USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 1079 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 47 CYS SG : rot -148:sc= -3.92! USER MOD Set 1.2: A 105 GLN : amide:sc= -1.04 K(o=-5,f=-8.4!) USER MOD Set 2.1: A 37 SER OG : rot 180:sc= -0.4 USER MOD Set 2.2: A 40 ASN : amide:sc= -0.216 K(o=-0.62,f=-1.3!) USER MOD Set 3.1: A 14 SER OG : rot 130:sc= 0.0028 USER MOD Set 3.2: A 17 LYS NZ :NH3+ 164:sc= -4.9! (180deg=-5.32!) USER MOD Single : A 1 SER N :NH3+ -107:sc= 0.0787 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 80:sc= -0.478 USER MOD Single : A 10 LYS NZ :NH3+ 171:sc= 0.508 (180deg=0.334) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 HIS : +bothHN:sc= 0.51 K(o=0.51,f=-4.3!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -1.4 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00829) USER MOD Single : A 52 LYS NZ :NH3+ 161:sc= 0.419 (180deg=-0.441) USER MOD Single : A 53 SER OG : rot 24:sc= 1.19 USER MOD Single : A 54 LYS NZ :NH3+ -168:sc= -0.0176 (180deg=-0.207) USER MOD Single : A 57 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 58 GLN :FLIP amide:sc= -0.587 F(o=-3.4!,f=-0.59) USER MOD Single : A 60 HIS : no HE2:sc= -0.431 K(o=-0.43,f=-2.7!) USER MOD Single : A 62 LYS NZ :NH3+ -172:sc=-0.00673 (180deg=-0.174) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -163:sc= -0.0314 (180deg=-0.277) USER MOD Single : A 72 GLN : amide:sc= -0.734 K(o=-0.73,f=-4.5!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 155:sc= 1.17 (180deg=-0.38) USER MOD Single : A 80 ASN : amide:sc= 0.566 K(o=0.57,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 0.0144 X(o=0.014,f=-0.32) USER MOD Single : A 85 THR OG1 : rot 58:sc= -0.577 USER MOD Single : A 86 LYS NZ :NH3+ 146:sc= 1.16 (180deg=-1.26!) USER MOD Single : A 90 THR OG1 : rot -28:sc= 1.01 USER MOD Single : A 91 ASN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 92 SER OG : rot -31:sc= 0.575 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 97 THR OG1 : rot 180:sc=-0.00873 USER MOD Single : A 99 HIS : +bothHN:sc= -0.277 K(o=-0.28,f=-2.9!) USER MOD Single : A 100 SER OG : rot -91:sc= 0.189 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 68:sc= 0.0444 USER MOD Single : A 110 GLN : amide:sc= -0.0166 K(o=-0.017,f=-2.9!) USER MOD Single : A 112 MET CE :methyl -176:sc= -1.71 (180deg=-1.79) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot 89:sc= 0.357 USER MOD Single : A 117 TYR OH : rot 6:sc= 0.0906 USER MOD Single : A 118 THR OG1 : rot -122:sc= 0.664 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -79:sc= 1.04 USER MOD Single : A 126 TYR OH : rot 14:sc= -1.75! USER MOD Single : A 130 MET CE :methyl -111:sc= -1.12 (180deg=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -17.265 -9.996 -11.047 1.00 0.00 N ATOM 2 CA SER A 1 -17.364 -8.526 -10.915 1.00 0.00 C ATOM 3 C SER A 1 -18.345 -8.157 -9.807 1.00 0.00 C ATOM 4 O SER A 1 -19.258 -8.930 -9.494 1.00 0.00 O ATOM 5 CB SER A 1 -17.803 -7.898 -12.247 1.00 0.00 C ATOM 6 OG SER A 1 -19.044 -8.430 -12.694 1.00 0.00 O ATOM 0 H1 SER A 1 -16.352 -10.318 -10.667 1.00 0.00 H new ATOM 0 H2 SER A 1 -18.038 -10.445 -10.516 1.00 0.00 H new ATOM 0 H3 SER A 1 -17.335 -10.260 -12.050 1.00 0.00 H new ATOM 0 HA SER A 1 -16.381 -8.135 -10.653 1.00 0.00 H new ATOM 0 HB2 SER A 1 -17.891 -6.818 -12.129 1.00 0.00 H new ATOM 0 HB3 SER A 1 -17.038 -8.075 -13.003 1.00 0.00 H new ATOM 0 HG SER A 1 -19.294 -8.008 -13.542 1.00 0.00 H new ATOM 14 N MET A 2 -18.142 -6.978 -9.211 1.00 0.00 N ATOM 15 CA MET A 2 -19.015 -6.463 -8.151 1.00 0.00 C ATOM 16 C MET A 2 -18.913 -7.334 -6.899 1.00 0.00 C ATOM 17 O MET A 2 -18.103 -8.263 -6.844 1.00 0.00 O ATOM 18 CB MET A 2 -20.473 -6.362 -8.639 1.00 0.00 C ATOM 19 CG MET A 2 -20.651 -5.439 -9.841 1.00 0.00 C ATOM 20 SD MET A 2 -22.358 -5.358 -10.414 1.00 0.00 S ATOM 21 CE MET A 2 -22.187 -4.267 -11.827 1.00 0.00 C ATOM 0 H MET A 2 -17.370 -6.355 -9.449 1.00 0.00 H new ATOM 0 HA MET A 2 -18.681 -5.458 -7.892 1.00 0.00 H new ATOM 0 HB2 MET A 2 -20.830 -7.358 -8.900 1.00 0.00 H new ATOM 0 HB3 MET A 2 -21.098 -6.004 -7.821 1.00 0.00 H new ATOM 0 HG2 MET A 2 -20.314 -4.437 -9.577 1.00 0.00 H new ATOM 0 HG3 MET A 2 -20.015 -5.785 -10.656 1.00 0.00 H new ATOM 0 HE1 MET A 2 -23.162 -4.118 -12.292 1.00 0.00 H new ATOM 0 HE2 MET A 2 -21.791 -3.306 -11.499 1.00 0.00 H new ATOM 0 HE3 MET A 2 -21.505 -4.713 -12.551 1.00 0.00 H new ATOM 31 N VAL A 3 -19.727 -7.033 -5.893 1.00 0.00 N ATOM 32 CA VAL A 3 -19.639 -7.722 -4.610 1.00 0.00 C ATOM 33 C VAL A 3 -20.986 -7.722 -3.885 1.00 0.00 C ATOM 34 O VAL A 3 -21.795 -6.808 -4.057 1.00 0.00 O ATOM 35 CB VAL A 3 -18.558 -7.062 -3.712 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.896 -5.601 -3.438 1.00 0.00 C ATOM 37 CG2 VAL A 3 -18.375 -7.830 -2.408 1.00 0.00 C ATOM 0 H VAL A 3 -20.453 -6.319 -5.940 1.00 0.00 H new ATOM 0 HA VAL A 3 -19.357 -8.756 -4.809 1.00 0.00 H new ATOM 0 HB VAL A 3 -17.613 -7.097 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -18.124 -5.161 -2.807 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.948 -5.057 -4.381 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.858 -5.539 -2.930 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.611 -7.342 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.317 -7.846 -1.860 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -18.065 -8.852 -2.628 1.00 0.00 H new ATOM 47 N SER A 4 -21.221 -8.765 -3.097 1.00 0.00 N ATOM 48 CA SER A 4 -22.432 -8.889 -2.293 1.00 0.00 C ATOM 49 C SER A 4 -22.223 -8.215 -0.931 1.00 0.00 C ATOM 50 O SER A 4 -21.100 -8.196 -0.420 1.00 0.00 O ATOM 51 CB SER A 4 -22.771 -10.379 -2.113 1.00 0.00 C ATOM 52 OG SER A 4 -23.978 -10.565 -1.389 1.00 0.00 O ATOM 0 H SER A 4 -20.577 -9.549 -2.997 1.00 0.00 H new ATOM 0 HA SER A 4 -23.262 -8.395 -2.798 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.858 -10.852 -3.091 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.954 -10.876 -1.590 1.00 0.00 H new ATOM 0 HG SER A 4 -24.742 -10.435 -1.988 1.00 0.00 H new ATOM 58 N PRO A 5 -23.297 -7.642 -0.332 1.00 0.00 N ATOM 59 CA PRO A 5 -23.228 -6.994 0.989 1.00 0.00 C ATOM 60 C PRO A 5 -22.456 -7.825 2.017 1.00 0.00 C ATOM 61 O PRO A 5 -21.775 -7.274 2.883 1.00 0.00 O ATOM 62 CB PRO A 5 -24.701 -6.865 1.388 1.00 0.00 C ATOM 63 CG PRO A 5 -25.420 -6.718 0.090 1.00 0.00 C ATOM 64 CD PRO A 5 -24.660 -7.565 -0.904 1.00 0.00 C ATOM 0 HA PRO A 5 -22.695 -6.044 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -25.044 -7.743 1.936 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.865 -6.002 2.034 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -26.454 -7.051 0.177 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.447 -5.675 -0.226 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -25.106 -8.554 -1.010 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.653 -7.110 -1.895 1.00 0.00 H new ATOM 72 N GLU A 6 -22.565 -9.148 1.901 1.00 0.00 N ATOM 73 CA GLU A 6 -21.836 -10.074 2.770 1.00 0.00 C ATOM 74 C GLU A 6 -20.338 -9.771 2.748 1.00 0.00 C ATOM 75 O GLU A 6 -19.757 -9.357 3.750 1.00 0.00 O ATOM 76 CB GLU A 6 -22.077 -11.519 2.310 1.00 0.00 C ATOM 77 CG GLU A 6 -23.529 -11.968 2.405 1.00 0.00 C ATOM 78 CD GLU A 6 -23.991 -12.179 3.838 1.00 0.00 C ATOM 79 OE1 GLU A 6 -23.837 -13.310 4.353 1.00 0.00 O ATOM 80 OE2 GLU A 6 -24.528 -11.236 4.446 1.00 0.00 O ATOM 0 H GLU A 6 -23.156 -9.607 1.208 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.201 -9.950 3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -21.743 -11.621 1.277 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -21.461 -12.188 2.911 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.166 -11.223 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -23.654 -12.897 1.848 1.00 0.00 H new ATOM 87 N GLU A 7 -19.725 -9.958 1.587 1.00 0.00 N ATOM 88 CA GLU A 7 -18.292 -9.742 1.430 1.00 0.00 C ATOM 89 C GLU A 7 -17.955 -8.264 1.652 1.00 0.00 C ATOM 90 O GLU A 7 -16.897 -7.925 2.187 1.00 0.00 O ATOM 91 CB GLU A 7 -17.854 -10.191 0.029 1.00 0.00 C ATOM 92 CG GLU A 7 -16.346 -10.167 -0.198 1.00 0.00 C ATOM 93 CD GLU A 7 -15.616 -11.262 0.567 1.00 0.00 C ATOM 94 OE1 GLU A 7 -15.462 -12.373 0.009 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.190 -11.013 1.711 1.00 0.00 O ATOM 0 H GLU A 7 -20.200 -10.260 0.736 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.754 -10.332 2.173 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -18.219 -11.203 -0.146 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.331 -9.548 -0.711 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.142 -10.277 -1.263 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.953 -9.196 0.104 1.00 0.00 H new ATOM 102 N ALA A 8 -18.884 -7.393 1.264 1.00 0.00 N ATOM 103 CA ALA A 8 -18.702 -5.949 1.390 1.00 0.00 C ATOM 104 C ALA A 8 -18.472 -5.538 2.845 1.00 0.00 C ATOM 105 O ALA A 8 -17.543 -4.785 3.147 1.00 0.00 O ATOM 106 CB ALA A 8 -19.904 -5.212 0.809 1.00 0.00 C ATOM 0 H ALA A 8 -19.778 -7.666 0.856 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.812 -5.673 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.755 -4.137 0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -20.012 -5.466 -0.245 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.805 -5.505 1.347 1.00 0.00 H new ATOM 112 N VAL A 9 -19.315 -6.033 3.751 1.00 0.00 N ATOM 113 CA VAL A 9 -19.174 -5.702 5.168 1.00 0.00 C ATOM 114 C VAL A 9 -17.919 -6.350 5.748 1.00 0.00 C ATOM 115 O VAL A 9 -17.316 -5.817 6.682 1.00 0.00 O ATOM 116 CB VAL A 9 -20.414 -6.103 6.009 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.670 -5.398 5.495 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.606 -7.614 6.029 1.00 0.00 C ATOM 0 H VAL A 9 -20.093 -6.656 3.533 1.00 0.00 H new ATOM 0 HA VAL A 9 -19.086 -4.617 5.224 1.00 0.00 H new ATOM 0 HB VAL A 9 -20.239 -5.780 7.035 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.527 -5.694 6.100 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.535 -4.319 5.562 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.845 -5.678 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -21.483 -7.861 6.627 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.747 -7.976 5.011 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.725 -8.087 6.464 1.00 0.00 H new ATOM 128 N LYS A 10 -17.513 -7.488 5.178 1.00 0.00 N ATOM 129 CA LYS A 10 -16.273 -8.144 5.590 1.00 0.00 C ATOM 130 C LYS A 10 -15.059 -7.311 5.179 1.00 0.00 C ATOM 131 O LYS A 10 -14.023 -7.338 5.847 1.00 0.00 O ATOM 132 CB LYS A 10 -16.179 -9.582 5.045 1.00 0.00 C ATOM 133 CG LYS A 10 -16.811 -10.623 5.973 1.00 0.00 C ATOM 134 CD LYS A 10 -18.316 -10.419 6.126 1.00 0.00 C ATOM 135 CE LYS A 10 -18.874 -11.125 7.356 1.00 0.00 C ATOM 136 NZ LYS A 10 -18.418 -10.479 8.616 1.00 0.00 N ATOM 0 H LYS A 10 -18.021 -7.969 4.436 1.00 0.00 H new ATOM 0 HA LYS A 10 -16.282 -8.216 6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -16.669 -9.627 4.072 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -15.131 -9.835 4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -16.619 -11.622 5.580 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.337 -10.569 6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -18.531 -9.352 6.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.823 -10.790 5.235 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -19.963 -11.118 7.317 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.562 -12.169 7.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -18.934 -10.887 9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -17.398 -10.641 8.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -18.602 -9.457 8.568 1.00 0.00 H new ATOM 150 N TRP A 11 -15.190 -6.560 4.089 1.00 0.00 N ATOM 151 CA TRP A 11 -14.170 -5.579 3.717 1.00 0.00 C ATOM 152 C TRP A 11 -14.088 -4.497 4.792 1.00 0.00 C ATOM 153 O TRP A 11 -13.018 -3.961 5.075 1.00 0.00 O ATOM 154 CB TRP A 11 -14.491 -4.930 2.362 1.00 0.00 C ATOM 155 CG TRP A 11 -14.441 -5.874 1.198 1.00 0.00 C ATOM 156 CD1 TRP A 11 -14.026 -7.176 1.202 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.811 -5.576 -0.153 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.118 -7.703 -0.062 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.598 -6.740 -0.911 1.00 0.00 C ATOM 160 CE3 TRP A 11 -15.303 -4.435 -0.792 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.860 -6.796 -2.277 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.564 -4.491 -2.149 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.340 -5.665 -2.877 1.00 0.00 C ATOM 0 H TRP A 11 -15.985 -6.609 3.451 1.00 0.00 H new ATOM 0 HA TRP A 11 -13.214 -6.095 3.632 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -15.485 -4.485 2.412 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.787 -4.117 2.186 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.677 -7.712 2.072 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -13.870 -8.656 -0.326 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -15.476 -3.525 -0.236 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.690 -7.700 -2.843 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.946 -3.616 -2.654 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.551 -5.678 -3.936 1.00 0.00 H new ATOM 174 N GLY A 12 -15.235 -4.216 5.407 1.00 0.00 N ATOM 175 CA GLY A 12 -15.326 -3.175 6.415 1.00 0.00 C ATOM 176 C GLY A 12 -14.827 -3.620 7.777 1.00 0.00 C ATOM 177 O GLY A 12 -14.873 -2.851 8.741 1.00 0.00 O ATOM 0 H GLY A 12 -16.114 -4.699 5.221 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.749 -2.310 6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -16.363 -2.852 6.502 1.00 0.00 H new ATOM 181 N GLU A 13 -14.365 -4.863 7.867 1.00 0.00 N ATOM 182 CA GLU A 13 -13.800 -5.398 9.106 1.00 0.00 C ATOM 183 C GLU A 13 -12.452 -6.065 8.833 1.00 0.00 C ATOM 184 O GLU A 13 -11.810 -6.592 9.746 1.00 0.00 O ATOM 185 CB GLU A 13 -14.776 -6.400 9.740 1.00 0.00 C ATOM 186 CG GLU A 13 -15.141 -7.554 8.816 1.00 0.00 C ATOM 187 CD GLU A 13 -16.250 -8.438 9.361 1.00 0.00 C ATOM 188 OE1 GLU A 13 -17.380 -7.937 9.548 1.00 0.00 O ATOM 189 OE2 GLU A 13 -16.014 -9.649 9.570 1.00 0.00 O ATOM 0 H GLU A 13 -14.370 -5.525 7.091 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.641 -4.575 9.803 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -14.333 -6.800 10.652 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.686 -5.875 10.031 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.448 -7.153 7.850 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.254 -8.163 8.641 1.00 0.00 H new ATOM 196 N SER A 14 -12.025 -6.034 7.572 1.00 0.00 N ATOM 197 CA SER A 14 -10.768 -6.648 7.159 1.00 0.00 C ATOM 198 C SER A 14 -10.199 -5.931 5.932 1.00 0.00 C ATOM 199 O SER A 14 -10.623 -6.185 4.801 1.00 0.00 O ATOM 200 CB SER A 14 -10.979 -8.135 6.839 1.00 0.00 C ATOM 201 OG SER A 14 -11.487 -8.856 7.950 1.00 0.00 O ATOM 0 H SER A 14 -12.538 -5.585 6.813 1.00 0.00 H new ATOM 0 HA SER A 14 -10.058 -6.559 7.981 1.00 0.00 H new ATOM 0 HB2 SER A 14 -11.669 -8.230 6.000 1.00 0.00 H new ATOM 0 HB3 SER A 14 -10.033 -8.575 6.525 1.00 0.00 H new ATOM 0 HG SER A 14 -12.267 -9.380 7.671 1.00 0.00 H new ATOM 207 N PHE A 15 -9.240 -5.032 6.158 1.00 0.00 N ATOM 208 CA PHE A 15 -8.582 -4.307 5.070 1.00 0.00 C ATOM 209 C PHE A 15 -7.907 -5.300 4.120 1.00 0.00 C ATOM 210 O PHE A 15 -7.887 -5.105 2.903 1.00 0.00 O ATOM 211 CB PHE A 15 -7.550 -3.316 5.636 1.00 0.00 C ATOM 212 CG PHE A 15 -6.991 -2.343 4.621 1.00 0.00 C ATOM 213 CD1 PHE A 15 -5.933 -2.701 3.796 1.00 0.00 C ATOM 214 CD2 PHE A 15 -7.518 -1.066 4.500 1.00 0.00 C ATOM 215 CE1 PHE A 15 -5.418 -1.810 2.876 1.00 0.00 C ATOM 216 CE2 PHE A 15 -7.005 -0.170 3.581 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.955 -0.543 2.768 1.00 0.00 C ATOM 0 H PHE A 15 -8.901 -4.788 7.088 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.331 -3.742 4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.013 -2.751 6.445 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.725 -3.880 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -5.507 -3.690 3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.341 -0.767 5.133 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -4.595 -2.104 2.241 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.426 0.821 3.500 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.554 0.155 2.048 1.00 0.00 H new ATOM 227 N ASP A 16 -7.371 -6.375 4.698 1.00 0.00 N ATOM 228 CA ASP A 16 -6.750 -7.455 3.928 1.00 0.00 C ATOM 229 C ASP A 16 -7.744 -8.030 2.930 1.00 0.00 C ATOM 230 O ASP A 16 -7.395 -8.355 1.797 1.00 0.00 O ATOM 231 CB ASP A 16 -6.282 -8.577 4.868 1.00 0.00 C ATOM 232 CG ASP A 16 -7.441 -9.214 5.633 1.00 0.00 C ATOM 233 OD1 ASP A 16 -7.809 -8.676 6.697 1.00 0.00 O ATOM 234 OD2 ASP A 16 -8.001 -10.235 5.163 1.00 0.00 O ATOM 0 H ASP A 16 -7.354 -6.522 5.707 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.893 -7.044 3.394 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -5.768 -9.343 4.288 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.558 -8.175 5.577 1.00 0.00 H new ATOM 239 N LYS A 17 -8.991 -8.128 3.367 1.00 0.00 N ATOM 240 CA LYS A 17 -10.036 -8.782 2.600 1.00 0.00 C ATOM 241 C LYS A 17 -10.490 -7.883 1.457 1.00 0.00 C ATOM 242 O LYS A 17 -10.898 -8.359 0.394 1.00 0.00 O ATOM 243 CB LYS A 17 -11.194 -9.135 3.535 1.00 0.00 C ATOM 244 CG LYS A 17 -12.117 -10.226 3.013 1.00 0.00 C ATOM 245 CD LYS A 17 -12.818 -10.969 4.152 1.00 0.00 C ATOM 246 CE LYS A 17 -11.867 -11.886 4.935 1.00 0.00 C ATOM 247 NZ LYS A 17 -10.814 -11.140 5.692 1.00 0.00 N ATOM 0 H LYS A 17 -9.305 -7.756 4.263 1.00 0.00 H new ATOM 0 HA LYS A 17 -9.655 -9.702 2.158 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.786 -9.451 4.495 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -11.783 -8.236 3.719 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -12.864 -9.785 2.352 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -11.542 -10.934 2.416 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -13.261 -10.244 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -13.635 -11.564 3.744 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.448 -12.489 5.633 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.386 -12.576 4.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.384 -11.769 6.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.081 -10.809 5.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.244 -10.323 6.171 1.00 0.00 H new ATOM 261 N LEU A 18 -10.393 -6.578 1.688 1.00 0.00 N ATOM 262 CA LEU A 18 -10.649 -5.583 0.654 1.00 0.00 C ATOM 263 C LEU A 18 -9.681 -5.791 -0.512 1.00 0.00 C ATOM 264 O LEU A 18 -10.085 -5.821 -1.674 1.00 0.00 O ATOM 265 CB LEU A 18 -10.490 -4.174 1.248 1.00 0.00 C ATOM 266 CG LEU A 18 -10.707 -3.002 0.276 1.00 0.00 C ATOM 267 CD1 LEU A 18 -12.132 -3.004 -0.271 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.395 -1.675 0.965 1.00 0.00 C ATOM 0 H LEU A 18 -10.136 -6.182 2.592 1.00 0.00 H new ATOM 0 HA LEU A 18 -11.668 -5.692 0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -11.193 -4.069 2.075 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.488 -4.090 1.669 1.00 0.00 H new ATOM 0 HG LEU A 18 -10.024 -3.124 -0.565 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -12.260 -2.166 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -12.317 -3.938 -0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.838 -2.910 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.553 -0.855 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.052 -1.549 1.826 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.357 -1.673 1.297 1.00 0.00 H new ATOM 280 N LEU A 19 -8.404 -5.955 -0.178 1.00 0.00 N ATOM 281 CA LEU A 19 -7.355 -6.191 -1.171 1.00 0.00 C ATOM 282 C LEU A 19 -7.384 -7.641 -1.666 1.00 0.00 C ATOM 283 O LEU A 19 -6.940 -7.938 -2.775 1.00 0.00 O ATOM 284 CB LEU A 19 -5.977 -5.857 -0.569 1.00 0.00 C ATOM 285 CG LEU A 19 -5.586 -4.363 -0.556 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.687 -3.491 0.044 1.00 0.00 C ATOM 287 CD2 LEU A 19 -4.278 -4.162 0.203 1.00 0.00 C ATOM 0 H LEU A 19 -8.066 -5.929 0.784 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.537 -5.540 -2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.951 -6.227 0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.217 -6.406 -1.125 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.449 -4.052 -1.592 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.371 -2.448 0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.598 -3.600 -0.544 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.879 -3.802 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.016 -3.104 0.203 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.397 -4.506 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.485 -4.732 -0.281 1.00 0.00 H new ATOM 299 N SER A 20 -7.909 -8.534 -0.829 1.00 0.00 N ATOM 300 CA SER A 20 -8.026 -9.953 -1.169 1.00 0.00 C ATOM 301 C SER A 20 -8.943 -10.137 -2.377 1.00 0.00 C ATOM 302 O SER A 20 -8.791 -11.082 -3.153 1.00 0.00 O ATOM 303 CB SER A 20 -8.562 -10.735 0.039 1.00 0.00 C ATOM 304 OG SER A 20 -8.673 -12.125 -0.228 1.00 0.00 O ATOM 0 H SER A 20 -8.263 -8.298 0.098 1.00 0.00 H new ATOM 0 HA SER A 20 -7.040 -10.338 -1.428 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.900 -10.582 0.891 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.539 -10.342 0.320 1.00 0.00 H new ATOM 0 HG SER A 20 -9.016 -12.584 0.567 1.00 0.00 H new ATOM 310 N HIS A 21 -9.901 -9.226 -2.523 1.00 0.00 N ATOM 311 CA HIS A 21 -10.798 -9.226 -3.673 1.00 0.00 C ATOM 312 C HIS A 21 -10.273 -8.283 -4.746 1.00 0.00 C ATOM 313 O HIS A 21 -9.961 -7.129 -4.463 1.00 0.00 O ATOM 314 CB HIS A 21 -12.219 -8.804 -3.261 1.00 0.00 C ATOM 315 CG HIS A 21 -13.181 -9.946 -3.111 1.00 0.00 C ATOM 316 ND1 HIS A 21 -14.196 -10.195 -4.014 1.00 0.00 N ATOM 317 CD2 HIS A 21 -13.299 -10.888 -2.147 1.00 0.00 C ATOM 318 CE1 HIS A 21 -14.896 -11.236 -3.608 1.00 0.00 C ATOM 319 NE2 HIS A 21 -14.373 -11.677 -2.478 1.00 0.00 N ATOM 0 H HIS A 21 -10.076 -8.475 -1.855 1.00 0.00 H new ATOM 0 HA HIS A 21 -10.839 -10.240 -4.071 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -12.166 -8.262 -2.317 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -12.610 -8.110 -4.005 1.00 0.00 H new ATOM 0 HD1 HIS A 21 -14.376 -9.658 -4.862 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.666 -10.999 -1.279 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -15.752 -11.657 -4.114 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -14.712 -12.474 -1.939 1.00 0.00 H new ATOM 328 N ARG A 22 -10.188 -8.776 -5.978 1.00 0.00 N ATOM 329 CA ARG A 22 -9.771 -7.957 -7.113 1.00 0.00 C ATOM 330 C ARG A 22 -10.725 -6.766 -7.242 1.00 0.00 C ATOM 331 O ARG A 22 -10.325 -5.662 -7.623 1.00 0.00 O ATOM 332 CB ARG A 22 -9.768 -8.813 -8.397 1.00 0.00 C ATOM 333 CG ARG A 22 -8.821 -8.333 -9.504 1.00 0.00 C ATOM 334 CD ARG A 22 -9.248 -7.007 -10.125 1.00 0.00 C ATOM 335 NE ARG A 22 -8.428 -6.663 -11.291 1.00 0.00 N ATOM 336 CZ ARG A 22 -8.177 -5.418 -11.697 1.00 0.00 C ATOM 337 NH1 ARG A 22 -8.659 -4.384 -11.021 1.00 0.00 N ATOM 338 NH2 ARG A 22 -7.437 -5.214 -12.778 1.00 0.00 N ATOM 0 H ARG A 22 -10.404 -9.744 -6.217 1.00 0.00 H new ATOM 0 HA ARG A 22 -8.760 -7.580 -6.958 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -9.500 -9.836 -8.131 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.782 -8.842 -8.797 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -7.816 -8.228 -9.094 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -8.769 -9.093 -10.284 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -10.295 -7.065 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -9.171 -6.215 -9.380 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.022 -7.429 -11.828 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -9.225 -4.539 -10.186 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.464 -3.433 -11.336 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.062 -6.008 -13.296 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -7.243 -4.263 -13.091 1.00 0.00 H new ATOM 352 N ASP A 23 -11.990 -7.009 -6.894 1.00 0.00 N ATOM 353 CA ASP A 23 -13.021 -5.971 -6.899 1.00 0.00 C ATOM 354 C ASP A 23 -12.656 -4.870 -5.912 1.00 0.00 C ATOM 355 O ASP A 23 -12.616 -3.691 -6.262 1.00 0.00 O ATOM 356 CB ASP A 23 -14.386 -6.563 -6.512 1.00 0.00 C ATOM 357 CG ASP A 23 -14.699 -7.850 -7.250 1.00 0.00 C ATOM 358 OD1 ASP A 23 -15.232 -7.786 -8.378 1.00 0.00 O ATOM 359 OD2 ASP A 23 -14.393 -8.936 -6.705 1.00 0.00 O ATOM 0 H ASP A 23 -12.327 -7.926 -6.602 1.00 0.00 H new ATOM 0 HA ASP A 23 -13.084 -5.557 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -14.404 -6.752 -5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -15.166 -5.831 -6.720 1.00 0.00 H new ATOM 364 N GLY A 24 -12.379 -5.278 -4.673 1.00 0.00 N ATOM 365 CA GLY A 24 -12.030 -4.337 -3.624 1.00 0.00 C ATOM 366 C GLY A 24 -10.743 -3.603 -3.930 1.00 0.00 C ATOM 367 O GLY A 24 -10.614 -2.414 -3.645 1.00 0.00 O ATOM 0 H GLY A 24 -12.391 -6.254 -4.378 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.838 -3.616 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.928 -4.869 -2.678 1.00 0.00 H new ATOM 371 N LEU A 25 -9.796 -4.327 -4.516 1.00 0.00 N ATOM 372 CA LEU A 25 -8.531 -3.756 -4.964 1.00 0.00 C ATOM 373 C LEU A 25 -8.779 -2.570 -5.889 1.00 0.00 C ATOM 374 O LEU A 25 -8.343 -1.449 -5.618 1.00 0.00 O ATOM 375 CB LEU A 25 -7.718 -4.821 -5.713 1.00 0.00 C ATOM 376 CG LEU A 25 -6.422 -4.319 -6.374 1.00 0.00 C ATOM 377 CD1 LEU A 25 -5.312 -4.137 -5.341 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.994 -5.264 -7.497 1.00 0.00 C ATOM 0 H LEU A 25 -9.884 -5.327 -4.694 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.976 -3.415 -4.090 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -7.464 -5.618 -5.014 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.351 -5.262 -6.483 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.617 -3.341 -6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.409 -3.782 -5.837 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.626 -3.409 -4.594 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.108 -5.091 -4.855 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.076 -4.894 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.821 -6.260 -7.088 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.780 -5.313 -8.251 1.00 0.00 H new ATOM 390 N GLU A 26 -9.500 -2.832 -6.976 1.00 0.00 N ATOM 391 CA GLU A 26 -9.755 -1.823 -7.996 1.00 0.00 C ATOM 392 C GLU A 26 -10.618 -0.696 -7.431 1.00 0.00 C ATOM 393 O GLU A 26 -10.369 0.481 -7.696 1.00 0.00 O ATOM 394 CB GLU A 26 -10.427 -2.465 -9.217 1.00 0.00 C ATOM 395 CG GLU A 26 -10.644 -1.508 -10.390 1.00 0.00 C ATOM 396 CD GLU A 26 -9.348 -0.917 -10.933 1.00 0.00 C ATOM 397 OE1 GLU A 26 -8.529 -1.678 -11.488 1.00 0.00 O ATOM 398 OE2 GLU A 26 -9.141 0.310 -10.811 1.00 0.00 O ATOM 0 H GLU A 26 -9.920 -3.741 -7.172 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.804 -1.394 -8.311 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.817 -3.303 -9.555 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.391 -2.874 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.158 -2.038 -11.192 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.300 -0.697 -10.072 1.00 0.00 H new ATOM 405 N ALA A 27 -11.615 -1.062 -6.632 1.00 0.00 N ATOM 406 CA ALA A 27 -12.501 -0.082 -6.011 1.00 0.00 C ATOM 407 C ALA A 27 -11.713 0.858 -5.100 1.00 0.00 C ATOM 408 O ALA A 27 -11.878 2.081 -5.152 1.00 0.00 O ATOM 409 CB ALA A 27 -13.606 -0.784 -5.227 1.00 0.00 C ATOM 0 H ALA A 27 -11.830 -2.031 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.960 0.513 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.258 -0.039 -4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.189 -1.411 -5.902 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.162 -1.404 -4.448 1.00 0.00 H new ATOM 415 N PHE A 28 -10.836 0.280 -4.285 1.00 0.00 N ATOM 416 CA PHE A 28 -10.059 1.054 -3.328 1.00 0.00 C ATOM 417 C PHE A 28 -9.010 1.901 -4.038 1.00 0.00 C ATOM 418 O PHE A 28 -8.805 3.056 -3.680 1.00 0.00 O ATOM 419 CB PHE A 28 -9.392 0.142 -2.287 1.00 0.00 C ATOM 420 CG PHE A 28 -8.656 0.901 -1.207 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.357 1.611 -0.241 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.267 0.908 -1.157 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.691 2.311 0.746 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.597 1.607 -0.170 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.310 2.310 0.782 1.00 0.00 C ATOM 0 H PHE A 28 -10.647 -0.722 -4.270 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.747 1.720 -2.807 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.153 -0.486 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.693 -0.524 -2.793 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.437 1.616 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.704 0.361 -1.898 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -9.250 2.859 1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.517 1.603 -0.143 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.789 2.858 1.553 1.00 0.00 H new ATOM 435 N THR A 29 -8.352 1.340 -5.052 1.00 0.00 N ATOM 436 CA THR A 29 -7.302 2.067 -5.754 1.00 0.00 C ATOM 437 C THR A 29 -7.896 3.211 -6.582 1.00 0.00 C ATOM 438 O THR A 29 -7.374 4.323 -6.565 1.00 0.00 O ATOM 439 CB THR A 29 -6.423 1.149 -6.649 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.298 1.886 -7.145 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.199 0.578 -7.829 1.00 0.00 C ATOM 0 H THR A 29 -8.526 0.397 -5.400 1.00 0.00 H new ATOM 0 HA THR A 29 -6.647 2.481 -4.988 1.00 0.00 H new ATOM 0 HB THR A 29 -6.092 0.317 -6.028 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.747 1.302 -7.707 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.542 -0.056 -8.424 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.038 -0.013 -7.461 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.573 1.394 -8.447 1.00 0.00 H new ATOM 449 N ARG A 30 -9.013 2.959 -7.276 1.00 0.00 N ATOM 450 CA ARG A 30 -9.653 4.005 -8.080 1.00 0.00 C ATOM 451 C ARG A 30 -10.133 5.133 -7.173 1.00 0.00 C ATOM 452 O ARG A 30 -10.254 6.283 -7.599 1.00 0.00 O ATOM 453 CB ARG A 30 -10.819 3.448 -8.924 1.00 0.00 C ATOM 454 CG ARG A 30 -12.057 3.026 -8.121 1.00 0.00 C ATOM 455 CD ARG A 30 -13.266 3.926 -8.391 1.00 0.00 C ATOM 456 NE ARG A 30 -13.017 5.323 -8.019 1.00 0.00 N ATOM 457 CZ ARG A 30 -13.924 6.125 -7.460 1.00 0.00 C ATOM 458 NH1 ARG A 30 -15.163 5.700 -7.256 1.00 0.00 N ATOM 459 NH2 ARG A 30 -13.591 7.361 -7.121 1.00 0.00 N ATOM 0 H ARG A 30 -9.485 2.055 -7.297 1.00 0.00 H new ATOM 0 HA ARG A 30 -8.912 4.396 -8.777 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -11.116 4.205 -9.650 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -10.460 2.588 -9.489 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.313 1.996 -8.368 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -11.821 3.049 -7.057 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -13.525 3.875 -9.449 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.125 3.552 -7.834 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.089 5.706 -8.200 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -15.429 4.753 -7.527 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -15.851 6.320 -6.828 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.643 7.698 -7.288 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.283 7.976 -6.693 1.00 0.00 H new ATOM 473 N PHE A 31 -10.426 4.784 -5.926 1.00 0.00 N ATOM 474 CA PHE A 31 -10.775 5.764 -4.907 1.00 0.00 C ATOM 475 C PHE A 31 -9.510 6.466 -4.408 1.00 0.00 C ATOM 476 O PHE A 31 -9.461 7.688 -4.294 1.00 0.00 O ATOM 477 CB PHE A 31 -11.498 5.061 -3.749 1.00 0.00 C ATOM 478 CG PHE A 31 -11.874 5.970 -2.606 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.974 6.810 -2.704 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.127 5.983 -1.435 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.320 7.642 -1.659 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.471 6.813 -0.388 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.568 7.643 -0.501 1.00 0.00 C ATOM 0 H PHE A 31 -10.428 3.819 -5.595 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.441 6.515 -5.332 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.402 4.589 -4.134 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.859 4.264 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.566 6.813 -3.608 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.267 5.336 -1.343 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -14.178 8.292 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.883 6.813 0.518 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.838 8.294 0.317 1.00 0.00 H new ATOM 493 N LEU A 32 -8.474 5.675 -4.166 1.00 0.00 N ATOM 494 CA LEU A 32 -7.213 6.166 -3.613 1.00 0.00 C ATOM 495 C LEU A 32 -6.468 7.029 -4.639 1.00 0.00 C ATOM 496 O LEU A 32 -5.552 7.783 -4.299 1.00 0.00 O ATOM 497 CB LEU A 32 -6.347 4.966 -3.185 1.00 0.00 C ATOM 498 CG LEU A 32 -5.127 5.292 -2.311 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.563 5.910 -0.985 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.287 4.038 -2.069 1.00 0.00 C ATOM 0 H LEU A 32 -8.481 4.671 -4.347 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.422 6.790 -2.744 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.979 4.262 -2.643 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.999 4.456 -4.083 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.512 6.019 -2.841 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.684 6.133 -0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.115 6.830 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.202 5.208 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.428 4.290 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.893 3.286 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.941 3.642 -3.024 1.00 0.00 H new ATOM 512 N LYS A 33 -6.870 6.912 -5.900 1.00 0.00 N ATOM 513 CA LYS A 33 -6.262 7.684 -6.982 1.00 0.00 C ATOM 514 C LYS A 33 -6.846 9.092 -7.061 1.00 0.00 C ATOM 515 O LYS A 33 -6.234 9.982 -7.649 1.00 0.00 O ATOM 516 CB LYS A 33 -6.424 6.955 -8.326 1.00 0.00 C ATOM 517 CG LYS A 33 -5.540 5.718 -8.443 1.00 0.00 C ATOM 518 CD LYS A 33 -5.797 4.933 -9.725 1.00 0.00 C ATOM 519 CE LYS A 33 -4.894 3.706 -9.812 1.00 0.00 C ATOM 520 NZ LYS A 33 -5.208 2.859 -10.992 1.00 0.00 N ATOM 0 H LYS A 33 -7.618 6.287 -6.201 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.198 7.778 -6.764 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.467 6.663 -8.451 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.186 7.643 -9.137 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.493 6.020 -8.410 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.713 5.070 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.841 4.622 -9.761 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.626 5.576 -10.588 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.853 4.026 -9.864 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.001 3.114 -8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -4.570 2.038 -11.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.193 2.531 -10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.081 3.415 -11.862 1.00 0.00 H new ATOM 534 N THR A 34 -8.013 9.306 -6.454 1.00 0.00 N ATOM 535 CA THR A 34 -8.631 10.631 -6.461 1.00 0.00 C ATOM 536 C THR A 34 -7.845 11.570 -5.540 1.00 0.00 C ATOM 537 O THR A 34 -7.801 12.783 -5.750 1.00 0.00 O ATOM 538 CB THR A 34 -10.124 10.582 -6.034 1.00 0.00 C ATOM 539 OG1 THR A 34 -10.809 11.742 -6.523 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.284 10.513 -4.515 1.00 0.00 C ATOM 0 H THR A 34 -8.543 8.590 -5.958 1.00 0.00 H new ATOM 0 HA THR A 34 -8.602 11.008 -7.483 1.00 0.00 H new ATOM 0 HB THR A 34 -10.554 9.677 -6.463 1.00 0.00 H new ATOM 0 HG1 THR A 34 -11.750 11.705 -6.252 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.344 10.480 -4.262 1.00 0.00 H new ATOM 0 HG22 THR A 34 -9.793 9.616 -4.138 1.00 0.00 H new ATOM 0 HG23 THR A 34 -9.829 11.393 -4.061 1.00 0.00 H new ATOM 548 N GLU A 35 -7.218 10.979 -4.524 1.00 0.00 N ATOM 549 CA GLU A 35 -6.365 11.709 -3.587 1.00 0.00 C ATOM 550 C GLU A 35 -4.890 11.478 -3.922 1.00 0.00 C ATOM 551 O GLU A 35 -3.999 12.029 -3.272 1.00 0.00 O ATOM 552 CB GLU A 35 -6.662 11.252 -2.152 1.00 0.00 C ATOM 553 CG GLU A 35 -6.506 9.748 -1.944 1.00 0.00 C ATOM 554 CD GLU A 35 -6.827 9.318 -0.523 1.00 0.00 C ATOM 555 OE1 GLU A 35 -5.920 9.368 0.334 1.00 0.00 O ATOM 556 OE2 GLU A 35 -7.989 8.941 -0.256 1.00 0.00 O ATOM 0 H GLU A 35 -7.287 9.981 -4.327 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.576 12.775 -3.672 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.995 11.776 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.679 11.543 -1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.161 9.219 -2.636 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.484 9.456 -2.186 1.00 0.00 H new ATOM 563 N PHE A 36 -4.656 10.654 -4.949 1.00 0.00 N ATOM 564 CA PHE A 36 -3.310 10.309 -5.409 1.00 0.00 C ATOM 565 C PHE A 36 -2.441 9.800 -4.258 1.00 0.00 C ATOM 566 O PHE A 36 -1.493 10.462 -3.830 1.00 0.00 O ATOM 567 CB PHE A 36 -2.650 11.506 -6.111 1.00 0.00 C ATOM 568 CG PHE A 36 -3.419 11.984 -7.318 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.257 11.363 -8.550 1.00 0.00 C ATOM 570 CD2 PHE A 36 -4.312 13.041 -7.219 1.00 0.00 C ATOM 571 CE1 PHE A 36 -3.967 11.791 -9.654 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.025 13.470 -8.321 1.00 0.00 C ATOM 573 CZ PHE A 36 -4.853 12.845 -9.540 1.00 0.00 C ATOM 0 H PHE A 36 -5.399 10.207 -5.486 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.403 9.500 -6.133 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.553 12.327 -5.401 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.641 11.229 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.568 10.537 -8.645 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.451 13.534 -6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.830 11.302 -10.607 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.717 14.294 -8.229 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.410 13.179 -10.403 1.00 0.00 H new ATOM 583 N SER A 37 -2.799 8.630 -3.744 1.00 0.00 N ATOM 584 CA SER A 37 -2.042 7.987 -2.676 1.00 0.00 C ATOM 585 C SER A 37 -1.801 6.512 -3.021 1.00 0.00 C ATOM 586 O SER A 37 -1.351 5.724 -2.184 1.00 0.00 O ATOM 587 CB SER A 37 -2.799 8.133 -1.346 1.00 0.00 C ATOM 588 OG SER A 37 -2.051 7.624 -0.255 1.00 0.00 O ATOM 0 H SER A 37 -3.616 8.103 -4.052 1.00 0.00 H new ATOM 0 HA SER A 37 -1.071 8.471 -2.571 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.027 9.184 -1.171 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.751 7.607 -1.410 1.00 0.00 H new ATOM 0 HG SER A 37 -2.563 7.735 0.573 1.00 0.00 H new ATOM 594 N GLU A 38 -2.074 6.152 -4.279 1.00 0.00 N ATOM 595 CA GLU A 38 -1.881 4.780 -4.762 1.00 0.00 C ATOM 596 C GLU A 38 -0.402 4.385 -4.714 1.00 0.00 C ATOM 597 O GLU A 38 -0.059 3.199 -4.757 1.00 0.00 O ATOM 598 CB GLU A 38 -2.459 4.613 -6.182 1.00 0.00 C ATOM 599 CG GLU A 38 -2.362 5.858 -7.069 1.00 0.00 C ATOM 600 CD GLU A 38 -0.943 6.361 -7.268 1.00 0.00 C ATOM 601 OE1 GLU A 38 -0.243 5.838 -8.161 1.00 0.00 O ATOM 602 OE2 GLU A 38 -0.529 7.286 -6.535 1.00 0.00 O ATOM 0 H GLU A 38 -2.431 6.795 -4.985 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.425 4.107 -4.099 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.939 3.792 -6.676 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.507 4.324 -6.100 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.798 5.634 -8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.961 6.654 -6.628 1.00 0.00 H new ATOM 609 N GLU A 39 0.454 5.402 -4.625 1.00 0.00 N ATOM 610 CA GLU A 39 1.887 5.226 -4.393 1.00 0.00 C ATOM 611 C GLU A 39 2.143 4.176 -3.309 1.00 0.00 C ATOM 612 O GLU A 39 3.021 3.324 -3.441 1.00 0.00 O ATOM 613 CB GLU A 39 2.492 6.568 -3.954 1.00 0.00 C ATOM 614 CG GLU A 39 1.704 7.228 -2.821 1.00 0.00 C ATOM 615 CD GLU A 39 2.353 8.485 -2.271 1.00 0.00 C ATOM 616 OE1 GLU A 39 2.216 9.558 -2.896 1.00 0.00 O ATOM 617 OE2 GLU A 39 2.978 8.408 -1.195 1.00 0.00 O ATOM 0 H GLU A 39 0.171 6.378 -4.712 1.00 0.00 H new ATOM 0 HA GLU A 39 2.351 4.885 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.521 6.410 -3.631 1.00 0.00 H new ATOM 0 HB3 GLU A 39 2.526 7.243 -4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 39 0.705 7.475 -3.182 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.582 6.510 -2.010 1.00 0.00 H new ATOM 624 N ASN A 40 1.344 4.247 -2.248 1.00 0.00 N ATOM 625 CA ASN A 40 1.499 3.386 -1.083 1.00 0.00 C ATOM 626 C ASN A 40 1.264 1.918 -1.439 1.00 0.00 C ATOM 627 O ASN A 40 2.050 1.033 -1.061 1.00 0.00 O ATOM 628 CB ASN A 40 0.527 3.830 0.018 1.00 0.00 C ATOM 629 CG ASN A 40 0.901 5.175 0.621 1.00 0.00 C ATOM 630 OD1 ASN A 40 1.720 5.252 1.537 1.00 0.00 O ATOM 631 ND2 ASN A 40 0.282 6.240 0.135 1.00 0.00 N ATOM 0 H ASN A 40 0.569 4.906 -2.173 1.00 0.00 H new ATOM 0 HA ASN A 40 2.523 3.478 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.481 3.888 -0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 40 0.507 3.076 0.805 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.478 7.164 0.520 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.391 6.136 -0.625 1.00 0.00 H new ATOM 638 N ILE A 41 0.189 1.663 -2.177 1.00 0.00 N ATOM 639 CA ILE A 41 -0.147 0.307 -2.588 1.00 0.00 C ATOM 640 C ILE A 41 0.976 -0.278 -3.442 1.00 0.00 C ATOM 641 O ILE A 41 1.493 -1.358 -3.147 1.00 0.00 O ATOM 642 CB ILE A 41 -1.501 0.252 -3.350 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.657 0.613 -2.397 1.00 0.00 C ATOM 644 CG2 ILE A 41 -1.722 -1.127 -3.977 1.00 0.00 C ATOM 645 CD1 ILE A 41 -4.043 0.459 -3.001 1.00 0.00 C ATOM 0 H ILE A 41 -0.463 2.377 -2.502 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.259 -0.296 -1.687 1.00 0.00 H new ATOM 0 HB ILE A 41 -1.474 0.982 -4.159 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -2.589 -0.016 -1.509 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.531 1.644 -2.067 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -2.676 -1.138 -4.504 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -0.917 -1.340 -4.680 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.731 -1.885 -3.194 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.795 0.734 -2.261 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.135 1.109 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.195 -0.577 -3.305 1.00 0.00 H new ATOM 657 N GLU A 42 1.383 0.456 -4.474 1.00 0.00 N ATOM 658 CA GLU A 42 2.478 0.014 -5.336 1.00 0.00 C ATOM 659 C GLU A 42 3.796 -0.058 -4.566 1.00 0.00 C ATOM 660 O GLU A 42 4.705 -0.801 -4.953 1.00 0.00 O ATOM 661 CB GLU A 42 2.640 0.936 -6.551 1.00 0.00 C ATOM 662 CG GLU A 42 1.641 0.667 -7.672 1.00 0.00 C ATOM 663 CD GLU A 42 2.002 1.402 -8.954 1.00 0.00 C ATOM 664 OE1 GLU A 42 3.074 1.108 -9.527 1.00 0.00 O ATOM 665 OE2 GLU A 42 1.238 2.288 -9.388 1.00 0.00 O ATOM 0 H GLU A 42 0.975 1.354 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 42 2.222 -0.985 -5.688 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.535 1.971 -6.225 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.650 0.827 -6.945 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.599 -0.404 -7.869 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.645 0.971 -7.349 1.00 0.00 H new ATOM 672 N PHE A 43 3.897 0.713 -3.484 1.00 0.00 N ATOM 673 CA PHE A 43 5.105 0.733 -2.663 1.00 0.00 C ATOM 674 C PHE A 43 5.420 -0.663 -2.132 1.00 0.00 C ATOM 675 O PHE A 43 6.478 -1.222 -2.437 1.00 0.00 O ATOM 676 CB PHE A 43 4.962 1.727 -1.498 1.00 0.00 C ATOM 677 CG PHE A 43 6.168 1.780 -0.589 1.00 0.00 C ATOM 678 CD1 PHE A 43 7.263 2.572 -0.909 1.00 0.00 C ATOM 679 CD2 PHE A 43 6.208 1.033 0.582 1.00 0.00 C ATOM 680 CE1 PHE A 43 8.367 2.618 -0.080 1.00 0.00 C ATOM 681 CE2 PHE A 43 7.310 1.078 1.411 1.00 0.00 C ATOM 682 CZ PHE A 43 8.391 1.870 1.081 1.00 0.00 C ATOM 0 H PHE A 43 3.156 1.332 -3.156 1.00 0.00 H new ATOM 0 HA PHE A 43 5.932 1.060 -3.293 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.780 2.723 -1.903 1.00 0.00 H new ATOM 0 HB3 PHE A 43 4.086 1.457 -0.908 1.00 0.00 H new ATOM 0 HD1 PHE A 43 7.251 3.158 -1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 43 5.367 0.410 0.846 1.00 0.00 H new ATOM 0 HE1 PHE A 43 9.212 3.239 -0.340 1.00 0.00 H new ATOM 0 HE2 PHE A 43 7.327 0.493 2.319 1.00 0.00 H new ATOM 0 HZ PHE A 43 9.254 1.905 1.729 1.00 0.00 H new ATOM 692 N TRP A 44 4.507 -1.240 -1.347 1.00 0.00 N ATOM 693 CA TRP A 44 4.768 -2.567 -0.781 1.00 0.00 C ATOM 694 C TRP A 44 4.598 -3.674 -1.823 1.00 0.00 C ATOM 695 O TRP A 44 5.097 -4.786 -1.633 1.00 0.00 O ATOM 696 CB TRP A 44 3.954 -2.859 0.498 1.00 0.00 C ATOM 697 CG TRP A 44 2.531 -2.381 0.515 1.00 0.00 C ATOM 698 CD1 TRP A 44 2.044 -1.330 1.236 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.407 -2.947 -0.171 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.693 -1.206 1.045 1.00 0.00 N ATOM 701 CE2 TRP A 44 0.278 -2.181 0.177 1.00 0.00 C ATOM 702 CE3 TRP A 44 1.247 -4.021 -1.049 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -0.993 -2.458 -0.320 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.014 -4.293 -1.545 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.119 -3.515 -1.179 1.00 0.00 C ATOM 0 H TRP A 44 3.609 -0.827 -1.094 1.00 0.00 H new ATOM 0 HA TRP A 44 5.814 -2.557 -0.475 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.953 -3.937 0.662 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.475 -2.408 1.343 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.639 -0.687 1.868 1.00 0.00 H new ATOM 0 HE1 TRP A 44 0.094 -0.503 1.478 1.00 0.00 H new ATOM 0 HE3 TRP A 44 2.093 -4.628 -1.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.847 -1.861 -0.038 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.149 -5.120 -2.227 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.091 -3.754 -1.583 1.00 0.00 H new ATOM 716 N ILE A 45 3.915 -3.372 -2.927 1.00 0.00 N ATOM 717 CA ILE A 45 3.873 -4.292 -4.065 1.00 0.00 C ATOM 718 C ILE A 45 5.292 -4.517 -4.595 1.00 0.00 C ATOM 719 O ILE A 45 5.717 -5.657 -4.812 1.00 0.00 O ATOM 720 CB ILE A 45 2.954 -3.770 -5.207 1.00 0.00 C ATOM 721 CG1 ILE A 45 1.473 -3.901 -4.810 1.00 0.00 C ATOM 722 CG2 ILE A 45 3.222 -4.505 -6.522 1.00 0.00 C ATOM 723 CD1 ILE A 45 0.502 -3.439 -5.879 1.00 0.00 C ATOM 0 H ILE A 45 3.389 -2.508 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 45 3.452 -5.235 -3.716 1.00 0.00 H new ATOM 0 HB ILE A 45 3.184 -2.716 -5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.263 -4.943 -4.570 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.299 -3.323 -3.902 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.563 -4.115 -7.298 1.00 0.00 H new ATOM 0 HG22 ILE A 45 4.260 -4.354 -6.818 1.00 0.00 H new ATOM 0 HG23 ILE A 45 3.034 -5.570 -6.388 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.520 -3.564 -5.521 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.682 -2.388 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 45 0.645 -4.033 -6.782 1.00 0.00 H new ATOM 735 N ALA A 46 6.027 -3.417 -4.768 1.00 0.00 N ATOM 736 CA ALA A 46 7.409 -3.472 -5.241 1.00 0.00 C ATOM 737 C ALA A 46 8.300 -4.170 -4.218 1.00 0.00 C ATOM 738 O ALA A 46 9.239 -4.884 -4.576 1.00 0.00 O ATOM 739 CB ALA A 46 7.927 -2.066 -5.528 1.00 0.00 C ATOM 0 H ALA A 46 5.685 -2.473 -4.586 1.00 0.00 H new ATOM 0 HA ALA A 46 7.434 -4.048 -6.166 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.957 -2.122 -5.879 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.307 -1.599 -6.294 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.887 -1.470 -4.616 1.00 0.00 H new ATOM 745 N CYS A 47 7.990 -3.967 -2.940 1.00 0.00 N ATOM 746 CA CYS A 47 8.743 -4.594 -1.856 1.00 0.00 C ATOM 747 C CYS A 47 8.658 -6.117 -1.956 1.00 0.00 C ATOM 748 O CYS A 47 9.653 -6.819 -1.771 1.00 0.00 O ATOM 749 CB CYS A 47 8.218 -4.124 -0.494 1.00 0.00 C ATOM 750 SG CYS A 47 9.128 -4.797 0.919 1.00 0.00 S ATOM 0 H CYS A 47 7.222 -3.373 -2.629 1.00 0.00 H new ATOM 0 HA CYS A 47 9.787 -4.296 -1.949 1.00 0.00 H new ATOM 0 HB2 CYS A 47 8.261 -3.036 -0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 47 7.169 -4.405 -0.404 1.00 0.00 H new ATOM 0 HG CYS A 47 8.318 -4.948 1.924 1.00 0.00 H new ATOM 756 N GLU A 48 7.468 -6.627 -2.267 1.00 0.00 N ATOM 757 CA GLU A 48 7.274 -8.066 -2.408 1.00 0.00 C ATOM 758 C GLU A 48 7.953 -8.563 -3.687 1.00 0.00 C ATOM 759 O GLU A 48 8.418 -9.706 -3.761 1.00 0.00 O ATOM 760 CB GLU A 48 5.781 -8.419 -2.423 1.00 0.00 C ATOM 761 CG GLU A 48 5.504 -9.914 -2.259 1.00 0.00 C ATOM 762 CD GLU A 48 5.737 -10.420 -0.837 1.00 0.00 C ATOM 763 OE1 GLU A 48 6.895 -10.391 -0.358 1.00 0.00 O ATOM 764 OE2 GLU A 48 4.758 -10.853 -0.192 1.00 0.00 O ATOM 0 H GLU A 48 6.629 -6.068 -2.425 1.00 0.00 H new ATOM 0 HA GLU A 48 7.729 -8.561 -1.550 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.280 -7.875 -1.623 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.345 -8.078 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.472 -10.119 -2.545 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.142 -10.472 -2.945 1.00 0.00 H new ATOM 771 N ASP A 49 8.005 -7.702 -4.702 1.00 0.00 N ATOM 772 CA ASP A 49 8.728 -8.019 -5.935 1.00 0.00 C ATOM 773 C ASP A 49 10.216 -8.120 -5.646 1.00 0.00 C ATOM 774 O ASP A 49 10.936 -8.903 -6.265 1.00 0.00 O ATOM 775 CB ASP A 49 8.462 -6.973 -7.031 1.00 0.00 C ATOM 776 CG ASP A 49 7.038 -7.022 -7.563 1.00 0.00 C ATOM 777 OD1 ASP A 49 6.464 -8.132 -7.645 1.00 0.00 O ATOM 778 OD2 ASP A 49 6.489 -5.957 -7.917 1.00 0.00 O ATOM 0 H ASP A 49 7.559 -6.785 -4.697 1.00 0.00 H new ATOM 0 HA ASP A 49 8.366 -8.979 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 49 8.662 -5.978 -6.633 1.00 0.00 H new ATOM 0 HB3 ASP A 49 9.158 -7.132 -7.855 1.00 0.00 H new ATOM 783 N PHE A 50 10.657 -7.327 -4.684 1.00 0.00 N ATOM 784 CA PHE A 50 12.035 -7.348 -4.219 1.00 0.00 C ATOM 785 C PHE A 50 12.321 -8.639 -3.456 1.00 0.00 C ATOM 786 O PHE A 50 13.415 -9.195 -3.547 1.00 0.00 O ATOM 787 CB PHE A 50 12.282 -6.101 -3.351 1.00 0.00 C ATOM 788 CG PHE A 50 13.531 -6.130 -2.501 1.00 0.00 C ATOM 789 CD1 PHE A 50 14.778 -5.878 -3.053 1.00 0.00 C ATOM 790 CD2 PHE A 50 13.447 -6.384 -1.137 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.913 -5.880 -2.264 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.579 -6.391 -0.347 1.00 0.00 C ATOM 793 CZ PHE A 50 15.813 -6.138 -0.910 1.00 0.00 C ATOM 0 H PHE A 50 10.068 -6.648 -4.202 1.00 0.00 H new ATOM 0 HA PHE A 50 12.719 -7.324 -5.067 1.00 0.00 H new ATOM 0 HB2 PHE A 50 12.330 -5.230 -4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 50 11.422 -5.961 -2.696 1.00 0.00 H new ATOM 0 HD1 PHE A 50 14.863 -5.678 -4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.484 -6.578 -0.689 1.00 0.00 H new ATOM 0 HE1 PHE A 50 16.878 -5.680 -2.706 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.499 -6.594 0.711 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.700 -6.142 -0.293 1.00 0.00 H new ATOM 803 N LYS A 51 11.320 -9.118 -2.723 1.00 0.00 N ATOM 804 CA LYS A 51 11.421 -10.391 -2.010 1.00 0.00 C ATOM 805 C LYS A 51 11.707 -11.536 -2.985 1.00 0.00 C ATOM 806 O LYS A 51 12.431 -12.479 -2.654 1.00 0.00 O ATOM 807 CB LYS A 51 10.130 -10.649 -1.212 1.00 0.00 C ATOM 808 CG LYS A 51 10.024 -12.039 -0.575 1.00 0.00 C ATOM 809 CD LYS A 51 9.143 -12.982 -1.399 1.00 0.00 C ATOM 810 CE LYS A 51 9.000 -14.353 -0.746 1.00 0.00 C ATOM 811 NZ LYS A 51 10.271 -15.124 -0.776 1.00 0.00 N ATOM 0 H LYS A 51 10.425 -8.643 -2.606 1.00 0.00 H new ATOM 0 HA LYS A 51 12.254 -10.339 -1.309 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.052 -9.899 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.277 -10.505 -1.875 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.021 -12.469 -0.475 1.00 0.00 H new ATOM 0 HG3 LYS A 51 9.614 -11.947 0.431 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.156 -12.537 -1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 51 9.570 -13.098 -2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 51 8.676 -14.229 0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 51 8.222 -14.918 -1.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.114 -16.068 -0.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.595 -15.222 -1.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 10.994 -14.623 -0.222 1.00 0.00 H new ATOM 825 N LYS A 52 11.130 -11.450 -4.184 1.00 0.00 N ATOM 826 CA LYS A 52 11.402 -12.430 -5.239 1.00 0.00 C ATOM 827 C LYS A 52 12.895 -12.481 -5.569 1.00 0.00 C ATOM 828 O LYS A 52 13.487 -13.561 -5.656 1.00 0.00 O ATOM 829 CB LYS A 52 10.604 -12.115 -6.518 1.00 0.00 C ATOM 830 CG LYS A 52 9.298 -12.897 -6.653 1.00 0.00 C ATOM 831 CD LYS A 52 8.137 -12.265 -5.888 1.00 0.00 C ATOM 832 CE LYS A 52 7.508 -11.126 -6.685 1.00 0.00 C ATOM 833 NZ LYS A 52 6.408 -10.459 -5.942 1.00 0.00 N ATOM 0 H LYS A 52 10.474 -10.716 -4.449 1.00 0.00 H new ATOM 0 HA LYS A 52 11.087 -13.403 -4.861 1.00 0.00 H new ATOM 0 HB2 LYS A 52 10.379 -11.049 -6.539 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.231 -12.325 -7.384 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.033 -12.970 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.452 -13.914 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.383 -13.023 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.492 -11.889 -4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 52 8.275 -10.391 -6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 52 7.123 -11.514 -7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 6.229 -9.521 -6.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.545 -11.036 -6.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.679 -10.352 -4.944 1.00 0.00 H new ATOM 847 N SER A 53 13.496 -11.311 -5.754 1.00 0.00 N ATOM 848 CA SER A 53 14.906 -11.222 -6.106 1.00 0.00 C ATOM 849 C SER A 53 15.785 -11.529 -4.892 1.00 0.00 C ATOM 850 O SER A 53 16.294 -10.627 -4.230 1.00 0.00 O ATOM 851 CB SER A 53 15.217 -9.837 -6.693 1.00 0.00 C ATOM 852 OG SER A 53 14.606 -8.806 -5.933 1.00 0.00 O ATOM 0 H SER A 53 13.027 -10.410 -5.666 1.00 0.00 H new ATOM 0 HA SER A 53 15.129 -11.969 -6.868 1.00 0.00 H new ATOM 0 HB2 SER A 53 16.296 -9.684 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.865 -9.789 -7.724 1.00 0.00 H new ATOM 0 HG SER A 53 14.441 -9.126 -5.021 1.00 0.00 H new ATOM 858 N LYS A 54 15.937 -12.821 -4.608 1.00 0.00 N ATOM 859 CA LYS A 54 16.679 -13.296 -3.436 1.00 0.00 C ATOM 860 C LYS A 54 18.188 -13.389 -3.694 1.00 0.00 C ATOM 861 O LYS A 54 18.924 -13.974 -2.894 1.00 0.00 O ATOM 862 CB LYS A 54 16.114 -14.659 -2.976 1.00 0.00 C ATOM 863 CG LYS A 54 15.796 -15.647 -4.107 1.00 0.00 C ATOM 864 CD LYS A 54 17.043 -16.118 -4.855 1.00 0.00 C ATOM 865 CE LYS A 54 16.702 -17.100 -5.970 1.00 0.00 C ATOM 866 NZ LYS A 54 16.037 -18.324 -5.452 1.00 0.00 N ATOM 0 H LYS A 54 15.550 -13.570 -5.182 1.00 0.00 H new ATOM 0 HA LYS A 54 16.546 -12.562 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.832 -15.123 -2.300 1.00 0.00 H new ATOM 0 HB3 LYS A 54 15.204 -14.483 -2.402 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.279 -16.512 -3.692 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.112 -15.176 -4.813 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.560 -15.256 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.730 -16.590 -4.153 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.050 -16.613 -6.695 1.00 0.00 H new ATOM 0 HE3 LYS A 54 17.614 -17.379 -6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 16.006 -19.045 -6.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 16.571 -18.691 -4.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 15.068 -18.093 -5.154 1.00 0.00 H new ATOM 880 N GLY A 55 18.642 -12.827 -4.810 1.00 0.00 N ATOM 881 CA GLY A 55 20.064 -12.814 -5.112 1.00 0.00 C ATOM 882 C GLY A 55 20.826 -11.897 -4.169 1.00 0.00 C ATOM 883 O GLY A 55 20.469 -10.728 -4.043 1.00 0.00 O ATOM 0 H GLY A 55 18.051 -12.380 -5.511 1.00 0.00 H new ATOM 0 HA2 GLY A 55 20.462 -13.826 -5.038 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.215 -12.487 -6.141 1.00 0.00 H new ATOM 887 N PRO A 56 21.888 -12.392 -3.498 1.00 0.00 N ATOM 888 CA PRO A 56 22.611 -11.622 -2.472 1.00 0.00 C ATOM 889 C PRO A 56 23.067 -10.244 -2.965 1.00 0.00 C ATOM 890 O PRO A 56 22.857 -9.235 -2.290 1.00 0.00 O ATOM 891 CB PRO A 56 23.816 -12.511 -2.135 1.00 0.00 C ATOM 892 CG PRO A 56 23.381 -13.891 -2.500 1.00 0.00 C ATOM 893 CD PRO A 56 22.473 -13.735 -3.690 1.00 0.00 C ATOM 0 HA PRO A 56 21.975 -11.404 -1.614 1.00 0.00 H new ATOM 0 HB2 PRO A 56 24.699 -12.212 -2.699 1.00 0.00 H new ATOM 0 HB3 PRO A 56 24.075 -12.444 -1.078 1.00 0.00 H new ATOM 0 HG2 PRO A 56 24.238 -14.520 -2.742 1.00 0.00 H new ATOM 0 HG3 PRO A 56 22.860 -14.369 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 56 23.024 -13.803 -4.628 1.00 0.00 H new ATOM 0 HD3 PRO A 56 21.705 -14.508 -3.714 1.00 0.00 H new ATOM 901 N GLN A 57 23.680 -10.203 -4.146 1.00 0.00 N ATOM 902 CA GLN A 57 24.134 -8.941 -4.729 1.00 0.00 C ATOM 903 C GLN A 57 22.934 -8.172 -5.272 1.00 0.00 C ATOM 904 O GLN A 57 22.825 -6.953 -5.107 1.00 0.00 O ATOM 905 CB GLN A 57 25.147 -9.192 -5.853 1.00 0.00 C ATOM 906 CG GLN A 57 26.351 -10.024 -5.424 1.00 0.00 C ATOM 907 CD GLN A 57 27.375 -10.197 -6.535 1.00 0.00 C ATOM 908 OE1 GLN A 57 27.551 -9.317 -7.382 1.00 0.00 O ATOM 909 NE2 GLN A 57 28.053 -11.334 -6.545 1.00 0.00 N ATOM 0 H GLN A 57 23.874 -11.026 -4.717 1.00 0.00 H new ATOM 0 HA GLN A 57 24.625 -8.354 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 57 24.643 -9.697 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 57 25.497 -8.233 -6.234 1.00 0.00 H new ATOM 0 HG2 GLN A 57 26.828 -9.549 -4.567 1.00 0.00 H new ATOM 0 HG3 GLN A 57 26.010 -11.005 -5.095 1.00 0.00 H new ATOM 0 HE21 GLN A 57 27.879 -12.038 -5.827 1.00 0.00 H new ATOM 0 HE22 GLN A 57 28.749 -11.506 -7.270 1.00 0.00 H new ATOM 918 N GLN A 58 22.028 -8.919 -5.900 1.00 0.00 N ATOM 919 CA GLN A 58 20.800 -8.368 -6.468 1.00 0.00 C ATOM 920 C GLN A 58 20.059 -7.521 -5.434 1.00 0.00 C ATOM 921 O GLN A 58 19.525 -6.463 -5.763 1.00 0.00 O ATOM 922 CB GLN A 58 19.908 -9.517 -6.965 1.00 0.00 C ATOM 923 CG GLN A 58 18.551 -9.090 -7.520 1.00 0.00 C ATOM 924 CD GLN A 58 18.653 -8.197 -8.744 1.00 0.00 C ATOM 925 OE1 GLN A 58 18.627 -6.894 -8.533 1.00 0.00 O flip ATOM 926 NE2 GLN A 58 18.738 -8.680 -9.873 1.00 0.00 N flip ATOM 0 H GLN A 58 22.125 -9.926 -6.029 1.00 0.00 H new ATOM 0 HA GLN A 58 21.054 -7.722 -7.308 1.00 0.00 H new ATOM 0 HB2 GLN A 58 20.445 -10.064 -7.741 1.00 0.00 H new ATOM 0 HB3 GLN A 58 19.744 -10.211 -6.141 1.00 0.00 H new ATOM 0 HG2 GLN A 58 17.975 -9.980 -7.776 1.00 0.00 H new ATOM 0 HG3 GLN A 58 17.998 -8.565 -6.742 1.00 0.00 H new ATOM 0 HE21 GLN A 58 18.755 -9.693 -9.995 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.791 -8.068 -10.687 1.00 0.00 H new ATOM 935 N ILE A 59 20.059 -7.990 -4.186 1.00 0.00 N ATOM 936 CA ILE A 59 19.406 -7.299 -3.074 1.00 0.00 C ATOM 937 C ILE A 59 19.823 -5.828 -3.002 1.00 0.00 C ATOM 938 O ILE A 59 18.979 -4.935 -2.914 1.00 0.00 O ATOM 939 CB ILE A 59 19.737 -7.992 -1.720 1.00 0.00 C ATOM 940 CG1 ILE A 59 19.074 -9.379 -1.637 1.00 0.00 C ATOM 941 CG2 ILE A 59 19.313 -7.125 -0.535 1.00 0.00 C ATOM 942 CD1 ILE A 59 17.560 -9.344 -1.673 1.00 0.00 C ATOM 0 H ILE A 59 20.513 -8.863 -3.917 1.00 0.00 H new ATOM 0 HA ILE A 59 18.332 -7.349 -3.255 1.00 0.00 H new ATOM 0 HB ILE A 59 20.818 -8.123 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 59 19.432 -9.991 -2.465 1.00 0.00 H new ATOM 0 HG13 ILE A 59 19.394 -9.868 -0.717 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.558 -7.636 0.396 1.00 0.00 H new ATOM 0 HG22 ILE A 59 19.840 -6.172 -0.575 1.00 0.00 H new ATOM 0 HG23 ILE A 59 18.238 -6.948 -0.580 1.00 0.00 H new ATOM 0 HD11 ILE A 59 17.171 -10.360 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 59 17.189 -8.761 -0.830 1.00 0.00 H new ATOM 0 HD13 ILE A 59 17.229 -8.886 -2.605 1.00 0.00 H new ATOM 954 N HIS A 60 21.128 -5.585 -3.072 1.00 0.00 N ATOM 955 CA HIS A 60 21.670 -4.242 -2.865 1.00 0.00 C ATOM 956 C HIS A 60 21.265 -3.307 -4.003 1.00 0.00 C ATOM 957 O HIS A 60 20.682 -2.246 -3.771 1.00 0.00 O ATOM 958 CB HIS A 60 23.201 -4.286 -2.736 1.00 0.00 C ATOM 959 CG HIS A 60 23.692 -5.148 -1.608 1.00 0.00 C ATOM 960 ND1 HIS A 60 24.209 -4.641 -0.433 1.00 0.00 N ATOM 961 CD2 HIS A 60 23.752 -6.494 -1.487 1.00 0.00 C ATOM 962 CE1 HIS A 60 24.563 -5.640 0.357 1.00 0.00 C ATOM 963 NE2 HIS A 60 24.295 -6.773 -0.259 1.00 0.00 N ATOM 0 H HIS A 60 21.831 -6.297 -3.270 1.00 0.00 H new ATOM 0 HA HIS A 60 21.253 -3.855 -1.936 1.00 0.00 H new ATOM 0 HB2 HIS A 60 23.624 -4.653 -3.671 1.00 0.00 H new ATOM 0 HB3 HIS A 60 23.573 -3.271 -2.594 1.00 0.00 H new ATOM 0 HD1 HIS A 60 24.303 -3.650 -0.209 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.431 -7.217 -2.223 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.998 -5.544 1.341 1.00 0.00 H new ATOM 972 N LEU A 61 21.560 -3.715 -5.237 1.00 0.00 N ATOM 973 CA LEU A 61 21.288 -2.877 -6.405 1.00 0.00 C ATOM 974 C LEU A 61 19.781 -2.752 -6.655 1.00 0.00 C ATOM 975 O LEU A 61 19.316 -1.763 -7.232 1.00 0.00 O ATOM 976 CB LEU A 61 22.027 -3.425 -7.643 1.00 0.00 C ATOM 977 CG LEU A 61 21.543 -4.786 -8.183 1.00 0.00 C ATOM 978 CD1 LEU A 61 20.494 -4.599 -9.280 1.00 0.00 C ATOM 979 CD2 LEU A 61 22.720 -5.619 -8.694 1.00 0.00 C ATOM 0 H LEU A 61 21.985 -4.616 -5.454 1.00 0.00 H new ATOM 0 HA LEU A 61 21.665 -1.874 -6.207 1.00 0.00 H new ATOM 0 HB2 LEU A 61 21.943 -2.690 -8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 61 23.086 -3.511 -7.399 1.00 0.00 H new ATOM 0 HG LEU A 61 21.076 -5.327 -7.360 1.00 0.00 H new ATOM 0 HD11 LEU A 61 20.170 -5.574 -9.643 1.00 0.00 H new ATOM 0 HD12 LEU A 61 19.638 -4.059 -8.876 1.00 0.00 H new ATOM 0 HD13 LEU A 61 20.926 -4.030 -10.103 1.00 0.00 H new ATOM 0 HD21 LEU A 61 22.354 -6.574 -9.070 1.00 0.00 H new ATOM 0 HD22 LEU A 61 23.224 -5.082 -9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 61 23.422 -5.795 -7.879 1.00 0.00 H new ATOM 991 N LYS A 62 19.017 -3.749 -6.206 1.00 0.00 N ATOM 992 CA LYS A 62 17.558 -3.697 -6.298 1.00 0.00 C ATOM 993 C LYS A 62 17.048 -2.644 -5.316 1.00 0.00 C ATOM 994 O LYS A 62 16.209 -1.805 -5.659 1.00 0.00 O ATOM 995 CB LYS A 62 16.944 -5.078 -5.978 1.00 0.00 C ATOM 996 CG LYS A 62 15.627 -5.389 -6.698 1.00 0.00 C ATOM 997 CD LYS A 62 14.530 -4.366 -6.412 1.00 0.00 C ATOM 998 CE LYS A 62 13.193 -4.782 -7.018 1.00 0.00 C ATOM 999 NZ LYS A 62 13.301 -5.075 -8.474 1.00 0.00 N ATOM 0 H LYS A 62 19.383 -4.599 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 62 17.262 -3.430 -7.313 1.00 0.00 H new ATOM 0 HB2 LYS A 62 17.671 -5.849 -6.234 1.00 0.00 H new ATOM 0 HB3 LYS A 62 16.776 -5.143 -4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 62 15.808 -5.428 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 62 15.280 -6.378 -6.397 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.418 -4.245 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 62 14.824 -3.396 -6.813 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.820 -5.665 -6.498 1.00 0.00 H new ATOM 0 HE3 LYS A 62 12.463 -3.988 -6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.351 -5.221 -8.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 13.758 -4.275 -8.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 13.870 -5.934 -8.614 1.00 0.00 H new ATOM 1013 N ALA A 63 17.586 -2.689 -4.099 1.00 0.00 N ATOM 1014 CA ALA A 63 17.252 -1.716 -3.067 1.00 0.00 C ATOM 1015 C ALA A 63 17.624 -0.307 -3.519 1.00 0.00 C ATOM 1016 O ALA A 63 16.956 0.657 -3.161 1.00 0.00 O ATOM 1017 CB ALA A 63 17.953 -2.063 -1.760 1.00 0.00 C ATOM 0 H ALA A 63 18.260 -3.396 -3.804 1.00 0.00 H new ATOM 0 HA ALA A 63 16.176 -1.748 -2.898 1.00 0.00 H new ATOM 0 HB1 ALA A 63 17.692 -1.326 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.637 -3.052 -1.429 1.00 0.00 H new ATOM 0 HB3 ALA A 63 19.032 -2.059 -1.914 1.00 0.00 H new ATOM 1023 N LYS A 64 18.694 -0.199 -4.310 1.00 0.00 N ATOM 1024 CA LYS A 64 19.097 1.078 -4.904 1.00 0.00 C ATOM 1025 C LYS A 64 17.968 1.639 -5.771 1.00 0.00 C ATOM 1026 O LYS A 64 17.619 2.817 -5.673 1.00 0.00 O ATOM 1027 CB LYS A 64 20.371 0.903 -5.748 1.00 0.00 C ATOM 1028 CG LYS A 64 20.758 2.139 -6.565 1.00 0.00 C ATOM 1029 CD LYS A 64 21.283 3.283 -5.694 1.00 0.00 C ATOM 1030 CE LYS A 64 22.683 2.994 -5.156 1.00 0.00 C ATOM 1031 NZ LYS A 64 23.285 4.187 -4.500 1.00 0.00 N ATOM 0 H LYS A 64 19.299 -0.983 -4.555 1.00 0.00 H new ATOM 0 HA LYS A 64 19.307 1.781 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 64 21.198 0.645 -5.087 1.00 0.00 H new ATOM 0 HB3 LYS A 64 20.231 0.062 -6.427 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.520 1.864 -7.294 1.00 0.00 H new ATOM 0 HG3 LYS A 64 19.890 2.484 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 64 21.301 4.204 -6.277 1.00 0.00 H new ATOM 0 HD3 LYS A 64 20.600 3.447 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 64 22.634 2.173 -4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 64 23.325 2.667 -5.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 24.234 3.948 -4.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 23.356 4.963 -5.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 22.686 4.484 -3.703 1.00 0.00 H new ATOM 1045 N ALA A 65 17.397 0.779 -6.613 1.00 0.00 N ATOM 1046 CA ALA A 65 16.293 1.172 -7.487 1.00 0.00 C ATOM 1047 C ALA A 65 15.089 1.629 -6.661 1.00 0.00 C ATOM 1048 O ALA A 65 14.454 2.642 -6.965 1.00 0.00 O ATOM 1049 CB ALA A 65 15.908 0.018 -8.408 1.00 0.00 C ATOM 0 H ALA A 65 17.681 -0.196 -6.708 1.00 0.00 H new ATOM 0 HA ALA A 65 16.621 2.010 -8.103 1.00 0.00 H new ATOM 0 HB1 ALA A 65 15.085 0.326 -9.053 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.765 -0.259 -9.022 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.599 -0.838 -7.809 1.00 0.00 H new ATOM 1055 N ILE A 66 14.789 0.873 -5.608 1.00 0.00 N ATOM 1056 CA ILE A 66 13.691 1.209 -4.703 1.00 0.00 C ATOM 1057 C ILE A 66 14.028 2.471 -3.904 1.00 0.00 C ATOM 1058 O ILE A 66 13.143 3.242 -3.528 1.00 0.00 O ATOM 1059 CB ILE A 66 13.385 0.038 -3.729 1.00 0.00 C ATOM 1060 CG1 ILE A 66 13.014 -1.229 -4.519 1.00 0.00 C ATOM 1061 CG2 ILE A 66 12.269 0.412 -2.751 1.00 0.00 C ATOM 1062 CD1 ILE A 66 12.719 -2.435 -3.648 1.00 0.00 C ATOM 0 H ILE A 66 15.292 0.021 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 66 12.804 1.392 -5.310 1.00 0.00 H new ATOM 0 HB ILE A 66 14.284 -0.165 -3.146 1.00 0.00 H new ATOM 0 HG12 ILE A 66 12.141 -1.017 -5.136 1.00 0.00 H new ATOM 0 HG13 ILE A 66 13.832 -1.475 -5.197 1.00 0.00 H new ATOM 0 HG21 ILE A 66 12.076 -0.426 -2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 66 12.573 1.281 -2.167 1.00 0.00 H new ATOM 0 HG23 ILE A 66 11.362 0.648 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 66 12.466 -3.287 -4.279 1.00 0.00 H new ATOM 0 HD12 ILE A 66 13.598 -2.675 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 66 11.881 -2.211 -2.988 1.00 0.00 H new ATOM 1074 N TYR A 67 15.318 2.678 -3.669 1.00 0.00 N ATOM 1075 CA TYR A 67 15.799 3.832 -2.922 1.00 0.00 C ATOM 1076 C TYR A 67 15.425 5.122 -3.642 1.00 0.00 C ATOM 1077 O TYR A 67 14.631 5.915 -3.136 1.00 0.00 O ATOM 1078 CB TYR A 67 17.322 3.740 -2.727 1.00 0.00 C ATOM 1079 CG TYR A 67 17.945 4.930 -2.010 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.813 5.088 -0.634 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.672 5.889 -2.710 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.382 6.165 0.020 1.00 0.00 C ATOM 1083 CE2 TYR A 67 19.244 6.969 -2.061 1.00 0.00 C ATOM 1084 CZ TYR A 67 19.096 7.102 -0.696 1.00 0.00 C ATOM 1085 OH TYR A 67 19.666 8.177 -0.044 1.00 0.00 O ATOM 0 H TYR A 67 16.057 2.053 -3.990 1.00 0.00 H new ATOM 0 HA TYR A 67 15.325 3.838 -1.940 1.00 0.00 H new ATOM 0 HB2 TYR A 67 17.548 2.835 -2.164 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.794 3.634 -3.704 1.00 0.00 H new ATOM 0 HD1 TYR A 67 17.256 4.357 -0.067 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.792 5.788 -3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.267 6.272 1.089 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.804 7.704 -2.620 1.00 0.00 H new ATOM 0 HH TYR A 67 20.135 8.742 -0.693 1.00 0.00 H new ATOM 1095 N GLU A 68 15.976 5.296 -4.840 1.00 0.00 N ATOM 1096 CA GLU A 68 15.789 6.521 -5.616 1.00 0.00 C ATOM 1097 C GLU A 68 14.316 6.758 -5.953 1.00 0.00 C ATOM 1098 O GLU A 68 13.846 7.897 -5.953 1.00 0.00 O ATOM 1099 CB GLU A 68 16.620 6.460 -6.906 1.00 0.00 C ATOM 1100 CG GLU A 68 18.123 6.336 -6.667 1.00 0.00 C ATOM 1101 CD GLU A 68 18.919 6.226 -7.958 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.165 7.267 -8.607 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.302 5.097 -8.339 1.00 0.00 O ATOM 0 H GLU A 68 16.561 4.598 -5.299 1.00 0.00 H new ATOM 0 HA GLU A 68 16.129 7.356 -5.004 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.285 5.611 -7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.428 7.358 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.469 7.203 -6.105 1.00 0.00 H new ATOM 0 HG3 GLU A 68 18.317 5.458 -6.050 1.00 0.00 H new ATOM 1110 N LYS A 69 13.591 5.680 -6.232 1.00 0.00 N ATOM 1111 CA LYS A 69 12.210 5.784 -6.696 1.00 0.00 C ATOM 1112 C LYS A 69 11.217 5.945 -5.536 1.00 0.00 C ATOM 1113 O LYS A 69 10.243 6.694 -5.651 1.00 0.00 O ATOM 1114 CB LYS A 69 11.846 4.547 -7.533 1.00 0.00 C ATOM 1115 CG LYS A 69 10.463 4.608 -8.180 1.00 0.00 C ATOM 1116 CD LYS A 69 10.324 5.802 -9.124 1.00 0.00 C ATOM 1117 CE LYS A 69 9.010 5.760 -9.901 1.00 0.00 C ATOM 1118 NZ LYS A 69 8.937 4.585 -10.809 1.00 0.00 N ATOM 0 H LYS A 69 13.936 4.724 -6.145 1.00 0.00 H new ATOM 0 HA LYS A 69 12.138 6.681 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.594 4.419 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.897 3.664 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 69 10.280 3.686 -8.732 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.702 4.670 -7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.378 6.727 -8.550 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.160 5.812 -9.824 1.00 0.00 H new ATOM 0 HE2 LYS A 69 8.175 5.729 -9.200 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.904 6.675 -10.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.188 4.737 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.849 4.464 -11.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.723 3.731 -10.255 1.00 0.00 H new ATOM 1132 N PHE A 70 11.463 5.252 -4.422 1.00 0.00 N ATOM 1133 CA PHE A 70 10.486 5.190 -3.328 1.00 0.00 C ATOM 1134 C PHE A 70 11.043 5.732 -2.008 1.00 0.00 C ATOM 1135 O PHE A 70 10.409 6.565 -1.356 1.00 0.00 O ATOM 1136 CB PHE A 70 10.016 3.743 -3.114 1.00 0.00 C ATOM 1137 CG PHE A 70 9.333 3.129 -4.313 1.00 0.00 C ATOM 1138 CD1 PHE A 70 8.014 3.443 -4.612 1.00 0.00 C ATOM 1139 CD2 PHE A 70 10.005 2.231 -5.129 1.00 0.00 C ATOM 1140 CE1 PHE A 70 7.383 2.874 -5.702 1.00 0.00 C ATOM 1141 CE2 PHE A 70 9.379 1.661 -6.220 1.00 0.00 C ATOM 1142 CZ PHE A 70 8.067 1.982 -6.506 1.00 0.00 C ATOM 0 H PHE A 70 12.322 4.729 -4.252 1.00 0.00 H new ATOM 0 HA PHE A 70 9.649 5.822 -3.624 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.876 3.129 -2.847 1.00 0.00 H new ATOM 0 HB3 PHE A 70 9.330 3.717 -2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.475 4.139 -3.986 1.00 0.00 H new ATOM 0 HD2 PHE A 70 11.031 1.974 -4.908 1.00 0.00 H new ATOM 0 HE1 PHE A 70 6.357 3.126 -5.925 1.00 0.00 H new ATOM 0 HE2 PHE A 70 9.915 0.965 -6.849 1.00 0.00 H new ATOM 0 HZ PHE A 70 7.575 1.536 -7.358 1.00 0.00 H new ATOM 1152 N ILE A 71 12.221 5.259 -1.613 1.00 0.00 N ATOM 1153 CA ILE A 71 12.735 5.526 -0.266 1.00 0.00 C ATOM 1154 C ILE A 71 13.163 6.983 -0.113 1.00 0.00 C ATOM 1155 O ILE A 71 13.061 7.555 0.977 1.00 0.00 O ATOM 1156 CB ILE A 71 13.915 4.588 0.092 1.00 0.00 C ATOM 1157 CG1 ILE A 71 13.490 3.114 -0.059 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.419 4.861 1.512 1.00 0.00 C ATOM 1159 CD1 ILE A 71 12.299 2.725 0.797 1.00 0.00 C ATOM 0 H ILE A 71 12.836 4.693 -2.198 1.00 0.00 H new ATOM 0 HA ILE A 71 11.918 5.329 0.428 1.00 0.00 H new ATOM 0 HB ILE A 71 14.734 4.787 -0.600 1.00 0.00 H new ATOM 0 HG12 ILE A 71 13.252 2.920 -1.105 1.00 0.00 H new ATOM 0 HG13 ILE A 71 14.334 2.475 0.199 1.00 0.00 H new ATOM 0 HG21 ILE A 71 15.247 4.190 1.739 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.758 5.894 1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.610 4.694 2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 71 12.062 1.674 0.634 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.539 2.885 1.848 1.00 0.00 H new ATOM 0 HD13 ILE A 71 11.439 3.337 0.524 1.00 0.00 H new ATOM 1171 N GLN A 72 13.622 7.578 -1.206 1.00 0.00 N ATOM 1172 CA GLN A 72 14.035 8.978 -1.207 1.00 0.00 C ATOM 1173 C GLN A 72 12.896 9.889 -0.772 1.00 0.00 C ATOM 1174 O GLN A 72 11.725 9.610 -1.026 1.00 0.00 O ATOM 1175 CB GLN A 72 14.512 9.402 -2.604 1.00 0.00 C ATOM 1176 CG GLN A 72 15.937 8.985 -2.938 1.00 0.00 C ATOM 1177 CD GLN A 72 16.986 9.779 -2.174 1.00 0.00 C ATOM 1178 OE1 GLN A 72 16.769 10.205 -1.039 1.00 0.00 O ATOM 1179 NE2 GLN A 72 18.129 9.996 -2.805 1.00 0.00 N ATOM 0 H GLN A 72 13.719 7.112 -2.108 1.00 0.00 H new ATOM 0 HA GLN A 72 14.856 9.074 -0.497 1.00 0.00 H new ATOM 0 HB2 GLN A 72 13.839 8.977 -3.348 1.00 0.00 H new ATOM 0 HB3 GLN A 72 14.435 10.486 -2.687 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.060 7.925 -2.717 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.104 9.109 -4.008 1.00 0.00 H new ATOM 0 HE21 GLN A 72 18.271 9.626 -3.745 1.00 0.00 H new ATOM 0 HE22 GLN A 72 18.868 10.533 -2.351 1.00 0.00 H new ATOM 1188 N THR A 73 13.248 10.958 -0.078 1.00 0.00 N ATOM 1189 CA THR A 73 12.307 12.022 0.214 1.00 0.00 C ATOM 1190 C THR A 73 12.143 12.871 -1.042 1.00 0.00 C ATOM 1191 O THR A 73 11.033 13.191 -1.465 1.00 0.00 O ATOM 1192 CB THR A 73 12.814 12.890 1.381 1.00 0.00 C ATOM 1193 OG1 THR A 73 13.146 12.048 2.496 1.00 0.00 O ATOM 1194 CG2 THR A 73 11.773 13.923 1.806 1.00 0.00 C ATOM 0 H THR A 73 14.185 11.111 0.295 1.00 0.00 H new ATOM 0 HA THR A 73 11.348 11.596 0.509 1.00 0.00 H new ATOM 0 HB THR A 73 13.700 13.428 1.043 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.470 12.600 3.238 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.166 14.517 2.631 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.545 14.577 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 73 10.864 13.413 2.126 1.00 0.00 H new ATOM 1202 N ASP A 74 13.280 13.195 -1.649 1.00 0.00 N ATOM 1203 CA ASP A 74 13.323 13.872 -2.939 1.00 0.00 C ATOM 1204 C ASP A 74 13.231 12.838 -4.064 1.00 0.00 C ATOM 1205 O ASP A 74 14.142 12.693 -4.884 1.00 0.00 O ATOM 1206 CB ASP A 74 14.606 14.720 -3.055 1.00 0.00 C ATOM 1207 CG ASP A 74 15.871 13.946 -2.689 1.00 0.00 C ATOM 1208 OD1 ASP A 74 16.062 13.651 -1.487 1.00 0.00 O ATOM 1209 OD2 ASP A 74 16.684 13.647 -3.589 1.00 0.00 O ATOM 0 H ASP A 74 14.201 12.994 -1.258 1.00 0.00 H new ATOM 0 HA ASP A 74 12.472 14.548 -3.025 1.00 0.00 H new ATOM 0 HB2 ASP A 74 14.697 15.092 -4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.519 15.591 -2.405 1.00 0.00 H new ATOM 1214 N ALA A 75 12.123 12.106 -4.079 1.00 0.00 N ATOM 1215 CA ALA A 75 11.892 11.057 -5.069 1.00 0.00 C ATOM 1216 C ALA A 75 11.021 11.586 -6.210 1.00 0.00 C ATOM 1217 O ALA A 75 10.364 12.615 -6.057 1.00 0.00 O ATOM 1218 CB ALA A 75 11.242 9.846 -4.400 1.00 0.00 C ATOM 0 H ALA A 75 11.362 12.221 -3.409 1.00 0.00 H new ATOM 0 HA ALA A 75 12.848 10.747 -5.491 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.072 9.067 -5.143 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.900 9.465 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 75 10.290 10.141 -3.960 1.00 0.00 H new ATOM 1224 N PRO A 76 11.022 10.907 -7.379 1.00 0.00 N ATOM 1225 CA PRO A 76 10.210 11.314 -8.539 1.00 0.00 C ATOM 1226 C PRO A 76 8.746 11.577 -8.174 1.00 0.00 C ATOM 1227 O PRO A 76 8.201 12.643 -8.468 1.00 0.00 O ATOM 1228 CB PRO A 76 10.325 10.112 -9.483 1.00 0.00 C ATOM 1229 CG PRO A 76 11.649 9.511 -9.159 1.00 0.00 C ATOM 1230 CD PRO A 76 11.836 9.707 -7.678 1.00 0.00 C ATOM 0 HA PRO A 76 10.558 12.252 -8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 76 9.515 9.401 -9.321 1.00 0.00 H new ATOM 0 HB3 PRO A 76 10.274 10.421 -10.527 1.00 0.00 H new ATOM 0 HG2 PRO A 76 11.673 8.453 -9.420 1.00 0.00 H new ATOM 0 HG3 PRO A 76 12.447 9.996 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 76 11.494 8.840 -7.113 1.00 0.00 H new ATOM 0 HD3 PRO A 76 12.885 9.860 -7.423 1.00 0.00 H new ATOM 1238 N LYS A 77 8.120 10.597 -7.529 1.00 0.00 N ATOM 1239 CA LYS A 77 6.714 10.704 -7.135 1.00 0.00 C ATOM 1240 C LYS A 77 6.606 10.858 -5.616 1.00 0.00 C ATOM 1241 O LYS A 77 5.621 11.395 -5.106 1.00 0.00 O ATOM 1242 CB LYS A 77 5.945 9.463 -7.637 1.00 0.00 C ATOM 1243 CG LYS A 77 4.414 9.595 -7.623 1.00 0.00 C ATOM 1244 CD LYS A 77 3.805 9.296 -6.252 1.00 0.00 C ATOM 1245 CE LYS A 77 2.289 9.457 -6.256 1.00 0.00 C ATOM 1246 NZ LYS A 77 1.642 8.591 -7.275 1.00 0.00 N ATOM 0 H LYS A 77 8.563 9.717 -7.266 1.00 0.00 H new ATOM 0 HA LYS A 77 6.268 11.589 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 77 6.266 9.243 -8.655 1.00 0.00 H new ATOM 0 HB3 LYS A 77 6.226 8.608 -7.023 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.138 10.605 -7.925 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.989 8.914 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.061 8.279 -5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.239 9.964 -5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 77 1.895 9.213 -5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.035 10.499 -6.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.661 8.394 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.645 9.076 -8.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.166 7.696 -7.353 1.00 0.00 H new ATOM 1260 N GLU A 78 7.647 10.397 -4.911 1.00 0.00 N ATOM 1261 CA GLU A 78 7.716 10.462 -3.446 1.00 0.00 C ATOM 1262 C GLU A 78 6.727 9.495 -2.797 1.00 0.00 C ATOM 1263 O GLU A 78 5.734 9.098 -3.407 1.00 0.00 O ATOM 1264 CB GLU A 78 7.462 11.890 -2.938 1.00 0.00 C ATOM 1265 CG GLU A 78 8.431 12.929 -3.488 1.00 0.00 C ATOM 1266 CD GLU A 78 8.055 14.341 -3.076 1.00 0.00 C ATOM 1267 OE1 GLU A 78 8.426 14.761 -1.962 1.00 0.00 O ATOM 1268 OE2 GLU A 78 7.360 15.029 -3.856 1.00 0.00 O ATOM 0 H GLU A 78 8.466 9.968 -5.341 1.00 0.00 H new ATOM 0 HA GLU A 78 8.726 10.166 -3.161 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.445 12.182 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.523 11.893 -1.850 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.438 12.706 -3.136 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.452 12.863 -4.576 1.00 0.00 H new ATOM 1275 N VAL A 79 7.021 9.110 -1.559 1.00 0.00 N ATOM 1276 CA VAL A 79 6.139 8.241 -0.785 1.00 0.00 C ATOM 1277 C VAL A 79 5.910 8.844 0.600 1.00 0.00 C ATOM 1278 O VAL A 79 6.861 9.256 1.272 1.00 0.00 O ATOM 1279 CB VAL A 79 6.716 6.805 -0.641 1.00 0.00 C ATOM 1280 CG1 VAL A 79 5.747 5.902 0.122 1.00 0.00 C ATOM 1281 CG2 VAL A 79 7.042 6.207 -2.010 1.00 0.00 C ATOM 0 H VAL A 79 7.870 9.388 -1.067 1.00 0.00 H new ATOM 0 HA VAL A 79 5.194 8.166 -1.322 1.00 0.00 H new ATOM 0 HB VAL A 79 7.642 6.873 -0.070 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.173 4.903 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.575 6.312 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.801 5.847 -0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.444 5.202 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.135 6.161 -2.612 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.780 6.832 -2.513 1.00 0.00 H new ATOM 1291 N ASN A 80 4.653 8.881 1.028 1.00 0.00 N ATOM 1292 CA ASN A 80 4.269 9.501 2.301 1.00 0.00 C ATOM 1293 C ASN A 80 4.554 8.580 3.494 1.00 0.00 C ATOM 1294 O ASN A 80 3.990 8.759 4.576 1.00 0.00 O ATOM 1295 CB ASN A 80 2.781 9.893 2.268 1.00 0.00 C ATOM 1296 CG ASN A 80 2.507 11.093 1.370 1.00 0.00 C ATOM 1297 OD1 ASN A 80 2.513 12.238 1.825 1.00 0.00 O ATOM 1298 ND2 ASN A 80 2.274 10.844 0.090 1.00 0.00 N ATOM 0 H ASN A 80 3.870 8.485 0.508 1.00 0.00 H new ATOM 0 HA ASN A 80 4.875 10.398 2.431 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.194 9.043 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.447 10.119 3.281 1.00 0.00 H new ATOM 0 HD21 ASN A 80 2.092 11.613 -0.554 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.277 9.883 -0.251 1.00 0.00 H new ATOM 1305 N LEU A 81 5.444 7.613 3.291 1.00 0.00 N ATOM 1306 CA LEU A 81 5.873 6.697 4.349 1.00 0.00 C ATOM 1307 C LEU A 81 6.579 7.457 5.477 1.00 0.00 C ATOM 1308 O LEU A 81 7.236 8.473 5.235 1.00 0.00 O ATOM 1309 CB LEU A 81 6.797 5.617 3.748 1.00 0.00 C ATOM 1310 CG LEU A 81 7.685 4.841 4.739 1.00 0.00 C ATOM 1311 CD1 LEU A 81 6.852 3.900 5.598 1.00 0.00 C ATOM 1312 CD2 LEU A 81 8.777 4.071 3.998 1.00 0.00 C ATOM 0 H LEU A 81 5.889 7.440 2.390 1.00 0.00 H new ATOM 0 HA LEU A 81 4.996 6.214 4.780 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.177 4.899 3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.444 6.093 3.011 1.00 0.00 H new ATOM 0 HG LEU A 81 8.164 5.565 5.399 1.00 0.00 H new ATOM 0 HD11 LEU A 81 7.504 3.365 6.289 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.119 4.476 6.163 1.00 0.00 H new ATOM 0 HD13 LEU A 81 6.336 3.184 4.958 1.00 0.00 H new ATOM 0 HD21 LEU A 81 9.393 3.530 4.717 1.00 0.00 H new ATOM 0 HD22 LEU A 81 8.318 3.363 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.400 4.770 3.440 1.00 0.00 H new ATOM 1324 N ASP A 82 6.418 6.955 6.704 1.00 0.00 N ATOM 1325 CA ASP A 82 7.045 7.537 7.894 1.00 0.00 C ATOM 1326 C ASP A 82 8.525 7.849 7.663 1.00 0.00 C ATOM 1327 O ASP A 82 9.304 6.976 7.260 1.00 0.00 O ATOM 1328 CB ASP A 82 6.888 6.583 9.089 1.00 0.00 C ATOM 1329 CG ASP A 82 7.791 6.933 10.268 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.814 8.108 10.686 1.00 0.00 O ATOM 1331 OD2 ASP A 82 8.476 6.024 10.787 1.00 0.00 O ATOM 0 H ASP A 82 5.848 6.132 6.901 1.00 0.00 H new ATOM 0 HA ASP A 82 6.539 8.478 8.109 1.00 0.00 H new ATOM 0 HB2 ASP A 82 5.850 6.596 9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.106 5.566 8.763 1.00 0.00 H new ATOM 1336 N PHE A 83 8.895 9.098 7.933 1.00 0.00 N ATOM 1337 CA PHE A 83 10.258 9.574 7.736 1.00 0.00 C ATOM 1338 C PHE A 83 11.255 8.731 8.523 1.00 0.00 C ATOM 1339 O PHE A 83 12.337 8.427 8.028 1.00 0.00 O ATOM 1340 CB PHE A 83 10.374 11.048 8.151 1.00 0.00 C ATOM 1341 CG PHE A 83 11.755 11.630 7.949 1.00 0.00 C ATOM 1342 CD1 PHE A 83 12.174 12.043 6.689 1.00 0.00 C ATOM 1343 CD2 PHE A 83 12.637 11.761 9.017 1.00 0.00 C ATOM 1344 CE1 PHE A 83 13.438 12.570 6.500 1.00 0.00 C ATOM 1345 CE2 PHE A 83 13.901 12.287 8.831 1.00 0.00 C ATOM 1346 CZ PHE A 83 14.303 12.693 7.572 1.00 0.00 C ATOM 0 H PHE A 83 8.257 9.807 8.294 1.00 0.00 H new ATOM 0 HA PHE A 83 10.495 9.482 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 83 9.655 11.635 7.579 1.00 0.00 H new ATOM 0 HB3 PHE A 83 10.099 11.143 9.202 1.00 0.00 H new ATOM 0 HD1 PHE A 83 11.503 11.951 5.847 1.00 0.00 H new ATOM 0 HD2 PHE A 83 12.330 11.448 10.004 1.00 0.00 H new ATOM 0 HE1 PHE A 83 13.750 12.886 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 83 14.575 12.381 9.669 1.00 0.00 H new ATOM 0 HZ PHE A 83 15.290 13.105 7.426 1.00 0.00 H new ATOM 1356 N HIS A 84 10.887 8.345 9.742 1.00 0.00 N ATOM 1357 CA HIS A 84 11.785 7.566 10.592 1.00 0.00 C ATOM 1358 C HIS A 84 12.035 6.182 9.994 1.00 0.00 C ATOM 1359 O HIS A 84 13.101 5.596 10.188 1.00 0.00 O ATOM 1360 CB HIS A 84 11.226 7.449 12.014 1.00 0.00 C ATOM 1361 CG HIS A 84 12.059 6.586 12.916 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.324 6.934 13.343 1.00 0.00 N ATOM 1363 CD2 HIS A 84 11.801 5.374 13.461 1.00 0.00 C ATOM 1364 CE1 HIS A 84 13.805 5.973 14.109 1.00 0.00 C ATOM 1365 NE2 HIS A 84 12.902 5.017 14.197 1.00 0.00 N ATOM 0 H HIS A 84 9.981 8.556 10.161 1.00 0.00 H new ATOM 0 HA HIS A 84 12.739 8.091 10.645 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.148 8.446 12.448 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.216 7.042 11.966 1.00 0.00 H new ATOM 0 HD1 HIS A 84 13.811 7.798 13.104 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.897 4.796 13.339 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.775 5.970 14.584 1.00 0.00 H new ATOM 1374 N THR A 85 11.055 5.663 9.261 1.00 0.00 N ATOM 1375 CA THR A 85 11.223 4.394 8.563 1.00 0.00 C ATOM 1376 C THR A 85 12.178 4.577 7.382 1.00 0.00 C ATOM 1377 O THR A 85 13.109 3.791 7.193 1.00 0.00 O ATOM 1378 CB THR A 85 9.870 3.839 8.067 1.00 0.00 C ATOM 1379 OG1 THR A 85 8.962 3.724 9.170 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.042 2.475 7.407 1.00 0.00 C ATOM 0 H THR A 85 10.141 6.099 9.135 1.00 0.00 H new ATOM 0 HA THR A 85 11.642 3.673 9.265 1.00 0.00 H new ATOM 0 HB THR A 85 9.470 4.532 7.326 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.847 4.601 9.592 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.072 2.110 7.068 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.714 2.566 6.554 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.463 1.773 8.127 1.00 0.00 H new ATOM 1388 N LYS A 86 11.947 5.641 6.606 1.00 0.00 N ATOM 1389 CA LYS A 86 12.835 6.008 5.499 1.00 0.00 C ATOM 1390 C LYS A 86 14.261 6.186 6.023 1.00 0.00 C ATOM 1391 O LYS A 86 15.226 5.738 5.408 1.00 0.00 O ATOM 1392 CB LYS A 86 12.350 7.316 4.844 1.00 0.00 C ATOM 1393 CG LYS A 86 10.940 7.236 4.251 1.00 0.00 C ATOM 1394 CD LYS A 86 10.347 8.624 3.985 1.00 0.00 C ATOM 1395 CE LYS A 86 11.123 9.410 2.930 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.921 8.864 1.559 1.00 0.00 N ATOM 0 H LYS A 86 11.149 6.265 6.725 1.00 0.00 H new ATOM 0 HA LYS A 86 12.822 5.214 4.752 1.00 0.00 H new ATOM 0 HB2 LYS A 86 12.375 8.112 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.049 7.595 4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 86 10.970 6.671 3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 86 10.290 6.689 4.934 1.00 0.00 H new ATOM 0 HD2 LYS A 86 9.312 8.515 3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 86 10.332 9.192 4.915 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.809 10.454 2.953 1.00 0.00 H new ATOM 0 HE3 LYS A 86 12.185 9.391 3.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 10.935 9.643 0.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.683 8.192 1.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.004 8.376 1.511 1.00 0.00 H new ATOM 1410 N GLU A 87 14.354 6.821 7.186 1.00 0.00 N ATOM 1411 CA GLU A 87 15.621 7.096 7.860 1.00 0.00 C ATOM 1412 C GLU A 87 16.448 5.818 8.022 1.00 0.00 C ATOM 1413 O GLU A 87 17.563 5.714 7.502 1.00 0.00 O ATOM 1414 CB GLU A 87 15.321 7.718 9.229 1.00 0.00 C ATOM 1415 CG GLU A 87 16.544 8.009 10.087 1.00 0.00 C ATOM 1416 CD GLU A 87 16.157 8.456 11.487 1.00 0.00 C ATOM 1417 OE1 GLU A 87 15.967 9.670 11.702 1.00 0.00 O ATOM 1418 OE2 GLU A 87 16.017 7.590 12.378 1.00 0.00 O ATOM 0 H GLU A 87 13.540 7.165 7.696 1.00 0.00 H new ATOM 0 HA GLU A 87 16.207 7.789 7.257 1.00 0.00 H new ATOM 0 HB2 GLU A 87 14.774 8.648 9.076 1.00 0.00 H new ATOM 0 HB3 GLU A 87 14.662 7.047 9.779 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.165 7.116 10.149 1.00 0.00 H new ATOM 0 HG3 GLU A 87 17.146 8.783 9.611 1.00 0.00 H new ATOM 1425 N VAL A 88 15.880 4.841 8.724 1.00 0.00 N ATOM 1426 CA VAL A 88 16.569 3.580 8.994 1.00 0.00 C ATOM 1427 C VAL A 88 17.007 2.907 7.691 1.00 0.00 C ATOM 1428 O VAL A 88 18.117 2.377 7.592 1.00 0.00 O ATOM 1429 CB VAL A 88 15.669 2.609 9.805 1.00 0.00 C ATOM 1430 CG1 VAL A 88 16.395 1.292 10.088 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.206 3.264 11.108 1.00 0.00 C ATOM 0 H VAL A 88 14.941 4.898 9.118 1.00 0.00 H new ATOM 0 HA VAL A 88 17.453 3.814 9.588 1.00 0.00 H new ATOM 0 HB VAL A 88 14.789 2.383 9.203 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.741 0.631 10.657 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.662 0.814 9.146 1.00 0.00 H new ATOM 0 HG13 VAL A 88 17.299 1.491 10.663 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.577 2.567 11.662 1.00 0.00 H new ATOM 0 HG22 VAL A 88 16.075 3.527 11.712 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.637 4.165 10.880 1.00 0.00 H new ATOM 1441 N ILE A 89 16.135 2.956 6.687 1.00 0.00 N ATOM 1442 CA ILE A 89 16.406 2.320 5.401 1.00 0.00 C ATOM 1443 C ILE A 89 17.563 3.012 4.674 1.00 0.00 C ATOM 1444 O ILE A 89 18.491 2.349 4.203 1.00 0.00 O ATOM 1445 CB ILE A 89 15.150 2.318 4.491 1.00 0.00 C ATOM 1446 CG1 ILE A 89 13.992 1.570 5.178 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.465 1.692 3.130 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.687 1.605 4.407 1.00 0.00 C ATOM 0 H ILE A 89 15.234 3.430 6.740 1.00 0.00 H new ATOM 0 HA ILE A 89 16.686 1.288 5.611 1.00 0.00 H new ATOM 0 HB ILE A 89 14.845 3.351 4.325 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.284 0.531 5.329 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.830 2.002 6.165 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.569 1.702 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.253 2.264 2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.798 0.664 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.924 1.056 4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.368 2.639 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.830 1.145 3.429 1.00 0.00 H new ATOM 1460 N THR A 90 17.520 4.343 4.609 1.00 0.00 N ATOM 1461 CA THR A 90 18.530 5.109 3.880 1.00 0.00 C ATOM 1462 C THR A 90 19.927 4.860 4.449 1.00 0.00 C ATOM 1463 O THR A 90 20.920 4.886 3.722 1.00 0.00 O ATOM 1464 CB THR A 90 18.234 6.632 3.896 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.218 7.127 5.241 1.00 0.00 O ATOM 1466 CG2 THR A 90 16.901 6.951 3.223 1.00 0.00 C ATOM 0 H THR A 90 16.798 4.912 5.051 1.00 0.00 H new ATOM 0 HA THR A 90 18.492 4.763 2.847 1.00 0.00 H new ATOM 0 HB THR A 90 19.030 7.123 3.336 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.946 6.409 5.850 1.00 0.00 H new ATOM 0 HG21 THR A 90 16.727 8.027 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 90 16.928 6.616 2.186 1.00 0.00 H new ATOM 0 HG23 THR A 90 16.096 6.438 3.749 1.00 0.00 H new ATOM 1474 N ASN A 91 19.994 4.601 5.749 1.00 0.00 N ATOM 1475 CA ASN A 91 21.266 4.349 6.422 1.00 0.00 C ATOM 1476 C ASN A 91 21.669 2.879 6.299 1.00 0.00 C ATOM 1477 O ASN A 91 22.854 2.545 6.358 1.00 0.00 O ATOM 1478 CB ASN A 91 21.169 4.768 7.896 1.00 0.00 C ATOM 1479 CG ASN A 91 20.968 6.269 8.053 1.00 0.00 C ATOM 1480 OD1 ASN A 91 21.505 7.067 7.283 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.188 6.667 9.044 1.00 0.00 N ATOM 0 H ASN A 91 19.180 4.559 6.362 1.00 0.00 H new ATOM 0 HA ASN A 91 22.040 4.945 5.938 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.340 4.240 8.369 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.077 4.468 8.418 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.015 7.662 9.189 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.759 5.979 9.663 1.00 0.00 H new ATOM 1488 N SER A 92 20.684 2.008 6.102 1.00 0.00 N ATOM 1489 CA SER A 92 20.933 0.573 5.975 1.00 0.00 C ATOM 1490 C SER A 92 21.003 0.161 4.500 1.00 0.00 C ATOM 1491 O SER A 92 21.186 -1.015 4.190 1.00 0.00 O ATOM 1492 CB SER A 92 19.832 -0.221 6.702 1.00 0.00 C ATOM 1493 OG SER A 92 20.089 -1.618 6.687 1.00 0.00 O ATOM 0 H SER A 92 19.701 2.271 6.026 1.00 0.00 H new ATOM 0 HA SER A 92 21.894 0.347 6.437 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.757 0.123 7.733 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.870 -0.024 6.229 1.00 0.00 H new ATOM 0 HG SER A 92 20.574 -1.853 5.868 1.00 0.00 H new ATOM 1499 N ILE A 93 20.877 1.142 3.602 1.00 0.00 N ATOM 1500 CA ILE A 93 20.863 0.888 2.155 1.00 0.00 C ATOM 1501 C ILE A 93 22.084 0.072 1.707 1.00 0.00 C ATOM 1502 O ILE A 93 22.010 -0.694 0.745 1.00 0.00 O ATOM 1503 CB ILE A 93 20.803 2.218 1.351 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.576 1.948 -0.150 1.00 0.00 C ATOM 1505 CG2 ILE A 93 22.074 3.042 1.564 1.00 0.00 C ATOM 1506 CD1 ILE A 93 19.269 1.244 -0.459 1.00 0.00 C ATOM 0 H ILE A 93 20.783 2.126 3.852 1.00 0.00 H new ATOM 0 HA ILE A 93 19.965 0.306 1.948 1.00 0.00 H new ATOM 0 HB ILE A 93 19.956 2.794 1.723 1.00 0.00 H new ATOM 0 HG12 ILE A 93 20.602 2.896 -0.687 1.00 0.00 H new ATOM 0 HG13 ILE A 93 21.401 1.344 -0.529 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.008 3.967 0.991 1.00 0.00 H new ATOM 0 HG22 ILE A 93 22.182 3.277 2.623 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.939 2.469 1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 93 19.184 1.090 -1.535 1.00 0.00 H new ATOM 0 HD12 ILE A 93 19.247 0.279 0.048 1.00 0.00 H new ATOM 0 HD13 ILE A 93 18.436 1.855 -0.113 1.00 0.00 H new ATOM 1518 N THR A 94 23.196 0.236 2.419 1.00 0.00 N ATOM 1519 CA THR A 94 24.429 -0.478 2.100 1.00 0.00 C ATOM 1520 C THR A 94 24.233 -1.994 2.225 1.00 0.00 C ATOM 1521 O THR A 94 24.741 -2.769 1.408 1.00 0.00 O ATOM 1522 CB THR A 94 25.596 -0.012 3.009 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.798 -0.722 2.685 1.00 0.00 O ATOM 1524 CG2 THR A 94 25.270 -0.212 4.489 1.00 0.00 C ATOM 0 H THR A 94 23.268 0.859 3.223 1.00 0.00 H new ATOM 0 HA THR A 94 24.685 -0.246 1.066 1.00 0.00 H new ATOM 0 HB THR A 94 25.742 1.053 2.830 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.525 -0.416 3.266 1.00 0.00 H new ATOM 0 HG21 THR A 94 26.110 0.126 5.096 1.00 0.00 H new ATOM 0 HG22 THR A 94 24.382 0.364 4.747 1.00 0.00 H new ATOM 0 HG23 THR A 94 25.085 -1.269 4.681 1.00 0.00 H new ATOM 1532 N GLN A 95 23.467 -2.409 3.236 1.00 0.00 N ATOM 1533 CA GLN A 95 23.196 -3.826 3.486 1.00 0.00 C ATOM 1534 C GLN A 95 21.750 -4.022 3.946 1.00 0.00 C ATOM 1535 O GLN A 95 21.475 -4.102 5.146 1.00 0.00 O ATOM 1536 CB GLN A 95 24.164 -4.397 4.537 1.00 0.00 C ATOM 1537 CG GLN A 95 25.620 -4.444 4.084 1.00 0.00 C ATOM 1538 CD GLN A 95 26.551 -4.986 5.154 1.00 0.00 C ATOM 1539 OE1 GLN A 95 26.153 -5.800 5.989 1.00 0.00 O ATOM 1540 NE2 GLN A 95 27.794 -4.534 5.142 1.00 0.00 N ATOM 0 H GLN A 95 23.020 -1.777 3.900 1.00 0.00 H new ATOM 0 HA GLN A 95 23.347 -4.365 2.551 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.096 -3.795 5.443 1.00 0.00 H new ATOM 0 HB3 GLN A 95 23.844 -5.405 4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.698 -5.065 3.192 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.941 -3.441 3.803 1.00 0.00 H new ATOM 0 HE21 GLN A 95 28.085 -3.860 4.434 1.00 0.00 H new ATOM 0 HE22 GLN A 95 28.462 -4.859 5.841 1.00 0.00 H new ATOM 1549 N PRO A 96 20.800 -4.050 2.997 1.00 0.00 N ATOM 1550 CA PRO A 96 19.394 -4.303 3.297 1.00 0.00 C ATOM 1551 C PRO A 96 19.081 -5.802 3.322 1.00 0.00 C ATOM 1552 O PRO A 96 19.647 -6.573 2.546 1.00 0.00 O ATOM 1553 CB PRO A 96 18.679 -3.603 2.139 1.00 0.00 C ATOM 1554 CG PRO A 96 19.615 -3.740 0.979 1.00 0.00 C ATOM 1555 CD PRO A 96 21.014 -3.818 1.553 1.00 0.00 C ATOM 0 HA PRO A 96 19.091 -3.941 4.280 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.716 -4.068 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.483 -2.556 2.369 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.384 -4.634 0.400 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.521 -2.890 0.304 1.00 0.00 H new ATOM 0 HD2 PRO A 96 21.586 -4.628 1.100 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.569 -2.897 1.375 1.00 0.00 H new ATOM 1563 N THR A 97 18.201 -6.209 4.229 1.00 0.00 N ATOM 1564 CA THR A 97 17.779 -7.599 4.321 1.00 0.00 C ATOM 1565 C THR A 97 16.728 -7.930 3.253 1.00 0.00 C ATOM 1566 O THR A 97 16.216 -7.030 2.572 1.00 0.00 O ATOM 1567 CB THR A 97 17.225 -7.909 5.731 1.00 0.00 C ATOM 1568 OG1 THR A 97 16.208 -6.959 6.077 1.00 0.00 O ATOM 1569 CG2 THR A 97 18.334 -7.873 6.779 1.00 0.00 C ATOM 0 H THR A 97 17.765 -5.592 4.914 1.00 0.00 H new ATOM 0 HA THR A 97 18.654 -8.225 4.144 1.00 0.00 H new ATOM 0 HB THR A 97 16.800 -8.912 5.713 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.861 -7.163 6.970 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.915 -8.095 7.760 1.00 0.00 H new ATOM 0 HG22 THR A 97 19.092 -8.616 6.532 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.788 -6.882 6.794 1.00 0.00 H new ATOM 1577 N LEU A 98 16.401 -9.219 3.134 1.00 0.00 N ATOM 1578 CA LEU A 98 15.499 -9.724 2.090 1.00 0.00 C ATOM 1579 C LEU A 98 14.132 -9.038 2.146 1.00 0.00 C ATOM 1580 O LEU A 98 13.458 -8.879 1.128 1.00 0.00 O ATOM 1581 CB LEU A 98 15.328 -11.243 2.245 1.00 0.00 C ATOM 1582 CG LEU A 98 14.551 -11.947 1.119 1.00 0.00 C ATOM 1583 CD1 LEU A 98 15.302 -11.837 -0.207 1.00 0.00 C ATOM 1584 CD2 LEU A 98 14.295 -13.409 1.477 1.00 0.00 C ATOM 0 H LEU A 98 16.753 -9.945 3.758 1.00 0.00 H new ATOM 0 HA LEU A 98 15.945 -9.499 1.121 1.00 0.00 H new ATOM 0 HB2 LEU A 98 16.317 -11.696 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 98 14.819 -11.438 3.189 1.00 0.00 H new ATOM 0 HG LEU A 98 13.588 -11.450 1.005 1.00 0.00 H new ATOM 0 HD11 LEU A 98 14.735 -12.342 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 98 15.426 -10.786 -0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.282 -12.305 -0.110 1.00 0.00 H new ATOM 0 HD21 LEU A 98 13.744 -13.890 0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 98 15.247 -13.920 1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 98 13.711 -13.462 2.396 1.00 0.00 H new ATOM 1596 N HIS A 99 13.724 -8.644 3.345 1.00 0.00 N ATOM 1597 CA HIS A 99 12.463 -7.938 3.541 1.00 0.00 C ATOM 1598 C HIS A 99 12.702 -6.725 4.431 1.00 0.00 C ATOM 1599 O HIS A 99 11.925 -6.435 5.334 1.00 0.00 O ATOM 1600 CB HIS A 99 11.405 -8.880 4.156 1.00 0.00 C ATOM 1601 CG HIS A 99 10.132 -8.953 3.362 1.00 0.00 C ATOM 1602 ND1 HIS A 99 8.899 -8.586 3.863 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.910 -9.366 2.092 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.978 -8.770 2.934 1.00 0.00 C ATOM 1605 NE2 HIS A 99 8.562 -9.243 1.849 1.00 0.00 N ATOM 0 H HIS A 99 14.252 -8.803 4.203 1.00 0.00 H new ATOM 0 HA HIS A 99 12.081 -7.600 2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.828 -9.881 4.242 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.174 -8.543 5.167 1.00 0.00 H new ATOM 0 HD1 HIS A 99 8.726 -8.229 4.803 1.00 0.00 H new ATOM 0 HD2 HIS A 99 10.655 -9.726 1.397 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.923 -8.567 3.044 1.00 0.00 H new ATOM 0 HE2 HIS A 99 8.092 -9.478 0.975 1.00 0.00 H new ATOM 1614 N SER A 100 13.789 -6.015 4.148 1.00 0.00 N ATOM 1615 CA SER A 100 14.187 -4.836 4.916 1.00 0.00 C ATOM 1616 C SER A 100 13.053 -3.812 5.028 1.00 0.00 C ATOM 1617 O SER A 100 12.911 -3.132 6.045 1.00 0.00 O ATOM 1618 CB SER A 100 15.415 -4.203 4.255 1.00 0.00 C ATOM 1619 OG SER A 100 15.253 -4.140 2.845 1.00 0.00 O ATOM 0 H SER A 100 14.421 -6.239 3.379 1.00 0.00 H new ATOM 0 HA SER A 100 14.429 -5.152 5.931 1.00 0.00 H new ATOM 0 HB2 SER A 100 15.571 -3.200 4.653 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.304 -4.784 4.498 1.00 0.00 H new ATOM 0 HG SER A 100 15.613 -4.955 2.438 1.00 0.00 H new ATOM 1625 N PHE A 101 12.236 -3.727 3.983 1.00 0.00 N ATOM 1626 CA PHE A 101 11.153 -2.747 3.923 1.00 0.00 C ATOM 1627 C PHE A 101 9.907 -3.250 4.664 1.00 0.00 C ATOM 1628 O PHE A 101 8.847 -2.627 4.593 1.00 0.00 O ATOM 1629 CB PHE A 101 10.808 -2.447 2.456 1.00 0.00 C ATOM 1630 CG PHE A 101 12.012 -2.138 1.598 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.606 -0.886 1.632 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.551 -3.107 0.760 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.710 -0.605 0.849 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.655 -2.829 -0.023 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.235 -1.576 0.021 1.00 0.00 C ATOM 0 H PHE A 101 12.303 -4.328 3.161 1.00 0.00 H new ATOM 0 HA PHE A 101 11.489 -1.833 4.413 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.283 -3.303 2.034 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.121 -1.602 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.201 -0.121 2.278 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.102 -4.088 0.720 1.00 0.00 H new ATOM 0 HE1 PHE A 101 14.162 0.375 0.885 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.064 -3.591 -0.669 1.00 0.00 H new ATOM 0 HZ PHE A 101 15.097 -1.357 -0.591 1.00 0.00 H new ATOM 1645 N ASP A 102 10.046 -4.361 5.391 1.00 0.00 N ATOM 1646 CA ASP A 102 8.917 -4.993 6.086 1.00 0.00 C ATOM 1647 C ASP A 102 8.247 -4.011 7.046 1.00 0.00 C ATOM 1648 O ASP A 102 7.019 -3.901 7.088 1.00 0.00 O ATOM 1649 CB ASP A 102 9.394 -6.233 6.853 1.00 0.00 C ATOM 1650 CG ASP A 102 8.249 -7.082 7.379 1.00 0.00 C ATOM 1651 OD1 ASP A 102 7.691 -7.883 6.594 1.00 0.00 O ATOM 1652 OD2 ASP A 102 7.926 -6.986 8.586 1.00 0.00 O ATOM 0 H ASP A 102 10.935 -4.846 5.515 1.00 0.00 H new ATOM 0 HA ASP A 102 8.184 -5.295 5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.019 -6.841 6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.020 -5.918 7.688 1.00 0.00 H new ATOM 1657 N ALA A 103 9.068 -3.284 7.802 1.00 0.00 N ATOM 1658 CA ALA A 103 8.569 -2.276 8.735 1.00 0.00 C ATOM 1659 C ALA A 103 7.799 -1.189 7.989 1.00 0.00 C ATOM 1660 O ALA A 103 6.829 -0.624 8.504 1.00 0.00 O ATOM 1661 CB ALA A 103 9.725 -1.672 9.527 1.00 0.00 C ATOM 0 H ALA A 103 10.084 -3.375 7.786 1.00 0.00 H new ATOM 0 HA ALA A 103 7.885 -2.757 9.434 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.340 -0.923 10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.231 -2.457 10.088 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.431 -1.204 8.841 1.00 0.00 H new ATOM 1667 N ALA A 104 8.222 -0.923 6.756 1.00 0.00 N ATOM 1668 CA ALA A 104 7.583 0.086 5.924 1.00 0.00 C ATOM 1669 C ALA A 104 6.164 -0.340 5.563 1.00 0.00 C ATOM 1670 O ALA A 104 5.258 0.491 5.510 1.00 0.00 O ATOM 1671 CB ALA A 104 8.409 0.352 4.672 1.00 0.00 C ATOM 0 H ALA A 104 9.009 -1.396 6.312 1.00 0.00 H new ATOM 0 HA ALA A 104 7.524 1.015 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.914 1.109 4.064 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.399 0.707 4.958 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.505 -0.569 4.097 1.00 0.00 H new ATOM 1677 N GLN A 105 5.971 -1.643 5.329 1.00 0.00 N ATOM 1678 CA GLN A 105 4.637 -2.184 5.054 1.00 0.00 C ATOM 1679 C GLN A 105 3.670 -1.800 6.170 1.00 0.00 C ATOM 1680 O GLN A 105 2.530 -1.416 5.912 1.00 0.00 O ATOM 1681 CB GLN A 105 4.661 -3.719 4.897 1.00 0.00 C ATOM 1682 CG GLN A 105 5.055 -4.207 3.505 1.00 0.00 C ATOM 1683 CD GLN A 105 6.509 -3.950 3.163 1.00 0.00 C ATOM 1684 OE1 GLN A 105 7.367 -4.799 3.393 1.00 0.00 O ATOM 1685 NE2 GLN A 105 6.800 -2.777 2.620 1.00 0.00 N ATOM 0 H GLN A 105 6.717 -2.338 5.325 1.00 0.00 H new ATOM 0 HA GLN A 105 4.300 -1.753 4.111 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.358 -4.135 5.625 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.674 -4.112 5.140 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.857 -5.277 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.424 -3.716 2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.059 -2.098 2.445 1.00 0.00 H new ATOM 0 HE22 GLN A 105 7.765 -2.553 2.377 1.00 0.00 H new ATOM 1694 N SER A 106 4.150 -1.885 7.408 1.00 0.00 N ATOM 1695 CA SER A 106 3.336 -1.565 8.575 1.00 0.00 C ATOM 1696 C SER A 106 2.901 -0.098 8.542 1.00 0.00 C ATOM 1697 O SER A 106 1.708 0.206 8.618 1.00 0.00 O ATOM 1698 CB SER A 106 4.123 -1.860 9.855 1.00 0.00 C ATOM 1699 OG SER A 106 4.527 -3.222 9.906 1.00 0.00 O ATOM 0 H SER A 106 5.103 -2.174 7.628 1.00 0.00 H new ATOM 0 HA SER A 106 2.440 -2.186 8.559 1.00 0.00 H new ATOM 0 HB2 SER A 106 5.001 -1.215 9.902 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.509 -1.627 10.725 1.00 0.00 H new ATOM 0 HG SER A 106 5.029 -3.384 10.732 1.00 0.00 H new ATOM 1705 N ARG A 107 3.877 0.800 8.398 1.00 0.00 N ATOM 1706 CA ARG A 107 3.616 2.241 8.356 1.00 0.00 C ATOM 1707 C ARG A 107 2.645 2.595 7.231 1.00 0.00 C ATOM 1708 O ARG A 107 1.662 3.306 7.443 1.00 0.00 O ATOM 1709 CB ARG A 107 4.927 3.015 8.168 1.00 0.00 C ATOM 1710 CG ARG A 107 5.874 2.968 9.365 1.00 0.00 C ATOM 1711 CD ARG A 107 5.265 3.620 10.602 1.00 0.00 C ATOM 1712 NE ARG A 107 6.279 3.928 11.618 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.315 3.390 12.839 1.00 0.00 C ATOM 1714 NH1 ARG A 107 5.445 2.450 13.187 1.00 0.00 N ATOM 1715 NH2 ARG A 107 7.231 3.789 13.712 1.00 0.00 N ATOM 0 H ARG A 107 4.862 0.553 8.308 1.00 0.00 H new ATOM 0 HA ARG A 107 3.162 2.524 9.306 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.446 2.617 7.296 1.00 0.00 H new ATOM 0 HB3 ARG A 107 4.690 4.056 7.950 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.125 1.931 9.588 1.00 0.00 H new ATOM 0 HG3 ARG A 107 6.805 3.474 9.110 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.752 4.537 10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 107 4.514 2.956 11.029 1.00 0.00 H new ATOM 0 HE ARG A 107 7.007 4.600 11.374 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.742 2.133 12.519 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.480 2.044 14.122 1.00 0.00 H new ATOM 0 HH21 ARG A 107 7.907 4.506 13.450 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.259 3.378 14.645 1.00 0.00 H new ATOM 1729 N VAL A 108 2.930 2.080 6.042 1.00 0.00 N ATOM 1730 CA VAL A 108 2.153 2.389 4.847 1.00 0.00 C ATOM 1731 C VAL A 108 0.710 1.884 4.958 1.00 0.00 C ATOM 1732 O VAL A 108 -0.243 2.643 4.762 1.00 0.00 O ATOM 1733 CB VAL A 108 2.828 1.773 3.594 1.00 0.00 C ATOM 1734 CG1 VAL A 108 1.939 1.908 2.367 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.188 2.424 3.343 1.00 0.00 C ATOM 0 H VAL A 108 3.705 1.437 5.878 1.00 0.00 H new ATOM 0 HA VAL A 108 2.122 3.474 4.750 1.00 0.00 H new ATOM 0 HB VAL A 108 2.979 0.710 3.784 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.439 1.467 1.505 1.00 0.00 H new ATOM 0 HG12 VAL A 108 0.996 1.391 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 108 1.744 2.963 2.173 1.00 0.00 H new ATOM 0 HG21 VAL A 108 4.647 1.979 2.460 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.055 3.494 3.183 1.00 0.00 H new ATOM 0 HG23 VAL A 108 4.833 2.264 4.207 1.00 0.00 H new ATOM 1745 N TYR A 109 0.564 0.603 5.280 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.747 -0.045 5.358 1.00 0.00 C ATOM 1747 C TYR A 109 -1.679 0.689 6.331 1.00 0.00 C ATOM 1748 O TYR A 109 -2.791 1.081 5.963 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.561 -1.522 5.762 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.789 -2.189 6.368 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -2.032 -2.128 7.739 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -2.699 -2.880 5.575 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -3.143 -2.729 8.297 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -3.813 -3.485 6.129 1.00 0.00 C ATOM 1755 CZ TYR A 109 -4.030 -3.405 7.490 1.00 0.00 C ATOM 1756 OH TYR A 109 -5.140 -4.000 8.048 1.00 0.00 O ATOM 0 H TYR A 109 1.346 -0.016 5.494 1.00 0.00 H new ATOM 0 HA TYR A 109 -1.222 -0.002 4.378 1.00 0.00 H new ATOM 0 HB2 TYR A 109 -0.258 -2.088 4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.258 -1.586 6.479 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.338 -1.601 8.377 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -2.533 -2.945 4.510 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.315 -2.669 9.361 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -4.510 -4.018 5.499 1.00 0.00 H new ATOM 0 HH TYR A 109 -5.753 -3.308 8.374 1.00 0.00 H new ATOM 1766 N GLN A 110 -1.214 0.888 7.563 1.00 0.00 N ATOM 1767 CA GLN A 110 -2.048 1.480 8.611 1.00 0.00 C ATOM 1768 C GLN A 110 -2.367 2.938 8.292 1.00 0.00 C ATOM 1769 O GLN A 110 -3.441 3.439 8.639 1.00 0.00 O ATOM 1770 CB GLN A 110 -1.355 1.356 9.978 1.00 0.00 C ATOM 1771 CG GLN A 110 -0.087 2.201 10.141 1.00 0.00 C ATOM 1772 CD GLN A 110 -0.326 3.503 10.887 1.00 0.00 C ATOM 1773 OE1 GLN A 110 -0.557 4.551 10.286 1.00 0.00 O ATOM 1774 NE2 GLN A 110 -0.302 3.437 12.209 1.00 0.00 N ATOM 0 H GLN A 110 -0.268 0.650 7.861 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.990 0.934 8.652 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -2.065 1.640 10.755 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -1.100 0.310 10.146 1.00 0.00 H new ATOM 0 HG2 GLN A 110 0.664 1.618 10.673 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.322 2.424 9.156 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.107 2.549 12.672 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -0.479 4.274 12.765 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.436 3.596 7.607 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.585 4.999 7.240 1.00 0.00 C ATOM 1785 C LEU A 111 -2.745 5.176 6.262 1.00 0.00 C ATOM 1786 O LEU A 111 -3.600 6.046 6.446 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.279 5.520 6.624 1.00 0.00 C ATOM 1788 CG LEU A 111 -0.270 7.012 6.262 1.00 0.00 C ATOM 1789 CD1 LEU A 111 -0.432 7.879 7.511 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.007 7.378 5.508 1.00 0.00 C ATOM 0 H LEU A 111 -0.562 3.174 7.293 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.805 5.576 8.138 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.534 5.329 7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.067 4.944 5.723 1.00 0.00 H new ATOM 0 HG LEU A 111 -1.119 7.206 5.607 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -0.422 8.931 7.227 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -1.378 7.643 7.997 1.00 0.00 H new ATOM 0 HD13 LEU A 111 0.389 7.682 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 111 0.992 8.440 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.873 7.163 6.134 1.00 0.00 H new ATOM 0 HD23 LEU A 111 1.068 6.793 4.590 1.00 0.00 H new ATOM 1802 N MET A 112 -2.776 4.337 5.226 1.00 0.00 N ATOM 1803 CA MET A 112 -3.855 4.373 4.238 1.00 0.00 C ATOM 1804 C MET A 112 -5.190 4.057 4.906 1.00 0.00 C ATOM 1805 O MET A 112 -6.218 4.669 4.601 1.00 0.00 O ATOM 1806 CB MET A 112 -3.604 3.359 3.110 1.00 0.00 C ATOM 1807 CG MET A 112 -2.331 3.601 2.313 1.00 0.00 C ATOM 1808 SD MET A 112 -2.127 2.414 0.967 1.00 0.00 S ATOM 1809 CE MET A 112 -2.136 0.863 1.866 1.00 0.00 C ATOM 0 H MET A 112 -2.067 3.625 5.049 1.00 0.00 H new ATOM 0 HA MET A 112 -3.884 5.376 3.811 1.00 0.00 H new ATOM 0 HB2 MET A 112 -3.563 2.359 3.541 1.00 0.00 H new ATOM 0 HB3 MET A 112 -4.454 3.377 2.427 1.00 0.00 H new ATOM 0 HG2 MET A 112 -2.348 4.611 1.904 1.00 0.00 H new ATOM 0 HG3 MET A 112 -1.471 3.542 2.980 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.947 0.041 1.175 1.00 0.00 H new ATOM 0 HE2 MET A 112 -1.359 0.881 2.630 1.00 0.00 H new ATOM 0 HE3 MET A 112 -3.107 0.723 2.340 1.00 0.00 H new ATOM 1819 N GLU A 113 -5.151 3.103 5.831 1.00 0.00 N ATOM 1820 CA GLU A 113 -6.349 2.618 6.501 1.00 0.00 C ATOM 1821 C GLU A 113 -7.074 3.751 7.234 1.00 0.00 C ATOM 1822 O GLU A 113 -8.203 4.109 6.884 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.988 1.494 7.486 1.00 0.00 C ATOM 1824 CG GLU A 113 -7.199 0.856 8.164 1.00 0.00 C ATOM 1825 CD GLU A 113 -6.821 -0.158 9.234 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -6.552 0.258 10.382 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -6.803 -1.374 8.940 1.00 0.00 O ATOM 0 H GLU A 113 -4.291 2.647 6.135 1.00 0.00 H new ATOM 0 HA GLU A 113 -7.023 2.224 5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -5.433 0.722 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -5.324 1.894 8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -7.810 1.639 8.614 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -7.814 0.366 7.409 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.397 4.340 8.216 1.00 0.00 N ATOM 1835 CA GLN A 114 -7.031 5.273 9.150 1.00 0.00 C ATOM 1836 C GLN A 114 -7.753 6.427 8.442 1.00 0.00 C ATOM 1837 O GLN A 114 -8.768 6.921 8.940 1.00 0.00 O ATOM 1838 CB GLN A 114 -6.000 5.825 10.145 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.856 6.601 9.500 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.905 7.188 10.527 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -2.921 6.561 10.919 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -4.195 8.399 10.977 1.00 0.00 N ATOM 0 H GLN A 114 -5.403 4.188 8.388 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.789 4.705 9.690 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.510 6.476 10.855 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.584 4.995 10.716 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.303 5.940 8.832 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.265 7.404 8.887 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -5.019 8.889 10.629 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -3.594 8.842 11.672 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.251 6.849 7.283 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.824 8.003 6.582 1.00 0.00 C ATOM 1853 C ASP A 115 -8.649 7.584 5.362 1.00 0.00 C ATOM 1854 O ASP A 115 -9.861 7.809 5.317 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.721 8.986 6.159 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.280 10.231 5.473 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -8.298 10.781 5.956 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -6.703 10.676 4.461 1.00 0.00 O ATOM 0 H ASP A 115 -6.457 6.416 6.811 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.496 8.499 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -6.149 9.285 7.037 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -6.029 8.482 5.484 1.00 0.00 H new ATOM 1863 N SER A 116 -7.999 6.969 4.382 1.00 0.00 N ATOM 1864 CA SER A 116 -8.651 6.649 3.114 1.00 0.00 C ATOM 1865 C SER A 116 -9.682 5.530 3.291 1.00 0.00 C ATOM 1866 O SER A 116 -10.793 5.609 2.763 1.00 0.00 O ATOM 1867 CB SER A 116 -7.603 6.254 2.064 1.00 0.00 C ATOM 1868 OG SER A 116 -8.186 6.111 0.781 1.00 0.00 O ATOM 0 H SER A 116 -7.022 6.681 4.439 1.00 0.00 H new ATOM 0 HA SER A 116 -9.178 7.538 2.768 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.819 7.011 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 116 -7.128 5.317 2.356 1.00 0.00 H new ATOM 0 HG SER A 116 -8.173 6.974 0.318 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.327 4.505 4.065 1.00 0.00 N ATOM 1875 CA TYR A 117 -10.185 3.332 4.233 1.00 0.00 C ATOM 1876 C TYR A 117 -11.463 3.683 4.991 1.00 0.00 C ATOM 1877 O TYR A 117 -12.532 3.150 4.691 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.399 2.214 4.935 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.234 1.106 5.557 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.770 0.080 4.785 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.456 1.076 6.932 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.505 -0.937 5.365 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.183 0.061 7.516 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.706 -0.941 6.732 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.424 -1.956 7.318 1.00 0.00 O ATOM 0 H TYR A 117 -8.451 4.463 4.586 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.491 2.975 3.250 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.717 1.766 4.212 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.786 2.663 5.716 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.609 0.078 3.717 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -10.051 1.862 7.552 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.920 -1.724 4.753 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.341 0.052 8.584 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.631 -2.640 6.647 1.00 0.00 H new ATOM 1895 N THR A 118 -11.364 4.590 5.958 1.00 0.00 N ATOM 1896 CA THR A 118 -12.536 5.014 6.717 1.00 0.00 C ATOM 1897 C THR A 118 -13.525 5.749 5.805 1.00 0.00 C ATOM 1898 O THR A 118 -14.721 5.421 5.768 1.00 0.00 O ATOM 1899 CB THR A 118 -12.145 5.905 7.919 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.290 6.971 7.487 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.438 5.087 8.996 1.00 0.00 C ATOM 0 H THR A 118 -10.492 5.042 6.233 1.00 0.00 H new ATOM 0 HA THR A 118 -13.017 4.119 7.112 1.00 0.00 H new ATOM 0 HB THR A 118 -13.059 6.322 8.341 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.442 6.929 7.976 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.173 5.736 9.831 1.00 0.00 H new ATOM 0 HG22 THR A 118 -12.102 4.297 9.347 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.533 4.643 8.580 1.00 0.00 H new ATOM 1909 N ARG A 119 -13.024 6.720 5.041 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.870 7.418 4.081 1.00 0.00 C ATOM 1911 C ARG A 119 -14.380 6.434 3.035 1.00 0.00 C ATOM 1912 O ARG A 119 -15.506 6.549 2.566 1.00 0.00 O ATOM 1913 CB ARG A 119 -13.138 8.581 3.396 1.00 0.00 C ATOM 1914 CG ARG A 119 -14.005 9.281 2.352 1.00 0.00 C ATOM 1915 CD ARG A 119 -13.304 10.449 1.678 1.00 0.00 C ATOM 1916 NE ARG A 119 -14.102 10.963 0.561 1.00 0.00 N ATOM 1917 CZ ARG A 119 -14.162 12.242 0.199 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -13.459 13.161 0.842 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -14.925 12.599 -0.825 1.00 0.00 N ATOM 0 H ARG A 119 -12.054 7.035 5.068 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.709 7.844 4.631 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -12.826 9.304 4.149 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -12.232 8.206 2.920 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -14.304 8.558 1.593 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -14.918 9.639 2.828 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -13.133 11.244 2.404 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -12.326 10.132 1.316 1.00 0.00 H new ATOM 0 HE ARG A 119 -14.650 10.292 0.023 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -12.863 12.892 1.625 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -13.514 14.138 0.555 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -15.462 11.895 -1.331 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -14.975 13.578 -1.107 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.552 5.451 2.693 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.948 4.414 1.748 1.00 0.00 C ATOM 1935 C PHE A 120 -15.145 3.636 2.290 1.00 0.00 C ATOM 1936 O PHE A 120 -16.013 3.212 1.529 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.780 3.462 1.452 1.00 0.00 C ATOM 1938 CG PHE A 120 -13.105 2.413 0.416 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -13.111 2.734 -0.934 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.412 1.110 0.791 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.415 1.780 -1.886 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.718 0.155 -0.159 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.719 0.490 -1.498 1.00 0.00 C ATOM 0 H PHE A 120 -12.604 5.352 3.056 1.00 0.00 H new ATOM 0 HA PHE A 120 -14.234 4.896 0.813 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.924 4.045 1.111 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.481 2.968 2.376 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.875 3.741 -1.244 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.411 0.841 1.837 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.415 2.043 -2.933 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.956 -0.853 0.146 1.00 0.00 H new ATOM 0 HZ PHE A 120 -13.957 -0.256 -2.242 1.00 0.00 H new ATOM 1953 N LEU A 121 -15.198 3.470 3.610 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.326 2.797 4.252 1.00 0.00 C ATOM 1955 C LEU A 121 -17.590 3.647 4.153 1.00 0.00 C ATOM 1956 O LEU A 121 -18.705 3.129 4.227 1.00 0.00 O ATOM 1957 CB LEU A 121 -16.021 2.484 5.724 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.869 1.494 5.963 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.681 1.236 7.455 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.114 0.188 5.208 1.00 0.00 C ATOM 0 H LEU A 121 -14.476 3.791 4.255 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.490 1.856 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.787 3.418 6.235 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.923 2.084 6.187 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.950 1.938 5.579 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.861 0.533 7.602 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.450 2.174 7.960 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.597 0.817 7.870 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.287 -0.498 5.391 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.044 -0.263 5.554 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.186 0.393 4.140 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.418 4.959 4.012 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.565 5.857 3.854 1.00 0.00 C ATOM 1974 C LYS A 122 -18.592 6.498 2.460 1.00 0.00 C ATOM 1975 O LYS A 122 -19.319 7.470 2.229 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.551 6.938 4.948 1.00 0.00 C ATOM 1977 CG LYS A 122 -19.934 7.219 5.527 1.00 0.00 C ATOM 1978 CD LYS A 122 -20.519 5.962 6.168 1.00 0.00 C ATOM 1979 CE LYS A 122 -21.958 6.155 6.623 1.00 0.00 C ATOM 1980 NZ LYS A 122 -22.506 4.922 7.247 1.00 0.00 N ATOM 0 H LYS A 122 -16.509 5.422 4.003 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.472 5.262 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.884 6.625 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -18.142 7.860 4.535 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -19.868 8.014 6.270 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -20.598 7.574 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.474 5.140 5.454 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -19.906 5.675 7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -22.007 6.977 7.337 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -22.575 6.437 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -23.488 5.091 7.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -22.482 4.144 6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -21.932 4.668 8.076 1.00 0.00 H new ATOM 1994 N SER A 123 -17.815 5.945 1.534 1.00 0.00 N ATOM 1995 CA SER A 123 -17.746 6.471 0.173 1.00 0.00 C ATOM 1996 C SER A 123 -19.020 6.136 -0.595 1.00 0.00 C ATOM 1997 O SER A 123 -19.730 5.186 -0.252 1.00 0.00 O ATOM 1998 CB SER A 123 -16.534 5.888 -0.563 1.00 0.00 C ATOM 1999 OG SER A 123 -16.679 4.487 -0.760 1.00 0.00 O ATOM 0 H SER A 123 -17.223 5.131 1.701 1.00 0.00 H new ATOM 0 HA SER A 123 -17.642 7.554 0.232 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.417 6.384 -1.527 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.628 6.086 0.009 1.00 0.00 H new ATOM 0 HG SER A 123 -16.454 4.015 0.069 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.295 6.907 -1.644 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.427 6.641 -2.529 1.00 0.00 C ATOM 2007 C ASP A 124 -20.344 5.213 -3.073 1.00 0.00 C ATOM 2008 O ASP A 124 -21.362 4.589 -3.378 1.00 0.00 O ATOM 2009 CB ASP A 124 -20.444 7.645 -3.691 1.00 0.00 C ATOM 2010 CG ASP A 124 -19.249 7.484 -4.623 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -18.113 7.788 -4.198 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -19.440 7.043 -5.778 1.00 0.00 O ATOM 0 H ASP A 124 -18.746 7.726 -1.903 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.349 6.751 -1.958 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.364 7.519 -4.261 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.453 8.659 -3.290 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.114 4.711 -3.176 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.857 3.344 -3.618 1.00 0.00 C ATOM 2019 C ILE A 125 -19.477 2.343 -2.645 1.00 0.00 C ATOM 2020 O ILE A 125 -20.304 1.507 -3.025 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.332 3.063 -3.707 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -16.635 4.107 -4.594 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -17.071 1.650 -4.227 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -15.128 3.956 -4.639 1.00 0.00 C ATOM 0 H ILE A 125 -18.270 5.240 -2.956 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.304 3.232 -4.606 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.915 3.138 -2.703 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -17.030 4.032 -5.607 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -16.881 5.104 -4.229 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.997 1.475 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -17.523 0.924 -3.551 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.507 1.542 -5.220 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -14.704 4.726 -5.284 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -14.722 4.061 -3.633 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -14.873 2.972 -5.033 1.00 0.00 H new ATOM 2036 N TYR A 126 -19.083 2.451 -1.381 1.00 0.00 N ATOM 2037 CA TYR A 126 -19.504 1.501 -0.359 1.00 0.00 C ATOM 2038 C TYR A 126 -20.989 1.674 -0.045 1.00 0.00 C ATOM 2039 O TYR A 126 -21.711 0.694 0.140 1.00 0.00 O ATOM 2040 CB TYR A 126 -18.659 1.680 0.907 1.00 0.00 C ATOM 2041 CG TYR A 126 -18.745 0.510 1.872 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -18.068 -0.675 1.611 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -19.496 0.591 3.040 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -18.136 -1.743 2.482 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -19.568 -0.474 3.916 1.00 0.00 C ATOM 2046 CZ TYR A 126 -18.887 -1.638 3.633 1.00 0.00 C ATOM 2047 OH TYR A 126 -18.952 -2.698 4.504 1.00 0.00 O ATOM 0 H TYR A 126 -18.470 3.191 -1.039 1.00 0.00 H new ATOM 0 HA TYR A 126 -19.353 0.490 -0.738 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -17.618 1.826 0.620 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.978 2.587 1.421 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -17.478 -0.762 0.710 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -20.031 1.501 3.265 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -17.603 -2.657 2.263 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -20.155 -0.395 4.819 1.00 0.00 H new ATOM 0 HH TYR A 126 -18.251 -3.347 4.283 1.00 0.00 H new ATOM 2057 N LEU A 127 -21.441 2.927 -0.005 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.853 3.232 0.221 1.00 0.00 C ATOM 2059 C LEU A 127 -23.705 2.621 -0.889 1.00 0.00 C ATOM 2060 O LEU A 127 -24.847 2.216 -0.665 1.00 0.00 O ATOM 2061 CB LEU A 127 -23.079 4.751 0.286 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.367 5.477 1.440 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -22.603 6.983 1.357 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -22.827 4.929 2.791 1.00 0.00 C ATOM 0 H LEU A 127 -20.849 3.748 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 127 -23.150 2.800 1.177 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.749 5.191 -0.655 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -24.150 4.938 0.367 1.00 0.00 H new ATOM 0 HG LEU A 127 -21.296 5.295 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -22.091 7.478 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -22.215 7.360 0.411 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.672 7.188 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -22.311 5.457 3.593 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -23.902 5.074 2.895 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -22.597 3.865 2.850 1.00 0.00 H new ATOM 2076 N ASP A 128 -23.131 2.554 -2.087 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.791 1.939 -3.238 1.00 0.00 C ATOM 2078 C ASP A 128 -23.950 0.436 -3.015 1.00 0.00 C ATOM 2079 O ASP A 128 -24.959 -0.160 -3.395 1.00 0.00 O ATOM 2080 CB ASP A 128 -22.981 2.210 -4.513 1.00 0.00 C ATOM 2081 CG ASP A 128 -23.593 1.588 -5.756 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -24.621 2.105 -6.241 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -23.043 0.584 -6.261 1.00 0.00 O ATOM 0 H ASP A 128 -22.201 2.922 -2.288 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.782 2.377 -3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -22.895 3.287 -4.659 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.970 1.824 -4.382 1.00 0.00 H new ATOM 2088 N LEU A 129 -22.945 -0.162 -2.381 1.00 0.00 N ATOM 2089 CA LEU A 129 -22.965 -1.588 -2.053 1.00 0.00 C ATOM 2090 C LEU A 129 -23.917 -1.863 -0.884 1.00 0.00 C ATOM 2091 O LEU A 129 -24.508 -2.939 -0.782 1.00 0.00 O ATOM 2092 CB LEU A 129 -21.548 -2.062 -1.699 1.00 0.00 C ATOM 2093 CG LEU A 129 -20.484 -1.809 -2.780 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -19.098 -2.211 -2.281 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -20.836 -2.549 -4.072 1.00 0.00 C ATOM 0 H LEU A 129 -22.099 0.322 -2.081 1.00 0.00 H new ATOM 0 HA LEU A 129 -23.322 -2.138 -2.924 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -21.235 -1.566 -0.780 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -21.582 -3.131 -1.488 1.00 0.00 H new ATOM 0 HG LEU A 129 -20.467 -0.741 -2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -18.361 -2.023 -3.062 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -18.846 -1.626 -1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -19.096 -3.271 -2.028 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -20.070 -2.356 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -20.889 -3.620 -3.875 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -21.801 -2.200 -4.440 1.00 0.00 H new ATOM 2107 N MET A 130 -24.066 -0.867 -0.014 1.00 0.00 N ATOM 2108 CA MET A 130 -24.904 -0.982 1.185 1.00 0.00 C ATOM 2109 C MET A 130 -26.361 -0.646 0.881 1.00 0.00 C ATOM 2110 O MET A 130 -27.172 -0.486 1.797 1.00 0.00 O ATOM 2111 CB MET A 130 -24.392 -0.033 2.272 1.00 0.00 C ATOM 2112 CG MET A 130 -23.013 -0.378 2.835 1.00 0.00 C ATOM 2113 SD MET A 130 -23.008 -1.839 3.904 1.00 0.00 S ATOM 2114 CE MET A 130 -22.943 -3.184 2.716 1.00 0.00 C ATOM 0 H MET A 130 -23.613 0.041 -0.116 1.00 0.00 H new ATOM 0 HA MET A 130 -24.848 -2.015 1.530 1.00 0.00 H new ATOM 0 HB2 MET A 130 -24.359 0.977 1.865 1.00 0.00 H new ATOM 0 HB3 MET A 130 -25.110 -0.023 3.092 1.00 0.00 H new ATOM 0 HG2 MET A 130 -22.323 -0.542 2.007 1.00 0.00 H new ATOM 0 HG3 MET A 130 -22.637 0.475 3.399 1.00 0.00 H new ATOM 0 HE1 MET A 130 -23.890 -3.723 2.725 1.00 0.00 H new ATOM 0 HE2 MET A 130 -22.764 -2.781 1.719 1.00 0.00 H new ATOM 0 HE3 MET A 130 -22.135 -3.866 2.982 1.00 0.00 H new ATOM 2124 N GLU A 131 -26.680 -0.532 -0.401 1.00 0.00 N ATOM 2125 CA GLU A 131 -28.016 -0.153 -0.835 1.00 0.00 C ATOM 2126 C GLU A 131 -29.087 -1.087 -0.257 1.00 0.00 C ATOM 2127 O GLU A 131 -29.309 -2.196 -0.756 1.00 0.00 O ATOM 2128 CB GLU A 131 -28.084 -0.136 -2.367 1.00 0.00 C ATOM 2129 CG GLU A 131 -29.461 0.208 -2.923 1.00 0.00 C ATOM 2130 CD GLU A 131 -29.976 1.568 -2.471 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -30.547 1.662 -1.364 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -29.822 2.551 -3.228 1.00 0.00 O ATOM 0 H GLU A 131 -26.024 -0.699 -1.164 1.00 0.00 H new ATOM 0 HA GLU A 131 -28.221 0.849 -0.457 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -27.360 0.586 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -27.785 -1.114 -2.745 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -29.420 0.187 -4.012 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -30.170 -0.561 -2.616 1.00 0.00 H new ATOM 2139 N GLY A 132 -29.712 -0.639 0.828 1.00 0.00 N ATOM 2140 CA GLY A 132 -30.864 -1.324 1.382 1.00 0.00 C ATOM 2141 C GLY A 132 -30.498 -2.476 2.301 1.00 0.00 C ATOM 2142 O GLY A 132 -30.817 -2.457 3.492 1.00 0.00 O ATOM 0 H GLY A 132 -29.435 0.199 1.339 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -31.472 -0.608 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -31.480 -1.702 0.566 1.00 0.00 H new ATOM 2146 N ARG A 133 -29.814 -3.473 1.755 1.00 0.00 N ATOM 2147 CA ARG A 133 -29.559 -4.720 2.476 1.00 0.00 C ATOM 2148 C ARG A 133 -28.187 -4.702 3.160 1.00 0.00 C ATOM 2149 O ARG A 133 -27.171 -4.428 2.518 1.00 0.00 O ATOM 2150 CB ARG A 133 -29.664 -5.928 1.525 1.00 0.00 C ATOM 2151 CG ARG A 133 -31.087 -6.225 1.040 1.00 0.00 C ATOM 2152 CD ARG A 133 -31.609 -5.159 0.081 1.00 0.00 C ATOM 2153 NE ARG A 133 -33.021 -5.360 -0.250 1.00 0.00 N ATOM 2154 CZ ARG A 133 -33.487 -5.558 -1.486 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -32.648 -5.640 -2.515 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -34.791 -5.692 -1.690 1.00 0.00 N ATOM 0 H ARG A 133 -29.424 -3.445 0.813 1.00 0.00 H new ATOM 0 HA ARG A 133 -30.320 -4.814 3.251 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -29.027 -5.750 0.659 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -29.274 -6.810 2.032 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -31.104 -7.196 0.544 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -31.754 -6.295 1.899 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -31.479 -4.174 0.529 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -31.017 -5.174 -0.834 1.00 0.00 H new ATOM 0 HE ARG A 133 -33.695 -5.348 0.516 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -31.643 -5.552 -2.362 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -33.009 -5.791 -3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -35.438 -5.644 -0.903 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -35.147 -5.843 -2.634 1.00 0.00 H new ATOM 2170 N PRO A 134 -28.154 -4.977 4.481 1.00 0.00 N ATOM 2171 CA PRO A 134 -26.916 -5.098 5.249 1.00 0.00 C ATOM 2172 C PRO A 134 -26.409 -6.545 5.273 1.00 0.00 C ATOM 2173 O PRO A 134 -26.688 -7.319 4.355 1.00 0.00 O ATOM 2174 CB PRO A 134 -27.368 -4.642 6.639 1.00 0.00 C ATOM 2175 CG PRO A 134 -28.773 -5.143 6.752 1.00 0.00 C ATOM 2176 CD PRO A 134 -29.337 -5.180 5.345 1.00 0.00 C ATOM 0 HA PRO A 134 -26.085 -4.522 4.841 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -26.733 -5.059 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -27.323 -3.557 6.736 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -28.795 -6.135 7.204 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -29.367 -4.489 7.390 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -29.826 -6.131 5.136 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -30.082 -4.399 5.193 1.00 0.00 H new TER 2184 PRO A 134