USER MOD reduce.3.24.130724 H: found=0, std=0, add=911, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 766 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 50 THR OG1 : rot 180:sc= -0.636 USER MOD Set 1.2: A 95 ASN :FLIP amide:sc= -8.4! C(o=-12!,f=-9.1!) USER MOD Set 1.3: A 96 MET CE :methyl -126:sc= -0.111 (180deg=-1.07) USER MOD Set 2.1: A 55 GLN : amide:sc= 1.11 K(o=1.1,f=-9.4!) USER MOD Set 2.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 137:sc= 0.0278 (180deg=0) USER MOD Single : A 2 SER OG : rot 64:sc= 1.23 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0651 USER MOD Single : A 5 SER OG : rot 180:sc= -0.109 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.237 K(o=-0.24,f=-1) USER MOD Single : A 22 GLN : amide:sc= -2.44! C(o=-2.4!,f=-5.6!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.2 K(o=-0.2,f=-0.77) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.981 USER MOD Single : A 39 THR OG1 : rot -176:sc= -3.13 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.9 K(o=-1.9,f=-3.8!) USER MOD Single : A 52 TYR OH : rot 80:sc= -2.02! USER MOD Single : A 53 THR OG1 : rot -179:sc= -0.127 USER MOD Single : A 56 LYS NZ :NH3+ -164:sc= 0.00151 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl -106:sc= -0.0132 (180deg=-1.91!) USER MOD Single : A 70 HIS :FLIP no HD1:sc= -0.98 F(o=-3.4!,f=-0.98) USER MOD Single : A 71 TYR OH : rot -141:sc= 0.103 USER MOD Single : A 72 HIS : no HD1:sc= -3.74! C(o=-3.7!,f=-3.5!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= -1.11 K(o=-1.1,f=-1.7) USER MOD Single : A 87 TYR OH : rot -100:sc= 0.118 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -168:sc= 0.983 USER MOD Single : A 97 CYS SG : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 99:sc= 0.613 USER MOD Single : A 104 THR OG1 : rot 157:sc= 0.0279 USER MOD Single : A 105 MET CE :methyl -109:sc= -2.38 (180deg=-5.43!) USER MOD Single : A 106 THR OG1 : rot 123:sc= 1.24 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 180:sc= 0.00158 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 120 LYS NZ :NH3+ 134:sc= -1.14 (180deg=-2.85!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.427 -22.409 33.087 1.00 0.00 N ATOM 2 CA GLY A 1 -4.611 -21.657 32.711 1.00 0.00 C ATOM 3 C GLY A 1 -4.968 -21.893 31.241 1.00 0.00 C ATOM 4 O GLY A 1 -4.082 -22.028 30.398 1.00 0.00 O ATOM 0 H1 GLY A 1 -2.805 -21.810 33.667 1.00 0.00 H new ATOM 0 H2 GLY A 1 -3.708 -23.248 33.634 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.919 -22.708 32.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -5.449 -21.951 33.344 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -4.440 -20.594 32.881 1.00 0.00 H new ATOM 8 N SER A 2 -6.265 -21.937 30.981 1.00 0.00 N ATOM 9 CA SER A 2 -6.750 -22.155 29.628 1.00 0.00 C ATOM 10 C SER A 2 -8.278 -22.218 29.623 1.00 0.00 C ATOM 11 O SER A 2 -8.878 -22.899 30.453 1.00 0.00 O ATOM 12 CB SER A 2 -6.164 -23.437 29.034 1.00 0.00 C ATOM 13 OG SER A 2 -4.941 -23.196 28.343 1.00 0.00 O ATOM 0 H SER A 2 -6.996 -21.826 31.684 1.00 0.00 H new ATOM 0 HA SER A 2 -6.426 -21.318 29.009 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.993 -24.161 29.831 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.886 -23.882 28.349 1.00 0.00 H new ATOM 0 HG SER A 2 -4.263 -22.882 28.977 1.00 0.00 H new ATOM 18 N SER A 3 -8.865 -21.497 28.678 1.00 0.00 N ATOM 19 CA SER A 3 -10.312 -21.462 28.555 1.00 0.00 C ATOM 20 C SER A 3 -10.707 -20.907 27.185 1.00 0.00 C ATOM 21 O SER A 3 -9.879 -20.326 26.485 1.00 0.00 O ATOM 22 CB SER A 3 -10.940 -20.623 29.669 1.00 0.00 C ATOM 23 OG SER A 3 -12.364 -20.693 29.654 1.00 0.00 O ATOM 0 H SER A 3 -8.365 -20.933 27.991 1.00 0.00 H new ATOM 0 HA SER A 3 -10.688 -22.481 28.650 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.570 -20.968 30.635 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.627 -19.584 29.561 1.00 0.00 H new ATOM 0 HG SER A 3 -12.726 -20.145 30.382 1.00 0.00 H new ATOM 28 N GLY A 4 -11.972 -21.104 26.844 1.00 0.00 N ATOM 29 CA GLY A 4 -12.487 -20.629 25.571 1.00 0.00 C ATOM 30 C GLY A 4 -11.893 -21.427 24.408 1.00 0.00 C ATOM 31 O GLY A 4 -10.810 -21.996 24.530 1.00 0.00 O ATOM 0 H GLY A 4 -12.656 -21.586 27.427 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.573 -20.716 25.559 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -12.250 -19.572 25.450 1.00 0.00 H new ATOM 35 N SER A 5 -12.629 -21.444 23.307 1.00 0.00 N ATOM 36 CA SER A 5 -12.190 -22.163 22.123 1.00 0.00 C ATOM 37 C SER A 5 -12.946 -21.658 20.893 1.00 0.00 C ATOM 38 O SER A 5 -12.345 -21.415 19.847 1.00 0.00 O ATOM 39 CB SER A 5 -12.390 -23.671 22.288 1.00 0.00 C ATOM 40 OG SER A 5 -13.012 -23.994 23.528 1.00 0.00 O ATOM 0 H SER A 5 -13.527 -20.971 23.210 1.00 0.00 H new ATOM 0 HA SER A 5 -11.124 -21.978 21.987 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.000 -24.048 21.467 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.425 -24.174 22.225 1.00 0.00 H new ATOM 0 HG SER A 5 -13.124 -24.965 23.595 1.00 0.00 H new ATOM 45 N SER A 6 -14.253 -21.517 21.058 1.00 0.00 N ATOM 46 CA SER A 6 -15.098 -21.045 19.974 1.00 0.00 C ATOM 47 C SER A 6 -15.045 -22.029 18.803 1.00 0.00 C ATOM 48 O SER A 6 -14.064 -22.755 18.642 1.00 0.00 O ATOM 49 CB SER A 6 -14.674 -19.649 19.513 1.00 0.00 C ATOM 50 OG SER A 6 -14.772 -18.689 20.561 1.00 0.00 O ATOM 0 H SER A 6 -14.748 -21.721 21.926 1.00 0.00 H new ATOM 0 HA SER A 6 -16.122 -20.982 20.342 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.648 -19.684 19.148 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.300 -19.338 18.676 1.00 0.00 H new ATOM 0 HG SER A 6 -14.491 -17.811 20.228 1.00 0.00 H new ATOM 55 N GLY A 7 -16.111 -22.021 18.017 1.00 0.00 N ATOM 56 CA GLY A 7 -16.198 -22.904 16.867 1.00 0.00 C ATOM 57 C GLY A 7 -17.279 -22.431 15.892 1.00 0.00 C ATOM 58 O GLY A 7 -18.292 -21.872 16.308 1.00 0.00 O ATOM 0 H GLY A 7 -16.922 -21.417 18.154 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -15.235 -22.940 16.358 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -16.421 -23.918 17.199 1.00 0.00 H new ATOM 62 N ALA A 8 -17.024 -22.670 14.614 1.00 0.00 N ATOM 63 CA ALA A 8 -17.961 -22.274 13.577 1.00 0.00 C ATOM 64 C ALA A 8 -17.963 -23.328 12.468 1.00 0.00 C ATOM 65 O ALA A 8 -16.982 -23.470 11.739 1.00 0.00 O ATOM 66 CB ALA A 8 -17.592 -20.883 13.059 1.00 0.00 C ATOM 0 H ALA A 8 -16.182 -23.133 14.273 1.00 0.00 H new ATOM 0 HA ALA A 8 -18.973 -22.214 13.977 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -18.295 -20.586 12.281 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -17.634 -20.166 13.879 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -16.583 -20.904 12.647 1.00 0.00 H new ATOM 72 N SER A 9 -19.077 -24.040 12.374 1.00 0.00 N ATOM 73 CA SER A 9 -19.219 -25.076 11.365 1.00 0.00 C ATOM 74 C SER A 9 -20.210 -24.627 10.289 1.00 0.00 C ATOM 75 O SER A 9 -21.409 -24.876 10.402 1.00 0.00 O ATOM 76 CB SER A 9 -19.678 -26.394 11.992 1.00 0.00 C ATOM 77 OG SER A 9 -18.736 -27.443 11.779 1.00 0.00 O ATOM 0 H SER A 9 -19.889 -23.920 12.980 1.00 0.00 H new ATOM 0 HA SER A 9 -18.245 -25.242 10.905 1.00 0.00 H new ATOM 0 HB2 SER A 9 -19.828 -26.253 13.062 1.00 0.00 H new ATOM 0 HB3 SER A 9 -20.641 -26.680 11.570 1.00 0.00 H new ATOM 0 HG SER A 9 -19.064 -28.267 12.196 1.00 0.00 H new ATOM 82 N ILE A 10 -19.671 -23.973 9.271 1.00 0.00 N ATOM 83 CA ILE A 10 -20.492 -23.487 8.175 1.00 0.00 C ATOM 84 C ILE A 10 -21.415 -22.379 8.688 1.00 0.00 C ATOM 85 O ILE A 10 -22.406 -22.656 9.362 1.00 0.00 O ATOM 86 CB ILE A 10 -21.234 -24.646 7.506 1.00 0.00 C ATOM 87 CG1 ILE A 10 -20.252 -25.689 6.971 1.00 0.00 C ATOM 88 CG2 ILE A 10 -22.178 -24.136 6.416 1.00 0.00 C ATOM 89 CD1 ILE A 10 -19.837 -26.668 8.072 1.00 0.00 C ATOM 0 H ILE A 10 -18.676 -23.768 9.182 1.00 0.00 H new ATOM 0 HA ILE A 10 -19.868 -23.048 7.397 1.00 0.00 H new ATOM 0 HB ILE A 10 -21.848 -25.139 8.260 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -20.710 -26.236 6.147 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -19.369 -25.191 6.571 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -22.693 -24.980 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -22.911 -23.460 6.856 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -21.604 -23.604 5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.139 -27.399 7.665 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.357 -26.121 8.884 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.719 -27.182 8.453 1.00 0.00 H new ATOM 100 N ASP A 11 -21.057 -21.150 8.349 1.00 0.00 N ATOM 101 CA ASP A 11 -21.841 -20.000 8.766 1.00 0.00 C ATOM 102 C ASP A 11 -21.366 -18.760 8.006 1.00 0.00 C ATOM 103 O ASP A 11 -20.204 -18.677 7.613 1.00 0.00 O ATOM 104 CB ASP A 11 -21.669 -19.731 10.263 1.00 0.00 C ATOM 105 CG ASP A 11 -22.975 -19.574 11.045 1.00 0.00 C ATOM 106 OD1 ASP A 11 -23.520 -20.620 11.455 1.00 0.00 O ATOM 107 OD2 ASP A 11 -23.396 -18.409 11.217 1.00 0.00 O ATOM 0 H ASP A 11 -20.234 -20.925 7.790 1.00 0.00 H new ATOM 0 HA ASP A 11 -22.889 -20.212 8.554 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.097 -20.549 10.701 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -21.076 -18.825 10.388 1.00 0.00 H new ATOM 111 N ILE A 12 -22.290 -17.829 7.821 1.00 0.00 N ATOM 112 CA ILE A 12 -21.980 -16.599 7.114 1.00 0.00 C ATOM 113 C ILE A 12 -21.037 -16.907 5.949 1.00 0.00 C ATOM 114 O ILE A 12 -19.818 -16.829 6.095 1.00 0.00 O ATOM 115 CB ILE A 12 -21.436 -15.546 8.083 1.00 0.00 C ATOM 116 CG1 ILE A 12 -22.537 -15.040 9.016 1.00 0.00 C ATOM 117 CG2 ILE A 12 -20.757 -14.404 7.326 1.00 0.00 C ATOM 118 CD1 ILE A 12 -21.955 -14.161 10.126 1.00 0.00 C ATOM 0 H ILE A 12 -23.253 -17.902 8.148 1.00 0.00 H new ATOM 0 HA ILE A 12 -22.885 -16.169 6.686 1.00 0.00 H new ATOM 0 HB ILE A 12 -20.676 -16.016 8.707 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -23.270 -14.472 8.444 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -23.063 -15.887 9.456 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -20.379 -13.670 8.038 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -19.928 -14.799 6.738 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -21.478 -13.928 6.662 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -22.759 -13.815 10.775 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -21.240 -14.740 10.711 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -21.451 -13.302 9.683 1.00 0.00 H new ATOM 129 N GLN A 13 -21.637 -17.252 4.819 1.00 0.00 N ATOM 130 CA GLN A 13 -20.866 -17.573 3.630 1.00 0.00 C ATOM 131 C GLN A 13 -21.310 -16.697 2.457 1.00 0.00 C ATOM 132 O GLN A 13 -22.421 -16.168 2.458 1.00 0.00 O ATOM 133 CB GLN A 13 -20.988 -19.058 3.283 1.00 0.00 C ATOM 134 CG GLN A 13 -19.701 -19.809 3.629 1.00 0.00 C ATOM 135 CD GLN A 13 -19.889 -21.319 3.474 1.00 0.00 C ATOM 136 OE1 GLN A 13 -20.978 -21.853 3.612 1.00 0.00 O ATOM 137 NE2 GLN A 13 -18.770 -21.976 3.182 1.00 0.00 N ATOM 0 H GLN A 13 -22.648 -17.316 4.702 1.00 0.00 H new ATOM 0 HA GLN A 13 -19.815 -17.366 3.834 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -21.826 -19.495 3.827 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -21.205 -19.170 2.221 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -18.893 -19.471 2.980 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -19.405 -19.579 4.653 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.892 -21.467 3.080 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -18.790 -22.988 3.060 1.00 0.00 H new ATOM 144 N ILE A 14 -20.420 -16.570 1.484 1.00 0.00 N ATOM 145 CA ILE A 14 -20.706 -15.767 0.307 1.00 0.00 C ATOM 146 C ILE A 14 -20.445 -16.601 -0.949 1.00 0.00 C ATOM 147 O ILE A 14 -19.298 -16.775 -1.356 1.00 0.00 O ATOM 148 CB ILE A 14 -19.920 -14.456 0.349 1.00 0.00 C ATOM 149 CG1 ILE A 14 -19.708 -13.989 1.791 1.00 0.00 C ATOM 150 CG2 ILE A 14 -20.595 -13.384 -0.508 1.00 0.00 C ATOM 151 CD1 ILE A 14 -18.855 -12.720 1.837 1.00 0.00 C ATOM 0 H ILE A 14 -19.500 -17.010 1.486 1.00 0.00 H new ATOM 0 HA ILE A 14 -21.757 -15.480 0.287 1.00 0.00 H new ATOM 0 HB ILE A 14 -18.934 -14.636 -0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -20.673 -13.800 2.261 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -19.223 -14.778 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -20.016 -12.462 -0.460 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -20.649 -13.725 -1.542 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -21.602 -13.199 -0.133 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -18.720 -12.410 2.873 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -17.882 -12.919 1.388 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -19.355 -11.925 1.283 1.00 0.00 H new ATOM 162 N ILE A 15 -21.531 -17.095 -1.528 1.00 0.00 N ATOM 163 CA ILE A 15 -21.434 -17.906 -2.730 1.00 0.00 C ATOM 164 C ILE A 15 -20.923 -17.040 -3.884 1.00 0.00 C ATOM 165 O ILE A 15 -20.587 -15.874 -3.688 1.00 0.00 O ATOM 166 CB ILE A 15 -22.769 -18.593 -3.021 1.00 0.00 C ATOM 167 CG1 ILE A 15 -23.935 -17.613 -2.871 1.00 0.00 C ATOM 168 CG2 ILE A 15 -22.948 -19.835 -2.147 1.00 0.00 C ATOM 169 CD1 ILE A 15 -25.141 -18.065 -3.696 1.00 0.00 C ATOM 0 H ILE A 15 -22.481 -16.949 -1.187 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.712 -18.710 -2.590 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.762 -18.928 -4.058 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -24.217 -17.536 -1.821 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -23.623 -16.619 -3.191 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -23.905 -20.305 -2.374 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.141 -20.540 -2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -22.925 -19.547 -1.096 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -25.955 -17.351 -3.571 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -24.863 -18.118 -4.749 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -25.466 -19.049 -3.357 1.00 0.00 H new ATOM 180 N ASP A 16 -20.880 -17.647 -5.062 1.00 0.00 N ATOM 181 CA ASP A 16 -20.416 -16.946 -6.247 1.00 0.00 C ATOM 182 C ASP A 16 -18.907 -16.712 -6.138 1.00 0.00 C ATOM 183 O ASP A 16 -18.273 -17.163 -5.185 1.00 0.00 O ATOM 184 CB ASP A 16 -21.098 -15.584 -6.385 1.00 0.00 C ATOM 185 CG ASP A 16 -22.589 -15.570 -6.046 1.00 0.00 C ATOM 186 OD1 ASP A 16 -23.374 -15.997 -6.920 1.00 0.00 O ATOM 187 OD2 ASP A 16 -22.912 -15.133 -4.920 1.00 0.00 O ATOM 0 H ASP A 16 -21.159 -18.615 -5.220 1.00 0.00 H new ATOM 0 HA ASP A 16 -20.657 -17.558 -7.116 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -20.587 -14.871 -5.738 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -20.970 -15.233 -7.409 1.00 0.00 H new ATOM 191 N ARG A 17 -18.377 -16.006 -7.126 1.00 0.00 N ATOM 192 CA ARG A 17 -16.957 -15.706 -7.153 1.00 0.00 C ATOM 193 C ARG A 17 -16.486 -15.241 -5.772 1.00 0.00 C ATOM 194 O ARG A 17 -17.302 -14.975 -4.892 1.00 0.00 O ATOM 195 CB ARG A 17 -16.642 -14.618 -8.183 1.00 0.00 C ATOM 196 CG ARG A 17 -16.031 -15.224 -9.448 1.00 0.00 C ATOM 197 CD ARG A 17 -16.733 -14.699 -10.701 1.00 0.00 C ATOM 198 NE ARG A 17 -15.757 -14.549 -11.804 1.00 0.00 N ATOM 199 CZ ARG A 17 -16.087 -14.543 -13.103 1.00 0.00 C ATOM 200 NH1 ARG A 17 -17.368 -14.680 -13.470 1.00 0.00 N ATOM 201 NH2 ARG A 17 -15.134 -14.403 -14.035 1.00 0.00 N ATOM 0 H ARG A 17 -18.907 -15.633 -7.914 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.431 -16.619 -7.433 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.554 -14.078 -8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -15.952 -13.893 -7.752 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.969 -14.984 -9.494 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.111 -16.310 -9.410 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -17.526 -15.385 -10.998 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -17.204 -13.739 -10.489 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.772 -14.444 -11.560 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.093 -14.789 -12.761 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.619 -14.675 -14.459 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.158 -14.301 -13.755 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.384 -14.398 -15.024 1.00 0.00 H new ATOM 212 N PRO A 18 -15.137 -15.157 -5.624 1.00 0.00 N ATOM 213 CA PRO A 18 -14.547 -14.729 -4.366 1.00 0.00 C ATOM 214 C PRO A 18 -14.699 -13.219 -4.175 1.00 0.00 C ATOM 215 O PRO A 18 -15.215 -12.527 -5.051 1.00 0.00 O ATOM 216 CB PRO A 18 -13.097 -15.178 -4.438 1.00 0.00 C ATOM 217 CG PRO A 18 -12.809 -15.421 -5.910 1.00 0.00 C ATOM 218 CD PRO A 18 -14.140 -15.465 -6.645 1.00 0.00 C ATOM 0 HA PRO A 18 -15.041 -15.166 -3.499 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -12.432 -14.417 -4.030 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.939 -16.085 -3.854 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.177 -14.628 -6.311 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.268 -16.358 -6.044 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -14.168 -14.739 -7.458 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.316 -16.446 -7.087 1.00 0.00 H new ATOM 223 N GLY A 19 -14.239 -12.752 -3.023 1.00 0.00 N ATOM 224 CA GLY A 19 -14.315 -11.336 -2.707 1.00 0.00 C ATOM 225 C GLY A 19 -12.930 -10.687 -2.752 1.00 0.00 C ATOM 226 O GLY A 19 -11.915 -11.374 -2.646 1.00 0.00 O ATOM 0 H GLY A 19 -13.813 -13.329 -2.298 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -14.977 -10.837 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.750 -11.204 -1.716 1.00 0.00 H new ATOM 230 N PRO A 20 -12.933 -9.338 -2.915 1.00 0.00 N ATOM 231 CA PRO A 20 -11.689 -8.589 -2.974 1.00 0.00 C ATOM 232 C PRO A 20 -11.061 -8.456 -1.586 1.00 0.00 C ATOM 233 O PRO A 20 -11.663 -8.848 -0.588 1.00 0.00 O ATOM 234 CB PRO A 20 -12.065 -7.249 -3.587 1.00 0.00 C ATOM 235 CG PRO A 20 -13.571 -7.122 -3.417 1.00 0.00 C ATOM 236 CD PRO A 20 -14.116 -8.491 -3.044 1.00 0.00 C ATOM 0 HA PRO A 20 -10.927 -9.087 -3.574 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.545 -6.431 -3.088 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -11.786 -7.209 -4.640 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -13.807 -6.393 -2.642 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.030 -6.767 -4.339 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.679 -8.452 -2.112 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -14.793 -8.870 -3.810 1.00 0.00 H new ATOM 241 N PRO A 21 -9.826 -7.885 -1.566 1.00 0.00 N ATOM 242 CA PRO A 21 -9.109 -7.695 -0.316 1.00 0.00 C ATOM 243 C PRO A 21 -9.698 -6.530 0.482 1.00 0.00 C ATOM 244 O PRO A 21 -10.120 -5.529 -0.095 1.00 0.00 O ATOM 245 CB PRO A 21 -7.663 -7.466 -0.723 1.00 0.00 C ATOM 246 CG PRO A 21 -7.700 -7.074 -2.192 1.00 0.00 C ATOM 247 CD PRO A 21 -9.082 -7.408 -2.728 1.00 0.00 C ATOM 0 HA PRO A 21 -9.190 -8.554 0.350 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.208 -6.680 -0.120 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.068 -8.367 -0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -7.492 -6.010 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -6.934 -7.612 -2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -9.557 -6.532 -3.170 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -9.031 -8.170 -3.506 1.00 0.00 H new ATOM 252 N GLN A 22 -9.708 -6.700 1.795 1.00 0.00 N ATOM 253 CA GLN A 22 -10.238 -5.675 2.679 1.00 0.00 C ATOM 254 C GLN A 22 -9.811 -4.287 2.197 1.00 0.00 C ATOM 255 O GLN A 22 -10.655 -3.437 1.914 1.00 0.00 O ATOM 256 CB GLN A 22 -9.796 -5.914 4.124 1.00 0.00 C ATOM 257 CG GLN A 22 -10.835 -6.741 4.885 1.00 0.00 C ATOM 258 CD GLN A 22 -10.600 -6.661 6.395 1.00 0.00 C ATOM 259 OE1 GLN A 22 -11.316 -5.998 7.126 1.00 0.00 O ATOM 260 NE2 GLN A 22 -9.558 -7.371 6.819 1.00 0.00 N ATOM 0 H GLN A 22 -9.358 -7.532 2.269 1.00 0.00 H new ATOM 0 HA GLN A 22 -11.326 -5.728 2.654 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.836 -6.431 4.134 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.648 -4.958 4.626 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.836 -6.380 4.649 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -10.787 -7.780 4.560 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -8.999 -7.905 6.153 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -9.318 -7.382 7.810 1.00 0.00 H new ATOM 267 N ILE A 23 -8.502 -4.100 2.118 1.00 0.00 N ATOM 268 CA ILE A 23 -7.953 -2.830 1.676 1.00 0.00 C ATOM 269 C ILE A 23 -6.616 -3.074 0.972 1.00 0.00 C ATOM 270 O ILE A 23 -6.002 -4.125 1.147 1.00 0.00 O ATOM 271 CB ILE A 23 -7.862 -1.849 2.846 1.00 0.00 C ATOM 272 CG1 ILE A 23 -8.021 -0.404 2.366 1.00 0.00 C ATOM 273 CG2 ILE A 23 -6.564 -2.051 3.631 1.00 0.00 C ATOM 274 CD1 ILE A 23 -6.662 0.288 2.249 1.00 0.00 C ATOM 0 H ILE A 23 -7.805 -4.807 2.353 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.616 -2.361 0.948 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.687 -2.055 3.528 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.524 -0.392 1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.655 0.146 3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.524 -1.341 4.457 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.531 -3.067 4.024 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.711 -1.889 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.804 1.313 1.906 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.173 0.296 3.223 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.040 -0.251 1.534 1.00 0.00 H new ATOM 285 N VAL A 24 -6.206 -2.085 0.192 1.00 0.00 N ATOM 286 CA VAL A 24 -4.953 -2.180 -0.539 1.00 0.00 C ATOM 287 C VAL A 24 -4.214 -0.843 -0.452 1.00 0.00 C ATOM 288 O VAL A 24 -4.708 0.176 -0.934 1.00 0.00 O ATOM 289 CB VAL A 24 -5.219 -2.623 -1.979 1.00 0.00 C ATOM 290 CG1 VAL A 24 -3.916 -2.716 -2.775 1.00 0.00 C ATOM 291 CG2 VAL A 24 -5.979 -3.950 -2.013 1.00 0.00 C ATOM 0 H VAL A 24 -6.718 -1.214 0.050 1.00 0.00 H new ATOM 0 HA VAL A 24 -4.308 -2.938 -0.094 1.00 0.00 H new ATOM 0 HB VAL A 24 -5.845 -1.866 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -4.134 -3.033 -3.795 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -3.431 -1.740 -2.794 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -3.253 -3.441 -2.304 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -6.155 -4.242 -3.048 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -5.390 -4.720 -1.514 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -6.934 -3.835 -1.501 1.00 0.00 H new ATOM 301 N LYS A 25 -3.045 -0.889 0.168 1.00 0.00 N ATOM 302 CA LYS A 25 -2.233 0.305 0.325 1.00 0.00 C ATOM 303 C LYS A 25 -0.823 0.033 -0.203 1.00 0.00 C ATOM 304 O LYS A 25 -0.493 -1.102 -0.546 1.00 0.00 O ATOM 305 CB LYS A 25 -2.263 0.787 1.777 1.00 0.00 C ATOM 306 CG LYS A 25 -1.885 -0.342 2.737 1.00 0.00 C ATOM 307 CD LYS A 25 -1.112 0.198 3.941 1.00 0.00 C ATOM 308 CE LYS A 25 -2.052 0.481 5.115 1.00 0.00 C ATOM 309 NZ LYS A 25 -1.442 0.037 6.388 1.00 0.00 N ATOM 0 H LYS A 25 -2.640 -1.735 0.568 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.643 1.123 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -1.573 1.621 1.901 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.259 1.158 2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.786 -0.851 3.078 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.279 -1.082 2.214 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.353 -0.524 4.244 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.589 1.112 3.661 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.272 1.548 5.163 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.001 -0.033 4.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.094 0.237 7.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.254 -0.985 6.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.549 0.547 6.541 1.00 0.00 H new ATOM 319 N ILE A 26 -0.029 1.091 -0.252 1.00 0.00 N ATOM 320 CA ILE A 26 1.338 0.980 -0.732 1.00 0.00 C ATOM 321 C ILE A 26 2.304 1.250 0.424 1.00 0.00 C ATOM 322 O ILE A 26 2.535 2.402 0.788 1.00 0.00 O ATOM 323 CB ILE A 26 1.557 1.892 -1.941 1.00 0.00 C ATOM 324 CG1 ILE A 26 0.661 1.476 -3.110 1.00 0.00 C ATOM 325 CG2 ILE A 26 3.034 1.931 -2.337 1.00 0.00 C ATOM 326 CD1 ILE A 26 -0.175 2.657 -3.606 1.00 0.00 C ATOM 0 H ILE A 26 -0.306 2.030 0.033 1.00 0.00 H new ATOM 0 HA ILE A 26 1.537 -0.032 -1.084 1.00 0.00 H new ATOM 0 HB ILE A 26 1.272 2.906 -1.661 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.275 1.092 -3.925 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.003 0.665 -2.798 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.162 2.586 -3.199 1.00 0.00 H new ATOM 0 HG22 ILE A 26 3.625 2.309 -1.502 1.00 0.00 H new ATOM 0 HG23 ILE A 26 3.369 0.926 -2.592 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -0.803 2.335 -4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.805 3.023 -2.795 1.00 0.00 H new ATOM 0 HD13 ILE A 26 0.487 3.456 -3.940 1.00 0.00 H new ATOM 337 N GLU A 27 2.843 0.168 0.967 1.00 0.00 N ATOM 338 CA GLU A 27 3.777 0.273 2.075 1.00 0.00 C ATOM 339 C GLU A 27 4.702 1.476 1.875 1.00 0.00 C ATOM 340 O GLU A 27 4.915 2.260 2.799 1.00 0.00 O ATOM 341 CB GLU A 27 4.583 -1.017 2.235 1.00 0.00 C ATOM 342 CG GLU A 27 4.375 -1.624 3.625 1.00 0.00 C ATOM 343 CD GLU A 27 5.422 -1.104 4.613 1.00 0.00 C ATOM 344 OE1 GLU A 27 6.558 -1.622 4.563 1.00 0.00 O ATOM 345 OE2 GLU A 27 5.061 -0.198 5.396 1.00 0.00 O ATOM 0 H GLU A 27 2.651 -0.786 0.660 1.00 0.00 H new ATOM 0 HA GLU A 27 3.209 0.424 2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.283 -1.735 1.472 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.642 -0.810 2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 27 3.376 -1.380 3.986 1.00 0.00 H new ATOM 0 HG3 GLU A 27 4.435 -2.711 3.564 1.00 0.00 H new ATOM 350 N ASP A 28 5.227 1.584 0.664 1.00 0.00 N ATOM 351 CA ASP A 28 6.124 2.678 0.333 1.00 0.00 C ATOM 352 C ASP A 28 6.661 2.480 -1.086 1.00 0.00 C ATOM 353 O ASP A 28 6.335 1.493 -1.745 1.00 0.00 O ATOM 354 CB ASP A 28 7.318 2.721 1.288 1.00 0.00 C ATOM 355 CG ASP A 28 7.394 3.967 2.173 1.00 0.00 C ATOM 356 OD1 ASP A 28 6.372 4.684 2.232 1.00 0.00 O ATOM 357 OD2 ASP A 28 8.471 4.173 2.771 1.00 0.00 O ATOM 0 H ASP A 28 5.049 0.932 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 28 5.563 3.609 0.415 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.283 1.840 1.929 1.00 0.00 H new ATOM 0 HB3 ASP A 28 8.235 2.653 0.703 1.00 0.00 H new ATOM 361 N VAL A 29 7.475 3.433 -1.516 1.00 0.00 N ATOM 362 CA VAL A 29 8.060 3.374 -2.845 1.00 0.00 C ATOM 363 C VAL A 29 9.450 4.014 -2.814 1.00 0.00 C ATOM 364 O VAL A 29 9.593 5.175 -2.435 1.00 0.00 O ATOM 365 CB VAL A 29 7.122 4.031 -3.858 1.00 0.00 C ATOM 366 CG1 VAL A 29 6.743 5.447 -3.419 1.00 0.00 C ATOM 367 CG2 VAL A 29 7.744 4.041 -5.257 1.00 0.00 C ATOM 0 H VAL A 29 7.743 4.250 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 29 8.186 2.339 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 29 6.209 3.437 -3.900 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.075 5.891 -4.158 1.00 0.00 H new ATOM 0 HG12 VAL A 29 6.239 5.406 -2.453 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.644 6.055 -3.333 1.00 0.00 H new ATOM 0 HG21 VAL A 29 7.056 4.514 -5.958 1.00 0.00 H new ATOM 0 HG22 VAL A 29 8.680 4.599 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.940 3.017 -5.576 1.00 0.00 H new ATOM 377 N TRP A 30 10.437 3.229 -3.217 1.00 0.00 N ATOM 378 CA TRP A 30 11.810 3.704 -3.241 1.00 0.00 C ATOM 379 C TRP A 30 12.381 3.432 -4.634 1.00 0.00 C ATOM 380 O TRP A 30 12.005 2.457 -5.283 1.00 0.00 O ATOM 381 CB TRP A 30 12.631 3.061 -2.122 1.00 0.00 C ATOM 382 CG TRP A 30 12.625 1.532 -2.145 1.00 0.00 C ATOM 383 CD1 TRP A 30 13.539 0.711 -2.683 1.00 0.00 C ATOM 384 CD2 TRP A 30 11.617 0.667 -1.582 1.00 0.00 C ATOM 385 NE1 TRP A 30 13.194 -0.613 -2.508 1.00 0.00 N ATOM 386 CE2 TRP A 30 11.987 -0.641 -1.817 1.00 0.00 C ATOM 387 CE3 TRP A 30 10.429 0.980 -0.896 1.00 0.00 C ATOM 388 CZ2 TRP A 30 11.227 -1.740 -1.400 1.00 0.00 C ATOM 389 CZ3 TRP A 30 9.681 -0.130 -0.486 1.00 0.00 C ATOM 390 CH2 TRP A 30 10.040 -1.452 -0.716 1.00 0.00 C ATOM 0 H TRP A 30 10.314 2.266 -3.530 1.00 0.00 H new ATOM 0 HA TRP A 30 11.851 4.777 -3.053 1.00 0.00 H new ATOM 0 HB2 TRP A 30 13.661 3.411 -2.194 1.00 0.00 H new ATOM 0 HB3 TRP A 30 12.245 3.401 -1.161 1.00 0.00 H new ATOM 0 HD1 TRP A 30 14.433 1.045 -3.189 1.00 0.00 H new ATOM 0 HE1 TRP A 30 13.726 -1.423 -2.827 1.00 0.00 H new ATOM 0 HE3 TRP A 30 10.119 1.996 -0.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 11.539 -2.755 -1.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 8.760 0.055 0.047 1.00 0.00 H new ATOM 0 HH2 TRP A 30 9.406 -2.254 -0.369 1.00 0.00 H new ATOM 400 N GLY A 31 13.279 4.311 -5.052 1.00 0.00 N ATOM 401 CA GLY A 31 13.906 4.178 -6.356 1.00 0.00 C ATOM 402 C GLY A 31 12.909 3.657 -7.393 1.00 0.00 C ATOM 403 O GLY A 31 11.877 4.282 -7.637 1.00 0.00 O ATOM 0 H GLY A 31 13.588 5.119 -4.511 1.00 0.00 H new ATOM 0 HA2 GLY A 31 14.297 5.144 -6.676 1.00 0.00 H new ATOM 0 HA3 GLY A 31 14.754 3.497 -6.288 1.00 0.00 H new ATOM 407 N GLU A 32 13.251 2.518 -7.976 1.00 0.00 N ATOM 408 CA GLU A 32 12.398 1.906 -8.981 1.00 0.00 C ATOM 409 C GLU A 32 11.701 0.671 -8.405 1.00 0.00 C ATOM 410 O GLU A 32 11.519 -0.325 -9.103 1.00 0.00 O ATOM 411 CB GLU A 32 13.198 1.548 -10.235 1.00 0.00 C ATOM 412 CG GLU A 32 13.873 2.787 -10.826 1.00 0.00 C ATOM 413 CD GLU A 32 14.636 2.438 -12.106 1.00 0.00 C ATOM 414 OE1 GLU A 32 15.199 1.323 -12.145 1.00 0.00 O ATOM 415 OE2 GLU A 32 14.640 3.295 -13.016 1.00 0.00 O ATOM 0 H GLU A 32 14.107 2.002 -7.772 1.00 0.00 H new ATOM 0 HA GLU A 32 11.635 2.629 -9.270 1.00 0.00 H new ATOM 0 HB2 GLU A 32 13.953 0.801 -9.989 1.00 0.00 H new ATOM 0 HB3 GLU A 32 12.537 1.101 -10.977 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.122 3.547 -11.042 1.00 0.00 H new ATOM 0 HG3 GLU A 32 14.559 3.215 -10.095 1.00 0.00 H new ATOM 420 N ASN A 33 11.329 0.778 -7.138 1.00 0.00 N ATOM 421 CA ASN A 33 10.656 -0.317 -6.460 1.00 0.00 C ATOM 422 C ASN A 33 9.477 0.235 -5.656 1.00 0.00 C ATOM 423 O ASN A 33 9.590 1.281 -5.020 1.00 0.00 O ATOM 424 CB ASN A 33 11.599 -1.027 -5.488 1.00 0.00 C ATOM 425 CG ASN A 33 12.902 -1.428 -6.184 1.00 0.00 C ATOM 426 OD1 ASN A 33 13.057 -2.533 -6.677 1.00 0.00 O ATOM 427 ND2 ASN A 33 13.827 -0.473 -6.195 1.00 0.00 N ATOM 0 H ASN A 33 11.481 1.607 -6.563 1.00 0.00 H new ATOM 0 HA ASN A 33 10.319 -1.025 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 33 11.819 -0.372 -4.645 1.00 0.00 H new ATOM 0 HB3 ASN A 33 11.111 -1.914 -5.084 1.00 0.00 H new ATOM 0 HD21 ASN A 33 14.731 -0.644 -6.635 1.00 0.00 H new ATOM 0 HD22 ASN A 33 13.632 0.431 -5.764 1.00 0.00 H new ATOM 433 N VAL A 34 8.372 -0.494 -5.712 1.00 0.00 N ATOM 434 CA VAL A 34 7.172 -0.091 -4.997 1.00 0.00 C ATOM 435 C VAL A 34 6.784 -1.187 -4.003 1.00 0.00 C ATOM 436 O VAL A 34 7.015 -2.369 -4.256 1.00 0.00 O ATOM 437 CB VAL A 34 6.056 0.238 -5.991 1.00 0.00 C ATOM 438 CG1 VAL A 34 4.684 -0.102 -5.406 1.00 0.00 C ATOM 439 CG2 VAL A 34 6.122 1.705 -6.422 1.00 0.00 C ATOM 0 H VAL A 34 8.282 -1.361 -6.241 1.00 0.00 H new ATOM 0 HA VAL A 34 7.356 0.818 -4.424 1.00 0.00 H new ATOM 0 HB VAL A 34 6.203 -0.378 -6.878 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.908 0.141 -6.132 1.00 0.00 H new ATOM 0 HG12 VAL A 34 4.642 -1.166 -5.172 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.523 0.476 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.318 1.913 -7.128 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.012 2.346 -5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.083 1.902 -6.897 1.00 0.00 H new ATOM 449 N ALA A 35 6.199 -0.757 -2.895 1.00 0.00 N ATOM 450 CA ALA A 35 5.777 -1.688 -1.862 1.00 0.00 C ATOM 451 C ALA A 35 4.254 -1.636 -1.728 1.00 0.00 C ATOM 452 O ALA A 35 3.689 -0.587 -1.422 1.00 0.00 O ATOM 453 CB ALA A 35 6.489 -1.353 -0.550 1.00 0.00 C ATOM 0 H ALA A 35 6.007 0.224 -2.690 1.00 0.00 H new ATOM 0 HA ALA A 35 6.051 -2.709 -2.130 1.00 0.00 H new ATOM 0 HB1 ALA A 35 6.172 -2.051 0.225 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.567 -1.432 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.236 -0.337 -0.248 1.00 0.00 H new ATOM 459 N LEU A 36 3.631 -2.782 -1.964 1.00 0.00 N ATOM 460 CA LEU A 36 2.184 -2.880 -1.873 1.00 0.00 C ATOM 461 C LEU A 36 1.807 -3.611 -0.583 1.00 0.00 C ATOM 462 O LEU A 36 2.562 -4.453 -0.099 1.00 0.00 O ATOM 463 CB LEU A 36 1.611 -3.527 -3.136 1.00 0.00 C ATOM 464 CG LEU A 36 1.586 -2.646 -4.387 1.00 0.00 C ATOM 465 CD1 LEU A 36 1.724 -3.492 -5.655 1.00 0.00 C ATOM 466 CD2 LEU A 36 0.332 -1.770 -4.417 1.00 0.00 C ATOM 0 H LEU A 36 4.102 -3.650 -2.218 1.00 0.00 H new ATOM 0 HA LEU A 36 1.737 -1.887 -1.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.192 -4.422 -3.358 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.592 -3.852 -2.924 1.00 0.00 H new ATOM 0 HG LEU A 36 2.445 -1.976 -4.350 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.703 -2.842 -6.530 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.668 -4.035 -5.629 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.899 -4.202 -5.711 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.340 -1.154 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.555 -2.404 -4.419 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.316 -1.127 -3.537 1.00 0.00 H new ATOM 477 N THR A 37 0.639 -3.264 -0.063 1.00 0.00 N ATOM 478 CA THR A 37 0.152 -3.876 1.160 1.00 0.00 C ATOM 479 C THR A 37 -1.377 -3.936 1.156 1.00 0.00 C ATOM 480 O THR A 37 -2.042 -2.901 1.165 1.00 0.00 O ATOM 481 CB THR A 37 0.726 -3.090 2.342 1.00 0.00 C ATOM 482 OG1 THR A 37 0.824 -1.755 1.857 1.00 0.00 O ATOM 483 CG2 THR A 37 2.172 -3.480 2.657 1.00 0.00 C ATOM 0 H THR A 37 0.015 -2.566 -0.468 1.00 0.00 H new ATOM 0 HA THR A 37 0.486 -4.910 1.244 1.00 0.00 H new ATOM 0 HB THR A 37 0.105 -3.255 3.223 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.186 -1.177 2.561 1.00 0.00 H new ATOM 0 HG21 THR A 37 2.531 -2.894 3.503 1.00 0.00 H new ATOM 0 HG22 THR A 37 2.217 -4.540 2.905 1.00 0.00 H new ATOM 0 HG23 THR A 37 2.799 -3.284 1.787 1.00 0.00 H new ATOM 491 N TRP A 38 -1.888 -5.158 1.142 1.00 0.00 N ATOM 492 CA TRP A 38 -3.326 -5.367 1.136 1.00 0.00 C ATOM 493 C TRP A 38 -3.682 -6.247 2.335 1.00 0.00 C ATOM 494 O TRP A 38 -2.880 -7.076 2.760 1.00 0.00 O ATOM 495 CB TRP A 38 -3.789 -5.958 -0.197 1.00 0.00 C ATOM 496 CG TRP A 38 -3.091 -7.267 -0.573 1.00 0.00 C ATOM 497 CD1 TRP A 38 -3.430 -8.515 -0.217 1.00 0.00 C ATOM 498 CD2 TRP A 38 -1.915 -7.409 -1.397 1.00 0.00 C ATOM 499 NE1 TRP A 38 -2.562 -9.446 -0.748 1.00 0.00 N ATOM 500 CE2 TRP A 38 -1.611 -8.752 -1.489 1.00 0.00 C ATOM 501 CE3 TRP A 38 -1.134 -6.435 -2.043 1.00 0.00 C ATOM 502 CZ2 TRP A 38 -0.521 -9.243 -2.219 1.00 0.00 C ATOM 503 CZ3 TRP A 38 -0.049 -6.942 -2.768 1.00 0.00 C ATOM 504 CH2 TRP A 38 0.270 -8.291 -2.870 1.00 0.00 C ATOM 0 H TRP A 38 -1.332 -6.013 1.135 1.00 0.00 H new ATOM 0 HA TRP A 38 -3.853 -4.418 1.233 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -4.864 -6.131 -0.152 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -3.617 -5.226 -0.987 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -4.277 -8.760 0.407 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -2.609 -10.457 -0.621 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -1.354 -5.379 -1.985 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -0.303 -10.299 -2.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 0.584 -6.236 -3.284 1.00 0.00 H new ATOM 0 HH2 TRP A 38 1.126 -8.603 -3.450 1.00 0.00 H new ATOM 514 N THR A 39 -4.886 -6.035 2.848 1.00 0.00 N ATOM 515 CA THR A 39 -5.357 -6.800 3.990 1.00 0.00 C ATOM 516 C THR A 39 -6.115 -8.043 3.524 1.00 0.00 C ATOM 517 O THR A 39 -6.576 -8.104 2.385 1.00 0.00 O ATOM 518 CB THR A 39 -6.196 -5.869 4.867 1.00 0.00 C ATOM 519 OG1 THR A 39 -7.053 -5.202 3.945 1.00 0.00 O ATOM 520 CG2 THR A 39 -5.368 -4.742 5.487 1.00 0.00 C ATOM 0 H THR A 39 -5.548 -5.345 2.494 1.00 0.00 H new ATOM 0 HA THR A 39 -4.525 -7.172 4.588 1.00 0.00 H new ATOM 0 HB THR A 39 -6.670 -6.448 5.659 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.589 -4.533 4.421 1.00 0.00 H new ATOM 0 HG21 THR A 39 -6.013 -4.111 6.099 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.581 -5.168 6.109 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.920 -4.142 4.695 1.00 0.00 H new ATOM 528 N PRO A 40 -6.226 -9.031 4.452 1.00 0.00 N ATOM 529 CA PRO A 40 -6.921 -10.270 4.148 1.00 0.00 C ATOM 530 C PRO A 40 -8.436 -10.061 4.141 1.00 0.00 C ATOM 531 O PRO A 40 -8.931 -9.064 4.663 1.00 0.00 O ATOM 532 CB PRO A 40 -6.461 -11.251 5.215 1.00 0.00 C ATOM 533 CG PRO A 40 -5.893 -10.405 6.343 1.00 0.00 C ATOM 534 CD PRO A 40 -5.693 -8.995 5.812 1.00 0.00 C ATOM 0 HA PRO A 40 -6.691 -10.648 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -7.291 -11.863 5.566 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -5.707 -11.932 4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -6.572 -10.399 7.195 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -4.947 -10.819 6.692 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -6.220 -8.263 6.424 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.639 -8.716 5.817 1.00 0.00 H new ATOM 539 N PRO A 41 -9.149 -11.043 3.528 1.00 0.00 N ATOM 540 CA PRO A 41 -10.598 -10.978 3.446 1.00 0.00 C ATOM 541 C PRO A 41 -11.239 -11.307 4.795 1.00 0.00 C ATOM 542 O PRO A 41 -10.789 -12.211 5.496 1.00 0.00 O ATOM 543 CB PRO A 41 -10.976 -11.963 2.352 1.00 0.00 C ATOM 544 CG PRO A 41 -9.775 -12.880 2.185 1.00 0.00 C ATOM 545 CD PRO A 41 -8.596 -12.239 2.898 1.00 0.00 C ATOM 0 HA PRO A 41 -10.961 -9.979 3.205 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -11.865 -12.530 2.627 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -11.204 -11.444 1.421 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -9.985 -13.864 2.604 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -9.549 -13.025 1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.166 -12.914 3.638 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -7.800 -11.986 2.198 1.00 0.00 H new ATOM 550 N LYS A 42 -12.282 -10.555 5.119 1.00 0.00 N ATOM 551 CA LYS A 42 -12.990 -10.755 6.371 1.00 0.00 C ATOM 552 C LYS A 42 -13.857 -12.012 6.266 1.00 0.00 C ATOM 553 O LYS A 42 -14.452 -12.444 7.252 1.00 0.00 O ATOM 554 CB LYS A 42 -13.773 -9.498 6.752 1.00 0.00 C ATOM 555 CG LYS A 42 -13.035 -8.698 7.827 1.00 0.00 C ATOM 556 CD LYS A 42 -13.989 -7.745 8.551 1.00 0.00 C ATOM 557 CE LYS A 42 -14.181 -6.451 7.756 1.00 0.00 C ATOM 558 NZ LYS A 42 -15.560 -6.368 7.228 1.00 0.00 N ATOM 0 H LYS A 42 -12.653 -9.806 4.535 1.00 0.00 H new ATOM 0 HA LYS A 42 -12.284 -10.920 7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -13.922 -8.876 5.869 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -14.762 -9.777 7.116 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -12.581 -9.380 8.546 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -12.224 -8.130 7.371 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -14.953 -8.232 8.698 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -13.595 -7.513 9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.977 -5.591 8.394 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.467 -6.413 6.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.674 -5.484 6.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -15.742 -7.179 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -16.236 -6.382 8.018 1.00 0.00 H new ATOM 568 N ASP A 43 -13.901 -12.564 5.062 1.00 0.00 N ATOM 569 CA ASP A 43 -14.685 -13.762 4.815 1.00 0.00 C ATOM 570 C ASP A 43 -13.864 -14.739 3.972 1.00 0.00 C ATOM 571 O ASP A 43 -12.909 -14.340 3.307 1.00 0.00 O ATOM 572 CB ASP A 43 -15.966 -13.432 4.045 1.00 0.00 C ATOM 573 CG ASP A 43 -17.015 -14.545 4.030 1.00 0.00 C ATOM 574 OD1 ASP A 43 -17.751 -14.645 5.037 1.00 0.00 O ATOM 575 OD2 ASP A 43 -17.059 -15.271 3.014 1.00 0.00 O ATOM 0 H ASP A 43 -13.406 -12.203 4.247 1.00 0.00 H new ATOM 0 HA ASP A 43 -14.946 -14.199 5.779 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -16.413 -12.538 4.479 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -15.701 -13.189 3.016 1.00 0.00 H new ATOM 579 N ASP A 44 -14.267 -16.000 4.026 1.00 0.00 N ATOM 580 CA ASP A 44 -13.580 -17.037 3.276 1.00 0.00 C ATOM 581 C ASP A 44 -14.181 -18.399 3.628 1.00 0.00 C ATOM 582 O ASP A 44 -14.022 -18.880 4.749 1.00 0.00 O ATOM 583 CB ASP A 44 -12.090 -17.074 3.623 1.00 0.00 C ATOM 584 CG ASP A 44 -11.353 -18.339 3.176 1.00 0.00 C ATOM 585 OD1 ASP A 44 -11.986 -19.139 2.454 1.00 0.00 O ATOM 586 OD2 ASP A 44 -10.174 -18.476 3.568 1.00 0.00 O ATOM 0 H ASP A 44 -15.060 -16.327 4.577 1.00 0.00 H new ATOM 0 HA ASP A 44 -13.698 -16.818 2.215 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -11.605 -16.210 3.169 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -11.981 -16.970 4.703 1.00 0.00 H new ATOM 590 N GLY A 45 -14.860 -18.981 2.651 1.00 0.00 N ATOM 591 CA GLY A 45 -15.487 -20.278 2.844 1.00 0.00 C ATOM 592 C GLY A 45 -15.771 -20.956 1.502 1.00 0.00 C ATOM 593 O GLY A 45 -15.093 -21.914 1.131 1.00 0.00 O ATOM 0 H GLY A 45 -14.990 -18.578 1.723 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -14.838 -20.914 3.446 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -16.418 -20.157 3.398 1.00 0.00 H new ATOM 597 N ASN A 46 -16.772 -20.432 0.811 1.00 0.00 N ATOM 598 CA ASN A 46 -17.153 -20.974 -0.481 1.00 0.00 C ATOM 599 C ASN A 46 -15.900 -21.166 -1.339 1.00 0.00 C ATOM 600 O ASN A 46 -15.618 -22.274 -1.793 1.00 0.00 O ATOM 601 CB ASN A 46 -18.091 -20.021 -1.224 1.00 0.00 C ATOM 602 CG ASN A 46 -19.549 -20.464 -1.081 1.00 0.00 C ATOM 603 OD1 ASN A 46 -20.071 -21.235 -1.869 1.00 0.00 O ATOM 604 ND2 ASN A 46 -20.175 -19.937 -0.032 1.00 0.00 N ATOM 0 H ASN A 46 -17.331 -19.637 1.122 1.00 0.00 H new ATOM 0 HA ASN A 46 -17.662 -21.922 -0.311 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -17.974 -19.011 -0.832 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -17.819 -19.987 -2.279 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -21.150 -20.173 0.151 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -19.680 -19.297 0.589 1.00 0.00 H new ATOM 610 N ALA A 47 -15.182 -20.070 -1.534 1.00 0.00 N ATOM 611 CA ALA A 47 -13.966 -20.104 -2.329 1.00 0.00 C ATOM 612 C ALA A 47 -12.770 -19.764 -1.438 1.00 0.00 C ATOM 613 O ALA A 47 -12.559 -18.602 -1.092 1.00 0.00 O ATOM 614 CB ALA A 47 -14.103 -19.144 -3.512 1.00 0.00 C ATOM 0 H ALA A 47 -15.419 -19.153 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.801 -21.102 -2.736 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -13.191 -19.169 -4.109 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.949 -19.446 -4.129 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -14.267 -18.132 -3.142 1.00 0.00 H new ATOM 620 N ALA A 48 -12.018 -20.799 -1.091 1.00 0.00 N ATOM 621 CA ALA A 48 -10.849 -20.623 -0.245 1.00 0.00 C ATOM 622 C ALA A 48 -9.754 -19.907 -1.040 1.00 0.00 C ATOM 623 O ALA A 48 -9.160 -20.487 -1.947 1.00 0.00 O ATOM 624 CB ALA A 48 -10.391 -21.985 0.281 1.00 0.00 C ATOM 0 H ALA A 48 -12.195 -21.761 -1.380 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.089 -20.003 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.514 -21.854 0.915 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -11.194 -22.440 0.861 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -10.138 -22.633 -0.558 1.00 0.00 H new ATOM 630 N ILE A 49 -9.521 -18.657 -0.669 1.00 0.00 N ATOM 631 CA ILE A 49 -8.507 -17.856 -1.336 1.00 0.00 C ATOM 632 C ILE A 49 -7.201 -18.649 -1.406 1.00 0.00 C ATOM 633 O ILE A 49 -6.596 -18.947 -0.377 1.00 0.00 O ATOM 634 CB ILE A 49 -8.365 -16.495 -0.650 1.00 0.00 C ATOM 635 CG1 ILE A 49 -9.631 -15.654 -0.831 1.00 0.00 C ATOM 636 CG2 ILE A 49 -7.116 -15.762 -1.142 1.00 0.00 C ATOM 637 CD1 ILE A 49 -10.473 -15.649 0.446 1.00 0.00 C ATOM 0 H ILE A 49 -10.016 -18.179 0.084 1.00 0.00 H new ATOM 0 HA ILE A 49 -8.804 -17.641 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.241 -16.663 0.420 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -9.358 -14.632 -1.095 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -10.220 -16.051 -1.658 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.038 -14.798 -0.639 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.232 -16.360 -0.919 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -7.186 -15.605 -2.218 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.366 -15.044 0.290 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -10.764 -16.670 0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -9.889 -15.229 1.265 1.00 0.00 H new ATOM 648 N THR A 50 -6.804 -18.966 -2.629 1.00 0.00 N ATOM 649 CA THR A 50 -5.580 -19.718 -2.848 1.00 0.00 C ATOM 650 C THR A 50 -4.402 -18.768 -3.066 1.00 0.00 C ATOM 651 O THR A 50 -3.399 -18.842 -2.358 1.00 0.00 O ATOM 652 CB THR A 50 -5.815 -20.674 -4.019 1.00 0.00 C ATOM 653 OG1 THR A 50 -7.044 -21.321 -3.697 1.00 0.00 O ATOM 654 CG2 THR A 50 -4.795 -21.813 -4.058 1.00 0.00 C ATOM 0 H THR A 50 -7.308 -18.716 -3.479 1.00 0.00 H new ATOM 0 HA THR A 50 -5.319 -20.312 -1.972 1.00 0.00 H new ATOM 0 HB THR A 50 -5.775 -20.118 -4.956 1.00 0.00 H new ATOM 0 HG1 THR A 50 -7.274 -21.958 -4.405 1.00 0.00 H new ATOM 0 HG21 THR A 50 -5.007 -22.462 -4.908 1.00 0.00 H new ATOM 0 HG22 THR A 50 -3.792 -21.399 -4.159 1.00 0.00 H new ATOM 0 HG23 THR A 50 -4.859 -22.390 -3.136 1.00 0.00 H new ATOM 662 N GLY A 51 -4.561 -17.895 -4.050 1.00 0.00 N ATOM 663 CA GLY A 51 -3.523 -16.931 -4.372 1.00 0.00 C ATOM 664 C GLY A 51 -4.129 -15.571 -4.729 1.00 0.00 C ATOM 665 O GLY A 51 -5.348 -15.409 -4.717 1.00 0.00 O ATOM 0 H GLY A 51 -5.394 -17.835 -4.635 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.848 -16.821 -3.523 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.927 -17.298 -5.208 1.00 0.00 H new ATOM 669 N TYR A 52 -3.248 -14.630 -5.038 1.00 0.00 N ATOM 670 CA TYR A 52 -3.681 -13.291 -5.396 1.00 0.00 C ATOM 671 C TYR A 52 -2.941 -12.791 -6.639 1.00 0.00 C ATOM 672 O TYR A 52 -1.711 -12.757 -6.662 1.00 0.00 O ATOM 673 CB TYR A 52 -3.319 -12.398 -4.209 1.00 0.00 C ATOM 674 CG TYR A 52 -4.171 -12.644 -2.962 1.00 0.00 C ATOM 675 CD1 TYR A 52 -3.837 -13.659 -2.087 1.00 0.00 C ATOM 676 CD2 TYR A 52 -5.274 -11.854 -2.713 1.00 0.00 C ATOM 677 CE1 TYR A 52 -4.640 -13.892 -0.914 1.00 0.00 C ATOM 678 CE2 TYR A 52 -6.077 -12.086 -1.539 1.00 0.00 C ATOM 679 CZ TYR A 52 -5.719 -13.093 -0.698 1.00 0.00 C ATOM 680 OH TYR A 52 -6.476 -13.313 0.410 1.00 0.00 O ATOM 0 H TYR A 52 -2.238 -14.769 -5.048 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.748 -13.279 -5.617 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.270 -12.554 -3.956 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.423 -11.355 -4.507 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -2.974 -14.278 -2.282 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.536 -11.061 -3.398 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -4.391 -14.683 -0.222 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.943 -11.474 -1.332 1.00 0.00 H new ATOM 0 HH TYR A 52 -6.039 -12.911 1.190 1.00 0.00 H new ATOM 689 N THR A 53 -3.721 -12.414 -7.642 1.00 0.00 N ATOM 690 CA THR A 53 -3.155 -11.918 -8.885 1.00 0.00 C ATOM 691 C THR A 53 -2.996 -10.398 -8.828 1.00 0.00 C ATOM 692 O THR A 53 -3.974 -9.674 -8.649 1.00 0.00 O ATOM 693 CB THR A 53 -4.046 -12.394 -10.033 1.00 0.00 C ATOM 694 OG1 THR A 53 -3.992 -13.815 -9.950 1.00 0.00 O ATOM 695 CG2 THR A 53 -3.451 -12.078 -11.407 1.00 0.00 C ATOM 0 H THR A 53 -4.740 -12.442 -7.619 1.00 0.00 H new ATOM 0 HA THR A 53 -2.152 -12.312 -9.049 1.00 0.00 H new ATOM 0 HB THR A 53 -5.027 -11.928 -9.947 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.532 -14.205 -10.669 1.00 0.00 H new ATOM 0 HG21 THR A 53 -4.123 -12.437 -12.186 1.00 0.00 H new ATOM 0 HG22 THR A 53 -3.321 -11.001 -11.508 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.484 -12.571 -11.507 1.00 0.00 H new ATOM 703 N ILE A 54 -1.756 -9.958 -8.985 1.00 0.00 N ATOM 704 CA ILE A 54 -1.457 -8.537 -8.954 1.00 0.00 C ATOM 705 C ILE A 54 -1.144 -8.054 -10.372 1.00 0.00 C ATOM 706 O ILE A 54 -0.732 -8.842 -11.222 1.00 0.00 O ATOM 707 CB ILE A 54 -0.343 -8.245 -7.946 1.00 0.00 C ATOM 708 CG1 ILE A 54 -0.737 -8.711 -6.543 1.00 0.00 C ATOM 709 CG2 ILE A 54 0.047 -6.766 -7.971 1.00 0.00 C ATOM 710 CD1 ILE A 54 0.184 -9.833 -6.059 1.00 0.00 C ATOM 0 H ILE A 54 -0.947 -10.561 -9.134 1.00 0.00 H new ATOM 0 HA ILE A 54 -2.324 -7.974 -8.609 1.00 0.00 H new ATOM 0 HB ILE A 54 0.539 -8.814 -8.238 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.688 -7.871 -5.850 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.770 -9.060 -6.548 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.840 -6.587 -7.245 1.00 0.00 H new ATOM 0 HG22 ILE A 54 0.400 -6.499 -8.967 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.821 -6.157 -7.718 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -0.118 -10.146 -5.059 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.114 -10.681 -6.741 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.212 -9.473 -6.031 1.00 0.00 H new ATOM 721 N GLN A 55 -1.352 -6.763 -10.583 1.00 0.00 N ATOM 722 CA GLN A 55 -1.098 -6.167 -11.884 1.00 0.00 C ATOM 723 C GLN A 55 -0.767 -4.681 -11.731 1.00 0.00 C ATOM 724 O GLN A 55 -1.165 -4.050 -10.753 1.00 0.00 O ATOM 725 CB GLN A 55 -2.290 -6.370 -12.822 1.00 0.00 C ATOM 726 CG GLN A 55 -2.950 -7.730 -12.586 1.00 0.00 C ATOM 727 CD GLN A 55 -4.188 -7.900 -13.469 1.00 0.00 C ATOM 728 OE1 GLN A 55 -5.319 -7.817 -13.019 1.00 0.00 O ATOM 729 NE2 GLN A 55 -3.911 -8.140 -14.747 1.00 0.00 N ATOM 0 H GLN A 55 -1.694 -6.113 -9.875 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.238 -6.667 -12.330 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.020 -5.576 -12.665 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -1.958 -6.298 -13.858 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.236 -8.526 -12.797 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -3.231 -7.824 -11.537 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.941 -8.197 -15.057 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -4.669 -8.267 -15.418 1.00 0.00 H new ATOM 736 N LYS A 56 -0.041 -4.167 -12.712 1.00 0.00 N ATOM 737 CA LYS A 56 0.350 -2.767 -12.699 1.00 0.00 C ATOM 738 C LYS A 56 -0.030 -2.123 -14.035 1.00 0.00 C ATOM 739 O LYS A 56 -0.053 -2.793 -15.066 1.00 0.00 O ATOM 740 CB LYS A 56 1.832 -2.626 -12.347 1.00 0.00 C ATOM 741 CG LYS A 56 2.716 -3.086 -13.509 1.00 0.00 C ATOM 742 CD LYS A 56 4.172 -3.238 -13.063 1.00 0.00 C ATOM 743 CE LYS A 56 5.038 -3.786 -14.197 1.00 0.00 C ATOM 744 NZ LYS A 56 6.428 -3.997 -13.733 1.00 0.00 N ATOM 0 H LYS A 56 0.287 -4.694 -13.521 1.00 0.00 H new ATOM 0 HA LYS A 56 -0.190 -2.229 -11.920 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.055 -1.587 -12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 56 2.057 -3.216 -11.458 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.349 -4.037 -13.896 1.00 0.00 H new ATOM 0 HG3 LYS A 56 2.655 -2.365 -14.325 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.559 -2.272 -12.739 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.225 -3.907 -12.204 1.00 0.00 H new ATOM 0 HE2 LYS A 56 4.622 -4.727 -14.558 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.030 -3.091 -15.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.056 -4.105 -14.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.734 -3.179 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 6.472 -4.856 -13.149 1.00 0.00 H new ATOM 754 N ALA A 57 -0.316 -0.831 -13.972 1.00 0.00 N ATOM 755 CA ALA A 57 -0.693 -0.091 -15.164 1.00 0.00 C ATOM 756 C ALA A 57 -0.420 1.399 -14.941 1.00 0.00 C ATOM 757 O ALA A 57 -0.977 2.005 -14.027 1.00 0.00 O ATOM 758 CB ALA A 57 -2.159 -0.371 -15.498 1.00 0.00 C ATOM 0 H ALA A 57 -0.294 -0.278 -13.115 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.098 -0.412 -16.019 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.441 0.185 -16.392 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.294 -1.438 -15.676 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -2.788 -0.060 -14.664 1.00 0.00 H new ATOM 764 N ASP A 58 0.436 1.944 -15.792 1.00 0.00 N ATOM 765 CA ASP A 58 0.789 3.351 -15.699 1.00 0.00 C ATOM 766 C ASP A 58 -0.408 4.203 -16.127 1.00 0.00 C ATOM 767 O ASP A 58 -1.449 3.669 -16.507 1.00 0.00 O ATOM 768 CB ASP A 58 1.962 3.687 -16.622 1.00 0.00 C ATOM 769 CG ASP A 58 3.290 3.954 -15.910 1.00 0.00 C ATOM 770 OD1 ASP A 58 3.230 4.461 -14.770 1.00 0.00 O ATOM 771 OD2 ASP A 58 4.335 3.643 -16.522 1.00 0.00 O ATOM 0 H ASP A 58 0.896 1.438 -16.549 1.00 0.00 H new ATOM 0 HA ASP A 58 1.071 3.560 -14.667 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.102 2.863 -17.322 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.700 4.565 -17.212 1.00 0.00 H new ATOM 775 N LYS A 59 -0.220 5.512 -16.052 1.00 0.00 N ATOM 776 CA LYS A 59 -1.271 6.442 -16.427 1.00 0.00 C ATOM 777 C LYS A 59 -1.132 6.791 -17.911 1.00 0.00 C ATOM 778 O LYS A 59 -1.646 7.813 -18.363 1.00 0.00 O ATOM 779 CB LYS A 59 -1.261 7.663 -15.504 1.00 0.00 C ATOM 780 CG LYS A 59 -2.304 7.519 -14.394 1.00 0.00 C ATOM 781 CD LYS A 59 -3.500 8.439 -14.645 1.00 0.00 C ATOM 782 CE LYS A 59 -3.402 9.710 -13.798 1.00 0.00 C ATOM 783 NZ LYS A 59 -2.834 10.820 -14.594 1.00 0.00 N ATOM 0 H LYS A 59 0.645 5.951 -15.737 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.251 5.982 -16.298 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.271 7.783 -15.064 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.464 8.563 -16.084 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.642 6.484 -14.339 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.852 7.758 -13.432 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.544 8.704 -15.701 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -4.425 7.912 -14.410 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.390 9.987 -13.431 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.778 9.525 -12.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.774 11.675 -14.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.883 10.560 -14.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.445 11.007 -15.414 1.00 0.00 H new ATOM 793 N LYS A 60 -0.435 5.921 -18.627 1.00 0.00 N ATOM 794 CA LYS A 60 -0.222 6.125 -20.050 1.00 0.00 C ATOM 795 C LYS A 60 -1.279 5.345 -20.836 1.00 0.00 C ATOM 796 O LYS A 60 -1.879 5.876 -21.769 1.00 0.00 O ATOM 797 CB LYS A 60 1.216 5.768 -20.433 1.00 0.00 C ATOM 798 CG LYS A 60 1.293 4.358 -21.021 1.00 0.00 C ATOM 799 CD LYS A 60 1.340 3.304 -19.914 1.00 0.00 C ATOM 800 CE LYS A 60 2.704 2.612 -19.873 1.00 0.00 C ATOM 801 NZ LYS A 60 2.540 1.140 -19.897 1.00 0.00 N ATOM 0 H LYS A 60 -0.011 5.074 -18.249 1.00 0.00 H new ATOM 0 HA LYS A 60 -0.344 7.177 -20.307 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.593 6.489 -21.158 1.00 0.00 H new ATOM 0 HB3 LYS A 60 1.857 5.835 -19.554 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.429 4.180 -21.661 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.179 4.270 -21.649 1.00 0.00 H new ATOM 0 HD2 LYS A 60 1.137 3.773 -18.951 1.00 0.00 H new ATOM 0 HD3 LYS A 60 0.557 2.563 -20.079 1.00 0.00 H new ATOM 0 HE2 LYS A 60 3.306 2.931 -20.724 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.242 2.909 -18.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.475 0.686 -19.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 1.984 0.839 -19.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.046 0.860 -20.768 1.00 0.00 H new ATOM 811 N SER A 61 -1.473 4.100 -20.430 1.00 0.00 N ATOM 812 CA SER A 61 -2.447 3.242 -21.084 1.00 0.00 C ATOM 813 C SER A 61 -3.502 2.784 -20.075 1.00 0.00 C ATOM 814 O SER A 61 -4.668 2.613 -20.426 1.00 0.00 O ATOM 815 CB SER A 61 -1.769 2.032 -21.730 1.00 0.00 C ATOM 816 OG SER A 61 -1.036 2.392 -22.899 1.00 0.00 O ATOM 0 H SER A 61 -0.972 3.664 -19.656 1.00 0.00 H new ATOM 0 HA SER A 61 -2.933 3.816 -21.873 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.097 1.566 -21.010 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.523 1.289 -21.989 1.00 0.00 H new ATOM 0 HG SER A 61 -0.617 1.593 -23.281 1.00 0.00 H new ATOM 821 N MET A 62 -3.055 2.598 -18.842 1.00 0.00 N ATOM 822 CA MET A 62 -3.946 2.162 -17.780 1.00 0.00 C ATOM 823 C MET A 62 -4.393 0.715 -17.999 1.00 0.00 C ATOM 824 O MET A 62 -5.460 0.316 -17.537 1.00 0.00 O ATOM 825 CB MET A 62 -5.173 3.075 -17.737 1.00 0.00 C ATOM 826 CG MET A 62 -5.174 3.931 -16.469 1.00 0.00 C ATOM 827 SD MET A 62 -6.508 3.427 -15.395 1.00 0.00 S ATOM 828 CE MET A 62 -5.855 1.877 -14.798 1.00 0.00 C ATOM 0 H MET A 62 -2.087 2.741 -18.554 1.00 0.00 H new ATOM 0 HA MET A 62 -3.408 2.217 -16.834 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.182 3.720 -18.616 1.00 0.00 H new ATOM 0 HB3 MET A 62 -6.081 2.473 -17.774 1.00 0.00 H new ATOM 0 HG2 MET A 62 -4.220 3.829 -15.951 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.284 4.983 -16.731 1.00 0.00 H new ATOM 0 HE1 MET A 62 -6.384 1.052 -15.274 1.00 0.00 H new ATOM 0 HE2 MET A 62 -4.793 1.813 -15.037 1.00 0.00 H new ATOM 0 HE3 MET A 62 -5.988 1.818 -13.718 1.00 0.00 H new ATOM 836 N GLU A 63 -3.554 -0.030 -18.702 1.00 0.00 N ATOM 837 CA GLU A 63 -3.849 -1.424 -18.987 1.00 0.00 C ATOM 838 C GLU A 63 -3.016 -2.338 -18.086 1.00 0.00 C ATOM 839 O GLU A 63 -1.836 -2.080 -17.855 1.00 0.00 O ATOM 840 CB GLU A 63 -3.610 -1.744 -20.464 1.00 0.00 C ATOM 841 CG GLU A 63 -4.618 -1.015 -21.354 1.00 0.00 C ATOM 842 CD GLU A 63 -5.127 -1.930 -22.470 1.00 0.00 C ATOM 843 OE1 GLU A 63 -4.410 -2.037 -23.488 1.00 0.00 O ATOM 844 OE2 GLU A 63 -6.221 -2.504 -22.279 1.00 0.00 O ATOM 0 H GLU A 63 -2.669 0.305 -19.083 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.904 -1.602 -18.777 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.597 -1.454 -20.743 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.689 -2.819 -20.624 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.458 -0.669 -20.751 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -4.152 -0.130 -21.788 1.00 0.00 H new ATOM 849 N TRP A 64 -3.664 -3.387 -17.602 1.00 0.00 N ATOM 850 CA TRP A 64 -2.998 -4.341 -16.731 1.00 0.00 C ATOM 851 C TRP A 64 -2.351 -5.412 -17.610 1.00 0.00 C ATOM 852 O TRP A 64 -2.993 -5.954 -18.510 1.00 0.00 O ATOM 853 CB TRP A 64 -3.974 -4.920 -15.704 1.00 0.00 C ATOM 854 CG TRP A 64 -4.796 -3.864 -14.962 1.00 0.00 C ATOM 855 CD1 TRP A 64 -6.039 -3.445 -15.235 1.00 0.00 C ATOM 856 CD2 TRP A 64 -4.380 -3.106 -13.807 1.00 0.00 C ATOM 857 NE1 TRP A 64 -6.453 -2.476 -14.344 1.00 0.00 N ATOM 858 CE2 TRP A 64 -5.412 -2.264 -13.447 1.00 0.00 C ATOM 859 CE3 TRP A 64 -3.171 -3.133 -13.089 1.00 0.00 C ATOM 860 CZ2 TRP A 64 -5.340 -1.384 -12.361 1.00 0.00 C ATOM 861 CZ3 TRP A 64 -3.115 -2.247 -12.005 1.00 0.00 C ATOM 862 CH2 TRP A 64 -4.145 -1.392 -11.631 1.00 0.00 C ATOM 0 H TRP A 64 -4.643 -3.598 -17.796 1.00 0.00 H new ATOM 0 HA TRP A 64 -2.218 -3.851 -16.148 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -4.654 -5.605 -16.210 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.414 -5.507 -14.976 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.641 -3.819 -16.050 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.356 -2.002 -14.344 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.351 -3.785 -13.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.162 -0.734 -12.100 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -2.208 -2.227 -11.419 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.024 -0.737 -10.781 1.00 0.00 H new ATOM 872 N PHE A 65 -1.087 -5.687 -17.321 1.00 0.00 N ATOM 873 CA PHE A 65 -0.345 -6.683 -18.075 1.00 0.00 C ATOM 874 C PHE A 65 0.155 -7.801 -17.159 1.00 0.00 C ATOM 875 O PHE A 65 1.154 -8.454 -17.458 1.00 0.00 O ATOM 876 CB PHE A 65 0.858 -5.971 -18.696 1.00 0.00 C ATOM 877 CG PHE A 65 0.599 -5.423 -20.101 1.00 0.00 C ATOM 878 CD1 PHE A 65 -0.117 -4.277 -20.262 1.00 0.00 C ATOM 879 CD2 PHE A 65 1.085 -6.081 -21.187 1.00 0.00 C ATOM 880 CE1 PHE A 65 -0.357 -3.769 -21.566 1.00 0.00 C ATOM 881 CE2 PHE A 65 0.845 -5.571 -22.490 1.00 0.00 C ATOM 882 CZ PHE A 65 0.129 -4.427 -22.653 1.00 0.00 C ATOM 0 H PHE A 65 -0.558 -5.237 -16.574 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.987 -7.130 -18.834 1.00 0.00 H new ATOM 0 HB2 PHE A 65 1.156 -5.149 -18.046 1.00 0.00 H new ATOM 0 HB3 PHE A 65 1.697 -6.666 -18.737 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -0.502 -3.754 -19.399 1.00 0.00 H new ATOM 0 HD2 PHE A 65 1.653 -6.991 -21.059 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.926 -2.860 -21.695 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.232 -6.093 -23.353 1.00 0.00 H new ATOM 0 HZ PHE A 65 -0.054 -4.041 -23.645 1.00 0.00 H new ATOM 891 N THR A 66 -0.561 -7.990 -16.060 1.00 0.00 N ATOM 892 CA THR A 66 -0.202 -9.018 -15.100 1.00 0.00 C ATOM 893 C THR A 66 1.174 -8.727 -14.496 1.00 0.00 C ATOM 894 O THR A 66 2.096 -8.334 -15.208 1.00 0.00 O ATOM 895 CB THR A 66 -0.281 -10.373 -15.804 1.00 0.00 C ATOM 896 OG1 THR A 66 -1.677 -10.657 -15.857 1.00 0.00 O ATOM 897 CG2 THR A 66 0.297 -11.509 -14.958 1.00 0.00 C ATOM 0 H THR A 66 -1.389 -7.447 -15.814 1.00 0.00 H new ATOM 0 HA THR A 66 -0.896 -9.032 -14.259 1.00 0.00 H new ATOM 0 HB THR A 66 0.253 -10.319 -16.753 1.00 0.00 H new ATOM 0 HG1 THR A 66 -1.819 -11.519 -16.301 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.216 -12.448 -15.505 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.346 -11.305 -14.742 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.258 -11.585 -14.023 1.00 0.00 H new ATOM 905 N VAL A 67 1.267 -8.931 -13.190 1.00 0.00 N ATOM 906 CA VAL A 67 2.514 -8.695 -12.483 1.00 0.00 C ATOM 907 C VAL A 67 2.955 -9.987 -11.791 1.00 0.00 C ATOM 908 O VAL A 67 4.125 -10.361 -11.855 1.00 0.00 O ATOM 909 CB VAL A 67 2.353 -7.523 -11.513 1.00 0.00 C ATOM 910 CG1 VAL A 67 3.423 -7.563 -10.421 1.00 0.00 C ATOM 911 CG2 VAL A 67 2.379 -6.187 -12.260 1.00 0.00 C ATOM 0 H VAL A 67 0.499 -9.257 -12.603 1.00 0.00 H new ATOM 0 HA VAL A 67 3.302 -8.415 -13.182 1.00 0.00 H new ATOM 0 HB VAL A 67 1.380 -7.618 -11.030 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.285 -6.719 -9.745 1.00 0.00 H new ATOM 0 HG12 VAL A 67 3.336 -8.494 -9.861 1.00 0.00 H new ATOM 0 HG13 VAL A 67 4.411 -7.505 -10.877 1.00 0.00 H new ATOM 0 HG21 VAL A 67 2.263 -5.370 -11.548 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.330 -6.081 -12.782 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.563 -6.158 -12.982 1.00 0.00 H new ATOM 921 N ILE A 68 1.995 -10.631 -11.144 1.00 0.00 N ATOM 922 CA ILE A 68 2.269 -11.873 -10.441 1.00 0.00 C ATOM 923 C ILE A 68 0.997 -12.720 -10.394 1.00 0.00 C ATOM 924 O ILE A 68 -0.110 -12.190 -10.488 1.00 0.00 O ATOM 925 CB ILE A 68 2.869 -11.587 -9.063 1.00 0.00 C ATOM 926 CG1 ILE A 68 4.056 -12.509 -8.778 1.00 0.00 C ATOM 927 CG2 ILE A 68 1.801 -11.675 -7.971 1.00 0.00 C ATOM 928 CD1 ILE A 68 5.182 -11.752 -8.072 1.00 0.00 C ATOM 0 H ILE A 68 1.026 -10.316 -11.092 1.00 0.00 H new ATOM 0 HA ILE A 68 3.019 -12.455 -10.976 1.00 0.00 H new ATOM 0 HB ILE A 68 3.248 -10.565 -9.062 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.731 -13.345 -8.159 1.00 0.00 H new ATOM 0 HG13 ILE A 68 4.426 -12.930 -9.713 1.00 0.00 H new ATOM 0 HG21 ILE A 68 2.254 -11.468 -7.002 1.00 0.00 H new ATOM 0 HG22 ILE A 68 1.017 -10.944 -8.169 1.00 0.00 H new ATOM 0 HG23 ILE A 68 1.370 -12.676 -7.963 1.00 0.00 H new ATOM 0 HD11 ILE A 68 6.013 -12.431 -7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 68 5.521 -10.932 -8.704 1.00 0.00 H new ATOM 0 HD13 ILE A 68 4.815 -11.353 -7.126 1.00 0.00 H new ATOM 939 N GLU A 69 1.195 -14.022 -10.250 1.00 0.00 N ATOM 940 CA GLU A 69 0.076 -14.947 -10.189 1.00 0.00 C ATOM 941 C GLU A 69 0.343 -16.033 -9.145 1.00 0.00 C ATOM 942 O GLU A 69 1.494 -16.366 -8.869 1.00 0.00 O ATOM 943 CB GLU A 69 -0.202 -15.563 -11.562 1.00 0.00 C ATOM 944 CG GLU A 69 -0.627 -14.490 -12.566 1.00 0.00 C ATOM 945 CD GLU A 69 -1.868 -14.931 -13.347 1.00 0.00 C ATOM 946 OE1 GLU A 69 -1.802 -16.029 -13.942 1.00 0.00 O ATOM 947 OE2 GLU A 69 -2.852 -14.162 -13.329 1.00 0.00 O ATOM 0 H GLU A 69 2.114 -14.458 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.813 -14.392 -9.890 1.00 0.00 H new ATOM 0 HB2 GLU A 69 0.691 -16.072 -11.924 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -0.985 -16.316 -11.475 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -0.835 -13.558 -12.041 1.00 0.00 H new ATOM 0 HG3 GLU A 69 0.191 -14.290 -13.258 1.00 0.00 H new ATOM 952 N HIS A 70 -0.742 -16.557 -8.593 1.00 0.00 N ATOM 953 CA HIS A 70 -0.641 -17.600 -7.586 1.00 0.00 C ATOM 954 C HIS A 70 0.306 -17.146 -6.472 1.00 0.00 C ATOM 955 O HIS A 70 1.296 -17.816 -6.183 1.00 0.00 O ATOM 956 CB HIS A 70 -0.219 -18.927 -8.218 1.00 0.00 C ATOM 957 CG HIS A 70 -0.755 -19.141 -9.613 1.00 0.00 C ATOM 958 ND1 HIS A 70 -0.385 -18.590 -10.805 1.00 0.00 N flip ATOM 959 CD2 HIS A 70 -1.797 -20.009 -9.892 1.00 0.00 C flip ATOM 960 CE1 HIS A 70 -1.157 -19.095 -11.759 1.00 0.00 C flip ATOM 961 NE2 HIS A 70 -2.033 -19.974 -11.194 1.00 0.00 N flip ATOM 0 H HIS A 70 -1.696 -16.279 -8.824 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.619 -17.774 -7.137 1.00 0.00 H new ATOM 0 HB2 HIS A 70 0.870 -18.974 -8.247 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.556 -19.745 -7.581 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.327 -20.612 -9.170 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.101 -18.850 -12.809 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.746 -20.511 -11.688 1.00 0.00 H new ATOM 968 N TYR A 71 -0.032 -16.012 -5.877 1.00 0.00 N ATOM 969 CA TYR A 71 0.774 -15.462 -4.802 1.00 0.00 C ATOM 970 C TYR A 71 -0.064 -15.256 -3.537 1.00 0.00 C ATOM 971 O TYR A 71 -1.132 -14.648 -3.589 1.00 0.00 O ATOM 972 CB TYR A 71 1.269 -14.102 -5.298 1.00 0.00 C ATOM 973 CG TYR A 71 2.224 -13.396 -4.334 1.00 0.00 C ATOM 974 CD1 TYR A 71 2.856 -14.116 -3.340 1.00 0.00 C ATOM 975 CD2 TYR A 71 2.455 -12.041 -4.459 1.00 0.00 C ATOM 976 CE1 TYR A 71 3.756 -13.452 -2.432 1.00 0.00 C ATOM 977 CE2 TYR A 71 3.355 -11.378 -3.552 1.00 0.00 C ATOM 978 CZ TYR A 71 3.961 -12.115 -2.584 1.00 0.00 C ATOM 979 OH TYR A 71 4.811 -11.489 -1.726 1.00 0.00 O ATOM 0 H TYR A 71 -0.854 -15.459 -6.120 1.00 0.00 H new ATOM 0 HA TYR A 71 1.591 -16.138 -4.552 1.00 0.00 H new ATOM 0 HB2 TYR A 71 1.771 -14.237 -6.256 1.00 0.00 H new ATOM 0 HB3 TYR A 71 0.409 -13.457 -5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.676 -15.176 -3.243 1.00 0.00 H new ATOM 0 HD2 TYR A 71 1.961 -11.478 -5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 71 4.256 -14.002 -1.649 1.00 0.00 H new ATOM 0 HE2 TYR A 71 3.545 -10.318 -3.639 1.00 0.00 H new ATOM 0 HH TYR A 71 4.453 -10.606 -1.497 1.00 0.00 H new ATOM 988 N HIS A 72 0.454 -15.773 -2.432 1.00 0.00 N ATOM 989 CA HIS A 72 -0.233 -15.654 -1.158 1.00 0.00 C ATOM 990 C HIS A 72 0.162 -14.339 -0.483 1.00 0.00 C ATOM 991 O HIS A 72 -0.304 -13.270 -0.876 1.00 0.00 O ATOM 992 CB HIS A 72 0.037 -16.876 -0.278 1.00 0.00 C ATOM 993 CG HIS A 72 -0.529 -18.164 -0.828 1.00 0.00 C ATOM 994 ND1 HIS A 72 -1.394 -18.969 -0.108 1.00 0.00 N ATOM 995 CD2 HIS A 72 -0.345 -18.776 -2.032 1.00 0.00 C ATOM 996 CE1 HIS A 72 -1.709 -20.017 -0.856 1.00 0.00 C ATOM 997 NE2 HIS A 72 -1.058 -19.896 -2.047 1.00 0.00 N ATOM 0 H HIS A 72 1.341 -16.275 -2.393 1.00 0.00 H new ATOM 0 HA HIS A 72 -1.310 -15.629 -1.323 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.114 -16.989 -0.151 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -0.384 -16.699 0.712 1.00 0.00 H new ATOM 0 HD2 HIS A 72 0.276 -18.412 -2.837 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -2.366 -20.825 -0.571 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -1.110 -20.557 -2.822 1.00 0.00 H new ATOM 1004 N ARG A 73 1.019 -14.460 0.521 1.00 0.00 N ATOM 1005 CA ARG A 73 1.482 -13.295 1.254 1.00 0.00 C ATOM 1006 C ARG A 73 0.355 -12.270 1.390 1.00 0.00 C ATOM 1007 O ARG A 73 -0.819 -12.615 1.275 1.00 0.00 O ATOM 1008 CB ARG A 73 2.675 -12.642 0.553 1.00 0.00 C ATOM 1009 CG ARG A 73 3.882 -12.557 1.489 1.00 0.00 C ATOM 1010 CD ARG A 73 4.417 -13.950 1.821 1.00 0.00 C ATOM 1011 NE ARG A 73 5.864 -14.025 1.513 1.00 0.00 N ATOM 1012 CZ ARG A 73 6.832 -13.660 2.363 1.00 0.00 C ATOM 1013 NH1 ARG A 73 6.517 -13.194 3.579 1.00 0.00 N ATOM 1014 NH2 ARG A 73 8.118 -13.762 1.997 1.00 0.00 N ATOM 0 H ARG A 73 1.404 -15.348 0.843 1.00 0.00 H new ATOM 0 HA ARG A 73 1.794 -13.629 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.939 -13.217 -0.335 1.00 0.00 H new ATOM 0 HB3 ARG A 73 2.401 -11.642 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.668 -11.964 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 73 3.599 -12.044 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 73 4.250 -14.171 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.876 -14.702 1.248 1.00 0.00 H new ATOM 0 HE ARG A 73 6.140 -14.377 0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.539 -13.117 3.858 1.00 0.00 H new ATOM 0 HH12 ARG A 73 7.255 -12.916 4.226 1.00 0.00 H new ATOM 0 HH21 ARG A 73 8.358 -14.117 1.072 1.00 0.00 H new ATOM 0 HH22 ARG A 73 8.856 -13.484 2.644 1.00 0.00 H new ATOM 1025 N THR A 74 0.753 -11.029 1.632 1.00 0.00 N ATOM 1026 CA THR A 74 -0.210 -9.951 1.783 1.00 0.00 C ATOM 1027 C THR A 74 0.349 -8.651 1.202 1.00 0.00 C ATOM 1028 O THR A 74 -0.115 -7.564 1.544 1.00 0.00 O ATOM 1029 CB THR A 74 -0.572 -9.846 3.267 1.00 0.00 C ATOM 1030 OG1 THR A 74 0.651 -10.121 3.943 1.00 0.00 O ATOM 1031 CG2 THR A 74 -1.509 -10.967 3.722 1.00 0.00 C ATOM 0 H THR A 74 1.728 -10.746 1.727 1.00 0.00 H new ATOM 0 HA THR A 74 -1.123 -10.155 1.223 1.00 0.00 H new ATOM 0 HB THR A 74 -1.041 -8.881 3.458 1.00 0.00 H new ATOM 0 HG1 THR A 74 0.508 -10.072 4.911 1.00 0.00 H new ATOM 0 HG21 THR A 74 -1.734 -10.845 4.782 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.434 -10.924 3.147 1.00 0.00 H new ATOM 0 HG23 THR A 74 -1.027 -11.931 3.562 1.00 0.00 H new ATOM 1039 N SER A 75 1.336 -8.806 0.332 1.00 0.00 N ATOM 1040 CA SER A 75 1.962 -7.658 -0.302 1.00 0.00 C ATOM 1041 C SER A 75 2.686 -8.094 -1.576 1.00 0.00 C ATOM 1042 O SER A 75 2.710 -9.279 -1.908 1.00 0.00 O ATOM 1043 CB SER A 75 2.939 -6.967 0.654 1.00 0.00 C ATOM 1044 OG SER A 75 3.555 -7.891 1.547 1.00 0.00 O ATOM 0 H SER A 75 1.718 -9.709 0.051 1.00 0.00 H new ATOM 0 HA SER A 75 1.182 -6.943 -0.562 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.708 -6.453 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.409 -6.207 1.228 1.00 0.00 H new ATOM 0 HG SER A 75 4.172 -7.412 2.139 1.00 0.00 H new ATOM 1049 N ALA A 76 3.258 -7.113 -2.258 1.00 0.00 N ATOM 1050 CA ALA A 76 3.981 -7.380 -3.491 1.00 0.00 C ATOM 1051 C ALA A 76 4.928 -6.216 -3.784 1.00 0.00 C ATOM 1052 O ALA A 76 4.589 -5.058 -3.544 1.00 0.00 O ATOM 1053 CB ALA A 76 2.983 -7.621 -4.626 1.00 0.00 C ATOM 0 H ALA A 76 3.236 -6.132 -1.981 1.00 0.00 H new ATOM 0 HA ALA A 76 4.587 -8.281 -3.393 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.525 -7.821 -5.550 1.00 0.00 H new ATOM 0 HB2 ALA A 76 2.354 -8.477 -4.382 1.00 0.00 H new ATOM 0 HB3 ALA A 76 2.359 -6.737 -4.755 1.00 0.00 H new ATOM 1059 N THR A 77 6.099 -6.563 -4.300 1.00 0.00 N ATOM 1060 CA THR A 77 7.098 -5.561 -4.630 1.00 0.00 C ATOM 1061 C THR A 77 7.216 -5.402 -6.147 1.00 0.00 C ATOM 1062 O THR A 77 7.676 -6.312 -6.835 1.00 0.00 O ATOM 1063 CB THR A 77 8.411 -5.964 -3.957 1.00 0.00 C ATOM 1064 OG1 THR A 77 8.071 -6.095 -2.579 1.00 0.00 O ATOM 1065 CG2 THR A 77 9.450 -4.839 -3.978 1.00 0.00 C ATOM 0 H THR A 77 6.378 -7.524 -4.497 1.00 0.00 H new ATOM 0 HA THR A 77 6.811 -4.579 -4.255 1.00 0.00 H new ATOM 0 HB THR A 77 8.818 -6.844 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 77 8.866 -6.356 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 77 10.363 -5.178 -3.488 1.00 0.00 H new ATOM 0 HG22 THR A 77 9.672 -4.568 -5.010 1.00 0.00 H new ATOM 0 HG23 THR A 77 9.056 -3.970 -3.451 1.00 0.00 H new ATOM 1073 N ILE A 78 6.791 -4.241 -6.623 1.00 0.00 N ATOM 1074 CA ILE A 78 6.843 -3.953 -8.046 1.00 0.00 C ATOM 1075 C ILE A 78 8.252 -3.487 -8.417 1.00 0.00 C ATOM 1076 O ILE A 78 8.913 -2.812 -7.629 1.00 0.00 O ATOM 1077 CB ILE A 78 5.745 -2.959 -8.432 1.00 0.00 C ATOM 1078 CG1 ILE A 78 4.417 -3.325 -7.768 1.00 0.00 C ATOM 1079 CG2 ILE A 78 5.615 -2.849 -9.953 1.00 0.00 C ATOM 1080 CD1 ILE A 78 3.817 -4.584 -8.398 1.00 0.00 C ATOM 0 H ILE A 78 6.409 -3.489 -6.049 1.00 0.00 H new ATOM 0 HA ILE A 78 6.643 -4.855 -8.624 1.00 0.00 H new ATOM 0 HB ILE A 78 6.029 -1.974 -8.061 1.00 0.00 H new ATOM 0 HG12 ILE A 78 4.572 -3.486 -6.701 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.717 -2.496 -7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 78 4.828 -2.136 -10.200 1.00 0.00 H new ATOM 0 HG22 ILE A 78 6.560 -2.507 -10.375 1.00 0.00 H new ATOM 0 HG23 ILE A 78 5.364 -3.825 -10.368 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.873 -4.822 -7.907 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.641 -4.411 -9.460 1.00 0.00 H new ATOM 0 HD13 ILE A 78 4.509 -5.417 -8.276 1.00 0.00 H new ATOM 1091 N THR A 79 8.670 -3.865 -9.616 1.00 0.00 N ATOM 1092 CA THR A 79 9.989 -3.493 -10.100 1.00 0.00 C ATOM 1093 C THR A 79 9.894 -2.908 -11.511 1.00 0.00 C ATOM 1094 O THR A 79 8.801 -2.777 -12.060 1.00 0.00 O ATOM 1095 CB THR A 79 10.888 -4.728 -10.015 1.00 0.00 C ATOM 1096 OG1 THR A 79 10.039 -5.804 -10.401 1.00 0.00 O ATOM 1097 CG2 THR A 79 11.286 -5.064 -8.576 1.00 0.00 C ATOM 0 H THR A 79 8.119 -4.425 -10.267 1.00 0.00 H new ATOM 0 HA THR A 79 10.429 -2.708 -9.485 1.00 0.00 H new ATOM 0 HB THR A 79 11.786 -4.565 -10.611 1.00 0.00 H new ATOM 0 HG1 THR A 79 10.543 -6.644 -10.375 1.00 0.00 H new ATOM 0 HG21 THR A 79 11.923 -5.948 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 79 11.828 -4.224 -8.143 1.00 0.00 H new ATOM 0 HG23 THR A 79 10.390 -5.260 -7.987 1.00 0.00 H new ATOM 1105 N GLU A 80 11.053 -2.569 -12.055 1.00 0.00 N ATOM 1106 CA GLU A 80 11.115 -2.001 -13.391 1.00 0.00 C ATOM 1107 C GLU A 80 10.133 -0.834 -13.516 1.00 0.00 C ATOM 1108 O GLU A 80 9.166 -0.910 -14.274 1.00 0.00 O ATOM 1109 CB GLU A 80 10.840 -3.065 -14.454 1.00 0.00 C ATOM 1110 CG GLU A 80 12.009 -4.045 -14.565 1.00 0.00 C ATOM 1111 CD GLU A 80 11.526 -5.427 -15.011 1.00 0.00 C ATOM 1112 OE1 GLU A 80 10.860 -5.481 -16.067 1.00 0.00 O ATOM 1113 OE2 GLU A 80 11.836 -6.398 -14.286 1.00 0.00 O ATOM 0 H GLU A 80 11.957 -2.677 -11.595 1.00 0.00 H new ATOM 0 HA GLU A 80 12.124 -1.623 -13.557 1.00 0.00 H new ATOM 0 HB2 GLU A 80 9.929 -3.608 -14.203 1.00 0.00 H new ATOM 0 HB3 GLU A 80 10.670 -2.585 -15.418 1.00 0.00 H new ATOM 0 HG2 GLU A 80 12.741 -3.664 -15.277 1.00 0.00 H new ATOM 0 HG3 GLU A 80 12.513 -4.125 -13.602 1.00 0.00 H new ATOM 1118 N LEU A 81 10.414 0.218 -12.763 1.00 0.00 N ATOM 1119 CA LEU A 81 9.567 1.400 -12.779 1.00 0.00 C ATOM 1120 C LEU A 81 10.397 2.609 -13.216 1.00 0.00 C ATOM 1121 O LEU A 81 11.603 2.656 -12.983 1.00 0.00 O ATOM 1122 CB LEU A 81 8.876 1.583 -11.428 1.00 0.00 C ATOM 1123 CG LEU A 81 7.896 0.481 -11.021 1.00 0.00 C ATOM 1124 CD1 LEU A 81 7.575 0.557 -9.526 1.00 0.00 C ATOM 1125 CD2 LEU A 81 6.631 0.527 -11.881 1.00 0.00 C ATOM 0 H LEU A 81 11.217 0.278 -12.137 1.00 0.00 H new ATOM 0 HA LEU A 81 8.764 1.284 -13.507 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.643 1.662 -10.658 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.340 2.532 -11.442 1.00 0.00 H new ATOM 0 HG LEU A 81 8.373 -0.483 -11.200 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.876 -0.237 -9.263 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.493 0.438 -8.950 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.127 1.524 -9.299 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.951 -0.267 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.142 1.493 -11.757 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.898 0.388 -12.929 1.00 0.00 H new ATOM 1136 N VAL A 82 9.716 3.558 -13.841 1.00 0.00 N ATOM 1137 CA VAL A 82 10.374 4.765 -14.312 1.00 0.00 C ATOM 1138 C VAL A 82 10.107 5.905 -13.327 1.00 0.00 C ATOM 1139 O VAL A 82 8.970 6.112 -12.906 1.00 0.00 O ATOM 1140 CB VAL A 82 9.919 5.088 -15.736 1.00 0.00 C ATOM 1141 CG1 VAL A 82 10.422 6.466 -16.174 1.00 0.00 C ATOM 1142 CG2 VAL A 82 10.370 4.003 -16.716 1.00 0.00 C ATOM 0 H VAL A 82 8.715 3.516 -14.032 1.00 0.00 H new ATOM 0 HA VAL A 82 11.453 4.618 -14.355 1.00 0.00 H new ATOM 0 HB VAL A 82 8.829 5.112 -15.741 1.00 0.00 H new ATOM 0 HG11 VAL A 82 10.084 6.671 -17.190 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.029 7.228 -15.501 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.511 6.482 -16.144 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.033 4.258 -17.721 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.458 3.932 -16.705 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.941 3.045 -16.421 1.00 0.00 H new ATOM 1152 N ILE A 83 11.174 6.612 -12.986 1.00 0.00 N ATOM 1153 CA ILE A 83 11.069 7.724 -12.057 1.00 0.00 C ATOM 1154 C ILE A 83 10.373 8.897 -12.750 1.00 0.00 C ATOM 1155 O ILE A 83 10.557 9.114 -13.947 1.00 0.00 O ATOM 1156 CB ILE A 83 12.445 8.077 -11.485 1.00 0.00 C ATOM 1157 CG1 ILE A 83 12.969 6.953 -10.588 1.00 0.00 C ATOM 1158 CG2 ILE A 83 12.408 9.422 -10.757 1.00 0.00 C ATOM 1159 CD1 ILE A 83 14.447 7.164 -10.253 1.00 0.00 C ATOM 0 H ILE A 83 12.116 6.436 -13.336 1.00 0.00 H new ATOM 0 HA ILE A 83 10.454 7.448 -11.200 1.00 0.00 H new ATOM 0 HB ILE A 83 13.144 8.180 -12.315 1.00 0.00 H new ATOM 0 HG12 ILE A 83 12.386 6.915 -9.668 1.00 0.00 H new ATOM 0 HG13 ILE A 83 12.839 5.993 -11.088 1.00 0.00 H new ATOM 0 HG21 ILE A 83 13.398 9.648 -10.361 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.108 10.205 -11.454 1.00 0.00 H new ATOM 0 HG23 ILE A 83 11.691 9.372 -9.937 1.00 0.00 H new ATOM 0 HD11 ILE A 83 14.795 6.352 -9.615 1.00 0.00 H new ATOM 0 HD12 ILE A 83 15.030 7.177 -11.174 1.00 0.00 H new ATOM 0 HD13 ILE A 83 14.570 8.113 -9.732 1.00 0.00 H new ATOM 1170 N GLY A 84 9.587 9.623 -11.968 1.00 0.00 N ATOM 1171 CA GLY A 84 8.863 10.769 -12.491 1.00 0.00 C ATOM 1172 C GLY A 84 7.579 10.329 -13.197 1.00 0.00 C ATOM 1173 O GLY A 84 7.287 10.783 -14.303 1.00 0.00 O ATOM 0 H GLY A 84 9.436 9.440 -10.976 1.00 0.00 H new ATOM 0 HA2 GLY A 84 8.619 11.452 -11.677 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.497 11.317 -13.188 1.00 0.00 H new ATOM 1177 N ASN A 85 6.845 9.450 -12.528 1.00 0.00 N ATOM 1178 CA ASN A 85 5.599 8.944 -13.078 1.00 0.00 C ATOM 1179 C ASN A 85 4.829 8.202 -11.984 1.00 0.00 C ATOM 1180 O ASN A 85 5.399 7.839 -10.956 1.00 0.00 O ATOM 1181 CB ASN A 85 5.859 7.963 -14.222 1.00 0.00 C ATOM 1182 CG ASN A 85 5.924 8.692 -15.566 1.00 0.00 C ATOM 1183 OD1 ASN A 85 5.127 9.567 -15.865 1.00 0.00 O ATOM 1184 ND2 ASN A 85 6.911 8.283 -16.356 1.00 0.00 N ATOM 0 H ASN A 85 7.090 9.076 -11.611 1.00 0.00 H new ATOM 0 HA ASN A 85 5.028 9.792 -13.455 1.00 0.00 H new ATOM 0 HB2 ASN A 85 6.795 7.433 -14.046 1.00 0.00 H new ATOM 0 HB3 ASN A 85 5.069 7.213 -14.249 1.00 0.00 H new ATOM 0 HD21 ASN A 85 7.037 8.706 -17.275 1.00 0.00 H new ATOM 0 HD22 ASN A 85 7.542 7.546 -16.043 1.00 0.00 H new ATOM 1190 N GLU A 86 3.545 7.998 -12.243 1.00 0.00 N ATOM 1191 CA GLU A 86 2.691 7.306 -11.293 1.00 0.00 C ATOM 1192 C GLU A 86 2.148 6.016 -11.910 1.00 0.00 C ATOM 1193 O GLU A 86 1.932 5.945 -13.119 1.00 0.00 O ATOM 1194 CB GLU A 86 1.552 8.210 -10.820 1.00 0.00 C ATOM 1195 CG GLU A 86 0.602 8.545 -11.971 1.00 0.00 C ATOM 1196 CD GLU A 86 1.110 9.748 -12.768 1.00 0.00 C ATOM 1197 OE1 GLU A 86 1.148 10.847 -12.173 1.00 0.00 O ATOM 1198 OE2 GLU A 86 1.447 9.543 -13.954 1.00 0.00 O ATOM 0 H GLU A 86 3.076 8.300 -13.097 1.00 0.00 H new ATOM 0 HA GLU A 86 3.289 7.044 -10.420 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.000 7.716 -10.020 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.962 9.130 -10.403 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.505 7.682 -12.630 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.392 8.759 -11.577 1.00 0.00 H new ATOM 1203 N TYR A 87 1.942 5.027 -11.052 1.00 0.00 N ATOM 1204 CA TYR A 87 1.428 3.744 -11.498 1.00 0.00 C ATOM 1205 C TYR A 87 0.299 3.258 -10.586 1.00 0.00 C ATOM 1206 O TYR A 87 0.203 3.678 -9.434 1.00 0.00 O ATOM 1207 CB TYR A 87 2.599 2.765 -11.405 1.00 0.00 C ATOM 1208 CG TYR A 87 3.797 3.144 -12.277 1.00 0.00 C ATOM 1209 CD1 TYR A 87 4.623 4.184 -11.902 1.00 0.00 C ATOM 1210 CD2 TYR A 87 4.053 2.445 -13.440 1.00 0.00 C ATOM 1211 CE1 TYR A 87 5.751 4.541 -12.723 1.00 0.00 C ATOM 1212 CE2 TYR A 87 5.181 2.801 -14.261 1.00 0.00 C ATOM 1213 CZ TYR A 87 5.974 3.832 -13.862 1.00 0.00 C ATOM 1214 OH TYR A 87 7.040 4.168 -14.637 1.00 0.00 O ATOM 0 H TYR A 87 2.122 5.089 -10.050 1.00 0.00 H new ATOM 0 HA TYR A 87 1.027 3.822 -12.509 1.00 0.00 H new ATOM 0 HB2 TYR A 87 2.924 2.701 -10.367 1.00 0.00 H new ATOM 0 HB3 TYR A 87 2.253 1.772 -11.692 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.423 4.731 -10.992 1.00 0.00 H new ATOM 0 HD2 TYR A 87 3.407 1.631 -13.734 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.405 5.353 -12.441 1.00 0.00 H new ATOM 0 HE2 TYR A 87 5.393 2.262 -15.173 1.00 0.00 H new ATOM 0 HH TYR A 87 6.736 4.714 -15.392 1.00 0.00 H new ATOM 1223 N TYR A 88 -0.527 2.381 -11.137 1.00 0.00 N ATOM 1224 CA TYR A 88 -1.646 1.834 -10.387 1.00 0.00 C ATOM 1225 C TYR A 88 -1.408 0.361 -10.045 1.00 0.00 C ATOM 1226 O TYR A 88 -0.596 -0.304 -10.684 1.00 0.00 O ATOM 1227 CB TYR A 88 -2.863 1.942 -11.308 1.00 0.00 C ATOM 1228 CG TYR A 88 -3.520 3.323 -11.311 1.00 0.00 C ATOM 1229 CD1 TYR A 88 -3.899 3.910 -10.122 1.00 0.00 C ATOM 1230 CD2 TYR A 88 -3.733 3.983 -12.505 1.00 0.00 C ATOM 1231 CE1 TYR A 88 -4.517 5.212 -10.126 1.00 0.00 C ATOM 1232 CE2 TYR A 88 -4.351 5.283 -12.509 1.00 0.00 C ATOM 1233 CZ TYR A 88 -4.712 5.834 -11.319 1.00 0.00 C ATOM 1234 OH TYR A 88 -5.296 7.062 -11.322 1.00 0.00 O ATOM 0 H TYR A 88 -0.444 2.036 -12.093 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.782 2.374 -9.450 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -2.559 1.693 -12.325 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -3.602 1.200 -11.005 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -3.733 3.394 -9.188 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -3.436 3.524 -13.436 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -4.818 5.683 -9.202 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -4.524 5.809 -13.436 1.00 0.00 H new ATOM 0 HH TYR A 88 -5.371 7.386 -12.244 1.00 0.00 H new ATOM 1243 N PHE A 89 -2.133 -0.103 -9.038 1.00 0.00 N ATOM 1244 CA PHE A 89 -2.012 -1.484 -8.603 1.00 0.00 C ATOM 1245 C PHE A 89 -3.334 -1.996 -8.027 1.00 0.00 C ATOM 1246 O PHE A 89 -3.980 -1.305 -7.241 1.00 0.00 O ATOM 1247 CB PHE A 89 -0.945 -1.516 -7.507 1.00 0.00 C ATOM 1248 CG PHE A 89 0.355 -0.802 -7.883 1.00 0.00 C ATOM 1249 CD1 PHE A 89 1.288 -1.440 -8.639 1.00 0.00 C ATOM 1250 CD2 PHE A 89 0.577 0.472 -7.460 1.00 0.00 C ATOM 1251 CE1 PHE A 89 2.494 -0.777 -8.987 1.00 0.00 C ATOM 1252 CE2 PHE A 89 1.783 1.135 -7.809 1.00 0.00 C ATOM 1253 CZ PHE A 89 2.716 0.497 -8.564 1.00 0.00 C ATOM 0 H PHE A 89 -2.806 0.453 -8.511 1.00 0.00 H new ATOM 0 HA PHE A 89 -1.746 -2.118 -9.449 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -1.351 -1.058 -6.605 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -0.720 -2.554 -7.264 1.00 0.00 H new ATOM 0 HD1 PHE A 89 1.111 -2.451 -8.975 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -0.164 0.979 -6.859 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.235 -1.284 -9.587 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.959 2.147 -7.474 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.634 1.001 -8.828 1.00 0.00 H new ATOM 1262 N ARG A 90 -3.695 -3.201 -8.441 1.00 0.00 N ATOM 1263 CA ARG A 90 -4.929 -3.813 -7.976 1.00 0.00 C ATOM 1264 C ARG A 90 -4.702 -5.293 -7.663 1.00 0.00 C ATOM 1265 O ARG A 90 -4.134 -6.023 -8.474 1.00 0.00 O ATOM 1266 CB ARG A 90 -6.037 -3.685 -9.023 1.00 0.00 C ATOM 1267 CG ARG A 90 -5.849 -4.705 -10.148 1.00 0.00 C ATOM 1268 CD ARG A 90 -6.888 -4.501 -11.252 1.00 0.00 C ATOM 1269 NE ARG A 90 -6.647 -5.458 -12.356 1.00 0.00 N ATOM 1270 CZ ARG A 90 -7.342 -5.474 -13.502 1.00 0.00 C ATOM 1271 NH1 ARG A 90 -8.325 -4.585 -13.701 1.00 0.00 N ATOM 1272 NH2 ARG A 90 -7.055 -6.378 -14.448 1.00 0.00 N ATOM 0 H ARG A 90 -3.155 -3.770 -9.093 1.00 0.00 H new ATOM 0 HA ARG A 90 -5.238 -3.289 -7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -7.008 -3.834 -8.550 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -6.036 -2.677 -9.437 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -4.846 -4.611 -10.565 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.934 -5.715 -9.746 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.891 -4.642 -10.850 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.836 -3.479 -11.628 1.00 0.00 H new ATOM 0 HE ARG A 90 -5.906 -6.148 -12.237 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.544 -3.897 -12.981 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.854 -4.597 -14.573 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -6.307 -7.055 -14.296 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.584 -6.390 -15.320 1.00 0.00 H new ATOM 1283 N VAL A 91 -5.155 -5.693 -6.484 1.00 0.00 N ATOM 1284 CA VAL A 91 -5.009 -7.072 -6.053 1.00 0.00 C ATOM 1285 C VAL A 91 -6.336 -7.807 -6.251 1.00 0.00 C ATOM 1286 O VAL A 91 -7.384 -7.332 -5.817 1.00 0.00 O ATOM 1287 CB VAL A 91 -4.508 -7.119 -4.608 1.00 0.00 C ATOM 1288 CG1 VAL A 91 -4.465 -8.559 -4.089 1.00 0.00 C ATOM 1289 CG2 VAL A 91 -3.140 -6.449 -4.479 1.00 0.00 C ATOM 0 H VAL A 91 -5.624 -5.085 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.261 -7.584 -6.658 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.213 -6.561 -3.991 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.105 -8.564 -3.060 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.466 -8.989 -4.126 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -3.793 -9.150 -4.711 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -2.808 -6.497 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -2.421 -6.965 -5.115 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -3.215 -5.407 -4.788 1.00 0.00 H new ATOM 1299 N PHE A 92 -6.247 -8.957 -6.905 1.00 0.00 N ATOM 1300 CA PHE A 92 -7.428 -9.762 -7.165 1.00 0.00 C ATOM 1301 C PHE A 92 -7.473 -10.982 -6.243 1.00 0.00 C ATOM 1302 O PHE A 92 -6.536 -11.226 -5.485 1.00 0.00 O ATOM 1303 CB PHE A 92 -7.334 -10.238 -8.617 1.00 0.00 C ATOM 1304 CG PHE A 92 -8.047 -9.328 -9.618 1.00 0.00 C ATOM 1305 CD1 PHE A 92 -9.311 -8.895 -9.363 1.00 0.00 C ATOM 1306 CD2 PHE A 92 -7.417 -8.950 -10.763 1.00 0.00 C ATOM 1307 CE1 PHE A 92 -9.973 -8.049 -10.292 1.00 0.00 C ATOM 1308 CE2 PHE A 92 -8.079 -8.105 -11.692 1.00 0.00 C ATOM 1309 CZ PHE A 92 -9.343 -7.671 -11.437 1.00 0.00 C ATOM 0 H PHE A 92 -5.376 -9.349 -7.262 1.00 0.00 H new ATOM 0 HA PHE A 92 -8.327 -9.172 -6.987 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -6.283 -10.315 -8.896 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.757 -11.240 -8.688 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.811 -9.195 -8.454 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.413 -9.293 -10.965 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.977 -7.706 -10.089 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -7.579 -7.807 -12.602 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.846 -7.027 -12.143 1.00 0.00 H new ATOM 1318 N SER A 93 -8.573 -11.715 -6.338 1.00 0.00 N ATOM 1319 CA SER A 93 -8.754 -12.903 -5.522 1.00 0.00 C ATOM 1320 C SER A 93 -8.921 -14.133 -6.417 1.00 0.00 C ATOM 1321 O SER A 93 -9.854 -14.203 -7.215 1.00 0.00 O ATOM 1322 CB SER A 93 -9.960 -12.755 -4.593 1.00 0.00 C ATOM 1323 OG SER A 93 -9.746 -11.762 -3.594 1.00 0.00 O ATOM 0 H SER A 93 -9.348 -11.509 -6.968 1.00 0.00 H new ATOM 0 HA SER A 93 -7.866 -13.030 -4.903 1.00 0.00 H new ATOM 0 HB2 SER A 93 -10.840 -12.494 -5.181 1.00 0.00 H new ATOM 0 HB3 SER A 93 -10.168 -13.712 -4.114 1.00 0.00 H new ATOM 0 HG SER A 93 -10.448 -11.826 -2.913 1.00 0.00 H new ATOM 1328 N GLU A 94 -8.001 -15.072 -6.255 1.00 0.00 N ATOM 1329 CA GLU A 94 -8.034 -16.295 -7.038 1.00 0.00 C ATOM 1330 C GLU A 94 -8.307 -17.498 -6.133 1.00 0.00 C ATOM 1331 O GLU A 94 -8.343 -17.365 -4.911 1.00 0.00 O ATOM 1332 CB GLU A 94 -6.732 -16.482 -7.819 1.00 0.00 C ATOM 1333 CG GLU A 94 -6.816 -15.813 -9.193 1.00 0.00 C ATOM 1334 CD GLU A 94 -6.908 -16.857 -10.307 1.00 0.00 C ATOM 1335 OE1 GLU A 94 -7.840 -17.688 -10.231 1.00 0.00 O ATOM 1336 OE2 GLU A 94 -6.044 -16.803 -11.209 1.00 0.00 O ATOM 0 H GLU A 94 -7.228 -15.010 -5.593 1.00 0.00 H new ATOM 0 HA GLU A 94 -8.846 -16.217 -7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.901 -16.059 -7.255 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -6.526 -17.545 -7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -7.687 -15.159 -9.230 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -5.939 -15.185 -9.350 1.00 0.00 H new ATOM 1341 N ASN A 95 -8.494 -18.646 -6.768 1.00 0.00 N ATOM 1342 CA ASN A 95 -8.763 -19.872 -6.035 1.00 0.00 C ATOM 1343 C ASN A 95 -9.120 -20.984 -7.023 1.00 0.00 C ATOM 1344 O ASN A 95 -8.327 -21.895 -7.252 1.00 0.00 O ATOM 1345 CB ASN A 95 -9.941 -19.693 -5.077 1.00 0.00 C ATOM 1346 CG ASN A 95 -10.405 -21.041 -4.520 1.00 0.00 C ATOM 1347 OD1 ASN A 95 -11.497 -20.968 -3.765 1.00 0.00 O flip ATOM 1348 ND2 ASN A 95 -9.809 -22.078 -4.760 1.00 0.00 N flip ATOM 0 H ASN A 95 -8.465 -18.753 -7.782 1.00 0.00 H new ATOM 0 HA ASN A 95 -7.870 -20.127 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -9.650 -19.037 -4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -10.766 -19.207 -5.597 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -8.976 -22.063 -5.348 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -10.144 -22.960 -4.372 1.00 0.00 H new ATOM 1354 N MET A 96 -10.316 -20.872 -7.583 1.00 0.00 N ATOM 1355 CA MET A 96 -10.790 -21.857 -8.541 1.00 0.00 C ATOM 1356 C MET A 96 -11.707 -21.212 -9.582 1.00 0.00 C ATOM 1357 O MET A 96 -11.592 -21.491 -10.774 1.00 0.00 O ATOM 1358 CB MET A 96 -11.549 -22.962 -7.805 1.00 0.00 C ATOM 1359 CG MET A 96 -12.306 -22.399 -6.601 1.00 0.00 C ATOM 1360 SD MET A 96 -13.977 -23.026 -6.584 1.00 0.00 S ATOM 1361 CE MET A 96 -14.282 -23.047 -4.825 1.00 0.00 C ATOM 0 H MET A 96 -10.971 -20.114 -7.392 1.00 0.00 H new ATOM 0 HA MET A 96 -9.927 -22.279 -9.057 1.00 0.00 H new ATOM 0 HB2 MET A 96 -12.250 -23.443 -8.487 1.00 0.00 H new ATOM 0 HB3 MET A 96 -10.850 -23.729 -7.473 1.00 0.00 H new ATOM 0 HG2 MET A 96 -11.796 -22.675 -5.678 1.00 0.00 H new ATOM 0 HG3 MET A 96 -12.318 -21.310 -6.645 1.00 0.00 H new ATOM 0 HE1 MET A 96 -14.608 -24.043 -4.524 1.00 0.00 H new ATOM 0 HE2 MET A 96 -13.366 -22.789 -4.294 1.00 0.00 H new ATOM 0 HE3 MET A 96 -15.059 -22.322 -4.582 1.00 0.00 H new ATOM 1369 N CYS A 97 -12.598 -20.362 -9.092 1.00 0.00 N ATOM 1370 CA CYS A 97 -13.535 -19.675 -9.965 1.00 0.00 C ATOM 1371 C CYS A 97 -12.736 -18.847 -10.972 1.00 0.00 C ATOM 1372 O CYS A 97 -12.853 -19.049 -12.179 1.00 0.00 O ATOM 1373 CB CYS A 97 -14.520 -18.814 -9.171 1.00 0.00 C ATOM 1374 SG CYS A 97 -15.973 -19.813 -8.683 1.00 0.00 S ATOM 0 H CYS A 97 -12.691 -20.134 -8.102 1.00 0.00 H new ATOM 0 HA CYS A 97 -14.142 -20.406 -10.499 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -14.031 -18.411 -8.284 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -14.839 -17.963 -9.773 1.00 0.00 H new ATOM 0 HG CYS A 97 -16.801 -19.073 -8.008 1.00 0.00 H new ATOM 1379 N GLY A 98 -11.941 -17.931 -10.439 1.00 0.00 N ATOM 1380 CA GLY A 98 -11.121 -17.071 -11.275 1.00 0.00 C ATOM 1381 C GLY A 98 -10.740 -15.787 -10.536 1.00 0.00 C ATOM 1382 O GLY A 98 -10.232 -15.838 -9.417 1.00 0.00 O ATOM 0 H GLY A 98 -11.847 -17.766 -9.437 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.218 -17.603 -11.575 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -11.662 -16.822 -12.188 1.00 0.00 H new ATOM 1386 N LEU A 99 -11.003 -14.665 -11.190 1.00 0.00 N ATOM 1387 CA LEU A 99 -10.694 -13.370 -10.609 1.00 0.00 C ATOM 1388 C LEU A 99 -11.980 -12.738 -10.072 1.00 0.00 C ATOM 1389 O LEU A 99 -13.076 -13.079 -10.515 1.00 0.00 O ATOM 1390 CB LEU A 99 -9.952 -12.492 -11.619 1.00 0.00 C ATOM 1391 CG LEU A 99 -8.570 -12.988 -12.051 1.00 0.00 C ATOM 1392 CD1 LEU A 99 -7.575 -12.915 -10.892 1.00 0.00 C ATOM 1393 CD2 LEU A 99 -8.654 -14.395 -12.647 1.00 0.00 C ATOM 0 H LEU A 99 -11.427 -14.626 -12.117 1.00 0.00 H new ATOM 0 HA LEU A 99 -10.016 -13.484 -9.763 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -10.574 -12.390 -12.508 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -9.841 -11.495 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.200 -12.328 -12.835 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -6.601 -13.273 -11.226 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -7.486 -11.883 -10.554 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -7.928 -13.537 -10.070 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -7.659 -14.724 -12.946 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -9.055 -15.082 -11.902 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -9.309 -14.383 -13.518 1.00 0.00 H new ATOM 1404 N SER A 100 -11.803 -11.827 -9.126 1.00 0.00 N ATOM 1405 CA SER A 100 -12.935 -11.144 -8.524 1.00 0.00 C ATOM 1406 C SER A 100 -13.519 -10.131 -9.511 1.00 0.00 C ATOM 1407 O SER A 100 -12.789 -9.536 -10.301 1.00 0.00 O ATOM 1408 CB SER A 100 -12.529 -10.446 -7.225 1.00 0.00 C ATOM 1409 OG SER A 100 -11.786 -9.255 -7.467 1.00 0.00 O ATOM 0 H SER A 100 -10.893 -11.546 -8.762 1.00 0.00 H new ATOM 0 HA SER A 100 -13.695 -11.887 -8.283 1.00 0.00 H new ATOM 0 HB2 SER A 100 -13.422 -10.205 -6.649 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.933 -11.128 -6.618 1.00 0.00 H new ATOM 0 HG SER A 100 -12.379 -8.478 -7.391 1.00 0.00 H new ATOM 1414 N GLU A 101 -14.831 -9.966 -9.432 1.00 0.00 N ATOM 1415 CA GLU A 101 -15.523 -9.035 -10.307 1.00 0.00 C ATOM 1416 C GLU A 101 -14.934 -7.630 -10.159 1.00 0.00 C ATOM 1417 O GLU A 101 -14.883 -6.870 -11.125 1.00 0.00 O ATOM 1418 CB GLU A 101 -17.027 -9.031 -10.026 1.00 0.00 C ATOM 1419 CG GLU A 101 -17.793 -9.751 -11.137 1.00 0.00 C ATOM 1420 CD GLU A 101 -19.015 -8.941 -11.575 1.00 0.00 C ATOM 1421 OE1 GLU A 101 -18.804 -7.928 -12.275 1.00 0.00 O ATOM 1422 OE2 GLU A 101 -20.133 -9.353 -11.198 1.00 0.00 O ATOM 0 H GLU A 101 -15.434 -10.462 -8.775 1.00 0.00 H new ATOM 0 HA GLU A 101 -15.381 -9.362 -11.337 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -17.223 -9.517 -9.070 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -17.382 -8.004 -9.941 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -17.135 -9.914 -11.991 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -18.110 -10.734 -10.787 1.00 0.00 H new ATOM 1427 N ASP A 102 -14.504 -7.328 -8.943 1.00 0.00 N ATOM 1428 CA ASP A 102 -13.921 -6.029 -8.657 1.00 0.00 C ATOM 1429 C ASP A 102 -12.725 -6.207 -7.719 1.00 0.00 C ATOM 1430 O ASP A 102 -12.709 -7.118 -6.894 1.00 0.00 O ATOM 1431 CB ASP A 102 -14.931 -5.111 -7.965 1.00 0.00 C ATOM 1432 CG ASP A 102 -15.967 -5.829 -7.097 1.00 0.00 C ATOM 1433 OD1 ASP A 102 -16.622 -6.747 -7.636 1.00 0.00 O ATOM 1434 OD2 ASP A 102 -16.081 -5.443 -5.913 1.00 0.00 O ATOM 0 H ASP A 102 -14.548 -7.961 -8.144 1.00 0.00 H new ATOM 0 HA ASP A 102 -13.616 -5.581 -9.603 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -14.387 -4.401 -7.343 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -15.455 -4.532 -8.726 1.00 0.00 H new ATOM 1438 N ALA A 103 -11.752 -5.321 -7.879 1.00 0.00 N ATOM 1439 CA ALA A 103 -10.554 -5.369 -7.057 1.00 0.00 C ATOM 1440 C ALA A 103 -10.414 -4.052 -6.290 1.00 0.00 C ATOM 1441 O ALA A 103 -10.917 -3.018 -6.728 1.00 0.00 O ATOM 1442 CB ALA A 103 -9.339 -5.661 -7.940 1.00 0.00 C ATOM 0 H ALA A 103 -11.769 -4.566 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 103 -10.624 -6.172 -6.324 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -8.441 -5.697 -7.323 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.474 -6.620 -8.440 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -9.235 -4.874 -8.687 1.00 0.00 H new ATOM 1448 N THR A 104 -9.729 -4.133 -5.160 1.00 0.00 N ATOM 1449 CA THR A 104 -9.516 -2.961 -4.328 1.00 0.00 C ATOM 1450 C THR A 104 -8.233 -2.238 -4.743 1.00 0.00 C ATOM 1451 O THR A 104 -7.136 -2.639 -4.354 1.00 0.00 O ATOM 1452 CB THR A 104 -9.514 -3.412 -2.866 1.00 0.00 C ATOM 1453 OG1 THR A 104 -10.891 -3.623 -2.566 1.00 0.00 O ATOM 1454 CG2 THR A 104 -9.090 -2.295 -1.909 1.00 0.00 C ATOM 0 H THR A 104 -9.314 -4.992 -4.800 1.00 0.00 H new ATOM 0 HA THR A 104 -10.318 -2.234 -4.457 1.00 0.00 H new ATOM 0 HB THR A 104 -8.843 -4.263 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 104 -10.970 -4.243 -1.812 1.00 0.00 H new ATOM 0 HG21 THR A 104 -9.106 -2.668 -0.885 1.00 0.00 H new ATOM 0 HG22 THR A 104 -8.082 -1.964 -2.159 1.00 0.00 H new ATOM 0 HG23 THR A 104 -9.780 -1.456 -2.000 1.00 0.00 H new ATOM 1462 N MET A 105 -8.411 -1.186 -5.528 1.00 0.00 N ATOM 1463 CA MET A 105 -7.282 -0.403 -6.000 1.00 0.00 C ATOM 1464 C MET A 105 -6.833 0.606 -4.941 1.00 0.00 C ATOM 1465 O MET A 105 -7.635 1.047 -4.119 1.00 0.00 O ATOM 1466 CB MET A 105 -7.673 0.339 -7.279 1.00 0.00 C ATOM 1467 CG MET A 105 -6.467 0.506 -8.206 1.00 0.00 C ATOM 1468 SD MET A 105 -7.008 0.565 -9.906 1.00 0.00 S ATOM 1469 CE MET A 105 -6.634 2.268 -10.291 1.00 0.00 C ATOM 0 H MET A 105 -9.321 -0.857 -5.849 1.00 0.00 H new ATOM 0 HA MET A 105 -6.453 -1.082 -6.203 1.00 0.00 H new ATOM 0 HB2 MET A 105 -8.460 -0.210 -7.796 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.080 1.318 -7.026 1.00 0.00 H new ATOM 0 HG2 MET A 105 -5.929 1.420 -7.955 1.00 0.00 H new ATOM 0 HG3 MET A 105 -5.772 -0.322 -8.065 1.00 0.00 H new ATOM 0 HE1 MET A 105 -7.562 2.831 -10.388 1.00 0.00 H new ATOM 0 HE2 MET A 105 -6.031 2.698 -9.491 1.00 0.00 H new ATOM 0 HE3 MET A 105 -6.081 2.316 -11.229 1.00 0.00 H new ATOM 1477 N THR A 106 -5.552 0.942 -4.994 1.00 0.00 N ATOM 1478 CA THR A 106 -4.987 1.891 -4.051 1.00 0.00 C ATOM 1479 C THR A 106 -5.703 3.239 -4.157 1.00 0.00 C ATOM 1480 O THR A 106 -5.749 3.838 -5.230 1.00 0.00 O ATOM 1481 CB THR A 106 -3.483 1.979 -4.312 1.00 0.00 C ATOM 1482 OG1 THR A 106 -3.390 2.359 -5.682 1.00 0.00 O ATOM 1483 CG2 THR A 106 -2.797 0.612 -4.257 1.00 0.00 C ATOM 0 H THR A 106 -4.889 0.573 -5.676 1.00 0.00 H new ATOM 0 HA THR A 106 -5.133 1.561 -3.022 1.00 0.00 H new ATOM 0 HB THR A 106 -3.026 2.644 -3.579 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.872 3.187 -5.757 1.00 0.00 H new ATOM 0 HG21 THR A 106 -1.731 0.732 -4.449 1.00 0.00 H new ATOM 0 HG22 THR A 106 -2.941 0.172 -3.270 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.230 -0.043 -5.013 1.00 0.00 H new ATOM 1491 N LYS A 107 -6.243 3.677 -3.030 1.00 0.00 N ATOM 1492 CA LYS A 107 -6.954 4.944 -2.982 1.00 0.00 C ATOM 1493 C LYS A 107 -6.201 5.978 -3.822 1.00 0.00 C ATOM 1494 O LYS A 107 -6.812 6.874 -4.403 1.00 0.00 O ATOM 1495 CB LYS A 107 -7.182 5.377 -1.533 1.00 0.00 C ATOM 1496 CG LYS A 107 -8.670 5.357 -1.181 1.00 0.00 C ATOM 1497 CD LYS A 107 -9.272 6.762 -1.262 1.00 0.00 C ATOM 1498 CE LYS A 107 -10.681 6.789 -0.667 1.00 0.00 C ATOM 1499 NZ LYS A 107 -11.364 8.056 -1.013 1.00 0.00 N ATOM 0 H LYS A 107 -6.203 3.177 -2.142 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.947 4.840 -3.418 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.637 4.713 -0.862 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -6.783 6.380 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.200 4.691 -1.862 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.804 4.957 -0.176 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.634 7.466 -0.728 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.306 7.088 -2.302 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -11.257 5.944 -1.043 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -10.627 6.682 0.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -12.319 8.059 -0.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.821 8.858 -0.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -11.432 8.143 -2.047 1.00 0.00 H new ATOM 1509 N GLU A 108 -4.887 5.818 -3.860 1.00 0.00 N ATOM 1510 CA GLU A 108 -4.045 6.727 -4.620 1.00 0.00 C ATOM 1511 C GLU A 108 -2.930 5.952 -5.325 1.00 0.00 C ATOM 1512 O GLU A 108 -2.678 4.791 -5.007 1.00 0.00 O ATOM 1513 CB GLU A 108 -3.468 7.821 -3.720 1.00 0.00 C ATOM 1514 CG GLU A 108 -4.544 8.840 -3.338 1.00 0.00 C ATOM 1515 CD GLU A 108 -4.339 9.342 -1.907 1.00 0.00 C ATOM 1516 OE1 GLU A 108 -4.034 8.491 -1.044 1.00 0.00 O ATOM 1517 OE2 GLU A 108 -4.490 10.567 -1.709 1.00 0.00 O ATOM 0 H GLU A 108 -4.384 5.073 -3.377 1.00 0.00 H new ATOM 0 HA GLU A 108 -4.659 7.213 -5.378 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -3.050 7.373 -2.819 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -2.650 8.326 -4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -4.515 9.682 -4.030 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -5.530 8.385 -3.430 1.00 0.00 H new ATOM 1522 N SER A 109 -2.291 6.626 -6.270 1.00 0.00 N ATOM 1523 CA SER A 109 -1.209 6.016 -7.023 1.00 0.00 C ATOM 1524 C SER A 109 0.120 6.226 -6.293 1.00 0.00 C ATOM 1525 O SER A 109 0.201 7.024 -5.361 1.00 0.00 O ATOM 1526 CB SER A 109 -1.131 6.588 -8.440 1.00 0.00 C ATOM 1527 OG SER A 109 -1.193 8.012 -8.445 1.00 0.00 O ATOM 0 H SER A 109 -2.502 7.589 -6.531 1.00 0.00 H new ATOM 0 HA SER A 109 -1.409 4.947 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 109 -0.203 6.264 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 109 -1.949 6.187 -9.038 1.00 0.00 H new ATOM 0 HG SER A 109 -1.138 8.339 -9.367 1.00 0.00 H new ATOM 1532 N ALA A 110 1.129 5.496 -6.745 1.00 0.00 N ATOM 1533 CA ALA A 110 2.449 5.592 -6.147 1.00 0.00 C ATOM 1534 C ALA A 110 3.379 6.356 -7.093 1.00 0.00 C ATOM 1535 O ALA A 110 3.596 5.935 -8.228 1.00 0.00 O ATOM 1536 CB ALA A 110 2.968 4.189 -5.827 1.00 0.00 C ATOM 0 H ALA A 110 1.059 4.835 -7.519 1.00 0.00 H new ATOM 0 HA ALA A 110 2.406 6.145 -5.209 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.959 4.261 -5.378 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.288 3.700 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.027 3.605 -6.745 1.00 0.00 H new ATOM 1542 N VAL A 111 3.903 7.464 -6.590 1.00 0.00 N ATOM 1543 CA VAL A 111 4.803 8.290 -7.375 1.00 0.00 C ATOM 1544 C VAL A 111 6.231 7.756 -7.237 1.00 0.00 C ATOM 1545 O VAL A 111 6.756 7.659 -6.129 1.00 0.00 O ATOM 1546 CB VAL A 111 4.670 9.755 -6.956 1.00 0.00 C ATOM 1547 CG1 VAL A 111 5.706 10.626 -7.669 1.00 0.00 C ATOM 1548 CG2 VAL A 111 3.253 10.271 -7.207 1.00 0.00 C ATOM 0 H VAL A 111 3.721 7.809 -5.647 1.00 0.00 H new ATOM 0 HA VAL A 111 4.539 8.243 -8.432 1.00 0.00 H new ATOM 0 HB VAL A 111 4.863 9.815 -5.885 1.00 0.00 H new ATOM 0 HG11 VAL A 111 5.589 11.663 -7.353 1.00 0.00 H new ATOM 0 HG12 VAL A 111 6.708 10.280 -7.416 1.00 0.00 H new ATOM 0 HG13 VAL A 111 5.560 10.557 -8.747 1.00 0.00 H new ATOM 0 HG21 VAL A 111 3.186 11.315 -6.900 1.00 0.00 H new ATOM 0 HG22 VAL A 111 3.019 10.189 -8.268 1.00 0.00 H new ATOM 0 HG23 VAL A 111 2.542 9.678 -6.632 1.00 0.00 H new ATOM 1558 N ILE A 112 6.816 7.422 -8.377 1.00 0.00 N ATOM 1559 CA ILE A 112 8.172 6.899 -8.397 1.00 0.00 C ATOM 1560 C ILE A 112 9.162 8.058 -8.271 1.00 0.00 C ATOM 1561 O ILE A 112 8.946 9.128 -8.838 1.00 0.00 O ATOM 1562 CB ILE A 112 8.395 6.032 -9.638 1.00 0.00 C ATOM 1563 CG1 ILE A 112 7.271 5.006 -9.798 1.00 0.00 C ATOM 1564 CG2 ILE A 112 9.774 5.372 -9.605 1.00 0.00 C ATOM 1565 CD1 ILE A 112 7.183 4.094 -8.573 1.00 0.00 C ATOM 0 H ILE A 112 6.376 7.503 -9.294 1.00 0.00 H new ATOM 0 HA ILE A 112 8.339 6.241 -7.544 1.00 0.00 H new ATOM 0 HB ILE A 112 8.369 6.678 -10.516 1.00 0.00 H new ATOM 0 HG12 ILE A 112 6.321 5.521 -9.941 1.00 0.00 H new ATOM 0 HG13 ILE A 112 7.446 4.406 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 112 9.907 4.762 -10.498 1.00 0.00 H new ATOM 0 HG22 ILE A 112 10.545 6.142 -9.574 1.00 0.00 H new ATOM 0 HG23 ILE A 112 9.855 4.741 -8.720 1.00 0.00 H new ATOM 0 HD11 ILE A 112 6.376 3.374 -8.712 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.126 3.562 -8.447 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.984 4.695 -7.686 1.00 0.00 H new ATOM 1576 N ALA A 113 10.227 7.807 -7.524 1.00 0.00 N ATOM 1577 CA ALA A 113 11.251 8.816 -7.315 1.00 0.00 C ATOM 1578 C ALA A 113 12.432 8.193 -6.569 1.00 0.00 C ATOM 1579 O ALA A 113 12.262 7.225 -5.828 1.00 0.00 O ATOM 1580 CB ALA A 113 10.650 10.007 -6.566 1.00 0.00 C ATOM 0 H ALA A 113 10.403 6.918 -7.056 1.00 0.00 H new ATOM 0 HA ALA A 113 11.624 9.187 -8.270 1.00 0.00 H new ATOM 0 HB1 ALA A 113 11.419 10.764 -6.409 1.00 0.00 H new ATOM 0 HB2 ALA A 113 9.836 10.433 -7.153 1.00 0.00 H new ATOM 0 HB3 ALA A 113 10.267 9.674 -5.601 1.00 0.00 H new ATOM 1586 N ARG A 114 13.603 8.772 -6.791 1.00 0.00 N ATOM 1587 CA ARG A 114 14.812 8.285 -6.148 1.00 0.00 C ATOM 1588 C ARG A 114 14.999 8.959 -4.787 1.00 0.00 C ATOM 1589 O ARG A 114 16.107 9.360 -4.436 1.00 0.00 O ATOM 1590 CB ARG A 114 16.043 8.552 -7.015 1.00 0.00 C ATOM 1591 CG ARG A 114 16.826 7.263 -7.269 1.00 0.00 C ATOM 1592 CD ARG A 114 18.299 7.431 -6.885 1.00 0.00 C ATOM 1593 NE ARG A 114 18.627 6.548 -5.743 1.00 0.00 N ATOM 1594 CZ ARG A 114 19.876 6.243 -5.365 1.00 0.00 C ATOM 1595 NH1 ARG A 114 20.921 6.746 -6.035 1.00 0.00 N ATOM 1596 NH2 ARG A 114 20.080 5.434 -4.317 1.00 0.00 N ATOM 0 H ARG A 114 13.740 9.573 -7.407 1.00 0.00 H new ATOM 0 HA ARG A 114 14.704 7.209 -6.012 1.00 0.00 H new ATOM 0 HB2 ARG A 114 15.735 8.988 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 114 16.687 9.282 -6.524 1.00 0.00 H new ATOM 0 HG2 ARG A 114 16.387 6.448 -6.694 1.00 0.00 H new ATOM 0 HG3 ARG A 114 16.750 6.988 -8.321 1.00 0.00 H new ATOM 0 HD2 ARG A 114 18.935 7.190 -7.737 1.00 0.00 H new ATOM 0 HD3 ARG A 114 18.499 8.470 -6.622 1.00 0.00 H new ATOM 0 HE ARG A 114 17.855 6.147 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 114 20.766 7.362 -6.833 1.00 0.00 H new ATOM 0 HH12 ARG A 114 21.871 6.513 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 114 19.285 5.050 -3.807 1.00 0.00 H new ATOM 0 HH22 ARG A 114 21.031 5.202 -4.029 1.00 0.00 H new ATOM 1607 N ASP A 115 13.897 9.064 -4.058 1.00 0.00 N ATOM 1608 CA ASP A 115 13.926 9.684 -2.744 1.00 0.00 C ATOM 1609 C ASP A 115 13.551 8.643 -1.687 1.00 0.00 C ATOM 1610 O ASP A 115 12.586 7.900 -1.857 1.00 0.00 O ATOM 1611 CB ASP A 115 12.918 10.832 -2.655 1.00 0.00 C ATOM 1612 CG ASP A 115 13.275 11.928 -1.648 1.00 0.00 C ATOM 1613 OD1 ASP A 115 14.477 12.027 -1.319 1.00 0.00 O ATOM 1614 OD2 ASP A 115 12.338 12.642 -1.230 1.00 0.00 O ATOM 0 H ASP A 115 12.979 8.730 -4.352 1.00 0.00 H new ATOM 0 HA ASP A 115 14.931 10.072 -2.575 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.817 11.284 -3.641 1.00 0.00 H new ATOM 0 HB3 ASP A 115 11.944 10.421 -2.392 1.00 0.00 H new ATOM 1618 N GLY A 116 14.335 8.624 -0.618 1.00 0.00 N ATOM 1619 CA GLY A 116 14.098 7.687 0.466 1.00 0.00 C ATOM 1620 C GLY A 116 13.622 8.415 1.726 1.00 0.00 C ATOM 1621 O GLY A 116 14.237 9.393 2.151 1.00 0.00 O ATOM 0 H GLY A 116 15.134 9.243 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 116 13.351 6.954 0.161 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.014 7.137 0.683 1.00 0.00 H new ATOM 1625 N LYS A 117 12.533 7.911 2.287 1.00 0.00 N ATOM 1626 CA LYS A 117 11.968 8.501 3.488 1.00 0.00 C ATOM 1627 C LYS A 117 12.239 7.579 4.679 1.00 0.00 C ATOM 1628 O LYS A 117 12.037 6.369 4.590 1.00 0.00 O ATOM 1629 CB LYS A 117 10.487 8.821 3.282 1.00 0.00 C ATOM 1630 CG LYS A 117 9.808 9.154 4.613 1.00 0.00 C ATOM 1631 CD LYS A 117 10.540 10.287 5.334 1.00 0.00 C ATOM 1632 CE LYS A 117 9.571 11.404 5.727 1.00 0.00 C ATOM 1633 NZ LYS A 117 9.832 11.853 7.112 1.00 0.00 N ATOM 0 H LYS A 117 12.027 7.100 1.932 1.00 0.00 H new ATOM 0 HA LYS A 117 12.448 9.455 3.707 1.00 0.00 H new ATOM 0 HB2 LYS A 117 10.385 9.663 2.597 1.00 0.00 H new ATOM 0 HB3 LYS A 117 9.988 7.970 2.818 1.00 0.00 H new ATOM 0 HG2 LYS A 117 8.772 9.441 4.435 1.00 0.00 H new ATOM 0 HG3 LYS A 117 9.788 8.268 5.247 1.00 0.00 H new ATOM 0 HD2 LYS A 117 11.032 9.897 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 117 11.321 10.689 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 117 9.677 12.244 5.040 1.00 0.00 H new ATOM 0 HE3 LYS A 117 8.544 11.049 5.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 9.166 12.611 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 9.708 11.053 7.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 10.806 12.211 7.183 1.00 0.00 H new ATOM 1643 N ILE A 118 12.693 8.187 5.766 1.00 0.00 N ATOM 1644 CA ILE A 118 12.993 7.436 6.973 1.00 0.00 C ATOM 1645 C ILE A 118 11.695 7.165 7.736 1.00 0.00 C ATOM 1646 O ILE A 118 10.657 6.903 7.130 1.00 0.00 O ATOM 1647 CB ILE A 118 14.055 8.159 7.804 1.00 0.00 C ATOM 1648 CG1 ILE A 118 15.076 8.856 6.901 1.00 0.00 C ATOM 1649 CG2 ILE A 118 14.723 7.203 8.793 1.00 0.00 C ATOM 1650 CD1 ILE A 118 14.912 10.376 6.958 1.00 0.00 C ATOM 0 H ILE A 118 12.860 9.191 5.836 1.00 0.00 H new ATOM 0 HA ILE A 118 13.424 6.467 6.721 1.00 0.00 H new ATOM 0 HB ILE A 118 13.561 8.934 8.390 1.00 0.00 H new ATOM 0 HG12 ILE A 118 16.085 8.584 7.210 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.953 8.512 5.874 1.00 0.00 H new ATOM 0 HG21 ILE A 118 15.473 7.743 9.371 1.00 0.00 H new ATOM 0 HG22 ILE A 118 13.971 6.794 9.468 1.00 0.00 H new ATOM 0 HG23 ILE A 118 15.201 6.390 8.247 1.00 0.00 H new ATOM 0 HD11 ILE A 118 15.650 10.846 6.308 1.00 0.00 H new ATOM 0 HD12 ILE A 118 13.910 10.647 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 118 15.060 10.720 7.982 1.00 0.00 H new ATOM 1661 N TYR A 119 11.795 7.239 9.055 1.00 0.00 N ATOM 1662 CA TYR A 119 10.641 7.005 9.908 1.00 0.00 C ATOM 1663 C TYR A 119 11.072 6.726 11.349 1.00 0.00 C ATOM 1664 O TYR A 119 11.813 5.779 11.607 1.00 0.00 O ATOM 1665 CB TYR A 119 9.948 5.762 9.346 1.00 0.00 C ATOM 1666 CG TYR A 119 9.430 4.800 10.418 1.00 0.00 C ATOM 1667 CD1 TYR A 119 10.279 3.866 10.975 1.00 0.00 C ATOM 1668 CD2 TYR A 119 8.115 4.869 10.829 1.00 0.00 C ATOM 1669 CE1 TYR A 119 9.792 2.962 11.983 1.00 0.00 C ATOM 1670 CE2 TYR A 119 7.627 3.964 11.837 1.00 0.00 C ATOM 1671 CZ TYR A 119 8.490 3.055 12.365 1.00 0.00 C ATOM 1672 OH TYR A 119 8.029 2.201 13.318 1.00 0.00 O ATOM 0 H TYR A 119 12.657 7.458 9.554 1.00 0.00 H new ATOM 0 HA TYR A 119 9.989 7.878 9.921 1.00 0.00 H new ATOM 0 HB2 TYR A 119 9.113 6.076 8.720 1.00 0.00 H new ATOM 0 HB3 TYR A 119 10.647 5.229 8.701 1.00 0.00 H new ATOM 0 HD1 TYR A 119 11.309 3.813 10.654 1.00 0.00 H new ATOM 0 HD2 TYR A 119 7.451 5.602 10.395 1.00 0.00 H new ATOM 0 HE1 TYR A 119 10.446 2.226 12.426 1.00 0.00 H new ATOM 0 HE2 TYR A 119 6.599 4.006 12.166 1.00 0.00 H new ATOM 0 HH TYR A 119 7.082 2.384 13.491 1.00 0.00 H new ATOM 1681 N LYS A 120 10.590 7.569 12.250 1.00 0.00 N ATOM 1682 CA LYS A 120 10.916 7.426 13.659 1.00 0.00 C ATOM 1683 C LYS A 120 10.515 6.027 14.131 1.00 0.00 C ATOM 1684 O LYS A 120 9.579 5.433 13.596 1.00 0.00 O ATOM 1685 CB LYS A 120 10.282 8.555 14.473 1.00 0.00 C ATOM 1686 CG LYS A 120 11.003 8.739 15.810 1.00 0.00 C ATOM 1687 CD LYS A 120 10.041 8.538 16.984 1.00 0.00 C ATOM 1688 CE LYS A 120 8.961 9.621 16.999 1.00 0.00 C ATOM 1689 NZ LYS A 120 7.745 9.150 16.300 1.00 0.00 N ATOM 0 H LYS A 120 9.976 8.354 12.032 1.00 0.00 H new ATOM 0 HA LYS A 120 11.991 7.519 13.813 1.00 0.00 H new ATOM 0 HB2 LYS A 120 10.320 9.484 13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 120 9.230 8.333 14.651 1.00 0.00 H new ATOM 0 HG2 LYS A 120 11.826 8.029 15.884 1.00 0.00 H new ATOM 0 HG3 LYS A 120 11.438 9.737 15.858 1.00 0.00 H new ATOM 0 HD2 LYS A 120 9.575 7.555 16.913 1.00 0.00 H new ATOM 0 HD3 LYS A 120 10.596 8.560 17.922 1.00 0.00 H new ATOM 0 HE2 LYS A 120 8.717 9.885 18.028 1.00 0.00 H new ATOM 0 HE3 LYS A 120 9.337 10.524 16.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 6.906 9.378 16.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 7.672 9.620 15.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 7.800 8.121 16.162 1.00 0.00 H new TER 1699 LYS A 120