USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 882 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 163:sc= -0.18 (180deg=-0.749) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.347 K(o=-0.35,f=-1.8!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= 0.546 F(o=0,f=0.55) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.08 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0493 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0589 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= -0.235 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.346) USER MOD Single : A 54 TYR OH : rot 166:sc= 0.76 USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.907 F(o=-1.9,f=-0.91) USER MOD Single : A 59 CYS SG : rot 180:sc= -1.91! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.208 X(o=-0.21,f=-0.64) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 142:sc= 0.0214 (180deg=-0.531) USER MOD Single : A 86 THR OG1 : rot -160:sc= -2.34! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -16.341 -18.669 -59.130 1.00 0.00 N ATOM 2 CA MET A 1 -17.111 -19.782 -58.504 1.00 0.00 C ATOM 3 C MET A 1 -18.427 -19.982 -59.260 1.00 0.00 C ATOM 4 O MET A 1 -19.379 -19.252 -59.072 1.00 0.00 O ATOM 5 CB MET A 1 -17.411 -19.438 -57.044 1.00 0.00 C ATOM 6 CG MET A 1 -17.622 -17.930 -56.907 1.00 0.00 C ATOM 7 SD MET A 1 -18.262 -17.557 -55.256 1.00 0.00 S ATOM 8 CE MET A 1 -18.210 -15.754 -55.396 1.00 0.00 C ATOM 0 H1 MET A 1 -15.607 -18.341 -58.470 1.00 0.00 H new ATOM 0 H2 MET A 1 -15.893 -19.006 -60.006 1.00 0.00 H new ATOM 0 H3 MET A 1 -16.985 -17.883 -59.351 1.00 0.00 H new ATOM 0 HA MET A 1 -16.523 -20.699 -58.548 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.300 -19.972 -56.709 1.00 0.00 H new ATOM 0 HB3 MET A 1 -16.587 -19.760 -56.407 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.681 -17.404 -57.071 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.320 -17.579 -57.667 1.00 0.00 H new ATOM 0 HE1 MET A 1 -18.570 -15.307 -54.469 1.00 0.00 H new ATOM 0 HE2 MET A 1 -17.185 -15.433 -55.580 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.844 -15.435 -56.223 1.00 0.00 H new ATOM 20 N THR A 2 -18.487 -20.967 -60.113 1.00 0.00 N ATOM 21 CA THR A 2 -19.741 -21.215 -60.878 1.00 0.00 C ATOM 22 C THR A 2 -20.092 -22.702 -60.808 1.00 0.00 C ATOM 23 O THR A 2 -21.183 -23.074 -60.426 1.00 0.00 O ATOM 24 CB THR A 2 -19.536 -20.806 -62.340 1.00 0.00 C ATOM 25 OG1 THR A 2 -19.376 -19.396 -62.416 1.00 0.00 O ATOM 26 CG2 THR A 2 -20.752 -21.229 -63.164 1.00 0.00 C ATOM 0 H THR A 2 -17.722 -21.611 -60.313 1.00 0.00 H new ATOM 0 HA THR A 2 -20.553 -20.629 -60.448 1.00 0.00 H new ATOM 0 HB THR A 2 -18.645 -21.295 -62.735 1.00 0.00 H new ATOM 0 HG1 THR A 2 -19.243 -19.132 -63.350 1.00 0.00 H new ATOM 0 HG21 THR A 2 -20.606 -20.938 -64.204 1.00 0.00 H new ATOM 0 HG22 THR A 2 -20.874 -22.310 -63.104 1.00 0.00 H new ATOM 0 HG23 THR A 2 -21.644 -20.741 -62.773 1.00 0.00 H new ATOM 34 N VAL A 3 -19.175 -23.556 -61.174 1.00 0.00 N ATOM 35 CA VAL A 3 -19.459 -25.018 -61.125 1.00 0.00 C ATOM 36 C VAL A 3 -18.298 -25.738 -60.434 1.00 0.00 C ATOM 37 O VAL A 3 -17.883 -26.804 -60.845 1.00 0.00 O ATOM 38 CB VAL A 3 -19.622 -25.554 -62.548 1.00 0.00 C ATOM 39 CG1 VAL A 3 -21.008 -25.179 -63.078 1.00 0.00 C ATOM 40 CG2 VAL A 3 -18.551 -24.940 -63.451 1.00 0.00 C ATOM 0 H VAL A 3 -18.243 -23.305 -61.504 1.00 0.00 H new ATOM 0 HA VAL A 3 -20.378 -25.193 -60.566 1.00 0.00 H new ATOM 0 HB VAL A 3 -19.515 -26.639 -62.541 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -21.125 -25.561 -64.092 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -21.773 -25.615 -62.436 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -21.114 -24.094 -63.084 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -18.667 -25.322 -64.465 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -18.659 -23.855 -63.457 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -17.563 -25.204 -63.075 1.00 0.00 H new ATOM 50 N ILE A 4 -17.772 -25.164 -59.386 1.00 0.00 N ATOM 51 CA ILE A 4 -16.640 -25.813 -58.667 1.00 0.00 C ATOM 52 C ILE A 4 -17.171 -26.970 -57.817 1.00 0.00 C ATOM 53 O ILE A 4 -16.464 -27.914 -57.526 1.00 0.00 O ATOM 54 CB ILE A 4 -15.958 -24.787 -57.759 1.00 0.00 C ATOM 55 CG1 ILE A 4 -14.671 -25.387 -57.188 1.00 0.00 C ATOM 56 CG2 ILE A 4 -16.900 -24.417 -56.612 1.00 0.00 C ATOM 57 CD1 ILE A 4 -13.626 -25.505 -58.299 1.00 0.00 C ATOM 0 H ILE A 4 -18.078 -24.272 -58.997 1.00 0.00 H new ATOM 0 HA ILE A 4 -15.921 -26.194 -59.392 1.00 0.00 H new ATOM 0 HB ILE A 4 -15.718 -23.894 -58.336 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -14.291 -24.759 -56.382 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -14.874 -26.368 -56.759 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -16.415 -23.686 -55.964 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -17.817 -23.990 -57.018 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -17.139 -25.310 -56.035 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -12.709 -25.932 -57.892 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -14.007 -26.150 -59.090 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -13.416 -24.516 -58.707 1.00 0.00 H new ATOM 69 N LYS A 5 -18.412 -26.904 -57.417 1.00 0.00 N ATOM 70 CA LYS A 5 -18.985 -28.000 -56.585 1.00 0.00 C ATOM 71 C LYS A 5 -20.490 -27.775 -56.406 1.00 0.00 C ATOM 72 O LYS A 5 -20.948 -27.510 -55.312 1.00 0.00 O ATOM 73 CB LYS A 5 -18.305 -28.009 -55.216 1.00 0.00 C ATOM 74 CG LYS A 5 -17.389 -29.230 -55.107 1.00 0.00 C ATOM 75 CD LYS A 5 -16.891 -29.367 -53.667 1.00 0.00 C ATOM 76 CE LYS A 5 -15.853 -30.489 -53.591 1.00 0.00 C ATOM 77 NZ LYS A 5 -16.363 -31.578 -52.711 1.00 0.00 N ATOM 0 H LYS A 5 -19.053 -26.140 -57.630 1.00 0.00 H new ATOM 0 HA LYS A 5 -18.818 -28.956 -57.081 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -17.727 -27.095 -55.079 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -19.055 -28.033 -54.426 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -17.928 -30.130 -55.404 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -16.544 -29.126 -55.787 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -16.452 -28.427 -53.332 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -17.726 -29.584 -53.001 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -15.649 -30.878 -54.588 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -14.912 -30.102 -53.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -15.658 -32.341 -52.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -16.537 -31.201 -51.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -17.251 -31.953 -53.102 1.00 0.00 H new ATOM 91 N PRO A 6 -21.214 -27.891 -57.490 1.00 0.00 N ATOM 92 CA PRO A 6 -22.675 -27.708 -57.492 1.00 0.00 C ATOM 93 C PRO A 6 -23.371 -28.959 -56.946 1.00 0.00 C ATOM 94 O PRO A 6 -24.350 -28.875 -56.231 1.00 0.00 O ATOM 95 CB PRO A 6 -23.008 -27.501 -58.972 1.00 0.00 C ATOM 96 CG PRO A 6 -21.844 -28.131 -59.774 1.00 0.00 C ATOM 97 CD PRO A 6 -20.642 -28.214 -58.814 1.00 0.00 C ATOM 0 HA PRO A 6 -23.005 -26.879 -56.866 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -23.956 -27.975 -59.227 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -23.109 -26.441 -59.203 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -22.117 -29.121 -60.140 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -21.602 -27.524 -60.647 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -20.193 -29.207 -58.823 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -19.860 -27.508 -59.093 1.00 0.00 H new ATOM 105 N SER A 7 -22.872 -30.118 -57.277 1.00 0.00 N ATOM 106 CA SER A 7 -23.505 -31.372 -56.779 1.00 0.00 C ATOM 107 C SER A 7 -23.189 -31.550 -55.293 1.00 0.00 C ATOM 108 O SER A 7 -22.043 -31.561 -54.888 1.00 0.00 O ATOM 109 CB SER A 7 -22.957 -32.566 -57.563 1.00 0.00 C ATOM 110 OG SER A 7 -23.917 -32.973 -58.529 1.00 0.00 O ATOM 0 H SER A 7 -22.053 -30.251 -57.871 1.00 0.00 H new ATOM 0 HA SER A 7 -24.585 -31.312 -56.915 1.00 0.00 H new ATOM 0 HB2 SER A 7 -22.022 -32.295 -58.054 1.00 0.00 H new ATOM 0 HB3 SER A 7 -22.734 -33.390 -56.885 1.00 0.00 H new ATOM 0 HG SER A 7 -23.569 -33.737 -59.035 1.00 0.00 H new ATOM 116 N SER A 8 -24.197 -31.690 -54.475 1.00 0.00 N ATOM 117 CA SER A 8 -23.956 -31.868 -53.015 1.00 0.00 C ATOM 118 C SER A 8 -24.501 -33.227 -52.572 1.00 0.00 C ATOM 119 O SER A 8 -25.484 -33.712 -53.095 1.00 0.00 O ATOM 120 CB SER A 8 -24.666 -30.756 -52.242 1.00 0.00 C ATOM 121 OG SER A 8 -26.029 -30.702 -52.643 1.00 0.00 O ATOM 0 H SER A 8 -25.178 -31.689 -54.755 1.00 0.00 H new ATOM 0 HA SER A 8 -22.886 -31.823 -52.814 1.00 0.00 H new ATOM 0 HB2 SER A 8 -24.597 -30.941 -51.170 1.00 0.00 H new ATOM 0 HB3 SER A 8 -24.181 -29.798 -52.432 1.00 0.00 H new ATOM 0 HG SER A 8 -26.488 -29.991 -52.148 1.00 0.00 H new ATOM 127 N ARG A 9 -23.872 -33.847 -51.611 1.00 0.00 N ATOM 128 CA ARG A 9 -24.360 -35.174 -51.138 1.00 0.00 C ATOM 129 C ARG A 9 -23.911 -35.399 -49.692 1.00 0.00 C ATOM 130 O ARG A 9 -22.885 -36.003 -49.449 1.00 0.00 O ATOM 131 CB ARG A 9 -23.781 -36.276 -52.028 1.00 0.00 C ATOM 132 CG ARG A 9 -24.336 -37.633 -51.585 1.00 0.00 C ATOM 133 CD ARG A 9 -25.781 -37.775 -52.066 1.00 0.00 C ATOM 134 NE ARG A 9 -26.258 -39.163 -51.807 1.00 0.00 N ATOM 135 CZ ARG A 9 -26.063 -40.098 -52.698 1.00 0.00 C ATOM 136 NH1 ARG A 9 -24.875 -40.617 -52.849 1.00 0.00 N ATOM 137 NH2 ARG A 9 -27.056 -40.513 -53.436 1.00 0.00 N ATOM 0 H ARG A 9 -23.043 -33.493 -51.134 1.00 0.00 H new ATOM 0 HA ARG A 9 -25.449 -35.199 -51.188 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -24.038 -36.089 -53.071 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -22.693 -36.277 -51.963 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -23.725 -38.438 -51.993 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -24.293 -37.719 -50.499 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -26.419 -37.058 -51.550 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -25.845 -37.550 -53.131 1.00 0.00 H new ATOM 0 HE ARG A 9 -26.737 -39.383 -50.934 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -24.099 -40.292 -52.271 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -24.722 -41.347 -53.545 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -27.984 -40.107 -53.317 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -26.904 -41.243 -54.132 1.00 0.00 H new ATOM 151 N PRO A 10 -24.700 -34.905 -48.773 1.00 0.00 N ATOM 152 CA PRO A 10 -24.417 -35.033 -47.334 1.00 0.00 C ATOM 153 C PRO A 10 -24.790 -36.434 -46.840 1.00 0.00 C ATOM 154 O PRO A 10 -25.921 -36.863 -46.954 1.00 0.00 O ATOM 155 CB PRO A 10 -25.318 -33.970 -46.696 1.00 0.00 C ATOM 156 CG PRO A 10 -26.454 -33.694 -47.710 1.00 0.00 C ATOM 157 CD PRO A 10 -25.945 -34.172 -49.083 1.00 0.00 C ATOM 0 HA PRO A 10 -23.364 -34.895 -47.088 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -25.722 -34.322 -45.747 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -24.756 -33.060 -46.485 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -27.363 -34.225 -47.427 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -26.700 -32.633 -47.736 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -26.674 -34.815 -49.576 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -25.757 -33.333 -49.752 1.00 0.00 H new ATOM 165 N ARG A 11 -23.847 -37.150 -46.291 1.00 0.00 N ATOM 166 CA ARG A 11 -24.147 -38.521 -45.788 1.00 0.00 C ATOM 167 C ARG A 11 -22.881 -39.129 -45.173 1.00 0.00 C ATOM 168 O ARG A 11 -22.873 -39.476 -44.009 1.00 0.00 O ATOM 169 CB ARG A 11 -24.644 -39.398 -46.940 1.00 0.00 C ATOM 170 CG ARG A 11 -26.162 -39.563 -46.843 1.00 0.00 C ATOM 171 CD ARG A 11 -26.800 -39.211 -48.188 1.00 0.00 C ATOM 172 NE ARG A 11 -28.280 -39.348 -48.088 1.00 0.00 N ATOM 173 CZ ARG A 11 -29.051 -38.728 -48.939 1.00 0.00 C ATOM 174 NH1 ARG A 11 -28.985 -37.431 -49.054 1.00 0.00 N ATOM 175 NH2 ARG A 11 -29.889 -39.408 -49.674 1.00 0.00 N ATOM 0 H ARG A 11 -22.881 -36.845 -46.169 1.00 0.00 H new ATOM 0 HA ARG A 11 -24.924 -38.466 -45.026 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -24.378 -38.946 -47.895 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -24.159 -40.374 -46.903 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -26.410 -40.588 -46.568 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -26.559 -38.917 -46.060 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -26.537 -38.192 -48.471 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -26.415 -39.868 -48.968 1.00 0.00 H new ATOM 0 HE ARG A 11 -28.691 -39.926 -47.355 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -28.331 -36.901 -48.479 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -29.588 -36.947 -49.719 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -29.940 -40.423 -49.583 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -30.492 -38.925 -50.340 1.00 0.00 H new ATOM 189 N PRO A 12 -21.841 -39.232 -45.967 1.00 0.00 N ATOM 190 CA PRO A 12 -20.554 -39.787 -45.508 1.00 0.00 C ATOM 191 C PRO A 12 -19.808 -38.756 -44.654 1.00 0.00 C ATOM 192 O PRO A 12 -18.866 -38.132 -45.101 1.00 0.00 O ATOM 193 CB PRO A 12 -19.797 -40.069 -46.808 1.00 0.00 C ATOM 194 CG PRO A 12 -20.431 -39.158 -47.884 1.00 0.00 C ATOM 195 CD PRO A 12 -21.845 -38.808 -47.385 1.00 0.00 C ATOM 0 HA PRO A 12 -20.666 -40.676 -44.888 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -18.734 -39.855 -46.694 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -19.882 -41.119 -47.088 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -19.836 -38.256 -48.028 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -20.475 -39.668 -48.847 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -22.050 -37.742 -47.482 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -22.611 -39.333 -47.956 1.00 0.00 H new ATOM 203 N ARG A 13 -20.225 -38.572 -43.432 1.00 0.00 N ATOM 204 CA ARG A 13 -19.541 -37.580 -42.555 1.00 0.00 C ATOM 205 C ARG A 13 -18.323 -38.231 -41.897 1.00 0.00 C ATOM 206 O ARG A 13 -18.446 -39.156 -41.120 1.00 0.00 O ATOM 207 CB ARG A 13 -20.512 -37.103 -41.473 1.00 0.00 C ATOM 208 CG ARG A 13 -21.763 -36.518 -42.131 1.00 0.00 C ATOM 209 CD ARG A 13 -21.409 -35.197 -42.815 1.00 0.00 C ATOM 210 NE ARG A 13 -21.003 -34.200 -41.785 1.00 0.00 N ATOM 211 CZ ARG A 13 -20.235 -33.197 -42.115 1.00 0.00 C ATOM 212 NH1 ARG A 13 -18.985 -33.408 -42.422 1.00 0.00 N ATOM 213 NH2 ARG A 13 -20.719 -31.986 -42.137 1.00 0.00 N ATOM 0 H ARG A 13 -21.008 -39.065 -43.003 1.00 0.00 H new ATOM 0 HA ARG A 13 -19.216 -36.729 -43.154 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -20.785 -37.934 -40.823 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -20.033 -36.351 -40.845 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -22.166 -37.221 -42.860 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -22.539 -36.356 -41.382 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -20.599 -35.350 -43.528 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -22.265 -34.826 -43.379 1.00 0.00 H new ATOM 0 HE ARG A 13 -21.325 -34.301 -40.822 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -18.608 -34.356 -42.404 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -18.384 -32.625 -42.680 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -21.697 -31.823 -41.896 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -20.120 -31.202 -42.395 1.00 0.00 H new ATOM 227 N LYS A 14 -17.147 -37.754 -42.202 1.00 0.00 N ATOM 228 CA LYS A 14 -15.921 -38.345 -41.593 1.00 0.00 C ATOM 229 C LYS A 14 -16.069 -38.369 -40.071 1.00 0.00 C ATOM 230 O LYS A 14 -16.788 -37.577 -39.494 1.00 0.00 O ATOM 231 CB LYS A 14 -14.705 -37.498 -41.974 1.00 0.00 C ATOM 232 CG LYS A 14 -13.672 -38.379 -42.680 1.00 0.00 C ATOM 233 CD LYS A 14 -14.229 -38.835 -44.030 1.00 0.00 C ATOM 234 CE LYS A 14 -13.600 -40.176 -44.415 1.00 0.00 C ATOM 235 NZ LYS A 14 -14.581 -41.273 -44.174 1.00 0.00 N ATOM 0 H LYS A 14 -16.982 -36.981 -42.846 1.00 0.00 H new ATOM 0 HA LYS A 14 -15.786 -39.362 -41.961 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -15.008 -36.680 -42.627 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.267 -37.049 -41.083 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -12.744 -37.825 -42.825 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.433 -39.244 -42.062 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.313 -38.933 -43.974 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -14.015 -38.088 -44.795 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.303 -40.163 -45.464 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -12.696 -40.347 -43.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -14.154 -42.184 -44.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -14.843 -41.290 -43.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -15.431 -41.111 -44.750 1.00 0.00 H new ATOM 249 N ASN A 15 -15.394 -39.272 -39.414 1.00 0.00 N ATOM 250 CA ASN A 15 -15.497 -39.345 -37.930 1.00 0.00 C ATOM 251 C ASN A 15 -14.571 -38.298 -37.304 1.00 0.00 C ATOM 252 O ASN A 15 -13.381 -38.507 -37.175 1.00 0.00 O ATOM 253 CB ASN A 15 -15.082 -40.740 -37.459 1.00 0.00 C ATOM 254 CG ASN A 15 -16.274 -41.430 -36.793 1.00 0.00 C ATOM 255 OD1 ASN A 15 -16.864 -42.328 -37.359 1.00 0.00 O ATOM 256 ND2 ASN A 15 -16.655 -41.046 -35.606 1.00 0.00 N ATOM 0 H ASN A 15 -14.776 -39.962 -39.841 1.00 0.00 H new ATOM 0 HA ASN A 15 -16.525 -39.150 -37.626 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -14.732 -41.332 -38.305 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -14.252 -40.666 -36.756 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -17.448 -41.500 -35.153 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -16.160 -40.292 -35.130 1.00 0.00 H new ATOM 263 N LYS A 16 -15.108 -37.174 -36.917 1.00 0.00 N ATOM 264 CA LYS A 16 -14.258 -36.114 -36.304 1.00 0.00 C ATOM 265 C LYS A 16 -14.141 -36.355 -34.798 1.00 0.00 C ATOM 266 O LYS A 16 -15.124 -36.558 -34.112 1.00 0.00 O ATOM 267 CB LYS A 16 -14.892 -34.744 -36.554 1.00 0.00 C ATOM 268 CG LYS A 16 -14.045 -33.660 -35.884 1.00 0.00 C ATOM 269 CD LYS A 16 -13.623 -32.623 -36.926 1.00 0.00 C ATOM 270 CE LYS A 16 -14.856 -32.126 -37.681 1.00 0.00 C ATOM 271 NZ LYS A 16 -15.108 -30.699 -37.334 1.00 0.00 N ATOM 0 H LYS A 16 -16.098 -36.943 -36.999 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.265 -36.143 -36.752 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.963 -34.554 -37.625 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.907 -34.724 -36.158 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -14.614 -33.180 -35.088 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.164 -34.106 -35.422 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -13.120 -31.787 -36.440 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -12.909 -33.062 -37.623 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.704 -32.229 -38.755 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.723 -32.733 -37.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.947 -30.360 -37.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -15.271 -30.614 -36.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -14.283 -30.126 -37.602 1.00 0.00 H new ATOM 285 N ASN A 17 -12.945 -36.329 -34.277 1.00 0.00 N ATOM 286 CA ASN A 17 -12.762 -36.551 -32.815 1.00 0.00 C ATOM 287 C ASN A 17 -12.216 -35.274 -32.175 1.00 0.00 C ATOM 288 O ASN A 17 -12.493 -34.971 -31.031 1.00 0.00 O ATOM 289 CB ASN A 17 -11.771 -37.696 -32.591 1.00 0.00 C ATOM 290 CG ASN A 17 -12.407 -38.753 -31.688 1.00 0.00 C ATOM 291 OD1 ASN A 17 -13.609 -38.930 -31.693 1.00 0.00 O ATOM 292 ND2 ASN A 17 -11.645 -39.468 -30.906 1.00 0.00 N ATOM 0 H ASN A 17 -12.086 -36.163 -34.801 1.00 0.00 H new ATOM 0 HA ASN A 17 -13.720 -36.808 -32.363 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -11.490 -38.140 -33.546 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -10.857 -37.316 -32.135 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -12.059 -40.176 -30.299 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -10.636 -39.319 -30.902 1.00 0.00 H new ATOM 299 N ILE A 18 -11.443 -34.519 -32.908 1.00 0.00 N ATOM 300 CA ILE A 18 -10.881 -33.259 -32.344 1.00 0.00 C ATOM 301 C ILE A 18 -12.026 -32.327 -31.950 1.00 0.00 C ATOM 302 O ILE A 18 -12.516 -31.555 -32.751 1.00 0.00 O ATOM 303 CB ILE A 18 -10.006 -32.575 -33.397 1.00 0.00 C ATOM 304 CG1 ILE A 18 -9.023 -33.592 -33.980 1.00 0.00 C ATOM 305 CG2 ILE A 18 -9.228 -31.430 -32.749 1.00 0.00 C ATOM 306 CD1 ILE A 18 -8.329 -34.343 -32.843 1.00 0.00 C ATOM 0 H ILE A 18 -11.177 -34.720 -33.872 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.278 -33.489 -31.465 1.00 0.00 H new ATOM 0 HB ILE A 18 -10.637 -32.180 -34.193 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -9.551 -34.295 -34.625 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -8.283 -33.085 -34.599 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.605 -30.943 -33.499 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -9.927 -30.705 -32.332 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -8.596 -31.824 -31.953 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -7.629 -35.067 -33.259 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -7.788 -33.634 -32.216 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -9.075 -34.863 -32.242 1.00 0.00 H new ATOM 318 N LYS A 19 -12.459 -32.391 -30.721 1.00 0.00 N ATOM 319 CA LYS A 19 -13.574 -31.509 -30.278 1.00 0.00 C ATOM 320 C LYS A 19 -13.726 -31.603 -28.759 1.00 0.00 C ATOM 321 O LYS A 19 -14.024 -30.632 -28.094 1.00 0.00 O ATOM 322 CB LYS A 19 -14.874 -31.958 -30.949 1.00 0.00 C ATOM 323 CG LYS A 19 -15.879 -30.804 -30.940 1.00 0.00 C ATOM 324 CD LYS A 19 -16.356 -30.534 -32.368 1.00 0.00 C ATOM 325 CE LYS A 19 -17.558 -29.588 -32.334 1.00 0.00 C ATOM 326 NZ LYS A 19 -17.081 -28.179 -32.416 1.00 0.00 N ATOM 0 H LYS A 19 -12.089 -33.016 -30.005 1.00 0.00 H new ATOM 0 HA LYS A 19 -13.356 -30.478 -30.558 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.677 -32.274 -31.973 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.288 -32.819 -30.424 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -16.728 -31.051 -30.302 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -15.417 -29.909 -30.524 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -15.550 -30.094 -32.955 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.630 -31.470 -32.854 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.229 -29.805 -33.165 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.127 -29.738 -31.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.897 -27.534 -32.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -16.457 -27.976 -31.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.556 -28.041 -33.303 1.00 0.00 H new ATOM 340 N VAL A 20 -13.523 -32.767 -28.206 1.00 0.00 N ATOM 341 CA VAL A 20 -13.655 -32.924 -26.731 1.00 0.00 C ATOM 342 C VAL A 20 -12.268 -32.879 -26.087 1.00 0.00 C ATOM 343 O VAL A 20 -11.323 -33.456 -26.585 1.00 0.00 O ATOM 344 CB VAL A 20 -14.321 -34.265 -26.419 1.00 0.00 C ATOM 345 CG1 VAL A 20 -13.588 -35.383 -27.161 1.00 0.00 C ATOM 346 CG2 VAL A 20 -14.257 -34.526 -24.913 1.00 0.00 C ATOM 0 H VAL A 20 -13.271 -33.616 -28.712 1.00 0.00 H new ATOM 0 HA VAL A 20 -14.266 -32.114 -26.332 1.00 0.00 H new ATOM 0 HB VAL A 20 -15.362 -34.238 -26.740 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -14.062 -36.339 -26.939 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -13.632 -35.197 -28.234 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -12.547 -35.411 -26.840 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -14.731 -35.481 -24.689 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -13.216 -34.554 -24.592 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -14.779 -33.729 -24.383 1.00 0.00 H new ATOM 356 N ASN A 21 -12.141 -32.198 -24.983 1.00 0.00 N ATOM 357 CA ASN A 21 -10.816 -32.114 -24.308 1.00 0.00 C ATOM 358 C ASN A 21 -10.983 -31.431 -22.949 1.00 0.00 C ATOM 359 O ASN A 21 -11.912 -30.678 -22.733 1.00 0.00 O ATOM 360 CB ASN A 21 -9.851 -31.301 -25.173 1.00 0.00 C ATOM 361 CG ASN A 21 -8.565 -32.100 -25.392 1.00 0.00 C ATOM 362 OD1 ASN A 21 -7.505 -31.812 -24.687 1.00 0.00 O flip ATOM 363 ND2 ASN A 21 -8.523 -32.994 -26.215 1.00 0.00 N flip ATOM 0 H ASN A 21 -12.898 -31.696 -24.519 1.00 0.00 H new ATOM 0 HA ASN A 21 -10.415 -33.118 -24.166 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -10.314 -31.067 -26.132 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.624 -30.351 -24.689 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.351 -33.219 -26.766 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.660 -33.519 -26.354 1.00 0.00 H new ATOM 370 N THR A 22 -10.091 -31.686 -22.032 1.00 0.00 N ATOM 371 CA THR A 22 -10.203 -31.050 -20.690 1.00 0.00 C ATOM 372 C THR A 22 -8.916 -31.295 -19.900 1.00 0.00 C ATOM 373 O THR A 22 -8.944 -31.751 -18.775 1.00 0.00 O ATOM 374 CB THR A 22 -11.388 -31.657 -19.934 1.00 0.00 C ATOM 375 OG1 THR A 22 -12.135 -32.484 -20.816 1.00 0.00 O ATOM 376 CG2 THR A 22 -12.281 -30.537 -19.400 1.00 0.00 C ATOM 0 H THR A 22 -9.291 -32.306 -22.154 1.00 0.00 H new ATOM 0 HA THR A 22 -10.358 -29.978 -20.809 1.00 0.00 H new ATOM 0 HB THR A 22 -11.022 -32.254 -19.099 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.894 -32.875 -20.334 1.00 0.00 H new ATOM 0 HG21 THR A 22 -13.125 -30.969 -18.862 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.706 -29.904 -18.724 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.650 -29.938 -20.232 1.00 0.00 H new ATOM 384 N TYR A 23 -7.786 -30.996 -20.481 1.00 0.00 N ATOM 385 CA TYR A 23 -6.499 -31.215 -19.760 1.00 0.00 C ATOM 386 C TYR A 23 -5.717 -29.902 -19.692 1.00 0.00 C ATOM 387 O TYR A 23 -4.752 -29.705 -20.404 1.00 0.00 O ATOM 388 CB TYR A 23 -5.670 -32.265 -20.504 1.00 0.00 C ATOM 389 CG TYR A 23 -5.084 -33.237 -19.509 1.00 0.00 C ATOM 390 CD1 TYR A 23 -5.912 -34.173 -18.876 1.00 0.00 C ATOM 391 CD2 TYR A 23 -3.714 -33.202 -19.217 1.00 0.00 C ATOM 392 CE1 TYR A 23 -5.369 -35.076 -17.952 1.00 0.00 C ATOM 393 CE2 TYR A 23 -3.171 -34.103 -18.292 1.00 0.00 C ATOM 394 CZ TYR A 23 -3.999 -35.040 -17.659 1.00 0.00 C ATOM 395 OH TYR A 23 -3.465 -35.928 -16.748 1.00 0.00 O ATOM 0 H TYR A 23 -7.698 -30.611 -21.421 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.707 -31.564 -18.748 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.295 -32.795 -21.223 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -4.873 -31.782 -21.070 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -6.968 -34.199 -19.100 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.076 -32.480 -19.705 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -6.006 -35.800 -17.466 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -2.115 -34.076 -18.067 1.00 0.00 H new ATOM 0 HH TYR A 23 -2.502 -35.769 -16.662 1.00 0.00 H new ATOM 405 N ARG A 24 -6.123 -29.003 -18.837 1.00 0.00 N ATOM 406 CA ARG A 24 -5.401 -27.704 -18.722 1.00 0.00 C ATOM 407 C ARG A 24 -5.785 -27.024 -17.407 1.00 0.00 C ATOM 408 O ARG A 24 -6.289 -25.919 -17.391 1.00 0.00 O ATOM 409 CB ARG A 24 -5.784 -26.801 -19.896 1.00 0.00 C ATOM 410 CG ARG A 24 -7.261 -26.414 -19.784 1.00 0.00 C ATOM 411 CD ARG A 24 -7.375 -24.914 -19.504 1.00 0.00 C ATOM 412 NE ARG A 24 -8.207 -24.272 -20.561 1.00 0.00 N ATOM 413 CZ ARG A 24 -8.216 -22.973 -20.685 1.00 0.00 C ATOM 414 NH1 ARG A 24 -8.980 -22.249 -19.912 1.00 0.00 N ATOM 415 NH2 ARG A 24 -7.464 -22.397 -21.582 1.00 0.00 N ATOM 0 H ARG A 24 -6.923 -29.112 -18.214 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.326 -27.882 -18.739 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.162 -25.906 -19.898 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.603 -27.317 -20.839 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -7.784 -26.663 -20.707 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.737 -26.981 -18.984 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.823 -24.749 -18.524 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.384 -24.461 -19.482 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.769 -24.848 -21.187 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.569 -22.699 -19.212 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.987 -21.234 -20.009 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.868 -22.962 -22.187 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.472 -21.382 -21.678 1.00 0.00 H new ATOM 429 N THR A 25 -5.552 -27.678 -16.301 1.00 0.00 N ATOM 430 CA THR A 25 -5.904 -27.071 -14.987 1.00 0.00 C ATOM 431 C THR A 25 -5.341 -25.652 -14.911 1.00 0.00 C ATOM 432 O THR A 25 -4.534 -25.249 -15.724 1.00 0.00 O ATOM 433 CB THR A 25 -5.309 -27.918 -13.859 1.00 0.00 C ATOM 434 OG1 THR A 25 -5.788 -27.440 -12.608 1.00 0.00 O ATOM 435 CG2 THR A 25 -3.783 -27.818 -13.895 1.00 0.00 C ATOM 0 H THR A 25 -5.133 -28.607 -16.252 1.00 0.00 H new ATOM 0 HA THR A 25 -6.988 -27.036 -14.883 1.00 0.00 H new ATOM 0 HB THR A 25 -5.606 -28.959 -13.989 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.410 -27.982 -11.884 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.360 -28.421 -13.092 1.00 0.00 H new ATOM 0 HG22 THR A 25 -3.417 -28.183 -14.855 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.483 -26.778 -13.764 1.00 0.00 H new ATOM 443 N SER A 26 -5.761 -24.889 -13.938 1.00 0.00 N ATOM 444 CA SER A 26 -5.252 -23.495 -13.807 1.00 0.00 C ATOM 445 C SER A 26 -4.115 -23.460 -12.781 1.00 0.00 C ATOM 446 O SER A 26 -3.568 -24.479 -12.412 1.00 0.00 O ATOM 447 CB SER A 26 -6.387 -22.581 -13.343 1.00 0.00 C ATOM 448 OG SER A 26 -7.450 -23.376 -12.833 1.00 0.00 O ATOM 0 H SER A 26 -6.436 -25.172 -13.227 1.00 0.00 H new ATOM 0 HA SER A 26 -4.880 -23.151 -14.772 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.028 -21.897 -12.574 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.740 -21.970 -14.174 1.00 0.00 H new ATOM 0 HG SER A 26 -8.179 -22.794 -12.533 1.00 0.00 H new ATOM 454 N ALA A 27 -3.756 -22.293 -12.319 1.00 0.00 N ATOM 455 CA ALA A 27 -2.657 -22.194 -11.317 1.00 0.00 C ATOM 456 C ALA A 27 -3.215 -21.659 -9.997 1.00 0.00 C ATOM 457 O ALA A 27 -4.388 -21.364 -9.882 1.00 0.00 O ATOM 458 CB ALA A 27 -1.578 -21.242 -11.837 1.00 0.00 C ATOM 0 H ALA A 27 -4.176 -21.405 -12.592 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.224 -23.181 -11.154 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.774 -21.169 -11.105 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.179 -21.623 -12.777 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.011 -20.255 -12.000 1.00 0.00 H new ATOM 464 N MET A 28 -2.384 -21.528 -8.999 1.00 0.00 N ATOM 465 CA MET A 28 -2.870 -21.009 -7.690 1.00 0.00 C ATOM 466 C MET A 28 -2.362 -19.579 -7.489 1.00 0.00 C ATOM 467 O MET A 28 -2.911 -18.819 -6.716 1.00 0.00 O ATOM 468 CB MET A 28 -2.349 -21.901 -6.560 1.00 0.00 C ATOM 469 CG MET A 28 -2.964 -21.455 -5.231 1.00 0.00 C ATOM 470 SD MET A 28 -1.667 -21.341 -3.973 1.00 0.00 S ATOM 471 CE MET A 28 -1.722 -23.067 -3.430 1.00 0.00 C ATOM 0 H MET A 28 -1.391 -21.758 -9.034 1.00 0.00 H new ATOM 0 HA MET A 28 -3.960 -21.012 -7.680 1.00 0.00 H new ATOM 0 HB2 MET A 28 -2.602 -22.942 -6.759 1.00 0.00 H new ATOM 0 HB3 MET A 28 -1.262 -21.842 -6.508 1.00 0.00 H new ATOM 0 HG2 MET A 28 -3.455 -20.489 -5.351 1.00 0.00 H new ATOM 0 HG3 MET A 28 -3.729 -22.164 -4.916 1.00 0.00 H new ATOM 0 HE1 MET A 28 -0.987 -23.224 -2.640 1.00 0.00 H new ATOM 0 HE2 MET A 28 -2.717 -23.297 -3.050 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.495 -23.721 -4.272 1.00 0.00 H new ATOM 481 N ASP A 29 -1.319 -19.207 -8.179 1.00 0.00 N ATOM 482 CA ASP A 29 -0.779 -17.826 -8.025 1.00 0.00 C ATOM 483 C ASP A 29 -0.392 -17.275 -9.400 1.00 0.00 C ATOM 484 O ASP A 29 0.428 -17.837 -10.097 1.00 0.00 O ATOM 485 CB ASP A 29 0.456 -17.858 -7.122 1.00 0.00 C ATOM 486 CG ASP A 29 0.159 -18.706 -5.884 1.00 0.00 C ATOM 487 OD1 ASP A 29 -0.177 -19.867 -6.053 1.00 0.00 O ATOM 488 OD2 ASP A 29 0.272 -18.182 -4.789 1.00 0.00 O ATOM 0 H ASP A 29 -0.818 -19.798 -8.842 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.539 -17.186 -7.577 1.00 0.00 H new ATOM 0 HB2 ASP A 29 1.306 -18.272 -7.664 1.00 0.00 H new ATOM 0 HB3 ASP A 29 0.730 -16.845 -6.826 1.00 0.00 H new ATOM 493 N LEU A 30 -0.978 -16.176 -9.793 1.00 0.00 N ATOM 494 CA LEU A 30 -0.647 -15.588 -11.121 1.00 0.00 C ATOM 495 C LEU A 30 0.871 -15.440 -11.252 1.00 0.00 C ATOM 496 O LEU A 30 1.584 -15.377 -10.271 1.00 0.00 O ATOM 497 CB LEU A 30 -1.304 -14.212 -11.247 1.00 0.00 C ATOM 498 CG LEU A 30 -2.814 -14.384 -11.419 1.00 0.00 C ATOM 499 CD1 LEU A 30 -3.502 -13.025 -11.279 1.00 0.00 C ATOM 500 CD2 LEU A 30 -3.104 -14.962 -12.806 1.00 0.00 C ATOM 0 H LEU A 30 -1.672 -15.661 -9.251 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.017 -16.243 -11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.094 -13.614 -10.360 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.889 -13.675 -12.100 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.193 -15.062 -10.655 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.578 -13.148 -11.402 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.294 -12.612 -10.292 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.125 -12.346 -12.044 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.180 -15.086 -12.931 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.726 -14.283 -13.570 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.613 -15.930 -12.907 1.00 0.00 H new ATOM 512 N SER A 31 1.368 -15.381 -12.457 1.00 0.00 N ATOM 513 CA SER A 31 2.837 -15.236 -12.650 1.00 0.00 C ATOM 514 C SER A 31 3.168 -13.770 -12.944 1.00 0.00 C ATOM 515 O SER A 31 2.310 -13.012 -13.348 1.00 0.00 O ATOM 516 CB SER A 31 3.286 -16.106 -13.824 1.00 0.00 C ATOM 517 OG SER A 31 3.236 -17.474 -13.440 1.00 0.00 O ATOM 0 H SER A 31 0.820 -15.427 -13.316 1.00 0.00 H new ATOM 0 HA SER A 31 3.356 -15.553 -11.746 1.00 0.00 H new ATOM 0 HB2 SER A 31 2.642 -15.934 -14.686 1.00 0.00 H new ATOM 0 HB3 SER A 31 4.299 -15.837 -14.124 1.00 0.00 H new ATOM 0 HG SER A 31 3.522 -18.035 -14.191 1.00 0.00 H new ATOM 523 N PRO A 32 4.409 -13.417 -12.728 1.00 0.00 N ATOM 524 CA PRO A 32 4.896 -12.046 -12.959 1.00 0.00 C ATOM 525 C PRO A 32 5.117 -11.801 -14.455 1.00 0.00 C ATOM 526 O PRO A 32 5.731 -12.594 -15.139 1.00 0.00 O ATOM 527 CB PRO A 32 6.221 -12.003 -12.193 1.00 0.00 C ATOM 528 CG PRO A 32 6.691 -13.470 -12.051 1.00 0.00 C ATOM 529 CD PRO A 32 5.443 -14.352 -12.238 1.00 0.00 C ATOM 0 HA PRO A 32 4.195 -11.279 -12.629 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.961 -11.408 -12.729 1.00 0.00 H new ATOM 0 HB3 PRO A 32 6.089 -11.541 -11.215 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.449 -13.708 -12.797 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.142 -13.639 -11.073 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.626 -15.154 -12.953 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.143 -14.822 -11.301 1.00 0.00 H new ATOM 537 N GLY A 33 4.616 -10.710 -14.967 1.00 0.00 N ATOM 538 CA GLY A 33 4.794 -10.418 -16.417 1.00 0.00 C ATOM 539 C GLY A 33 3.722 -11.154 -17.222 1.00 0.00 C ATOM 540 O GLY A 33 3.931 -12.255 -17.690 1.00 0.00 O ATOM 0 H GLY A 33 4.091 -10.009 -14.444 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.724 -9.345 -16.594 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.786 -10.730 -16.742 1.00 0.00 H new ATOM 544 N SER A 34 2.574 -10.555 -17.388 1.00 0.00 N ATOM 545 CA SER A 34 1.493 -11.225 -18.164 1.00 0.00 C ATOM 546 C SER A 34 0.328 -10.253 -18.366 1.00 0.00 C ATOM 547 O SER A 34 0.206 -9.262 -17.675 1.00 0.00 O ATOM 548 CB SER A 34 1.001 -12.455 -17.398 1.00 0.00 C ATOM 549 OG SER A 34 -0.288 -12.819 -17.874 1.00 0.00 O ATOM 0 H SER A 34 2.339 -9.633 -17.021 1.00 0.00 H new ATOM 0 HA SER A 34 1.883 -11.532 -19.135 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.698 -13.283 -17.530 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.960 -12.240 -16.330 1.00 0.00 H new ATOM 0 HG SER A 34 -0.606 -13.608 -17.387 1.00 0.00 H new ATOM 555 N VAL A 35 -0.528 -10.531 -19.311 1.00 0.00 N ATOM 556 CA VAL A 35 -1.684 -9.626 -19.559 1.00 0.00 C ATOM 557 C VAL A 35 -2.987 -10.420 -19.424 1.00 0.00 C ATOM 558 O VAL A 35 -3.175 -11.435 -20.065 1.00 0.00 O ATOM 559 CB VAL A 35 -1.574 -9.035 -20.970 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.118 -8.660 -21.251 1.00 0.00 C ATOM 561 CG2 VAL A 35 -2.036 -10.065 -22.005 1.00 0.00 C ATOM 0 H VAL A 35 -0.476 -11.346 -19.922 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.681 -8.815 -18.831 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.205 -8.149 -21.036 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.037 -8.240 -22.253 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.215 -7.923 -20.521 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.507 -9.550 -21.179 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.955 -9.638 -23.005 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.409 -10.954 -21.938 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.073 -10.337 -21.810 1.00 0.00 H new ATOM 571 N HIS A 36 -3.887 -9.971 -18.592 1.00 0.00 N ATOM 572 CA HIS A 36 -5.171 -10.705 -18.416 1.00 0.00 C ATOM 573 C HIS A 36 -6.340 -9.719 -18.473 1.00 0.00 C ATOM 574 O HIS A 36 -6.158 -8.517 -18.432 1.00 0.00 O ATOM 575 CB HIS A 36 -5.169 -11.414 -17.060 1.00 0.00 C ATOM 576 CG HIS A 36 -4.884 -12.878 -17.258 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.776 -13.726 -17.894 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.808 -13.658 -16.910 1.00 0.00 C ATOM 579 CE1 HIS A 36 -5.228 -14.954 -17.909 1.00 0.00 C ATOM 580 NE2 HIS A 36 -4.027 -14.968 -17.322 1.00 0.00 N ATOM 0 H HIS A 36 -3.788 -9.128 -18.027 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.280 -11.440 -19.213 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.416 -10.971 -16.408 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.133 -11.284 -16.568 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.926 -13.307 -16.395 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.701 -15.823 -18.342 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -3.405 -15.768 -17.202 1.00 0.00 H new ATOM 588 N GLU A 37 -7.543 -10.220 -18.562 1.00 0.00 N ATOM 589 CA GLU A 37 -8.725 -9.317 -18.615 1.00 0.00 C ATOM 590 C GLU A 37 -9.345 -9.222 -17.221 1.00 0.00 C ATOM 591 O GLU A 37 -9.315 -10.164 -16.453 1.00 0.00 O ATOM 592 CB GLU A 37 -9.755 -9.878 -19.598 1.00 0.00 C ATOM 593 CG GLU A 37 -10.013 -8.854 -20.705 1.00 0.00 C ATOM 594 CD GLU A 37 -9.374 -9.337 -22.009 1.00 0.00 C ATOM 595 OE1 GLU A 37 -8.492 -10.176 -21.937 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.778 -8.858 -23.055 1.00 0.00 O ATOM 0 H GLU A 37 -7.757 -11.217 -18.600 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.416 -8.326 -18.947 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.392 -10.811 -20.028 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.684 -10.108 -19.076 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.085 -8.715 -20.843 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.600 -7.886 -20.422 1.00 0.00 H new ATOM 603 N GLY A 38 -9.899 -8.092 -16.881 1.00 0.00 N ATOM 604 CA GLY A 38 -10.510 -7.939 -15.531 1.00 0.00 C ATOM 605 C GLY A 38 -11.511 -6.785 -15.549 1.00 0.00 C ATOM 606 O GLY A 38 -11.671 -6.105 -16.544 1.00 0.00 O ATOM 0 H GLY A 38 -9.955 -7.268 -17.479 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.010 -8.863 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.734 -7.749 -14.789 1.00 0.00 H new ATOM 610 N ILE A 39 -12.187 -6.555 -14.456 1.00 0.00 N ATOM 611 CA ILE A 39 -13.175 -5.440 -14.418 1.00 0.00 C ATOM 612 C ILE A 39 -12.510 -4.213 -13.795 1.00 0.00 C ATOM 613 O ILE A 39 -11.563 -4.326 -13.042 1.00 0.00 O ATOM 614 CB ILE A 39 -14.383 -5.851 -13.574 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.626 -7.355 -13.724 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.621 -5.090 -14.051 1.00 0.00 C ATOM 617 CD1 ILE A 39 -14.658 -7.721 -15.208 1.00 0.00 C ATOM 0 H ILE A 39 -12.098 -7.089 -13.591 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.509 -5.208 -15.429 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.189 -5.616 -12.528 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -13.839 -7.914 -13.218 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -15.568 -7.631 -13.250 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.482 -5.383 -13.450 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.452 -4.018 -13.946 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.812 -5.326 -15.098 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -14.831 -8.792 -15.315 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.461 -7.173 -15.701 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -13.705 -7.460 -15.668 1.00 0.00 H new ATOM 629 N VAL A 40 -12.980 -3.038 -14.116 1.00 0.00 N ATOM 630 CA VAL A 40 -12.346 -1.813 -13.548 1.00 0.00 C ATOM 631 C VAL A 40 -13.239 -1.206 -12.465 1.00 0.00 C ATOM 632 O VAL A 40 -14.449 -1.264 -12.536 1.00 0.00 O ATOM 633 CB VAL A 40 -12.133 -0.791 -14.666 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.354 0.408 -14.120 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.338 -1.438 -15.803 1.00 0.00 C ATOM 0 H VAL A 40 -13.769 -2.873 -14.741 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.388 -2.082 -13.103 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.100 -0.457 -15.041 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.202 1.136 -14.916 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -11.918 0.869 -13.309 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.387 0.073 -13.745 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.186 -0.711 -16.600 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.371 -1.772 -15.427 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -11.891 -2.293 -16.193 1.00 0.00 H new ATOM 645 N TYR A 41 -12.646 -0.617 -11.463 1.00 0.00 N ATOM 646 CA TYR A 41 -13.454 0.004 -10.375 1.00 0.00 C ATOM 647 C TYR A 41 -12.845 1.360 -10.006 1.00 0.00 C ATOM 648 O TYR A 41 -11.645 1.545 -10.050 1.00 0.00 O ATOM 649 CB TYR A 41 -13.451 -0.912 -9.147 1.00 0.00 C ATOM 650 CG TYR A 41 -14.798 -0.842 -8.465 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.826 -1.714 -8.850 1.00 0.00 C ATOM 652 CD2 TYR A 41 -15.019 0.095 -7.447 1.00 0.00 C ATOM 653 CE1 TYR A 41 -17.074 -1.648 -8.217 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.268 0.161 -6.814 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.295 -0.710 -7.201 1.00 0.00 C ATOM 656 OH TYR A 41 -18.526 -0.644 -6.578 1.00 0.00 O ATOM 0 H TYR A 41 -11.635 -0.539 -11.350 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.480 0.145 -10.716 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.235 -1.938 -9.445 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.665 -0.609 -8.456 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.656 -2.437 -9.634 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.227 0.766 -7.150 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.866 -2.321 -8.513 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -16.438 0.883 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.510 0.060 -5.896 1.00 0.00 H new ATOM 666 N PHE A 42 -13.662 2.314 -9.647 1.00 0.00 N ATOM 667 CA PHE A 42 -13.128 3.657 -9.281 1.00 0.00 C ATOM 668 C PHE A 42 -13.029 3.774 -7.760 1.00 0.00 C ATOM 669 O PHE A 42 -13.905 3.340 -7.036 1.00 0.00 O ATOM 670 CB PHE A 42 -14.069 4.742 -9.812 1.00 0.00 C ATOM 671 CG PHE A 42 -15.407 4.632 -9.120 1.00 0.00 C ATOM 672 CD1 PHE A 42 -15.602 5.237 -7.871 1.00 0.00 C ATOM 673 CD2 PHE A 42 -16.455 3.926 -9.727 1.00 0.00 C ATOM 674 CE1 PHE A 42 -16.843 5.135 -7.228 1.00 0.00 C ATOM 675 CE2 PHE A 42 -17.696 3.824 -9.084 1.00 0.00 C ATOM 676 CZ PHE A 42 -17.890 4.429 -7.835 1.00 0.00 C ATOM 0 H PHE A 42 -14.676 2.221 -9.592 1.00 0.00 H new ATOM 0 HA PHE A 42 -12.138 3.783 -9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -13.638 5.728 -9.639 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.195 4.634 -10.889 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -14.795 5.782 -7.404 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -16.306 3.461 -10.690 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -16.992 5.600 -6.265 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -18.503 3.279 -9.551 1.00 0.00 H new ATOM 0 HZ PHE A 42 -18.847 4.351 -7.340 1.00 0.00 H new ATOM 686 N LYS A 43 -11.969 4.354 -7.267 1.00 0.00 N ATOM 687 CA LYS A 43 -11.819 4.496 -5.792 1.00 0.00 C ATOM 688 C LYS A 43 -10.802 5.597 -5.482 1.00 0.00 C ATOM 689 O LYS A 43 -9.680 5.568 -5.946 1.00 0.00 O ATOM 690 CB LYS A 43 -11.333 3.172 -5.200 1.00 0.00 C ATOM 691 CG LYS A 43 -12.360 2.655 -4.191 1.00 0.00 C ATOM 692 CD LYS A 43 -11.769 2.722 -2.782 1.00 0.00 C ATOM 693 CE LYS A 43 -12.841 2.346 -1.757 1.00 0.00 C ATOM 694 NZ LYS A 43 -12.467 2.890 -0.422 1.00 0.00 N ATOM 0 H LYS A 43 -11.202 4.735 -7.821 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.782 4.760 -5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -11.186 2.439 -5.993 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.368 3.312 -4.713 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.270 3.252 -4.244 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.638 1.629 -4.432 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -10.920 2.044 -2.700 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.395 3.726 -2.581 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -13.808 2.743 -2.065 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -12.944 1.262 -1.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.196 2.634 0.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.553 2.491 -0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.391 3.926 -0.478 1.00 0.00 H new ATOM 708 N ASP A 44 -11.188 6.566 -4.697 1.00 0.00 N ATOM 709 CA ASP A 44 -10.245 7.667 -4.352 1.00 0.00 C ATOM 710 C ASP A 44 -9.500 8.123 -5.610 1.00 0.00 C ATOM 711 O ASP A 44 -8.367 8.557 -5.547 1.00 0.00 O ATOM 712 CB ASP A 44 -9.237 7.168 -3.316 1.00 0.00 C ATOM 713 CG ASP A 44 -8.823 8.326 -2.409 1.00 0.00 C ATOM 714 OD1 ASP A 44 -9.657 8.783 -1.644 1.00 0.00 O ATOM 715 OD2 ASP A 44 -7.678 8.739 -2.493 1.00 0.00 O ATOM 0 H ASP A 44 -12.116 6.642 -4.280 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.806 8.507 -3.941 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -9.676 6.366 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -8.362 6.752 -3.815 1.00 0.00 H new ATOM 720 N GLY A 45 -10.128 8.034 -6.750 1.00 0.00 N ATOM 721 CA GLY A 45 -9.453 8.468 -8.008 1.00 0.00 C ATOM 722 C GLY A 45 -8.667 7.298 -8.601 1.00 0.00 C ATOM 723 O GLY A 45 -8.680 7.071 -9.795 1.00 0.00 O ATOM 0 H GLY A 45 -11.078 7.680 -6.866 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -10.193 8.822 -8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -8.782 9.303 -7.803 1.00 0.00 H new ATOM 727 N ILE A 46 -7.980 6.553 -7.778 1.00 0.00 N ATOM 728 CA ILE A 46 -7.196 5.398 -8.301 1.00 0.00 C ATOM 729 C ILE A 46 -8.155 4.369 -8.896 1.00 0.00 C ATOM 730 O ILE A 46 -9.340 4.388 -8.625 1.00 0.00 O ATOM 731 CB ILE A 46 -6.407 4.758 -7.157 1.00 0.00 C ATOM 732 CG1 ILE A 46 -5.560 5.827 -6.463 1.00 0.00 C ATOM 733 CG2 ILE A 46 -5.491 3.667 -7.715 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.775 5.746 -4.951 1.00 0.00 C ATOM 0 H ILE A 46 -7.928 6.694 -6.769 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.504 5.742 -9.070 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.100 4.318 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.506 5.681 -6.699 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -5.834 6.817 -6.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -4.929 3.211 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -6.093 2.905 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.798 4.106 -8.432 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.172 6.507 -4.456 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.828 5.913 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.479 4.760 -4.594 1.00 0.00 H new ATOM 746 N PHE A 47 -7.664 3.470 -9.703 1.00 0.00 N ATOM 747 CA PHE A 47 -8.567 2.451 -10.301 1.00 0.00 C ATOM 748 C PHE A 47 -8.332 1.106 -9.612 1.00 0.00 C ATOM 749 O PHE A 47 -7.397 0.946 -8.853 1.00 0.00 O ATOM 750 CB PHE A 47 -8.272 2.327 -11.797 1.00 0.00 C ATOM 751 CG PHE A 47 -8.447 3.676 -12.455 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.711 4.277 -12.497 1.00 0.00 C ATOM 753 CD2 PHE A 47 -7.342 4.326 -13.023 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.872 5.529 -13.106 1.00 0.00 C ATOM 755 CE2 PHE A 47 -7.504 5.578 -13.633 1.00 0.00 C ATOM 756 CZ PHE A 47 -8.769 6.179 -13.674 1.00 0.00 C ATOM 0 H PHE A 47 -6.683 3.398 -9.972 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.606 2.751 -10.165 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.256 1.964 -11.950 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.942 1.598 -12.252 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.562 3.776 -12.060 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.367 3.863 -12.991 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.847 5.993 -13.137 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.654 6.079 -14.071 1.00 0.00 H new ATOM 0 HZ PHE A 47 -8.894 7.144 -14.144 1.00 0.00 H new ATOM 766 N LYS A 48 -9.174 0.141 -9.861 1.00 0.00 N ATOM 767 CA LYS A 48 -8.993 -1.188 -9.213 1.00 0.00 C ATOM 768 C LYS A 48 -9.416 -2.291 -10.183 1.00 0.00 C ATOM 769 O LYS A 48 -10.433 -2.197 -10.840 1.00 0.00 O ATOM 770 CB LYS A 48 -9.853 -1.260 -7.950 1.00 0.00 C ATOM 771 CG LYS A 48 -8.946 -1.380 -6.724 1.00 0.00 C ATOM 772 CD LYS A 48 -9.491 -0.503 -5.597 1.00 0.00 C ATOM 773 CE LYS A 48 -10.133 -1.388 -4.527 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.230 -0.631 -3.249 1.00 0.00 N ATOM 0 H LYS A 48 -9.978 0.215 -10.484 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.945 -1.323 -8.947 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.476 -0.369 -7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.526 -2.116 -8.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.894 -2.419 -6.398 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.931 -1.074 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.686 0.088 -5.160 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.225 0.200 -5.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.124 -1.706 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.540 -2.291 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.033 -1.269 -2.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.537 0.144 -3.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.188 -0.239 -3.150 1.00 0.00 H new ATOM 788 N VAL A 49 -8.640 -3.334 -10.284 1.00 0.00 N ATOM 789 CA VAL A 49 -8.998 -4.439 -11.216 1.00 0.00 C ATOM 790 C VAL A 49 -9.538 -5.630 -10.422 1.00 0.00 C ATOM 791 O VAL A 49 -8.855 -6.198 -9.591 1.00 0.00 O ATOM 792 CB VAL A 49 -7.754 -4.875 -11.992 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.128 -5.982 -12.979 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.189 -3.680 -12.761 1.00 0.00 C ATOM 0 H VAL A 49 -7.774 -3.469 -9.762 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.761 -4.089 -11.911 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.004 -5.248 -11.294 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.241 -6.292 -13.531 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.532 -6.835 -12.433 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.878 -5.609 -13.677 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.302 -3.990 -13.314 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.940 -3.308 -13.458 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.921 -2.890 -12.060 1.00 0.00 H new ATOM 804 N ARG A 50 -10.756 -6.021 -10.676 1.00 0.00 N ATOM 805 CA ARG A 50 -11.335 -7.180 -9.942 1.00 0.00 C ATOM 806 C ARG A 50 -11.226 -8.430 -10.816 1.00 0.00 C ATOM 807 O ARG A 50 -11.745 -8.476 -11.916 1.00 0.00 O ATOM 808 CB ARG A 50 -12.806 -6.901 -9.626 1.00 0.00 C ATOM 809 CG ARG A 50 -12.901 -5.851 -8.517 1.00 0.00 C ATOM 810 CD ARG A 50 -13.676 -6.427 -7.331 1.00 0.00 C ATOM 811 NE ARG A 50 -15.084 -5.941 -7.374 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.060 -6.740 -7.037 1.00 0.00 C ATOM 813 NH1 ARG A 50 -15.929 -7.534 -6.010 1.00 0.00 N ATOM 814 NH2 ARG A 50 -17.167 -6.744 -7.729 1.00 0.00 N ATOM 0 H ARG A 50 -11.375 -5.587 -11.361 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.791 -7.336 -9.010 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -13.320 -6.548 -10.520 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.302 -7.820 -9.314 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -11.902 -5.550 -8.200 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.400 -4.957 -8.891 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -13.655 -7.516 -7.364 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -13.205 -6.127 -6.395 1.00 0.00 H new ATOM 0 HE ARG A 50 -15.285 -4.985 -7.667 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -15.064 -7.531 -5.470 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -16.692 -8.158 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -17.269 -6.123 -8.532 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.930 -7.368 -7.467 1.00 0.00 H new ATOM 828 N LEU A 51 -10.551 -9.444 -10.343 1.00 0.00 N ATOM 829 CA LEU A 51 -10.409 -10.685 -11.158 1.00 0.00 C ATOM 830 C LEU A 51 -11.615 -11.597 -10.922 1.00 0.00 C ATOM 831 O LEU A 51 -11.577 -12.493 -10.103 1.00 0.00 O ATOM 832 CB LEU A 51 -9.127 -11.417 -10.757 1.00 0.00 C ATOM 833 CG LEU A 51 -8.385 -11.875 -12.015 1.00 0.00 C ATOM 834 CD1 LEU A 51 -9.342 -12.660 -12.914 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.867 -10.651 -12.773 1.00 0.00 C ATOM 0 H LEU A 51 -10.094 -9.467 -9.431 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.359 -10.419 -12.214 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.490 -10.759 -10.166 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.367 -12.276 -10.131 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.547 -12.511 -11.731 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.814 -12.986 -13.810 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.715 -13.531 -12.375 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -10.179 -12.023 -13.198 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.338 -10.975 -13.669 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.707 -10.016 -13.057 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.187 -10.088 -12.134 1.00 0.00 H new ATOM 847 N LEU A 52 -12.683 -11.375 -11.637 1.00 0.00 N ATOM 848 CA LEU A 52 -13.892 -12.229 -11.458 1.00 0.00 C ATOM 849 C LEU A 52 -13.524 -13.694 -11.705 1.00 0.00 C ATOM 850 O LEU A 52 -12.783 -14.013 -12.613 1.00 0.00 O ATOM 851 CB LEU A 52 -14.967 -11.800 -12.461 1.00 0.00 C ATOM 852 CG LEU A 52 -16.240 -11.402 -11.710 1.00 0.00 C ATOM 853 CD1 LEU A 52 -16.041 -10.031 -11.060 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.410 -11.333 -12.694 1.00 0.00 C ATOM 0 H LEU A 52 -12.771 -10.639 -12.338 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.271 -12.116 -10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -14.608 -10.962 -13.058 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.180 -12.616 -13.152 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.454 -12.142 -10.939 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -16.947 -9.747 -10.525 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -15.206 -10.078 -10.361 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -15.828 -9.290 -11.831 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.318 -11.050 -12.161 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -17.195 -10.592 -13.464 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.552 -12.308 -13.159 1.00 0.00 H new ATOM 866 N GLY A 53 -14.038 -14.588 -10.903 1.00 0.00 N ATOM 867 CA GLY A 53 -13.719 -16.032 -11.096 1.00 0.00 C ATOM 868 C GLY A 53 -12.836 -16.523 -9.947 1.00 0.00 C ATOM 869 O GLY A 53 -13.018 -17.608 -9.433 1.00 0.00 O ATOM 0 H GLY A 53 -14.664 -14.381 -10.124 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.639 -16.615 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.208 -16.177 -12.048 1.00 0.00 H new ATOM 873 N TYR A 54 -11.879 -15.733 -9.540 1.00 0.00 N ATOM 874 CA TYR A 54 -10.986 -16.160 -8.426 1.00 0.00 C ATOM 875 C TYR A 54 -11.677 -15.900 -7.087 1.00 0.00 C ATOM 876 O TYR A 54 -11.457 -16.599 -6.118 1.00 0.00 O ATOM 877 CB TYR A 54 -9.679 -15.368 -8.490 1.00 0.00 C ATOM 878 CG TYR A 54 -8.511 -16.316 -8.360 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.309 -17.313 -9.323 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.629 -16.199 -7.277 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.228 -18.195 -9.203 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.546 -17.080 -7.157 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.345 -18.078 -8.121 1.00 0.00 C ATOM 884 OH TYR A 54 -5.279 -18.946 -8.003 1.00 0.00 O ATOM 0 H TYR A 54 -11.678 -14.812 -9.930 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.771 -17.224 -8.520 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.617 -14.824 -9.432 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.651 -14.627 -7.691 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.987 -17.402 -10.159 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.784 -15.430 -6.535 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.075 -18.965 -9.944 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.866 -16.990 -6.322 1.00 0.00 H new ATOM 0 HH TYR A 54 -4.647 -18.600 -7.339 1.00 0.00 H new ATOM 894 N GLU A 55 -12.511 -14.900 -7.024 1.00 0.00 N ATOM 895 CA GLU A 55 -13.214 -14.597 -5.746 1.00 0.00 C ATOM 896 C GLU A 55 -12.187 -14.227 -4.673 1.00 0.00 C ATOM 897 O GLU A 55 -11.767 -15.054 -3.891 1.00 0.00 O ATOM 898 CB GLU A 55 -14.002 -15.829 -5.293 1.00 0.00 C ATOM 899 CG GLU A 55 -15.191 -15.386 -4.439 1.00 0.00 C ATOM 900 CD GLU A 55 -14.968 -15.821 -2.990 1.00 0.00 C ATOM 901 OE1 GLU A 55 -15.320 -16.944 -2.668 1.00 0.00 O ATOM 902 OE2 GLU A 55 -14.448 -15.024 -2.227 1.00 0.00 O ATOM 0 H GLU A 55 -12.736 -14.280 -7.802 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.898 -13.762 -5.897 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.352 -16.390 -6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.358 -16.496 -4.721 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.307 -14.303 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -16.112 -15.824 -4.824 1.00 0.00 H new ATOM 909 N GLY A 56 -11.780 -12.987 -4.631 1.00 0.00 N ATOM 910 CA GLY A 56 -10.781 -12.565 -3.609 1.00 0.00 C ATOM 911 C GLY A 56 -9.593 -11.891 -4.299 1.00 0.00 C ATOM 912 O GLY A 56 -8.842 -11.158 -3.687 1.00 0.00 O ATOM 0 H GLY A 56 -12.096 -12.249 -5.260 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.240 -11.877 -2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.441 -13.430 -3.040 1.00 0.00 H new ATOM 916 N HIS A 57 -9.416 -12.135 -5.568 1.00 0.00 N ATOM 917 CA HIS A 57 -8.276 -11.508 -6.295 1.00 0.00 C ATOM 918 C HIS A 57 -8.542 -10.013 -6.477 1.00 0.00 C ATOM 919 O HIS A 57 -9.192 -9.596 -7.419 1.00 0.00 O ATOM 920 CB HIS A 57 -8.123 -12.170 -7.666 1.00 0.00 C ATOM 921 CG HIS A 57 -6.737 -12.740 -7.793 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.619 -12.618 -7.006 1.00 0.00 N flip ATOM 923 CD2 HIS A 57 -6.369 -13.557 -8.850 1.00 0.00 C flip ATOM 924 CE1 HIS A 57 -4.572 -13.347 -7.563 1.00 0.00 C flip ATOM 925 NE2 HIS A 57 -5.078 -13.892 -8.672 1.00 0.00 N flip ATOM 0 H HIS A 57 -10.011 -12.741 -6.133 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.360 -11.644 -5.719 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.865 -12.959 -7.786 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.302 -11.441 -8.456 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.564 -12.076 -6.144 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.003 -13.868 -9.667 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.567 -13.450 -7.181 1.00 0.00 H new ATOM 933 N GLU A 58 -8.043 -9.201 -5.583 1.00 0.00 N ATOM 934 CA GLU A 58 -8.264 -7.733 -5.701 1.00 0.00 C ATOM 935 C GLU A 58 -6.955 -7.054 -6.108 1.00 0.00 C ATOM 936 O GLU A 58 -6.043 -6.911 -5.317 1.00 0.00 O ATOM 937 CB GLU A 58 -8.732 -7.178 -4.354 1.00 0.00 C ATOM 938 CG GLU A 58 -9.742 -6.053 -4.587 1.00 0.00 C ATOM 939 CD GLU A 58 -10.557 -5.827 -3.313 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.562 -6.710 -2.472 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.163 -4.774 -3.200 1.00 0.00 O ATOM 0 H GLU A 58 -7.492 -9.493 -4.776 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.025 -7.538 -6.457 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.186 -7.971 -3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.879 -6.804 -3.787 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.223 -5.136 -4.867 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.404 -6.310 -5.414 1.00 0.00 H new ATOM 948 N CYS A 59 -6.855 -6.634 -7.339 1.00 0.00 N ATOM 949 CA CYS A 59 -5.608 -5.963 -7.795 1.00 0.00 C ATOM 950 C CYS A 59 -5.843 -4.454 -7.853 1.00 0.00 C ATOM 951 O CYS A 59 -6.964 -3.995 -7.940 1.00 0.00 O ATOM 952 CB CYS A 59 -5.227 -6.473 -9.189 1.00 0.00 C ATOM 953 SG CYS A 59 -5.635 -8.231 -9.329 1.00 0.00 S ATOM 0 H CYS A 59 -7.583 -6.727 -8.047 1.00 0.00 H new ATOM 0 HA CYS A 59 -4.800 -6.184 -7.098 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.758 -5.905 -9.952 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.162 -6.322 -9.363 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.312 -8.658 -10.514 1.00 0.00 H new ATOM 959 N ILE A 60 -4.797 -3.679 -7.806 1.00 0.00 N ATOM 960 CA ILE A 60 -4.965 -2.202 -7.864 1.00 0.00 C ATOM 961 C ILE A 60 -4.584 -1.711 -9.260 1.00 0.00 C ATOM 962 O ILE A 60 -3.533 -2.034 -9.776 1.00 0.00 O ATOM 963 CB ILE A 60 -4.062 -1.540 -6.820 1.00 0.00 C ATOM 964 CG1 ILE A 60 -2.596 -1.794 -7.181 1.00 0.00 C ATOM 965 CG2 ILE A 60 -4.356 -2.135 -5.442 1.00 0.00 C ATOM 966 CD1 ILE A 60 -1.689 -1.147 -6.132 1.00 0.00 C ATOM 0 H ILE A 60 -3.833 -4.005 -7.730 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.002 -1.941 -7.654 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.253 -0.467 -6.802 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.404 -2.866 -7.231 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.378 -1.385 -8.167 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.714 -1.664 -4.698 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.400 -1.958 -5.184 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.164 -3.208 -5.460 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.646 -1.329 -6.391 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.874 -0.073 -6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.900 -1.577 -5.153 1.00 0.00 H new ATOM 978 N LEU A 61 -5.432 -0.939 -9.878 1.00 0.00 N ATOM 979 CA LEU A 61 -5.117 -0.439 -11.243 1.00 0.00 C ATOM 980 C LEU A 61 -4.567 0.985 -11.155 1.00 0.00 C ATOM 981 O LEU A 61 -5.284 1.930 -10.870 1.00 0.00 O ATOM 982 CB LEU A 61 -6.387 -0.448 -12.095 1.00 0.00 C ATOM 983 CG LEU A 61 -6.073 0.115 -13.483 1.00 0.00 C ATOM 984 CD1 LEU A 61 -5.166 -0.860 -14.236 1.00 0.00 C ATOM 985 CD2 LEU A 61 -7.376 0.301 -14.264 1.00 0.00 C ATOM 0 H LEU A 61 -6.328 -0.633 -9.498 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.369 -1.085 -11.702 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.773 -1.464 -12.181 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -7.164 0.148 -11.616 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.569 1.076 -13.379 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.942 -0.459 -15.225 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.238 -0.996 -13.681 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.671 -1.820 -14.340 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.153 0.702 -15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.879 -0.661 -14.367 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -8.025 0.994 -13.729 1.00 0.00 H new ATOM 997 N LEU A 62 -3.296 1.144 -11.402 1.00 0.00 N ATOM 998 CA LEU A 62 -2.683 2.498 -11.345 1.00 0.00 C ATOM 999 C LEU A 62 -2.419 2.990 -12.766 1.00 0.00 C ATOM 1000 O LEU A 62 -1.841 4.038 -12.972 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.360 2.425 -10.579 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.587 2.831 -9.123 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -2.034 4.293 -9.062 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -2.671 1.941 -8.512 1.00 0.00 C ATOM 0 H LEU A 62 -2.653 0.389 -11.642 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.360 3.186 -10.838 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.956 1.414 -10.626 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.624 3.084 -11.040 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.659 2.713 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.195 4.581 -8.023 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.263 4.928 -9.499 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.962 4.413 -9.620 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.835 2.228 -7.473 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.598 2.060 -9.072 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.353 0.899 -8.554 1.00 0.00 H new ATOM 1016 N ASP A 63 -2.830 2.238 -13.753 1.00 0.00 N ATOM 1017 CA ASP A 63 -2.582 2.668 -15.153 1.00 0.00 C ATOM 1018 C ASP A 63 -1.082 2.885 -15.328 1.00 0.00 C ATOM 1019 O ASP A 63 -0.648 3.762 -16.048 1.00 0.00 O ATOM 1020 CB ASP A 63 -3.326 3.978 -15.427 1.00 0.00 C ATOM 1021 CG ASP A 63 -4.704 3.671 -16.017 1.00 0.00 C ATOM 1022 OD1 ASP A 63 -5.559 3.222 -15.272 1.00 0.00 O ATOM 1023 OD2 ASP A 63 -4.881 3.891 -17.204 1.00 0.00 O ATOM 0 H ASP A 63 -3.323 1.351 -13.648 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.936 1.908 -15.849 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -3.433 4.547 -14.504 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.753 4.596 -16.118 1.00 0.00 H new ATOM 1028 N TYR A 64 -0.285 2.098 -14.658 1.00 0.00 N ATOM 1029 CA TYR A 64 1.189 2.266 -14.769 1.00 0.00 C ATOM 1030 C TYR A 64 1.566 3.649 -14.240 1.00 0.00 C ATOM 1031 O TYR A 64 2.451 4.305 -14.753 1.00 0.00 O ATOM 1032 CB TYR A 64 1.610 2.144 -16.234 1.00 0.00 C ATOM 1033 CG TYR A 64 3.106 2.302 -16.343 1.00 0.00 C ATOM 1034 CD1 TYR A 64 3.955 1.376 -15.723 1.00 0.00 C ATOM 1035 CD2 TYR A 64 3.647 3.374 -17.065 1.00 0.00 C ATOM 1036 CE1 TYR A 64 5.345 1.522 -15.824 1.00 0.00 C ATOM 1037 CE2 TYR A 64 5.037 3.520 -17.165 1.00 0.00 C ATOM 1038 CZ TYR A 64 5.885 2.594 -16.545 1.00 0.00 C ATOM 1039 OH TYR A 64 7.254 2.739 -16.646 1.00 0.00 O ATOM 0 H TYR A 64 -0.592 1.347 -14.040 1.00 0.00 H new ATOM 0 HA TYR A 64 1.696 1.496 -14.188 1.00 0.00 H new ATOM 0 HB2 TYR A 64 1.306 1.175 -16.631 1.00 0.00 H new ATOM 0 HB3 TYR A 64 1.109 2.905 -16.832 1.00 0.00 H new ATOM 0 HD1 TYR A 64 3.538 0.549 -15.167 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.993 4.087 -17.544 1.00 0.00 H new ATOM 0 HE1 TYR A 64 5.999 0.808 -15.346 1.00 0.00 H new ATOM 0 HE2 TYR A 64 5.454 4.347 -17.720 1.00 0.00 H new ATOM 0 HH TYR A 64 7.460 3.534 -17.181 1.00 0.00 H new ATOM 1049 N LEU A 65 0.893 4.100 -13.215 1.00 0.00 N ATOM 1050 CA LEU A 65 1.203 5.444 -12.651 1.00 0.00 C ATOM 1051 C LEU A 65 2.600 5.433 -12.027 1.00 0.00 C ATOM 1052 O LEU A 65 3.432 6.264 -12.331 1.00 0.00 O ATOM 1053 CB LEU A 65 0.169 5.794 -11.578 1.00 0.00 C ATOM 1054 CG LEU A 65 -0.413 7.179 -11.862 1.00 0.00 C ATOM 1055 CD1 LEU A 65 0.716 8.210 -11.895 1.00 0.00 C ATOM 1056 CD2 LEU A 65 -1.127 7.162 -13.215 1.00 0.00 C ATOM 0 H LEU A 65 0.142 3.595 -12.745 1.00 0.00 H new ATOM 0 HA LEU A 65 1.171 6.187 -13.448 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.626 5.049 -11.568 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.633 5.778 -10.592 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.123 7.443 -11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.301 9.197 -12.097 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.227 8.221 -10.932 1.00 0.00 H new ATOM 0 HD13 LEU A 65 1.426 7.947 -12.679 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.543 8.149 -13.419 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.416 6.898 -13.998 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.931 6.427 -13.193 1.00 0.00 H new ATOM 1068 N ASN A 66 2.863 4.500 -11.153 1.00 0.00 N ATOM 1069 CA ASN A 66 4.205 4.444 -10.508 1.00 0.00 C ATOM 1070 C ASN A 66 4.305 5.554 -9.462 1.00 0.00 C ATOM 1071 O ASN A 66 4.903 6.586 -9.692 1.00 0.00 O ATOM 1072 CB ASN A 66 5.291 4.644 -11.569 1.00 0.00 C ATOM 1073 CG ASN A 66 6.491 3.752 -11.245 1.00 0.00 C ATOM 1074 OD1 ASN A 66 6.330 2.597 -10.906 1.00 0.00 O ATOM 1075 ND2 ASN A 66 7.697 4.243 -11.336 1.00 0.00 N ATOM 0 H ASN A 66 2.208 3.776 -10.858 1.00 0.00 H new ATOM 0 HA ASN A 66 4.342 3.474 -10.029 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.899 4.400 -12.556 1.00 0.00 H new ATOM 0 HB3 ASN A 66 5.598 5.689 -11.597 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.504 3.657 -11.122 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.833 5.213 -11.621 1.00 0.00 H new ATOM 1082 N TYR A 67 3.717 5.354 -8.314 1.00 0.00 N ATOM 1083 CA TYR A 67 3.773 6.402 -7.257 1.00 0.00 C ATOM 1084 C TYR A 67 3.044 7.653 -7.752 1.00 0.00 C ATOM 1085 O TYR A 67 2.562 7.700 -8.865 1.00 0.00 O ATOM 1086 CB TYR A 67 5.232 6.745 -6.952 1.00 0.00 C ATOM 1087 CG TYR A 67 5.353 7.192 -5.515 1.00 0.00 C ATOM 1088 CD1 TYR A 67 5.005 6.317 -4.477 1.00 0.00 C ATOM 1089 CD2 TYR A 67 5.815 8.481 -5.220 1.00 0.00 C ATOM 1090 CE1 TYR A 67 5.117 6.733 -3.143 1.00 0.00 C ATOM 1091 CE2 TYR A 67 5.927 8.897 -3.886 1.00 0.00 C ATOM 1092 CZ TYR A 67 5.578 8.023 -2.848 1.00 0.00 C ATOM 1093 OH TYR A 67 5.689 8.432 -1.535 1.00 0.00 O ATOM 0 H TYR A 67 3.201 4.511 -8.063 1.00 0.00 H new ATOM 0 HA TYR A 67 3.294 6.034 -6.350 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.866 5.876 -7.128 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.579 7.533 -7.620 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.651 5.323 -4.705 1.00 0.00 H new ATOM 0 HD2 TYR A 67 6.085 9.154 -6.020 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.848 6.059 -2.343 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.282 9.891 -3.658 1.00 0.00 H new ATOM 0 HH TYR A 67 6.024 9.352 -1.506 1.00 0.00 H new ATOM 1103 N ARG A 68 2.955 8.666 -6.935 1.00 0.00 N ATOM 1104 CA ARG A 68 2.252 9.908 -7.365 1.00 0.00 C ATOM 1105 C ARG A 68 0.780 9.584 -7.633 1.00 0.00 C ATOM 1106 O ARG A 68 0.280 8.550 -7.234 1.00 0.00 O ATOM 1107 CB ARG A 68 2.899 10.443 -8.644 1.00 0.00 C ATOM 1108 CG ARG A 68 2.901 11.973 -8.616 1.00 0.00 C ATOM 1109 CD ARG A 68 4.330 12.488 -8.804 1.00 0.00 C ATOM 1110 NE ARG A 68 4.396 13.925 -8.415 1.00 0.00 N ATOM 1111 CZ ARG A 68 5.321 14.696 -8.919 1.00 0.00 C ATOM 1112 NH1 ARG A 68 6.523 14.228 -9.120 1.00 0.00 N ATOM 1113 NH2 ARG A 68 5.045 15.935 -9.221 1.00 0.00 N ATOM 0 H ARG A 68 3.338 8.688 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 68 2.325 10.662 -6.581 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.919 10.069 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.353 10.086 -9.517 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.257 12.362 -9.404 1.00 0.00 H new ATOM 0 HG3 ARG A 68 2.497 12.330 -7.669 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.021 11.904 -8.197 1.00 0.00 H new ATOM 0 HD3 ARG A 68 4.638 12.367 -9.843 1.00 0.00 H new ATOM 0 HE ARG A 68 3.718 14.306 -7.755 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.739 13.260 -8.883 1.00 0.00 H new ATOM 0 HH12 ARG A 68 7.246 14.831 -9.514 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.106 16.301 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 68 5.768 16.537 -9.615 1.00 0.00 H new ATOM 1127 N GLN A 69 0.078 10.456 -8.307 1.00 0.00 N ATOM 1128 CA GLN A 69 -1.360 10.187 -8.596 1.00 0.00 C ATOM 1129 C GLN A 69 -1.937 11.322 -9.443 1.00 0.00 C ATOM 1130 O GLN A 69 -2.045 12.448 -8.999 1.00 0.00 O ATOM 1131 CB GLN A 69 -2.136 10.090 -7.280 1.00 0.00 C ATOM 1132 CG GLN A 69 -1.665 11.187 -6.323 1.00 0.00 C ATOM 1133 CD GLN A 69 -2.751 11.455 -5.280 1.00 0.00 C ATOM 1134 OE1 GLN A 69 -3.687 12.187 -5.535 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -2.667 10.889 -4.107 1.00 0.00 N ATOM 0 H GLN A 69 0.437 11.340 -8.669 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.448 9.248 -9.142 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.205 10.192 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.984 9.110 -6.828 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -0.741 10.883 -5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -1.446 12.099 -6.878 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.882 10.275 -3.892 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -3.387 11.061 -3.405 1.00 0.00 H new ATOM 1144 N ASP A 70 -2.316 11.033 -10.659 1.00 0.00 N ATOM 1145 CA ASP A 70 -2.892 12.096 -11.530 1.00 0.00 C ATOM 1146 C ASP A 70 -4.413 12.109 -11.369 1.00 0.00 C ATOM 1147 O ASP A 70 -4.974 11.320 -10.634 1.00 0.00 O ATOM 1148 CB ASP A 70 -2.537 11.811 -12.992 1.00 0.00 C ATOM 1149 CG ASP A 70 -1.130 11.213 -13.068 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -0.245 11.745 -12.419 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -0.962 10.235 -13.777 1.00 0.00 O ATOM 0 H ASP A 70 -2.252 10.109 -11.085 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.483 13.065 -11.242 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -3.261 11.121 -13.425 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.585 12.731 -13.575 1.00 0.00 H new ATOM 1156 N THR A 71 -5.087 12.996 -12.048 1.00 0.00 N ATOM 1157 CA THR A 71 -6.571 13.051 -11.925 1.00 0.00 C ATOM 1158 C THR A 71 -7.167 13.699 -13.177 1.00 0.00 C ATOM 1159 O THR A 71 -7.810 14.729 -13.109 1.00 0.00 O ATOM 1160 CB THR A 71 -6.949 13.877 -10.693 1.00 0.00 C ATOM 1161 OG1 THR A 71 -5.887 14.767 -10.377 1.00 0.00 O ATOM 1162 CG2 THR A 71 -7.204 12.942 -9.511 1.00 0.00 C ATOM 0 H THR A 71 -4.676 13.683 -12.680 1.00 0.00 H new ATOM 0 HA THR A 71 -6.964 12.040 -11.821 1.00 0.00 H new ATOM 0 HB THR A 71 -7.852 14.450 -10.901 1.00 0.00 H new ATOM 0 HG1 THR A 71 -6.128 15.298 -9.589 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.473 13.530 -8.634 1.00 0.00 H new ATOM 0 HG22 THR A 71 -8.019 12.261 -9.755 1.00 0.00 H new ATOM 0 HG23 THR A 71 -6.302 12.368 -9.300 1.00 0.00 H new ATOM 1170 N LEU A 72 -6.963 13.105 -14.320 1.00 0.00 N ATOM 1171 CA LEU A 72 -7.522 13.686 -15.572 1.00 0.00 C ATOM 1172 C LEU A 72 -8.332 12.617 -16.309 1.00 0.00 C ATOM 1173 O LEU A 72 -8.023 12.250 -17.427 1.00 0.00 O ATOM 1174 CB LEU A 72 -6.380 14.171 -16.468 1.00 0.00 C ATOM 1175 CG LEU A 72 -6.950 14.653 -17.804 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -6.681 16.149 -17.965 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -6.279 13.889 -18.947 1.00 0.00 C ATOM 0 H LEU A 72 -6.433 12.242 -14.441 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.168 14.528 -15.325 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.838 14.980 -15.979 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.666 13.364 -16.635 1.00 0.00 H new ATOM 0 HG LEU A 72 -8.025 14.474 -17.826 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.087 16.491 -18.917 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.157 16.694 -17.150 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.606 16.330 -17.943 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.683 14.231 -19.900 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -5.204 14.069 -18.923 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.471 12.822 -18.833 1.00 0.00 H new ATOM 1189 N ASP A 73 -9.367 12.116 -15.693 1.00 0.00 N ATOM 1190 CA ASP A 73 -10.199 11.072 -16.355 1.00 0.00 C ATOM 1191 C ASP A 73 -11.667 11.278 -15.977 1.00 0.00 C ATOM 1192 O ASP A 73 -12.215 10.561 -15.165 1.00 0.00 O ATOM 1193 CB ASP A 73 -9.743 9.688 -15.892 1.00 0.00 C ATOM 1194 CG ASP A 73 -9.566 9.692 -14.372 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -8.582 10.247 -13.911 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -10.417 9.139 -13.696 1.00 0.00 O ATOM 0 H ASP A 73 -9.673 12.385 -14.758 1.00 0.00 H new ATOM 0 HA ASP A 73 -10.087 11.148 -17.437 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.477 8.936 -16.182 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.804 9.421 -16.378 1.00 0.00 H new ATOM 1201 N ARG A 74 -12.307 12.258 -16.556 1.00 0.00 N ATOM 1202 CA ARG A 74 -13.737 12.514 -16.226 1.00 0.00 C ATOM 1203 C ARG A 74 -14.626 11.491 -16.941 1.00 0.00 C ATOM 1204 O ARG A 74 -15.401 10.789 -16.322 1.00 0.00 O ATOM 1205 CB ARG A 74 -14.118 13.926 -16.677 1.00 0.00 C ATOM 1206 CG ARG A 74 -13.032 14.912 -16.238 1.00 0.00 C ATOM 1207 CD ARG A 74 -12.629 15.793 -17.423 1.00 0.00 C ATOM 1208 NE ARG A 74 -13.724 16.761 -17.718 1.00 0.00 N ATOM 1209 CZ ARG A 74 -13.801 17.319 -18.896 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -14.203 16.624 -19.924 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -13.475 18.575 -19.046 1.00 0.00 N ATOM 0 H ARG A 74 -11.900 12.892 -17.244 1.00 0.00 H new ATOM 0 HA ARG A 74 -13.880 12.423 -15.149 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.234 13.954 -17.760 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.078 14.210 -16.246 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -13.398 15.531 -15.419 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -12.164 14.370 -15.863 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -11.707 16.329 -17.195 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -12.430 15.175 -18.298 1.00 0.00 H new ATOM 0 HE ARG A 74 -14.412 16.987 -17.000 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -14.458 15.643 -19.808 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -14.263 17.061 -20.844 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -13.160 19.120 -18.243 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.535 19.011 -19.966 1.00 0.00 H new ATOM 1225 N LEU A 75 -14.522 11.404 -18.239 1.00 0.00 N ATOM 1226 CA LEU A 75 -15.364 10.430 -18.992 1.00 0.00 C ATOM 1227 C LEU A 75 -15.084 9.009 -18.496 1.00 0.00 C ATOM 1228 O LEU A 75 -15.985 8.214 -18.318 1.00 0.00 O ATOM 1229 CB LEU A 75 -15.034 10.521 -20.485 1.00 0.00 C ATOM 1230 CG LEU A 75 -16.151 11.271 -21.212 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -16.128 12.746 -20.803 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -15.940 11.159 -22.723 1.00 0.00 C ATOM 0 H LEU A 75 -13.891 11.965 -18.811 1.00 0.00 H new ATOM 0 HA LEU A 75 -16.416 10.666 -18.833 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.084 11.036 -20.627 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -14.920 9.521 -20.904 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.114 10.835 -20.945 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.924 13.280 -21.322 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -16.278 12.827 -19.726 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.165 13.182 -21.069 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.736 11.693 -23.242 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -14.977 11.595 -22.989 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -15.957 10.109 -23.016 1.00 0.00 H new ATOM 1244 N LYS A 76 -13.840 8.683 -18.273 1.00 0.00 N ATOM 1245 CA LYS A 76 -13.498 7.313 -17.791 1.00 0.00 C ATOM 1246 C LYS A 76 -14.311 6.986 -16.538 1.00 0.00 C ATOM 1247 O LYS A 76 -14.563 5.838 -16.238 1.00 0.00 O ATOM 1248 CB LYS A 76 -12.007 7.249 -17.458 1.00 0.00 C ATOM 1249 CG LYS A 76 -11.318 6.244 -18.384 1.00 0.00 C ATOM 1250 CD LYS A 76 -10.159 6.929 -19.110 1.00 0.00 C ATOM 1251 CE LYS A 76 -8.843 6.254 -18.721 1.00 0.00 C ATOM 1252 NZ LYS A 76 -8.150 7.075 -17.688 1.00 0.00 N ATOM 0 H LYS A 76 -13.044 9.307 -18.404 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.732 6.589 -18.571 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.555 8.234 -17.573 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.868 6.955 -16.418 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.949 5.396 -17.807 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.032 5.851 -19.107 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.306 6.870 -20.188 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.128 7.987 -18.850 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.035 5.253 -18.336 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -8.206 6.141 -19.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -7.255 6.616 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.954 8.022 -18.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.757 7.161 -16.848 1.00 0.00 H new ATOM 1266 N GLU A 77 -14.715 7.979 -15.799 1.00 0.00 N ATOM 1267 CA GLU A 77 -15.503 7.713 -14.563 1.00 0.00 C ATOM 1268 C GLU A 77 -16.778 6.937 -14.913 1.00 0.00 C ATOM 1269 O GLU A 77 -17.155 6.006 -14.230 1.00 0.00 O ATOM 1270 CB GLU A 77 -15.878 9.042 -13.903 1.00 0.00 C ATOM 1271 CG GLU A 77 -14.619 9.702 -13.337 1.00 0.00 C ATOM 1272 CD GLU A 77 -14.569 9.492 -11.823 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -15.583 9.109 -11.263 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -13.516 9.716 -11.248 1.00 0.00 O ATOM 0 H GLU A 77 -14.534 8.963 -15.996 1.00 0.00 H new ATOM 0 HA GLU A 77 -14.901 7.119 -13.875 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.352 9.701 -14.631 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -16.603 8.873 -13.107 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -13.731 9.275 -13.803 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.619 10.767 -13.567 1.00 0.00 H new ATOM 1281 N ARG A 78 -17.448 7.314 -15.967 1.00 0.00 N ATOM 1282 CA ARG A 78 -18.701 6.599 -16.350 1.00 0.00 C ATOM 1283 C ARG A 78 -18.361 5.272 -17.039 1.00 0.00 C ATOM 1284 O ARG A 78 -19.104 4.314 -16.956 1.00 0.00 O ATOM 1285 CB ARG A 78 -19.516 7.476 -17.304 1.00 0.00 C ATOM 1286 CG ARG A 78 -20.636 6.646 -17.937 1.00 0.00 C ATOM 1287 CD ARG A 78 -21.483 6.001 -16.837 1.00 0.00 C ATOM 1288 NE ARG A 78 -22.894 6.464 -16.961 1.00 0.00 N ATOM 1289 CZ ARG A 78 -23.834 5.619 -17.292 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -23.593 4.684 -18.170 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -25.014 5.711 -16.744 1.00 0.00 N ATOM 0 H ARG A 78 -17.183 8.085 -16.580 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.283 6.394 -15.452 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -19.939 8.323 -16.763 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -18.869 7.884 -18.081 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -21.261 7.280 -18.566 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -20.212 5.876 -18.582 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.437 4.915 -16.917 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.087 6.265 -15.856 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.126 7.442 -16.787 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -22.670 4.612 -18.598 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -24.327 4.025 -18.428 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -25.202 6.442 -16.058 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -25.749 5.052 -17.002 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.253 5.209 -17.725 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.881 3.944 -18.425 1.00 0.00 C ATOM 1307 C LEU A 79 -16.298 2.943 -17.426 1.00 0.00 C ATOM 1308 O LEU A 79 -16.192 1.762 -17.707 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.843 4.247 -19.506 1.00 0.00 C ATOM 1310 CG LEU A 79 -16.553 4.714 -20.776 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -16.488 6.240 -20.863 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -15.864 4.103 -21.998 1.00 0.00 C ATOM 0 H LEU A 79 -16.589 5.976 -17.832 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.773 3.514 -18.881 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.154 5.016 -19.158 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -15.249 3.357 -19.715 1.00 0.00 H new ATOM 0 HG LEU A 79 -17.595 4.396 -20.749 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -16.994 6.575 -21.769 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.977 6.675 -19.992 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.446 6.559 -20.891 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -16.369 4.435 -22.905 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -14.822 4.422 -22.026 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -15.909 3.016 -21.935 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.915 3.401 -16.265 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.338 2.472 -15.252 1.00 0.00 C ATOM 1326 C VAL A 80 -16.164 1.188 -15.218 1.00 0.00 C ATOM 1327 O VAL A 80 -17.258 1.128 -15.744 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.359 3.131 -13.874 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.718 2.193 -12.848 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.571 4.442 -13.925 1.00 0.00 C ATOM 0 H VAL A 80 -15.977 4.377 -15.975 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.308 2.238 -15.520 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.390 3.335 -13.585 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.733 2.664 -11.865 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.277 1.258 -12.811 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.687 1.989 -13.136 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.585 4.913 -12.942 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.540 4.236 -14.214 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.026 5.112 -14.655 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.651 0.159 -14.611 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.408 -1.122 -14.558 1.00 0.00 C ATOM 1342 C GLY A 81 -16.090 -1.943 -15.808 1.00 0.00 C ATOM 1343 O GLY A 81 -15.777 -3.115 -15.726 1.00 0.00 O ATOM 0 H GLY A 81 -14.742 0.147 -14.149 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.138 -1.681 -13.662 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.478 -0.924 -14.500 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.164 -1.330 -16.962 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.870 -2.062 -18.229 1.00 0.00 C ATOM 1349 C ARG A 82 -14.693 -3.017 -18.021 1.00 0.00 C ATOM 1350 O ARG A 82 -13.879 -2.833 -17.139 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.519 -1.055 -19.327 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.690 -0.934 -20.305 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.330 0.058 -21.413 1.00 0.00 C ATOM 1354 NE ARG A 82 -16.078 -0.680 -22.682 1.00 0.00 N ATOM 1355 CZ ARG A 82 -15.487 -0.081 -23.680 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -15.841 1.131 -24.016 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -14.542 -0.690 -24.342 1.00 0.00 N ATOM 0 H ARG A 82 -16.417 -0.349 -17.081 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.749 -2.636 -18.522 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.298 -0.083 -18.886 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.622 -1.376 -19.856 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -16.920 -1.909 -20.736 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -17.584 -0.599 -19.779 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.140 0.774 -21.552 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.445 0.629 -21.131 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.367 -1.654 -22.771 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -16.579 1.609 -23.499 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -15.379 1.599 -24.796 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -14.264 -1.636 -24.080 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.081 -0.220 -25.122 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.598 -4.036 -18.832 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.476 -5.004 -18.685 1.00 0.00 C ATOM 1373 C VAL A 83 -12.379 -4.657 -19.691 1.00 0.00 C ATOM 1374 O VAL A 83 -12.648 -4.213 -20.789 1.00 0.00 O ATOM 1375 CB VAL A 83 -13.984 -6.422 -18.959 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.967 -7.440 -18.438 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -15.324 -6.632 -18.251 1.00 0.00 C ATOM 0 H VAL A 83 -15.250 -4.239 -19.590 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.078 -4.951 -17.672 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.116 -6.557 -20.033 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.330 -8.449 -18.633 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.013 -7.293 -18.944 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.833 -7.304 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.685 -7.642 -18.447 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -15.194 -6.495 -17.178 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.050 -5.909 -18.624 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.144 -4.856 -19.324 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.030 -4.538 -20.261 1.00 0.00 C ATOM 1389 C ILE A 84 -8.858 -5.488 -20.007 1.00 0.00 C ATOM 1390 O ILE A 84 -8.789 -6.146 -18.987 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.563 -3.092 -20.047 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.784 -2.989 -18.728 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.772 -2.152 -20.009 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.628 -3.528 -17.570 1.00 0.00 C ATOM 0 H ILE A 84 -10.858 -5.225 -18.417 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.384 -4.656 -21.285 1.00 0.00 H new ATOM 0 HB ILE A 84 -8.913 -2.802 -20.873 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -7.854 -3.552 -18.802 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.514 -1.950 -18.537 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.432 -1.128 -19.857 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.314 -2.218 -20.952 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.432 -2.441 -19.191 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.064 -3.449 -16.641 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.546 -2.946 -17.487 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -9.876 -4.573 -17.756 1.00 0.00 H new ATOM 1406 N LYS A 85 -7.934 -5.559 -20.926 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.763 -6.462 -20.739 1.00 0.00 C ATOM 1408 C LYS A 85 -5.570 -5.643 -20.244 1.00 0.00 C ATOM 1409 O LYS A 85 -4.941 -4.926 -20.997 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.412 -7.123 -22.074 1.00 0.00 C ATOM 1411 CG LYS A 85 -5.176 -8.007 -21.897 1.00 0.00 C ATOM 1412 CD LYS A 85 -4.633 -8.406 -23.271 1.00 0.00 C ATOM 1413 CE LYS A 85 -5.238 -9.747 -23.689 1.00 0.00 C ATOM 1414 NZ LYS A 85 -6.501 -9.508 -24.443 1.00 0.00 N ATOM 0 H LYS A 85 -7.939 -5.031 -21.798 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.006 -7.232 -20.007 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.252 -7.721 -22.428 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.222 -6.361 -22.830 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.411 -7.473 -21.333 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.432 -8.897 -21.323 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.877 -7.640 -24.007 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -3.546 -8.480 -23.237 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.531 -10.300 -24.308 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.437 -10.358 -22.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -6.576 -10.194 -25.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -7.313 -9.619 -23.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -6.496 -8.543 -24.832 1.00 0.00 H new ATOM 1428 N THR A 86 -5.255 -5.741 -18.983 1.00 0.00 N ATOM 1429 CA THR A 86 -4.105 -4.965 -18.439 1.00 0.00 C ATOM 1430 C THR A 86 -2.990 -5.928 -18.026 1.00 0.00 C ATOM 1431 O THR A 86 -3.144 -7.131 -18.089 1.00 0.00 O ATOM 1432 CB THR A 86 -4.564 -4.158 -17.223 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.277 -5.008 -16.334 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.474 -3.018 -17.681 1.00 0.00 C ATOM 0 H THR A 86 -5.744 -6.325 -18.305 1.00 0.00 H new ATOM 0 HA THR A 86 -3.730 -4.285 -19.204 1.00 0.00 H new ATOM 0 HB THR A 86 -3.695 -3.744 -16.711 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.832 -4.465 -15.737 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.801 -2.443 -16.815 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.927 -2.367 -18.363 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.344 -3.430 -18.192 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.865 -5.413 -17.607 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.749 -6.311 -17.198 1.00 0.00 C ATOM 1444 C ARG A 87 -0.720 -6.426 -15.672 1.00 0.00 C ATOM 1445 O ARG A 87 -1.159 -5.543 -14.966 1.00 0.00 O ATOM 1446 CB ARG A 87 0.586 -5.737 -17.688 1.00 0.00 C ATOM 1447 CG ARG A 87 0.362 -4.891 -18.944 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.484 -5.676 -19.948 1.00 0.00 C ATOM 1449 NE ARG A 87 0.274 -5.834 -21.222 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.162 -5.269 -22.314 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.391 -5.464 -22.703 1.00 0.00 N ATOM 1452 NH2 ARG A 87 0.632 -4.508 -23.016 1.00 0.00 N ATOM 0 H ARG A 87 -1.672 -4.414 -17.531 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.902 -7.296 -17.638 1.00 0.00 H new ATOM 0 HB2 ARG A 87 1.039 -5.128 -16.905 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.282 -6.547 -17.905 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.138 -3.959 -18.682 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.320 -4.624 -19.391 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.737 -6.654 -19.540 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.423 -5.155 -20.134 1.00 0.00 H new ATOM 0 HE ARG A 87 1.133 -6.384 -21.240 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.012 -6.058 -22.153 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.732 -5.022 -23.557 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.593 -4.355 -22.711 1.00 0.00 H new ATOM 0 HH22 ARG A 87 0.292 -4.066 -23.870 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.197 -7.504 -15.157 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.139 -7.665 -13.677 1.00 0.00 C ATOM 1468 C VAL A 88 1.249 -7.256 -13.190 1.00 0.00 C ATOM 1469 O VAL A 88 2.232 -7.919 -13.455 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.401 -9.125 -13.306 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.128 -9.330 -11.815 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.861 -9.474 -13.608 1.00 0.00 C ATOM 0 H VAL A 88 0.192 -8.278 -15.695 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.897 -7.037 -13.209 1.00 0.00 H new ATOM 0 HB VAL A 88 0.256 -9.771 -13.888 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.315 -10.371 -11.551 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.911 -9.081 -11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.785 -8.684 -11.233 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.048 -10.515 -13.344 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.518 -8.828 -13.025 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.058 -9.328 -14.670 1.00 0.00 H new ATOM 1482 N VAL A 89 1.340 -6.158 -12.493 1.00 0.00 N ATOM 1483 CA VAL A 89 2.667 -5.699 -12.007 1.00 0.00 C ATOM 1484 C VAL A 89 3.241 -6.711 -11.010 1.00 0.00 C ATOM 1485 O VAL A 89 4.434 -6.933 -10.959 1.00 0.00 O ATOM 1486 CB VAL A 89 2.524 -4.338 -11.326 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.876 -3.623 -11.325 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.503 -3.493 -12.089 1.00 0.00 C ATOM 0 H VAL A 89 0.553 -5.561 -12.240 1.00 0.00 H new ATOM 0 HA VAL A 89 3.344 -5.612 -12.857 1.00 0.00 H new ATOM 0 HB VAL A 89 2.187 -4.479 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.774 -2.652 -10.839 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.606 -4.225 -10.783 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.213 -3.481 -12.352 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.400 -2.522 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 89 1.842 -3.352 -13.115 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.539 -4.002 -12.091 1.00 0.00 H new ATOM 1498 N ARG A 90 2.404 -7.324 -10.216 1.00 0.00 N ATOM 1499 CA ARG A 90 2.912 -8.314 -9.226 1.00 0.00 C ATOM 1500 C ARG A 90 1.737 -8.903 -8.441 1.00 0.00 C ATOM 1501 O ARG A 90 1.210 -8.286 -7.536 1.00 0.00 O ATOM 1502 CB ARG A 90 3.874 -7.621 -8.257 1.00 0.00 C ATOM 1503 CG ARG A 90 5.202 -8.382 -8.221 1.00 0.00 C ATOM 1504 CD ARG A 90 5.602 -8.644 -6.768 1.00 0.00 C ATOM 1505 NE ARG A 90 7.047 -8.331 -6.585 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.511 -8.068 -5.395 1.00 0.00 C ATOM 1507 NH1 ARG A 90 6.811 -8.374 -4.338 1.00 0.00 N ATOM 1508 NH2 ARG A 90 8.678 -7.498 -5.261 1.00 0.00 N ATOM 0 H ARG A 90 1.394 -7.182 -10.211 1.00 0.00 H new ATOM 0 HA ARG A 90 3.436 -9.113 -9.751 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.042 -6.590 -8.570 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.437 -7.584 -7.259 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.107 -9.325 -8.759 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.978 -7.805 -8.724 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.999 -8.032 -6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.409 -9.685 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 90 7.673 -8.322 -7.390 1.00 0.00 H new ATOM 0 HH11 ARG A 90 5.899 -8.820 -4.441 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.175 -8.168 -3.408 1.00 0.00 H new ATOM 0 HH21 ARG A 90 9.226 -7.259 -6.087 1.00 0.00 H new ATOM 0 HH22 ARG A 90 9.041 -7.292 -4.330 1.00 0.00 H new ATOM 1522 N ALA A 91 1.326 -10.092 -8.780 1.00 0.00 N ATOM 1523 CA ALA A 91 0.189 -10.725 -8.054 1.00 0.00 C ATOM 1524 C ALA A 91 0.737 -11.644 -6.960 1.00 0.00 C ATOM 1525 O ALA A 91 1.526 -12.530 -7.217 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.652 -11.543 -9.037 1.00 0.00 C ATOM 0 H ALA A 91 1.729 -10.654 -9.530 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.433 -9.952 -7.603 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.484 -12.006 -8.506 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.039 -10.888 -9.817 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.033 -12.318 -9.488 1.00 0.00 H new ATOM 1532 N ASP A 92 0.326 -11.436 -5.739 1.00 0.00 N ATOM 1533 CA ASP A 92 0.827 -12.295 -4.630 1.00 0.00 C ATOM 1534 C ASP A 92 -0.349 -13.001 -3.956 1.00 0.00 C ATOM 1535 O ASP A 92 -0.292 -14.177 -3.656 1.00 0.00 O ATOM 1536 CB ASP A 92 1.558 -11.428 -3.603 1.00 0.00 C ATOM 1537 CG ASP A 92 3.014 -11.882 -3.496 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.816 -11.426 -4.295 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.304 -12.678 -2.619 1.00 0.00 O ATOM 0 H ASP A 92 -0.334 -10.709 -5.462 1.00 0.00 H new ATOM 0 HA ASP A 92 1.514 -13.040 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.514 -10.380 -3.899 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.069 -11.506 -2.632 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.415 -12.291 -3.713 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.594 -12.920 -3.056 1.00 0.00 C ATOM 1546 C GLY A 93 -3.805 -11.992 -3.170 1.00 0.00 C ATOM 1547 O GLY A 93 -4.043 -11.388 -4.196 1.00 0.00 O ATOM 0 H GLY A 93 -1.521 -11.302 -3.941 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.814 -13.880 -3.524 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.374 -13.120 -2.007 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.575 -11.877 -2.121 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.773 -10.992 -2.167 1.00 0.00 C ATOM 1553 C LEU A 94 -5.372 -9.605 -2.672 1.00 0.00 C ATOM 1554 O LEU A 94 -6.182 -8.872 -3.205 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.367 -10.869 -0.762 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.640 -11.712 -0.668 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.319 -13.047 0.005 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.685 -10.963 0.162 1.00 0.00 C ATOM 0 H LEU A 94 -4.425 -12.358 -1.234 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.513 -11.421 -2.842 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.642 -11.202 -0.019 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.592 -9.826 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.031 -11.894 -1.669 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.226 -13.648 0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.573 -13.581 -0.583 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.929 -12.865 1.007 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.593 -11.562 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.293 -10.782 1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.914 -10.010 -0.315 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.131 -9.236 -2.508 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.689 -7.893 -2.978 1.00 0.00 C ATOM 1572 C TYR A 95 -2.719 -8.055 -4.149 1.00 0.00 C ATOM 1573 O TYR A 95 -1.723 -8.744 -4.053 1.00 0.00 O ATOM 1574 CB TYR A 95 -2.990 -7.156 -1.835 1.00 0.00 C ATOM 1575 CG TYR A 95 -3.919 -7.068 -0.647 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.166 -6.442 -0.777 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -3.534 -7.614 0.585 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.027 -6.361 0.324 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -4.397 -7.532 1.687 1.00 0.00 C ATOM 1580 CZ TYR A 95 -5.643 -6.906 1.557 1.00 0.00 C ATOM 1581 OH TYR A 95 -6.492 -6.826 2.642 1.00 0.00 O ATOM 0 H TYR A 95 -3.406 -9.805 -2.070 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.557 -7.319 -3.303 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.075 -7.680 -1.556 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.699 -6.156 -2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.463 -6.022 -1.727 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.573 -8.097 0.685 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.988 -5.878 0.223 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.101 -7.952 2.637 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.073 -7.254 3.418 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.001 -7.422 -5.255 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.095 -7.539 -6.433 1.00 0.00 C ATOM 1593 C VAL A 96 -1.833 -6.148 -7.016 1.00 0.00 C ATOM 1594 O VAL A 96 -2.509 -5.194 -6.692 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.761 -8.417 -7.495 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.984 -8.317 -8.810 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.772 -9.872 -7.020 1.00 0.00 C ATOM 0 H VAL A 96 -3.819 -6.829 -5.394 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.150 -7.987 -6.125 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.784 -8.076 -7.654 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.461 -8.944 -9.563 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.977 -7.282 -9.151 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.959 -8.655 -8.654 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.246 -10.498 -7.776 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.748 -10.210 -6.859 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.329 -9.946 -6.086 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.859 -6.027 -7.878 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.562 -4.702 -8.489 1.00 0.00 C ATOM 1609 C ASP A 97 -0.950 -4.745 -9.968 1.00 0.00 C ATOM 1610 O ASP A 97 -0.860 -5.774 -10.606 1.00 0.00 O ATOM 1611 CB ASP A 97 0.931 -4.401 -8.355 1.00 0.00 C ATOM 1612 CG ASP A 97 1.259 -4.097 -6.893 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.871 -4.883 -6.044 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.891 -3.084 -6.645 1.00 0.00 O ATOM 0 H ASP A 97 -0.256 -6.791 -8.185 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.129 -3.921 -7.981 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.517 -5.252 -8.701 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.200 -3.552 -8.984 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.398 -3.649 -10.519 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.803 -3.668 -11.955 1.00 0.00 C ATOM 1621 C LEU A 98 -1.236 -2.458 -12.697 1.00 0.00 C ATOM 1622 O LEU A 98 -1.412 -1.323 -12.296 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.328 -3.647 -12.051 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.788 -4.693 -13.067 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.319 -4.282 -14.461 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.186 -6.055 -12.707 1.00 0.00 C ATOM 0 H LEU A 98 -1.500 -2.752 -10.045 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.409 -4.575 -12.414 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.768 -3.854 -11.075 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.671 -2.657 -12.351 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.876 -4.763 -13.052 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.645 -5.025 -15.188 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.746 -3.312 -14.717 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.231 -4.215 -14.474 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.514 -6.801 -13.431 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.098 -5.988 -12.723 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.517 -6.347 -11.710 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.575 -2.703 -13.796 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.006 -1.590 -14.602 1.00 0.00 C ATOM 1640 C ARG A 99 -0.579 -1.669 -16.019 1.00 0.00 C ATOM 1641 O ARG A 99 -0.624 -2.723 -16.624 1.00 0.00 O ATOM 1642 CB ARG A 99 1.518 -1.723 -14.657 1.00 0.00 C ATOM 1643 CG ARG A 99 1.892 -3.020 -15.378 1.00 0.00 C ATOM 1644 CD ARG A 99 2.551 -2.688 -16.719 1.00 0.00 C ATOM 1645 NE ARG A 99 3.965 -3.156 -16.706 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.755 -2.879 -17.708 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.827 -3.690 -18.728 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.475 -1.790 -17.689 1.00 0.00 N ATOM 0 H ARG A 99 -0.405 -3.636 -14.171 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.264 -0.633 -14.149 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.950 -0.868 -15.177 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.930 -1.724 -13.648 1.00 0.00 H new ATOM 0 HG2 ARG A 99 2.573 -3.608 -14.762 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.002 -3.629 -15.539 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.006 -3.166 -17.533 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.514 -1.614 -16.899 1.00 0.00 H new ATOM 0 HE ARG A 99 4.317 -3.693 -15.914 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.266 -4.542 -18.743 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.445 -3.472 -19.510 1.00 0.00 H new ATOM 0 HH21 ARG A 99 5.420 -1.156 -16.892 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.092 -1.573 -18.471 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.027 -0.565 -16.551 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.601 -0.585 -17.926 1.00 0.00 C ATOM 1664 C ARG A 100 -0.498 -0.299 -18.946 1.00 0.00 C ATOM 1665 O ARG A 100 0.457 0.396 -18.663 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.690 0.483 -18.040 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.552 0.201 -19.271 1.00 0.00 C ATOM 1668 CD ARG A 100 -4.164 1.508 -19.777 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.646 1.443 -19.655 1.00 0.00 N ATOM 1670 CZ ARG A 100 -6.330 2.529 -19.420 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -5.856 3.690 -19.782 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -7.487 2.454 -18.822 1.00 0.00 N ATOM 0 H ARG A 100 -1.021 0.347 -16.095 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.032 -1.566 -18.124 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.308 0.485 -17.142 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.238 1.472 -18.118 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -2.947 -0.257 -20.054 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -4.340 -0.509 -19.021 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -3.778 2.349 -19.202 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.881 1.676 -20.816 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.127 0.549 -19.755 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.951 3.748 -20.249 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.391 4.539 -19.598 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.857 1.547 -18.538 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.022 3.303 -18.638 1.00 0.00 H new ATOM 1686 N PHE A 101 -0.622 -0.830 -20.131 1.00 0.00 N ATOM 1687 CA PHE A 101 0.420 -0.587 -21.168 1.00 0.00 C ATOM 1688 C PHE A 101 -0.247 -0.115 -22.461 1.00 0.00 C ATOM 1689 O PHE A 101 -1.409 -0.376 -22.704 1.00 0.00 O ATOM 1690 CB PHE A 101 1.188 -1.883 -21.436 1.00 0.00 C ATOM 1691 CG PHE A 101 2.409 -1.580 -22.271 1.00 0.00 C ATOM 1692 CD1 PHE A 101 2.325 -1.606 -23.669 1.00 0.00 C ATOM 1693 CD2 PHE A 101 3.625 -1.272 -21.647 1.00 0.00 C ATOM 1694 CE1 PHE A 101 3.458 -1.322 -24.444 1.00 0.00 C ATOM 1695 CE2 PHE A 101 4.757 -0.988 -22.421 1.00 0.00 C ATOM 1696 CZ PHE A 101 4.674 -1.015 -23.820 1.00 0.00 C ATOM 0 H PHE A 101 -1.399 -1.421 -20.426 1.00 0.00 H new ATOM 0 HA PHE A 101 1.111 0.178 -20.814 1.00 0.00 H new ATOM 0 HB2 PHE A 101 1.484 -2.345 -20.494 1.00 0.00 H new ATOM 0 HB3 PHE A 101 0.548 -2.597 -21.954 1.00 0.00 H new ATOM 0 HD1 PHE A 101 1.388 -1.845 -24.150 1.00 0.00 H new ATOM 0 HD2 PHE A 101 3.689 -1.254 -20.569 1.00 0.00 H new ATOM 0 HE1 PHE A 101 3.393 -1.340 -25.522 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.694 -0.748 -21.940 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.548 -0.799 -24.417 1.00 0.00 H new ATOM 1706 N PHE A 102 0.480 0.579 -23.294 1.00 0.00 N ATOM 1707 CA PHE A 102 -0.111 1.067 -24.572 1.00 0.00 C ATOM 1708 C PHE A 102 -0.349 -0.118 -25.510 1.00 0.00 C ATOM 1709 O PHE A 102 -0.863 -1.122 -25.045 1.00 0.00 O ATOM 1710 CB PHE A 102 0.852 2.055 -25.234 1.00 0.00 C ATOM 1711 CG PHE A 102 0.101 3.305 -25.626 1.00 0.00 C ATOM 1712 CD1 PHE A 102 -1.166 3.205 -26.215 1.00 0.00 C ATOM 1713 CD2 PHE A 102 0.673 4.565 -25.403 1.00 0.00 C ATOM 1714 CE1 PHE A 102 -1.863 4.364 -26.580 1.00 0.00 C ATOM 1715 CE2 PHE A 102 -0.024 5.725 -25.769 1.00 0.00 C ATOM 1716 CZ PHE A 102 -1.291 5.624 -26.357 1.00 0.00 C ATOM 1717 OXT PHE A 102 -0.014 -0.001 -26.677 1.00 0.00 O ATOM 0 H PHE A 102 1.458 0.829 -23.145 1.00 0.00 H new ATOM 0 HA PHE A 102 -1.059 1.564 -24.367 1.00 0.00 H new ATOM 0 HB2 PHE A 102 1.662 2.305 -24.548 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.308 1.601 -26.114 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.606 2.234 -26.388 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.650 4.642 -24.949 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -2.840 4.287 -27.033 1.00 0.00 H new ATOM 0 HE2 PHE A 102 0.416 6.696 -25.598 1.00 0.00 H new ATOM 0 HZ PHE A 102 -1.828 6.518 -26.639 1.00 0.00 H new TER 1727 PHE A 102