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 99 HIS : +bothHN:sc= -0.513 K(o=-2,f=-5.3!) USER MOD Set 1.2: A 105 GLN :FLIP amide:sc= -1.51 F(o=-6.1!,f=-2) USER MOD Set 2.1: A 92 SER OG : rot -34:sc= 0.274 USER MOD Set 2.2: A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 1 SER N :NH3+ 164:sc= 0.352 (180deg=0.243) 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 180:sc= -1.49! USER MOD Single : A 10 LYS NZ :NH3+ 157:sc= -0.115 (180deg=-0.63) USER MOD Single : A 14 SER OG : rot 160:sc= -0.255 USER MOD Single : A 17 LYS NZ :NH3+ -160:sc= 1.34 (180deg=1.19) USER MOD Single : A 20 SER OG : rot 1:sc= -0.821 USER MOD Single : A 21 HIS : no HD1:sc= -0.604 K(o=-0.6,f=-3.1!) USER MOD Single : A 29 THR OG1 : rot 160:sc= -1.59! USER MOD Single : A 33 LYS NZ :NH3+ -112:sc= 1.89 (180deg=-0.544) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 143:sc= 0.638 USER MOD Single : A 40 ASN : amide:sc= -2.16! C(o=-2.2!,f=-4.6!) USER MOD Single : A 47 CYS SG : rot 58:sc= -1.35! USER MOD Single : A 51 LYS NZ :NH3+ -143:sc= 1.11 (180deg=0.27) USER MOD Single : A 52 LYS NZ :NH3+ -166:sc= -0.0784 (180deg=-0.359) USER MOD Single : A 53 SER OG : rot -88:sc= -0.0731 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -1.1! C(o=-1.1!,f=-5!) USER MOD Single : A 58 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.2) USER MOD Single : A 60 HIS :FLIP no HE2:sc= -0.307 F(o=-2.2,f=-0.31) USER MOD Single : A 62 LYS NZ :NH3+ 169:sc= 1.12 (180deg=0.972) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.773 (180deg=-1.61!) USER MOD Single : A 67 TYR OH : rot 180:sc= -0.855 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc=-0.00619 (180deg=-0.172) USER MOD Single : A 72 GLN : amide:sc= 0.248 K(o=0.25,f=-15!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= 1.02 (180deg=0.425) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 120:sc= 0.459 USER MOD Single : A 86 LYS NZ :NH3+ -160:sc= 0.79 (180deg=0.616!) USER MOD Single : A 90 THR OG1 : rot 10:sc= 0.894 USER MOD Single : A 91 ASN : amide:sc= 1.17 K(o=1.2,f=-0.42) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= 0 F(o=-0.57,f=0) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 30:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.394 K(o=-0.39,f=-4.3!) USER MOD Single : A 112 MET CE :methyl -138:sc= -3.14! (180deg=-5.11!) USER MOD Single : A 114 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 116 SER OG : rot 84:sc= 0.558 USER MOD Single : A 117 TYR OH : rot 38:sc= -0.343 USER MOD Single : A 118 THR OG1 : rot -6:sc= 1.81 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -79:sc= 1.39 USER MOD Single : A 126 TYR OH : rot 6:sc= 1.2 USER MOD Single : A 130 MET CE :methyl 170:sc= -3.69! (180deg=-4.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.776 -6.416 -9.842 1.00 0.00 N ATOM 2 CA SER A 1 -17.846 -6.593 -8.841 1.00 0.00 C ATOM 3 C SER A 1 -18.087 -8.079 -8.584 1.00 0.00 C ATOM 4 O SER A 1 -18.788 -8.753 -9.346 1.00 0.00 O ATOM 5 CB SER A 1 -19.143 -5.912 -9.307 1.00 0.00 C ATOM 6 OG SER A 1 -20.183 -6.076 -8.352 1.00 0.00 O ATOM 0 H1 SER A 1 -16.801 -5.443 -10.209 1.00 0.00 H new ATOM 0 H2 SER A 1 -15.853 -6.595 -9.398 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.919 -7.085 -10.625 1.00 0.00 H new ATOM 0 HA SER A 1 -17.529 -6.123 -7.910 1.00 0.00 H new ATOM 0 HB2 SER A 1 -18.960 -4.850 -9.471 1.00 0.00 H new ATOM 0 HB3 SER A 1 -19.454 -6.333 -10.263 1.00 0.00 H new ATOM 0 HG SER A 1 -20.995 -5.632 -8.673 1.00 0.00 H new ATOM 14 N MET A 2 -17.473 -8.589 -7.525 1.00 0.00 N ATOM 15 CA MET A 2 -17.648 -9.976 -7.101 1.00 0.00 C ATOM 16 C MET A 2 -18.018 -9.996 -5.623 1.00 0.00 C ATOM 17 O MET A 2 -17.915 -11.022 -4.948 1.00 0.00 O ATOM 18 CB MET A 2 -16.355 -10.777 -7.332 1.00 0.00 C ATOM 19 CG MET A 2 -15.928 -10.868 -8.793 1.00 0.00 C ATOM 20 SD MET A 2 -17.099 -11.795 -9.811 1.00 0.00 S ATOM 21 CE MET A 2 -16.300 -11.707 -11.414 1.00 0.00 C ATOM 0 H MET A 2 -16.838 -8.054 -6.933 1.00 0.00 H new ATOM 0 HA MET A 2 -18.443 -10.436 -7.688 1.00 0.00 H new ATOM 0 HB2 MET A 2 -15.550 -10.319 -6.758 1.00 0.00 H new ATOM 0 HB3 MET A 2 -16.491 -11.786 -6.942 1.00 0.00 H new ATOM 0 HG2 MET A 2 -15.819 -9.862 -9.198 1.00 0.00 H new ATOM 0 HG3 MET A 2 -14.948 -11.343 -8.851 1.00 0.00 H new ATOM 0 HE1 MET A 2 -16.904 -12.236 -12.151 1.00 0.00 H new ATOM 0 HE2 MET A 2 -16.195 -10.664 -11.711 1.00 0.00 H new ATOM 0 HE3 MET A 2 -15.314 -12.168 -11.355 1.00 0.00 H new ATOM 31 N VAL A 3 -18.458 -8.840 -5.137 1.00 0.00 N ATOM 32 CA VAL A 3 -18.734 -8.638 -3.722 1.00 0.00 C ATOM 33 C VAL A 3 -20.238 -8.585 -3.438 1.00 0.00 C ATOM 34 O VAL A 3 -20.994 -7.894 -4.119 1.00 0.00 O ATOM 35 CB VAL A 3 -18.059 -7.336 -3.213 1.00 0.00 C ATOM 36 CG1 VAL A 3 -18.402 -6.153 -4.117 1.00 0.00 C ATOM 37 CG2 VAL A 3 -18.450 -7.042 -1.763 1.00 0.00 C ATOM 0 H VAL A 3 -18.633 -8.018 -5.714 1.00 0.00 H new ATOM 0 HA VAL A 3 -18.318 -9.493 -3.188 1.00 0.00 H new ATOM 0 HB VAL A 3 -16.980 -7.487 -3.246 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -17.917 -5.253 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -18.052 -6.355 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -19.482 -6.005 -4.129 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -17.962 -6.124 -1.434 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -19.531 -6.923 -1.695 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -18.135 -7.869 -1.126 1.00 0.00 H new ATOM 47 N SER A 4 -20.651 -9.355 -2.440 1.00 0.00 N ATOM 48 CA SER A 4 -22.001 -9.296 -1.895 1.00 0.00 C ATOM 49 C SER A 4 -21.963 -8.470 -0.605 1.00 0.00 C ATOM 50 O SER A 4 -20.898 -8.351 -0.002 1.00 0.00 O ATOM 51 CB SER A 4 -22.494 -10.729 -1.617 1.00 0.00 C ATOM 52 OG SER A 4 -23.809 -10.749 -1.087 1.00 0.00 O ATOM 0 H SER A 4 -20.054 -10.044 -1.982 1.00 0.00 H new ATOM 0 HA SER A 4 -22.687 -8.827 -2.600 1.00 0.00 H new ATOM 0 HB2 SER A 4 -22.468 -11.306 -2.541 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.815 -11.216 -0.917 1.00 0.00 H new ATOM 0 HG SER A 4 -24.083 -11.676 -0.927 1.00 0.00 H new ATOM 58 N PRO A 5 -23.092 -7.869 -0.167 1.00 0.00 N ATOM 59 CA PRO A 5 -23.149 -7.118 1.097 1.00 0.00 C ATOM 60 C PRO A 5 -22.412 -7.827 2.242 1.00 0.00 C ATOM 61 O PRO A 5 -21.740 -7.189 3.058 1.00 0.00 O ATOM 62 CB PRO A 5 -24.652 -7.041 1.374 1.00 0.00 C ATOM 63 CG PRO A 5 -25.270 -6.993 0.017 1.00 0.00 C ATOM 64 CD PRO A 5 -24.390 -7.836 -0.878 1.00 0.00 C ATOM 0 HA PRO A 5 -22.661 -6.146 1.026 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -24.998 -7.906 1.939 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -24.905 -6.157 1.959 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -26.288 -7.381 0.039 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -25.328 -5.968 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -24.798 -8.838 -1.012 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -24.291 -7.397 -1.871 1.00 0.00 H new ATOM 72 N GLU A 6 -22.520 -9.154 2.276 1.00 0.00 N ATOM 73 CA GLU A 6 -21.818 -9.966 3.271 1.00 0.00 C ATOM 74 C GLU A 6 -20.310 -9.907 3.030 1.00 0.00 C ATOM 75 O GLU A 6 -19.513 -9.755 3.958 1.00 0.00 O ATOM 76 CB GLU A 6 -22.310 -11.418 3.197 1.00 0.00 C ATOM 77 CG GLU A 6 -23.818 -11.564 3.381 1.00 0.00 C ATOM 78 CD GLU A 6 -24.290 -11.159 4.770 1.00 0.00 C ATOM 79 OE1 GLU A 6 -24.454 -9.946 5.029 1.00 0.00 O ATOM 80 OE2 GLU A 6 -24.504 -12.053 5.613 1.00 0.00 O ATOM 0 H GLU A 6 -23.089 -9.693 1.623 1.00 0.00 H new ATOM 0 HA GLU A 6 -22.027 -9.570 4.265 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -22.028 -11.839 2.232 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -21.801 -12.004 3.962 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -24.330 -10.954 2.637 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -24.103 -12.599 3.194 1.00 0.00 H new ATOM 87 N GLU A 7 -19.933 -10.007 1.764 1.00 0.00 N ATOM 88 CA GLU A 7 -18.535 -9.946 1.362 1.00 0.00 C ATOM 89 C GLU A 7 -17.980 -8.542 1.612 1.00 0.00 C ATOM 90 O GLU A 7 -16.773 -8.353 1.763 1.00 0.00 O ATOM 91 CB GLU A 7 -18.411 -10.319 -0.122 1.00 0.00 C ATOM 92 CG GLU A 7 -16.989 -10.607 -0.578 1.00 0.00 C ATOM 93 CD GLU A 7 -16.379 -11.797 0.144 1.00 0.00 C ATOM 94 OE1 GLU A 7 -16.927 -12.913 0.018 1.00 0.00 O ATOM 95 OE2 GLU A 7 -15.350 -11.621 0.828 1.00 0.00 O ATOM 0 H GLU A 7 -20.584 -10.132 0.989 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.956 -10.655 1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -19.027 -11.197 -0.317 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -18.816 -9.505 -0.724 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.986 -10.796 -1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.370 -9.726 -0.408 1.00 0.00 H new ATOM 102 N ALA A 8 -18.877 -7.561 1.659 1.00 0.00 N ATOM 103 CA ALA A 8 -18.500 -6.178 1.918 1.00 0.00 C ATOM 104 C ALA A 8 -18.138 -5.981 3.389 1.00 0.00 C ATOM 105 O ALA A 8 -17.104 -5.388 3.708 1.00 0.00 O ATOM 106 CB ALA A 8 -19.625 -5.232 1.507 1.00 0.00 C ATOM 0 H ALA A 8 -19.878 -7.702 1.520 1.00 0.00 H new ATOM 0 HA ALA A 8 -17.619 -5.945 1.319 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -19.327 -4.203 1.707 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -19.829 -5.350 0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -20.524 -5.467 2.077 1.00 0.00 H new ATOM 112 N VAL A 9 -18.984 -6.494 4.290 1.00 0.00 N ATOM 113 CA VAL A 9 -18.728 -6.366 5.727 1.00 0.00 C ATOM 114 C VAL A 9 -17.445 -7.101 6.110 1.00 0.00 C ATOM 115 O VAL A 9 -16.816 -6.778 7.122 1.00 0.00 O ATOM 116 CB VAL A 9 -19.904 -6.878 6.605 1.00 0.00 C ATOM 117 CG1 VAL A 9 -21.205 -6.164 6.245 1.00 0.00 C ATOM 118 CG2 VAL A 9 -20.066 -8.393 6.495 1.00 0.00 C ATOM 0 H VAL A 9 -19.840 -6.995 4.053 1.00 0.00 H new ATOM 0 HA VAL A 9 -18.620 -5.299 5.923 1.00 0.00 H new ATOM 0 HB VAL A 9 -19.664 -6.646 7.643 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -22.012 -6.540 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -21.089 -5.092 6.407 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -21.444 -6.349 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -20.897 -8.717 7.122 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -20.267 -8.663 5.458 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -19.150 -8.882 6.827 1.00 0.00 H new ATOM 128 N LYS A 10 -17.067 -8.094 5.296 1.00 0.00 N ATOM 129 CA LYS A 10 -15.777 -8.770 5.445 1.00 0.00 C ATOM 130 C LYS A 10 -14.645 -7.744 5.491 1.00 0.00 C ATOM 131 O LYS A 10 -13.769 -7.795 6.355 1.00 0.00 O ATOM 132 CB LYS A 10 -15.525 -9.730 4.271 1.00 0.00 C ATOM 133 CG LYS A 10 -16.462 -10.932 4.200 1.00 0.00 C ATOM 134 CD LYS A 10 -16.208 -11.929 5.326 1.00 0.00 C ATOM 135 CE LYS A 10 -16.935 -13.245 5.079 1.00 0.00 C ATOM 136 NZ LYS A 10 -16.485 -13.896 3.817 1.00 0.00 N ATOM 0 H LYS A 10 -17.638 -8.446 4.528 1.00 0.00 H new ATOM 0 HA LYS A 10 -15.803 -9.337 6.376 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -15.609 -9.169 3.340 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -14.499 -10.093 4.333 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -17.495 -10.588 4.248 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -16.337 -11.432 3.240 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -15.138 -12.114 5.415 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -16.538 -11.502 6.273 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -16.762 -13.919 5.918 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -18.009 -13.064 5.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -16.680 -14.916 3.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -16.997 -13.483 3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -15.464 -13.744 3.693 1.00 0.00 H new ATOM 150 N TRP A 11 -14.692 -6.801 4.557 1.00 0.00 N ATOM 151 CA TRP A 11 -13.641 -5.797 4.415 1.00 0.00 C ATOM 152 C TRP A 11 -13.583 -4.903 5.651 1.00 0.00 C ATOM 153 O TRP A 11 -12.526 -4.383 6.005 1.00 0.00 O ATOM 154 CB TRP A 11 -13.885 -4.955 3.156 1.00 0.00 C ATOM 155 CG TRP A 11 -14.067 -5.775 1.910 1.00 0.00 C ATOM 156 CD1 TRP A 11 -13.806 -7.109 1.756 1.00 0.00 C ATOM 157 CD2 TRP A 11 -14.542 -5.313 0.640 1.00 0.00 C ATOM 158 NE1 TRP A 11 -14.102 -7.503 0.477 1.00 0.00 N ATOM 159 CE2 TRP A 11 -14.551 -6.419 -0.229 1.00 0.00 C ATOM 160 CE3 TRP A 11 -14.966 -4.072 0.154 1.00 0.00 C ATOM 161 CZ2 TRP A 11 -14.962 -6.322 -1.554 1.00 0.00 C ATOM 162 CZ3 TRP A 11 -15.374 -3.977 -1.163 1.00 0.00 C ATOM 163 CH2 TRP A 11 -15.369 -5.097 -2.003 1.00 0.00 C ATOM 0 H TRP A 11 -15.451 -6.710 3.882 1.00 0.00 H new ATOM 0 HA TRP A 11 -12.683 -6.307 4.317 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -14.771 -4.338 3.308 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -13.044 -4.276 3.015 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -13.422 -7.757 2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -14.004 -8.450 0.111 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -14.974 -3.204 0.796 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -14.960 -7.184 -2.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -15.702 -3.024 -1.550 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -15.694 -4.991 -3.028 1.00 0.00 H new ATOM 174 N GLY A 12 -14.728 -4.752 6.311 1.00 0.00 N ATOM 175 CA GLY A 12 -14.810 -3.931 7.506 1.00 0.00 C ATOM 176 C GLY A 12 -14.184 -4.603 8.713 1.00 0.00 C ATOM 177 O GLY A 12 -14.001 -3.972 9.758 1.00 0.00 O ATOM 0 H GLY A 12 -15.608 -5.188 6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -14.311 -2.979 7.324 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -15.855 -3.708 7.719 1.00 0.00 H new ATOM 181 N GLU A 13 -13.871 -5.893 8.573 1.00 0.00 N ATOM 182 CA GLU A 13 -13.244 -6.663 9.648 1.00 0.00 C ATOM 183 C GLU A 13 -11.740 -6.401 9.688 1.00 0.00 C ATOM 184 O GLU A 13 -11.096 -6.570 10.727 1.00 0.00 O ATOM 185 CB GLU A 13 -13.497 -8.165 9.460 1.00 0.00 C ATOM 186 CG GLU A 13 -14.970 -8.535 9.331 1.00 0.00 C ATOM 187 CD GLU A 13 -15.187 -10.037 9.257 1.00 0.00 C ATOM 188 OE1 GLU A 13 -14.965 -10.623 8.179 1.00 0.00 O ATOM 189 OE2 GLU A 13 -15.556 -10.642 10.284 1.00 0.00 O ATOM 0 H GLU A 13 -14.043 -6.428 7.722 1.00 0.00 H new ATOM 0 HA GLU A 13 -13.688 -6.344 10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.969 -8.503 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -13.071 -8.703 10.306 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.518 -8.133 10.183 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -15.382 -8.067 8.437 1.00 0.00 H new ATOM 196 N SER A 14 -11.189 -6.002 8.544 1.00 0.00 N ATOM 197 CA SER A 14 -9.766 -5.713 8.433 1.00 0.00 C ATOM 198 C SER A 14 -9.445 -5.106 7.072 1.00 0.00 C ATOM 199 O SER A 14 -9.853 -5.627 6.029 1.00 0.00 O ATOM 200 CB SER A 14 -8.928 -6.982 8.642 1.00 0.00 C ATOM 201 OG SER A 14 -7.539 -6.710 8.508 1.00 0.00 O ATOM 0 H SER A 14 -11.712 -5.872 7.678 1.00 0.00 H new ATOM 0 HA SER A 14 -9.513 -4.995 9.213 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.127 -7.393 9.632 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.224 -7.740 7.917 1.00 0.00 H new ATOM 0 HG SER A 14 -7.023 -7.419 8.946 1.00 0.00 H new ATOM 207 N PHE A 15 -8.694 -4.014 7.097 1.00 0.00 N ATOM 208 CA PHE A 15 -8.202 -3.367 5.887 1.00 0.00 C ATOM 209 C PHE A 15 -7.299 -4.334 5.117 1.00 0.00 C ATOM 210 O PHE A 15 -7.161 -4.247 3.896 1.00 0.00 O ATOM 211 CB PHE A 15 -7.449 -2.082 6.274 1.00 0.00 C ATOM 212 CG PHE A 15 -6.892 -1.290 5.117 1.00 0.00 C ATOM 213 CD1 PHE A 15 -7.695 -0.928 4.047 1.00 0.00 C ATOM 214 CD2 PHE A 15 -5.564 -0.888 5.113 1.00 0.00 C ATOM 215 CE1 PHE A 15 -7.184 -0.188 2.999 1.00 0.00 C ATOM 216 CE2 PHE A 15 -5.049 -0.151 4.067 1.00 0.00 C ATOM 217 CZ PHE A 15 -5.858 0.200 3.009 1.00 0.00 C ATOM 0 H PHE A 15 -8.407 -3.550 7.959 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.035 -3.097 5.237 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -8.124 -1.441 6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -6.628 -2.348 6.940 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.732 -1.228 4.033 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -4.924 -1.156 5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -7.821 0.087 2.171 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -4.012 0.151 4.078 1.00 0.00 H new ATOM 0 HZ PHE A 15 -5.457 0.777 2.189 1.00 0.00 H new ATOM 227 N ASP A 16 -6.709 -5.278 5.851 1.00 0.00 N ATOM 228 CA ASP A 16 -5.884 -6.326 5.254 1.00 0.00 C ATOM 229 C ASP A 16 -6.756 -7.275 4.437 1.00 0.00 C ATOM 230 O ASP A 16 -6.345 -7.763 3.385 1.00 0.00 O ATOM 231 CB ASP A 16 -5.136 -7.105 6.346 1.00 0.00 C ATOM 232 CG ASP A 16 -4.250 -8.212 5.784 1.00 0.00 C ATOM 233 OD1 ASP A 16 -3.117 -7.913 5.353 1.00 0.00 O ATOM 234 OD2 ASP A 16 -4.676 -9.391 5.786 1.00 0.00 O ATOM 0 H ASP A 16 -6.789 -5.337 6.866 1.00 0.00 H new ATOM 0 HA ASP A 16 -5.151 -5.861 4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.522 -6.413 6.923 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -5.860 -7.540 7.035 1.00 0.00 H new ATOM 239 N LYS A 17 -7.974 -7.515 4.924 1.00 0.00 N ATOM 240 CA LYS A 17 -8.919 -8.392 4.237 1.00 0.00 C ATOM 241 C LYS A 17 -9.412 -7.724 2.956 1.00 0.00 C ATOM 242 O LYS A 17 -9.619 -8.381 1.936 1.00 0.00 O ATOM 243 CB LYS A 17 -10.106 -8.743 5.146 1.00 0.00 C ATOM 244 CG LYS A 17 -11.009 -9.826 4.568 1.00 0.00 C ATOM 245 CD LYS A 17 -12.068 -10.301 5.560 1.00 0.00 C ATOM 246 CE LYS A 17 -11.456 -10.828 6.854 1.00 0.00 C ATOM 247 NZ LYS A 17 -12.462 -11.536 7.689 1.00 0.00 N ATOM 0 H LYS A 17 -8.328 -7.113 5.792 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.405 -9.319 3.982 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -9.728 -9.073 6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.696 -7.844 5.324 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.500 -9.444 3.673 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.399 -10.675 4.259 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -12.743 -9.477 5.790 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -12.668 -11.085 5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.636 -11.506 6.619 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.032 -9.999 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -12.127 -11.581 8.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.366 -11.022 7.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.598 -12.501 7.325 1.00 0.00 H new ATOM 261 N LEU A 18 -9.594 -6.410 3.026 1.00 0.00 N ATOM 262 CA LEU A 18 -9.957 -5.611 1.860 1.00 0.00 C ATOM 263 C LEU A 18 -8.900 -5.764 0.765 1.00 0.00 C ATOM 264 O LEU A 18 -9.221 -5.985 -0.404 1.00 0.00 O ATOM 265 CB LEU A 18 -10.100 -4.133 2.268 1.00 0.00 C ATOM 266 CG LEU A 18 -10.312 -3.132 1.117 1.00 0.00 C ATOM 267 CD1 LEU A 18 -11.571 -3.461 0.326 1.00 0.00 C ATOM 268 CD2 LEU A 18 -10.374 -1.705 1.658 1.00 0.00 C ATOM 0 H LEU A 18 -9.495 -5.871 3.886 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.911 -5.963 1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.940 -4.047 2.957 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -9.205 -3.840 2.817 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.462 -3.211 0.439 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -11.694 -2.737 -0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -11.484 -4.462 -0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -12.437 -3.419 0.987 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -10.524 -1.009 0.833 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -11.202 -1.618 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -9.440 -1.468 2.167 1.00 0.00 H new ATOM 280 N LEU A 19 -7.639 -5.669 1.170 1.00 0.00 N ATOM 281 CA LEU A 19 -6.508 -5.734 0.246 1.00 0.00 C ATOM 282 C LEU A 19 -6.250 -7.161 -0.242 1.00 0.00 C ATOM 283 O LEU A 19 -5.772 -7.363 -1.360 1.00 0.00 O ATOM 284 CB LEU A 19 -5.253 -5.160 0.924 1.00 0.00 C ATOM 285 CG LEU A 19 -5.124 -3.619 0.911 1.00 0.00 C ATOM 286 CD1 LEU A 19 -6.483 -2.938 1.046 1.00 0.00 C ATOM 287 CD2 LEU A 19 -4.194 -3.156 2.030 1.00 0.00 C ATOM 0 H LEU A 19 -7.370 -5.545 2.146 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.754 -5.135 -0.631 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.237 -5.498 1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -4.375 -5.583 0.437 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.701 -3.332 -0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.351 -1.856 1.033 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.123 -3.236 0.215 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.947 -3.235 1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.112 -2.069 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.598 -3.471 2.992 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.207 -3.597 1.889 1.00 0.00 H new ATOM 299 N SER A 20 -6.556 -8.150 0.597 1.00 0.00 N ATOM 300 CA SER A 20 -6.373 -9.550 0.219 1.00 0.00 C ATOM 301 C SER A 20 -7.511 -10.008 -0.690 1.00 0.00 C ATOM 302 O SER A 20 -7.342 -10.913 -1.511 1.00 0.00 O ATOM 303 CB SER A 20 -6.284 -10.439 1.466 1.00 0.00 C ATOM 304 OG SER A 20 -7.439 -10.307 2.278 1.00 0.00 O ATOM 0 H SER A 20 -6.929 -8.009 1.536 1.00 0.00 H new ATOM 0 HA SER A 20 -5.436 -9.640 -0.330 1.00 0.00 H new ATOM 0 HB2 SER A 20 -6.166 -11.480 1.165 1.00 0.00 H new ATOM 0 HB3 SER A 20 -5.399 -10.172 2.043 1.00 0.00 H new ATOM 0 HG SER A 20 -8.066 -9.683 1.856 1.00 0.00 H new ATOM 310 N HIS A 21 -8.673 -9.372 -0.544 1.00 0.00 N ATOM 311 CA HIS A 21 -9.812 -9.658 -1.402 1.00 0.00 C ATOM 312 C HIS A 21 -9.537 -9.072 -2.783 1.00 0.00 C ATOM 313 O HIS A 21 -9.511 -7.860 -2.932 1.00 0.00 O ATOM 314 CB HIS A 21 -11.102 -9.052 -0.815 1.00 0.00 C ATOM 315 CG HIS A 21 -12.354 -9.639 -1.386 1.00 0.00 C ATOM 316 ND1 HIS A 21 -13.138 -8.999 -2.327 1.00 0.00 N ATOM 317 CD2 HIS A 21 -12.956 -10.827 -1.142 1.00 0.00 C ATOM 318 CE1 HIS A 21 -14.164 -9.771 -2.636 1.00 0.00 C ATOM 319 NE2 HIS A 21 -14.074 -10.883 -1.934 1.00 0.00 N ATOM 0 H HIS A 21 -8.846 -8.656 0.162 1.00 0.00 H new ATOM 0 HA HIS A 21 -9.952 -10.737 -1.474 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -11.103 -9.197 0.265 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -11.101 -7.976 -0.992 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -12.619 -11.587 -0.453 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -14.944 -9.532 -3.344 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -14.732 -11.662 -1.974 1.00 0.00 H new ATOM 328 N ARG A 22 -9.317 -9.927 -3.778 1.00 0.00 N ATOM 329 CA ARG A 22 -8.941 -9.479 -5.126 1.00 0.00 C ATOM 330 C ARG A 22 -9.864 -8.353 -5.609 1.00 0.00 C ATOM 331 O ARG A 22 -9.408 -7.275 -5.995 1.00 0.00 O ATOM 332 CB ARG A 22 -9.005 -10.658 -6.114 1.00 0.00 C ATOM 333 CG ARG A 22 -8.011 -10.551 -7.273 1.00 0.00 C ATOM 334 CD ARG A 22 -6.709 -11.297 -6.979 1.00 0.00 C ATOM 335 NE ARG A 22 -6.106 -10.909 -5.697 1.00 0.00 N ATOM 336 CZ ARG A 22 -5.960 -11.740 -4.656 1.00 0.00 C ATOM 337 NH1 ARG A 22 -6.451 -12.974 -4.709 1.00 0.00 N ATOM 338 NH2 ARG A 22 -5.344 -11.326 -3.556 1.00 0.00 N ATOM 0 H ARG A 22 -9.392 -10.940 -3.680 1.00 0.00 H new ATOM 0 HA ARG A 22 -7.921 -9.097 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -8.817 -11.584 -5.571 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -10.015 -10.725 -6.519 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -8.464 -10.955 -8.178 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -7.792 -9.501 -7.467 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.904 -12.369 -6.974 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.997 -11.106 -7.782 1.00 0.00 H new ATOM 0 HE ARG A 22 -5.779 -9.949 -5.593 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -6.942 -13.292 -5.545 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.337 -13.603 -3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.981 -10.374 -3.502 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.233 -11.959 -2.764 1.00 0.00 H new ATOM 352 N ASP A 23 -11.167 -8.615 -5.559 1.00 0.00 N ATOM 353 CA ASP A 23 -12.181 -7.644 -5.983 1.00 0.00 C ATOM 354 C ASP A 23 -12.235 -6.453 -5.015 1.00 0.00 C ATOM 355 O ASP A 23 -12.689 -5.366 -5.369 1.00 0.00 O ATOM 356 CB ASP A 23 -13.548 -8.340 -6.072 1.00 0.00 C ATOM 357 CG ASP A 23 -14.664 -7.435 -6.579 1.00 0.00 C ATOM 358 OD1 ASP A 23 -14.655 -7.078 -7.778 1.00 0.00 O ATOM 359 OD2 ASP A 23 -15.573 -7.109 -5.789 1.00 0.00 O ATOM 0 H ASP A 23 -11.552 -9.499 -5.226 1.00 0.00 H new ATOM 0 HA ASP A 23 -11.915 -7.256 -6.966 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -13.464 -9.203 -6.732 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -13.818 -8.718 -5.086 1.00 0.00 H new ATOM 364 N GLY A 24 -11.731 -6.668 -3.801 1.00 0.00 N ATOM 365 CA GLY A 24 -11.730 -5.626 -2.782 1.00 0.00 C ATOM 366 C GLY A 24 -10.617 -4.622 -3.005 1.00 0.00 C ATOM 367 O GLY A 24 -10.856 -3.416 -3.061 1.00 0.00 O ATOM 0 H GLY A 24 -11.320 -7.552 -3.502 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.691 -5.111 -2.788 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.618 -6.080 -1.798 1.00 0.00 H new ATOM 371 N LEU A 25 -9.400 -5.140 -3.125 1.00 0.00 N ATOM 372 CA LEU A 25 -8.222 -4.345 -3.450 1.00 0.00 C ATOM 373 C LEU A 25 -8.470 -3.498 -4.696 1.00 0.00 C ATOM 374 O LEU A 25 -8.039 -2.346 -4.770 1.00 0.00 O ATOM 375 CB LEU A 25 -7.011 -5.287 -3.630 1.00 0.00 C ATOM 376 CG LEU A 25 -5.772 -4.702 -4.344 1.00 0.00 C ATOM 377 CD1 LEU A 25 -4.484 -5.301 -3.780 1.00 0.00 C ATOM 378 CD2 LEU A 25 -5.847 -4.958 -5.851 1.00 0.00 C ATOM 0 H LEU A 25 -9.202 -6.132 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 25 -8.008 -3.655 -2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.702 -5.635 -2.644 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.342 -6.163 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.763 -3.626 -4.168 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.626 -4.873 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.414 -5.076 -2.716 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.492 -6.382 -3.922 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.965 -4.538 -6.336 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.887 -6.031 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.743 -4.487 -6.256 1.00 0.00 H new ATOM 390 N GLU A 26 -9.177 -4.075 -5.666 1.00 0.00 N ATOM 391 CA GLU A 26 -9.542 -3.353 -6.879 1.00 0.00 C ATOM 392 C GLU A 26 -10.438 -2.164 -6.527 1.00 0.00 C ATOM 393 O GLU A 26 -10.135 -1.025 -6.880 1.00 0.00 O ATOM 394 CB GLU A 26 -10.256 -4.284 -7.869 1.00 0.00 C ATOM 395 CG GLU A 26 -10.495 -3.660 -9.243 1.00 0.00 C ATOM 396 CD GLU A 26 -9.201 -3.350 -9.984 1.00 0.00 C ATOM 397 OE1 GLU A 26 -8.604 -4.284 -10.561 1.00 0.00 O ATOM 398 OE2 GLU A 26 -8.765 -2.178 -9.987 1.00 0.00 O ATOM 0 H GLU A 26 -9.507 -5.040 -5.634 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.632 -2.984 -7.353 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.664 -5.191 -7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.215 -4.583 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.099 -4.339 -9.845 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -11.070 -2.741 -9.125 1.00 0.00 H new ATOM 405 N ALA A 27 -11.523 -2.432 -5.805 1.00 0.00 N ATOM 406 CA ALA A 27 -12.460 -1.385 -5.397 1.00 0.00 C ATOM 407 C ALA A 27 -11.738 -0.272 -4.635 1.00 0.00 C ATOM 408 O ALA A 27 -11.943 0.922 -4.893 1.00 0.00 O ATOM 409 CB ALA A 27 -13.575 -1.981 -4.543 1.00 0.00 C ATOM 0 H ALA A 27 -11.777 -3.368 -5.489 1.00 0.00 H new ATOM 0 HA ALA A 27 -12.899 -0.949 -6.294 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -14.266 -1.193 -4.245 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.111 -2.735 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.145 -2.442 -3.654 1.00 0.00 H new ATOM 415 N PHE A 28 -10.870 -0.672 -3.710 1.00 0.00 N ATOM 416 CA PHE A 28 -10.128 0.282 -2.903 1.00 0.00 C ATOM 417 C PHE A 28 -9.194 1.117 -3.771 1.00 0.00 C ATOM 418 O PHE A 28 -9.118 2.334 -3.608 1.00 0.00 O ATOM 419 CB PHE A 28 -9.329 -0.424 -1.800 1.00 0.00 C ATOM 420 CG PHE A 28 -8.525 0.534 -0.951 1.00 0.00 C ATOM 421 CD1 PHE A 28 -9.162 1.421 -0.092 1.00 0.00 C ATOM 422 CD2 PHE A 28 -7.138 0.562 -1.024 1.00 0.00 C ATOM 423 CE1 PHE A 28 -8.433 2.313 0.673 1.00 0.00 C ATOM 424 CE2 PHE A 28 -6.406 1.450 -0.258 1.00 0.00 C ATOM 425 CZ PHE A 28 -7.056 2.327 0.590 1.00 0.00 C ATOM 0 H PHE A 28 -10.666 -1.650 -3.503 1.00 0.00 H new ATOM 0 HA PHE A 28 -10.853 0.944 -2.431 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -10.015 -0.980 -1.161 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -8.656 -1.151 -2.255 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.240 1.414 -0.021 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -6.625 -0.119 -1.688 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -8.941 2.998 1.335 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -5.328 1.459 -0.322 1.00 0.00 H new ATOM 0 HZ PHE A 28 -6.486 3.023 1.187 1.00 0.00 H new ATOM 435 N THR A 29 -8.489 0.471 -4.699 1.00 0.00 N ATOM 436 CA THR A 29 -7.539 1.183 -5.543 1.00 0.00 C ATOM 437 C THR A 29 -8.281 2.147 -6.471 1.00 0.00 C ATOM 438 O THR A 29 -7.740 3.183 -6.853 1.00 0.00 O ATOM 439 CB THR A 29 -6.623 0.223 -6.355 1.00 0.00 C ATOM 440 OG1 THR A 29 -5.451 0.920 -6.799 1.00 0.00 O ATOM 441 CG2 THR A 29 -7.335 -0.365 -7.567 1.00 0.00 C ATOM 0 H THR A 29 -8.558 -0.530 -4.882 1.00 0.00 H new ATOM 0 HA THR A 29 -6.882 1.753 -4.886 1.00 0.00 H new ATOM 0 HB THR A 29 -6.350 -0.596 -5.689 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.748 0.273 -7.017 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.655 -1.028 -8.102 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.208 -0.929 -7.238 1.00 0.00 H new ATOM 0 HG23 THR A 29 -7.652 0.441 -8.229 1.00 0.00 H new ATOM 449 N ARG A 30 -9.539 1.821 -6.806 1.00 0.00 N ATOM 450 CA ARG A 30 -10.389 2.739 -7.568 1.00 0.00 C ATOM 451 C ARG A 30 -10.454 4.076 -6.843 1.00 0.00 C ATOM 452 O ARG A 30 -10.173 5.134 -7.416 1.00 0.00 O ATOM 453 CB ARG A 30 -11.823 2.199 -7.720 1.00 0.00 C ATOM 454 CG ARG A 30 -11.935 0.840 -8.399 1.00 0.00 C ATOM 455 CD ARG A 30 -11.429 0.863 -9.832 1.00 0.00 C ATOM 456 NE ARG A 30 -11.682 -0.408 -10.511 1.00 0.00 N ATOM 457 CZ ARG A 30 -11.506 -0.613 -11.815 1.00 0.00 C ATOM 458 NH1 ARG A 30 -11.066 0.367 -12.595 1.00 0.00 N ATOM 459 NH2 ARG A 30 -11.778 -1.801 -12.339 1.00 0.00 N ATOM 0 H ARG A 30 -9.984 0.936 -6.562 1.00 0.00 H new ATOM 0 HA ARG A 30 -9.953 2.849 -8.561 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.276 2.132 -6.731 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.408 2.921 -8.290 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -11.368 0.104 -7.828 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -12.976 0.517 -8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.916 1.671 -10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.359 1.073 -9.838 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.016 -1.190 -9.947 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -10.861 1.283 -12.196 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -10.933 0.204 -13.593 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -12.121 -2.555 -11.743 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -11.644 -1.961 -13.337 1.00 0.00 H new ATOM 473 N PHE A 31 -10.811 4.000 -5.564 1.00 0.00 N ATOM 474 CA PHE A 31 -10.943 5.181 -4.721 1.00 0.00 C ATOM 475 C PHE A 31 -9.577 5.826 -4.464 1.00 0.00 C ATOM 476 O PHE A 31 -9.415 7.037 -4.590 1.00 0.00 O ATOM 477 CB PHE A 31 -11.612 4.791 -3.394 1.00 0.00 C ATOM 478 CG PHE A 31 -11.845 5.948 -2.455 1.00 0.00 C ATOM 479 CD1 PHE A 31 -12.841 6.881 -2.713 1.00 0.00 C ATOM 480 CD2 PHE A 31 -11.071 6.102 -1.312 1.00 0.00 C ATOM 481 CE1 PHE A 31 -13.059 7.940 -1.853 1.00 0.00 C ATOM 482 CE2 PHE A 31 -11.287 7.159 -0.451 1.00 0.00 C ATOM 483 CZ PHE A 31 -12.281 8.079 -0.720 1.00 0.00 C ATOM 0 H PHE A 31 -11.016 3.122 -5.086 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.565 5.913 -5.236 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -12.568 4.314 -3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -10.991 4.049 -2.891 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -13.453 6.777 -3.597 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -10.292 5.387 -1.095 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -13.837 8.658 -2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -10.678 7.267 0.434 1.00 0.00 H new ATOM 0 HZ PHE A 31 -12.450 8.906 -0.046 1.00 0.00 H new ATOM 493 N LEU A 32 -8.591 5.004 -4.136 1.00 0.00 N ATOM 494 CA LEU A 32 -7.264 5.491 -3.767 1.00 0.00 C ATOM 495 C LEU A 32 -6.595 6.220 -4.940 1.00 0.00 C ATOM 496 O LEU A 32 -5.798 7.144 -4.744 1.00 0.00 O ATOM 497 CB LEU A 32 -6.390 4.321 -3.289 1.00 0.00 C ATOM 498 CG LEU A 32 -5.092 4.718 -2.566 1.00 0.00 C ATOM 499 CD1 LEU A 32 -5.397 5.502 -1.291 1.00 0.00 C ATOM 500 CD2 LEU A 32 -4.249 3.486 -2.249 1.00 0.00 C ATOM 0 H LEU A 32 -8.684 3.988 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.375 6.206 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.982 3.697 -2.619 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -6.132 3.707 -4.152 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.519 5.362 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.463 5.771 -0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.948 6.408 -1.544 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.997 4.887 -0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.336 3.792 -1.738 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.816 2.812 -1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.992 2.973 -3.176 1.00 0.00 H new ATOM 512 N LYS A 33 -6.932 5.809 -6.162 1.00 0.00 N ATOM 513 CA LYS A 33 -6.379 6.429 -7.368 1.00 0.00 C ATOM 514 C LYS A 33 -7.108 7.729 -7.717 1.00 0.00 C ATOM 515 O LYS A 33 -6.668 8.473 -8.598 1.00 0.00 O ATOM 516 CB LYS A 33 -6.437 5.453 -8.556 1.00 0.00 C ATOM 517 CG LYS A 33 -5.442 4.297 -8.452 1.00 0.00 C ATOM 518 CD LYS A 33 -5.591 3.306 -9.605 1.00 0.00 C ATOM 519 CE LYS A 33 -4.533 2.204 -9.549 1.00 0.00 C ATOM 520 NZ LYS A 33 -3.162 2.730 -9.783 1.00 0.00 N ATOM 0 H LYS A 33 -7.586 5.048 -6.344 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.337 6.673 -7.162 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.446 5.047 -8.632 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.245 6.004 -9.477 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.426 4.693 -8.444 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.589 3.776 -7.506 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.584 2.858 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.512 3.838 -10.553 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.571 1.715 -8.576 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.762 1.445 -10.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -2.804 2.374 -10.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.188 3.769 -9.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.534 2.415 -9.016 1.00 0.00 H new ATOM 534 N THR A 34 -8.223 8.003 -7.037 1.00 0.00 N ATOM 535 CA THR A 34 -8.968 9.243 -7.266 1.00 0.00 C ATOM 536 C THR A 34 -8.355 10.376 -6.437 1.00 0.00 C ATOM 537 O THR A 34 -8.425 11.547 -6.816 1.00 0.00 O ATOM 538 CB THR A 34 -10.488 9.087 -6.941 1.00 0.00 C ATOM 539 OG1 THR A 34 -11.267 9.918 -7.817 1.00 0.00 O ATOM 540 CG2 THR A 34 -10.812 9.464 -5.494 1.00 0.00 C ATOM 0 H THR A 34 -8.627 7.390 -6.330 1.00 0.00 H new ATOM 0 HA THR A 34 -8.893 9.485 -8.326 1.00 0.00 H new ATOM 0 HB THR A 34 -10.737 8.036 -7.087 1.00 0.00 H new ATOM 0 HG1 THR A 34 -12.219 9.813 -7.607 1.00 0.00 H new ATOM 0 HG21 THR A 34 -11.880 9.339 -5.316 1.00 0.00 H new ATOM 0 HG22 THR A 34 -10.253 8.819 -4.816 1.00 0.00 H new ATOM 0 HG23 THR A 34 -10.534 10.503 -5.318 1.00 0.00 H new ATOM 548 N GLU A 35 -7.744 10.012 -5.307 1.00 0.00 N ATOM 549 CA GLU A 35 -7.077 10.980 -4.433 1.00 0.00 C ATOM 550 C GLU A 35 -5.570 10.995 -4.693 1.00 0.00 C ATOM 551 O GLU A 35 -4.815 11.680 -3.997 1.00 0.00 O ATOM 552 CB GLU A 35 -7.365 10.659 -2.959 1.00 0.00 C ATOM 553 CG GLU A 35 -6.979 9.245 -2.537 1.00 0.00 C ATOM 554 CD GLU A 35 -7.213 8.997 -1.055 1.00 0.00 C ATOM 555 OE1 GLU A 35 -8.349 8.642 -0.679 1.00 0.00 O ATOM 556 OE2 GLU A 35 -6.266 9.171 -0.263 1.00 0.00 O ATOM 0 H GLU A 35 -7.697 9.049 -4.975 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.472 11.971 -4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.828 11.372 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.428 10.805 -2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.555 8.525 -3.118 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.928 9.074 -2.770 1.00 0.00 H new ATOM 563 N PHE A 36 -5.147 10.228 -5.701 1.00 0.00 N ATOM 564 CA PHE A 36 -3.747 10.189 -6.141 1.00 0.00 C ATOM 565 C PHE A 36 -2.826 9.611 -5.060 1.00 0.00 C ATOM 566 O PHE A 36 -1.608 9.778 -5.123 1.00 0.00 O ATOM 567 CB PHE A 36 -3.266 11.593 -6.550 1.00 0.00 C ATOM 568 CG PHE A 36 -4.093 12.233 -7.642 1.00 0.00 C ATOM 569 CD1 PHE A 36 -3.909 11.880 -8.970 1.00 0.00 C ATOM 570 CD2 PHE A 36 -5.054 13.190 -7.337 1.00 0.00 C ATOM 571 CE1 PHE A 36 -4.664 12.464 -9.970 1.00 0.00 C ATOM 572 CE2 PHE A 36 -5.811 13.777 -8.333 1.00 0.00 C ATOM 573 CZ PHE A 36 -5.616 13.414 -9.651 1.00 0.00 C ATOM 0 H PHE A 36 -5.764 9.616 -6.236 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.699 9.530 -7.008 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.278 12.240 -5.673 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.230 11.528 -6.884 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.166 11.139 -9.227 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.211 13.479 -6.308 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.510 12.178 -11.000 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.554 14.519 -8.081 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.206 13.872 -10.431 1.00 0.00 H new ATOM 583 N SER A 37 -3.403 8.909 -4.088 1.00 0.00 N ATOM 584 CA SER A 37 -2.626 8.309 -3.001 1.00 0.00 C ATOM 585 C SER A 37 -2.336 6.833 -3.295 1.00 0.00 C ATOM 586 O SER A 37 -1.926 6.077 -2.411 1.00 0.00 O ATOM 587 CB SER A 37 -3.378 8.453 -1.675 1.00 0.00 C ATOM 588 OG SER A 37 -3.696 9.812 -1.409 1.00 0.00 O ATOM 0 H SER A 37 -4.407 8.740 -4.029 1.00 0.00 H new ATOM 0 HA SER A 37 -1.674 8.834 -2.923 1.00 0.00 H new ATOM 0 HB2 SER A 37 -4.293 7.862 -1.707 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.769 8.054 -0.864 1.00 0.00 H new ATOM 0 HG SER A 37 -4.581 9.865 -0.993 1.00 0.00 H new ATOM 594 N GLU A 38 -2.538 6.444 -4.554 1.00 0.00 N ATOM 595 CA GLU A 38 -2.318 5.065 -5.005 1.00 0.00 C ATOM 596 C GLU A 38 -0.892 4.601 -4.702 1.00 0.00 C ATOM 597 O GLU A 38 -0.633 3.401 -4.576 1.00 0.00 O ATOM 598 CB GLU A 38 -2.609 4.963 -6.508 1.00 0.00 C ATOM 599 CG GLU A 38 -1.777 5.915 -7.362 1.00 0.00 C ATOM 600 CD GLU A 38 -2.245 5.975 -8.805 1.00 0.00 C ATOM 601 OE1 GLU A 38 -1.923 5.052 -9.581 1.00 0.00 O ATOM 602 OE2 GLU A 38 -2.945 6.943 -9.168 1.00 0.00 O ATOM 0 H GLU A 38 -2.858 7.073 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.998 4.410 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.424 3.940 -6.836 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.666 5.166 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.820 6.915 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.734 5.601 -7.336 1.00 0.00 H new ATOM 609 N GLU A 39 0.016 5.568 -4.581 1.00 0.00 N ATOM 610 CA GLU A 39 1.410 5.311 -4.224 1.00 0.00 C ATOM 611 C GLU A 39 1.521 4.334 -3.052 1.00 0.00 C ATOM 612 O GLU A 39 2.334 3.418 -3.083 1.00 0.00 O ATOM 613 CB GLU A 39 2.091 6.636 -3.861 1.00 0.00 C ATOM 614 CG GLU A 39 3.525 6.498 -3.361 1.00 0.00 C ATOM 615 CD GLU A 39 4.116 7.832 -2.937 1.00 0.00 C ATOM 616 OE1 GLU A 39 3.691 8.364 -1.884 1.00 0.00 O ATOM 617 OE2 GLU A 39 4.980 8.365 -3.663 1.00 0.00 O ATOM 0 H GLU A 39 -0.195 6.555 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 39 1.905 4.857 -5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.087 7.283 -4.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.499 7.135 -3.094 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.549 5.808 -2.518 1.00 0.00 H new ATOM 0 HG3 GLU A 39 4.142 6.063 -4.147 1.00 0.00 H new ATOM 624 N ASN A 40 0.685 4.529 -2.034 1.00 0.00 N ATOM 625 CA ASN A 40 0.746 3.734 -0.802 1.00 0.00 C ATOM 626 C ASN A 40 0.591 2.234 -1.078 1.00 0.00 C ATOM 627 O ASN A 40 1.481 1.421 -0.767 1.00 0.00 O ATOM 628 CB ASN A 40 -0.346 4.188 0.182 1.00 0.00 C ATOM 629 CG ASN A 40 -0.202 5.641 0.612 1.00 0.00 C ATOM 630 OD1 ASN A 40 0.217 6.498 -0.164 1.00 0.00 O ATOM 631 ND2 ASN A 40 -0.530 5.920 1.865 1.00 0.00 N ATOM 0 H ASN A 40 -0.050 5.236 -2.036 1.00 0.00 H new ATOM 0 HA ASN A 40 1.730 3.898 -0.363 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.323 4.048 -0.280 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -0.317 3.550 1.065 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.438 6.873 2.216 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.874 5.181 2.479 1.00 0.00 H new ATOM 638 N ILE A 41 -0.542 1.872 -1.676 1.00 0.00 N ATOM 639 CA ILE A 41 -0.864 0.473 -1.918 1.00 0.00 C ATOM 640 C ILE A 41 0.183 -0.154 -2.840 1.00 0.00 C ATOM 641 O ILE A 41 0.664 -1.258 -2.589 1.00 0.00 O ATOM 642 CB ILE A 41 -2.295 0.307 -2.513 1.00 0.00 C ATOM 643 CG1 ILE A 41 -2.704 -1.175 -2.555 1.00 0.00 C ATOM 644 CG2 ILE A 41 -2.396 0.933 -3.904 1.00 0.00 C ATOM 645 CD1 ILE A 41 -4.103 -1.411 -3.090 1.00 0.00 C ATOM 0 H ILE A 41 -1.250 2.530 -2.001 1.00 0.00 H new ATOM 0 HA ILE A 41 -0.849 -0.047 -0.960 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.987 0.835 -1.857 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -1.992 -1.721 -3.174 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -2.635 -1.589 -1.549 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.406 0.800 -4.290 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.169 1.997 -3.841 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.685 0.449 -4.573 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.318 -2.480 -3.089 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -4.826 -0.895 -2.458 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.172 -1.028 -4.108 1.00 0.00 H new ATOM 657 N GLU A 42 0.574 0.588 -3.873 1.00 0.00 N ATOM 658 CA GLU A 42 1.550 0.108 -4.847 1.00 0.00 C ATOM 659 C GLU A 42 2.976 0.225 -4.301 1.00 0.00 C ATOM 660 O GLU A 42 3.922 -0.299 -4.894 1.00 0.00 O ATOM 661 CB GLU A 42 1.391 0.878 -6.167 1.00 0.00 C ATOM 662 CG GLU A 42 0.056 0.604 -6.859 1.00 0.00 C ATOM 663 CD GLU A 42 -0.151 1.428 -8.121 1.00 0.00 C ATOM 664 OE1 GLU A 42 0.637 1.271 -9.079 1.00 0.00 O ATOM 665 OE2 GLU A 42 -1.116 2.220 -8.177 1.00 0.00 O ATOM 0 H GLU A 42 0.227 1.529 -4.057 1.00 0.00 H new ATOM 0 HA GLU A 42 1.364 -0.949 -5.039 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.480 1.947 -5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.205 0.608 -6.840 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.003 -0.455 -7.112 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.756 0.811 -6.162 1.00 0.00 H new ATOM 672 N PHE A 43 3.120 0.910 -3.168 1.00 0.00 N ATOM 673 CA PHE A 43 4.405 1.017 -2.481 1.00 0.00 C ATOM 674 C PHE A 43 4.806 -0.341 -1.929 1.00 0.00 C ATOM 675 O PHE A 43 5.855 -0.886 -2.289 1.00 0.00 O ATOM 676 CB PHE A 43 4.339 2.054 -1.343 1.00 0.00 C ATOM 677 CG PHE A 43 5.570 2.098 -0.464 1.00 0.00 C ATOM 678 CD1 PHE A 43 6.677 2.848 -0.831 1.00 0.00 C ATOM 679 CD2 PHE A 43 5.616 1.388 0.730 1.00 0.00 C ATOM 680 CE1 PHE A 43 7.803 2.888 -0.029 1.00 0.00 C ATOM 681 CE2 PHE A 43 6.740 1.424 1.533 1.00 0.00 C ATOM 682 CZ PHE A 43 7.835 2.176 1.153 1.00 0.00 C ATOM 0 H PHE A 43 2.357 1.402 -2.704 1.00 0.00 H new ATOM 0 HA PHE A 43 5.154 1.351 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 43 4.182 3.042 -1.777 1.00 0.00 H new ATOM 0 HB3 PHE A 43 3.471 1.837 -0.721 1.00 0.00 H new ATOM 0 HD1 PHE A 43 6.660 3.408 -1.754 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.762 0.801 1.034 1.00 0.00 H new ATOM 0 HE1 PHE A 43 8.658 3.477 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.763 0.865 2.457 1.00 0.00 H new ATOM 0 HZ PHE A 43 8.714 2.207 1.780 1.00 0.00 H new ATOM 692 N TRP A 44 3.966 -0.905 -1.060 1.00 0.00 N ATOM 693 CA TRP A 44 4.294 -2.201 -0.465 1.00 0.00 C ATOM 694 C TRP A 44 4.067 -3.343 -1.455 1.00 0.00 C ATOM 695 O TRP A 44 4.618 -4.432 -1.286 1.00 0.00 O ATOM 696 CB TRP A 44 3.566 -2.445 0.868 1.00 0.00 C ATOM 697 CG TRP A 44 2.100 -2.140 0.878 1.00 0.00 C ATOM 698 CD1 TRP A 44 1.505 -1.032 1.406 1.00 0.00 C ATOM 699 CD2 TRP A 44 1.044 -2.962 0.367 1.00 0.00 C ATOM 700 NE1 TRP A 44 0.146 -1.115 1.262 1.00 0.00 N ATOM 701 CE2 TRP A 44 -0.163 -2.286 0.621 1.00 0.00 C ATOM 702 CE3 TRP A 44 0.999 -4.202 -0.280 1.00 0.00 C ATOM 703 CZ2 TRP A 44 -1.396 -2.807 0.247 1.00 0.00 C ATOM 704 CZ3 TRP A 44 -0.228 -4.717 -0.650 1.00 0.00 C ATOM 705 CH2 TRP A 44 -1.411 -4.021 -0.385 1.00 0.00 C ATOM 0 H TRP A 44 3.079 -0.500 -0.759 1.00 0.00 H new ATOM 0 HA TRP A 44 5.358 -2.176 -0.229 1.00 0.00 H new ATOM 0 HB2 TRP A 44 3.702 -3.490 1.148 1.00 0.00 H new ATOM 0 HB3 TRP A 44 4.048 -1.843 1.638 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.029 -0.210 1.870 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.527 -0.418 1.580 1.00 0.00 H new ATOM 0 HE3 TRP A 44 1.908 -4.747 -0.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.312 -2.272 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.274 -5.672 -1.152 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -2.356 -4.450 -0.685 1.00 0.00 H new ATOM 716 N ILE A 45 3.276 -3.096 -2.502 1.00 0.00 N ATOM 717 CA ILE A 45 3.176 -4.049 -3.611 1.00 0.00 C ATOM 718 C ILE A 45 4.541 -4.187 -4.290 1.00 0.00 C ATOM 719 O ILE A 45 4.955 -5.288 -4.661 1.00 0.00 O ATOM 720 CB ILE A 45 2.098 -3.628 -4.653 1.00 0.00 C ATOM 721 CG1 ILE A 45 0.687 -3.832 -4.074 1.00 0.00 C ATOM 722 CG2 ILE A 45 2.255 -4.404 -5.964 1.00 0.00 C ATOM 723 CD1 ILE A 45 -0.434 -3.396 -4.999 1.00 0.00 C ATOM 0 H ILE A 45 2.704 -2.258 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 45 2.866 -5.010 -3.199 1.00 0.00 H new ATOM 0 HB ILE A 45 2.240 -2.570 -4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 45 0.554 -4.887 -3.833 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.607 -3.279 -3.138 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.487 -4.086 -6.669 1.00 0.00 H new ATOM 0 HG22 ILE A 45 3.240 -4.208 -6.387 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.150 -5.471 -5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.395 -3.574 -4.515 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.330 -2.334 -5.221 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.384 -3.967 -5.926 1.00 0.00 H new ATOM 735 N ALA A 46 5.245 -3.063 -4.428 1.00 0.00 N ATOM 736 CA ALA A 46 6.603 -3.066 -4.968 1.00 0.00 C ATOM 737 C ALA A 46 7.544 -3.815 -4.026 1.00 0.00 C ATOM 738 O ALA A 46 8.461 -4.513 -4.466 1.00 0.00 O ATOM 739 CB ALA A 46 7.090 -1.636 -5.196 1.00 0.00 C ATOM 0 H ALA A 46 4.896 -2.139 -4.173 1.00 0.00 H new ATOM 0 HA ALA A 46 6.597 -3.580 -5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.103 -1.656 -5.598 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.429 -1.135 -5.903 1.00 0.00 H new ATOM 0 HB3 ALA A 46 7.086 -1.095 -4.250 1.00 0.00 H new ATOM 745 N CYS A 47 7.293 -3.677 -2.724 1.00 0.00 N ATOM 746 CA CYS A 47 8.068 -4.384 -1.707 1.00 0.00 C ATOM 747 C CYS A 47 7.871 -5.895 -1.844 1.00 0.00 C ATOM 748 O CYS A 47 8.787 -6.681 -1.581 1.00 0.00 O ATOM 749 CB CYS A 47 7.665 -3.914 -0.305 1.00 0.00 C ATOM 750 SG CYS A 47 7.872 -2.137 -0.040 1.00 0.00 S ATOM 0 H CYS A 47 6.556 -3.080 -2.349 1.00 0.00 H new ATOM 0 HA CYS A 47 9.124 -4.158 -1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 47 6.622 -4.178 -0.130 1.00 0.00 H new ATOM 0 HB3 CYS A 47 8.259 -4.453 0.433 1.00 0.00 H new ATOM 0 HG CYS A 47 7.171 -1.483 -0.918 1.00 0.00 H new ATOM 756 N GLU A 48 6.670 -6.297 -2.256 1.00 0.00 N ATOM 757 CA GLU A 48 6.393 -7.696 -2.564 1.00 0.00 C ATOM 758 C GLU A 48 7.193 -8.116 -3.792 1.00 0.00 C ATOM 759 O GLU A 48 7.949 -9.089 -3.754 1.00 0.00 O ATOM 760 CB GLU A 48 4.890 -7.912 -2.797 1.00 0.00 C ATOM 761 CG GLU A 48 4.040 -7.698 -1.548 1.00 0.00 C ATOM 762 CD GLU A 48 4.314 -8.736 -0.468 1.00 0.00 C ATOM 763 OE1 GLU A 48 5.300 -8.584 0.282 1.00 0.00 O ATOM 764 OE2 GLU A 48 3.541 -9.716 -0.367 1.00 0.00 O ATOM 0 H GLU A 48 5.874 -5.672 -2.384 1.00 0.00 H new ATOM 0 HA GLU A 48 6.693 -8.313 -1.717 1.00 0.00 H new ATOM 0 HB2 GLU A 48 4.551 -7.231 -3.578 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.730 -8.925 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 48 4.233 -6.703 -1.148 1.00 0.00 H new ATOM 0 HG3 GLU A 48 2.985 -7.732 -1.821 1.00 0.00 H new ATOM 771 N ASP A 49 7.059 -7.349 -4.871 1.00 0.00 N ATOM 772 CA ASP A 49 7.800 -7.620 -6.103 1.00 0.00 C ATOM 773 C ASP A 49 9.296 -7.727 -5.810 1.00 0.00 C ATOM 774 O ASP A 49 10.041 -8.405 -6.519 1.00 0.00 O ATOM 775 CB ASP A 49 7.539 -6.517 -7.140 1.00 0.00 C ATOM 776 CG ASP A 49 8.160 -6.825 -8.495 1.00 0.00 C ATOM 777 OD1 ASP A 49 7.670 -7.748 -9.180 1.00 0.00 O ATOM 778 OD2 ASP A 49 9.127 -6.135 -8.892 1.00 0.00 O ATOM 0 H ASP A 49 6.445 -6.536 -4.919 1.00 0.00 H new ATOM 0 HA ASP A 49 7.455 -8.570 -6.512 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.464 -6.384 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 49 7.938 -5.573 -6.768 1.00 0.00 H new ATOM 783 N PHE A 50 9.714 -7.059 -4.741 1.00 0.00 N ATOM 784 CA PHE A 50 11.096 -7.096 -4.288 1.00 0.00 C ATOM 785 C PHE A 50 11.427 -8.434 -3.615 1.00 0.00 C ATOM 786 O PHE A 50 12.495 -8.994 -3.844 1.00 0.00 O ATOM 787 CB PHE A 50 11.358 -5.911 -3.340 1.00 0.00 C ATOM 788 CG PHE A 50 12.754 -5.852 -2.768 1.00 0.00 C ATOM 789 CD1 PHE A 50 13.860 -5.792 -3.600 1.00 0.00 C ATOM 790 CD2 PHE A 50 12.955 -5.854 -1.395 1.00 0.00 C ATOM 791 CE1 PHE A 50 15.137 -5.738 -3.079 1.00 0.00 C ATOM 792 CE2 PHE A 50 14.231 -5.799 -0.869 1.00 0.00 C ATOM 793 CZ PHE A 50 15.323 -5.742 -1.711 1.00 0.00 C ATOM 0 H PHE A 50 9.104 -6.478 -4.166 1.00 0.00 H new ATOM 0 HA PHE A 50 11.753 -7.006 -5.153 1.00 0.00 H new ATOM 0 HB2 PHE A 50 11.162 -4.984 -3.878 1.00 0.00 H new ATOM 0 HB3 PHE A 50 10.645 -5.959 -2.517 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.721 -5.787 -4.671 1.00 0.00 H new ATOM 0 HD2 PHE A 50 12.105 -5.899 -0.731 1.00 0.00 H new ATOM 0 HE1 PHE A 50 15.989 -5.693 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 50 14.374 -5.801 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 50 16.321 -5.701 -1.301 1.00 0.00 H new ATOM 803 N LYS A 51 10.503 -8.972 -2.813 1.00 0.00 N ATOM 804 CA LYS A 51 10.761 -10.234 -2.103 1.00 0.00 C ATOM 805 C LYS A 51 10.875 -11.399 -3.090 1.00 0.00 C ATOM 806 O LYS A 51 11.400 -12.466 -2.754 1.00 0.00 O ATOM 807 CB LYS A 51 9.672 -10.532 -1.049 1.00 0.00 C ATOM 808 CG LYS A 51 8.359 -11.058 -1.624 1.00 0.00 C ATOM 809 CD LYS A 51 7.322 -11.341 -0.538 1.00 0.00 C ATOM 810 CE LYS A 51 6.031 -11.901 -1.129 1.00 0.00 C ATOM 811 NZ LYS A 51 4.993 -12.133 -0.090 1.00 0.00 N ATOM 0 H LYS A 51 9.584 -8.564 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 51 11.710 -10.121 -1.579 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.061 -11.262 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 51 9.468 -9.620 -0.488 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.955 -10.330 -2.327 1.00 0.00 H new ATOM 0 HG3 LYS A 51 8.551 -11.972 -2.186 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.731 -12.050 0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.105 -10.423 0.008 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.645 -11.209 -1.877 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.245 -12.838 -1.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.460 -12.996 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 5.449 -12.243 0.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.343 -11.322 -0.062 1.00 0.00 H new ATOM 825 N LYS A 52 10.371 -11.191 -4.307 1.00 0.00 N ATOM 826 CA LYS A 52 10.458 -12.211 -5.357 1.00 0.00 C ATOM 827 C LYS A 52 11.880 -12.348 -5.901 1.00 0.00 C ATOM 828 O LYS A 52 12.253 -13.417 -6.387 1.00 0.00 O ATOM 829 CB LYS A 52 9.500 -11.911 -6.525 1.00 0.00 C ATOM 830 CG LYS A 52 8.054 -12.340 -6.288 1.00 0.00 C ATOM 831 CD LYS A 52 7.372 -11.503 -5.217 1.00 0.00 C ATOM 832 CE LYS A 52 5.921 -11.913 -5.013 1.00 0.00 C ATOM 833 NZ LYS A 52 5.137 -11.847 -6.275 1.00 0.00 N ATOM 0 H LYS A 52 9.901 -10.332 -4.591 1.00 0.00 H new ATOM 0 HA LYS A 52 10.166 -13.151 -4.889 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.519 -10.840 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 52 9.871 -12.411 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.496 -12.258 -7.220 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.032 -13.390 -5.995 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.914 -11.606 -4.277 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.416 -10.450 -5.497 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.884 -12.928 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.463 -11.263 -4.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.122 -11.900 -6.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 5.340 -10.951 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 5.401 -12.643 -6.890 1.00 0.00 H new ATOM 847 N SER A 53 12.669 -11.274 -5.833 1.00 0.00 N ATOM 848 CA SER A 53 14.022 -11.304 -6.382 1.00 0.00 C ATOM 849 C SER A 53 14.854 -12.391 -5.694 1.00 0.00 C ATOM 850 O SER A 53 14.959 -12.431 -4.465 1.00 0.00 O ATOM 851 CB SER A 53 14.694 -9.926 -6.264 1.00 0.00 C ATOM 852 OG SER A 53 14.734 -9.472 -4.925 1.00 0.00 O ATOM 0 H SER A 53 12.398 -10.386 -5.410 1.00 0.00 H new ATOM 0 HA SER A 53 13.959 -11.548 -7.443 1.00 0.00 H new ATOM 0 HB2 SER A 53 15.708 -9.982 -6.659 1.00 0.00 H new ATOM 0 HB3 SER A 53 14.153 -9.204 -6.876 1.00 0.00 H new ATOM 0 HG SER A 53 13.911 -8.979 -4.722 1.00 0.00 H new ATOM 858 N LYS A 54 15.405 -13.298 -6.496 1.00 0.00 N ATOM 859 CA LYS A 54 16.187 -14.419 -5.982 1.00 0.00 C ATOM 860 C LYS A 54 17.680 -14.178 -6.191 1.00 0.00 C ATOM 861 O LYS A 54 18.520 -14.865 -5.605 1.00 0.00 O ATOM 862 CB LYS A 54 15.731 -15.735 -6.651 1.00 0.00 C ATOM 863 CG LYS A 54 15.657 -15.693 -8.185 1.00 0.00 C ATOM 864 CD LYS A 54 17.031 -15.802 -8.849 1.00 0.00 C ATOM 865 CE LYS A 54 16.945 -15.684 -10.369 1.00 0.00 C ATOM 866 NZ LYS A 54 18.275 -15.855 -11.013 1.00 0.00 N ATOM 0 H LYS A 54 15.323 -13.278 -7.513 1.00 0.00 H new ATOM 0 HA LYS A 54 16.016 -14.505 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 54 16.416 -16.530 -6.357 1.00 0.00 H new ATOM 0 HB3 LYS A 54 14.748 -16.001 -6.262 1.00 0.00 H new ATOM 0 HG2 LYS A 54 15.024 -16.508 -8.536 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.181 -14.763 -8.496 1.00 0.00 H new ATOM 0 HD2 LYS A 54 17.684 -15.020 -8.461 1.00 0.00 H new ATOM 0 HD3 LYS A 54 17.486 -16.757 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 54 16.256 -16.436 -10.753 1.00 0.00 H new ATOM 0 HE3 LYS A 54 16.535 -14.710 -10.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 18.175 -15.768 -12.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 18.926 -15.122 -10.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 18.655 -16.794 -10.780 1.00 0.00 H new ATOM 880 N GLY A 55 17.999 -13.196 -7.030 1.00 0.00 N ATOM 881 CA GLY A 55 19.381 -12.881 -7.328 1.00 0.00 C ATOM 882 C GLY A 55 19.997 -11.972 -6.279 1.00 0.00 C ATOM 883 O GLY A 55 19.518 -10.855 -6.078 1.00 0.00 O ATOM 0 H GLY A 55 17.317 -12.610 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 55 19.957 -13.804 -7.391 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.441 -12.400 -8.304 1.00 0.00 H new ATOM 887 N PRO A 56 21.065 -12.422 -5.591 1.00 0.00 N ATOM 888 CA PRO A 56 21.753 -11.617 -4.566 1.00 0.00 C ATOM 889 C PRO A 56 22.165 -10.244 -5.097 1.00 0.00 C ATOM 890 O PRO A 56 22.159 -9.248 -4.370 1.00 0.00 O ATOM 891 CB PRO A 56 22.990 -12.461 -4.227 1.00 0.00 C ATOM 892 CG PRO A 56 22.589 -13.860 -4.553 1.00 0.00 C ATOM 893 CD PRO A 56 21.685 -13.755 -5.751 1.00 0.00 C ATOM 0 HA PRO A 56 21.116 -11.410 -3.706 1.00 0.00 H new ATOM 0 HB2 PRO A 56 23.855 -12.150 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 56 23.263 -12.361 -3.176 1.00 0.00 H new ATOM 0 HG2 PRO A 56 23.461 -14.476 -4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 56 22.074 -14.326 -3.713 1.00 0.00 H new ATOM 0 HD2 PRO A 56 22.243 -13.830 -6.684 1.00 0.00 H new ATOM 0 HD3 PRO A 56 20.937 -14.548 -5.762 1.00 0.00 H new ATOM 901 N GLN A 57 22.507 -10.206 -6.381 1.00 0.00 N ATOM 902 CA GLN A 57 22.893 -8.966 -7.045 1.00 0.00 C ATOM 903 C GLN A 57 21.664 -8.081 -7.232 1.00 0.00 C ATOM 904 O GLN A 57 21.721 -6.862 -7.046 1.00 0.00 O ATOM 905 CB GLN A 57 23.542 -9.250 -8.413 1.00 0.00 C ATOM 906 CG GLN A 57 24.765 -10.169 -8.364 1.00 0.00 C ATOM 907 CD GLN A 57 24.421 -11.619 -8.052 1.00 0.00 C ATOM 908 OE1 GLN A 57 23.329 -12.097 -8.375 1.00 0.00 O ATOM 909 NE2 GLN A 57 25.346 -12.334 -7.431 1.00 0.00 N ATOM 0 H GLN A 57 22.524 -11.027 -6.986 1.00 0.00 H new ATOM 0 HA GLN A 57 23.624 -8.454 -6.419 1.00 0.00 H new ATOM 0 HB2 GLN A 57 22.795 -9.698 -9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 57 23.835 -8.302 -8.864 1.00 0.00 H new ATOM 0 HG2 GLN A 57 25.282 -10.124 -9.322 1.00 0.00 H new ATOM 0 HG3 GLN A 57 25.459 -9.798 -7.610 1.00 0.00 H new ATOM 0 HE21 GLN A 57 26.237 -11.907 -7.179 1.00 0.00 H new ATOM 0 HE22 GLN A 57 25.168 -13.312 -7.205 1.00 0.00 H new ATOM 918 N GLN A 58 20.550 -8.723 -7.578 1.00 0.00 N ATOM 919 CA GLN A 58 19.290 -8.032 -7.833 1.00 0.00 C ATOM 920 C GLN A 58 18.821 -7.307 -6.575 1.00 0.00 C ATOM 921 O GLN A 58 18.345 -6.177 -6.647 1.00 0.00 O ATOM 922 CB GLN A 58 18.222 -9.039 -8.288 1.00 0.00 C ATOM 923 CG GLN A 58 16.901 -8.406 -8.726 1.00 0.00 C ATOM 924 CD GLN A 58 17.021 -7.608 -10.015 1.00 0.00 C ATOM 925 OE1 GLN A 58 17.863 -7.902 -10.866 1.00 0.00 O ATOM 926 NE2 GLN A 58 16.167 -6.612 -10.180 1.00 0.00 N ATOM 0 H GLN A 58 20.496 -9.736 -7.689 1.00 0.00 H new ATOM 0 HA GLN A 58 19.446 -7.298 -8.623 1.00 0.00 H new ATOM 0 HB2 GLN A 58 18.622 -9.625 -9.116 1.00 0.00 H new ATOM 0 HB3 GLN A 58 18.025 -9.734 -7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 58 16.156 -9.190 -8.859 1.00 0.00 H new ATOM 0 HG3 GLN A 58 16.538 -7.752 -7.933 1.00 0.00 H new ATOM 0 HE21 GLN A 58 15.485 -6.400 -9.452 1.00 0.00 H new ATOM 0 HE22 GLN A 58 16.191 -6.056 -11.035 1.00 0.00 H new ATOM 935 N ILE A 59 18.984 -7.967 -5.427 1.00 0.00 N ATOM 936 CA ILE A 59 18.562 -7.416 -4.138 1.00 0.00 C ATOM 937 C ILE A 59 19.078 -5.987 -3.958 1.00 0.00 C ATOM 938 O ILE A 59 18.311 -5.068 -3.670 1.00 0.00 O ATOM 939 CB ILE A 59 19.073 -8.287 -2.956 1.00 0.00 C ATOM 940 CG1 ILE A 59 18.640 -9.754 -3.129 1.00 0.00 C ATOM 941 CG2 ILE A 59 18.573 -7.732 -1.621 1.00 0.00 C ATOM 942 CD1 ILE A 59 17.139 -9.955 -3.168 1.00 0.00 C ATOM 0 H ILE A 59 19.409 -8.892 -5.364 1.00 0.00 H new ATOM 0 HA ILE A 59 17.472 -7.413 -4.135 1.00 0.00 H new ATOM 0 HB ILE A 59 20.162 -8.252 -2.956 1.00 0.00 H new ATOM 0 HG12 ILE A 59 19.072 -10.143 -4.051 1.00 0.00 H new ATOM 0 HG13 ILE A 59 19.054 -10.343 -2.310 1.00 0.00 H new ATOM 0 HG21 ILE A 59 18.942 -8.356 -0.807 1.00 0.00 H new ATOM 0 HG22 ILE A 59 18.938 -6.713 -1.491 1.00 0.00 H new ATOM 0 HG23 ILE A 59 17.483 -7.731 -1.613 1.00 0.00 H new ATOM 0 HD11 ILE A 59 16.917 -11.015 -3.292 1.00 0.00 H new ATOM 0 HD12 ILE A 59 16.700 -9.599 -2.236 1.00 0.00 H new ATOM 0 HD13 ILE A 59 16.719 -9.396 -4.004 1.00 0.00 H new ATOM 954 N HIS A 60 20.379 -5.814 -4.165 1.00 0.00 N ATOM 955 CA HIS A 60 21.033 -4.526 -3.945 1.00 0.00 C ATOM 956 C HIS A 60 20.512 -3.456 -4.906 1.00 0.00 C ATOM 957 O HIS A 60 20.044 -2.399 -4.477 1.00 0.00 O ATOM 958 CB HIS A 60 22.558 -4.660 -4.091 1.00 0.00 C ATOM 959 CG HIS A 60 23.217 -5.424 -2.978 1.00 0.00 C ATOM 960 ND1 HIS A 60 23.421 -6.754 -2.810 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 23.781 -4.814 -1.878 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 24.100 -6.916 -1.627 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 24.305 -5.731 -1.088 1.00 0.00 N flip ATOM 0 H HIS A 60 21.005 -6.552 -4.486 1.00 0.00 H new ATOM 0 HA HIS A 60 20.796 -4.213 -2.928 1.00 0.00 H new ATOM 0 HB2 HIS A 60 22.779 -5.154 -5.037 1.00 0.00 H new ATOM 0 HB3 HIS A 60 22.996 -3.663 -4.142 1.00 0.00 H new ATOM 0 HD1 HIS A 60 23.125 -7.496 -3.444 1.00 0.00 H new ATOM 0 HD2 HIS A 60 23.792 -3.750 -1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 60 24.414 -7.860 -1.207 1.00 0.00 H new ATOM 972 N LEU A 61 20.582 -3.739 -6.204 1.00 0.00 N ATOM 973 CA LEU A 61 20.251 -2.741 -7.223 1.00 0.00 C ATOM 974 C LEU A 61 18.747 -2.454 -7.271 1.00 0.00 C ATOM 975 O LEU A 61 18.333 -1.336 -7.589 1.00 0.00 O ATOM 976 CB LEU A 61 20.794 -3.173 -8.603 1.00 0.00 C ATOM 977 CG LEU A 61 20.357 -4.561 -9.120 1.00 0.00 C ATOM 978 CD1 LEU A 61 18.960 -4.518 -9.743 1.00 0.00 C ATOM 979 CD2 LEU A 61 21.375 -5.108 -10.119 1.00 0.00 C ATOM 0 H LEU A 61 20.863 -4.646 -6.576 1.00 0.00 H new ATOM 0 HA LEU A 61 20.739 -1.806 -6.947 1.00 0.00 H new ATOM 0 HB2 LEU A 61 20.490 -2.426 -9.337 1.00 0.00 H new ATOM 0 HB3 LEU A 61 21.883 -3.154 -8.561 1.00 0.00 H new ATOM 0 HG LEU A 61 20.314 -5.233 -8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 61 18.688 -5.513 -10.095 1.00 0.00 H new ATOM 0 HD12 LEU A 61 18.238 -4.187 -8.996 1.00 0.00 H new ATOM 0 HD13 LEU A 61 18.957 -3.823 -10.583 1.00 0.00 H new ATOM 0 HD21 LEU A 61 21.049 -6.087 -10.472 1.00 0.00 H new ATOM 0 HD22 LEU A 61 21.457 -4.426 -10.965 1.00 0.00 H new ATOM 0 HD23 LEU A 61 22.346 -5.202 -9.634 1.00 0.00 H new ATOM 991 N LYS A 62 17.933 -3.452 -6.936 1.00 0.00 N ATOM 992 CA LYS A 62 16.479 -3.290 -6.949 1.00 0.00 C ATOM 993 C LYS A 62 16.044 -2.450 -5.752 1.00 0.00 C ATOM 994 O LYS A 62 15.217 -1.544 -5.880 1.00 0.00 O ATOM 995 CB LYS A 62 15.780 -4.659 -6.932 1.00 0.00 C ATOM 996 CG LYS A 62 14.274 -4.592 -7.179 1.00 0.00 C ATOM 997 CD LYS A 62 13.650 -5.985 -7.230 1.00 0.00 C ATOM 998 CE LYS A 62 12.152 -5.931 -7.514 1.00 0.00 C ATOM 999 NZ LYS A 62 11.860 -5.463 -8.895 1.00 0.00 N ATOM 0 H LYS A 62 18.252 -4.378 -6.653 1.00 0.00 H new ATOM 0 HA LYS A 62 16.190 -2.776 -7.866 1.00 0.00 H new ATOM 0 HB2 LYS A 62 16.234 -5.296 -7.691 1.00 0.00 H new ATOM 0 HB3 LYS A 62 15.959 -5.135 -5.968 1.00 0.00 H new ATOM 0 HG2 LYS A 62 13.801 -4.009 -6.389 1.00 0.00 H new ATOM 0 HG3 LYS A 62 14.081 -4.072 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 62 14.144 -6.575 -8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 62 13.821 -6.494 -6.281 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.720 -6.921 -7.369 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.671 -5.265 -6.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 10.854 -5.617 -9.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 12.079 -4.449 -8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.443 -5.995 -9.572 1.00 0.00 H new ATOM 1013 N ALA A 63 16.628 -2.745 -4.593 1.00 0.00 N ATOM 1014 CA ALA A 63 16.373 -1.970 -3.385 1.00 0.00 C ATOM 1015 C ALA A 63 16.852 -0.535 -3.568 1.00 0.00 C ATOM 1016 O ALA A 63 16.230 0.406 -3.081 1.00 0.00 O ATOM 1017 CB ALA A 63 17.058 -2.609 -2.183 1.00 0.00 C ATOM 0 H ALA A 63 17.282 -3.517 -4.467 1.00 0.00 H new ATOM 0 HA ALA A 63 15.299 -1.959 -3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.856 -2.016 -1.291 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.675 -3.620 -2.041 1.00 0.00 H new ATOM 0 HB3 ALA A 63 18.133 -2.649 -2.356 1.00 0.00 H new ATOM 1023 N LYS A 64 17.963 -0.385 -4.288 1.00 0.00 N ATOM 1024 CA LYS A 64 18.538 0.928 -4.571 1.00 0.00 C ATOM 1025 C LYS A 64 17.560 1.758 -5.408 1.00 0.00 C ATOM 1026 O LYS A 64 17.433 2.969 -5.221 1.00 0.00 O ATOM 1027 CB LYS A 64 19.889 0.761 -5.300 1.00 0.00 C ATOM 1028 CG LYS A 64 20.989 1.725 -4.842 1.00 0.00 C ATOM 1029 CD LYS A 64 20.758 3.161 -5.313 1.00 0.00 C ATOM 1030 CE LYS A 64 21.890 4.083 -4.861 1.00 0.00 C ATOM 1031 NZ LYS A 64 21.803 5.432 -5.477 1.00 0.00 N ATOM 0 H LYS A 64 18.486 -1.164 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 64 18.717 1.456 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 64 20.239 -0.261 -5.158 1.00 0.00 H new ATOM 0 HB3 LYS A 64 19.728 0.897 -6.369 1.00 0.00 H new ATOM 0 HG2 LYS A 64 21.048 1.710 -3.754 1.00 0.00 H new ATOM 0 HG3 LYS A 64 21.951 1.375 -5.218 1.00 0.00 H new ATOM 0 HD2 LYS A 64 20.682 3.181 -6.400 1.00 0.00 H new ATOM 0 HD3 LYS A 64 19.809 3.527 -4.920 1.00 0.00 H new ATOM 0 HE2 LYS A 64 21.864 4.180 -3.776 1.00 0.00 H new ATOM 0 HE3 LYS A 64 22.848 3.631 -5.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 22.712 5.924 -5.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 21.583 5.338 -6.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 21.053 5.980 -5.009 1.00 0.00 H new ATOM 1045 N ALA A 65 16.858 1.085 -6.320 1.00 0.00 N ATOM 1046 CA ALA A 65 15.850 1.734 -7.156 1.00 0.00 C ATOM 1047 C ALA A 65 14.667 2.198 -6.305 1.00 0.00 C ATOM 1048 O ALA A 65 14.311 3.379 -6.308 1.00 0.00 O ATOM 1049 CB ALA A 65 15.382 0.784 -8.253 1.00 0.00 C ATOM 0 H ALA A 65 16.970 0.087 -6.498 1.00 0.00 H new ATOM 0 HA ALA A 65 16.298 2.610 -7.625 1.00 0.00 H new ATOM 0 HB1 ALA A 65 14.631 1.280 -8.868 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.231 0.500 -8.875 1.00 0.00 H new ATOM 0 HB3 ALA A 65 14.949 -0.108 -7.801 1.00 0.00 H new ATOM 1055 N ILE A 66 14.075 1.258 -5.563 1.00 0.00 N ATOM 1056 CA ILE A 66 12.951 1.560 -4.672 1.00 0.00 C ATOM 1057 C ILE A 66 13.343 2.655 -3.678 1.00 0.00 C ATOM 1058 O ILE A 66 12.534 3.516 -3.318 1.00 0.00 O ATOM 1059 CB ILE A 66 12.497 0.294 -3.895 1.00 0.00 C ATOM 1060 CG1 ILE A 66 12.091 -0.821 -4.877 1.00 0.00 C ATOM 1061 CG2 ILE A 66 11.344 0.622 -2.944 1.00 0.00 C ATOM 1062 CD1 ILE A 66 11.682 -2.118 -4.204 1.00 0.00 C ATOM 0 H ILE A 66 14.357 0.278 -5.562 1.00 0.00 H new ATOM 0 HA ILE A 66 12.121 1.907 -5.288 1.00 0.00 H new ATOM 0 HB ILE A 66 13.337 -0.060 -3.297 1.00 0.00 H new ATOM 0 HG12 ILE A 66 11.264 -0.466 -5.492 1.00 0.00 H new ATOM 0 HG13 ILE A 66 12.925 -1.020 -5.550 1.00 0.00 H new ATOM 0 HG21 ILE A 66 11.044 -0.280 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 66 11.667 1.376 -2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 66 10.498 1.004 -3.516 1.00 0.00 H new ATOM 0 HD11 ILE A 66 11.411 -2.852 -4.963 1.00 0.00 H new ATOM 0 HD12 ILE A 66 12.514 -2.499 -3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 66 10.827 -1.936 -3.553 1.00 0.00 H new ATOM 1074 N TYR A 67 14.605 2.612 -3.261 1.00 0.00 N ATOM 1075 CA TYR A 67 15.168 3.597 -2.345 1.00 0.00 C ATOM 1076 C TYR A 67 15.000 5.007 -2.906 1.00 0.00 C ATOM 1077 O TYR A 67 14.381 5.863 -2.280 1.00 0.00 O ATOM 1078 CB TYR A 67 16.656 3.285 -2.107 1.00 0.00 C ATOM 1079 CG TYR A 67 17.378 4.255 -1.189 1.00 0.00 C ATOM 1080 CD1 TYR A 67 17.367 4.079 0.190 1.00 0.00 C ATOM 1081 CD2 TYR A 67 18.091 5.334 -1.707 1.00 0.00 C ATOM 1082 CE1 TYR A 67 18.043 4.947 1.024 1.00 0.00 C ATOM 1083 CE2 TYR A 67 18.765 6.207 -0.878 1.00 0.00 C ATOM 1084 CZ TYR A 67 18.739 6.010 0.486 1.00 0.00 C ATOM 1085 OH TYR A 67 19.417 6.875 1.315 1.00 0.00 O ATOM 0 H TYR A 67 15.267 1.891 -3.550 1.00 0.00 H new ATOM 0 HA TYR A 67 14.636 3.546 -1.395 1.00 0.00 H new ATOM 0 HB2 TYR A 67 16.739 2.282 -1.688 1.00 0.00 H new ATOM 0 HB3 TYR A 67 17.167 3.271 -3.070 1.00 0.00 H new ATOM 0 HD1 TYR A 67 16.821 3.250 0.616 1.00 0.00 H new ATOM 0 HD2 TYR A 67 18.117 5.490 -2.775 1.00 0.00 H new ATOM 0 HE1 TYR A 67 18.027 4.795 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 67 19.310 7.040 -1.296 1.00 0.00 H new ATOM 0 HH TYR A 67 19.855 7.567 0.777 1.00 0.00 H new ATOM 1095 N GLU A 68 15.521 5.229 -4.106 1.00 0.00 N ATOM 1096 CA GLU A 68 15.531 6.562 -4.706 1.00 0.00 C ATOM 1097 C GLU A 68 14.163 6.930 -5.278 1.00 0.00 C ATOM 1098 O GLU A 68 13.876 8.104 -5.519 1.00 0.00 O ATOM 1099 CB GLU A 68 16.602 6.633 -5.797 1.00 0.00 C ATOM 1100 CG GLU A 68 17.968 6.177 -5.310 1.00 0.00 C ATOM 1101 CD GLU A 68 19.064 6.383 -6.334 1.00 0.00 C ATOM 1102 OE1 GLU A 68 19.103 5.637 -7.336 1.00 0.00 O ATOM 1103 OE2 GLU A 68 19.908 7.277 -6.125 1.00 0.00 O ATOM 0 H GLU A 68 15.943 4.504 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 68 15.765 7.284 -3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.297 6.014 -6.641 1.00 0.00 H new ATOM 0 HB3 GLU A 68 16.675 7.657 -6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 68 18.223 6.721 -4.400 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.919 5.120 -5.047 1.00 0.00 H new ATOM 1110 N LYS A 69 13.325 5.923 -5.494 1.00 0.00 N ATOM 1111 CA LYS A 69 11.990 6.141 -6.041 1.00 0.00 C ATOM 1112 C LYS A 69 11.008 6.563 -4.947 1.00 0.00 C ATOM 1113 O LYS A 69 10.134 7.398 -5.182 1.00 0.00 O ATOM 1114 CB LYS A 69 11.494 4.866 -6.744 1.00 0.00 C ATOM 1115 CG LYS A 69 10.095 4.984 -7.353 1.00 0.00 C ATOM 1116 CD LYS A 69 10.012 6.091 -8.401 1.00 0.00 C ATOM 1117 CE LYS A 69 8.619 6.188 -9.014 1.00 0.00 C ATOM 1118 NZ LYS A 69 8.232 4.936 -9.720 1.00 0.00 N ATOM 0 H LYS A 69 13.546 4.947 -5.299 1.00 0.00 H new ATOM 0 HA LYS A 69 12.047 6.950 -6.770 1.00 0.00 H new ATOM 0 HB2 LYS A 69 12.199 4.602 -7.532 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.497 4.045 -6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 69 9.818 4.033 -7.809 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.372 5.181 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 69 10.275 7.045 -7.944 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.743 5.902 -9.187 1.00 0.00 H new ATOM 0 HE2 LYS A 69 7.892 6.402 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.588 7.023 -9.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.389 5.112 -10.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 9.015 4.625 -10.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.022 4.195 -9.022 1.00 0.00 H new ATOM 1132 N PHE A 70 11.162 5.994 -3.752 1.00 0.00 N ATOM 1133 CA PHE A 70 10.214 6.233 -2.659 1.00 0.00 C ATOM 1134 C PHE A 70 10.912 6.711 -1.385 1.00 0.00 C ATOM 1135 O PHE A 70 10.533 7.725 -0.801 1.00 0.00 O ATOM 1136 CB PHE A 70 9.426 4.950 -2.349 1.00 0.00 C ATOM 1137 CG PHE A 70 8.591 4.442 -3.497 1.00 0.00 C ATOM 1138 CD1 PHE A 70 7.443 5.118 -3.890 1.00 0.00 C ATOM 1139 CD2 PHE A 70 8.951 3.288 -4.181 1.00 0.00 C ATOM 1140 CE1 PHE A 70 6.674 4.652 -4.939 1.00 0.00 C ATOM 1141 CE2 PHE A 70 8.183 2.819 -5.228 1.00 0.00 C ATOM 1142 CZ PHE A 70 7.045 3.502 -5.608 1.00 0.00 C ATOM 0 H PHE A 70 11.930 5.366 -3.514 1.00 0.00 H new ATOM 0 HA PHE A 70 9.536 7.019 -2.991 1.00 0.00 H new ATOM 0 HB2 PHE A 70 10.127 4.170 -2.052 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.774 5.135 -1.495 1.00 0.00 H new ATOM 0 HD1 PHE A 70 7.148 6.018 -3.370 1.00 0.00 H new ATOM 0 HD2 PHE A 70 9.842 2.751 -3.890 1.00 0.00 H new ATOM 0 HE1 PHE A 70 5.784 5.186 -5.236 1.00 0.00 H new ATOM 0 HE2 PHE A 70 8.472 1.918 -5.749 1.00 0.00 H new ATOM 0 HZ PHE A 70 6.445 3.137 -6.428 1.00 0.00 H new ATOM 1152 N ILE A 71 11.935 5.974 -0.959 1.00 0.00 N ATOM 1153 CA ILE A 71 12.578 6.219 0.336 1.00 0.00 C ATOM 1154 C ILE A 71 13.410 7.506 0.311 1.00 0.00 C ATOM 1155 O ILE A 71 13.791 8.039 1.358 1.00 0.00 O ATOM 1156 CB ILE A 71 13.475 5.019 0.747 1.00 0.00 C ATOM 1157 CG1 ILE A 71 12.695 3.697 0.615 1.00 0.00 C ATOM 1158 CG2 ILE A 71 14.005 5.187 2.173 1.00 0.00 C ATOM 1159 CD1 ILE A 71 11.418 3.648 1.432 1.00 0.00 C ATOM 0 H ILE A 71 12.339 5.202 -1.489 1.00 0.00 H new ATOM 0 HA ILE A 71 11.785 6.335 1.075 1.00 0.00 H new ATOM 0 HB ILE A 71 14.331 4.991 0.072 1.00 0.00 H new ATOM 0 HG12 ILE A 71 12.449 3.536 -0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 71 13.341 2.874 0.921 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.629 4.332 2.432 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.596 6.100 2.236 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.167 5.248 2.868 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.928 2.685 1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 71 11.656 3.776 2.488 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.750 4.448 1.112 1.00 0.00 H new ATOM 1171 N GLN A 72 13.682 7.997 -0.895 1.00 0.00 N ATOM 1172 CA GLN A 72 14.447 9.224 -1.084 1.00 0.00 C ATOM 1173 C GLN A 72 13.737 10.384 -0.374 1.00 0.00 C ATOM 1174 O GLN A 72 12.525 10.554 -0.510 1.00 0.00 O ATOM 1175 CB GLN A 72 14.618 9.496 -2.592 1.00 0.00 C ATOM 1176 CG GLN A 72 15.836 10.346 -2.953 1.00 0.00 C ATOM 1177 CD GLN A 72 15.646 11.822 -2.663 1.00 0.00 C ATOM 1178 OE1 GLN A 72 14.544 12.339 -2.769 1.00 0.00 O ATOM 1179 NE2 GLN A 72 16.711 12.505 -2.277 1.00 0.00 N ATOM 0 H GLN A 72 13.380 7.557 -1.764 1.00 0.00 H new ATOM 0 HA GLN A 72 15.440 9.121 -0.647 1.00 0.00 H new ATOM 0 HB2 GLN A 72 14.690 8.542 -3.114 1.00 0.00 H new ATOM 0 HB3 GLN A 72 13.722 9.994 -2.962 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.701 9.983 -2.398 1.00 0.00 H new ATOM 0 HG3 GLN A 72 16.059 10.217 -4.012 1.00 0.00 H new ATOM 0 HE21 GLN A 72 17.615 12.039 -2.200 1.00 0.00 H new ATOM 0 HE22 GLN A 72 16.628 13.497 -2.056 1.00 0.00 H new ATOM 1188 N THR A 73 14.503 11.165 0.384 1.00 0.00 N ATOM 1189 CA THR A 73 13.955 12.186 1.275 1.00 0.00 C ATOM 1190 C THR A 73 13.036 13.178 0.543 1.00 0.00 C ATOM 1191 O THR A 73 12.019 13.617 1.093 1.00 0.00 O ATOM 1192 CB THR A 73 15.101 12.948 1.977 1.00 0.00 C ATOM 1193 OG1 THR A 73 16.030 12.002 2.535 1.00 0.00 O ATOM 1194 CG2 THR A 73 14.570 13.853 3.087 1.00 0.00 C ATOM 0 H THR A 73 15.521 11.108 0.398 1.00 0.00 H new ATOM 0 HA THR A 73 13.345 11.669 2.016 1.00 0.00 H new ATOM 0 HB THR A 73 15.599 13.574 1.237 1.00 0.00 H new ATOM 0 HG1 THR A 73 16.759 12.483 2.980 1.00 0.00 H new ATOM 0 HG21 THR A 73 15.402 14.374 3.560 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.879 14.582 2.663 1.00 0.00 H new ATOM 0 HG23 THR A 73 14.050 13.250 3.831 1.00 0.00 H new ATOM 1202 N ASP A 74 13.394 13.525 -0.689 1.00 0.00 N ATOM 1203 CA ASP A 74 12.593 14.446 -1.496 1.00 0.00 C ATOM 1204 C ASP A 74 11.470 13.688 -2.198 1.00 0.00 C ATOM 1205 O ASP A 74 10.294 13.882 -1.889 1.00 0.00 O ATOM 1206 CB ASP A 74 13.471 15.166 -2.535 1.00 0.00 C ATOM 1207 CG ASP A 74 14.595 15.970 -1.902 1.00 0.00 C ATOM 1208 OD1 ASP A 74 15.687 15.404 -1.670 1.00 0.00 O ATOM 1209 OD2 ASP A 74 14.391 17.173 -1.629 1.00 0.00 O ATOM 0 H ASP A 74 14.235 13.183 -1.153 1.00 0.00 H new ATOM 0 HA ASP A 74 12.159 15.194 -0.833 1.00 0.00 H new ATOM 0 HB2 ASP A 74 13.897 14.430 -3.217 1.00 0.00 H new ATOM 0 HB3 ASP A 74 12.847 15.831 -3.133 1.00 0.00 H new ATOM 1214 N ALA A 75 11.855 12.822 -3.141 1.00 0.00 N ATOM 1215 CA ALA A 75 10.914 11.993 -3.901 1.00 0.00 C ATOM 1216 C ALA A 75 9.975 12.849 -4.769 1.00 0.00 C ATOM 1217 O ALA A 75 9.763 14.030 -4.493 1.00 0.00 O ATOM 1218 CB ALA A 75 10.129 11.083 -2.955 1.00 0.00 C ATOM 0 H ALA A 75 12.831 12.676 -3.399 1.00 0.00 H new ATOM 0 HA ALA A 75 11.488 11.366 -4.583 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.434 10.472 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.820 10.435 -2.416 1.00 0.00 H new ATOM 0 HB3 ALA A 75 9.573 11.692 -2.243 1.00 0.00 H new ATOM 1224 N PRO A 76 9.404 12.269 -5.846 1.00 0.00 N ATOM 1225 CA PRO A 76 8.513 13.005 -6.761 1.00 0.00 C ATOM 1226 C PRO A 76 7.136 13.282 -6.146 1.00 0.00 C ATOM 1227 O PRO A 76 6.319 14.002 -6.724 1.00 0.00 O ATOM 1228 CB PRO A 76 8.394 12.059 -7.965 1.00 0.00 C ATOM 1229 CG PRO A 76 8.586 10.697 -7.386 1.00 0.00 C ATOM 1230 CD PRO A 76 9.585 10.861 -6.269 1.00 0.00 C ATOM 0 HA PRO A 76 8.904 13.991 -7.012 1.00 0.00 H new ATOM 0 HB2 PRO A 76 7.422 12.152 -8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 76 9.148 12.280 -8.720 1.00 0.00 H new ATOM 0 HG2 PRO A 76 7.644 10.295 -7.012 1.00 0.00 H new ATOM 0 HG3 PRO A 76 8.953 10.000 -8.140 1.00 0.00 H new ATOM 0 HD2 PRO A 76 9.389 10.168 -5.451 1.00 0.00 H new ATOM 0 HD3 PRO A 76 10.603 10.672 -6.610 1.00 0.00 H new ATOM 1238 N LYS A 77 6.889 12.707 -4.974 1.00 0.00 N ATOM 1239 CA LYS A 77 5.601 12.847 -4.294 1.00 0.00 C ATOM 1240 C LYS A 77 5.796 12.891 -2.772 1.00 0.00 C ATOM 1241 O LYS A 77 4.826 12.911 -2.013 1.00 0.00 O ATOM 1242 CB LYS A 77 4.689 11.675 -4.706 1.00 0.00 C ATOM 1243 CG LYS A 77 3.299 11.686 -4.070 1.00 0.00 C ATOM 1244 CD LYS A 77 2.463 10.489 -4.518 1.00 0.00 C ATOM 1245 CE LYS A 77 1.226 10.304 -3.647 1.00 0.00 C ATOM 1246 NZ LYS A 77 1.583 10.135 -2.211 1.00 0.00 N ATOM 0 H LYS A 77 7.567 12.135 -4.470 1.00 0.00 H new ATOM 0 HA LYS A 77 5.130 13.785 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.577 11.685 -5.790 1.00 0.00 H new ATOM 0 HB3 LYS A 77 5.184 10.740 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.396 11.676 -2.984 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.784 12.609 -4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.159 10.626 -5.556 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.072 9.586 -4.481 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.569 11.167 -3.760 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.668 9.432 -3.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.792 9.685 -1.707 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.430 9.536 -2.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.777 11.066 -1.790 1.00 0.00 H new ATOM 1260 N GLU A 78 7.068 12.964 -2.349 1.00 0.00 N ATOM 1261 CA GLU A 78 7.461 12.900 -0.933 1.00 0.00 C ATOM 1262 C GLU A 78 6.617 11.892 -0.140 1.00 0.00 C ATOM 1263 O GLU A 78 5.597 12.241 0.464 1.00 0.00 O ATOM 1264 CB GLU A 78 7.460 14.298 -0.271 1.00 0.00 C ATOM 1265 CG GLU A 78 6.127 15.045 -0.304 1.00 0.00 C ATOM 1266 CD GLU A 78 6.208 16.415 0.355 1.00 0.00 C ATOM 1267 OE1 GLU A 78 6.044 16.502 1.593 1.00 0.00 O ATOM 1268 OE2 GLU A 78 6.447 17.414 -0.360 1.00 0.00 O ATOM 0 H GLU A 78 7.858 13.070 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 78 8.488 12.535 -0.910 1.00 0.00 H new ATOM 0 HB2 GLU A 78 7.768 14.188 0.769 1.00 0.00 H new ATOM 0 HB3 GLU A 78 8.213 14.914 -0.763 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.806 15.162 -1.339 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.367 14.448 0.200 1.00 0.00 H new ATOM 1275 N VAL A 79 7.047 10.631 -0.164 1.00 0.00 N ATOM 1276 CA VAL A 79 6.340 9.561 0.532 1.00 0.00 C ATOM 1277 C VAL A 79 6.193 9.900 2.015 1.00 0.00 C ATOM 1278 O VAL A 79 7.159 10.293 2.671 1.00 0.00 O ATOM 1279 CB VAL A 79 7.067 8.201 0.378 1.00 0.00 C ATOM 1280 CG1 VAL A 79 6.289 7.079 1.068 1.00 0.00 C ATOM 1281 CG2 VAL A 79 7.289 7.878 -1.097 1.00 0.00 C ATOM 0 H VAL A 79 7.885 10.327 -0.660 1.00 0.00 H new ATOM 0 HA VAL A 79 5.353 9.472 0.078 1.00 0.00 H new ATOM 0 HB VAL A 79 8.039 8.280 0.864 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.822 6.137 0.944 1.00 0.00 H new ATOM 0 HG12 VAL A 79 6.192 7.304 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 79 5.298 6.996 0.622 1.00 0.00 H new ATOM 0 HG21 VAL A 79 7.801 6.920 -1.187 1.00 0.00 H new ATOM 0 HG22 VAL A 79 6.327 7.825 -1.607 1.00 0.00 H new ATOM 0 HG23 VAL A 79 7.898 8.659 -1.553 1.00 0.00 H new ATOM 1291 N ASN A 80 4.985 9.724 2.541 1.00 0.00 N ATOM 1292 CA ASN A 80 4.657 10.141 3.909 1.00 0.00 C ATOM 1293 C ASN A 80 5.227 9.182 4.958 1.00 0.00 C ATOM 1294 O ASN A 80 4.827 9.221 6.124 1.00 0.00 O ATOM 1295 CB ASN A 80 3.134 10.260 4.068 1.00 0.00 C ATOM 1296 CG ASN A 80 2.545 11.363 3.205 1.00 0.00 C ATOM 1297 OD1 ASN A 80 2.450 12.515 3.630 1.00 0.00 O ATOM 1298 ND2 ASN A 80 2.140 11.022 1.989 1.00 0.00 N ATOM 0 H ASN A 80 4.208 9.292 2.040 1.00 0.00 H new ATOM 0 HA ASN A 80 5.119 11.114 4.077 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.669 9.310 3.806 1.00 0.00 H new ATOM 0 HB3 ASN A 80 2.895 10.454 5.114 1.00 0.00 H new ATOM 0 HD21 ASN A 80 1.734 11.724 1.371 1.00 0.00 H new ATOM 0 HD22 ASN A 80 2.235 10.057 1.672 1.00 0.00 H new ATOM 1305 N LEU A 81 6.159 8.329 4.542 1.00 0.00 N ATOM 1306 CA LEU A 81 6.852 7.428 5.457 1.00 0.00 C ATOM 1307 C LEU A 81 7.640 8.236 6.489 1.00 0.00 C ATOM 1308 O LEU A 81 8.340 9.184 6.132 1.00 0.00 O ATOM 1309 CB LEU A 81 7.791 6.504 4.665 1.00 0.00 C ATOM 1310 CG LEU A 81 8.705 5.594 5.505 1.00 0.00 C ATOM 1311 CD1 LEU A 81 7.884 4.605 6.319 1.00 0.00 C ATOM 1312 CD2 LEU A 81 9.705 4.860 4.613 1.00 0.00 C ATOM 0 H LEU A 81 6.453 8.243 3.569 1.00 0.00 H new ATOM 0 HA LEU A 81 6.120 6.815 5.983 1.00 0.00 H new ATOM 0 HB2 LEU A 81 7.185 5.875 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 81 8.418 7.121 4.021 1.00 0.00 H new ATOM 0 HG LEU A 81 9.264 6.223 6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.552 3.973 6.904 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.219 5.149 6.990 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.292 3.983 5.647 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.341 4.223 5.227 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.166 4.247 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.322 5.586 4.084 1.00 0.00 H new ATOM 1324 N ASP A 82 7.524 7.852 7.758 1.00 0.00 N ATOM 1325 CA ASP A 82 8.159 8.580 8.864 1.00 0.00 C ATOM 1326 C ASP A 82 9.682 8.603 8.728 1.00 0.00 C ATOM 1327 O ASP A 82 10.264 7.877 7.909 1.00 0.00 O ATOM 1328 CB ASP A 82 7.762 7.962 10.212 1.00 0.00 C ATOM 1329 CG ASP A 82 8.188 6.508 10.341 1.00 0.00 C ATOM 1330 OD1 ASP A 82 7.521 5.637 9.744 1.00 0.00 O ATOM 1331 OD2 ASP A 82 9.190 6.227 11.031 1.00 0.00 O ATOM 0 H ASP A 82 6.992 7.033 8.052 1.00 0.00 H new ATOM 0 HA ASP A 82 7.804 9.610 8.822 1.00 0.00 H new ATOM 0 HB2 ASP A 82 8.212 8.541 11.019 1.00 0.00 H new ATOM 0 HB3 ASP A 82 6.681 8.032 10.334 1.00 0.00 H new ATOM 1336 N PHE A 83 10.321 9.448 9.533 1.00 0.00 N ATOM 1337 CA PHE A 83 11.767 9.633 9.486 1.00 0.00 C ATOM 1338 C PHE A 83 12.498 8.397 10.005 1.00 0.00 C ATOM 1339 O PHE A 83 13.473 7.946 9.404 1.00 0.00 O ATOM 1340 CB PHE A 83 12.167 10.870 10.307 1.00 0.00 C ATOM 1341 CG PHE A 83 13.658 11.118 10.357 1.00 0.00 C ATOM 1342 CD1 PHE A 83 14.322 11.669 9.269 1.00 0.00 C ATOM 1343 CD2 PHE A 83 14.395 10.794 11.491 1.00 0.00 C ATOM 1344 CE1 PHE A 83 15.686 11.890 9.311 1.00 0.00 C ATOM 1345 CE2 PHE A 83 15.760 11.013 11.534 1.00 0.00 C ATOM 1346 CZ PHE A 83 16.405 11.562 10.443 1.00 0.00 C ATOM 0 H PHE A 83 9.852 10.022 10.234 1.00 0.00 H new ATOM 0 HA PHE A 83 12.057 9.784 8.446 1.00 0.00 H new ATOM 0 HB2 PHE A 83 11.677 11.748 9.885 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.794 10.755 11.325 1.00 0.00 H new ATOM 0 HD1 PHE A 83 13.766 11.928 8.380 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.896 10.366 12.348 1.00 0.00 H new ATOM 0 HE1 PHE A 83 16.190 12.320 8.458 1.00 0.00 H new ATOM 0 HE2 PHE A 83 16.321 10.755 12.420 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.471 11.735 10.475 1.00 0.00 H new ATOM 1356 N HIS A 84 12.013 7.848 11.112 1.00 0.00 N ATOM 1357 CA HIS A 84 12.683 6.730 11.773 1.00 0.00 C ATOM 1358 C HIS A 84 12.819 5.528 10.838 1.00 0.00 C ATOM 1359 O HIS A 84 13.914 4.994 10.658 1.00 0.00 O ATOM 1360 CB HIS A 84 11.929 6.328 13.048 1.00 0.00 C ATOM 1361 CG HIS A 84 12.484 5.105 13.715 1.00 0.00 C ATOM 1362 ND1 HIS A 84 13.716 5.079 14.331 1.00 0.00 N ATOM 1363 CD2 HIS A 84 11.974 3.858 13.847 1.00 0.00 C ATOM 1364 CE1 HIS A 84 13.940 3.872 14.812 1.00 0.00 C ATOM 1365 NE2 HIS A 84 12.898 3.112 14.534 1.00 0.00 N ATOM 0 H HIS A 84 11.157 8.158 11.573 1.00 0.00 H new ATOM 0 HA HIS A 84 13.686 7.060 12.045 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.955 7.159 13.753 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.882 6.153 12.801 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.018 3.514 13.480 1.00 0.00 H new ATOM 0 HE1 HIS A 84 14.826 3.559 15.344 1.00 0.00 H new ATOM 0 HE2 HIS A 84 12.796 2.130 14.788 1.00 0.00 H new ATOM 1374 N THR A 85 11.711 5.118 10.237 1.00 0.00 N ATOM 1375 CA THR A 85 11.693 3.933 9.391 1.00 0.00 C ATOM 1376 C THR A 85 12.587 4.109 8.157 1.00 0.00 C ATOM 1377 O THR A 85 13.333 3.196 7.796 1.00 0.00 O ATOM 1378 CB THR A 85 10.255 3.574 8.957 1.00 0.00 C ATOM 1379 OG1 THR A 85 9.417 3.438 10.117 1.00 0.00 O ATOM 1380 CG2 THR A 85 10.226 2.275 8.157 1.00 0.00 C ATOM 0 H THR A 85 10.811 5.590 10.320 1.00 0.00 H new ATOM 0 HA THR A 85 12.090 3.111 9.987 1.00 0.00 H new ATOM 0 HB THR A 85 9.884 4.378 8.322 1.00 0.00 H new ATOM 0 HG1 THR A 85 8.681 4.083 10.067 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.200 2.050 7.866 1.00 0.00 H new ATOM 0 HG22 THR A 85 10.841 2.384 7.264 1.00 0.00 H new ATOM 0 HG23 THR A 85 10.617 1.462 8.769 1.00 0.00 H new ATOM 1388 N LYS A 86 12.533 5.283 7.520 1.00 0.00 N ATOM 1389 CA LYS A 86 13.370 5.532 6.343 1.00 0.00 C ATOM 1390 C LYS A 86 14.843 5.580 6.750 1.00 0.00 C ATOM 1391 O LYS A 86 15.718 5.164 5.992 1.00 0.00 O ATOM 1392 CB LYS A 86 12.974 6.828 5.607 1.00 0.00 C ATOM 1393 CG LYS A 86 13.244 8.115 6.386 1.00 0.00 C ATOM 1394 CD LYS A 86 13.164 9.355 5.492 1.00 0.00 C ATOM 1395 CE LYS A 86 11.783 9.540 4.871 1.00 0.00 C ATOM 1396 NZ LYS A 86 10.741 9.807 5.893 1.00 0.00 N ATOM 0 H LYS A 86 11.932 6.061 7.792 1.00 0.00 H new ATOM 0 HA LYS A 86 13.211 4.708 5.648 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.515 6.872 4.661 1.00 0.00 H new ATOM 0 HB3 LYS A 86 11.912 6.782 5.365 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.522 8.206 7.197 1.00 0.00 H new ATOM 0 HG3 LYS A 86 14.232 8.061 6.843 1.00 0.00 H new ATOM 0 HD2 LYS A 86 13.416 10.238 6.078 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.908 9.276 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.813 10.366 4.161 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.517 8.645 4.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 9.803 9.593 5.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 10.910 9.207 6.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 10.778 10.808 6.174 1.00 0.00 H new ATOM 1410 N GLU A 87 15.101 6.072 7.964 1.00 0.00 N ATOM 1411 CA GLU A 87 16.455 6.131 8.509 1.00 0.00 C ATOM 1412 C GLU A 87 17.028 4.718 8.634 1.00 0.00 C ATOM 1413 O GLU A 87 18.170 4.455 8.250 1.00 0.00 O ATOM 1414 CB GLU A 87 16.444 6.831 9.876 1.00 0.00 C ATOM 1415 CG GLU A 87 17.821 6.996 10.513 1.00 0.00 C ATOM 1416 CD GLU A 87 18.771 7.831 9.669 1.00 0.00 C ATOM 1417 OE1 GLU A 87 18.456 9.005 9.394 1.00 0.00 O ATOM 1418 OE2 GLU A 87 19.840 7.316 9.278 1.00 0.00 O ATOM 0 H GLU A 87 14.383 6.437 8.590 1.00 0.00 H new ATOM 0 HA GLU A 87 17.088 6.705 7.832 1.00 0.00 H new ATOM 0 HB2 GLU A 87 15.990 7.815 9.762 1.00 0.00 H new ATOM 0 HB3 GLU A 87 15.809 6.263 10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 87 17.709 7.462 11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 87 18.259 6.012 10.677 1.00 0.00 H new ATOM 1425 N VAL A 88 16.220 3.806 9.164 1.00 0.00 N ATOM 1426 CA VAL A 88 16.610 2.404 9.275 1.00 0.00 C ATOM 1427 C VAL A 88 17.021 1.866 7.904 1.00 0.00 C ATOM 1428 O VAL A 88 18.037 1.175 7.766 1.00 0.00 O ATOM 1429 CB VAL A 88 15.456 1.538 9.843 1.00 0.00 C ATOM 1430 CG1 VAL A 88 15.865 0.068 9.929 1.00 0.00 C ATOM 1431 CG2 VAL A 88 15.011 2.062 11.208 1.00 0.00 C ATOM 0 H VAL A 88 15.289 4.013 9.524 1.00 0.00 H new ATOM 0 HA VAL A 88 17.453 2.347 9.963 1.00 0.00 H new ATOM 0 HB VAL A 88 14.610 1.609 9.159 1.00 0.00 H new ATOM 0 HG11 VAL A 88 15.038 -0.517 10.330 1.00 0.00 H new ATOM 0 HG12 VAL A 88 16.119 -0.298 8.934 1.00 0.00 H new ATOM 0 HG13 VAL A 88 16.731 -0.031 10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 88 14.201 1.441 11.590 1.00 0.00 H new ATOM 0 HG22 VAL A 88 15.851 2.029 11.902 1.00 0.00 H new ATOM 0 HG23 VAL A 88 14.664 3.090 11.107 1.00 0.00 H new ATOM 1441 N ILE A 89 16.239 2.219 6.893 1.00 0.00 N ATOM 1442 CA ILE A 89 16.496 1.786 5.527 1.00 0.00 C ATOM 1443 C ILE A 89 17.803 2.382 5.003 1.00 0.00 C ATOM 1444 O ILE A 89 18.613 1.674 4.405 1.00 0.00 O ATOM 1445 CB ILE A 89 15.326 2.176 4.586 1.00 0.00 C ATOM 1446 CG1 ILE A 89 14.017 1.534 5.079 1.00 0.00 C ATOM 1447 CG2 ILE A 89 15.625 1.762 3.143 1.00 0.00 C ATOM 1448 CD1 ILE A 89 12.796 1.921 4.270 1.00 0.00 C ATOM 0 H ILE A 89 15.414 2.810 6.996 1.00 0.00 H new ATOM 0 HA ILE A 89 16.584 0.700 5.540 1.00 0.00 H new ATOM 0 HB ILE A 89 15.212 3.260 4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 89 14.126 0.450 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 89 13.855 1.817 6.119 1.00 0.00 H new ATOM 0 HG21 ILE A 89 14.790 2.046 2.503 1.00 0.00 H new ATOM 0 HG22 ILE A 89 16.531 2.262 2.801 1.00 0.00 H new ATOM 0 HG23 ILE A 89 15.767 0.682 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.916 1.427 4.681 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.659 3.002 4.312 1.00 0.00 H new ATOM 0 HD13 ILE A 89 12.934 1.613 3.234 1.00 0.00 H new ATOM 1460 N THR A 90 18.024 3.669 5.262 1.00 0.00 N ATOM 1461 CA THR A 90 19.202 4.365 4.748 1.00 0.00 C ATOM 1462 C THR A 90 20.500 3.780 5.319 1.00 0.00 C ATOM 1463 O THR A 90 21.557 3.881 4.698 1.00 0.00 O ATOM 1464 CB THR A 90 19.136 5.889 5.030 1.00 0.00 C ATOM 1465 OG1 THR A 90 18.911 6.136 6.424 1.00 0.00 O ATOM 1466 CG2 THR A 90 18.024 6.549 4.219 1.00 0.00 C ATOM 0 H THR A 90 17.403 4.251 5.824 1.00 0.00 H new ATOM 0 HA THR A 90 19.205 4.216 3.668 1.00 0.00 H new ATOM 0 HB THR A 90 20.094 6.318 4.735 1.00 0.00 H new ATOM 0 HG1 THR A 90 19.000 5.297 6.923 1.00 0.00 H new ATOM 0 HG21 THR A 90 18.000 7.617 4.436 1.00 0.00 H new ATOM 0 HG22 THR A 90 18.211 6.399 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.066 6.103 4.485 1.00 0.00 H new ATOM 1474 N ASN A 91 20.415 3.158 6.496 1.00 0.00 N ATOM 1475 CA ASN A 91 21.588 2.521 7.109 1.00 0.00 C ATOM 1476 C ASN A 91 21.709 1.058 6.680 1.00 0.00 C ATOM 1477 O ASN A 91 22.797 0.476 6.724 1.00 0.00 O ATOM 1478 CB ASN A 91 21.540 2.606 8.646 1.00 0.00 C ATOM 1479 CG ASN A 91 21.600 4.035 9.162 1.00 0.00 C ATOM 1480 OD1 ASN A 91 22.676 4.620 9.293 1.00 0.00 O ATOM 1481 ND2 ASN A 91 20.450 4.605 9.479 1.00 0.00 N ATOM 0 H ASN A 91 19.557 3.080 7.041 1.00 0.00 H new ATOM 0 HA ASN A 91 22.464 3.067 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 91 20.624 2.135 9.002 1.00 0.00 H new ATOM 0 HB3 ASN A 91 22.373 2.039 9.062 1.00 0.00 H new ATOM 0 HD21 ASN A 91 20.436 5.557 9.844 1.00 0.00 H new ATOM 0 HD22 ASN A 91 19.576 4.093 9.358 1.00 0.00 H new ATOM 1488 N SER A 92 20.594 0.462 6.266 1.00 0.00 N ATOM 1489 CA SER A 92 20.572 -0.951 5.884 1.00 0.00 C ATOM 1490 C SER A 92 20.619 -1.118 4.362 1.00 0.00 C ATOM 1491 O SER A 92 20.725 -2.239 3.862 1.00 0.00 O ATOM 1492 CB SER A 92 19.316 -1.629 6.456 1.00 0.00 C ATOM 1493 OG SER A 92 19.315 -3.029 6.205 1.00 0.00 O ATOM 0 H SER A 92 19.693 0.934 6.186 1.00 0.00 H new ATOM 0 HA SER A 92 21.459 -1.429 6.299 1.00 0.00 H new ATOM 0 HB2 SER A 92 19.264 -1.452 7.530 1.00 0.00 H new ATOM 0 HB3 SER A 92 18.426 -1.179 6.015 1.00 0.00 H new ATOM 0 HG SER A 92 19.747 -3.207 5.343 1.00 0.00 H new ATOM 1499 N ILE A 93 20.557 -0.002 3.635 1.00 0.00 N ATOM 1500 CA ILE A 93 20.502 -0.030 2.170 1.00 0.00 C ATOM 1501 C ILE A 93 21.765 -0.655 1.570 1.00 0.00 C ATOM 1502 O ILE A 93 21.740 -1.163 0.449 1.00 0.00 O ATOM 1503 CB ILE A 93 20.294 1.396 1.586 1.00 0.00 C ATOM 1504 CG1 ILE A 93 20.058 1.345 0.065 1.00 0.00 C ATOM 1505 CG2 ILE A 93 21.487 2.294 1.915 1.00 0.00 C ATOM 1506 CD1 ILE A 93 18.827 0.556 -0.339 1.00 0.00 C ATOM 0 H ILE A 93 20.544 0.936 4.036 1.00 0.00 H new ATOM 0 HA ILE A 93 19.647 -0.650 1.898 1.00 0.00 H new ATOM 0 HB ILE A 93 19.404 1.821 2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 93 19.965 2.363 -0.313 1.00 0.00 H new ATOM 0 HG13 ILE A 93 20.933 0.906 -0.414 1.00 0.00 H new ATOM 0 HG21 ILE A 93 21.321 3.287 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.598 2.369 2.997 1.00 0.00 H new ATOM 0 HG23 ILE A 93 22.393 1.867 1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 93 18.728 0.566 -1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 93 18.925 -0.473 0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 93 17.942 1.007 0.110 1.00 0.00 H new ATOM 1518 N THR A 94 22.863 -0.623 2.325 1.00 0.00 N ATOM 1519 CA THR A 94 24.131 -1.186 1.865 1.00 0.00 C ATOM 1520 C THR A 94 23.980 -2.677 1.536 1.00 0.00 C ATOM 1521 O THR A 94 24.367 -3.127 0.452 1.00 0.00 O ATOM 1522 CB THR A 94 25.260 -0.970 2.910 1.00 0.00 C ATOM 1523 OG1 THR A 94 26.480 -1.567 2.455 1.00 0.00 O ATOM 1524 CG2 THR A 94 24.886 -1.541 4.277 1.00 0.00 C ATOM 0 H THR A 94 22.899 -0.213 3.258 1.00 0.00 H new ATOM 0 HA THR A 94 24.413 -0.658 0.954 1.00 0.00 H new ATOM 0 HB THR A 94 25.399 0.105 3.021 1.00 0.00 H new ATOM 0 HG1 THR A 94 27.184 -1.422 3.122 1.00 0.00 H new ATOM 0 HG21 THR A 94 25.702 -1.369 4.979 1.00 0.00 H new ATOM 0 HG22 THR A 94 23.984 -1.050 4.642 1.00 0.00 H new ATOM 0 HG23 THR A 94 24.705 -2.612 4.187 1.00 0.00 H new ATOM 1532 N GLN A 95 23.388 -3.434 2.461 1.00 0.00 N ATOM 1533 CA GLN A 95 23.147 -4.863 2.265 1.00 0.00 C ATOM 1534 C GLN A 95 21.766 -5.225 2.811 1.00 0.00 C ATOM 1535 O GLN A 95 21.637 -5.692 3.947 1.00 0.00 O ATOM 1536 CB GLN A 95 24.234 -5.712 2.953 1.00 0.00 C ATOM 1537 CG GLN A 95 25.658 -5.397 2.495 1.00 0.00 C ATOM 1538 CD GLN A 95 26.707 -6.344 3.067 1.00 0.00 C ATOM 1539 OE1 GLN A 95 26.459 -6.885 4.252 1.00 0.00 O flip ATOM 1540 NE2 GLN A 95 27.738 -6.587 2.440 1.00 0.00 N flip ATOM 0 H GLN A 95 23.065 -3.077 3.360 1.00 0.00 H new ATOM 0 HA GLN A 95 23.185 -5.079 1.197 1.00 0.00 H new ATOM 0 HB2 GLN A 95 24.169 -5.561 4.031 1.00 0.00 H new ATOM 0 HB3 GLN A 95 24.029 -6.766 2.766 1.00 0.00 H new ATOM 0 HG2 GLN A 95 25.698 -5.439 1.407 1.00 0.00 H new ATOM 0 HG3 GLN A 95 25.906 -4.376 2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 95 27.896 -6.153 1.531 1.00 0.00 H new ATOM 0 HE22 GLN A 95 28.434 -7.222 2.830 1.00 0.00 H new ATOM 1549 N PRO A 96 20.707 -4.977 2.019 1.00 0.00 N ATOM 1550 CA PRO A 96 19.325 -5.201 2.448 1.00 0.00 C ATOM 1551 C PRO A 96 18.877 -6.657 2.283 1.00 0.00 C ATOM 1552 O PRO A 96 19.509 -7.440 1.565 1.00 0.00 O ATOM 1553 CB PRO A 96 18.538 -4.280 1.510 1.00 0.00 C ATOM 1554 CG PRO A 96 19.324 -4.286 0.240 1.00 0.00 C ATOM 1555 CD PRO A 96 20.774 -4.447 0.637 1.00 0.00 C ATOM 0 HA PRO A 96 19.181 -4.996 3.509 1.00 0.00 H new ATOM 0 HB2 PRO A 96 17.524 -4.647 1.352 1.00 0.00 H new ATOM 0 HB3 PRO A 96 18.453 -3.274 1.920 1.00 0.00 H new ATOM 0 HG2 PRO A 96 19.006 -5.102 -0.410 1.00 0.00 H new ATOM 0 HG3 PRO A 96 19.174 -3.360 -0.314 1.00 0.00 H new ATOM 0 HD2 PRO A 96 21.297 -5.133 -0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 96 21.307 -3.497 0.599 1.00 0.00 H new ATOM 1563 N THR A 97 17.795 -7.012 2.968 1.00 0.00 N ATOM 1564 CA THR A 97 17.182 -8.328 2.832 1.00 0.00 C ATOM 1565 C THR A 97 16.121 -8.303 1.730 1.00 0.00 C ATOM 1566 O THR A 97 15.813 -7.236 1.192 1.00 0.00 O ATOM 1567 CB THR A 97 16.535 -8.767 4.168 1.00 0.00 C ATOM 1568 OG1 THR A 97 15.547 -7.808 4.569 1.00 0.00 O ATOM 1569 CG2 THR A 97 17.584 -8.907 5.266 1.00 0.00 C ATOM 0 H THR A 97 17.320 -6.398 3.630 1.00 0.00 H new ATOM 0 HA THR A 97 17.960 -9.043 2.566 1.00 0.00 H new ATOM 0 HB THR A 97 16.065 -9.738 4.014 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.140 -8.092 5.414 1.00 0.00 H new ATOM 0 HG21 THR A 97 17.101 -9.216 6.193 1.00 0.00 H new ATOM 0 HG22 THR A 97 18.320 -9.656 4.973 1.00 0.00 H new ATOM 0 HG23 THR A 97 18.082 -7.949 5.418 1.00 0.00 H new ATOM 1577 N LEU A 98 15.548 -9.466 1.417 1.00 0.00 N ATOM 1578 CA LEU A 98 14.531 -9.581 0.362 1.00 0.00 C ATOM 1579 C LEU A 98 13.273 -8.787 0.708 1.00 0.00 C ATOM 1580 O LEU A 98 12.400 -8.591 -0.135 1.00 0.00 O ATOM 1581 CB LEU A 98 14.153 -11.055 0.120 1.00 0.00 C ATOM 1582 CG LEU A 98 15.146 -11.881 -0.718 1.00 0.00 C ATOM 1583 CD1 LEU A 98 16.540 -11.876 -0.098 1.00 0.00 C ATOM 1584 CD2 LEU A 98 14.642 -13.313 -0.883 1.00 0.00 C ATOM 0 H LEU A 98 15.770 -10.348 1.880 1.00 0.00 H new ATOM 0 HA LEU A 98 14.967 -9.167 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 98 14.033 -11.542 1.088 1.00 0.00 H new ATOM 0 HB3 LEU A 98 13.181 -11.083 -0.373 1.00 0.00 H new ATOM 0 HG LEU A 98 15.218 -11.416 -1.701 1.00 0.00 H new ATOM 0 HD11 LEU A 98 17.215 -12.469 -0.716 1.00 0.00 H new ATOM 0 HD12 LEU A 98 16.908 -10.852 -0.038 1.00 0.00 H new ATOM 0 HD13 LEU A 98 16.494 -12.304 0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 98 15.355 -13.884 -1.478 1.00 0.00 H new ATOM 0 HD22 LEU A 98 14.535 -13.776 0.098 1.00 0.00 H new ATOM 0 HD23 LEU A 98 13.676 -13.303 -1.387 1.00 0.00 H new ATOM 1596 N HIS A 99 13.173 -8.337 1.951 1.00 0.00 N ATOM 1597 CA HIS A 99 12.001 -7.598 2.401 1.00 0.00 C ATOM 1598 C HIS A 99 12.423 -6.505 3.379 1.00 0.00 C ATOM 1599 O HIS A 99 11.712 -6.204 4.331 1.00 0.00 O ATOM 1600 CB HIS A 99 10.997 -8.569 3.050 1.00 0.00 C ATOM 1601 CG HIS A 99 9.569 -8.322 2.654 1.00 0.00 C ATOM 1602 ND1 HIS A 99 8.516 -8.379 3.541 1.00 0.00 N ATOM 1603 CD2 HIS A 99 9.020 -8.052 1.444 1.00 0.00 C ATOM 1604 CE1 HIS A 99 7.388 -8.163 2.895 1.00 0.00 C ATOM 1605 NE2 HIS A 99 7.664 -7.960 1.623 1.00 0.00 N ATOM 0 H HIS A 99 13.889 -8.470 2.666 1.00 0.00 H new ATOM 0 HA HIS A 99 11.516 -7.121 1.549 1.00 0.00 H new ATOM 0 HB2 HIS A 99 11.267 -9.590 2.780 1.00 0.00 H new ATOM 0 HB3 HIS A 99 11.082 -8.493 4.134 1.00 0.00 H new ATOM 0 HD1 HIS A 99 8.597 -8.560 4.542 1.00 0.00 H new ATOM 0 HD2 HIS A 99 9.552 -7.932 0.512 1.00 0.00 H new ATOM 0 HE1 HIS A 99 6.402 -8.154 3.335 1.00 0.00 H new ATOM 0 HE2 HIS A 99 6.981 -7.766 0.891 1.00 0.00 H new ATOM 1614 N SER A 100 13.573 -5.893 3.105 1.00 0.00 N ATOM 1615 CA SER A 100 14.147 -4.868 3.982 1.00 0.00 C ATOM 1616 C SER A 100 13.182 -3.697 4.204 1.00 0.00 C ATOM 1617 O SER A 100 13.291 -2.975 5.195 1.00 0.00 O ATOM 1618 CB SER A 100 15.463 -4.352 3.389 1.00 0.00 C ATOM 1619 OG SER A 100 16.126 -3.475 4.287 1.00 0.00 O ATOM 0 H SER A 100 14.132 -6.090 2.275 1.00 0.00 H new ATOM 0 HA SER A 100 14.334 -5.331 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 100 16.113 -5.195 3.154 1.00 0.00 H new ATOM 0 HB3 SER A 100 15.263 -3.833 2.452 1.00 0.00 H new ATOM 0 HG SER A 100 16.962 -3.163 3.882 1.00 0.00 H new ATOM 1625 N PHE A 101 12.244 -3.514 3.281 1.00 0.00 N ATOM 1626 CA PHE A 101 11.263 -2.430 3.373 1.00 0.00 C ATOM 1627 C PHE A 101 10.031 -2.884 4.156 1.00 0.00 C ATOM 1628 O PHE A 101 8.990 -2.225 4.132 1.00 0.00 O ATOM 1629 CB PHE A 101 10.851 -1.972 1.964 1.00 0.00 C ATOM 1630 CG PHE A 101 12.011 -1.536 1.100 1.00 0.00 C ATOM 1631 CD1 PHE A 101 12.518 -0.247 1.192 1.00 0.00 C ATOM 1632 CD2 PHE A 101 12.596 -2.417 0.199 1.00 0.00 C ATOM 1633 CE1 PHE A 101 13.583 0.152 0.404 1.00 0.00 C ATOM 1634 CE2 PHE A 101 13.660 -2.021 -0.588 1.00 0.00 C ATOM 1635 CZ PHE A 101 14.154 -0.735 -0.486 1.00 0.00 C ATOM 0 H PHE A 101 12.139 -4.104 2.455 1.00 0.00 H new ATOM 0 HA PHE A 101 11.720 -1.593 3.901 1.00 0.00 H new ATOM 0 HB2 PHE A 101 10.326 -2.787 1.466 1.00 0.00 H new ATOM 0 HB3 PHE A 101 10.146 -1.146 2.053 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.076 0.452 1.886 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.214 -3.424 0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 101 13.968 1.158 0.485 1.00 0.00 H new ATOM 0 HE2 PHE A 101 14.106 -2.717 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 101 14.985 -0.424 -1.101 1.00 0.00 H new ATOM 1645 N ASP A 102 10.167 -4.001 4.872 1.00 0.00 N ATOM 1646 CA ASP A 102 9.044 -4.634 5.566 1.00 0.00 C ATOM 1647 C ASP A 102 8.335 -3.658 6.503 1.00 0.00 C ATOM 1648 O ASP A 102 7.117 -3.485 6.421 1.00 0.00 O ATOM 1649 CB ASP A 102 9.520 -5.859 6.353 1.00 0.00 C ATOM 1650 CG ASP A 102 8.363 -6.676 6.905 1.00 0.00 C ATOM 1651 OD1 ASP A 102 7.807 -7.502 6.152 1.00 0.00 O ATOM 1652 OD2 ASP A 102 8.013 -6.505 8.092 1.00 0.00 O ATOM 0 H ASP A 102 11.054 -4.491 4.987 1.00 0.00 H new ATOM 0 HA ASP A 102 8.330 -4.950 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 102 10.130 -6.489 5.706 1.00 0.00 H new ATOM 0 HB3 ASP A 102 10.157 -5.534 7.175 1.00 0.00 H new ATOM 1657 N ALA A 103 9.103 -3.023 7.384 1.00 0.00 N ATOM 1658 CA ALA A 103 8.556 -2.043 8.322 1.00 0.00 C ATOM 1659 C ALA A 103 7.900 -0.881 7.579 1.00 0.00 C ATOM 1660 O ALA A 103 6.859 -0.366 7.997 1.00 0.00 O ATOM 1661 CB ALA A 103 9.650 -1.529 9.253 1.00 0.00 C ATOM 0 H ALA A 103 10.109 -3.169 7.469 1.00 0.00 H new ATOM 0 HA ALA A 103 7.791 -2.538 8.921 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.227 -0.801 9.945 1.00 0.00 H new ATOM 0 HB2 ALA A 103 10.070 -2.363 9.816 1.00 0.00 H new ATOM 0 HB3 ALA A 103 10.436 -1.056 8.664 1.00 0.00 H new ATOM 1667 N ALA A 104 8.512 -0.487 6.463 1.00 0.00 N ATOM 1668 CA ALA A 104 8.028 0.637 5.666 1.00 0.00 C ATOM 1669 C ALA A 104 6.624 0.366 5.134 1.00 0.00 C ATOM 1670 O ALA A 104 5.787 1.272 5.081 1.00 0.00 O ATOM 1671 CB ALA A 104 8.992 0.935 4.521 1.00 0.00 C ATOM 0 H ALA A 104 9.349 -0.934 6.089 1.00 0.00 H new ATOM 0 HA ALA A 104 7.978 1.514 6.311 1.00 0.00 H new ATOM 0 HB1 ALA A 104 8.615 1.775 3.938 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.972 1.185 4.927 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.078 0.058 3.880 1.00 0.00 H new ATOM 1677 N GLN A 105 6.371 -0.890 4.753 1.00 0.00 N ATOM 1678 CA GLN A 105 5.053 -1.297 4.266 1.00 0.00 C ATOM 1679 C GLN A 105 3.996 -0.937 5.296 1.00 0.00 C ATOM 1680 O GLN A 105 3.045 -0.208 5.009 1.00 0.00 O ATOM 1681 CB GLN A 105 4.981 -2.812 4.032 1.00 0.00 C ATOM 1682 CG GLN A 105 6.174 -3.414 3.310 1.00 0.00 C ATOM 1683 CD GLN A 105 6.038 -4.919 3.174 1.00 0.00 C ATOM 1684 OE1 GLN A 105 6.339 -5.628 4.249 1.00 0.00 O flip ATOM 1685 NE2 GLN A 105 5.609 -5.432 2.143 1.00 0.00 N flip ATOM 0 H GLN A 105 7.062 -1.640 4.773 1.00 0.00 H new ATOM 0 HA GLN A 105 4.879 -0.779 3.323 1.00 0.00 H new ATOM 0 HB2 GLN A 105 4.873 -3.307 4.997 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.081 -3.032 3.458 1.00 0.00 H new ATOM 0 HG2 GLN A 105 6.267 -2.965 2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 105 7.088 -3.178 3.855 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.389 -4.848 1.336 1.00 0.00 H new ATOM 0 HE22 GLN A 105 5.473 -6.442 2.094 1.00 0.00 H new ATOM 1694 N SER A 106 4.193 -1.462 6.503 1.00 0.00 N ATOM 1695 CA SER A 106 3.254 -1.284 7.597 1.00 0.00 C ATOM 1696 C SER A 106 3.005 0.199 7.863 1.00 0.00 C ATOM 1697 O SER A 106 1.862 0.620 7.996 1.00 0.00 O ATOM 1698 CB SER A 106 3.791 -1.977 8.854 1.00 0.00 C ATOM 1699 OG SER A 106 4.094 -3.341 8.587 1.00 0.00 O ATOM 0 H SER A 106 5.010 -2.022 6.746 1.00 0.00 H new ATOM 0 HA SER A 106 2.302 -1.737 7.321 1.00 0.00 H new ATOM 0 HB2 SER A 106 4.686 -1.463 9.204 1.00 0.00 H new ATOM 0 HB3 SER A 106 3.053 -1.913 9.654 1.00 0.00 H new ATOM 0 HG SER A 106 4.437 -3.765 9.401 1.00 0.00 H new ATOM 1705 N ARG A 107 4.081 0.984 7.903 1.00 0.00 N ATOM 1706 CA ARG A 107 3.981 2.423 8.159 1.00 0.00 C ATOM 1707 C ARG A 107 3.012 3.087 7.182 1.00 0.00 C ATOM 1708 O ARG A 107 2.018 3.695 7.588 1.00 0.00 O ATOM 1709 CB ARG A 107 5.360 3.081 8.047 1.00 0.00 C ATOM 1710 CG ARG A 107 6.379 2.577 9.064 1.00 0.00 C ATOM 1711 CD ARG A 107 5.937 2.848 10.496 1.00 0.00 C ATOM 1712 NE ARG A 107 6.967 2.470 11.466 1.00 0.00 N ATOM 1713 CZ ARG A 107 6.742 2.305 12.769 1.00 0.00 C ATOM 1714 NH1 ARG A 107 5.517 2.464 13.258 1.00 0.00 N ATOM 1715 NH2 ARG A 107 7.739 1.975 13.579 1.00 0.00 N ATOM 0 H ARG A 107 5.034 0.648 7.761 1.00 0.00 H new ATOM 0 HA ARG A 107 3.600 2.558 9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 107 5.751 2.911 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.247 4.158 8.167 1.00 0.00 H new ATOM 0 HG2 ARG A 107 6.529 1.506 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 107 7.340 3.059 8.884 1.00 0.00 H new ATOM 0 HD2 ARG A 107 5.702 3.906 10.609 1.00 0.00 H new ATOM 0 HD3 ARG A 107 5.021 2.294 10.704 1.00 0.00 H new ATOM 0 HE ARG A 107 7.916 2.324 11.123 1.00 0.00 H new ATOM 0 HH11 ARG A 107 4.748 2.713 12.636 1.00 0.00 H new ATOM 0 HH12 ARG A 107 5.346 2.337 14.256 1.00 0.00 H new ATOM 0 HH21 ARG A 107 8.679 1.847 13.205 1.00 0.00 H new ATOM 0 HH22 ARG A 107 7.566 1.849 14.576 1.00 0.00 H new ATOM 1729 N VAL A 108 3.301 2.945 5.896 1.00 0.00 N ATOM 1730 CA VAL A 108 2.492 3.559 4.849 1.00 0.00 C ATOM 1731 C VAL A 108 1.069 2.989 4.864 1.00 0.00 C ATOM 1732 O VAL A 108 0.094 3.697 4.587 1.00 0.00 O ATOM 1733 CB VAL A 108 3.142 3.348 3.457 1.00 0.00 C ATOM 1734 CG1 VAL A 108 2.347 4.059 2.370 1.00 0.00 C ATOM 1735 CG2 VAL A 108 4.594 3.827 3.464 1.00 0.00 C ATOM 0 H VAL A 108 4.095 2.406 5.550 1.00 0.00 H new ATOM 0 HA VAL A 108 2.440 4.630 5.045 1.00 0.00 H new ATOM 0 HB VAL A 108 3.132 2.280 3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 108 2.824 3.895 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 108 1.331 3.664 2.345 1.00 0.00 H new ATOM 0 HG13 VAL A 108 2.315 5.128 2.582 1.00 0.00 H new ATOM 0 HG21 VAL A 108 5.033 3.671 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 108 4.626 4.888 3.712 1.00 0.00 H new ATOM 0 HG23 VAL A 108 5.159 3.264 4.207 1.00 0.00 H new ATOM 1745 N TYR A 109 0.973 1.711 5.220 1.00 0.00 N ATOM 1746 CA TYR A 109 -0.301 1.004 5.342 1.00 0.00 C ATOM 1747 C TYR A 109 -1.207 1.689 6.376 1.00 0.00 C ATOM 1748 O TYR A 109 -2.393 1.910 6.122 1.00 0.00 O ATOM 1749 CB TYR A 109 -0.009 -0.462 5.713 1.00 0.00 C ATOM 1750 CG TYR A 109 -1.211 -1.329 6.057 1.00 0.00 C ATOM 1751 CD1 TYR A 109 -1.693 -1.407 7.362 1.00 0.00 C ATOM 1752 CD2 TYR A 109 -1.834 -2.104 5.085 1.00 0.00 C ATOM 1753 CE1 TYR A 109 -2.758 -2.229 7.685 1.00 0.00 C ATOM 1754 CE2 TYR A 109 -2.903 -2.923 5.399 1.00 0.00 C ATOM 1755 CZ TYR A 109 -3.360 -2.984 6.700 1.00 0.00 C ATOM 1756 OH TYR A 109 -4.416 -3.813 7.013 1.00 0.00 O ATOM 0 H TYR A 109 1.784 1.131 5.434 1.00 0.00 H new ATOM 0 HA TYR A 109 -0.839 1.029 4.394 1.00 0.00 H new ATOM 0 HB2 TYR A 109 0.519 -0.926 4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 109 0.671 -0.469 6.565 1.00 0.00 H new ATOM 0 HD1 TYR A 109 -1.227 -0.815 8.136 1.00 0.00 H new ATOM 0 HD2 TYR A 109 -1.477 -2.066 4.067 1.00 0.00 H new ATOM 0 HE1 TYR A 109 -3.116 -2.279 8.703 1.00 0.00 H new ATOM 0 HE2 TYR A 109 -3.379 -3.513 4.629 1.00 0.00 H new ATOM 0 HH TYR A 109 -4.913 -3.438 7.770 1.00 0.00 H new ATOM 1766 N GLN A 110 -0.633 2.043 7.530 1.00 0.00 N ATOM 1767 CA GLN A 110 -1.379 2.743 8.585 1.00 0.00 C ATOM 1768 C GLN A 110 -1.882 4.079 8.057 1.00 0.00 C ATOM 1769 O GLN A 110 -3.018 4.489 8.315 1.00 0.00 O ATOM 1770 CB GLN A 110 -0.485 3.012 9.809 1.00 0.00 C ATOM 1771 CG GLN A 110 0.379 1.833 10.219 1.00 0.00 C ATOM 1772 CD GLN A 110 1.293 2.136 11.400 1.00 0.00 C ATOM 1773 OE1 GLN A 110 2.432 2.577 11.225 1.00 0.00 O ATOM 1774 NE2 GLN A 110 0.807 1.895 12.606 1.00 0.00 N ATOM 0 H GLN A 110 0.344 1.858 7.759 1.00 0.00 H new ATOM 0 HA GLN A 110 -2.214 2.108 8.882 1.00 0.00 H new ATOM 0 HB2 GLN A 110 0.160 3.864 9.594 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -1.116 3.296 10.651 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -0.265 0.991 10.474 1.00 0.00 H new ATOM 0 HG3 GLN A 110 0.987 1.524 9.368 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -0.140 1.530 12.711 1.00 0.00 H new ATOM 0 HE22 GLN A 110 1.379 2.074 13.431 1.00 0.00 H new ATOM 1783 N LEU A 111 -1.012 4.735 7.299 1.00 0.00 N ATOM 1784 CA LEU A 111 -1.237 6.095 6.835 1.00 0.00 C ATOM 1785 C LEU A 111 -2.525 6.228 6.018 1.00 0.00 C ATOM 1786 O LEU A 111 -3.373 7.065 6.336 1.00 0.00 O ATOM 1787 CB LEU A 111 -0.028 6.574 6.023 1.00 0.00 C ATOM 1788 CG LEU A 111 1.295 6.660 6.806 1.00 0.00 C ATOM 1789 CD1 LEU A 111 2.431 7.115 5.897 1.00 0.00 C ATOM 1790 CD2 LEU A 111 1.155 7.598 8.006 1.00 0.00 C ATOM 0 H LEU A 111 -0.127 4.335 6.988 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.358 6.728 7.714 1.00 0.00 H new ATOM 0 HB2 LEU A 111 0.112 5.900 5.178 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -0.253 7.558 5.612 1.00 0.00 H new ATOM 0 HG LEU A 111 1.534 5.664 7.179 1.00 0.00 H new ATOM 0 HD11 LEU A 111 3.356 7.169 6.470 1.00 0.00 H new ATOM 0 HD12 LEU A 111 2.551 6.403 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.199 8.099 5.489 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.102 7.644 8.545 1.00 0.00 H new ATOM 0 HD22 LEU A 111 0.887 8.596 7.659 1.00 0.00 H new ATOM 0 HD23 LEU A 111 0.377 7.224 8.671 1.00 0.00 H new ATOM 1802 N MET A 112 -2.690 5.415 4.969 1.00 0.00 N ATOM 1803 CA MET A 112 -3.885 5.542 4.127 1.00 0.00 C ATOM 1804 C MET A 112 -5.047 4.741 4.706 1.00 0.00 C ATOM 1805 O MET A 112 -6.187 4.905 4.277 1.00 0.00 O ATOM 1806 CB MET A 112 -3.628 5.146 2.660 1.00 0.00 C ATOM 1807 CG MET A 112 -3.550 3.649 2.388 1.00 0.00 C ATOM 1808 SD MET A 112 -2.035 2.899 3.001 1.00 0.00 S ATOM 1809 CE MET A 112 -2.181 1.253 2.308 1.00 0.00 C ATOM 0 H MET A 112 -2.035 4.685 4.688 1.00 0.00 H new ATOM 0 HA MET A 112 -4.152 6.599 4.125 1.00 0.00 H new ATOM 0 HB2 MET A 112 -4.422 5.569 2.044 1.00 0.00 H new ATOM 0 HB3 MET A 112 -2.694 5.605 2.336 1.00 0.00 H new ATOM 0 HG2 MET A 112 -4.405 3.157 2.851 1.00 0.00 H new ATOM 0 HG3 MET A 112 -3.625 3.476 1.314 1.00 0.00 H new ATOM 0 HE1 MET A 112 -1.877 0.517 3.052 1.00 0.00 H new ATOM 0 HE2 MET A 112 -3.216 1.070 2.019 1.00 0.00 H new ATOM 0 HE3 MET A 112 -1.539 1.169 1.431 1.00 0.00 H new ATOM 1819 N GLU A 113 -4.764 3.879 5.682 1.00 0.00 N ATOM 1820 CA GLU A 113 -5.823 3.162 6.386 1.00 0.00 C ATOM 1821 C GLU A 113 -6.701 4.161 7.136 1.00 0.00 C ATOM 1822 O GLU A 113 -7.863 4.378 6.784 1.00 0.00 O ATOM 1823 CB GLU A 113 -5.238 2.139 7.372 1.00 0.00 C ATOM 1824 CG GLU A 113 -6.293 1.390 8.183 1.00 0.00 C ATOM 1825 CD GLU A 113 -5.689 0.477 9.238 1.00 0.00 C ATOM 1826 OE1 GLU A 113 -5.362 0.969 10.342 1.00 0.00 O ATOM 1827 OE2 GLU A 113 -5.542 -0.735 8.974 1.00 0.00 O ATOM 0 H GLU A 113 -3.819 3.662 6.000 1.00 0.00 H new ATOM 0 HA GLU A 113 -6.422 2.621 5.653 1.00 0.00 H new ATOM 0 HB2 GLU A 113 -4.639 1.416 6.818 1.00 0.00 H new ATOM 0 HB3 GLU A 113 -4.564 2.653 8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 113 -6.951 2.111 8.667 1.00 0.00 H new ATOM 0 HG3 GLU A 113 -6.911 0.798 7.508 1.00 0.00 H new ATOM 1834 N GLN A 114 -6.109 4.800 8.142 1.00 0.00 N ATOM 1835 CA GLN A 114 -6.823 5.748 8.996 1.00 0.00 C ATOM 1836 C GLN A 114 -7.576 6.797 8.171 1.00 0.00 C ATOM 1837 O GLN A 114 -8.644 7.265 8.571 1.00 0.00 O ATOM 1838 CB GLN A 114 -5.837 6.439 9.948 1.00 0.00 C ATOM 1839 CG GLN A 114 -4.728 7.206 9.232 1.00 0.00 C ATOM 1840 CD GLN A 114 -3.758 7.883 10.184 1.00 0.00 C ATOM 1841 OE1 GLN A 114 -3.512 7.403 11.293 1.00 0.00 O ATOM 1842 NE2 GLN A 114 -3.206 9.009 9.762 1.00 0.00 N ATOM 0 H GLN A 114 -5.127 4.677 8.388 1.00 0.00 H new ATOM 0 HA GLN A 114 -7.559 5.188 9.574 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -6.387 7.127 10.590 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -5.387 5.689 10.598 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -4.177 6.519 8.589 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -5.176 7.959 8.584 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -3.435 9.374 8.838 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -2.551 9.512 10.361 1.00 0.00 H new ATOM 1851 N ASP A 115 -7.021 7.151 7.014 1.00 0.00 N ATOM 1852 CA ASP A 115 -7.601 8.193 6.167 1.00 0.00 C ATOM 1853 C ASP A 115 -8.455 7.596 5.042 1.00 0.00 C ATOM 1854 O ASP A 115 -9.682 7.585 5.125 1.00 0.00 O ATOM 1855 CB ASP A 115 -6.490 9.076 5.579 1.00 0.00 C ATOM 1856 CG ASP A 115 -7.031 10.245 4.767 1.00 0.00 C ATOM 1857 OD1 ASP A 115 -7.397 11.276 5.373 1.00 0.00 O ATOM 1858 OD2 ASP A 115 -7.094 10.138 3.526 1.00 0.00 O ATOM 0 H ASP A 115 -6.170 6.732 6.640 1.00 0.00 H new ATOM 0 HA ASP A 115 -8.254 8.804 6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 115 -5.870 9.459 6.389 1.00 0.00 H new ATOM 0 HB3 ASP A 115 -5.846 8.467 4.945 1.00 0.00 H new ATOM 1863 N SER A 116 -7.799 7.070 4.013 1.00 0.00 N ATOM 1864 CA SER A 116 -8.486 6.634 2.798 1.00 0.00 C ATOM 1865 C SER A 116 -9.472 5.490 3.073 1.00 0.00 C ATOM 1866 O SER A 116 -10.563 5.464 2.505 1.00 0.00 O ATOM 1867 CB SER A 116 -7.460 6.218 1.735 1.00 0.00 C ATOM 1868 OG SER A 116 -8.081 5.941 0.491 1.00 0.00 O ATOM 0 H SER A 116 -6.788 6.934 3.995 1.00 0.00 H new ATOM 0 HA SER A 116 -9.068 7.477 2.425 1.00 0.00 H new ATOM 0 HB2 SER A 116 -6.725 7.013 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.919 5.336 2.077 1.00 0.00 H new ATOM 0 HG SER A 116 -8.210 6.777 -0.003 1.00 0.00 H new ATOM 1874 N TYR A 117 -9.107 4.560 3.961 1.00 0.00 N ATOM 1875 CA TYR A 117 -9.952 3.390 4.230 1.00 0.00 C ATOM 1876 C TYR A 117 -11.281 3.803 4.864 1.00 0.00 C ATOM 1877 O TYR A 117 -12.332 3.254 4.528 1.00 0.00 O ATOM 1878 CB TYR A 117 -9.201 2.378 5.114 1.00 0.00 C ATOM 1879 CG TYR A 117 -10.072 1.308 5.755 1.00 0.00 C ATOM 1880 CD1 TYR A 117 -10.716 0.340 4.990 1.00 0.00 C ATOM 1881 CD2 TYR A 117 -10.234 1.262 7.138 1.00 0.00 C ATOM 1882 CE1 TYR A 117 -11.496 -0.637 5.582 1.00 0.00 C ATOM 1883 CE2 TYR A 117 -11.011 0.291 7.736 1.00 0.00 C ATOM 1884 CZ TYR A 117 -11.640 -0.657 6.956 1.00 0.00 C ATOM 1885 OH TYR A 117 -12.413 -1.627 7.553 1.00 0.00 O ATOM 0 H TYR A 117 -8.242 4.592 4.501 1.00 0.00 H new ATOM 0 HA TYR A 117 -10.181 2.907 3.280 1.00 0.00 H new ATOM 0 HB2 TYR A 117 -8.437 1.888 4.510 1.00 0.00 H new ATOM 0 HB3 TYR A 117 -8.683 2.923 5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 117 -10.605 0.352 3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 117 -9.742 2.000 7.754 1.00 0.00 H new ATOM 0 HE1 TYR A 117 -11.990 -1.380 4.973 1.00 0.00 H new ATOM 0 HE2 TYR A 117 -11.126 0.273 8.810 1.00 0.00 H new ATOM 0 HH TYR A 117 -12.290 -2.478 7.083 1.00 0.00 H new ATOM 1895 N THR A 118 -11.244 4.787 5.757 1.00 0.00 N ATOM 1896 CA THR A 118 -12.459 5.264 6.410 1.00 0.00 C ATOM 1897 C THR A 118 -13.374 5.966 5.398 1.00 0.00 C ATOM 1898 O THR A 118 -14.596 5.757 5.388 1.00 0.00 O ATOM 1899 CB THR A 118 -12.132 6.211 7.591 1.00 0.00 C ATOM 1900 OG1 THR A 118 -11.225 7.235 7.164 1.00 0.00 O ATOM 1901 CG2 THR A 118 -11.517 5.445 8.759 1.00 0.00 C ATOM 0 H THR A 118 -10.391 5.268 6.044 1.00 0.00 H new ATOM 0 HA THR A 118 -12.982 4.396 6.813 1.00 0.00 H new ATOM 0 HB THR A 118 -13.066 6.663 7.925 1.00 0.00 H new ATOM 0 HG1 THR A 118 -10.933 7.051 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 118 -11.298 6.136 9.573 1.00 0.00 H new ATOM 0 HG22 THR A 118 -12.218 4.686 9.106 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.594 4.964 8.433 1.00 0.00 H new ATOM 1909 N ARG A 119 -12.775 6.775 4.525 1.00 0.00 N ATOM 1910 CA ARG A 119 -13.523 7.441 3.458 1.00 0.00 C ATOM 1911 C ARG A 119 -14.048 6.407 2.464 1.00 0.00 C ATOM 1912 O ARG A 119 -15.147 6.546 1.929 1.00 0.00 O ATOM 1913 CB ARG A 119 -12.654 8.492 2.743 1.00 0.00 C ATOM 1914 CG ARG A 119 -12.505 9.812 3.505 1.00 0.00 C ATOM 1915 CD ARG A 119 -11.889 9.617 4.884 1.00 0.00 C ATOM 1916 NE ARG A 119 -11.705 10.881 5.597 1.00 0.00 N ATOM 1917 CZ ARG A 119 -11.161 10.974 6.810 1.00 0.00 C ATOM 1918 NH1 ARG A 119 -10.784 9.876 7.456 1.00 0.00 N ATOM 1919 NH2 ARG A 119 -11.003 12.163 7.377 1.00 0.00 N ATOM 0 H ARG A 119 -11.777 6.985 4.535 1.00 0.00 H new ATOM 0 HA ARG A 119 -14.370 7.961 3.905 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -11.663 8.071 2.572 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -13.086 8.698 1.764 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -11.884 10.495 2.926 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -13.483 10.281 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -12.527 8.960 5.474 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.926 9.118 4.781 1.00 0.00 H new ATOM 0 HE ARG A 119 -12.010 11.740 5.140 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -10.911 8.961 7.024 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -10.368 9.948 8.384 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -11.298 13.006 6.884 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -10.587 12.234 8.305 1.00 0.00 H new ATOM 1933 N PHE A 120 -13.267 5.353 2.245 1.00 0.00 N ATOM 1934 CA PHE A 120 -13.687 4.252 1.388 1.00 0.00 C ATOM 1935 C PHE A 120 -14.947 3.608 1.956 1.00 0.00 C ATOM 1936 O PHE A 120 -15.883 3.302 1.220 1.00 0.00 O ATOM 1937 CB PHE A 120 -12.571 3.207 1.246 1.00 0.00 C ATOM 1938 CG PHE A 120 -12.977 1.999 0.434 1.00 0.00 C ATOM 1939 CD1 PHE A 120 -13.113 2.089 -0.945 1.00 0.00 C ATOM 1940 CD2 PHE A 120 -13.232 0.781 1.050 1.00 0.00 C ATOM 1941 CE1 PHE A 120 -13.494 0.988 -1.689 1.00 0.00 C ATOM 1942 CE2 PHE A 120 -13.612 -0.322 0.308 1.00 0.00 C ATOM 1943 CZ PHE A 120 -13.743 -0.218 -1.063 1.00 0.00 C ATOM 0 H PHE A 120 -12.338 5.239 2.651 1.00 0.00 H new ATOM 0 HA PHE A 120 -13.903 4.649 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -11.704 3.674 0.779 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -12.261 2.880 2.239 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -12.919 3.028 -1.441 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -13.132 0.694 2.122 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -13.597 1.071 -2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -13.806 -1.264 0.800 1.00 0.00 H new ATOM 0 HZ PHE A 120 -14.040 -1.078 -1.645 1.00 0.00 H new ATOM 1953 N LEU A 121 -14.974 3.428 3.273 1.00 0.00 N ATOM 1954 CA LEU A 121 -16.146 2.872 3.949 1.00 0.00 C ATOM 1955 C LEU A 121 -17.361 3.780 3.754 1.00 0.00 C ATOM 1956 O LEU A 121 -18.499 3.315 3.776 1.00 0.00 O ATOM 1957 CB LEU A 121 -15.871 2.672 5.447 1.00 0.00 C ATOM 1958 CG LEU A 121 -14.779 1.645 5.790 1.00 0.00 C ATOM 1959 CD1 LEU A 121 -14.577 1.557 7.302 1.00 0.00 C ATOM 1960 CD2 LEU A 121 -15.127 0.274 5.208 1.00 0.00 C ATOM 0 H LEU A 121 -14.199 3.658 3.895 1.00 0.00 H new ATOM 0 HA LEU A 121 -16.360 1.900 3.505 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -15.590 3.633 5.878 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -16.798 2.365 5.931 1.00 0.00 H new ATOM 0 HG LEU A 121 -13.843 1.978 5.341 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -13.800 0.825 7.523 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -14.277 2.532 7.686 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -15.509 1.251 7.776 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -14.342 -0.439 5.462 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -16.075 -0.067 5.623 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -15.212 0.350 4.124 1.00 0.00 H new ATOM 1972 N LYS A 122 -17.112 5.078 3.569 1.00 0.00 N ATOM 1973 CA LYS A 122 -18.192 6.046 3.355 1.00 0.00 C ATOM 1974 C LYS A 122 -18.216 6.585 1.923 1.00 0.00 C ATOM 1975 O LYS A 122 -18.823 7.626 1.654 1.00 0.00 O ATOM 1976 CB LYS A 122 -18.085 7.187 4.374 1.00 0.00 C ATOM 1977 CG LYS A 122 -18.508 6.760 5.773 1.00 0.00 C ATOM 1978 CD LYS A 122 -19.979 6.343 5.799 1.00 0.00 C ATOM 1979 CE LYS A 122 -20.331 5.587 7.068 1.00 0.00 C ATOM 1980 NZ LYS A 122 -21.791 5.324 7.176 1.00 0.00 N ATOM 0 H LYS A 122 -16.176 5.483 3.563 1.00 0.00 H new ATOM 0 HA LYS A 122 -19.137 5.525 3.505 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -17.057 7.549 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -18.707 8.021 4.048 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -17.885 5.930 6.107 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -18.347 7.581 6.472 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -20.609 7.229 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -20.195 5.718 4.932 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -19.790 4.641 7.088 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -20.001 6.160 7.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -21.986 4.806 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -22.307 6.227 7.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -22.102 4.755 6.363 1.00 0.00 H new ATOM 1994 N SER A 123 -17.564 5.878 1.004 1.00 0.00 N ATOM 1995 CA SER A 123 -17.666 6.202 -0.412 1.00 0.00 C ATOM 1996 C SER A 123 -18.971 5.638 -0.969 1.00 0.00 C ATOM 1997 O SER A 123 -19.451 4.594 -0.509 1.00 0.00 O ATOM 1998 CB SER A 123 -16.470 5.629 -1.193 1.00 0.00 C ATOM 1999 OG SER A 123 -16.529 4.212 -1.266 1.00 0.00 O ATOM 0 H SER A 123 -16.963 5.081 1.215 1.00 0.00 H new ATOM 0 HA SER A 123 -17.658 7.286 -0.525 1.00 0.00 H new ATOM 0 HB2 SER A 123 -16.458 6.046 -2.200 1.00 0.00 H new ATOM 0 HB3 SER A 123 -15.540 5.932 -0.711 1.00 0.00 H new ATOM 0 HG SER A 123 -16.210 3.827 -0.423 1.00 0.00 H new ATOM 2005 N ASP A 124 -19.549 6.329 -1.949 1.00 0.00 N ATOM 2006 CA ASP A 124 -20.762 5.854 -2.617 1.00 0.00 C ATOM 2007 C ASP A 124 -20.547 4.447 -3.174 1.00 0.00 C ATOM 2008 O ASP A 124 -21.479 3.647 -3.256 1.00 0.00 O ATOM 2009 CB ASP A 124 -21.155 6.812 -3.750 1.00 0.00 C ATOM 2010 CG ASP A 124 -22.362 6.326 -4.539 1.00 0.00 C ATOM 2011 OD1 ASP A 124 -23.505 6.527 -4.076 1.00 0.00 O ATOM 2012 OD2 ASP A 124 -22.177 5.744 -5.630 1.00 0.00 O ATOM 0 H ASP A 124 -19.198 7.220 -2.299 1.00 0.00 H new ATOM 0 HA ASP A 124 -21.569 5.822 -1.885 1.00 0.00 H new ATOM 0 HB2 ASP A 124 -21.372 7.794 -3.331 1.00 0.00 H new ATOM 0 HB3 ASP A 124 -20.309 6.934 -4.427 1.00 0.00 H new ATOM 2017 N ILE A 125 -19.299 4.159 -3.532 1.00 0.00 N ATOM 2018 CA ILE A 125 -18.918 2.858 -4.070 1.00 0.00 C ATOM 2019 C ILE A 125 -19.216 1.752 -3.057 1.00 0.00 C ATOM 2020 O ILE A 125 -19.978 0.826 -3.339 1.00 0.00 O ATOM 2021 CB ILE A 125 -17.407 2.815 -4.458 1.00 0.00 C ATOM 2022 CG1 ILE A 125 -17.114 3.712 -5.682 1.00 0.00 C ATOM 2023 CG2 ILE A 125 -16.952 1.380 -4.728 1.00 0.00 C ATOM 2024 CD1 ILE A 125 -17.270 5.199 -5.427 1.00 0.00 C ATOM 0 H ILE A 125 -18.525 4.820 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 125 -19.508 2.695 -4.972 1.00 0.00 H new ATOM 0 HB ILE A 125 -16.841 3.204 -3.611 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -16.096 3.520 -6.021 1.00 0.00 H new ATOM 0 HG13 ILE A 125 -17.781 3.424 -6.495 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -15.896 1.378 -4.996 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -17.100 0.777 -3.832 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -17.536 0.961 -5.548 1.00 0.00 H new ATOM 0 HD11 ILE A 125 -17.045 5.750 -6.340 1.00 0.00 H new ATOM 0 HD12 ILE A 125 -18.294 5.410 -5.119 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -16.583 5.507 -4.638 1.00 0.00 H new ATOM 2036 N TYR A 126 -18.630 1.871 -1.867 1.00 0.00 N ATOM 2037 CA TYR A 126 -18.789 0.855 -0.830 1.00 0.00 C ATOM 2038 C TYR A 126 -20.240 0.790 -0.357 1.00 0.00 C ATOM 2039 O TYR A 126 -20.777 -0.293 -0.118 1.00 0.00 O ATOM 2040 CB TYR A 126 -17.850 1.136 0.351 1.00 0.00 C ATOM 2041 CG TYR A 126 -17.875 0.063 1.427 1.00 0.00 C ATOM 2042 CD1 TYR A 126 -17.321 -1.193 1.196 1.00 0.00 C ATOM 2043 CD2 TYR A 126 -18.457 0.302 2.669 1.00 0.00 C ATOM 2044 CE1 TYR A 126 -17.343 -2.173 2.170 1.00 0.00 C ATOM 2045 CE2 TYR A 126 -18.482 -0.675 3.646 1.00 0.00 C ATOM 2046 CZ TYR A 126 -17.924 -1.910 3.392 1.00 0.00 C ATOM 2047 OH TYR A 126 -17.952 -2.887 4.363 1.00 0.00 O ATOM 0 H TYR A 126 -18.042 2.660 -1.598 1.00 0.00 H new ATOM 0 HA TYR A 126 -18.524 -0.112 -1.257 1.00 0.00 H new ATOM 0 HB2 TYR A 126 -16.831 1.237 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 126 -18.121 2.092 0.799 1.00 0.00 H new ATOM 0 HD1 TYR A 126 -16.866 -1.405 0.240 1.00 0.00 H new ATOM 0 HD2 TYR A 126 -18.896 1.267 2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 126 -16.907 -3.141 1.975 1.00 0.00 H new ATOM 0 HE2 TYR A 126 -18.937 -0.472 4.604 1.00 0.00 H new ATOM 0 HH TYR A 126 -17.439 -3.665 4.059 1.00 0.00 H new ATOM 2057 N LEU A 127 -20.875 1.955 -0.236 1.00 0.00 N ATOM 2058 CA LEU A 127 -22.277 2.022 0.169 1.00 0.00 C ATOM 2059 C LEU A 127 -23.178 1.348 -0.871 1.00 0.00 C ATOM 2060 O LEU A 127 -24.188 0.737 -0.518 1.00 0.00 O ATOM 2061 CB LEU A 127 -22.708 3.484 0.418 1.00 0.00 C ATOM 2062 CG LEU A 127 -22.602 3.968 1.876 1.00 0.00 C ATOM 2063 CD1 LEU A 127 -23.502 3.136 2.789 1.00 0.00 C ATOM 2064 CD2 LEU A 127 -21.153 3.927 2.356 1.00 0.00 C ATOM 0 H LEU A 127 -20.442 2.862 -0.412 1.00 0.00 H new ATOM 0 HA LEU A 127 -22.386 1.478 1.107 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -22.098 4.136 -0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -23.741 3.601 0.089 1.00 0.00 H new ATOM 0 HG LEU A 127 -22.942 5.003 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -23.412 3.495 3.814 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -24.538 3.229 2.462 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -23.200 2.090 2.743 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -21.102 4.273 3.388 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -20.779 2.905 2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -20.543 4.574 1.726 1.00 0.00 H new ATOM 2076 N ASP A 128 -22.798 1.439 -2.146 1.00 0.00 N ATOM 2077 CA ASP A 128 -23.542 0.780 -3.224 1.00 0.00 C ATOM 2078 C ASP A 128 -23.413 -0.736 -3.106 1.00 0.00 C ATOM 2079 O ASP A 128 -24.349 -1.479 -3.406 1.00 0.00 O ATOM 2080 CB ASP A 128 -23.043 1.246 -4.600 1.00 0.00 C ATOM 2081 CG ASP A 128 -23.780 0.584 -5.762 1.00 0.00 C ATOM 2082 OD1 ASP A 128 -25.003 0.810 -5.909 1.00 0.00 O ATOM 2083 OD2 ASP A 128 -23.135 -0.152 -6.546 1.00 0.00 O ATOM 0 H ASP A 128 -21.980 1.962 -2.459 1.00 0.00 H new ATOM 0 HA ASP A 128 -24.592 1.056 -3.129 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -23.158 2.327 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -21.978 1.032 -4.685 1.00 0.00 H new ATOM 2088 N LEU A 129 -22.245 -1.179 -2.652 1.00 0.00 N ATOM 2089 CA LEU A 129 -21.979 -2.602 -2.445 1.00 0.00 C ATOM 2090 C LEU A 129 -22.662 -3.093 -1.168 1.00 0.00 C ATOM 2091 O LEU A 129 -22.836 -4.295 -0.962 1.00 0.00 O ATOM 2092 CB LEU A 129 -20.464 -2.845 -2.366 1.00 0.00 C ATOM 2093 CG LEU A 129 -19.654 -2.334 -3.571 1.00 0.00 C ATOM 2094 CD1 LEU A 129 -18.159 -2.562 -3.357 1.00 0.00 C ATOM 2095 CD2 LEU A 129 -20.128 -2.996 -4.865 1.00 0.00 C ATOM 0 H LEU A 129 -21.461 -0.570 -2.418 1.00 0.00 H new ATOM 0 HA LEU A 129 -22.384 -3.161 -3.289 1.00 0.00 H new ATOM 0 HB2 LEU A 129 -20.082 -2.368 -1.463 1.00 0.00 H new ATOM 0 HB3 LEU A 129 -20.289 -3.916 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 129 -19.821 -1.261 -3.661 1.00 0.00 H new ATOM 0 HD11 LEU A 129 -17.607 -2.193 -4.222 1.00 0.00 H new ATOM 0 HD12 LEU A 129 -17.834 -2.028 -2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 129 -17.968 -3.628 -3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 129 -19.541 -2.619 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 129 -20.000 -4.076 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 129 -21.181 -2.766 -5.027 1.00 0.00 H new ATOM 2107 N MET A 130 -23.038 -2.146 -0.310 1.00 0.00 N ATOM 2108 CA MET A 130 -23.731 -2.456 0.938 1.00 0.00 C ATOM 2109 C MET A 130 -25.246 -2.431 0.739 1.00 0.00 C ATOM 2110 O MET A 130 -25.892 -3.477 0.688 1.00 0.00 O ATOM 2111 CB MET A 130 -23.324 -1.460 2.041 1.00 0.00 C ATOM 2112 CG MET A 130 -21.896 -1.637 2.560 1.00 0.00 C ATOM 2113 SD MET A 130 -21.806 -2.599 4.092 1.00 0.00 S ATOM 2114 CE MET A 130 -22.562 -4.147 3.603 1.00 0.00 C ATOM 0 H MET A 130 -22.872 -1.151 -0.459 1.00 0.00 H new ATOM 0 HA MET A 130 -23.441 -3.460 1.246 1.00 0.00 H new ATOM 0 HB2 MET A 130 -23.434 -0.446 1.656 1.00 0.00 H new ATOM 0 HB3 MET A 130 -24.016 -1.560 2.877 1.00 0.00 H new ATOM 0 HG2 MET A 130 -21.297 -2.129 1.794 1.00 0.00 H new ATOM 0 HG3 MET A 130 -21.454 -0.655 2.729 1.00 0.00 H new ATOM 0 HE1 MET A 130 -22.414 -4.888 4.388 1.00 0.00 H new ATOM 0 HE2 MET A 130 -23.630 -3.996 3.443 1.00 0.00 H new ATOM 0 HE3 MET A 130 -22.103 -4.500 2.680 1.00 0.00 H new ATOM 2124 N GLU A 131 -25.804 -1.226 0.619 1.00 0.00 N ATOM 2125 CA GLU A 131 -27.252 -1.041 0.515 1.00 0.00 C ATOM 2126 C GLU A 131 -27.578 0.147 -0.388 1.00 0.00 C ATOM 2127 O GLU A 131 -28.558 0.863 -0.155 1.00 0.00 O ATOM 2128 CB GLU A 131 -27.864 -0.811 1.909 1.00 0.00 C ATOM 2129 CG GLU A 131 -27.714 -1.987 2.869 1.00 0.00 C ATOM 2130 CD GLU A 131 -28.359 -1.721 4.218 1.00 0.00 C ATOM 2131 OE1 GLU A 131 -29.580 -1.949 4.355 1.00 0.00 O ATOM 2132 OE2 GLU A 131 -27.653 -1.270 5.146 1.00 0.00 O ATOM 0 H GLU A 131 -25.270 -0.357 0.591 1.00 0.00 H new ATOM 0 HA GLU A 131 -27.679 -1.945 0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -27.398 0.068 2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -28.924 -0.586 1.794 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -28.163 -2.875 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -26.655 -2.203 3.012 1.00 0.00 H new ATOM 2139 N GLY A 132 -26.758 0.352 -1.416 1.00 0.00 N ATOM 2140 CA GLY A 132 -26.969 1.460 -2.332 1.00 0.00 C ATOM 2141 C GLY A 132 -28.133 1.215 -3.273 1.00 0.00 C ATOM 2142 O GLY A 132 -29.295 1.308 -2.873 1.00 0.00 O ATOM 0 H GLY A 132 -25.949 -0.231 -1.631 1.00 0.00 H new ATOM 0 HA2 GLY A 132 -27.151 2.371 -1.761 1.00 0.00 H new ATOM 0 HA3 GLY A 132 -26.062 1.625 -2.914 1.00 0.00 H new ATOM 2146 N ARG A 133 -27.827 0.898 -4.528 1.00 0.00 N ATOM 2147 CA ARG A 133 -28.860 0.639 -5.529 1.00 0.00 C ATOM 2148 C ARG A 133 -29.095 -0.868 -5.676 1.00 0.00 C ATOM 2149 O ARG A 133 -28.200 -1.601 -6.103 1.00 0.00 O ATOM 2150 CB ARG A 133 -28.472 1.256 -6.888 1.00 0.00 C ATOM 2151 CG ARG A 133 -28.671 2.772 -6.976 1.00 0.00 C ATOM 2152 CD ARG A 133 -27.819 3.539 -5.967 1.00 0.00 C ATOM 2153 NE ARG A 133 -26.384 3.309 -6.161 1.00 0.00 N ATOM 2154 CZ ARG A 133 -25.424 4.130 -5.726 1.00 0.00 C ATOM 2155 NH1 ARG A 133 -25.731 5.221 -5.034 1.00 0.00 N ATOM 2156 NH2 ARG A 133 -24.154 3.849 -5.976 1.00 0.00 N ATOM 0 H ARG A 133 -26.872 0.814 -4.877 1.00 0.00 H new ATOM 0 HA ARG A 133 -29.786 1.106 -5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 133 -27.426 1.027 -7.092 1.00 0.00 H new ATOM 0 HB3 ARG A 133 -29.061 0.779 -7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 133 -28.425 3.109 -7.983 1.00 0.00 H new ATOM 0 HG3 ARG A 133 -29.722 3.006 -6.810 1.00 0.00 H new ATOM 0 HD2 ARG A 133 -28.029 4.605 -6.054 1.00 0.00 H new ATOM 0 HD3 ARG A 133 -28.099 3.240 -4.957 1.00 0.00 H new ATOM 0 HE ARG A 133 -26.100 2.467 -6.661 1.00 0.00 H new ATOM 0 HH11 ARG A 133 -26.707 5.438 -4.830 1.00 0.00 H new ATOM 0 HH12 ARG A 133 -24.991 5.842 -4.706 1.00 0.00 H new ATOM 0 HH21 ARG A 133 -23.911 3.008 -6.499 1.00 0.00 H new ATOM 0 HH22 ARG A 133 -23.419 4.474 -5.645 1.00 0.00 H new ATOM 2170 N PRO A 134 -30.299 -1.354 -5.307 1.00 0.00 N ATOM 2171 CA PRO A 134 -30.644 -2.776 -5.423 1.00 0.00 C ATOM 2172 C PRO A 134 -30.689 -3.230 -6.883 1.00 0.00 C ATOM 2173 O PRO A 134 -31.462 -2.703 -7.687 1.00 0.00 O ATOM 2174 CB PRO A 134 -32.037 -2.868 -4.774 1.00 0.00 C ATOM 2175 CG PRO A 134 -32.594 -1.485 -4.871 1.00 0.00 C ATOM 2176 CD PRO A 134 -31.413 -0.560 -4.753 1.00 0.00 C ATOM 0 HA PRO A 134 -29.907 -3.421 -4.945 1.00 0.00 H new ATOM 0 HB2 PRO A 134 -32.670 -3.587 -5.295 1.00 0.00 H new ATOM 0 HB3 PRO A 134 -31.969 -3.196 -3.737 1.00 0.00 H new ATOM 0 HG2 PRO A 134 -33.113 -1.338 -5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 134 -33.318 -1.298 -4.078 1.00 0.00 H new ATOM 0 HD2 PRO A 134 -31.567 0.362 -5.314 1.00 0.00 H new ATOM 0 HD3 PRO A 134 -31.227 -0.276 -3.717 1.00 0.00 H new TER 2184 PRO A 134