 O ASP A 53 -5.822 -18.874 -7.063 1.00 0.00 O ATOM 779 CB ASP A 53 -3.783 -19.541 -8.727 1.00 0.00 C ATOM 780 CG ASP A 53 -2.631 -19.630 -9.709 1.00 0.00 C ATOM 781 OD1 ASP A 53 -1.483 -19.356 -9.302 1.00 0.00 O ATOM 782 OD2 ASP A 53 -2.878 -19.972 -10.884 1.00 0.00 O ATOM 0 H ASP A 53 -1.474 -18.597 -7.017 1.00 0.00 H new ATOM 0 HA ASP A 53 -3.241 -17.600 -7.983 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.991 -20.533 -8.325 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.680 -19.215 -9.253 1.00 0.00 H new ATOM 787 N ALA A 54 -4.562 -17.801 -5.539 1.00 0.00 N ATOM 788 CA ALA A 54 -5.667 -17.593 -4.611 1.00 0.00 C ATOM 789 C ALA A 54 -5.606 -16.202 -3.989 1.00 0.00 C ATOM 790 O ALA A 54 -4.694 -15.895 -3.221 1.00 0.00 O ATOM 791 CB ALA A 54 -5.653 -18.660 -3.526 1.00 0.00 C ATOM 0 H ALA A 54 -3.668 -17.428 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 54 -6.599 -17.672 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.483 -18.492 -2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -5.753 -19.645 -3.983 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -4.713 -18.608 -2.977 1.00 0.00 H new ATOM 797 N ASP A 55 -6.582 -15.366 -4.325 1.00 0.00 N ATOM 798 CA ASP A 55 -6.639 -14.007 -3.799 1.00 0.00 C ATOM 799 C ASP A 55 -6.215 -13.974 -2.334 1.00 0.00 C ATOM 800 O ASP A 55 -6.878 -14.553 -1.472 1.00 0.00 O ATOM 801 CB ASP A 55 -8.052 -13.440 -3.947 1.00 0.00 C ATOM 802 CG ASP A 55 -9.123 -14.457 -3.608 1.00 0.00 C ATOM 803 OD1 ASP A 55 -8.924 -15.232 -2.648 1.00 0.00 O ATOM 804 OD2 ASP A 55 -10.161 -14.479 -4.301 1.00 0.00 O ATOM 0 H ASP A 55 -7.344 -15.605 -4.959 1.00 0.00 H new ATOM 0 HA ASP A 55 -5.947 -13.391 -4.373 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -8.161 -12.571 -3.298 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.196 -13.093 -4.970 1.00 0.00 H new ATOM 809 N ILE A 56 -5.107 -13.293 -2.059 1.00 0.00 N ATOM 810 CA ILE A 56 -4.595 -13.185 -0.699 1.00 0.00 C ATOM 811 C ILE A 56 -5.098 -11.914 -0.022 1.00 0.00 C ATOM 812 O ILE A 56 -5.052 -10.821 -0.586 1.00 0.00 O ATOM 813 CB ILE A 56 -3.055 -13.191 -0.675 1.00 0.00 C ATOM 814 CG1 ILE A 56 -2.520 -14.490 -1.280 1.00 0.00 C ATOM 815 CG2 ILE A 56 -2.547 -13.015 0.748 1.00 0.00 C ATOM 816 CD1 ILE A 56 -1.010 -14.582 -1.274 1.00 0.00 C ATOM 0 H ILE A 56 -4.547 -12.808 -2.760 1.00 0.00 H new ATOM 0 HA ILE A 56 -4.962 -14.054 -0.153 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.693 -12.356 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.930 -15.335 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.877 -14.578 -2.306 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.457 -13.021 0.749 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.905 -12.066 1.147 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.915 -13.832 1.369 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.701 -15.529 -1.718 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.593 -13.757 -1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.646 -14.526 -0.248 1.00 0.00 H new ATOM 828 N PRO A 57 -5.588 -12.058 1.218 1.00 0.00 N ATOM 829 CA PRO A 57 -6.107 -10.932 2.000 1.00 0.00 C ATOM 830 C PRO A 57 -5.004 -9.977 2.442 1.00 0.00 C ATOM 831 O PRO A 57 -4.281 -10.248 3.402 1.00 0.00 O ATOM 832 CB PRO A 57 -6.747 -11.609 3.215 1.00 0.00 C ATOM 833 CG PRO A 57 -6.025 -12.905 3.351 1.00 0.00 C ATOM 834 CD PRO A 57 -5.674 -13.332 1.952 1.00 0.00 C ATOM 0 HA PRO A 57 -6.799 -10.319 1.423 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.637 -10.999 4.112 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -7.815 -11.765 3.064 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -5.129 -12.790 3.961 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.651 -13.651 3.841 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.730 -13.877 1.923 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.435 -13.989 1.530 1.00 0.00 H new ATOM 842 N LEU A 58 -4.880 -8.857 1.738 1.00 0.00 N ATOM 843 CA LEU A 58 -3.865 -7.860 2.058 1.00 0.00 C ATOM 844 C LEU A 58 -4.500 -6.608 2.653 1.00 0.00 C ATOM 845 O LEU A 58 -5.583 -6.194 2.241 1.00 0.00 O ATOM 846 CB LEU A 58 -3.067 -7.495 0.805 1.00 0.00 C ATOM 847 CG LEU A 58 -2.012 -8.509 0.362 1.00 0.00 C ATOM 848 CD1 LEU A 58 -1.672 -8.318 -1.108 1.00 0.00 C ATOM 849 CD2 LEU A 58 -0.761 -8.387 1.220 1.00 0.00 C ATOM 0 H LEU A 58 -5.470 -8.617 0.942 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.190 -8.290 2.798 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -3.767 -7.347 -0.017 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -2.573 -6.539 0.979 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.422 -9.511 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.920 -9.048 -1.405 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.570 -8.456 -1.710 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -1.282 -7.312 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.021 -9.116 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.349 -7.383 1.122 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.016 -8.575 2.263 1.00 0.00 H new ATOM 861 N GLU A 59 -3.817 -6.008 3.623 1.00 0.00 N ATOM 862 CA GLU A 59 -4.315 -4.801 4.274 1.00 0.00 C ATOM 863 C GLU A 59 -3.354 -3.634 4.065 1.00 0.00 C ATOM 864 O GLU A 59 -2.331 -3.529 4.742 1.00 0.00 O ATOM 865 CB GLU A 59 -4.517 -5.048 5.770 1.00 0.00 C ATOM 866 CG GLU A 59 -5.915 -5.527 6.125 1.00 0.00 C ATOM 867 CD GLU A 59 -5.947 -6.334 7.408 1.00 0.00 C ATOM 868 OE1 GLU A 59 -5.330 -5.896 8.401 1.00 0.00 O ATOM 869 OE2 GLU A 59 -6.589 -7.405 7.418 1.00 0.00 O ATOM 0 H GLU A 59 -2.918 -6.337 3.975 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.274 -4.545 3.823 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.792 -5.788 6.109 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.309 -4.126 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.575 -4.666 6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.305 -6.134 5.308 1.00 0.00 H new ATOM 876 N LEU A 60 -3.691 -2.761 3.122 1.00 0.00 N ATOM 877 CA LEU A 60 -2.858 -1.601 2.822 1.00 0.00 C ATOM 878 C LEU A 60 -3.390 -0.354 3.521 1.00 0.00 C ATOM 879 O LEU A 60 -4.440 0.175 3.157 1.00 0.00 O ATOM 880 CB LEU A 60 -2.800 -1.367 1.312 1.00 0.00 C ATOM 881 CG LEU A 60 -1.670 -2.077 0.565 1.00 0.00 C ATOM 882 CD1 LEU A 60 -1.999 -2.195 -0.915 1.00 0.00 C ATOM 883 CD2 LEU A 60 -0.354 -1.339 0.764 1.00 0.00 C ATOM 0 H LEU A 60 -4.534 -2.834 2.552 1.00 0.00 H new ATOM 0 HA LEU A 60 -1.852 -1.801 3.191 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -3.749 -1.683 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.709 -0.295 1.134 1.00 0.00 H new ATOM 0 HG LEU A 60 -1.566 -3.082 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.183 -2.703 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.918 -2.767 -1.039 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.131 -1.200 -1.339 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.439 -1.858 0.226 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -0.446 -0.322 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.111 -1.308 1.826 1.00 0.00 H new ATOM 895 N VAL A 61 -2.656 0.113 4.526 1.00 0.00 N ATOM 896 CA VAL A 61 -3.052 1.300 5.275 1.00 0.00 C ATOM 897 C VAL A 61 -2.086 2.454 5.027 1.00 0.00 C ATOM 898 O VAL A 61 -0.998 2.500 5.600 1.00 0.00 O ATOM 899 CB VAL A 61 -3.116 1.015 6.787 1.00 0.00 C ATOM 900 CG1 VAL A 61 -3.471 2.280 7.554 1.00 0.00 C ATOM 901 CG2 VAL A 61 -4.117 -0.093 7.078 1.00 0.00 C ATOM 0 H VAL A 61 -1.784 -0.312 4.840 1.00 0.00 H new ATOM 0 HA VAL A 61 -4.045 1.579 4.923 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.133 0.681 7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.512 2.059 8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.714 3.042 7.370 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.442 2.646 7.222 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.149 -0.281 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -5.106 0.210 6.733 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -3.814 -1.002 6.559 1.00 0.00 H new ATOM 911 N PHE A 62 -2.491 3.384 4.168 1.00 0.00 N ATOM 912 CA PHE A 62 -1.661 4.538 3.843 1.00 0.00 C ATOM 913 C PHE A 62 -2.026 5.734 4.718 1.00 0.00 C ATOM 914 O PHE A 62 -3.185 6.147 4.772 1.00 0.00 O ATOM 915 CB PHE A 62 -1.818 4.905 2.366 1.00 0.00 C ATOM 916 CG PHE A 62 -1.134 3.946 1.434 1.00 0.00 C ATOM 917 CD1 PHE A 62 0.246 3.935 1.321 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.873 3.056 0.672 1.00 0.00 C ATOM 919 CE1 PHE A 62 0.878 3.054 0.463 1.00 0.00 C ATOM 920 CE2 PHE A 62 -1.247 2.172 -0.187 1.00 0.00 C ATOM 921 CZ PHE A 62 0.130 2.170 -0.291 1.00 0.00 C ATOM 0 H PHE A 62 -3.389 3.361 3.685 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.621 4.273 4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -2.879 4.943 2.120 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -1.417 5.905 2.204 1.00 0.00 H new ATOM 0 HD1 PHE A 62 0.835 4.622 1.910 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -2.950 3.053 0.750 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.955 3.057 0.382 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.834 1.483 -0.776 1.00 0.00 H new ATOM 0 HZ PHE A 62 0.621 1.479 -0.960 1.00 0.00 H new ATOM 931 N HIS A 63 -1.029 6.284 5.403 1.00 0.00 N ATOM 932 CA HIS A 63 -1.244 7.433 6.276 1.00 0.00 C ATOM 933 C HIS A 63 -0.629 8.694 5.676 1.00 0.00 C ATOM 934 O HIS A 63 0.591 8.800 5.544 1.00 0.00 O ATOM 935 CB HIS A 63 -0.647 7.168 7.658 1.00 0.00 C ATOM 936 CG HIS A 63 -0.206 8.411 8.368 1.00 0.00 C ATOM 937 ND1 HIS A 63 1.120 8.748 8.542 1.00 0.00 N ATOM 938 CD2 HIS A 63 -0.923 9.401 8.948 1.00 0.00 C ATOM 939 CE1 HIS A 63 1.199 9.891 9.200 1.00 0.00 C ATOM 940 NE2 HIS A 63 -0.027 10.309 9.458 1.00 0.00 N ATOM 0 H HIS A 63 -0.065 5.953 5.371 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.318 7.587 6.376 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -1.386 6.652 8.271 1.00 0.00 H new ATOM 0 HB3 HIS A 63 0.206 6.497 7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -2.000 9.465 9.000 1.00 0.00 H new ATOM 0 HE1 HIS A 63 2.111 10.397 9.479 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.269 11.166 9.955 1.00 0.00 H new ATOM 949 N LEU A 64 -1.481 9.647 5.314 1.00 0.00 N ATOM 950 CA LEU A 64 -1.021 10.901 4.728 1.00 0.00 C ATOM 951 C LEU A 64 -0.739 11.938 5.810 1.00 0.00 C ATOM 952 O LEU A 64 -1.646 12.435 6.479 1.00 0.00 O ATOM 953 CB LEU A 64 -2.064 11.441 3.748 1.00 0.00 C ATOM 954 CG LEU A 64 -2.459 10.505 2.604 1.00 0.00 C ATOM 955 CD1 LEU A 64 -3.545 11.137 1.748 1.00 0.00 C ATOM 956 CD2 LEU A 64 -1.244 10.157 1.757 1.00 0.00 C ATOM 0 H LEU A 64 -2.493 9.575 5.416 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.094 10.703 4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.963 11.696 4.309 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -1.684 12.368 3.318 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.854 9.584 3.033 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.813 10.457 0.940 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.424 11.335 2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.178 12.073 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -1.543 9.491 0.948 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.820 11.069 1.338 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.497 9.662 2.378 1.00 0.00 H new ATOM 968 N PRO A 65 0.547 12.275 5.987 1.00 0.00 N ATOM 969 CA PRO A 65 0.978 13.258 6.985 1.00 0.00 C ATOM 970 C PRO A 65 0.554 14.677 6.622 1.00 0.00 C ATOM 971 O PRO A 65 -0.307 14.879 5.765 1.00 0.00 O ATOM 972 CB PRO A 65 2.503 13.135 6.969 1.00 0.00 C ATOM 973 CG PRO A 65 2.827 12.615 5.611 1.00 0.00 C ATOM 974 CD PRO A 65 1.680 11.723 5.225 1.00 0.00 C ATOM 0 HA PRO A 65 0.532 13.069 7.962 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.980 14.099 7.148 1.00 0.00 H new ATOM 0 HB3 PRO A 65 2.854 12.457 7.747 1.00 0.00 H new ATOM 0 HG2 PRO A 65 2.944 13.431 4.898 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.766 12.062 5.619 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.494 11.750 4.151 1.00 0.00 H new ATOM 0 HD3 PRO A 65 1.873 10.683 5.489 1.00 0.00 H new ATOM 982 N VAL A 66 1.163 15.659 7.279 1.00 0.00 N ATOM 983 CA VAL A 66 0.850 17.060 7.024 1.00 0.00 C ATOM 984 C VAL A 66 1.831 17.669 6.029 1.00 0.00 C ATOM 985 O VAL A 66 1.454 18.493 5.196 1.00 0.00 O ATOM 986 CB VAL A 66 0.875 17.886 8.324 1.00 0.00 C ATOM 987 CG1 VAL A 66 1.266 19.327 8.034 1.00 0.00 C ATOM 988 CG2 VAL A 66 -0.476 17.822 9.021 1.00 0.00 C ATOM 0 H VAL A 66 1.877 15.510 7.992 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.155 17.089 6.603 1.00 0.00 H new ATOM 0 HB VAL A 66 1.624 17.459 8.991 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.278 19.895 8.964 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.257 19.351 7.581 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.543 19.769 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.441 18.411 9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.245 18.223 8.361 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.711 16.786 9.264 1.00 0.00 H new ATOM 998 N ASN A 67 3.091 17.259 6.121 1.00 0.00 N ATOM 999 CA ASN A 67 4.127 17.765 5.228 1.00 0.00 C ATOM 1000 C ASN A 67 3.971 17.180 3.827 1.00 0.00 C ATOM 1001 O ASN A 67 4.231 17.853 2.830 1.00 0.00 O ATOM 1002 CB ASN A 67 5.514 17.431 5.781 1.00 0.00 C ATOM 1003 CG ASN A 67 6.556 18.462 5.389 1.00 0.00 C ATOM 1004 OD1 ASN A 67 6.331 19.281 4.499 1.00 0.00 O ATOM 1005 ND2 ASN A 67 7.704 18.424 6.055 1.00 0.00 N ATOM 0 H ASN A 67 3.420 16.578 6.805 1.00 0.00 H new ATOM 0 HA ASN A 67 4.020 18.848 5.164 1.00 0.00 H new ATOM 0 HB2 ASN A 67 5.463 17.365 6.868 1.00 0.00 H new ATOM 0 HB3 ASN A 67 5.821 16.451 5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 67 8.443 19.092 5.836 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.847 17.727 6.786 1.00 0.00 H new ATOM 1012 N TYR A 68 3.545 15.924 3.761 1.00 0.00 N ATOM 1013 CA TYR A 68 3.357 15.247 2.484 1.00 0.00 C ATOM 1014 C TYR A 68 2.892 16.228 1.411 1.00 0.00 C ATOM 1015 O TYR A 68 2.215 17.218 1.690 1.00 0.00 O ATOM 1016 CB TYR A 68 2.340 14.114 2.628 1.00 0.00 C ATOM 1017 CG TYR A 68 1.549 13.845 1.368 1.00 0.00 C ATOM 1018 CD1 TYR A 68 0.671 14.794 0.860 1.00 0.00 C ATOM 1019 CD2 TYR A 68 1.681 12.642 0.685 1.00 0.00 C ATOM 1020 CE1 TYR A 68 -0.054 14.552 -0.291 1.00 0.00 C ATOM 1021 CE2 TYR A 68 0.961 12.392 -0.467 1.00 0.00 C ATOM 1022 CZ TYR A 68 0.094 13.350 -0.951 1.00 0.00 C ATOM 1023 OH TYR A 68 -0.625 13.106 -2.098 1.00 0.00 O ATOM 0 H TYR A 68 3.323 15.354 4.577 1.00 0.00 H new ATOM 0 HA TYR A 68 4.316 14.829 2.179 1.00 0.00 H new ATOM 0 HB2 TYR A 68 2.863 13.203 2.920 1.00 0.00 H new ATOM 0 HB3 TYR A 68 1.649 14.358 3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.553 15.737 1.373 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.358 11.890 1.061 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.733 15.300 -0.672 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.076 11.452 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.404 12.214 -2.439 1.00 0.00 H new ATOM 1033 N PRO A 69 3.264 15.947 0.153 1.00 0.00 N ATOM 1034 CA PRO A 69 4.071 14.772 -0.190 1.00 0.00 C ATOM 1035 C PRO A 69 5.506 14.887 0.313 1.00 0.00 C ATOM 1036 O PRO A 69 6.332 14.009 0.066 1.00 0.00 O ATOM 1037 CB PRO A 69 4.040 14.756 -1.720 1.00 0.00 C ATOM 1038 CG PRO A 69 3.797 16.173 -2.110 1.00 0.00 C ATOM 1039 CD PRO A 69 2.927 16.756 -1.030 1.00 0.00 C ATOM 0 HA PRO A 69 3.682 13.862 0.268 1.00 0.00 H new ATOM 0 HB2 PRO A 69 4.980 14.388 -2.131 1.00 0.00 H new ATOM 0 HB3 PRO A 69 3.252 14.102 -2.093 1.00 0.00 H new ATOM 0 HG2 PRO A 69 4.735 16.721 -2.194 1.00 0.00 H new ATOM 0 HG3 PRO A 69 3.306 16.232 -3.081 1.00 0.00 H new ATOM 0 HD2 PRO A 69 3.141 17.813 -0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 69 1.869 16.679 -1.281 1.00 0.00 H new ATOM 1047 N SER A 70 5.795 15.975 1.019 1.00 0.00 N ATOM 1048 CA SER A 70 7.132 16.206 1.554 1.00 0.00 C ATOM 1049 C SER A 70 7.388 15.328 2.775 1.00 0.00 C ATOM 1050 O SER A 70 7.883 15.799 3.800 1.00 0.00 O ATOM 1051 CB SER A 70 7.308 17.680 1.926 1.00 0.00 C ATOM 1052 OG SER A 70 7.332 18.498 0.769 1.00 0.00 O ATOM 0 H SER A 70 5.122 16.710 1.234 1.00 0.00 H new ATOM 0 HA SER A 70 7.855 15.944 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.494 17.993 2.580 1.00 0.00 H new ATOM 0 HB3 SER A 70 8.234 17.809 2.486 1.00 0.00 H new ATOM 0 HG SER A 70 7.444 19.435 1.033 1.00 0.00 H new ATOM 1058 N CYS A 71 7.046 14.050 2.658 1.00 0.00 N ATOM 1059 CA CYS A 71 7.237 13.104 3.752 1.00 0.00 C ATOM 1060 C CYS A 71 6.884 11.687 3.314 1.00 0.00 C ATOM 1061 O CYS A 71 6.331 11.479 2.232 1.00 0.00 O ATOM 1062 CB CYS A 71 6.385 13.506 4.956 1.00 0.00 C ATOM 1063 SG CYS A 71 7.038 12.941 6.545 1.00 0.00 S ATOM 0 H CYS A 71 6.635 13.645 1.817 1.00 0.00 H new ATOM 0 HA CYS A 71 8.289 13.125 4.037 1.00 0.00 H new ATOM 0 HB2 CYS A 71 6.296 14.592 4.978 1.00 0.00 H new ATOM 0 HB3 CYS A 71 5.379 13.106 4.826 1.00 0.00 H new ATOM 0 HG CYS A 71 6.250 13.332 7.502 1.00 0.00 H new ATOM 1069 N LEU A 72 7.207 10.714 4.158 1.00 0.00 N ATOM 1070 CA LEU A 72 6.926 9.314 3.858 1.00 0.00 C ATOM 1071 C LEU A 72 5.623 8.868 4.514 1.00 0.00 C ATOM 1072 O LEU A 72 5.440 8.982 5.727 1.00 0.00 O ATOM 1073 CB LEU A 72 8.079 8.428 4.331 1.00 0.00 C ATOM 1074 CG LEU A 72 9.323 8.414 3.442 1.00 0.00 C ATOM 1075 CD1 LEU A 72 10.428 7.589 4.084 1.00 0.00 C ATOM 1076 CD2 LEU A 72 8.986 7.874 2.060 1.00 0.00 C ATOM 0 H LEU A 72 7.664 10.868 5.057 1.00 0.00 H new ATOM 0 HA LEU A 72 6.820 9.214 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.374 8.752 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.711 7.406 4.423 1.00 0.00 H new ATOM 0 HG LEU A 72 9.679 9.438 3.332 1.00 0.00 H new ATOM 0 HD11 LEU A 72 11.305 7.590 3.437 1.00 0.00 H new ATOM 0 HD12 LEU A 72 10.689 8.020 5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 72 10.082 6.565 4.225 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.884 7.872 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 72 8.605 6.857 2.150 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.228 8.506 1.597 1.00 0.00 H new ATOM 1088 N PRO A 73 4.697 8.345 3.697 1.00 0.00 N ATOM 1089 CA PRO A 73 3.397 7.868 4.178 1.00 0.00 C ATOM 1090 C PRO A 73 3.517 6.598 5.013 1.00 0.00 C ATOM 1091 O PRO A 73 4.311 5.711 4.701 1.00 0.00 O ATOM 1092 CB PRO A 73 2.623 7.587 2.887 1.00 0.00 C ATOM 1093 CG PRO A 73 3.675 7.316 1.867 1.00 0.00 C ATOM 1094 CD PRO A 73 4.848 8.179 2.242 1.00 0.00 C ATOM 0 HA PRO A 73 2.914 8.594 4.833 1.00 0.00 H new ATOM 0 HB2 PRO A 73 1.955 6.734 3.003 1.00 0.00 H new ATOM 0 HB3 PRO A 73 2.005 8.439 2.602 1.00 0.00 H new ATOM 0 HG2 PRO A 73 3.952 6.262 1.863 1.00 0.00 H new ATOM 0 HG3 PRO A 73 3.318 7.556 0.865 1.00 0.00 H new ATOM 0 HD2 PRO A 73 5.795 7.703 1.988 1.00 0.00 H new ATOM 0 HD3 PRO A 73 4.824 9.137 1.723 1.00 0.00 H new ATOM 1102 N GLY A 74 2.724 6.518 6.077 1.00 0.00 N ATOM 1103 CA GLY A 74 2.758 5.352 6.941 1.00 0.00 C ATOM 1104 C GLY A 74 2.225 4.108 6.258 1.00 0.00 C ATOM 1105 O GLY A 74 1.015 3.885 6.217 1.00 0.00 O ATOM 0 H GLY A 74 2.059 7.239 6.356 1.00 0.00 H new ATOM 0 HA2 GLY A 74 3.783 5.174 7.265 1.00 0.00 H new ATOM 0 HA3 GLY A 74 2.170 5.551 7.837 1.00 0.00 H new ATOM 1109 N ILE A 75 3.129 3.298 5.719 1.00 0.00 N ATOM 1110 CA ILE A 75 2.743 2.071 5.034 1.00 0.00 C ATOM 1111 C ILE A 75 2.655 0.901 6.008 1.00 0.00 C ATOM 1112 O ILE A 75 3.479 0.772 6.914 1.00 0.00 O ATOM 1113 CB ILE A 75 3.735 1.716 3.911 1.00 0.00 C ATOM 1114 CG1 ILE A 75 3.884 2.891 2.942 1.00 0.00 C ATOM 1115 CG2 ILE A 75 3.276 0.468 3.172 1.00 0.00 C ATOM 1116 CD1 ILE A 75 5.155 2.842 2.124 1.00 0.00 C ATOM 0 H ILE A 75 4.134 3.469 5.743 1.00 0.00 H new ATOM 0 HA ILE A 75 1.761 2.251 4.596 1.00 0.00 H new ATOM 0 HB ILE A 75 4.708 1.512 4.358 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.028 2.906 2.268 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.861 3.823 3.507 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.988 0.231 2.382 1.00 0.00 H new ATOM 0 HG22 ILE A 75 3.217 -0.367 3.870 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.294 0.645 2.734 1.00 0.00 H new ATOM 0 HD11 ILE A 75 5.194 3.705 1.460 1.00 0.00 H new ATOM 0 HD12 ILE A 75 6.017 2.858 2.790 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.171 1.927 1.532 1.00 0.00 H new ATOM 1128 N SER A 76 1.653 0.050 5.815 1.00 0.00 N ATOM 1129 CA SER A 76 1.456 -1.109 6.678 1.00 0.00 C ATOM 1130 C SER A 76 0.982 -2.313 5.870 1.00 0.00 C ATOM 1131 O SER A 76 0.150 -2.182 4.971 1.00 0.00 O ATOM 1132 CB SER A 76 0.443 -0.786 7.777 1.00 0.00 C ATOM 1133 OG SER A 76 1.004 0.077 8.751 1.00 0.00 O ATOM 0 H SER A 76 0.964 0.141 5.068 1.00 0.00 H new ATOM 0 HA SER A 76 2.413 -1.356 7.138 1.00 0.00 H new ATOM 0 HB2 SER A 76 -0.438 -0.319 7.337 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.111 -1.709 8.252 1.00 0.00 H new ATOM 0 HG SER A 76 0.336 0.269 9.441 1.00 0.00 H new ATOM 1139 N ILE A 77 1.516 -3.485 6.198 1.00 0.00 N ATOM 1140 CA ILE A 77 1.147 -4.712 5.504 1.00 0.00 C ATOM 1141 C ILE A 77 0.805 -5.821 6.494 1.00 0.00 C ATOM 1142 O ILE A 77 1.604 -6.153 7.369 1.00 0.00 O ATOM 1143 CB ILE A 77 2.277 -5.197 4.577 1.00 0.00 C ATOM 1144 CG1 ILE A 77 2.759 -4.053 3.683 1.00 0.00 C ATOM 1145 CG2 ILE A 77 1.804 -6.373 3.735 1.00 0.00 C ATOM 1146 CD1 ILE A 77 1.713 -3.571 2.703 1.00 0.00 C ATOM 0 H ILE A 77 2.205 -3.610 6.940 1.00 0.00 H new ATOM 0 HA ILE A 77 0.268 -4.482 4.901 1.00 0.00 H new ATOM 0 HB ILE A 77 3.114 -5.530 5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.069 -3.218 4.311 1.00 0.00 H new ATOM 0 HG13 ILE A 77 3.640 -4.381 3.130 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.614 -6.704 3.085 1.00 0.00 H new ATOM 0 HG22 ILE A 77 1.506 -7.192 4.389 1.00 0.00 H new ATOM 0 HG23 ILE A 77 0.953 -6.066 3.127 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.124 -2.760 2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.420 -4.393 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 77 0.841 -3.212 3.249 1.00 0.00 H new ATOM 1158 N ASN A 78 -0.386 -6.391 6.347 1.00 0.00 N ATOM 1159 CA ASN A 78 -0.834 -7.465 7.228 1.00 0.00 C ATOM 1160 C ASN A 78 -1.904 -8.314 6.549 1.00 0.00 C ATOM 1161 O ASN A 78 -2.966 -7.815 6.180 1.00 0.00 O ATOM 1162 CB ASN A 78 -1.379 -6.886 8.535 1.00 0.00 C ATOM 1163 CG ASN A 78 -0.651 -5.624 8.956 1.00 0.00 C ATOM 1164 OD1 ASN A 78 0.304 -5.674 9.731 1.00 0.00 O ATOM 1165 ND2 ASN A 78 -1.102 -4.483 8.447 1.00 0.00 N ATOM 0 H ASN A 78 -1.059 -6.128 5.627 1.00 0.00 H new ATOM 0 HA ASN A 78 0.023 -8.101 7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.441 -6.668 8.418 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.292 -7.633 9.324 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -0.653 -3.601 8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -1.897 -4.489 7.808 1.00 0.00 H new ATOM 1172 N SER A 79 -1.615 -9.602 6.388 1.00 0.00 N ATOM 1173 CA SER A 79 -2.551 -10.521 5.751 1.00 0.00 C ATOM 1174 C SER A 79 -2.820 -11.728 6.645 1.00 0.00 C ATOM 1175 O SER A 79 -2.002 -12.079 7.495 1.00 0.00 O ATOM 1176 CB SER A 79 -2.003 -10.985 4.400 1.00 0.00 C ATOM 1177 OG SER A 79 -2.742 -12.086 3.901 1.00 0.00 O ATOM 0 H SER A 79 -0.741 -10.032 6.690 1.00 0.00 H new ATOM 0 HA SER A 79 -3.490 -9.992 5.592 1.00 0.00 H new ATOM 0 HB2 SER A 79 -2.043 -10.162 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 79 -0.955 -11.265 4.506 1.00 0.00 H new ATOM 0 HG SER A 79 -3.438 -11.763 3.292 1.00 0.00 H new ATOM 1183 N GLU A 80 -3.973 -12.359 6.446 1.00 0.00 N ATOM 1184 CA GLU A 80 -4.351 -13.526 7.235 1.00 0.00 C ATOM 1185 C GLU A 80 -3.289 -14.617 7.134 1.00 0.00 C ATOM 1186 O GLU A 80 -2.955 -15.264 8.126 1.00 0.00 O ATOM 1187 CB GLU A 80 -5.703 -14.069 6.766 1.00 0.00 C ATOM 1188 CG GLU A 80 -6.875 -13.168 7.114 1.00 0.00 C ATOM 1189 CD GLU A 80 -8.194 -13.696 6.585 1.00 0.00 C ATOM 1190 OE1 GLU A 80 -8.655 -14.745 7.084 1.00 0.00 O ATOM 1191 OE2 GLU A 80 -8.766 -13.062 5.674 1.00 0.00 O ATOM 0 H GLU A 80 -4.661 -12.082 5.746 1.00 0.00 H new ATOM 0 HA GLU A 80 -4.433 -13.218 8.277 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.673 -14.211 5.686 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.865 -15.050 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -6.938 -13.063 8.197 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.697 -12.173 6.707 1.00 0.00 H new ATOM 1198 N GLN A 81 -2.763 -14.814 5.930 1.00 0.00 N ATOM 1199 CA GLN A 81 -1.741 -15.827 5.700 1.00 0.00 C ATOM 1200 C GLN A 81 -0.365 -15.317 6.117 1.00 0.00 C ATOM 1201 O GLN A 81 0.461 -16.074 6.627 1.00 0.00 O ATOM 1202 CB GLN A 81 -1.720 -16.236 4.226 1.00 0.00 C ATOM 1203 CG GLN A 81 -1.496 -15.072 3.274 1.00 0.00 C ATOM 1204 CD GLN A 81 -0.749 -15.480 2.020 1.00 0.00 C ATOM 1205 OE1 GLN A 81 0.334 -14.968 1.734 1.00 0.00 O ATOM 1206 NE2 GLN A 81 -1.325 -16.406 1.262 1.00 0.00 N ATOM 0 H GLN A 81 -3.028 -14.285 5.099 1.00 0.00 H new ATOM 0 HA GLN A 81 -1.986 -16.698 6.308 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -0.934 -16.975 4.074 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -2.665 -16.720 3.979 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -2.459 -14.645 2.996 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -0.937 -14.290 3.787 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -2.223 -16.804 1.537 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -0.869 -16.720 0.405 1.00 0.00 H new ATOM 1215 N LEU A 82 -0.126 -14.029 5.896 1.00 0.00 N ATOM 1216 CA LEU A 82 1.151 -13.417 6.249 1.00 0.00 C ATOM 1217 C LEU A 82 1.446 -13.592 7.735 1.00 0.00 C ATOM 1218 O LEU A 82 0.537 -13.791 8.541 1.00 0.00 O ATOM 1219 CB LEU A 82 1.141 -11.930 5.891 1.00 0.00 C ATOM 1220 CG LEU A 82 1.430 -11.589 4.429 1.00 0.00 C ATOM 1221 CD1 LEU A 82 1.292 -10.093 4.192 1.00 0.00 C ATOM 1222 CD2 LEU A 82 2.819 -12.067 4.034 1.00 0.00 C ATOM 0 H LEU A 82 -0.799 -13.389 5.474 1.00 0.00 H new ATOM 0 HA LEU A 82 1.936 -13.917 5.681 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.165 -11.521 6.153 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.877 -11.422 6.514 1.00 0.00 H new ATOM 0 HG LEU A 82 0.699 -12.104 3.805 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.501 -9.869 3.146 1.00 0.00 H new ATOM 0 HD12 LEU A 82 0.277 -9.778 4.434 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.999 -9.557 4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.007 -11.816 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 82 3.564 -11.581 4.664 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.883 -13.147 4.164 1.00 0.00 H new ATOM 1234 N THR A 83 2.725 -13.516 8.092 1.00 0.00 N ATOM 1235 CA THR A 83 3.141 -13.665 9.480 1.00 0.00 C ATOM 1236 C THR A 83 3.846 -12.410 9.981 1.00 0.00 C ATOM 1237 O THR A 83 4.336 -11.604 9.190 1.00 0.00 O ATOM 1238 CB THR A 83 4.080 -14.873 9.659 1.00 0.00 C ATOM 1239 OG1 THR A 83 5.248 -14.710 8.845 1.00 0.00 O ATOM 1240 CG2 THR A 83 3.373 -16.168 9.286 1.00 0.00 C ATOM 0 H THR A 83 3.490 -13.352 7.438 1.00 0.00 H new ATOM 0 HA THR A 83 2.236 -13.828 10.065 1.00 0.00 H new ATOM 0 HB THR A 83 4.372 -14.926 10.708 1.00 0.00 H new ATOM 0 HG1 THR A 83 5.841 -15.481 8.965 1.00 0.00 H new ATOM 0 HG21 THR A 83 4.056 -17.007 9.420 1.00 0.00 H new ATOM 0 HG22 THR A 83 2.501 -16.304 9.926 1.00 0.00 H new ATOM 0 HG23 THR A 83 3.055 -16.122 8.244 1.00 0.00 H new ATOM 1248 N ARG A 84 3.894 -12.250 11.299 1.00 0.00 N ATOM 1249 CA ARG A 84 4.539 -11.091 11.905 1.00 0.00 C ATOM 1250 C ARG A 84 5.846 -10.761 11.190 1.00 0.00 C ATOM 1251 O ARG A 84 6.234 -9.597 11.092 1.00 0.00 O ATOM 1252 CB ARG A 84 4.809 -11.349 13.389 1.00 0.00 C ATOM 1253 CG ARG A 84 4.784 -10.090 14.240 1.00 0.00 C ATOM 1254 CD ARG A 84 6.132 -9.386 14.234 1.00 0.00 C ATOM 1255 NE ARG A 84 6.166 -8.259 15.162 1.00 0.00 N ATOM 1256 CZ ARG A 84 6.435 -8.381 16.457 1.00 0.00 C ATOM 1257 NH1 ARG A 84 6.692 -9.575 16.974 1.00 0.00 N ATOM 1258 NH2 ARG A 84 6.447 -7.308 17.237 1.00 0.00 N ATOM 0 H ARG A 84 3.494 -12.908 11.968 1.00 0.00 H new ATOM 0 HA ARG A 84 3.866 -10.239 11.807 1.00 0.00 H new ATOM 0 HB2 ARG A 84 4.065 -12.049 13.769 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.782 -11.830 13.495 1.00 0.00 H new ATOM 0 HG2 ARG A 84 4.017 -9.412 13.866 1.00 0.00 H new ATOM 0 HG3 ARG A 84 4.511 -10.347 15.264 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.914 -10.098 14.500 1.00 0.00 H new ATOM 0 HD3 ARG A 84 6.352 -9.033 13.227 1.00 0.00 H new ATOM 0 HE ARG A 84 5.973 -7.327 14.796 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.683 -10.402 16.377 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.898 -9.666 17.969 1.00 0.00 H new ATOM 0 HH21 ARG A 84 6.250 -6.388 16.842 1.00 0.00 H new ATOM 0 HH22 ARG A 84 6.654 -7.403 18.231 1.00 0.00 H new ATOM 1272 N ALA A 85 6.520 -11.792 10.693 1.00 0.00 N ATOM 1273 CA ALA A 85 7.782 -11.611 9.986 1.00 0.00 C ATOM 1274 C ALA A 85 7.550 -11.060 8.583 1.00 0.00 C ATOM 1275 O ALA A 85 7.972 -9.948 8.267 1.00 0.00 O ATOM 1276 CB ALA A 85 8.543 -12.927 9.919 1.00 0.00 C ATOM 0 H ALA A 85 6.213 -12.762 10.767 1.00 0.00 H new ATOM 0 HA ALA A 85 8.380 -10.886 10.539 1.00 0.00 H new ATOM 0 HB1 ALA A 85 9.483 -12.777 9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 85 8.749 -13.280 10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.943 -13.668 9.391 1.00 0.00 H new ATOM 1282 N GLN A 86 6.880 -11.846 7.746 1.00 0.00 N ATOM 1283 CA GLN A 86 6.594 -11.436 6.377 1.00 0.00 C ATOM 1284 C GLN A 86 5.868 -10.095 6.350 1.00 0.00 C ATOM 1285 O GLN A 86 6.304 -9.154 5.685 1.00 0.00 O ATOM 1286 CB GLN A 86 5.754 -12.499 5.668 1.00 0.00 C ATOM 1287 CG GLN A 86 6.490 -13.810 5.448 1.00 0.00 C ATOM 1288 CD GLN A 86 5.560 -14.947 5.075 1.00 0.00 C ATOM 1289 OE1 GLN A 86 4.937 -14.932 4.013 1.00 0.00 O ATOM 1290 NE2 GLN A 86 5.460 -15.942 5.949 1.00 0.00 N ATOM 0 H GLN A 86 6.525 -12.770 7.992 1.00 0.00 H new ATOM 0 HA GLN A 86 7.543 -11.325 5.853 1.00 0.00 H new ATOM 0 HB2 GLN A 86 4.855 -12.691 6.255 1.00 0.00 H new ATOM 0 HB3 GLN A 86 5.428 -12.109 4.704 1.00 0.00 H new ATOM 0 HG2 GLN A 86 7.231 -13.678 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 86 7.034 -14.073 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 86 5.995 -15.914 6.817 1.00 0.00 H new ATOM 0 HE22 GLN A 86 4.849 -16.734 5.752 1.00 0.00 H new ATOM 1299 N CYS A 87 4.758 -10.015 7.076 1.00 0.00 N ATOM 1300 CA CYS A 87 3.970 -8.789 7.135 1.00 0.00 C ATOM 1301 C CYS A 87 4.872 -7.569 7.288 1.00 0.00 C ATOM 1302 O CYS A 87 4.521 -6.466 6.867 1.00 0.00 O ATOM 1303 CB CYS A 87 2.976 -8.852 8.295 1.00 0.00 C ATOM 1304 SG CYS A 87 3.702 -8.486 9.910 1.00 0.00 S ATOM 0 H CYS A 87 4.384 -10.784 7.632 1.00 0.00 H new ATOM 0 HA CYS A 87 3.419 -8.696 6.199 1.00 0.00 H new ATOM 0 HB2 CYS A 87 2.167 -8.147 8.104 1.00 0.00 H new ATOM 0 HB3 CYS A 87 2.532 -9.847 8.325 1.00 0.00 H new ATOM 0 HG CYS A 87 4.888 -9.013 9.982 1.00 0.00 H new ATOM 1310 N VAL A 88 6.037 -7.773 7.895 1.00 0.00 N ATOM 1311 CA VAL A 88 6.990 -6.690 8.105 1.00 0.00 C ATOM 1312 C VAL A 88 7.880 -6.496 6.882 1.00 0.00 C ATOM 1313 O VAL A 88 8.044 -5.379 6.391 1.00 0.00 O ATOM 1314 CB VAL A 88 7.879 -6.955 9.335 1.00 0.00 C ATOM 1315 CG1 VAL A 88 8.960 -5.892 9.452 1.00 0.00 C ATOM 1316 CG2 VAL A 88 7.034 -7.010 10.600 1.00 0.00 C ATOM 0 H VAL A 88 6.343 -8.679 8.250 1.00 0.00 H new ATOM 0 HA VAL A 88 6.407 -5.785 8.275 1.00 0.00 H new ATOM 0 HB VAL A 88 8.367 -7.922 9.208 1.00 0.00 H new ATOM 0 HG11 VAL A 88 9.578 -6.096 10.327 1.00 0.00 H new ATOM 0 HG12 VAL A 88 9.582 -5.906 8.557 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.496 -4.911 9.556 1.00 0.00 H new ATOM 0 HG21 VAL A 88 7.677 -7.198 11.459 1.00 0.00 H new ATOM 0 HG22 VAL A 88 6.518 -6.060 10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 88 6.301 -7.812 10.513 1.00 0.00 H new ATOM 1326 N THR A 89 8.452 -7.592 6.393 1.00 0.00 N ATOM 1327 CA THR A 89 9.326 -7.543 5.228 1.00 0.00 C ATOM 1328 C THR A 89 8.635 -6.865 4.051 1.00 0.00 C ATOM 1329 O THR A 89 9.252 -6.094 3.316 1.00 0.00 O ATOM 1330 CB THR A 89 9.774 -8.954 4.802 1.00 0.00 C ATOM 1331 OG1 THR A 89 10.531 -9.566 5.852 1.00 0.00 O ATOM 1332 CG2 THR A 89 10.611 -8.896 3.533 1.00 0.00 C ATOM 0 H THR A 89 8.325 -8.525 6.786 1.00 0.00 H new ATOM 0 HA THR A 89 10.203 -6.963 5.515 1.00 0.00 H new ATOM 0 HB THR A 89 8.883 -9.549 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 89 11.068 -10.298 5.484 1.00 0.00 H new ATOM 0 HG21 THR A 89 10.916 -9.904 3.252 1.00 0.00 H new ATOM 0 HG22 THR A 89 10.021 -8.457 2.728 1.00 0.00 H new ATOM 0 HG23 THR A 89 11.496 -8.285 3.709 1.00 0.00 H new ATOM 1340 N VAL A 90 7.349 -7.156 3.877 1.00 0.00 N ATOM 1341 CA VAL A 90 6.573 -6.572 2.790 1.00 0.00 C ATOM 1342 C VAL A 90 6.414 -5.067 2.975 1.00 0.00 C ATOM 1343 O VAL A 90 6.593 -4.292 2.034 1.00 0.00 O ATOM 1344 CB VAL A 90 5.178 -7.216 2.688 1.00 0.00 C ATOM 1345 CG1 VAL A 90 4.395 -6.614 1.531 1.00 0.00 C ATOM 1346 CG2 VAL A 90 5.297 -8.724 2.533 1.00 0.00 C ATOM 0 H VAL A 90 6.823 -7.793 4.475 1.00 0.00 H new ATOM 0 HA VAL A 90 7.123 -6.766 1.869 1.00 0.00 H new ATOM 0 HB VAL A 90 4.634 -7.010 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.412 -7.081 1.475 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.278 -5.542 1.689 1.00 0.00 H new ATOM 0 HG13 VAL A 90 4.933 -6.787 0.599 1.00 0.00 H new ATOM 0 HG21 VAL A 90 4.301 -9.162 2.462 1.00 0.00 H new ATOM 0 HG22 VAL A 90 5.859 -8.953 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 90 5.816 -9.139 3.397 1.00 0.00 H new ATOM 1356 N LYS A 91 6.078 -4.658 4.193 1.00 0.00 N ATOM 1357 CA LYS A 91 5.896 -3.245 4.504 1.00 0.00 C ATOM 1358 C LYS A 91 7.212 -2.486 4.372 1.00 0.00 C ATOM 1359 O LYS A 91 7.318 -1.542 3.589 1.00 0.00 O ATOM 1360 CB LYS A 91 5.340 -3.081 5.920 1.00 0.00 C ATOM 1361 CG LYS A 91 5.347 -1.644 6.413 1.00 0.00 C ATOM 1362 CD LYS A 91 6.644 -1.307 7.129 1.00 0.00 C ATOM 1363 CE LYS A 91 6.526 -0.009 7.913 1.00 0.00 C ATOM 1364 NZ LYS A 91 6.013 -0.239 9.292 1.00 0.00 N ATOM 0 H LYS A 91 5.926 -5.286 4.982 1.00 0.00 H new ATOM 0 HA LYS A 91 5.184 -2.830 3.791 1.00 0.00 H new ATOM 0 HB2 LYS A 91 4.319 -3.461 5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 91 5.926 -3.694 6.605 1.00 0.00 H new ATOM 0 HG2 LYS A 91 5.210 -0.968 5.569 1.00 0.00 H new ATOM 0 HG3 LYS A 91 4.506 -1.486 7.088 1.00 0.00 H new ATOM 0 HD2 LYS A 91 6.909 -2.119 7.806 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.451 -1.222 6.401 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.502 0.474 7.964 1.00 0.00 H new ATOM 0 HE3 LYS A 91 5.859 0.674 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 5.947 0.670 9.794 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 5.071 -0.677 9.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 6.662 -0.870 9.803 1.00 0.00 H new ATOM 1378 N GLU A 92 8.212 -2.904 5.142 1.00 0.00 N ATOM 1379 CA GLU A 92 9.521 -2.263 5.110 1.00 0.00 C ATOM 1380 C GLU A 92 9.947 -1.969 3.674 1.00 0.00 C ATOM 1381 O GLU A 92 10.457 -0.889 3.374 1.00 0.00 O ATOM 1382 CB GLU A 92 10.565 -3.149 5.792 1.00 0.00 C ATOM 1383 CG GLU A 92 10.763 -4.492 5.110 1.00 0.00 C ATOM 1384 CD GLU A 92 11.853 -5.321 5.760 1.00 0.00 C ATOM 1385 OE1 GLU A 92 12.182 -5.054 6.935 1.00 0.00 O ATOM 1386 OE2 GLU A 92 12.377 -6.238 5.094 1.00 0.00 O ATOM 0 H GLU A 92 8.140 -3.684 5.796 1.00 0.00 H new ATOM 0 HA GLU A 92 9.448 -1.319 5.650 1.00 0.00 H new ATOM 0 HB2 GLU A 92 11.518 -2.620 5.817 1.00 0.00 H new ATOM 0 HB3 GLU A 92 10.266 -3.317 6.827 1.00 0.00 H new ATOM 0 HG2 GLU A 92 9.826 -5.049 5.133 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.012 -4.330 4.061 1.00 0.00 H new ATOM 1393 N LYS A 93 9.735 -2.938 2.790 1.00 0.00 N ATOM 1394 CA LYS A 93 10.096 -2.785 1.386 1.00 0.00 C ATOM 1395 C LYS A 93 9.340 -1.621 0.753 1.00 0.00 C ATOM 1396 O LYS A 93 9.946 -0.669 0.260 1.00 0.00 O ATOM 1397 CB LYS A 93 9.800 -4.076 0.619 1.00 0.00 C ATOM 1398 CG LYS A 93 10.754 -5.212 0.949 1.00 0.00 C ATOM 1399 CD LYS A 93 12.068 -5.072 0.200 1.00 0.00 C ATOM 1400 CE LYS A 93 13.067 -6.139 0.622 1.00 0.00 C ATOM 1401 NZ LYS A 93 14.443 -5.831 0.143 1.00 0.00 N ATOM 0 H LYS A 93 9.315 -3.838 3.021 1.00 0.00 H new ATOM 0 HA LYS A 93 11.164 -2.574 1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 93 8.781 -4.393 0.838 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.847 -3.872 -0.451 1.00 0.00 H new ATOM 0 HG2 LYS A 93 10.946 -5.227 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 93 10.289 -6.164 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.886 -5.146 -0.872 1.00 0.00 H new ATOM 0 HD3 LYS A 93 12.490 -4.084 0.385 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.071 -6.223 1.709 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.753 -7.106 0.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.094 -6.581 0.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 14.445 -5.776 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 14.753 -4.920 0.539 1.00 0.00 H new ATOM 1415 N LEU A 94 8.014 -1.703 0.772 1.00 0.00 N ATOM 1416 CA LEU A 94 7.175 -0.655 0.201 1.00 0.00 C ATOM 1417 C LEU A 94 7.753 0.726 0.495 1.00 0.00 C ATOM 1418 O LEU A 94 7.997 1.516 -0.418 1.00 0.00 O ATOM 1419 CB LEU A 94 5.753 -0.754 0.757 1.00 0.00 C ATOM 1420 CG LEU A 94 4.862 -1.827 0.132 1.00 0.00 C ATOM 1421 CD1 LEU A 94 3.724 -2.191 1.073 1.00 0.00 C ATOM 1422 CD2 LEU A 94 4.317 -1.354 -1.208 1.00 0.00 C ATOM 0 H LEU A 94 7.497 -2.484 1.176 1.00 0.00 H new ATOM 0 HA LEU A 94 7.147 -0.794 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 94 5.816 -0.941 1.829 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.266 0.213 0.630 1.00 0.00 H new ATOM 0 HG LEU A 94 5.465 -2.719 -0.038 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.100 -2.956 0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.133 -2.573 2.008 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.122 -1.305 1.275 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.685 -2.131 -1.638 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.730 -0.447 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.146 -1.145 -1.884 1.00 0.00 H new ATOM 1434 N LEU A 95 7.972 1.010 1.774 1.00 0.00 N ATOM 1435 CA LEU A 95 8.524 2.295 2.189 1.00 0.00 C ATOM 1436 C LEU A 95 9.788 2.624 1.401 1.00 0.00 C ATOM 1437 O LEU A 95 9.872 3.666 0.752 1.00 0.00 O ATOM 1438 CB LEU A 95 8.833 2.280 3.687 1.00 0.00 C ATOM 1439 CG LEU A 95 7.653 2.560 4.618 1.00 0.00 C ATOM 1440 CD1 LEU A 95 8.060 2.361 6.070 1.00 0.00 C ATOM 1441 CD2 LEU A 95 7.124 3.970 4.399 1.00 0.00 C ATOM 0 H LEU A 95 7.776 0.368 2.542 1.00 0.00 H new ATOM 0 HA LEU A 95 7.780 3.065 1.986 1.00 0.00 H new ATOM 0 HB2 LEU A 95 9.248 1.305 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 95 9.610 3.019 3.885 1.00 0.00 H new ATOM 0 HG LEU A 95 6.856 1.854 4.385 1.00 0.00 H new ATOM 0 HD11 LEU A 95 7.208 2.565 6.718 1.00 0.00 H new ATOM 0 HD12 LEU A 95 8.390 1.333 6.218 1.00 0.00 H new ATOM 0 HD13 LEU A 95 8.874 3.043 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.284 4.152 5.070 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.915 4.691 4.604 1.00 0.00 H new ATOM 0 HD23 LEU A 95 6.793 4.078 3.366 1.00 0.00 H new ATOM 1453 N GLU A 96 10.768 1.727 1.461 1.00 0.00 N ATOM 1454 CA GLU A 96 12.026 1.923 0.751 1.00 0.00 C ATOM 1455 C GLU A 96 11.779 2.439 -0.664 1.00 0.00 C ATOM 1456 O GLU A 96 12.398 3.410 -1.098 1.00 0.00 O ATOM 1457 CB GLU A 96 12.816 0.614 0.697 1.00 0.00 C ATOM 1458 CG GLU A 96 13.689 0.379 1.918 1.00 0.00 C ATOM 1459 CD GLU A 96 14.827 -0.586 1.646 1.00 0.00 C ATOM 1460 OE1 GLU A 96 15.824 -0.167 1.021 1.00 0.00 O ATOM 1461 OE2 GLU A 96 14.719 -1.760 2.058 1.00 0.00 O ATOM 0 H GLU A 96 10.715 0.859 1.993 1.00 0.00 H new ATOM 0 HA GLU A 96 12.607 2.668 1.294 1.00 0.00 H new ATOM 0 HB2 GLU A 96 12.119 -0.217 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 96 13.444 0.615 -0.194 1.00 0.00 H new ATOM 0 HG2 GLU A 96 14.098 1.331 2.256 1.00 0.00 H new ATOM 0 HG3 GLU A 96 13.074 -0.010 2.730 1.00 0.00 H new ATOM 1468 N GLN A 97 10.870 1.781 -1.376 1.00 0.00 N ATOM 1469 CA GLN A 97 10.542 2.173 -2.742 1.00 0.00 C ATOM 1470 C GLN A 97 9.865 3.539 -2.769 1.00 0.00 C ATOM 1471 O GLN A 97 10.186 4.385 -3.603 1.00 0.00 O ATOM 1472 CB GLN A 97 9.632 1.127 -3.390 1.00 0.00 C ATOM 1473 CG GLN A 97 10.373 -0.114 -3.863 1.00 0.00 C ATOM 1474 CD GLN A 97 11.238 0.152 -5.079 1.00 0.00 C ATOM 1475 OE1 GLN A 97 11.696 1.274 -5.297 1.00 0.00 O ATOM 1476 NE2 GLN A 97 11.469 -0.883 -5.879 1.00 0.00 N ATOM 0 H GLN A 97 10.348 0.975 -1.031 1.00 0.00 H new ATOM 0 HA GLN A 97 11.471 2.237 -3.308 1.00 0.00 H new ATOM 0 HB2 GLN A 97 8.865 0.831 -2.674 1.00 0.00 H new ATOM 0 HB3 GLN A 97 9.119 1.579 -4.239 1.00 0.00 H new ATOM 0 HG2 GLN A 97 10.997 -0.491 -3.053 1.00 0.00 H new ATOM 0 HG3 GLN A 97 9.651 -0.896 -4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 97 11.070 -1.796 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 97 12.046 -0.765 -6.712 1.00 0.00 H new ATOM 1485 N ALA A 98 8.926 3.747 -1.852 1.00 0.00 N ATOM 1486 CA ALA A 98 8.205 5.011 -1.770 1.00 0.00 C ATOM 1487 C ALA A 98 9.149 6.195 -1.953 1.00 0.00 C ATOM 1488 O ALA A 98 8.905 7.072 -2.781 1.00 0.00 O ATOM 1489 CB ALA A 98 7.475 5.117 -0.439 1.00 0.00 C ATOM 0 H ALA A 98 8.647 3.056 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 98 7.473 5.036 -2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 98 6.941 6.066 -0.392 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.764 4.296 -0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 98 8.196 5.065 0.377 1.00 0.00 H new ATOM 1495 N GLU A 99 10.226 6.212 -1.174 1.00 0.00 N ATOM 1496 CA GLU A 99 11.206 7.290 -1.251 1.00 0.00 C ATOM 1497 C GLU A 99 11.452 7.699 -2.700 1.00 0.00 C ATOM 1498 O GLU A 99 11.278 8.861 -3.066 1.00 0.00 O ATOM 1499 CB GLU A 99 12.522 6.860 -0.600 1.00 0.00 C ATOM 1500 CG GLU A 99 12.600 7.179 0.884 1.00 0.00 C ATOM 1501 CD GLU A 99 14.027 7.235 1.394 1.00 0.00 C ATOM 1502 OE1 GLU A 99 14.813 6.325 1.057 1.00 0.00 O ATOM 1503 OE2 GLU A 99 14.358 8.188 2.130 1.00 0.00 O ATOM 0 H GLU A 99 10.442 5.493 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 99 10.806 8.149 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 99 12.653 5.787 -0.740 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.349 7.352 -1.113 1.00 0.00 H new ATOM 0 HG2 GLU A 99 12.113 8.136 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 99 12.047 6.424 1.444 1.00 0.00 H new ATOM 1510 N SER A 100 11.859 6.735 -3.520 1.00 0.00 N ATOM 1511 CA SER A 100 12.135 6.995 -4.928 1.00 0.00 C ATOM 1512 C SER A 100 10.908 7.578 -5.623 1.00 0.00 C ATOM 1513 O SER A 100 11.027 8.358 -6.568 1.00 0.00 O ATOM 1514 CB SER A 100 12.569 5.708 -5.631 1.00 0.00 C ATOM 1515 OG SER A 100 12.788 5.930 -7.013 1.00 0.00 O ATOM 0 H SER A 100 12.005 5.767 -3.233 1.00 0.00 H new ATOM 0 HA SER A 100 12.945 7.723 -4.986 1.00 0.00 H new ATOM 0 HB2 SER A 100 13.482 5.329 -5.171 1.00 0.00 H new ATOM 0 HB3 SER A 100 11.804 4.942 -5.499 1.00 0.00 H new ATOM 0 HG SER A 100 13.066 5.092 -7.439 1.00 0.00 H new ATOM 1521 N LEU A 101 9.728 7.194 -5.147 1.00 0.00 N ATOM 1522 CA LEU A 101 8.477 7.677 -5.721 1.00 0.00 C ATOM 1523 C LEU A 101 7.929 8.853 -4.919 1.00 0.00 C ATOM 1524 O LEU A 101 6.715 9.010 -4.777 1.00 0.00 O ATOM 1525 CB LEU A 101 7.445 6.550 -5.766 1.00 0.00 C ATOM 1526 CG LEU A 101 7.530 5.609 -6.968 1.00 0.00 C ATOM 1527 CD1 LEU A 101 6.895 4.266 -6.640 1.00 0.00 C ATOM 1528 CD2 LEU A 101 6.863 6.235 -8.184 1.00 0.00 C ATOM 0 H LEU A 101 9.612 6.550 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 101 8.679 8.016 -6.737 1.00 0.00 H new ATOM 0 HB2 LEU A 101 7.545 5.956 -4.857 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.450 6.995 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 101 8.582 5.443 -7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 101 6.965 3.609 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 101 7.418 3.812 -5.798 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.847 4.413 -6.380 1.00 0.00 H new ATOM 0 HD21 LEU A 101 6.933 5.551 -9.030 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.814 6.432 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 101 7.363 7.171 -8.432 1.00 0.00 H new ATOM 1540 N LEU A 102 8.830 9.680 -4.399 1.00 0.00 N ATOM 1541 CA LEU A 102 8.437 10.844 -3.613 1.00 0.00 C ATOM 1542 C LEU A 102 7.781 11.901 -4.497 1.00 0.00 C ATOM 1543 O LEU A 102 7.692 11.739 -5.714 1.00 0.00 O ATOM 1544 CB LEU A 102 9.654 11.440 -2.904 1.00 0.00 C ATOM 1545 CG LEU A 102 9.950 10.893 -1.507 1.00 0.00 C ATOM 1546 CD1 LEU A 102 11.294 11.401 -1.009 1.00 0.00 C ATOM 1547 CD2 LEU A 102 8.841 11.275 -0.538 1.00 0.00 C ATOM 0 H LEU A 102 9.838 9.566 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 102 7.712 10.520 -2.866 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.531 11.276 -3.530 1.00 0.00 H new ATOM 0 HB3 LEU A 102 9.514 12.518 -2.828 1.00 0.00 H new ATOM 0 HG LEU A 102 9.995 9.805 -1.566 1.00 0.00 H new ATOM 0 HD11 LEU A 102 11.488 11.002 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 102 12.081 11.076 -1.690 1.00 0.00 H new ATOM 0 HD13 LEU A 102 11.278 12.490 -0.966 1.00 0.00 H new ATOM 0 HD21 LEU A 102 9.069 10.877 0.451 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.764 12.361 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 102 7.895 10.861 -0.886 1.00 0.00 H new ATOM 1559 N SER A 103 7.326 12.984 -3.876 1.00 0.00 N ATOM 1560 CA SER A 103 6.677 14.068 -4.605 1.00 0.00 C ATOM 1561 C SER A 103 5.828 13.521 -5.748 1.00 0.00 C ATOM 1562 O SER A 103 5.697 14.154 -6.795 1.00 0.00 O ATOM 1563 CB SER A 103 7.723 15.041 -5.152 1.00 0.00 C ATOM 1564 OG SER A 103 8.350 15.758 -4.103 1.00 0.00 O ATOM 0 H SER A 103 7.395 13.135 -2.870 1.00 0.00 H new ATOM 0 HA SER A 103 6.024 14.599 -3.912 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.473 14.491 -5.720 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.249 15.739 -5.842 1.00 0.00 H new ATOM 0 HG SER A 103 9.015 16.372 -4.478 1.00 0.00 H new ATOM 1570 N GLU A 104 5.254 12.340 -5.539 1.00 0.00 N ATOM 1571 CA GLU A 104 4.419 11.707 -6.552 1.00 0.00 C ATOM 1572 C GLU A 104 3.394 10.777 -5.909 1.00 0.00 C ATOM 1573 O GLU A 104 3.532 10.360 -4.759 1.00 0.00 O ATOM 1574 CB GLU A 104 5.284 10.924 -7.542 1.00 0.00 C ATOM 1575 CG GLU A 104 5.736 11.745 -8.738 1.00 0.00 C ATOM 1576 CD GLU A 104 7.058 12.447 -8.497 1.00 0.00 C ATOM 1577 OE1 GLU A 104 8.029 11.764 -8.107 1.00 0.00 O ATOM 1578 OE2 GLU A 104 7.123 13.678 -8.698 1.00 0.00 O ATOM 0 H GLU A 104 5.352 11.803 -4.677 1.00 0.00 H new ATOM 0 HA GLU A 104 3.886 12.492 -7.088 1.00 0.00 H new ATOM 0 HB2 GLU A 104 6.162 10.542 -7.021 1.00 0.00 H new ATOM 0 HB3 GLU A 104 4.723 10.059 -7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 104 5.828 11.094 -9.607 1.00 0.00 H new ATOM 0 HG3 GLU A 104 4.973 12.487 -8.974 1.00 0.00 H new ATOM 1585 N PRO A 105 2.339 10.444 -6.668 1.00 0.00 N ATOM 1586 CA PRO A 105 1.270 9.561 -6.194 1.00 0.00 C ATOM 1587 C PRO A 105 1.737 8.118 -6.038 1.00 0.00 C ATOM 1588 O PRO A 105 1.704 7.338 -6.990 1.00 0.00 O ATOM 1589 CB PRO A 105 0.211 9.663 -7.295 1.00 0.00 C ATOM 1590 CG PRO A 105 0.971 10.042 -8.518 1.00 0.00 C ATOM 1591 CD PRO A 105 2.110 10.904 -8.048 1.00 0.00 C ATOM 0 HA PRO A 105 0.909 9.852 -5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -0.311 8.716 -7.431 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -0.544 10.411 -7.050 1.00 0.00 H new ATOM 0 HG2 PRO A 105 1.340 9.158 -9.038 1.00 0.00 H new ATOM 0 HG3 PRO A 105 0.336 10.583 -9.220 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.997 10.772 -8.668 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.853 11.963 -8.081 1.00 0.00 H new ATOM 1599 N MET A 106 2.171 7.768 -4.831 1.00 0.00 N ATOM 1600 CA MET A 106 2.643 6.418 -4.551 1.00 0.00 C ATOM 1601 C MET A 106 1.516 5.551 -4.000 1.00 0.00 C ATOM 1602 O MET A 106 1.372 4.388 -4.377 1.00 0.00 O ATOM 1603 CB MET A 106 3.805 6.457 -3.556 1.00 0.00 C ATOM 1604 CG MET A 106 3.441 7.089 -2.222 1.00 0.00 C ATOM 1605 SD MET A 106 4.882 7.389 -1.180 1.00 0.00 S ATOM 1606 CE MET A 106 5.476 8.935 -1.862 1.00 0.00 C ATOM 0 H MET A 106 2.205 8.401 -4.032 1.00 0.00 H new ATOM 0 HA MET A 106 2.990 5.980 -5.487 1.00 0.00 H new ATOM 0 HB2 MET A 106 4.159 5.441 -3.383 1.00 0.00 H new ATOM 0 HB3 MET A 106 4.633 7.012 -3.998 1.00 0.00 H new ATOM 0 HG2 MET A 106 2.924 8.032 -2.400 1.00 0.00 H new ATOM 0 HG3 MET A 106 2.745 6.438 -1.694 1.00 0.00 H new ATOM 0 HE1 MET A 106 6.491 8.802 -2.236 1.00 0.00 H new ATOM 0 HE2 MET A 106 4.826 9.245 -2.680 1.00 0.00 H new ATOM 0 HE3 MET A 106 5.473 9.700 -1.086 1.00 0.00 H new ATOM 1616 N VAL A 107 0.718 6.124 -3.105 1.00 0.00 N ATOM 1617 CA VAL A 107 -0.398 5.404 -2.502 1.00 0.00 C ATOM 1618 C VAL A 107 -1.016 4.423 -3.491 1.00 0.00 C ATOM 1619 O VAL A 107 -1.385 3.306 -3.126 1.00 0.00 O ATOM 1620 CB VAL A 107 -1.489 6.372 -2.006 1.00 0.00 C ATOM 1621 CG1 VAL A 107 -2.709 5.601 -1.527 1.00 0.00 C ATOM 1622 CG2 VAL A 107 -0.945 7.266 -0.902 1.00 0.00 C ATOM 0 H VAL A 107 0.823 7.085 -2.781 1.00 0.00 H new ATOM 0 HA VAL A 107 0.003 4.854 -1.651 1.00 0.00 H new ATOM 0 HB VAL A 107 -1.794 7.006 -2.838 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -3.469 6.301 -1.180 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -3.110 5.008 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -2.424 4.941 -0.708 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -1.729 7.944 -0.563 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -0.611 6.650 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.105 7.845 -1.284 1.00 0.00 H new ATOM 1632 N HIS A 108 -1.127 4.846 -4.747 1.00 0.00 N ATOM 1633 CA HIS A 108 -1.701 4.004 -5.790 1.00 0.00 C ATOM 1634 C HIS A 108 -0.657 3.037 -6.342 1.00 0.00 C ATOM 1635 O HIS A 108 -0.724 1.833 -6.100 1.00 0.00 O ATOM 1636 CB HIS A 108 -2.262 4.867 -6.920 1.00 0.00 C ATOM 1637 CG HIS A 108 -2.976 4.080 -7.976 1.00 0.00 C ATOM 1638 ND1 HIS A 108 -2.953 4.420 -9.313 1.00 0.00 N ATOM 1639 CD2 HIS A 108 -3.734 2.962 -7.887 1.00 0.00 C ATOM 1640 CE1 HIS A 108 -3.667 3.547 -9.999 1.00 0.00 C ATOM 1641 NE2 HIS A 108 -4.152 2.651 -9.158 1.00 0.00 N ATOM 0 H HIS A 108 -0.827 5.767 -5.066 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.512 3.424 -5.350 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -2.949 5.601 -6.499 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -1.446 5.422 -7.382 1.00 0.00 H new ATOM 0 HD1 HIS A 108 -2.461 5.221 -9.709 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -3.967 2.416 -6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.827 3.563 -11.067 1.00 0.00 H new ATOM 1650 N GLU A 109 0.305 3.574 -7.086 1.00 0.00 N ATOM 1651 CA GLU A 109 1.361 2.758 -7.674 1.00 0.00 C ATOM 1652 C GLU A 109 1.775 1.639 -6.724 1.00 0.00 C ATOM 1653 O GLU A 109 1.791 0.465 -7.098 1.00 0.00 O ATOM 1654 CB GLU A 109 2.574 3.625 -8.019 1.00 0.00 C ATOM 1655 CG GLU A 109 2.409 4.419 -9.304 1.00 0.00 C ATOM 1656 CD GLU A 109 3.737 4.795 -9.931 1.00 0.00 C ATOM 1657 OE1 GLU A 109 4.664 3.959 -9.902 1.00 0.00 O ATOM 1658 OE2 GLU A 109 3.849 5.925 -10.452 1.00 0.00 O ATOM 0 H GLU A 109 0.375 4.570 -7.296 1.00 0.00 H new ATOM 0 HA GLU A 109 0.973 2.310 -8.589 1.00 0.00 H new ATOM 0 HB2 GLU A 109 2.762 4.315 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.453 2.987 -8.107 1.00 0.00 H new ATOM 0 HG2 GLU A 109 1.828 3.834 -10.016 1.00 0.00 H new ATOM 0 HG3 GLU A 109 1.840 5.325 -9.096 1.00 0.00 H new ATOM 1665 N LEU A 110 2.111 2.009 -5.493 1.00 0.00 N ATOM 1666 CA LEU A 110 2.527 1.037 -4.488 1.00 0.00 C ATOM 1667 C LEU A 110 1.610 -0.181 -4.497 1.00 0.00 C ATOM 1668 O LEU A 110 2.071 -1.317 -4.611 1.00 0.00 O ATOM 1669 CB LEU A 110 2.528 1.679 -3.099 1.00 0.00 C ATOM 1670 CG LEU A 110 3.599 2.742 -2.852 1.00 0.00 C ATOM 1671 CD1 LEU A 110 3.286 3.532 -1.591 1.00 0.00 C ATOM 1672 CD2 LEU A 110 4.975 2.099 -2.752 1.00 0.00 C ATOM 0 H LEU A 110 2.103 2.975 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 110 3.538 0.710 -4.731 1.00 0.00 H new ATOM 0 HB2 LEU A 110 1.551 2.130 -2.929 1.00 0.00 H new ATOM 0 HB3 LEU A 110 2.649 0.890 -2.356 1.00 0.00 H new ATOM 0 HG LEU A 110 3.602 3.431 -3.697 1.00 0.00 H new ATOM 0 HD11 LEU A 110 4.059 4.284 -1.431 1.00 0.00 H new ATOM 0 HD12 LEU A 110 2.319 4.023 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 110 3.255 2.856 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 110 5.725 2.870 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 110 4.985 1.388 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 110 5.202 1.578 -3.682 1.00 0.00 H new ATOM 1684 N VAL A 111 0.309 0.063 -4.377 1.00 0.00 N ATOM 1685 CA VAL A 111 -0.674 -1.014 -4.374 1.00 0.00 C ATOM 1686 C VAL A 111 -0.496 -1.924 -5.585 1.00 0.00 C ATOM 1687 O VAL A 111 -0.181 -3.107 -5.446 1.00 0.00 O ATOM 1688 CB VAL A 111 -2.112 -0.462 -4.368 1.00 0.00 C ATOM 1689 CG1 VAL A 111 -3.121 -1.599 -4.316 1.00 0.00 C ATOM 1690 CG2 VAL A 111 -2.311 0.492 -3.201 1.00 0.00 C ATOM 0 H VAL A 111 -0.089 0.997 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.510 -1.589 -3.463 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.273 0.092 -5.293 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.131 -1.189 -4.312 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.992 -2.240 -5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -2.964 -2.184 -3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.332 0.872 -3.212 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -2.131 -0.036 -2.265 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.613 1.324 -3.288 1.00 0.00 H new ATOM 1700 N LEU A 112 -0.698 -1.365 -6.773 1.00 0.00 N ATOM 1701 CA LEU A 112 -0.559 -2.125 -8.010 1.00 0.00 C ATOM 1702 C LEU A 112 0.834 -2.736 -8.120 1.00 0.00 C ATOM 1703 O LEU A 112 1.033 -3.731 -8.817 1.00 0.00 O ATOM 1704 CB LEU A 112 -0.831 -1.227 -9.217 1.00 0.00 C ATOM 1705 CG LEU A 112 -2.255 -0.684 -9.343 1.00 0.00 C ATOM 1706 CD1 LEU A 112 -2.289 0.513 -10.280 1.00 0.00 C ATOM 1707 CD2 LEU A 112 -3.199 -1.773 -9.831 1.00 0.00 C ATOM 0 H LEU A 112 -0.959 -0.388 -6.906 1.00 0.00 H new ATOM 0 HA LEU A 112 -1.290 -2.933 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -0.144 -0.382 -9.178 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -0.596 -1.788 -10.122 1.00 0.00 H new ATOM 0 HG LEU A 112 -2.588 -0.357 -8.358 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.310 0.886 -10.357 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -1.644 1.300 -9.889 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -1.937 0.213 -11.267 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.208 -1.369 -9.915 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -2.869 -2.130 -10.806 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -3.197 -2.601 -9.122 1.00 0.00 H new ATOM 1719 N TRP A 113 1.794 -2.136 -7.425 1.00 0.00 N ATOM 1720 CA TRP A 113 3.169 -2.623 -7.443 1.00 0.00 C ATOM 1721 C TRP A 113 3.324 -3.849 -6.551 1.00 0.00 C ATOM 1722 O TRP A 113 4.020 -4.802 -6.905 1.00 0.00 O ATOM 1723 CB TRP A 113 4.128 -1.521 -6.989 1.00 0.00 C ATOM 1724 CG TRP A 113 5.540 -1.994 -6.821 1.00 0.00 C ATOM 1725 CD1 TRP A 113 6.470 -2.163 -7.807 1.00 0.00 C ATOM 1726 CD2 TRP A 113 6.181 -2.362 -5.595 1.00 0.00 C ATOM 1727 NE1 TRP A 113 7.651 -2.613 -7.267 1.00 0.00 N ATOM 1728 CE2 TRP A 113 7.500 -2.742 -5.912 1.00 0.00 C ATOM 1729 CE3 TRP A 113 5.770 -2.405 -4.260 1.00 0.00 C ATOM 1730 CZ2 TRP A 113 8.407 -3.161 -4.942 1.00 0.00 C ATOM 1731 CZ3 TRP A 113 6.671 -2.821 -3.299 1.00 0.00 C ATOM 1732 CH2 TRP A 113 7.977 -3.193 -3.643 1.00 0.00 C ATOM 0 H TRP A 113 1.646 -1.312 -6.842 1.00 0.00 H new ATOM 0 HA TRP A 113 3.414 -2.909 -8.466 1.00 0.00 H new ATOM 0 HB2 TRP A 113 4.108 -0.710 -7.717 1.00 0.00 H new ATOM 0 HB3 TRP A 113 3.775 -1.109 -6.043 1.00 0.00 H new ATOM 0 HD1 TRP A 113 6.302 -1.971 -8.856 1.00 0.00 H new ATOM 0 HE1 TRP A 113 8.502 -2.818 -7.791 1.00 0.00 H new ATOM 0 HE3 TRP A 113 4.766 -2.118 -3.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 113 9.414 -3.450 -5.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 113 6.363 -2.860 -2.265 1.00 0.00 H new ATOM 0 HH2 TRP A 113 8.658 -3.511 -2.868 1.00 0.00 H new ATOM 1743 N ILE A 114 2.673 -3.819 -5.393 1.00 0.00 N ATOM 1744 CA ILE A 114 2.738 -4.930 -4.451 1.00 0.00 C ATOM 1745 C ILE A 114 1.810 -6.064 -4.873 1.00 0.00 C ATOM 1746 O ILE A 114 1.981 -7.207 -4.452 1.00 0.00 O ATOM 1747 CB ILE A 114 2.367 -4.481 -3.025 1.00 0.00 C ATOM 1748 CG1 ILE A 114 2.450 -5.664 -2.058 1.00 0.00 C ATOM 1749 CG2 ILE A 114 0.973 -3.872 -3.008 1.00 0.00 C ATOM 1750 CD1 ILE A 114 3.834 -6.264 -1.954 1.00 0.00 C ATOM 0 H ILE A 114 2.095 -3.038 -5.084 1.00 0.00 H new ATOM 0 HA ILE A 114 3.768 -5.287 -4.454 1.00 0.00 H new ATOM 0 HB ILE A 114 3.078 -3.721 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 114 2.129 -5.337 -1.069 1.00 0.00 H new ATOM 0 HG13 ILE A 114 1.752 -6.436 -2.381 1.00 0.00 H new ATOM 0 HG21 ILE A 114 0.725 -3.559 -1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.946 -3.007 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.248 -4.612 -3.347 1.00 0.00 H new ATOM 0 HD11 ILE A 114 3.818 -7.097 -1.251 1.00 0.00 H new ATOM 0 HD12 ILE A 114 4.150 -6.622 -2.934 1.00 0.00 H new ATOM 0 HD13 ILE A 114 4.534 -5.506 -1.602 1.00 0.00 H new ATOM 1762 N GLN A 115 0.828 -5.738 -5.708 1.00 0.00 N ATOM 1763 CA GLN A 115 -0.127 -6.730 -6.188 1.00 0.00 C ATOM 1764 C GLN A 115 0.485 -7.583 -7.295 1.00 0.00 C ATOM 1765 O GLN A 115 0.060 -8.715 -7.524 1.00 0.00 O ATOM 1766 CB GLN A 115 -1.395 -6.043 -6.698 1.00 0.00 C ATOM 1767 CG GLN A 115 -2.275 -5.491 -5.589 1.00 0.00 C ATOM 1768 CD GLN A 115 -2.255 -6.353 -4.343 1.00 0.00 C ATOM 1769 OE1 GLN A 115 -1.328 -6.277 -3.536 1.00 0.00 O ATOM 1770 NE2 GLN A 115 -3.280 -7.181 -4.179 1.00 0.00 N ATOM 0 H GLN A 115 0.673 -4.795 -6.066 1.00 0.00 H new ATOM 0 HA GLN A 115 -0.387 -7.382 -5.354 1.00 0.00 H new ATOM 0 HB2 GLN A 115 -1.114 -5.229 -7.366 1.00 0.00 H new ATOM 0 HB3 GLN A 115 -1.972 -6.755 -7.288 1.00 0.00 H new ATOM 0 HG2 GLN A 115 -1.943 -4.484 -5.335 1.00 0.00 H new ATOM 0 HG3 GLN A 115 -3.300 -5.407 -5.951 1.00 0.00 H new ATOM 0 HE21 GLN A 115 -4.027 -7.212 -4.873 1.00 0.00 H new ATOM 0 HE22 GLN A 115 -3.320 -7.786 -3.359 1.00 0.00 H new ATOM 1779 N GLN A 116 1.483 -7.031 -7.977 1.00 0.00 N ATOM 1780 CA GLN A 116 2.151 -7.742 -9.061 1.00 0.00 C ATOM 1781 C GLN A 116 3.522 -8.242 -8.620 1.00 0.00 C ATOM 1782 O GLN A 116 3.889 -9.387 -8.879 1.00 0.00 O ATOM 1783 CB GLN A 116 2.295 -6.832 -10.283 1.00 0.00 C ATOM 1784 CG GLN A 116 1.045 -6.770 -11.146 1.00 0.00 C ATOM 1785 CD GLN A 116 1.079 -5.627 -12.141 1.00 0.00 C ATOM 1786 OE1 GLN A 116 1.315 -4.475 -11.773 1.00 0.00 O ATOM 1787 NE2 GLN A 116 0.845 -5.939 -13.410 1.00 0.00 N ATOM 0 H GLN A 116 1.847 -6.095 -7.799 1.00 0.00 H new ATOM 0 HA GLN A 116 1.539 -8.604 -9.328 1.00 0.00 H new ATOM 0 HB2 GLN A 116 2.546 -5.825 -9.948 1.00 0.00 H new ATOM 0 HB3 GLN A 116 3.129 -7.183 -10.891 1.00 0.00 H new ATOM 0 HG2 GLN A 116 0.932 -7.711 -11.684 1.00 0.00 H new ATOM 0 HG3 GLN A 116 0.170 -6.662 -10.505 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.654 -6.907 -13.670 1.00 0.00 H new ATOM 0 HE22 GLN A 116 0.856 -5.211 -14.125 1.00 0.00 H new ATOM 1796 N ASN A 117 4.276 -7.374 -7.953 1.00 0.00 N ATOM 1797 CA ASN A 117 5.609 -7.728 -7.476 1.00 0.00 C ATOM 1798 C ASN A 117 5.544 -8.329 -6.075 1.00 0.00 C ATOM 1799 O ASN A 117 6.456 -8.147 -5.267 1.00 0.00 O ATOM 1800 CB ASN A 117 6.516 -6.496 -7.474 1.00 0.00 C ATOM 1801 CG ASN A 117 6.796 -5.982 -8.872 1.00 0.00 C ATOM 1802 OD1 ASN A 117 7.517 -6.613 -9.645 1.00 0.00 O ATOM 1803 ND2 ASN A 117 6.226 -4.829 -9.204 1.00 0.00 N ATOM 0 H ASN A 117 3.987 -6.421 -7.731 1.00 0.00 H new ATOM 0 HA ASN A 117 6.024 -8.475 -8.153 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.049 -5.706 -6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 117 7.458 -6.743 -6.985 1.00 0.00 H new ATOM 0 HD21 ASN A 117 6.379 -4.433 -10.131 1.00 0.00 H new ATOM 0 HD22 ASN A 117 5.636 -4.340 -8.531 1.00 0.00 H new ATOM 1810 N LEU A 118 4.460 -9.044 -5.794 1.00 0.00 N ATOM 1811 CA LEU A 118 4.276 -9.673 -4.490 1.00 0.00 C ATOM 1812 C LEU A 118 5.269 -10.813 -4.290 1.00 0.00 C ATOM 1813 O LEU A 118 6.127 -10.754 -3.409 1.00 0.00 O ATOM 1814 CB LEU A 118 2.845 -10.197 -4.353 1.00 0.00 C ATOM 1815 CG LEU A 118 2.451 -10.718 -2.970 1.00 0.00 C ATOM 1816 CD1 LEU A 118 2.068 -9.565 -2.055 1.00 0.00 C ATOM 1817 CD2 LEU A 118 1.307 -11.715 -3.082 1.00 0.00 C ATOM 0 H LEU A 118 3.696 -9.203 -6.451 1.00 0.00 H new ATOM 0 HA LEU A 118 4.456 -8.921 -3.722 1.00 0.00 H new ATOM 0 HB2 LEU A 118 2.158 -9.396 -4.627 1.00 0.00 H new ATOM 0 HB3 LEU A 118 2.703 -11.000 -5.076 1.00 0.00 H new ATOM 0 HG LEU A 118 3.311 -11.229 -2.536 1.00 0.00 H new ATOM 0 HD11 LEU A 118 1.791 -9.955 -1.075 1.00 0.00 H new ATOM 0 HD12 LEU A 118 2.915 -8.887 -1.949 1.00 0.00 H new ATOM 0 HD13 LEU A 118 1.223 -9.026 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 118 1.040 -12.075 -2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 118 0.444 -11.229 -3.536 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.617 -12.556 -3.702 1.00 0.00 H new ATOM 1829 N ARG A 119 5.148 -11.848 -5.114 1.00 0.00 N ATOM 1830 CA ARG A 119 6.036 -13.001 -5.028 1.00 0.00 C ATOM 1831 C ARG A 119 7.456 -12.569 -4.675 1.00 0.00 C ATOM 1832 O ARG A 119 7.926 -12.794 -3.560 1.00 0.00 O ATOM 1833 CB ARG A 119 6.039 -13.769 -6.351 1.00 0.00 C ATOM 1834 CG ARG A 119 6.741 -15.115 -6.272 1.00 0.00 C ATOM 1835 CD ARG A 119 8.253 -14.956 -6.289 1.00 0.00 C ATOM 1836 NE ARG A 119 8.932 -16.211 -6.603 1.00 0.00 N ATOM 1837 CZ ARG A 119 9.088 -16.673 -7.838 1.00 0.00 C ATOM 1838 NH1 ARG A 119 8.617 -15.988 -8.871 1.00 0.00 N ATOM 1839 NH2 ARG A 119 9.718 -17.823 -8.043 1.00 0.00 N ATOM 0 H ARG A 119 4.444 -11.912 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 119 5.667 -13.654 -4.237 1.00 0.00 H new ATOM 0 HB2 ARG A 119 5.009 -13.924 -6.674 1.00 0.00 H new ATOM 0 HB3 ARG A 119 6.524 -13.160 -7.114 1.00 0.00 H new ATOM 0 HG2 ARG A 119 6.439 -15.631 -5.361 1.00 0.00 H new ATOM 0 HG3 ARG A 119 6.430 -15.739 -7.110 1.00 0.00 H new ATOM 0 HD2 ARG A 119 8.530 -14.200 -7.024 1.00 0.00 H new ATOM 0 HD3 ARG A 119 8.590 -14.594 -5.318 1.00 0.00 H new ATOM 0 HE ARG A 119 9.307 -16.763 -5.831 1.00 0.00 H new ATOM 0 HH11 ARG A 119 8.133 -15.103 -8.718 1.00 0.00 H new ATOM 0 HH12 ARG A 119 8.739 -16.346 -9.818 1.00 0.00 H new ATOM 0 HH21 ARG A 119 10.083 -18.353 -7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 119 9.837 -18.177 -8.992 1.00 0.00 H new ATOM 1853 N HIS A 120 8.135 -11.947 -5.634 1.00 0.00 N ATOM 1854 CA HIS A 120 9.502 -11.483 -5.425 1.00 0.00 C ATOM 1855 C HIS A 120 9.699 -11.002 -3.990 1.00 0.00 C ATOM 1856 O HIS A 120 10.405 -11.635 -3.205 1.00 0.00 O ATOM 1857 CB HIS A 120 9.836 -10.356 -6.403 1.00 0.00 C ATOM 1858 CG HIS A 120 11.306 -10.130 -6.577 1.00 0.00 C ATOM 1859 ND1 HIS A 120 12.124 -10.996 -7.272 1.00 0.00 N ATOM 1860 CD2 HIS A 120 12.105 -9.127 -6.144 1.00 0.00 C ATOM 1861 CE1 HIS A 120 13.362 -10.537 -7.257 1.00 0.00 C ATOM 1862 NE2 HIS A 120 13.378 -9.404 -6.579 1.00 0.00 N ATOM 0 H HIS A 120 7.761 -11.753 -6.563 1.00 0.00 H new ATOM 0 HA HIS A 120 10.175 -12.321 -5.605 1.00 0.00 H new ATOM 0 HB2 HIS A 120 9.395 -10.585 -7.373 1.00 0.00 H new ATOM 0 HB3 HIS A 120 9.374 -9.433 -6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 120 11.799 -8.269 -5.564 1.00 0.00 H new ATOM 0 HE1 HIS A 120 14.216 -11.008 -7.720 1.00 0.00 H new ATOM 0 HE2 HIS A 120 14.202 -8.828 -6.406 1.00 0.00 H new ATOM 1871 N ILE A 121 9.072 -9.879 -3.656 1.00 0.00 N ATOM 1872 CA ILE A 121 9.178 -9.315 -2.317 1.00 0.00 C ATOM 1873 C ILE A 121 9.151 -10.409 -1.255 1.00 0.00 C ATOM 1874 O ILE A 121 9.950 -10.400 -0.318 1.00 0.00 O ATOM 1875 CB ILE A 121 8.041 -8.314 -2.035 1.00 0.00 C ATOM 1876 CG1 ILE A 121 8.118 -7.135 -3.007 1.00 0.00 C ATOM 1877 CG2 ILE A 121 8.109 -7.827 -0.596 1.00 0.00 C ATOM 1878 CD1 ILE A 121 6.945 -6.187 -2.901 1.00 0.00 C ATOM 0 H ILE A 121 8.485 -9.342 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 121 10.133 -8.791 -2.271 1.00 0.00 H new ATOM 0 HB ILE A 121 7.087 -8.820 -2.182 1.00 0.00 H new ATOM 0 HG12 ILE A 121 9.039 -6.582 -2.823 1.00 0.00 H new ATOM 0 HG13 ILE A 121 8.174 -7.518 -4.026 1.00 0.00 H new ATOM 0 HG21 ILE A 121 7.299 -7.121 -0.412 1.00 0.00 H new ATOM 0 HG22 ILE A 121 8.010 -8.676 0.080 1.00 0.00 H new ATOM 0 HG23 ILE A 121 9.066 -7.335 -0.423 1.00 0.00 H new ATOM 0 HD11 ILE A 121 7.067 -5.376 -3.619 1.00 0.00 H new ATOM 0 HD12 ILE A 121 6.022 -6.725 -3.115 1.00 0.00 H new ATOM 0 HD13 ILE A 121 6.900 -5.775 -1.893 1.00 0.00 H new ATOM 1890 N LEU A 122 8.228 -11.352 -1.409 1.00 0.00 N ATOM 1891 CA LEU A 122 8.098 -12.456 -0.465 1.00 0.00 C ATOM 1892 C LEU A 122 9.321 -13.366 -0.518 1.00 0.00 C ATOM 1893 O LEU A 122 9.734 -13.928 0.496 1.00 0.00 O ATOM 1894 CB LEU A 122 6.834 -13.264 -0.766 1.00 0.00 C ATOM 1895 CG LEU A 122 5.565 -12.822 -0.036 1.00 0.00 C ATOM 1896 CD1 LEU A 122 5.713 -13.028 1.464 1.00 0.00 C ATOM 1897 CD2 LEU A 122 5.250 -11.366 -0.347 1.00 0.00 C ATOM 0 H LEU A 122 7.559 -11.374 -2.178 1.00 0.00 H new ATOM 0 HA LEU A 122 8.024 -12.036 0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 122 6.646 -13.220 -1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 122 7.027 -14.308 -0.518 1.00 0.00 H new ATOM 0 HG LEU A 122 4.735 -13.435 -0.387 1.00 0.00 H new ATOM 0 HD11 LEU A 122 4.800 -12.708 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 122 5.890 -14.083 1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 122 6.555 -12.440 1.831 1.00 0.00 H new ATOM 0 HD21 LEU A 122 4.344 -11.069 0.181 1.00 0.00 H new ATOM 0 HD22 LEU A 122 6.080 -10.737 -0.025 1.00 0.00 H new ATOM 0 HD23 LEU A 122 5.100 -11.247 -1.420 1.00 0.00 H new ATOM 1909 N SER A 123 9.897 -13.505 -1.708 1.00 0.00 N ATOM 1910 CA SER A 123 11.073 -14.347 -1.894 1.00 0.00 C ATOM 1911 C SER A 123 12.188 -13.945 -0.933 1.00 0.00 C ATOM 1912 O SER A 123 12.773 -14.790 -0.256 1.00 0.00 O ATOM 1913 CB SER A 123 11.570 -14.254 -3.338 1.00 0.00 C ATOM 1914 OG SER A 123 10.556 -14.632 -4.252 1.00 0.00 O ATOM 0 H SER A 123 9.569 -13.046 -2.557 1.00 0.00 H new ATOM 0 HA SER A 123 10.788 -15.377 -1.681 1.00 0.00 H new ATOM 0 HB2 SER A 123 11.893 -13.235 -3.550 1.00 0.00 H new ATOM 0 HB3 SER A 123 12.440 -14.898 -3.469 1.00 0.00 H new ATOM 0 HG SER A 123 10.898 -14.562 -5.168 1.00 0.00 H new ATOM 1920 N GLN A 124 12.475 -12.648 -0.880 1.00 0.00 N ATOM 1921 CA GLN A 124 13.520 -12.133 -0.003 1.00 0.00 C ATOM 1922 C GLN A 124 14.676 -13.122 0.106 1.00 0.00 C ATOM 1923 O GLN A 124 15.098 -13.503 1.198 1.00 0.00 O ATOM 1924 CB GLN A 124 12.950 -11.840 1.386 1.00 0.00 C ATOM 1925 CG GLN A 124 12.381 -13.066 2.081 1.00 0.00 C ATOM 1926 CD GLN A 124 12.454 -12.968 3.592 1.00 0.00 C ATOM 1927 OE1 GLN A 124 12.214 -11.906 4.168 1.00 0.00 O ATOM 1928 NE2 GLN A 124 12.786 -14.076 4.242 1.00 0.00 N ATOM 0 H GLN A 124 11.999 -11.935 -1.433 1.00 0.00 H new ATOM 0 HA GLN A 124 13.899 -11.207 -0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 124 13.735 -11.411 2.009 1.00 0.00 H new ATOM 0 HB3 GLN A 124 12.167 -11.087 1.297 1.00 0.00 H new ATOM 0 HG2 GLN A 124 11.342 -13.200 1.779 1.00 0.00 H new ATOM 0 HG3 GLN A 124 12.926 -13.951 1.752 1.00 0.00 H new ATOM 0 HE21 GLN A 124 12.976 -14.934 3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 124 12.851 -14.070 5.260 1.00 0.00 H new ATOM 1937 N PRO A 125 15.201 -13.549 -1.052 1.00 0.00 N ATOM 1938 CA PRO A 125 16.315 -14.500 -1.113 1.00 0.00 C ATOM 1939 C PRO A 125 17.626 -13.888 -0.631 1.00 0.00 C ATOM 1940 O PRO A 125 18.674 -14.531 -0.674 1.00 0.00 O ATOM 1941 CB PRO A 125 16.403 -14.849 -2.601 1.00 0.00 C ATOM 1942 CG PRO A 125 15.819 -13.671 -3.301 1.00 0.00 C ATOM 1943 CD PRO A 125 14.748 -13.137 -2.391 1.00 0.00 C ATOM 0 HA PRO A 125 16.150 -15.363 -0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 125 17.435 -15.020 -2.907 1.00 0.00 H new ATOM 0 HB3 PRO A 125 15.848 -15.759 -2.828 1.00 0.00 H new ATOM 0 HG2 PRO A 125 16.580 -12.915 -3.494 1.00 0.00 H new ATOM 0 HG3 PRO A 125 15.403 -13.958 -4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 125 14.658 -12.054 -2.469 1.00 0.00 H new ATOM 0 HD3 PRO A 125 13.771 -13.556 -2.631 1.00 0.00 H new ATOM 1951 N GLU A 126 17.559 -12.642 -0.172 1.00 0.00 N ATOM 1952 CA GLU A 126 18.742 -11.944 0.318 1.00 0.00 C ATOM 1953 C GLU A 126 19.011 -12.289 1.780 1.00 0.00 C ATOM 1954 O GLU A 126 18.474 -11.655 2.689 1.00 0.00 O ATOM 1955 CB GLU A 126 18.570 -10.432 0.163 1.00 0.00 C ATOM 1956 CG GLU A 126 19.733 -9.627 0.717 1.00 0.00 C ATOM 1957 CD GLU A 126 19.531 -8.131 0.568 1.00 0.00 C ATOM 1958 OE1 GLU A 126 18.846 -7.718 -0.391 1.00 0.00 O ATOM 1959 OE2 GLU A 126 20.058 -7.374 1.410 1.00 0.00 O ATOM 0 H GLU A 126 16.699 -12.096 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 126 19.596 -12.268 -0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 126 18.446 -10.195 -0.894 1.00 0.00 H new ATOM 0 HB3 GLU A 126 17.654 -10.125 0.668 1.00 0.00 H new ATOM 0 HG2 GLU A 126 19.867 -9.868 1.771 1.00 0.00 H new ATOM 0 HG3 GLU A 126 20.649 -9.919 0.204 1.00 0.00 H new ATOM 1966 N THR A 127 19.846 -13.300 1.999 1.00 0.00 N ATOM 1967 CA THR A 127 20.186 -13.732 3.349 1.00 0.00 C ATOM 1968 C THR A 127 20.573 -12.545 4.224 1.00 0.00 C ATOM 1969 O THR A 127 20.045 -12.373 5.322 1.00 0.00 O ATOM 1970 CB THR A 127 21.344 -14.747 3.339 1.00 0.00 C ATOM 1971 OG1 THR A 127 22.443 -14.231 2.580 1.00 0.00 O ATOM 1972 CG2 THR A 127 20.894 -16.075 2.750 1.00 0.00 C ATOM 0 H THR A 127 20.299 -13.835 1.258 1.00 0.00 H new ATOM 0 HA THR A 127 19.298 -14.210 3.762 1.00 0.00 H new ATOM 0 HB THR A 127 21.661 -14.912 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 127 23.175 -14.882 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 127 21.729 -16.776 2.753 1.00 0.00 H new ATOM 0 HG22 THR A 127 20.078 -16.480 3.348 1.00 0.00 H new ATOM 0 HG23 THR A 127 20.553 -15.922 1.726 1.00 0.00 H new ATOM 1980 N GLY A 128 21.500 -11.729 3.731 1.00 0.00 N ATOM 1981 CA GLY A 128 21.941 -10.568 4.482 1.00 0.00 C ATOM 1982 C GLY A 128 23.435 -10.336 4.366 1.00 0.00 C ATOM 1983 O GLY A 128 24.220 -10.924 5.109 1.00 0.00 O ATOM 0 H GLY A 128 21.953 -11.851 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 128 21.410 -9.685 4.125 1.00 0.00 H new ATOM 0 HA3 GLY A 128 21.677 -10.696 5.532 1.00 0.00 H new TER 1987 GLY A 128