USER MOD reduce.3.24.130724 H: found=0, std=0, add=939, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 926 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 72 CYS SG : rot 94:sc= 0.889 USER MOD Set 1.2: A 90 CYS SG : rot 34:sc= -0.589 USER MOD Set 2.1: A 81 THR OG1 : rot -77:sc= 1.73 USER MOD Set 2.2: A 86 LYS NZ :NH3+ -175:sc= 1.79 (180deg=0.976) USER MOD Set 3.1: A 62 CYS SG : rot 180:sc= 0.898 USER MOD Set 3.2: A 76 CYS SG : rot -36:sc= 0.481 USER MOD Set 4.1: A 46 ASN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Set 4.2: A 60 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 48 SER OG : rot 180:sc= 0.369 USER MOD Set 5.2: A 57 ASN : amide:sc= 1.63 K(o=2,f=-3.2!) USER MOD Set 6.1: A 43 THR OG1 : rot 180:sc= 0.701 USER MOD Set 6.2: A 49 LYS NZ :NH3+ 172:sc= 0.789 (180deg=0) USER MOD Set 7.1: A 42 ASN : amide:sc= 0.946 K(o=3.3,f=1.5) USER MOD Set 7.2: A 55 GLN : amide:sc= 2.31 K(o=3.3,f=-0.37) USER MOD Set 8.1: A 35 SER OG : rot -170:sc= 0.543 USER MOD Set 8.2: A 40 LYS NZ :NH3+ 177:sc= 0.555 (180deg=0) USER MOD Set 9.1: A 28 CYS SG : rot 60:sc=-0.00678 USER MOD Set 9.2: A 109 HIS : no HD1:sc= 0.244 K(o=-0.044,f=-2.1!) USER MOD Set 9.3: A 110 CYS SG : rot -54:sc= -0.281 USER MOD Set10.1: A 7 CYS SG : rot 180:sc= 0.549 USER MOD Set10.2: A 119 SER OG : rot 180:sc= 0.0165 USER MOD Set10.3: A 120 CYS SG : rot -56:sc= 0.385 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0.907 (180deg=0.907) USER MOD Single : A 2 LYS NZ :NH3+ 139:sc= 0.976 (180deg=0.0708) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 HIS : no HD1:sc= 1.04 K(o=1,f=-3.2!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -0.194 K(o=-0.19,f=-2.1) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 147:sc= -0.166 (180deg=-3.76!) USER MOD Single : A 25 ASN : amide:sc= 0.227 K(o=0.23,f=-1) USER MOD Single : A 32 HIS :FLIP no HD1:sc= -0.205 F(o=-1.5,f=-0.21) USER MOD Single : A 34 SER OG : rot -117:sc= 1.03 USER MOD Single : A 38 THR OG1 : rot -67:sc= 1.3 USER MOD Single : A 39 SER OG : rot 60:sc= -0.366 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 163:sc= 1 (180deg=0.795) USER MOD Single : A 73 ASN : amide:sc= -0.0466 K(o=-0.047,f=-0.84) USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= 0.395 (180deg=0.0658) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 171:sc= 0.891 (180deg=0.837) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 1.02 (180deg=0.977) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 HIS : no HD1:sc= -0.0521 X(o=-0.052,f=-0.052) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -174:sc= 1.26 (180deg=1.15) USER MOD Single : A 108 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 111 GLN : amide:sc= 1.5 K(o=1.5,f=-0.009) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 118 SER OG : rot 77:sc= 1.11 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.816 -7.705 10.192 1.00 0.00 N ATOM 2 CA GLY A 1 -8.104 -7.776 8.904 1.00 0.00 C ATOM 3 C GLY A 1 -8.778 -8.749 7.953 1.00 0.00 C ATOM 4 O GLY A 1 -9.337 -9.765 8.370 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.331 -7.032 10.820 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.793 -7.387 10.031 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.827 -8.646 10.635 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.070 -6.786 8.450 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -7.072 -8.085 9.073 1.00 0.00 H new ATOM 10 N LYS A 2 -8.703 -8.442 6.658 1.00 0.00 N ATOM 11 CA LYS A 2 -9.299 -9.189 5.541 1.00 0.00 C ATOM 12 C LYS A 2 -8.487 -9.073 4.232 1.00 0.00 C ATOM 13 O LYS A 2 -7.665 -8.160 4.064 1.00 0.00 O ATOM 14 CB LYS A 2 -10.759 -8.722 5.333 1.00 0.00 C ATOM 15 CG LYS A 2 -10.868 -7.251 4.880 1.00 0.00 C ATOM 16 CD LYS A 2 -12.297 -6.816 4.517 1.00 0.00 C ATOM 17 CE LYS A 2 -12.646 -6.950 3.022 1.00 0.00 C ATOM 18 NZ LYS A 2 -12.820 -8.353 2.562 1.00 0.00 N ATOM 0 H LYS A 2 -8.196 -7.617 6.338 1.00 0.00 H new ATOM 0 HA LYS A 2 -9.284 -10.246 5.806 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -11.235 -9.361 4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -11.311 -8.851 6.264 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -10.494 -6.607 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -10.221 -7.098 4.016 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -13.003 -7.411 5.096 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -12.434 -5.777 4.817 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -13.564 -6.398 2.824 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -11.858 -6.481 2.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.632 -8.408 1.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -11.960 -8.665 2.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -12.990 -8.969 3.383 1.00 0.00 H new ATOM 32 N THR A 3 -8.804 -9.953 3.276 1.00 0.00 N ATOM 33 CA THR A 3 -8.285 -9.958 1.898 1.00 0.00 C ATOM 34 C THR A 3 -9.313 -9.333 0.958 1.00 0.00 C ATOM 35 O THR A 3 -10.518 -9.436 1.195 1.00 0.00 O ATOM 36 CB THR A 3 -7.917 -11.387 1.465 1.00 0.00 C ATOM 37 OG1 THR A 3 -7.160 -11.998 2.489 1.00 0.00 O ATOM 38 CG2 THR A 3 -7.058 -11.416 0.199 1.00 0.00 C ATOM 0 H THR A 3 -9.458 -10.717 3.446 1.00 0.00 H new ATOM 0 HA THR A 3 -7.375 -9.360 1.853 1.00 0.00 H new ATOM 0 HB THR A 3 -8.854 -11.909 1.269 1.00 0.00 H new ATOM 0 HG1 THR A 3 -6.923 -12.910 2.221 1.00 0.00 H new ATOM 0 HG21 THR A 3 -6.828 -12.449 -0.061 1.00 0.00 H new ATOM 0 HG22 THR A 3 -7.603 -10.948 -0.621 1.00 0.00 H new ATOM 0 HG23 THR A 3 -6.131 -10.871 0.376 1.00 0.00 H new ATOM 46 N PHE A 4 -8.832 -8.686 -0.102 1.00 0.00 N ATOM 47 CA PHE A 4 -9.617 -8.062 -1.171 1.00 0.00 C ATOM 48 C PHE A 4 -9.375 -8.795 -2.501 1.00 0.00 C ATOM 49 O PHE A 4 -8.313 -9.381 -2.729 1.00 0.00 O ATOM 50 CB PHE A 4 -9.242 -6.567 -1.286 1.00 0.00 C ATOM 51 CG PHE A 4 -9.678 -5.702 -0.111 1.00 0.00 C ATOM 52 CD1 PHE A 4 -9.018 -5.796 1.132 1.00 0.00 C ATOM 53 CD2 PHE A 4 -10.755 -4.801 -0.252 1.00 0.00 C ATOM 54 CE1 PHE A 4 -9.464 -5.041 2.232 1.00 0.00 C ATOM 55 CE2 PHE A 4 -11.199 -4.049 0.850 1.00 0.00 C ATOM 56 CZ PHE A 4 -10.562 -4.176 2.096 1.00 0.00 C ATOM 0 H PHE A 4 -7.829 -8.576 -0.248 1.00 0.00 H new ATOM 0 HA PHE A 4 -10.678 -8.136 -0.933 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -8.160 -6.487 -1.395 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -9.685 -6.166 -2.197 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -8.166 -6.451 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -11.240 -4.689 -1.210 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.961 -5.127 3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -12.033 -3.371 0.738 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.915 -3.611 2.946 1.00 0.00 H new ATOM 66 N THR A 5 -10.359 -8.721 -3.402 1.00 0.00 N ATOM 67 CA THR A 5 -10.247 -9.151 -4.810 1.00 0.00 C ATOM 68 C THR A 5 -9.879 -7.946 -5.669 1.00 0.00 C ATOM 69 O THR A 5 -10.060 -6.816 -5.219 1.00 0.00 O ATOM 70 CB THR A 5 -11.522 -9.869 -5.271 1.00 0.00 C ATOM 71 OG1 THR A 5 -11.249 -10.446 -6.527 1.00 0.00 O ATOM 72 CG2 THR A 5 -12.746 -8.960 -5.411 1.00 0.00 C ATOM 0 H THR A 5 -11.282 -8.352 -3.172 1.00 0.00 H new ATOM 0 HA THR A 5 -9.449 -9.886 -4.918 1.00 0.00 H new ATOM 0 HB THR A 5 -11.775 -10.601 -4.505 1.00 0.00 H new ATOM 0 HG1 THR A 5 -12.045 -10.916 -6.851 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.601 -9.550 -5.741 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.971 -8.502 -4.448 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.538 -8.181 -6.144 1.00 0.00 H new ATOM 80 N ARG A 6 -9.370 -8.144 -6.890 1.00 0.00 N ATOM 81 CA ARG A 6 -8.907 -7.036 -7.744 1.00 0.00 C ATOM 82 C ARG A 6 -10.014 -6.000 -7.982 1.00 0.00 C ATOM 83 O ARG A 6 -9.795 -4.812 -7.753 1.00 0.00 O ATOM 84 CB ARG A 6 -8.326 -7.573 -9.061 1.00 0.00 C ATOM 85 CG ARG A 6 -7.619 -6.458 -9.854 1.00 0.00 C ATOM 86 CD ARG A 6 -6.929 -6.989 -11.115 1.00 0.00 C ATOM 87 NE ARG A 6 -5.804 -7.881 -10.779 1.00 0.00 N ATOM 88 CZ ARG A 6 -5.425 -8.984 -11.409 1.00 0.00 C ATOM 89 NH1 ARG A 6 -6.080 -9.474 -12.442 1.00 0.00 N ATOM 90 NH2 ARG A 6 -4.348 -9.609 -10.996 1.00 0.00 N ATOM 0 H ARG A 6 -9.266 -9.066 -7.314 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.107 -6.517 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.620 -8.376 -8.849 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -9.125 -8.002 -9.666 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -8.347 -5.697 -10.134 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.881 -5.973 -9.215 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -7.652 -7.528 -11.727 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -6.566 -6.153 -11.712 1.00 0.00 H new ATOM 0 HE ARG A 6 -5.251 -7.618 -9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.915 -9.001 -12.787 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -5.752 -10.326 -12.896 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -3.819 -9.245 -10.204 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -4.040 -10.459 -11.467 1.00 0.00 H new ATOM 104 N CYS A 7 -11.227 -6.434 -8.339 1.00 0.00 N ATOM 105 CA CYS A 7 -12.381 -5.539 -8.535 1.00 0.00 C ATOM 106 C CYS A 7 -12.749 -4.754 -7.265 1.00 0.00 C ATOM 107 O CYS A 7 -13.042 -3.562 -7.343 1.00 0.00 O ATOM 108 CB CYS A 7 -13.582 -6.351 -9.038 1.00 0.00 C ATOM 109 SG CYS A 7 -13.292 -7.270 -10.575 1.00 0.00 S ATOM 0 H CYS A 7 -11.441 -7.418 -8.502 1.00 0.00 H new ATOM 0 HA CYS A 7 -12.098 -4.798 -9.282 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -13.877 -7.056 -8.260 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -14.422 -5.674 -9.190 1.00 0.00 H new ATOM 0 HG CYS A 7 -14.370 -7.918 -10.903 1.00 0.00 H new ATOM 114 N GLY A 8 -12.643 -5.389 -6.091 1.00 0.00 N ATOM 115 CA GLY A 8 -12.876 -4.756 -4.789 1.00 0.00 C ATOM 116 C GLY A 8 -11.792 -3.735 -4.459 1.00 0.00 C ATOM 117 O GLY A 8 -12.113 -2.612 -4.088 1.00 0.00 O ATOM 0 H GLY A 8 -12.388 -6.374 -6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.850 -4.266 -4.791 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -12.905 -5.520 -4.012 1.00 0.00 H new ATOM 121 N LEU A 9 -10.517 -4.084 -4.659 1.00 0.00 N ATOM 122 CA LEU A 9 -9.366 -3.205 -4.474 1.00 0.00 C ATOM 123 C LEU A 9 -9.412 -2.000 -5.421 1.00 0.00 C ATOM 124 O LEU A 9 -9.319 -0.877 -4.939 1.00 0.00 O ATOM 125 CB LEU A 9 -8.090 -4.054 -4.640 1.00 0.00 C ATOM 126 CG LEU A 9 -6.799 -3.258 -4.392 1.00 0.00 C ATOM 127 CD1 LEU A 9 -6.772 -2.675 -2.975 1.00 0.00 C ATOM 128 CD2 LEU A 9 -5.576 -4.152 -4.618 1.00 0.00 C ATOM 0 H LEU A 9 -10.253 -5.020 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.377 -2.774 -3.473 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.129 -4.896 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.066 -4.469 -5.648 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.771 -2.429 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.847 -2.117 -2.829 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.623 -2.008 -2.840 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.826 -3.485 -2.247 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.667 -3.577 -4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.611 -4.998 -3.931 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.578 -4.518 -5.645 1.00 0.00 H new ATOM 140 N VAL A 10 -9.629 -2.210 -6.723 1.00 0.00 N ATOM 141 CA VAL A 10 -9.811 -1.128 -7.713 1.00 0.00 C ATOM 142 C VAL A 10 -10.866 -0.121 -7.225 1.00 0.00 C ATOM 143 O VAL A 10 -10.634 1.083 -7.242 1.00 0.00 O ATOM 144 CB VAL A 10 -10.203 -1.692 -9.104 1.00 0.00 C ATOM 145 CG1 VAL A 10 -10.721 -0.608 -10.062 1.00 0.00 C ATOM 146 CG2 VAL A 10 -9.017 -2.391 -9.786 1.00 0.00 C ATOM 0 H VAL A 10 -9.685 -3.144 -7.130 1.00 0.00 H new ATOM 0 HA VAL A 10 -8.857 -0.612 -7.819 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.002 -2.406 -8.906 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.980 -1.061 -11.019 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.605 -0.136 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.946 0.143 -10.214 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.330 -2.773 -10.758 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.203 -1.678 -9.921 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.675 -3.218 -9.164 1.00 0.00 H new ATOM 156 N HIS A 11 -12.002 -0.612 -6.724 1.00 0.00 N ATOM 157 CA HIS A 11 -13.088 0.224 -6.190 1.00 0.00 C ATOM 158 C HIS A 11 -12.719 0.939 -4.877 1.00 0.00 C ATOM 159 O HIS A 11 -12.998 2.128 -4.727 1.00 0.00 O ATOM 160 CB HIS A 11 -14.340 -0.639 -5.985 1.00 0.00 C ATOM 161 CG HIS A 11 -15.047 -1.084 -7.243 1.00 0.00 C ATOM 162 ND1 HIS A 11 -16.295 -1.713 -7.254 1.00 0.00 N ATOM 163 CD2 HIS A 11 -14.623 -0.919 -8.534 1.00 0.00 C ATOM 164 CE1 HIS A 11 -16.586 -1.921 -8.548 1.00 0.00 C ATOM 165 NE2 HIS A 11 -15.605 -1.456 -9.338 1.00 0.00 N ATOM 0 H HIS A 11 -12.199 -1.612 -6.676 1.00 0.00 H new ATOM 0 HA HIS A 11 -13.279 1.008 -6.923 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -14.058 -1.525 -5.417 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -15.047 -0.080 -5.372 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -13.701 -0.459 -8.858 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -17.487 -2.398 -8.905 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -15.589 -1.494 -10.357 1.00 0.00 H new ATOM 173 N GLU A 12 -12.071 0.239 -3.945 1.00 0.00 N ATOM 174 CA GLU A 12 -11.656 0.775 -2.646 1.00 0.00 C ATOM 175 C GLU A 12 -10.661 1.931 -2.823 1.00 0.00 C ATOM 176 O GLU A 12 -10.812 2.985 -2.213 1.00 0.00 O ATOM 177 CB GLU A 12 -11.066 -0.371 -1.800 1.00 0.00 C ATOM 178 CG GLU A 12 -11.293 -0.229 -0.294 1.00 0.00 C ATOM 179 CD GLU A 12 -12.789 -0.209 0.071 1.00 0.00 C ATOM 180 OE1 GLU A 12 -13.478 -1.239 -0.114 1.00 0.00 O ATOM 181 OE2 GLU A 12 -13.288 0.837 0.547 1.00 0.00 O ATOM 0 H GLU A 12 -11.814 -0.739 -4.074 1.00 0.00 H new ATOM 0 HA GLU A 12 -12.519 1.186 -2.123 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -11.502 -1.313 -2.133 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -9.994 -0.431 -1.989 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -10.806 -1.055 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -10.823 0.690 0.057 1.00 0.00 H new ATOM 188 N LEU A 13 -9.702 1.786 -3.740 1.00 0.00 N ATOM 189 CA LEU A 13 -8.719 2.822 -4.068 1.00 0.00 C ATOM 190 C LEU A 13 -9.344 3.990 -4.839 1.00 0.00 C ATOM 191 O LEU A 13 -9.050 5.145 -4.537 1.00 0.00 O ATOM 192 CB LEU A 13 -7.588 2.177 -4.874 1.00 0.00 C ATOM 193 CG LEU A 13 -6.838 1.055 -4.142 1.00 0.00 C ATOM 194 CD1 LEU A 13 -5.867 0.399 -5.124 1.00 0.00 C ATOM 195 CD2 LEU A 13 -6.079 1.544 -2.908 1.00 0.00 C ATOM 0 H LEU A 13 -9.584 0.932 -4.285 1.00 0.00 H new ATOM 0 HA LEU A 13 -8.328 3.243 -3.142 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.002 1.775 -5.799 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -6.873 2.951 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 13 -7.578 0.340 -3.783 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.325 -0.401 -4.620 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -6.424 -0.014 -5.965 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -5.159 1.144 -5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -5.571 0.703 -2.436 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.344 2.292 -3.206 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.781 1.987 -2.201 1.00 0.00 H new ATOM 207 N ARG A 14 -10.249 3.714 -5.786 1.00 0.00 N ATOM 208 CA ARG A 14 -11.027 4.761 -6.479 1.00 0.00 C ATOM 209 C ARG A 14 -11.809 5.643 -5.488 1.00 0.00 C ATOM 210 O ARG A 14 -11.829 6.866 -5.634 1.00 0.00 O ATOM 211 CB ARG A 14 -11.993 4.145 -7.505 1.00 0.00 C ATOM 212 CG ARG A 14 -11.319 3.754 -8.828 1.00 0.00 C ATOM 213 CD ARG A 14 -12.286 2.906 -9.662 1.00 0.00 C ATOM 214 NE ARG A 14 -11.739 2.565 -10.986 1.00 0.00 N ATOM 215 CZ ARG A 14 -12.314 1.743 -11.861 1.00 0.00 C ATOM 216 NH1 ARG A 14 -13.500 1.218 -11.647 1.00 0.00 N ATOM 217 NH2 ARG A 14 -11.705 1.412 -12.977 1.00 0.00 N ATOM 0 H ARG A 14 -10.465 2.766 -6.096 1.00 0.00 H new ATOM 0 HA ARG A 14 -10.310 5.393 -7.003 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -12.457 3.261 -7.069 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -12.793 4.856 -7.711 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.033 4.649 -9.381 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.404 3.195 -8.631 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -12.519 1.989 -9.121 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -13.223 3.448 -9.788 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.852 2.991 -11.253 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -14.008 1.437 -10.790 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -13.913 0.592 -12.338 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -10.779 1.786 -13.183 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -12.159 0.781 -13.638 1.00 0.00 H new ATOM 231 N LYS A 15 -12.401 5.049 -4.445 1.00 0.00 N ATOM 232 CA LYS A 15 -13.081 5.775 -3.357 1.00 0.00 C ATOM 233 C LYS A 15 -12.104 6.515 -2.418 1.00 0.00 C ATOM 234 O LYS A 15 -12.445 7.570 -1.881 1.00 0.00 O ATOM 235 CB LYS A 15 -13.961 4.789 -2.568 1.00 0.00 C ATOM 236 CG LYS A 15 -15.186 4.325 -3.371 1.00 0.00 C ATOM 237 CD LYS A 15 -15.968 3.253 -2.601 1.00 0.00 C ATOM 238 CE LYS A 15 -17.186 2.801 -3.417 1.00 0.00 C ATOM 239 NZ LYS A 15 -17.989 1.782 -2.691 1.00 0.00 N ATOM 0 H LYS A 15 -12.423 4.036 -4.328 1.00 0.00 H new ATOM 0 HA LYS A 15 -13.700 6.549 -3.810 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.365 3.921 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.294 5.262 -1.644 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -15.835 5.176 -3.578 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.866 3.927 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.322 2.400 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.292 3.649 -1.639 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.812 3.664 -3.643 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -16.853 2.390 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.803 1.501 -3.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -17.398 0.948 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.328 2.182 -1.793 1.00 0.00 H new ATOM 253 N HIS A 16 -10.875 6.013 -2.270 1.00 0.00 N ATOM 254 CA HIS A 16 -9.828 6.571 -1.400 1.00 0.00 C ATOM 255 C HIS A 16 -8.897 7.596 -2.098 1.00 0.00 C ATOM 256 O HIS A 16 -7.947 8.087 -1.483 1.00 0.00 O ATOM 257 CB HIS A 16 -9.059 5.407 -0.746 1.00 0.00 C ATOM 258 CG HIS A 16 -9.883 4.579 0.218 1.00 0.00 C ATOM 259 ND1 HIS A 16 -11.237 4.748 0.536 1.00 0.00 N ATOM 260 CD2 HIS A 16 -9.398 3.531 0.942 1.00 0.00 C ATOM 261 CE1 HIS A 16 -11.529 3.771 1.410 1.00 0.00 C ATOM 262 NE2 HIS A 16 -10.446 3.029 1.681 1.00 0.00 N ATOM 0 H HIS A 16 -10.568 5.178 -2.769 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.314 7.165 -0.626 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -8.675 4.755 -1.530 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -8.196 5.810 -0.215 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -8.383 3.163 0.937 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -12.507 3.605 1.838 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.405 2.235 2.320 1.00 0.00 H new ATOM 270 N GLY A 17 -9.176 7.953 -3.361 1.00 0.00 N ATOM 271 CA GLY A 17 -8.512 9.049 -4.085 1.00 0.00 C ATOM 272 C GLY A 17 -7.301 8.623 -4.918 1.00 0.00 C ATOM 273 O GLY A 17 -6.355 9.400 -5.052 1.00 0.00 O ATOM 0 H GLY A 17 -9.885 7.478 -3.920 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.239 9.525 -4.743 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -8.193 9.802 -3.364 1.00 0.00 H new ATOM 277 N PHE A 18 -7.308 7.406 -5.466 1.00 0.00 N ATOM 278 CA PHE A 18 -6.286 6.899 -6.386 1.00 0.00 C ATOM 279 C PHE A 18 -6.768 7.078 -7.837 1.00 0.00 C ATOM 280 O PHE A 18 -7.932 6.818 -8.150 1.00 0.00 O ATOM 281 CB PHE A 18 -5.992 5.428 -6.068 1.00 0.00 C ATOM 282 CG PHE A 18 -5.282 5.173 -4.746 1.00 0.00 C ATOM 283 CD1 PHE A 18 -5.908 5.462 -3.518 1.00 0.00 C ATOM 284 CD2 PHE A 18 -3.982 4.633 -4.738 1.00 0.00 C ATOM 285 CE1 PHE A 18 -5.227 5.268 -2.310 1.00 0.00 C ATOM 286 CE2 PHE A 18 -3.306 4.410 -3.525 1.00 0.00 C ATOM 287 CZ PHE A 18 -3.926 4.735 -2.308 1.00 0.00 C ATOM 0 H PHE A 18 -8.045 6.727 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 18 -5.360 7.461 -6.264 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -6.934 4.879 -6.066 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.384 5.015 -6.873 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -6.921 5.836 -3.508 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -3.499 4.388 -5.672 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.703 5.529 -1.376 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.311 3.989 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.406 4.576 -1.375 1.00 0.00 H new ATOM 297 N GLU A 19 -5.877 7.531 -8.723 1.00 0.00 N ATOM 298 CA GLU A 19 -6.209 7.858 -10.115 1.00 0.00 C ATOM 299 C GLU A 19 -6.469 6.594 -10.947 1.00 0.00 C ATOM 300 O GLU A 19 -5.672 5.655 -10.924 1.00 0.00 O ATOM 301 CB GLU A 19 -5.069 8.666 -10.759 1.00 0.00 C ATOM 302 CG GLU A 19 -4.818 10.038 -10.119 1.00 0.00 C ATOM 303 CD GLU A 19 -6.022 10.981 -10.271 1.00 0.00 C ATOM 304 OE1 GLU A 19 -6.275 11.464 -11.400 1.00 0.00 O ATOM 305 OE2 GLU A 19 -6.716 11.251 -9.264 1.00 0.00 O ATOM 0 H GLU A 19 -4.895 7.683 -8.493 1.00 0.00 H new ATOM 0 HA GLU A 19 -7.122 8.454 -10.101 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.151 8.081 -10.705 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -5.294 8.808 -11.816 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.593 9.907 -9.061 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.941 10.495 -10.577 1.00 0.00 H new ATOM 312 N GLU A 20 -7.544 6.587 -11.742 1.00 0.00 N ATOM 313 CA GLU A 20 -7.910 5.454 -12.608 1.00 0.00 C ATOM 314 C GLU A 20 -6.834 5.100 -13.656 1.00 0.00 C ATOM 315 O GLU A 20 -6.728 3.945 -14.068 1.00 0.00 O ATOM 316 CB GLU A 20 -9.280 5.703 -13.268 1.00 0.00 C ATOM 317 CG GLU A 20 -9.305 6.882 -14.253 1.00 0.00 C ATOM 318 CD GLU A 20 -10.715 7.090 -14.824 1.00 0.00 C ATOM 319 OE1 GLU A 20 -11.041 6.493 -15.877 1.00 0.00 O ATOM 320 OE2 GLU A 20 -11.505 7.861 -14.228 1.00 0.00 O ATOM 0 H GLU A 20 -8.192 7.372 -11.805 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.981 4.580 -11.961 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.586 4.799 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -10.019 5.882 -12.487 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.975 7.790 -13.748 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.603 6.697 -15.066 1.00 0.00 H new ATOM 327 N ASN A 21 -5.986 6.063 -14.040 1.00 0.00 N ATOM 328 CA ASN A 21 -4.857 5.880 -14.948 1.00 0.00 C ATOM 329 C ASN A 21 -3.630 5.241 -14.248 1.00 0.00 C ATOM 330 O ASN A 21 -2.793 4.626 -14.912 1.00 0.00 O ATOM 331 CB ASN A 21 -4.583 7.267 -15.560 1.00 0.00 C ATOM 332 CG ASN A 21 -3.161 7.443 -16.065 1.00 0.00 C ATOM 333 OD1 ASN A 21 -2.788 6.988 -17.139 1.00 0.00 O ATOM 334 ND2 ASN A 21 -2.334 8.105 -15.278 1.00 0.00 N ATOM 0 H ASN A 21 -6.075 7.025 -13.712 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.086 5.164 -15.737 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.275 7.433 -16.385 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.790 8.032 -14.811 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.364 8.246 -15.560 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.665 8.476 -14.387 1.00 0.00 H new ATOM 341 N LEU A 22 -3.541 5.331 -12.911 1.00 0.00 N ATOM 342 CA LEU A 22 -2.494 4.700 -12.090 1.00 0.00 C ATOM 343 C LEU A 22 -2.959 3.392 -11.435 1.00 0.00 C ATOM 344 O LEU A 22 -2.129 2.635 -10.938 1.00 0.00 O ATOM 345 CB LEU A 22 -2.022 5.689 -11.007 1.00 0.00 C ATOM 346 CG LEU A 22 -1.463 7.032 -11.514 1.00 0.00 C ATOM 347 CD1 LEU A 22 -0.990 7.858 -10.310 1.00 0.00 C ATOM 348 CD2 LEU A 22 -0.311 6.872 -12.518 1.00 0.00 C ATOM 0 H LEU A 22 -4.214 5.859 -12.356 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.670 4.446 -12.756 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.860 5.895 -10.342 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.253 5.201 -10.408 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.268 7.539 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.592 8.812 -10.657 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.830 8.038 -9.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -0.211 7.312 -9.777 1.00 0.00 H new ATOM 0 HD21 LEU A 22 0.035 7.856 -12.834 1.00 0.00 H new ATOM 0 HD22 LEU A 22 0.510 6.333 -12.046 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.660 6.314 -13.387 1.00 0.00 H new ATOM 360 N MET A 23 -4.265 3.109 -11.435 1.00 0.00 N ATOM 361 CA MET A 23 -4.889 1.969 -10.749 1.00 0.00 C ATOM 362 C MET A 23 -4.212 0.629 -11.078 1.00 0.00 C ATOM 363 O MET A 23 -3.892 -0.131 -10.162 1.00 0.00 O ATOM 364 CB MET A 23 -6.389 1.978 -11.093 1.00 0.00 C ATOM 365 CG MET A 23 -7.262 1.177 -10.119 1.00 0.00 C ATOM 366 SD MET A 23 -7.160 1.700 -8.393 1.00 0.00 S ATOM 367 CE MET A 23 -7.609 3.442 -8.585 1.00 0.00 C ATOM 0 H MET A 23 -4.943 3.688 -11.930 1.00 0.00 H new ATOM 0 HA MET A 23 -4.759 2.076 -9.672 1.00 0.00 H new ATOM 0 HB2 MET A 23 -6.740 3.010 -11.113 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.522 1.576 -12.097 1.00 0.00 H new ATOM 0 HG2 MET A 23 -8.300 1.248 -10.443 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.979 0.126 -10.182 1.00 0.00 H new ATOM 0 HE1 MET A 23 -8.154 3.777 -7.702 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.705 4.040 -8.702 1.00 0.00 H new ATOM 0 HE3 MET A 23 -8.239 3.560 -9.467 1.00 0.00 H new ATOM 377 N ARG A 24 -3.889 0.380 -12.357 1.00 0.00 N ATOM 378 CA ARG A 24 -3.139 -0.806 -12.803 1.00 0.00 C ATOM 379 C ARG A 24 -1.803 -0.967 -12.060 1.00 0.00 C ATOM 380 O ARG A 24 -1.527 -2.037 -11.518 1.00 0.00 O ATOM 381 CB ARG A 24 -2.865 -0.746 -14.318 1.00 0.00 C ATOM 382 CG ARG A 24 -4.131 -0.621 -15.178 1.00 0.00 C ATOM 383 CD ARG A 24 -3.827 -0.709 -16.679 1.00 0.00 C ATOM 384 NE ARG A 24 -3.458 -2.077 -17.078 1.00 0.00 N ATOM 385 CZ ARG A 24 -3.000 -2.467 -18.261 1.00 0.00 C ATOM 386 NH1 ARG A 24 -2.774 -1.617 -19.240 1.00 0.00 N ATOM 387 NH2 ARG A 24 -2.762 -3.742 -18.474 1.00 0.00 N ATOM 0 H ARG A 24 -4.145 1.005 -13.121 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.765 -1.668 -12.573 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.212 0.102 -14.525 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -2.324 -1.645 -14.615 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.832 -1.410 -14.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.620 0.329 -14.964 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.700 -0.387 -17.247 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.015 -0.026 -16.927 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.566 -2.803 -16.370 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.951 -0.622 -19.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -2.422 -1.953 -20.136 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.929 -4.423 -17.733 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.410 -4.051 -19.380 1.00 0.00 H new ATOM 401 N ASN A 25 -0.998 0.099 -11.980 1.00 0.00 N ATOM 402 CA ASN A 25 0.277 0.104 -11.254 1.00 0.00 C ATOM 403 C ASN A 25 0.051 -0.166 -9.761 1.00 0.00 C ATOM 404 O ASN A 25 0.718 -1.025 -9.187 1.00 0.00 O ATOM 405 CB ASN A 25 1.015 1.448 -11.417 1.00 0.00 C ATOM 406 CG ASN A 25 1.528 1.750 -12.822 1.00 0.00 C ATOM 407 OD1 ASN A 25 0.990 1.312 -13.829 1.00 0.00 O ATOM 408 ND2 ASN A 25 2.597 2.521 -12.925 1.00 0.00 N ATOM 0 H ASN A 25 -1.216 0.992 -12.422 1.00 0.00 H new ATOM 0 HA ASN A 25 0.892 -0.688 -11.681 1.00 0.00 H new ATOM 0 HB2 ASN A 25 0.343 2.251 -11.114 1.00 0.00 H new ATOM 0 HB3 ASN A 25 1.860 1.464 -10.729 1.00 0.00 H new ATOM 0 HD21 ASN A 25 2.973 2.751 -13.845 1.00 0.00 H new ATOM 0 HD22 ASN A 25 3.045 2.886 -12.085 1.00 0.00 H new ATOM 415 N TRP A 26 -0.924 0.515 -9.145 1.00 0.00 N ATOM 416 CA TRP A 26 -1.230 0.388 -7.722 1.00 0.00 C ATOM 417 C TRP A 26 -1.699 -1.026 -7.349 1.00 0.00 C ATOM 418 O TRP A 26 -1.123 -1.624 -6.438 1.00 0.00 O ATOM 419 CB TRP A 26 -2.250 1.463 -7.322 1.00 0.00 C ATOM 420 CG TRP A 26 -1.683 2.834 -7.105 1.00 0.00 C ATOM 421 CD1 TRP A 26 -1.960 3.943 -7.829 1.00 0.00 C ATOM 422 CD2 TRP A 26 -0.781 3.275 -6.041 1.00 0.00 C ATOM 423 NE1 TRP A 26 -1.327 5.037 -7.268 1.00 0.00 N ATOM 424 CE2 TRP A 26 -0.624 4.690 -6.133 1.00 0.00 C ATOM 425 CE3 TRP A 26 -0.107 2.621 -4.986 1.00 0.00 C ATOM 426 CZ2 TRP A 26 0.106 5.427 -5.186 1.00 0.00 C ATOM 427 CZ3 TRP A 26 0.654 3.346 -4.049 1.00 0.00 C ATOM 428 CH2 TRP A 26 0.749 4.747 -4.137 1.00 0.00 C ATOM 0 H TRP A 26 -1.528 1.177 -9.631 1.00 0.00 H new ATOM 0 HA TRP A 26 -0.313 0.549 -7.155 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -3.014 1.522 -8.097 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -2.749 1.145 -6.407 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -2.582 3.970 -8.712 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -1.374 5.983 -7.646 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -0.176 1.547 -4.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 0.172 6.502 -5.263 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 1.169 2.823 -3.257 1.00 0.00 H new ATOM 0 HH2 TRP A 26 1.314 5.299 -3.401 1.00 0.00 H new ATOM 439 N VAL A 27 -2.665 -1.606 -8.072 1.00 0.00 N ATOM 440 CA VAL A 27 -3.133 -2.970 -7.751 1.00 0.00 C ATOM 441 C VAL A 27 -2.050 -4.021 -8.015 1.00 0.00 C ATOM 442 O VAL A 27 -1.913 -4.948 -7.227 1.00 0.00 O ATOM 443 CB VAL A 27 -4.469 -3.383 -8.411 1.00 0.00 C ATOM 444 CG1 VAL A 27 -5.562 -2.340 -8.145 1.00 0.00 C ATOM 445 CG2 VAL A 27 -4.357 -3.687 -9.912 1.00 0.00 C ATOM 0 H VAL A 27 -3.132 -1.169 -8.866 1.00 0.00 H new ATOM 0 HA VAL A 27 -3.342 -2.931 -6.682 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.751 -4.323 -7.937 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.490 -2.656 -8.621 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -5.719 -2.244 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.254 -1.378 -8.554 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.336 -3.969 -10.300 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.000 -2.801 -10.437 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.656 -4.507 -10.066 1.00 0.00 H new ATOM 455 N CYS A 28 -1.222 -3.852 -9.054 1.00 0.00 N ATOM 456 CA CYS A 28 -0.149 -4.803 -9.381 1.00 0.00 C ATOM 457 C CYS A 28 1.023 -4.747 -8.383 1.00 0.00 C ATOM 458 O CYS A 28 1.610 -5.780 -8.054 1.00 0.00 O ATOM 459 CB CYS A 28 0.297 -4.538 -10.820 1.00 0.00 C ATOM 460 SG CYS A 28 1.223 -5.894 -11.580 1.00 0.00 S ATOM 0 H CYS A 28 -1.276 -3.056 -9.690 1.00 0.00 H new ATOM 0 HA CYS A 28 -0.532 -5.820 -9.297 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -0.584 -4.331 -11.428 1.00 0.00 H new ATOM 0 HB3 CYS A 28 0.914 -3.640 -10.836 1.00 0.00 H new ATOM 0 HG CYS A 28 0.485 -6.964 -11.603 1.00 0.00 H new ATOM 465 N LEU A 29 1.301 -3.555 -7.839 1.00 0.00 N ATOM 466 CA LEU A 29 2.219 -3.312 -6.719 1.00 0.00 C ATOM 467 C LEU A 29 1.678 -3.995 -5.456 1.00 0.00 C ATOM 468 O LEU A 29 2.355 -4.836 -4.866 1.00 0.00 O ATOM 469 CB LEU A 29 2.385 -1.778 -6.599 1.00 0.00 C ATOM 470 CG LEU A 29 3.293 -1.203 -5.490 1.00 0.00 C ATOM 471 CD1 LEU A 29 3.490 0.296 -5.770 1.00 0.00 C ATOM 472 CD2 LEU A 29 2.700 -1.338 -4.080 1.00 0.00 C ATOM 0 H LEU A 29 0.873 -2.696 -8.183 1.00 0.00 H new ATOM 0 HA LEU A 29 3.207 -3.744 -6.876 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.763 -1.413 -7.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.392 -1.350 -6.464 1.00 0.00 H new ATOM 0 HG LEU A 29 4.224 -1.769 -5.510 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.129 0.729 -5.000 1.00 0.00 H new ATOM 0 HD12 LEU A 29 3.958 0.425 -6.746 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.522 0.798 -5.763 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.391 -0.913 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.750 -0.805 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.537 -2.392 -3.853 1.00 0.00 H new ATOM 484 N VAL A 30 0.437 -3.683 -5.074 1.00 0.00 N ATOM 485 CA VAL A 30 -0.217 -4.225 -3.867 1.00 0.00 C ATOM 486 C VAL A 30 -0.323 -5.759 -3.907 1.00 0.00 C ATOM 487 O VAL A 30 -0.076 -6.416 -2.896 1.00 0.00 O ATOM 488 CB VAL A 30 -1.602 -3.563 -3.673 1.00 0.00 C ATOM 489 CG1 VAL A 30 -2.497 -4.315 -2.682 1.00 0.00 C ATOM 490 CG2 VAL A 30 -1.432 -2.115 -3.182 1.00 0.00 C ATOM 0 H VAL A 30 -0.155 -3.038 -5.598 1.00 0.00 H new ATOM 0 HA VAL A 30 0.407 -3.983 -3.007 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.091 -3.589 -4.647 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -3.453 -3.799 -2.591 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -2.665 -5.330 -3.042 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.010 -4.351 -1.707 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.413 -1.658 -3.049 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.899 -2.113 -2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.864 -1.546 -3.918 1.00 0.00 H new ATOM 500 N GLU A 31 -0.618 -6.334 -5.078 1.00 0.00 N ATOM 501 CA GLU A 31 -0.673 -7.787 -5.288 1.00 0.00 C ATOM 502 C GLU A 31 0.679 -8.502 -5.092 1.00 0.00 C ATOM 503 O GLU A 31 0.686 -9.705 -4.833 1.00 0.00 O ATOM 504 CB GLU A 31 -1.216 -8.089 -6.698 1.00 0.00 C ATOM 505 CG GLU A 31 -2.743 -7.966 -6.744 1.00 0.00 C ATOM 506 CD GLU A 31 -3.342 -8.017 -8.152 1.00 0.00 C ATOM 507 OE1 GLU A 31 -2.657 -8.380 -9.133 1.00 0.00 O ATOM 508 OE2 GLU A 31 -4.561 -7.760 -8.270 1.00 0.00 O ATOM 0 H GLU A 31 -0.828 -5.797 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 31 -1.341 -8.179 -4.521 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.772 -7.400 -7.417 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -0.921 -9.095 -6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.178 -8.769 -6.149 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -3.034 -7.027 -6.273 1.00 0.00 H new ATOM 515 N HIS A 32 1.815 -7.796 -5.145 1.00 0.00 N ATOM 516 CA HIS A 32 3.129 -8.352 -4.811 1.00 0.00 C ATOM 517 C HIS A 32 3.536 -8.061 -3.351 1.00 0.00 C ATOM 518 O HIS A 32 4.143 -8.916 -2.702 1.00 0.00 O ATOM 519 CB HIS A 32 4.149 -7.804 -5.818 1.00 0.00 C ATOM 520 CG HIS A 32 5.538 -8.349 -5.618 1.00 0.00 C ATOM 521 ND1 HIS A 32 6.402 -7.950 -4.643 1.00 0.00 N flip ATOM 522 CD2 HIS A 32 6.138 -9.359 -6.372 1.00 0.00 C flip ATOM 523 CE1 HIS A 32 7.540 -8.712 -4.784 1.00 0.00 C flip ATOM 524 NE2 HIS A 32 7.351 -9.545 -5.823 1.00 0.00 N flip ATOM 0 H HIS A 32 1.847 -6.815 -5.423 1.00 0.00 H new ATOM 0 HA HIS A 32 3.092 -9.439 -4.884 1.00 0.00 H new ATOM 0 HB2 HIS A 32 3.815 -8.042 -6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 32 4.178 -6.717 -5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 32 5.716 -9.881 -7.218 1.00 0.00 H new ATOM 0 HE1 HIS A 32 8.426 -8.652 -4.170 1.00 0.00 H new ATOM 0 HE2 HIS A 32 8.036 -10.226 -6.150 1.00 0.00 H new ATOM 532 N GLU A 33 3.189 -6.880 -2.823 1.00 0.00 N ATOM 533 CA GLU A 33 3.592 -6.452 -1.478 1.00 0.00 C ATOM 534 C GLU A 33 2.794 -7.195 -0.392 1.00 0.00 C ATOM 535 O GLU A 33 3.373 -7.882 0.447 1.00 0.00 O ATOM 536 CB GLU A 33 3.446 -4.926 -1.327 1.00 0.00 C ATOM 537 CG GLU A 33 4.454 -4.110 -2.155 1.00 0.00 C ATOM 538 CD GLU A 33 5.925 -4.371 -1.794 1.00 0.00 C ATOM 539 OE1 GLU A 33 6.256 -4.479 -0.591 1.00 0.00 O ATOM 540 OE2 GLU A 33 6.759 -4.443 -2.725 1.00 0.00 O ATOM 0 H GLU A 33 2.620 -6.193 -3.318 1.00 0.00 H new ATOM 0 HA GLU A 33 4.643 -6.708 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.436 -4.638 -1.619 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.560 -4.664 -0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 33 4.306 -4.335 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.242 -3.049 -2.022 1.00 0.00 H new ATOM 547 N SER A 34 1.463 -7.108 -0.413 1.00 0.00 N ATOM 548 CA SER A 34 0.585 -7.740 0.588 1.00 0.00 C ATOM 549 C SER A 34 -0.275 -8.876 0.014 1.00 0.00 C ATOM 550 O SER A 34 -0.960 -9.565 0.765 1.00 0.00 O ATOM 551 CB SER A 34 -0.348 -6.684 1.178 1.00 0.00 C ATOM 552 OG SER A 34 -1.225 -6.189 0.179 1.00 0.00 O ATOM 0 H SER A 34 0.954 -6.593 -1.131 1.00 0.00 H new ATOM 0 HA SER A 34 1.238 -8.172 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.924 -7.115 1.997 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.237 -5.865 1.596 1.00 0.00 H new ATOM 0 HG SER A 34 -1.059 -5.233 0.043 1.00 0.00 H new ATOM 558 N SER A 35 -0.288 -9.055 -1.309 1.00 0.00 N ATOM 559 CA SER A 35 -1.215 -9.946 -2.028 1.00 0.00 C ATOM 560 C SER A 35 -2.689 -9.511 -1.891 1.00 0.00 C ATOM 561 O SER A 35 -3.592 -10.346 -1.987 1.00 0.00 O ATOM 562 CB SER A 35 -1.050 -11.423 -1.628 1.00 0.00 C ATOM 563 OG SER A 35 0.311 -11.831 -1.500 1.00 0.00 O ATOM 0 H SER A 35 0.362 -8.573 -1.931 1.00 0.00 H new ATOM 0 HA SER A 35 -0.940 -9.854 -3.079 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.562 -11.594 -0.681 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.540 -12.050 -2.373 1.00 0.00 H new ATOM 0 HG SER A 35 0.353 -12.805 -1.401 1.00 0.00 H new ATOM 569 N ARG A 36 -2.936 -8.214 -1.633 1.00 0.00 N ATOM 570 CA ARG A 36 -4.263 -7.629 -1.365 1.00 0.00 C ATOM 571 C ARG A 36 -4.822 -8.038 0.013 1.00 0.00 C ATOM 572 O ARG A 36 -6.037 -8.091 0.196 1.00 0.00 O ATOM 573 CB ARG A 36 -5.290 -7.916 -2.483 1.00 0.00 C ATOM 574 CG ARG A 36 -4.750 -7.814 -3.917 1.00 0.00 C ATOM 575 CD ARG A 36 -5.886 -7.813 -4.952 1.00 0.00 C ATOM 576 NE ARG A 36 -6.567 -9.118 -4.975 1.00 0.00 N ATOM 577 CZ ARG A 36 -6.562 -10.036 -5.934 1.00 0.00 C ATOM 578 NH1 ARG A 36 -6.019 -9.842 -7.117 1.00 0.00 N ATOM 579 NH2 ARG A 36 -7.133 -11.197 -5.701 1.00 0.00 N ATOM 0 H ARG A 36 -2.190 -7.519 -1.604 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.101 -6.551 -1.350 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.692 -8.918 -2.335 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.122 -7.220 -2.376 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.162 -6.902 -4.021 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.079 -8.650 -4.114 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.602 -7.027 -4.713 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.485 -7.589 -5.940 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.114 -9.347 -4.145 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.573 -8.951 -7.334 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.044 -10.583 -7.817 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.569 -11.379 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.140 -11.916 -6.424 1.00 0.00 H new ATOM 593 N ASP A 37 -3.957 -8.310 0.991 1.00 0.00 N ATOM 594 CA ASP A 37 -4.330 -8.747 2.352 1.00 0.00 C ATOM 595 C ASP A 37 -3.864 -7.756 3.428 1.00 0.00 C ATOM 596 O ASP A 37 -2.663 -7.571 3.644 1.00 0.00 O ATOM 597 CB ASP A 37 -3.772 -10.151 2.631 1.00 0.00 C ATOM 598 CG ASP A 37 -4.116 -10.696 4.032 1.00 0.00 C ATOM 599 OD1 ASP A 37 -5.004 -10.136 4.719 1.00 0.00 O ATOM 600 OD2 ASP A 37 -3.467 -11.686 4.446 1.00 0.00 O ATOM 0 H ASP A 37 -2.948 -8.233 0.862 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.419 -8.780 2.398 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.158 -10.840 1.880 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.688 -10.129 2.517 1.00 0.00 H new ATOM 605 N THR A 38 -4.827 -7.131 4.121 1.00 0.00 N ATOM 606 CA THR A 38 -4.545 -6.156 5.192 1.00 0.00 C ATOM 607 C THR A 38 -3.843 -6.784 6.389 1.00 0.00 C ATOM 608 O THR A 38 -3.112 -6.090 7.085 1.00 0.00 O ATOM 609 CB THR A 38 -5.798 -5.430 5.701 1.00 0.00 C ATOM 610 OG1 THR A 38 -6.783 -6.368 6.049 1.00 0.00 O ATOM 611 CG2 THR A 38 -6.406 -4.494 4.667 1.00 0.00 C ATOM 0 H THR A 38 -5.822 -7.285 3.958 1.00 0.00 H new ATOM 0 HA THR A 38 -3.884 -5.430 4.718 1.00 0.00 H new ATOM 0 HB THR A 38 -5.478 -4.839 6.559 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.099 -6.825 5.242 1.00 0.00 H new ATOM 0 HG21 THR A 38 -7.288 -4.011 5.087 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.675 -3.735 4.389 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.691 -5.064 3.783 1.00 0.00 H new ATOM 619 N SER A 39 -4.010 -8.083 6.623 1.00 0.00 N ATOM 620 CA SER A 39 -3.405 -8.787 7.758 1.00 0.00 C ATOM 621 C SER A 39 -1.921 -9.149 7.546 1.00 0.00 C ATOM 622 O SER A 39 -1.276 -9.659 8.466 1.00 0.00 O ATOM 623 CB SER A 39 -4.208 -10.062 8.056 1.00 0.00 C ATOM 624 OG SER A 39 -5.554 -9.779 8.424 1.00 0.00 O ATOM 0 H SER A 39 -4.575 -8.686 6.025 1.00 0.00 H new ATOM 0 HA SER A 39 -3.437 -8.099 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.202 -10.706 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.722 -10.615 8.860 1.00 0.00 H new ATOM 0 HG SER A 39 -6.000 -9.302 7.693 1.00 0.00 H new ATOM 630 N LYS A 40 -1.352 -8.914 6.354 1.00 0.00 N ATOM 631 CA LYS A 40 0.008 -9.352 6.018 1.00 0.00 C ATOM 632 C LYS A 40 1.102 -8.501 6.698 1.00 0.00 C ATOM 633 O LYS A 40 1.016 -7.267 6.740 1.00 0.00 O ATOM 634 CB LYS A 40 0.162 -9.421 4.481 1.00 0.00 C ATOM 635 CG LYS A 40 1.432 -10.213 4.096 1.00 0.00 C ATOM 636 CD LYS A 40 1.450 -10.898 2.720 1.00 0.00 C ATOM 637 CE LYS A 40 0.294 -11.893 2.536 1.00 0.00 C ATOM 638 NZ LYS A 40 0.435 -12.672 1.279 1.00 0.00 N ATOM 0 H LYS A 40 -1.822 -8.416 5.598 1.00 0.00 H new ATOM 0 HA LYS A 40 0.155 -10.354 6.422 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.716 -9.896 4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.217 -8.413 4.070 1.00 0.00 H new ATOM 0 HG2 LYS A 40 2.281 -9.531 4.144 1.00 0.00 H new ATOM 0 HG3 LYS A 40 1.594 -10.978 4.855 1.00 0.00 H new ATOM 0 HD2 LYS A 40 1.397 -10.138 1.940 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.398 -11.421 2.592 1.00 0.00 H new ATOM 0 HE2 LYS A 40 0.262 -12.575 3.385 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.653 -11.353 2.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.335 -13.368 1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.389 -12.027 0.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 1.350 -13.167 1.278 1.00 0.00 H new ATOM 652 N THR A 41 2.173 -9.161 7.158 1.00 0.00 N ATOM 653 CA THR A 41 3.394 -8.550 7.718 1.00 0.00 C ATOM 654 C THR A 41 4.654 -9.241 7.224 1.00 0.00 C ATOM 655 O THR A 41 4.629 -10.425 6.889 1.00 0.00 O ATOM 656 CB THR A 41 3.414 -8.557 9.255 1.00 0.00 C ATOM 657 OG1 THR A 41 3.120 -9.849 9.745 1.00 0.00 O ATOM 658 CG2 THR A 41 2.454 -7.574 9.911 1.00 0.00 C ATOM 0 H THR A 41 2.218 -10.180 7.151 1.00 0.00 H new ATOM 0 HA THR A 41 3.377 -7.518 7.369 1.00 0.00 H new ATOM 0 HB THR A 41 4.424 -8.243 9.519 1.00 0.00 H new ATOM 0 HG1 THR A 41 3.138 -9.839 10.725 1.00 0.00 H new ATOM 0 HG21 THR A 41 2.539 -7.651 10.995 1.00 0.00 H new ATOM 0 HG22 THR A 41 2.702 -6.560 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 41 1.433 -7.807 9.610 1.00 0.00 H new ATOM 666 N ASN A 42 5.766 -8.506 7.253 1.00 0.00 N ATOM 667 CA ASN A 42 7.098 -8.981 6.869 1.00 0.00 C ATOM 668 C ASN A 42 8.202 -8.289 7.694 1.00 0.00 C ATOM 669 O ASN A 42 8.196 -7.065 7.833 1.00 0.00 O ATOM 670 CB ASN A 42 7.311 -8.724 5.367 1.00 0.00 C ATOM 671 CG ASN A 42 6.605 -9.744 4.478 1.00 0.00 C ATOM 672 OD1 ASN A 42 7.062 -10.870 4.314 1.00 0.00 O ATOM 673 ND2 ASN A 42 5.496 -9.378 3.860 1.00 0.00 N ATOM 0 H ASN A 42 5.766 -7.531 7.554 1.00 0.00 H new ATOM 0 HA ASN A 42 7.160 -10.050 7.073 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.950 -7.725 5.121 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.379 -8.740 5.150 1.00 0.00 H new ATOM 0 HD21 ASN A 42 5.016 -10.033 3.243 1.00 0.00 H new ATOM 0 HD22 ASN A 42 5.120 -8.440 4.000 1.00 0.00 H new ATOM 680 N THR A 43 9.148 -9.061 8.245 1.00 0.00 N ATOM 681 CA THR A 43 10.291 -8.557 9.036 1.00 0.00 C ATOM 682 C THR A 43 11.465 -8.231 8.112 1.00 0.00 C ATOM 683 O THR A 43 11.702 -8.936 7.131 1.00 0.00 O ATOM 684 CB THR A 43 10.727 -9.588 10.087 1.00 0.00 C ATOM 685 OG1 THR A 43 9.591 -10.092 10.756 1.00 0.00 O ATOM 686 CG2 THR A 43 11.643 -8.980 11.152 1.00 0.00 C ATOM 0 H THR A 43 9.145 -10.077 8.154 1.00 0.00 H new ATOM 0 HA THR A 43 9.975 -7.650 9.552 1.00 0.00 H new ATOM 0 HB THR A 43 11.266 -10.371 9.553 1.00 0.00 H new ATOM 0 HG1 THR A 43 9.871 -10.751 11.425 1.00 0.00 H new ATOM 0 HG21 THR A 43 11.924 -9.749 11.872 1.00 0.00 H new ATOM 0 HG22 THR A 43 12.540 -8.583 10.677 1.00 0.00 H new ATOM 0 HG23 THR A 43 11.118 -8.175 11.667 1.00 0.00 H new ATOM 694 N ASN A 44 12.213 -7.179 8.439 1.00 0.00 N ATOM 695 CA ASN A 44 13.386 -6.705 7.696 1.00 0.00 C ATOM 696 C ASN A 44 14.700 -7.094 8.394 1.00 0.00 C ATOM 697 O ASN A 44 14.752 -7.256 9.617 1.00 0.00 O ATOM 698 CB ASN A 44 13.314 -5.175 7.540 1.00 0.00 C ATOM 699 CG ASN A 44 12.084 -4.718 6.765 1.00 0.00 C ATOM 700 OD1 ASN A 44 12.124 -4.537 5.554 1.00 0.00 O ATOM 701 ND2 ASN A 44 10.975 -4.517 7.448 1.00 0.00 N ATOM 0 H ASN A 44 12.013 -6.609 9.261 1.00 0.00 H new ATOM 0 HA ASN A 44 13.377 -7.182 6.716 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.308 -4.714 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 44 14.211 -4.824 7.030 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.130 -4.205 6.969 1.00 0.00 H new ATOM 0 HD22 ASN A 44 10.961 -4.673 8.456 1.00 0.00 H new ATOM 708 N ARG A 45 15.797 -7.146 7.626 1.00 0.00 N ATOM 709 CA ARG A 45 17.158 -7.415 8.136 1.00 0.00 C ATOM 710 C ARG A 45 17.666 -6.331 9.107 1.00 0.00 C ATOM 711 O ARG A 45 18.524 -6.595 9.949 1.00 0.00 O ATOM 712 CB ARG A 45 18.149 -7.577 6.969 1.00 0.00 C ATOM 713 CG ARG A 45 17.726 -8.690 5.997 1.00 0.00 C ATOM 714 CD ARG A 45 18.772 -8.954 4.905 1.00 0.00 C ATOM 715 NE ARG A 45 19.994 -9.577 5.447 1.00 0.00 N ATOM 716 CZ ARG A 45 21.119 -9.814 4.781 1.00 0.00 C ATOM 717 NH1 ARG A 45 21.259 -9.497 3.509 1.00 0.00 N ATOM 718 NH2 ARG A 45 22.134 -10.384 5.395 1.00 0.00 N ATOM 0 H ARG A 45 15.768 -7.001 6.617 1.00 0.00 H new ATOM 0 HA ARG A 45 17.095 -8.345 8.700 1.00 0.00 H new ATOM 0 HB2 ARG A 45 18.227 -6.634 6.427 1.00 0.00 H new ATOM 0 HB3 ARG A 45 19.140 -7.800 7.365 1.00 0.00 H new ATOM 0 HG2 ARG A 45 17.552 -9.609 6.557 1.00 0.00 H new ATOM 0 HG3 ARG A 45 16.780 -8.418 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 45 18.343 -9.603 4.142 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.031 -8.015 4.416 1.00 0.00 H new ATOM 0 HE ARG A 45 19.973 -9.853 6.429 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.489 -9.055 3.006 1.00 0.00 H new ATOM 0 HH12 ARG A 45 22.137 -9.693 3.028 1.00 0.00 H new ATOM 0 HH21 ARG A 45 22.055 -10.642 6.379 1.00 0.00 H new ATOM 0 HH22 ARG A 45 22.999 -10.568 4.887 1.00 0.00 H new ATOM 732 N ASN A 46 17.092 -5.126 9.021 1.00 0.00 N ATOM 733 CA ASN A 46 17.361 -3.983 9.907 1.00 0.00 C ATOM 734 C ASN A 46 16.581 -4.038 11.251 1.00 0.00 C ATOM 735 O ASN A 46 16.706 -3.136 12.082 1.00 0.00 O ATOM 736 CB ASN A 46 17.074 -2.695 9.105 1.00 0.00 C ATOM 737 CG ASN A 46 17.744 -1.435 9.657 1.00 0.00 C ATOM 738 OD1 ASN A 46 18.699 -1.478 10.424 1.00 0.00 O ATOM 739 ND2 ASN A 46 17.270 -0.263 9.269 1.00 0.00 N ATOM 0 H ASN A 46 16.399 -4.909 8.304 1.00 0.00 H new ATOM 0 HA ASN A 46 18.406 -4.009 10.216 1.00 0.00 H new ATOM 0 HB2 ASN A 46 17.402 -2.843 8.076 1.00 0.00 H new ATOM 0 HB3 ASN A 46 15.996 -2.534 9.076 1.00 0.00 H new ATOM 0 HD21 ASN A 46 17.699 0.598 9.608 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.475 -0.220 8.631 1.00 0.00 H new ATOM 746 N GLY A 47 15.754 -5.072 11.474 1.00 0.00 N ATOM 747 CA GLY A 47 15.020 -5.329 12.728 1.00 0.00 C ATOM 748 C GLY A 47 13.644 -4.659 12.832 1.00 0.00 C ATOM 749 O GLY A 47 12.945 -4.855 13.824 1.00 0.00 O ATOM 0 H GLY A 47 15.570 -5.779 10.762 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.891 -6.406 12.840 1.00 0.00 H new ATOM 0 HA3 GLY A 47 15.633 -4.993 13.564 1.00 0.00 H new ATOM 753 N SER A 48 13.242 -3.881 11.831 1.00 0.00 N ATOM 754 CA SER A 48 11.900 -3.300 11.694 1.00 0.00 C ATOM 755 C SER A 48 10.932 -4.263 10.978 1.00 0.00 C ATOM 756 O SER A 48 11.350 -5.227 10.329 1.00 0.00 O ATOM 757 CB SER A 48 12.022 -1.968 10.941 1.00 0.00 C ATOM 758 OG SER A 48 12.721 -2.127 9.709 1.00 0.00 O ATOM 0 H SER A 48 13.861 -3.625 11.062 1.00 0.00 H new ATOM 0 HA SER A 48 11.480 -3.125 12.684 1.00 0.00 H new ATOM 0 HB2 SER A 48 11.028 -1.566 10.747 1.00 0.00 H new ATOM 0 HB3 SER A 48 12.543 -1.242 11.565 1.00 0.00 H new ATOM 0 HG SER A 48 12.781 -1.262 9.253 1.00 0.00 H new ATOM 764 N LYS A 49 9.624 -4.008 11.060 1.00 0.00 N ATOM 765 CA LYS A 49 8.577 -4.818 10.421 1.00 0.00 C ATOM 766 C LYS A 49 7.635 -3.948 9.574 1.00 0.00 C ATOM 767 O LYS A 49 7.416 -2.765 9.850 1.00 0.00 O ATOM 768 CB LYS A 49 7.812 -5.627 11.490 1.00 0.00 C ATOM 769 CG LYS A 49 7.224 -6.960 11.005 1.00 0.00 C ATOM 770 CD LYS A 49 6.321 -7.564 12.094 1.00 0.00 C ATOM 771 CE LYS A 49 5.956 -9.033 11.833 1.00 0.00 C ATOM 772 NZ LYS A 49 7.067 -9.960 12.170 1.00 0.00 N ATOM 0 H LYS A 49 9.252 -3.216 11.584 1.00 0.00 H new ATOM 0 HA LYS A 49 9.048 -5.523 9.736 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.486 -5.827 12.323 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.001 -5.010 11.878 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.651 -6.803 10.091 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.028 -7.654 10.761 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.824 -7.487 13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.406 -6.976 12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.076 -9.296 12.420 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.688 -9.157 10.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.731 -10.942 12.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.851 -9.819 11.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.398 -9.769 13.137 1.00 0.00 H new ATOM 786 N ASP A 50 7.086 -4.567 8.537 1.00 0.00 N ATOM 787 CA ASP A 50 6.173 -3.988 7.557 1.00 0.00 C ATOM 788 C ASP A 50 4.738 -4.462 7.826 1.00 0.00 C ATOM 789 O ASP A 50 4.543 -5.616 8.201 1.00 0.00 O ATOM 790 CB ASP A 50 6.592 -4.440 6.152 1.00 0.00 C ATOM 791 CG ASP A 50 8.012 -4.039 5.710 1.00 0.00 C ATOM 792 OD1 ASP A 50 8.652 -3.172 6.351 1.00 0.00 O ATOM 793 OD2 ASP A 50 8.494 -4.625 4.713 1.00 0.00 O ATOM 0 H ASP A 50 7.278 -5.550 8.345 1.00 0.00 H new ATOM 0 HA ASP A 50 6.212 -2.901 7.632 1.00 0.00 H new ATOM 0 HB2 ASP A 50 6.510 -5.526 6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 50 5.881 -4.033 5.434 1.00 0.00 H new ATOM 798 N TYR A 51 3.743 -3.593 7.619 1.00 0.00 N ATOM 799 CA TYR A 51 2.340 -3.806 8.010 1.00 0.00 C ATOM 800 C TYR A 51 1.334 -3.280 6.970 1.00 0.00 C ATOM 801 O TYR A 51 1.584 -2.288 6.282 1.00 0.00 O ATOM 802 CB TYR A 51 2.069 -3.085 9.341 1.00 0.00 C ATOM 803 CG TYR A 51 2.877 -3.549 10.536 1.00 0.00 C ATOM 804 CD1 TYR A 51 4.163 -3.025 10.758 1.00 0.00 C ATOM 805 CD2 TYR A 51 2.312 -4.436 11.474 1.00 0.00 C ATOM 806 CE1 TYR A 51 4.887 -3.391 11.905 1.00 0.00 C ATOM 807 CE2 TYR A 51 3.033 -4.809 12.624 1.00 0.00 C ATOM 808 CZ TYR A 51 4.326 -4.283 12.845 1.00 0.00 C ATOM 809 OH TYR A 51 5.032 -4.630 13.958 1.00 0.00 O ATOM 0 H TYR A 51 3.893 -2.694 7.161 1.00 0.00 H new ATOM 0 HA TYR A 51 2.201 -4.884 8.095 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.254 -2.020 9.197 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.011 -3.196 9.580 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.595 -2.339 10.045 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.321 -4.832 11.310 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.876 -2.989 12.068 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.599 -5.496 13.336 1.00 0.00 H new ATOM 0 HH TYR A 51 4.502 -5.250 14.501 1.00 0.00 H new ATOM 819 N GLY A 52 0.160 -3.914 6.885 1.00 0.00 N ATOM 820 CA GLY A 52 -0.970 -3.421 6.088 1.00 0.00 C ATOM 821 C GLY A 52 -0.807 -3.629 4.587 1.00 0.00 C ATOM 822 O GLY A 52 0.177 -4.197 4.112 1.00 0.00 O ATOM 0 H GLY A 52 -0.035 -4.790 7.370 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.880 -3.923 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.103 -2.357 6.285 1.00 0.00 H new ATOM 826 N LEU A 53 -1.768 -3.131 3.808 1.00 0.00 N ATOM 827 CA LEU A 53 -1.868 -3.458 2.382 1.00 0.00 C ATOM 828 C LEU A 53 -0.711 -2.964 1.500 1.00 0.00 C ATOM 829 O LEU A 53 -0.443 -3.548 0.451 1.00 0.00 O ATOM 830 CB LEU A 53 -3.206 -2.913 1.845 1.00 0.00 C ATOM 831 CG LEU A 53 -3.791 -3.855 0.785 1.00 0.00 C ATOM 832 CD1 LEU A 53 -4.525 -5.005 1.462 1.00 0.00 C ATOM 833 CD2 LEU A 53 -4.763 -3.149 -0.145 1.00 0.00 C ATOM 0 H LEU A 53 -2.493 -2.496 4.142 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.811 -4.545 2.322 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.913 -2.798 2.666 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.054 -1.923 1.415 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.953 -4.221 0.192 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -4.938 -5.670 0.703 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.830 -5.560 2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.334 -4.609 2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.148 -3.860 -0.876 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -5.591 -2.741 0.435 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.249 -2.339 -0.662 1.00 0.00 H new ATOM 845 N PHE A 54 0.001 -1.931 1.947 1.00 0.00 N ATOM 846 CA PHE A 54 1.164 -1.369 1.257 1.00 0.00 C ATOM 847 C PHE A 54 2.483 -1.755 1.953 1.00 0.00 C ATOM 848 O PHE A 54 3.524 -1.205 1.609 1.00 0.00 O ATOM 849 CB PHE A 54 0.976 0.153 1.126 1.00 0.00 C ATOM 850 CG PHE A 54 -0.265 0.575 0.360 1.00 0.00 C ATOM 851 CD1 PHE A 54 -1.504 0.659 1.021 1.00 0.00 C ATOM 852 CD2 PHE A 54 -0.188 0.898 -1.008 1.00 0.00 C ATOM 853 CE1 PHE A 54 -2.659 1.054 0.329 1.00 0.00 C ATOM 854 CE2 PHE A 54 -1.342 1.310 -1.699 1.00 0.00 C ATOM 855 CZ PHE A 54 -2.578 1.388 -1.033 1.00 0.00 C ATOM 0 H PHE A 54 -0.219 -1.449 2.819 1.00 0.00 H new ATOM 0 HA PHE A 54 1.236 -1.793 0.255 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.935 0.588 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.852 0.572 0.631 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.567 0.417 2.072 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.757 0.830 -1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -3.608 1.101 0.842 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.278 1.568 -2.746 1.00 0.00 H new ATOM 0 HZ PHE A 54 -3.462 1.704 -1.567 1.00 0.00 H new ATOM 865 N GLN A 55 2.447 -2.672 2.933 1.00 0.00 N ATOM 866 CA GLN A 55 3.610 -3.167 3.683 1.00 0.00 C ATOM 867 C GLN A 55 4.460 -2.005 4.241 1.00 0.00 C ATOM 868 O GLN A 55 5.644 -1.845 3.938 1.00 0.00 O ATOM 869 CB GLN A 55 4.414 -4.169 2.830 1.00 0.00 C ATOM 870 CG GLN A 55 3.674 -5.488 2.570 1.00 0.00 C ATOM 871 CD GLN A 55 3.327 -6.247 3.851 1.00 0.00 C ATOM 872 OE1 GLN A 55 4.151 -6.915 4.460 1.00 0.00 O ATOM 873 NE2 GLN A 55 2.105 -6.155 4.328 1.00 0.00 N ATOM 0 H GLN A 55 1.574 -3.104 3.235 1.00 0.00 H new ATOM 0 HA GLN A 55 3.260 -3.715 4.558 1.00 0.00 H new ATOM 0 HB2 GLN A 55 4.659 -3.705 1.874 1.00 0.00 H new ATOM 0 HB3 GLN A 55 5.358 -4.384 3.331 1.00 0.00 H new ATOM 0 HG2 GLN A 55 2.757 -5.280 2.019 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.290 -6.124 1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 55 1.405 -5.602 3.833 1.00 0.00 H new ATOM 0 HE22 GLN A 55 1.857 -6.636 5.193 1.00 0.00 H new ATOM 882 N ILE A 56 3.816 -1.146 5.030 1.00 0.00 N ATOM 883 CA ILE A 56 4.370 0.111 5.544 1.00 0.00 C ATOM 884 C ILE A 56 5.186 -0.163 6.813 1.00 0.00 C ATOM 885 O ILE A 56 4.749 -0.917 7.681 1.00 0.00 O ATOM 886 CB ILE A 56 3.228 1.126 5.787 1.00 0.00 C ATOM 887 CG1 ILE A 56 2.314 1.230 4.540 1.00 0.00 C ATOM 888 CG2 ILE A 56 3.818 2.493 6.132 1.00 0.00 C ATOM 889 CD1 ILE A 56 1.264 2.341 4.578 1.00 0.00 C ATOM 0 H ILE A 56 2.859 -1.310 5.342 1.00 0.00 H new ATOM 0 HA ILE A 56 5.046 0.550 4.810 1.00 0.00 H new ATOM 0 HB ILE A 56 2.621 0.779 6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 56 2.943 1.380 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.803 0.277 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 56 3.011 3.205 6.302 1.00 0.00 H new ATOM 0 HG22 ILE A 56 4.425 2.410 7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 56 4.440 2.840 5.306 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.681 2.323 3.657 1.00 0.00 H new ATOM 0 HD12 ILE A 56 0.602 2.187 5.430 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.760 3.307 4.674 1.00 0.00 H new ATOM 901 N ASN A 57 6.366 0.449 6.928 1.00 0.00 N ATOM 902 CA ASN A 57 7.350 0.114 7.959 1.00 0.00 C ATOM 903 C ASN A 57 7.260 0.998 9.217 1.00 0.00 C ATOM 904 O ASN A 57 7.129 2.224 9.131 1.00 0.00 O ATOM 905 CB ASN A 57 8.735 0.221 7.326 1.00 0.00 C ATOM 906 CG ASN A 57 9.830 -0.297 8.244 1.00 0.00 C ATOM 907 OD1 ASN A 57 10.352 0.427 9.080 1.00 0.00 O ATOM 908 ND2 ASN A 57 10.198 -1.553 8.110 1.00 0.00 N ATOM 0 H ASN A 57 6.668 1.197 6.303 1.00 0.00 H new ATOM 0 HA ASN A 57 7.145 -0.898 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.750 -0.342 6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 57 8.937 1.262 7.074 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.929 -1.937 8.709 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.752 -2.143 7.408 1.00 0.00 H new ATOM 915 N ASP A 58 7.402 0.365 10.386 1.00 0.00 N ATOM 916 CA ASP A 58 7.266 0.989 11.714 1.00 0.00 C ATOM 917 C ASP A 58 8.350 2.013 12.105 1.00 0.00 C ATOM 918 O ASP A 58 8.210 2.717 13.110 1.00 0.00 O ATOM 919 CB ASP A 58 7.180 -0.091 12.798 1.00 0.00 C ATOM 920 CG ASP A 58 8.544 -0.683 13.202 1.00 0.00 C ATOM 921 OD1 ASP A 58 9.053 -1.565 12.475 1.00 0.00 O ATOM 922 OD2 ASP A 58 9.094 -0.275 14.251 1.00 0.00 O ATOM 0 H ASP A 58 7.622 -0.629 10.440 1.00 0.00 H new ATOM 0 HA ASP A 58 6.345 1.567 11.640 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.703 0.333 13.682 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.536 -0.896 12.444 1.00 0.00 H new ATOM 927 N ARG A 59 9.432 2.090 11.326 1.00 0.00 N ATOM 928 CA ARG A 59 10.548 3.013 11.539 1.00 0.00 C ATOM 929 C ARG A 59 10.500 4.216 10.586 1.00 0.00 C ATOM 930 O ARG A 59 11.141 5.231 10.862 1.00 0.00 O ATOM 931 CB ARG A 59 11.854 2.209 11.403 1.00 0.00 C ATOM 932 CG ARG A 59 13.081 2.927 11.988 1.00 0.00 C ATOM 933 CD ARG A 59 14.311 2.009 12.013 1.00 0.00 C ATOM 934 NE ARG A 59 14.153 0.906 12.982 1.00 0.00 N ATOM 935 CZ ARG A 59 14.889 -0.198 13.042 1.00 0.00 C ATOM 936 NH1 ARG A 59 15.899 -0.407 12.230 1.00 0.00 N ATOM 937 NH2 ARG A 59 14.619 -1.128 13.931 1.00 0.00 N ATOM 0 H ARG A 59 9.559 1.495 10.507 1.00 0.00 H new ATOM 0 HA ARG A 59 10.484 3.445 12.538 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.733 1.248 11.903 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.034 2.000 10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.301 3.815 11.396 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.858 3.266 13.000 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.477 1.597 11.018 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.195 2.593 12.268 1.00 0.00 H new ATOM 0 HE ARG A 59 13.407 1.001 13.671 1.00 0.00 H new ATOM 0 HH11 ARG A 59 16.139 0.290 11.525 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.443 -1.266 12.304 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.841 -1.004 14.579 1.00 0.00 H new ATOM 0 HH22 ARG A 59 15.187 -1.974 13.973 1.00 0.00 H new ATOM 951 N TYR A 60 9.709 4.152 9.508 1.00 0.00 N ATOM 952 CA TYR A 60 9.757 5.123 8.403 1.00 0.00 C ATOM 953 C TYR A 60 8.471 5.930 8.163 1.00 0.00 C ATOM 954 O TYR A 60 8.567 7.059 7.679 1.00 0.00 O ATOM 955 CB TYR A 60 10.113 4.366 7.112 1.00 0.00 C ATOM 956 CG TYR A 60 11.403 3.548 7.123 1.00 0.00 C ATOM 957 CD1 TYR A 60 12.523 3.932 7.894 1.00 0.00 C ATOM 958 CD2 TYR A 60 11.468 2.362 6.363 1.00 0.00 C ATOM 959 CE1 TYR A 60 13.666 3.111 7.952 1.00 0.00 C ATOM 960 CE2 TYR A 60 12.608 1.537 6.414 1.00 0.00 C ATOM 961 CZ TYR A 60 13.707 1.901 7.223 1.00 0.00 C ATOM 962 OH TYR A 60 14.806 1.097 7.295 1.00 0.00 O ATOM 0 H TYR A 60 9.011 3.420 9.375 1.00 0.00 H new ATOM 0 HA TYR A 60 10.507 5.860 8.691 1.00 0.00 H new ATOM 0 HB2 TYR A 60 9.288 3.695 6.874 1.00 0.00 H new ATOM 0 HB3 TYR A 60 10.178 5.091 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 60 12.503 4.862 8.443 1.00 0.00 H new ATOM 0 HD2 TYR A 60 10.635 2.083 5.735 1.00 0.00 H new ATOM 0 HE1 TYR A 60 14.512 3.407 8.554 1.00 0.00 H new ATOM 0 HE2 TYR A 60 12.642 0.626 5.835 1.00 0.00 H new ATOM 0 HH TYR A 60 14.669 0.305 6.734 1.00 0.00 H new ATOM 972 N TRP A 61 7.289 5.389 8.494 1.00 0.00 N ATOM 973 CA TRP A 61 6.004 5.978 8.084 1.00 0.00 C ATOM 974 C TRP A 61 4.875 5.767 9.112 1.00 0.00 C ATOM 975 O TRP A 61 4.241 6.740 9.527 1.00 0.00 O ATOM 976 CB TRP A 61 5.625 5.409 6.705 1.00 0.00 C ATOM 977 CG TRP A 61 6.631 5.495 5.594 1.00 0.00 C ATOM 978 CD1 TRP A 61 7.225 4.435 5.002 1.00 0.00 C ATOM 979 CD2 TRP A 61 7.136 6.675 4.890 1.00 0.00 C ATOM 980 NE1 TRP A 61 8.070 4.869 4.000 1.00 0.00 N ATOM 981 CE2 TRP A 61 8.045 6.242 3.877 1.00 0.00 C ATOM 982 CE3 TRP A 61 6.908 8.066 4.990 1.00 0.00 C ATOM 983 CZ2 TRP A 61 8.683 7.137 3.003 1.00 0.00 C ATOM 984 CZ3 TRP A 61 7.537 8.973 4.117 1.00 0.00 C ATOM 985 CH2 TRP A 61 8.422 8.513 3.124 1.00 0.00 C ATOM 0 H TRP A 61 7.196 4.538 9.049 1.00 0.00 H new ATOM 0 HA TRP A 61 6.130 7.059 8.025 1.00 0.00 H new ATOM 0 HB2 TRP A 61 5.368 4.358 6.839 1.00 0.00 H new ATOM 0 HB3 TRP A 61 4.720 5.919 6.373 1.00 0.00 H new ATOM 0 HD1 TRP A 61 7.063 3.402 5.273 1.00 0.00 H new ATOM 0 HE1 TRP A 61 8.641 4.251 3.423 1.00 0.00 H new ATOM 0 HE3 TRP A 61 6.239 8.440 5.751 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 9.365 6.773 2.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 7.339 10.031 4.210 1.00 0.00 H new ATOM 0 HH2 TRP A 61 8.899 9.215 2.457 1.00 0.00 H new ATOM 996 N CYS A 62 4.649 4.526 9.563 1.00 0.00 N ATOM 997 CA CYS A 62 3.762 4.188 10.692 1.00 0.00 C ATOM 998 C CYS A 62 4.544 3.975 12.003 1.00 0.00 C ATOM 999 O CYS A 62 5.767 3.901 11.992 1.00 0.00 O ATOM 1000 CB CYS A 62 2.903 2.967 10.327 1.00 0.00 C ATOM 1001 SG CYS A 62 3.795 1.562 9.620 1.00 0.00 S ATOM 0 H CYS A 62 5.088 3.706 9.144 1.00 0.00 H new ATOM 0 HA CYS A 62 3.100 5.035 10.875 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.384 2.630 11.224 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.139 3.283 9.617 1.00 0.00 H new ATOM 0 HG CYS A 62 2.957 0.603 9.360 1.00 0.00 H new ATOM 1006 N SER A 63 3.842 3.890 13.136 1.00 0.00 N ATOM 1007 CA SER A 63 4.400 3.697 14.490 1.00 0.00 C ATOM 1008 C SER A 63 3.973 2.358 15.113 1.00 0.00 C ATOM 1009 O SER A 63 2.797 1.991 15.056 1.00 0.00 O ATOM 1010 CB SER A 63 3.914 4.824 15.413 1.00 0.00 C ATOM 1011 OG SER A 63 4.619 4.781 16.645 1.00 0.00 O ATOM 0 H SER A 63 2.824 3.956 13.142 1.00 0.00 H new ATOM 0 HA SER A 63 5.485 3.704 14.390 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.065 5.790 14.932 1.00 0.00 H new ATOM 0 HB3 SER A 63 2.844 4.722 15.593 1.00 0.00 H new ATOM 0 HG SER A 63 4.305 5.504 17.227 1.00 0.00 H new ATOM 1017 N LYS A 64 4.911 1.635 15.736 1.00 0.00 N ATOM 1018 CA LYS A 64 4.684 0.318 16.366 1.00 0.00 C ATOM 1019 C LYS A 64 3.977 0.348 17.737 1.00 0.00 C ATOM 1020 O LYS A 64 3.570 -0.707 18.234 1.00 0.00 O ATOM 1021 CB LYS A 64 6.024 -0.430 16.508 1.00 0.00 C ATOM 1022 CG LYS A 64 7.095 0.394 17.243 1.00 0.00 C ATOM 1023 CD LYS A 64 8.203 -0.505 17.790 1.00 0.00 C ATOM 1024 CE LYS A 64 9.314 0.373 18.374 1.00 0.00 C ATOM 1025 NZ LYS A 64 10.418 -0.440 18.949 1.00 0.00 N ATOM 0 H LYS A 64 5.876 1.953 15.821 1.00 0.00 H new ATOM 0 HA LYS A 64 3.999 -0.198 15.694 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.858 -1.363 17.046 1.00 0.00 H new ATOM 0 HB3 LYS A 64 6.393 -0.695 15.517 1.00 0.00 H new ATOM 0 HG2 LYS A 64 7.523 1.130 16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.634 0.947 18.061 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.805 -1.169 18.558 1.00 0.00 H new ATOM 0 HD3 LYS A 64 8.601 -1.138 16.997 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.710 1.024 17.594 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.898 1.019 19.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 11.150 0.191 19.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.045 -1.043 19.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.832 -1.038 18.206 1.00 0.00 H new ATOM 1039 N GLY A 65 3.881 1.520 18.378 1.00 0.00 N ATOM 1040 CA GLY A 65 3.407 1.664 19.763 1.00 0.00 C ATOM 1041 C GLY A 65 1.885 1.546 19.897 1.00 0.00 C ATOM 1042 O GLY A 65 1.199 1.126 18.965 1.00 0.00 O ATOM 0 H GLY A 65 4.134 2.408 17.944 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.880 0.902 20.383 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.725 2.632 20.150 1.00 0.00 H new ATOM 1046 N ALA A 66 1.347 1.920 21.063 1.00 0.00 N ATOM 1047 CA ALA A 66 -0.097 1.886 21.349 1.00 0.00 C ATOM 1048 C ALA A 66 -0.880 3.087 20.775 1.00 0.00 C ATOM 1049 O ALA A 66 -2.112 3.059 20.730 1.00 0.00 O ATOM 1050 CB ALA A 66 -0.283 1.767 22.867 1.00 0.00 C ATOM 0 H ALA A 66 1.906 2.259 21.846 1.00 0.00 H new ATOM 0 HA ALA A 66 -0.519 1.019 20.841 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -1.347 1.740 23.102 1.00 0.00 H new ATOM 0 HB2 ALA A 66 0.190 0.851 23.221 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.176 2.625 23.358 1.00 0.00 H new ATOM 1056 N SER A 67 -0.178 4.093 20.254 1.00 0.00 N ATOM 1057 CA SER A 67 -0.724 5.339 19.694 1.00 0.00 C ATOM 1058 C SER A 67 0.038 5.741 18.411 1.00 0.00 C ATOM 1059 O SER A 67 1.229 5.419 18.293 1.00 0.00 O ATOM 1060 CB SER A 67 -0.612 6.471 20.732 1.00 0.00 C ATOM 1061 OG SER A 67 -1.421 6.219 21.875 1.00 0.00 O ATOM 0 H SER A 67 0.840 4.064 20.207 1.00 0.00 H new ATOM 0 HA SER A 67 -1.772 5.173 19.443 1.00 0.00 H new ATOM 0 HB2 SER A 67 0.428 6.581 21.039 1.00 0.00 H new ATOM 0 HB3 SER A 67 -0.911 7.414 20.275 1.00 0.00 H new ATOM 0 HG SER A 67 -1.324 6.956 22.513 1.00 0.00 H new ATOM 1067 N PRO A 68 -0.607 6.438 17.450 1.00 0.00 N ATOM 1068 CA PRO A 68 0.061 6.976 16.265 1.00 0.00 C ATOM 1069 C PRO A 68 1.022 8.112 16.655 1.00 0.00 C ATOM 1070 O PRO A 68 0.840 8.765 17.685 1.00 0.00 O ATOM 1071 CB PRO A 68 -1.067 7.475 15.357 1.00 0.00 C ATOM 1072 CG PRO A 68 -2.165 7.868 16.341 1.00 0.00 C ATOM 1073 CD PRO A 68 -2.015 6.826 17.449 1.00 0.00 C ATOM 0 HA PRO A 68 0.671 6.228 15.759 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.749 8.323 14.750 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.403 6.699 14.669 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -2.027 8.882 16.717 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.153 7.830 15.881 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -2.306 7.239 18.415 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -2.657 5.965 17.264 1.00 0.00 H new ATOM 1081 N GLY A 69 2.052 8.351 15.831 1.00 0.00 N ATOM 1082 CA GLY A 69 3.117 9.313 16.158 1.00 0.00 C ATOM 1083 C GLY A 69 4.404 9.117 15.363 1.00 0.00 C ATOM 1084 O GLY A 69 5.484 8.994 15.938 1.00 0.00 O ATOM 0 H GLY A 69 2.171 7.890 14.929 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.745 10.323 15.983 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.345 9.238 17.221 1.00 0.00 H new ATOM 1088 N LYS A 70 4.272 9.100 14.036 1.00 0.00 N ATOM 1089 CA LYS A 70 5.347 8.934 13.042 1.00 0.00 C ATOM 1090 C LYS A 70 5.062 9.800 11.796 1.00 0.00 C ATOM 1091 O LYS A 70 4.095 10.562 11.780 1.00 0.00 O ATOM 1092 CB LYS A 70 5.512 7.422 12.737 1.00 0.00 C ATOM 1093 CG LYS A 70 6.665 6.782 13.532 1.00 0.00 C ATOM 1094 CD LYS A 70 8.019 7.039 12.857 1.00 0.00 C ATOM 1095 CE LYS A 70 9.164 6.474 13.708 1.00 0.00 C ATOM 1096 NZ LYS A 70 10.494 6.850 13.159 1.00 0.00 N ATOM 0 H LYS A 70 3.359 9.208 13.594 1.00 0.00 H new ATOM 0 HA LYS A 70 6.301 9.290 13.431 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.582 6.904 12.971 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.692 7.287 11.670 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.679 7.185 14.545 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.498 5.708 13.619 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.032 6.579 11.869 1.00 0.00 H new ATOM 0 HD3 LYS A 70 8.161 8.110 12.712 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.074 6.843 14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.083 5.388 13.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.223 6.710 13.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 10.710 6.254 12.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.481 7.849 12.870 1.00 0.00 H new ATOM 1110 N ASP A 71 5.887 9.699 10.752 1.00 0.00 N ATOM 1111 CA ASP A 71 5.900 10.590 9.579 1.00 0.00 C ATOM 1112 C ASP A 71 4.561 10.696 8.817 1.00 0.00 C ATOM 1113 O ASP A 71 4.300 11.719 8.184 1.00 0.00 O ATOM 1114 CB ASP A 71 7.022 10.136 8.631 1.00 0.00 C ATOM 1115 CG ASP A 71 8.408 10.151 9.302 1.00 0.00 C ATOM 1116 OD1 ASP A 71 8.665 9.280 10.168 1.00 0.00 O ATOM 1117 OD2 ASP A 71 9.221 11.050 8.978 1.00 0.00 O ATOM 0 H ASP A 71 6.594 8.967 10.694 1.00 0.00 H new ATOM 0 HA ASP A 71 6.077 11.596 9.959 1.00 0.00 H new ATOM 0 HB2 ASP A 71 6.806 9.129 8.275 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.039 10.787 7.757 1.00 0.00 H new ATOM 1122 N CYS A 72 3.685 9.688 8.920 1.00 0.00 N ATOM 1123 CA CYS A 72 2.329 9.689 8.343 1.00 0.00 C ATOM 1124 C CYS A 72 1.195 9.685 9.387 1.00 0.00 C ATOM 1125 O CYS A 72 0.033 9.502 9.025 1.00 0.00 O ATOM 1126 CB CYS A 72 2.225 8.540 7.336 1.00 0.00 C ATOM 1127 SG CYS A 72 3.365 8.728 5.935 1.00 0.00 S ATOM 0 H CYS A 72 3.903 8.826 9.419 1.00 0.00 H new ATOM 0 HA CYS A 72 2.182 10.637 7.826 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.432 7.598 7.844 1.00 0.00 H new ATOM 0 HB3 CYS A 72 1.203 8.482 6.962 1.00 0.00 H new ATOM 0 HG CYS A 72 4.470 8.090 6.186 1.00 0.00 H new ATOM 1132 N ASN A 73 1.510 9.895 10.674 1.00 0.00 N ATOM 1133 CA ASN A 73 0.555 10.106 11.773 1.00 0.00 C ATOM 1134 C ASN A 73 -0.459 8.949 11.908 1.00 0.00 C ATOM 1135 O ASN A 73 -1.673 9.150 11.984 1.00 0.00 O ATOM 1136 CB ASN A 73 -0.085 11.503 11.647 1.00 0.00 C ATOM 1137 CG ASN A 73 -0.869 11.917 12.894 1.00 0.00 C ATOM 1138 OD1 ASN A 73 -0.581 11.501 14.011 1.00 0.00 O ATOM 1139 ND2 ASN A 73 -1.881 12.754 12.741 1.00 0.00 N ATOM 0 H ASN A 73 2.479 9.924 10.991 1.00 0.00 H new ATOM 0 HA ASN A 73 1.095 10.089 12.720 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.696 12.238 11.455 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -0.752 11.514 10.785 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -2.422 13.054 13.552 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.121 13.100 11.812 1.00 0.00 H new ATOM 1146 N VAL A 74 0.061 7.718 11.891 1.00 0.00 N ATOM 1147 CA VAL A 74 -0.710 6.473 11.798 1.00 0.00 C ATOM 1148 C VAL A 74 0.057 5.323 12.459 1.00 0.00 C ATOM 1149 O VAL A 74 1.287 5.311 12.495 1.00 0.00 O ATOM 1150 CB VAL A 74 -1.087 6.189 10.322 1.00 0.00 C ATOM 1151 CG1 VAL A 74 0.134 5.839 9.453 1.00 0.00 C ATOM 1152 CG2 VAL A 74 -2.149 5.089 10.218 1.00 0.00 C ATOM 0 H VAL A 74 1.066 7.554 11.943 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.647 6.575 12.346 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.506 7.117 9.932 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.190 5.650 8.430 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.838 6.671 9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.620 4.948 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.391 4.915 9.170 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.765 4.170 10.660 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.048 5.400 10.751 1.00 0.00 H new ATOM 1162 N LYS A 75 -0.681 4.374 13.026 1.00 0.00 N ATOM 1163 CA LYS A 75 -0.169 3.263 13.832 1.00 0.00 C ATOM 1164 C LYS A 75 -0.162 1.950 13.026 1.00 0.00 C ATOM 1165 O LYS A 75 -1.144 1.628 12.363 1.00 0.00 O ATOM 1166 CB LYS A 75 -1.075 3.200 15.071 1.00 0.00 C ATOM 1167 CG LYS A 75 -0.506 2.397 16.243 1.00 0.00 C ATOM 1168 CD LYS A 75 -1.467 2.480 17.438 1.00 0.00 C ATOM 1169 CE LYS A 75 -2.713 1.593 17.317 1.00 0.00 C ATOM 1170 NZ LYS A 75 -3.728 1.938 18.348 1.00 0.00 N ATOM 0 H LYS A 75 -1.697 4.354 12.934 1.00 0.00 H new ATOM 0 HA LYS A 75 0.869 3.413 14.128 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.275 4.217 15.409 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -2.032 2.766 14.782 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -0.363 1.357 15.949 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.473 2.786 16.523 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.926 2.203 18.343 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.785 3.515 17.561 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.148 1.707 16.324 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.428 0.546 17.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.265 1.086 18.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.251 2.314 19.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.378 2.656 17.969 1.00 0.00 H new ATOM 1184 N CYS A 76 0.920 1.170 13.097 1.00 0.00 N ATOM 1185 CA CYS A 76 1.092 -0.113 12.388 1.00 0.00 C ATOM 1186 C CYS A 76 -0.082 -1.091 12.563 1.00 0.00 C ATOM 1187 O CYS A 76 -0.466 -1.772 11.617 1.00 0.00 O ATOM 1188 CB CYS A 76 2.365 -0.788 12.909 1.00 0.00 C ATOM 1189 SG CYS A 76 3.876 0.149 12.641 1.00 0.00 S ATOM 0 H CYS A 76 1.730 1.417 13.666 1.00 0.00 H new ATOM 0 HA CYS A 76 1.148 0.123 11.325 1.00 0.00 H new ATOM 0 HB2 CYS A 76 2.252 -0.971 13.978 1.00 0.00 H new ATOM 0 HB3 CYS A 76 2.467 -1.761 12.428 1.00 0.00 H new ATOM 0 HG CYS A 76 3.807 0.766 11.499 1.00 0.00 H new ATOM 1194 N SER A 77 -0.683 -1.141 13.755 1.00 0.00 N ATOM 1195 CA SER A 77 -1.814 -2.038 14.050 1.00 0.00 C ATOM 1196 C SER A 77 -3.143 -1.540 13.444 1.00 0.00 C ATOM 1197 O SER A 77 -4.002 -2.342 13.075 1.00 0.00 O ATOM 1198 CB SER A 77 -1.929 -2.223 15.570 1.00 0.00 C ATOM 1199 OG SER A 77 -2.777 -3.312 15.904 1.00 0.00 O ATOM 0 H SER A 77 -0.402 -0.562 14.546 1.00 0.00 H new ATOM 0 HA SER A 77 -1.614 -3.000 13.579 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.938 -2.391 15.992 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.317 -1.309 16.020 1.00 0.00 H new ATOM 0 HG SER A 77 -2.826 -3.402 16.879 1.00 0.00 H new ATOM 1205 N ASP A 78 -3.296 -0.225 13.234 1.00 0.00 N ATOM 1206 CA ASP A 78 -4.447 0.359 12.531 1.00 0.00 C ATOM 1207 C ASP A 78 -4.442 0.023 11.030 1.00 0.00 C ATOM 1208 O ASP A 78 -5.500 -0.001 10.400 1.00 0.00 O ATOM 1209 CB ASP A 78 -4.492 1.882 12.754 1.00 0.00 C ATOM 1210 CG ASP A 78 -5.608 2.277 13.726 1.00 0.00 C ATOM 1211 OD1 ASP A 78 -6.759 2.445 13.258 1.00 0.00 O ATOM 1212 OD2 ASP A 78 -5.329 2.415 14.941 1.00 0.00 O ATOM 0 H ASP A 78 -2.619 0.469 13.550 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.349 -0.086 12.951 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -3.532 2.222 13.144 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -4.645 2.386 11.800 1.00 0.00 H new ATOM 1217 N LEU A 79 -3.273 -0.312 10.468 1.00 0.00 N ATOM 1218 CA LEU A 79 -3.138 -0.763 9.079 1.00 0.00 C ATOM 1219 C LEU A 79 -3.655 -2.199 8.868 1.00 0.00 C ATOM 1220 O LEU A 79 -3.859 -2.609 7.725 1.00 0.00 O ATOM 1221 CB LEU A 79 -1.673 -0.652 8.615 1.00 0.00 C ATOM 1222 CG LEU A 79 -0.916 0.648 8.951 1.00 0.00 C ATOM 1223 CD1 LEU A 79 0.436 0.628 8.232 1.00 0.00 C ATOM 1224 CD2 LEU A 79 -1.679 1.908 8.538 1.00 0.00 C ATOM 0 H LEU A 79 -2.386 -0.277 10.971 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.761 -0.105 8.473 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.119 -1.485 9.048 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.652 -0.783 7.533 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.795 0.685 10.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.983 1.543 8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.013 -0.234 8.567 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.275 0.561 7.156 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.095 2.790 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.850 1.894 7.462 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.637 1.940 9.057 1.00 0.00 H new ATOM 1236 N LEU A 80 -3.885 -2.949 9.956 1.00 0.00 N ATOM 1237 CA LEU A 80 -4.371 -4.336 9.947 1.00 0.00 C ATOM 1238 C LEU A 80 -5.906 -4.433 10.088 1.00 0.00 C ATOM 1239 O LEU A 80 -6.449 -5.540 10.162 1.00 0.00 O ATOM 1240 CB LEU A 80 -3.662 -5.147 11.053 1.00 0.00 C ATOM 1241 CG LEU A 80 -2.122 -5.055 11.086 1.00 0.00 C ATOM 1242 CD1 LEU A 80 -1.596 -5.874 12.273 1.00 0.00 C ATOM 1243 CD2 LEU A 80 -1.462 -5.537 9.787 1.00 0.00 C ATOM 0 H LEU A 80 -3.732 -2.593 10.900 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.127 -4.761 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.045 -4.817 12.019 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.940 -6.195 10.941 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.861 -4.002 11.196 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.508 -5.814 12.303 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.007 -5.476 13.201 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.899 -6.915 12.159 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.379 -5.447 9.874 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -1.726 -6.579 9.610 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -1.811 -4.927 8.954 1.00 0.00 H new ATOM 1255 N THR A 81 -6.608 -3.291 10.161 1.00 0.00 N ATOM 1256 CA THR A 81 -8.076 -3.212 10.296 1.00 0.00 C ATOM 1257 C THR A 81 -8.778 -3.434 8.955 1.00 0.00 C ATOM 1258 O THR A 81 -8.144 -3.500 7.904 1.00 0.00 O ATOM 1259 CB THR A 81 -8.527 -1.916 10.989 1.00 0.00 C ATOM 1260 OG1 THR A 81 -8.193 -0.782 10.227 1.00 0.00 O ATOM 1261 CG2 THR A 81 -7.925 -1.770 12.387 1.00 0.00 C ATOM 0 H THR A 81 -6.163 -2.374 10.127 1.00 0.00 H new ATOM 0 HA THR A 81 -8.383 -4.028 10.951 1.00 0.00 H new ATOM 0 HB THR A 81 -9.611 -1.985 11.081 1.00 0.00 H new ATOM 0 HG1 THR A 81 -7.238 -0.587 10.332 1.00 0.00 H new ATOM 0 HG21 THR A 81 -8.272 -0.840 12.837 1.00 0.00 H new ATOM 0 HG22 THR A 81 -8.236 -2.611 13.007 1.00 0.00 H new ATOM 0 HG23 THR A 81 -6.837 -1.755 12.315 1.00 0.00 H new ATOM 1269 N ASP A 82 -10.102 -3.587 8.997 1.00 0.00 N ATOM 1270 CA ASP A 82 -10.931 -4.030 7.860 1.00 0.00 C ATOM 1271 C ASP A 82 -11.232 -2.936 6.808 1.00 0.00 C ATOM 1272 O ASP A 82 -11.988 -3.174 5.865 1.00 0.00 O ATOM 1273 CB ASP A 82 -12.217 -4.680 8.396 1.00 0.00 C ATOM 1274 CG ASP A 82 -11.926 -5.828 9.375 1.00 0.00 C ATOM 1275 OD1 ASP A 82 -11.230 -6.794 8.984 1.00 0.00 O ATOM 1276 OD2 ASP A 82 -12.372 -5.749 10.544 1.00 0.00 O ATOM 0 H ASP A 82 -10.647 -3.404 9.840 1.00 0.00 H new ATOM 0 HA ASP A 82 -10.343 -4.763 7.309 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -12.822 -3.924 8.896 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -12.806 -5.059 7.560 1.00 0.00 H new ATOM 1281 N ASP A 83 -10.623 -1.754 6.942 1.00 0.00 N ATOM 1282 CA ASP A 83 -10.607 -0.689 5.933 1.00 0.00 C ATOM 1283 C ASP A 83 -9.157 -0.258 5.677 1.00 0.00 C ATOM 1284 O ASP A 83 -8.429 0.151 6.584 1.00 0.00 O ATOM 1285 CB ASP A 83 -11.489 0.499 6.357 1.00 0.00 C ATOM 1286 CG ASP A 83 -11.717 1.535 5.233 1.00 0.00 C ATOM 1287 OD1 ASP A 83 -10.883 1.643 4.300 1.00 0.00 O ATOM 1288 OD2 ASP A 83 -12.741 2.255 5.306 1.00 0.00 O ATOM 0 H ASP A 83 -10.109 -1.503 7.786 1.00 0.00 H new ATOM 0 HA ASP A 83 -11.029 -1.071 5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.455 0.122 6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.027 0.997 7.210 1.00 0.00 H new ATOM 1293 N ILE A 84 -8.747 -0.344 4.411 1.00 0.00 N ATOM 1294 CA ILE A 84 -7.386 -0.065 3.937 1.00 0.00 C ATOM 1295 C ILE A 84 -6.978 1.411 4.090 1.00 0.00 C ATOM 1296 O ILE A 84 -5.794 1.714 3.953 1.00 0.00 O ATOM 1297 CB ILE A 84 -7.228 -0.545 2.468 1.00 0.00 C ATOM 1298 CG1 ILE A 84 -7.955 0.394 1.484 1.00 0.00 C ATOM 1299 CG2 ILE A 84 -7.739 -1.987 2.295 1.00 0.00 C ATOM 1300 CD1 ILE A 84 -7.701 0.103 0.005 1.00 0.00 C ATOM 0 H ILE A 84 -9.376 -0.620 3.657 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.703 -0.626 4.575 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.163 -0.523 2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -9.027 0.333 1.672 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -7.653 1.420 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -7.615 -2.295 1.257 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -7.170 -2.655 2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -8.794 -2.034 2.564 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.255 0.815 -0.606 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -6.636 0.195 -0.206 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.031 -0.909 -0.229 1.00 0.00 H new ATOM 1312 N THR A 85 -7.929 2.326 4.343 1.00 0.00 N ATOM 1313 CA THR A 85 -7.745 3.791 4.302 1.00 0.00 C ATOM 1314 C THR A 85 -6.607 4.312 5.177 1.00 0.00 C ATOM 1315 O THR A 85 -5.900 5.231 4.771 1.00 0.00 O ATOM 1316 CB THR A 85 -9.077 4.497 4.581 1.00 0.00 C ATOM 1317 OG1 THR A 85 -8.957 5.867 4.284 1.00 0.00 O ATOM 1318 CG2 THR A 85 -9.569 4.352 6.019 1.00 0.00 C ATOM 0 H THR A 85 -8.882 2.059 4.591 1.00 0.00 H new ATOM 0 HA THR A 85 -7.424 4.037 3.290 1.00 0.00 H new ATOM 0 HB THR A 85 -9.813 4.010 3.942 1.00 0.00 H new ATOM 0 HG1 THR A 85 -9.810 6.316 4.462 1.00 0.00 H new ATOM 0 HG21 THR A 85 -10.516 4.879 6.134 1.00 0.00 H new ATOM 0 HG22 THR A 85 -9.711 3.296 6.250 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.832 4.777 6.700 1.00 0.00 H new ATOM 1326 N LYS A 86 -6.340 3.677 6.324 1.00 0.00 N ATOM 1327 CA LYS A 86 -5.217 4.047 7.198 1.00 0.00 C ATOM 1328 C LYS A 86 -3.861 3.840 6.494 1.00 0.00 C ATOM 1329 O LYS A 86 -2.940 4.643 6.651 1.00 0.00 O ATOM 1330 CB LYS A 86 -5.272 3.256 8.523 1.00 0.00 C ATOM 1331 CG LYS A 86 -6.512 3.499 9.405 1.00 0.00 C ATOM 1332 CD LYS A 86 -7.698 2.596 9.038 1.00 0.00 C ATOM 1333 CE LYS A 86 -8.872 2.727 10.019 1.00 0.00 C ATOM 1334 NZ LYS A 86 -8.663 1.937 11.257 1.00 0.00 N ATOM 0 H LYS A 86 -6.893 2.894 6.673 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.312 5.109 7.426 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -5.219 2.192 8.290 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -4.383 3.499 9.105 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -6.246 3.333 10.449 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -6.816 4.542 9.315 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -8.041 2.844 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -7.365 1.558 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.009 3.776 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.789 2.397 9.531 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.516 1.989 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.474 0.945 11.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -7.853 2.323 11.782 1.00 0.00 H new ATOM 1348 N ALA A 87 -3.755 2.790 5.674 1.00 0.00 N ATOM 1349 CA ALA A 87 -2.576 2.485 4.867 1.00 0.00 C ATOM 1350 C ALA A 87 -2.588 3.267 3.546 1.00 0.00 C ATOM 1351 O ALA A 87 -1.562 3.810 3.146 1.00 0.00 O ATOM 1352 CB ALA A 87 -2.530 0.964 4.649 1.00 0.00 C ATOM 0 H ALA A 87 -4.508 2.113 5.552 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.670 2.798 5.386 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -1.657 0.709 4.048 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.466 0.460 5.613 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -3.434 0.643 4.131 1.00 0.00 H new ATOM 1358 N ALA A 88 -3.753 3.390 2.905 1.00 0.00 N ATOM 1359 CA ALA A 88 -3.911 4.061 1.618 1.00 0.00 C ATOM 1360 C ALA A 88 -3.595 5.562 1.682 1.00 0.00 C ATOM 1361 O ALA A 88 -2.864 6.066 0.836 1.00 0.00 O ATOM 1362 CB ALA A 88 -5.326 3.788 1.102 1.00 0.00 C ATOM 0 H ALA A 88 -4.628 3.018 3.275 1.00 0.00 H new ATOM 0 HA ALA A 88 -3.181 3.655 0.917 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -5.464 4.282 0.140 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -5.469 2.714 0.983 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -6.054 4.174 1.815 1.00 0.00 H new ATOM 1368 N LYS A 89 -4.056 6.282 2.708 1.00 0.00 N ATOM 1369 CA LYS A 89 -3.727 7.706 2.894 1.00 0.00 C ATOM 1370 C LYS A 89 -2.232 7.937 3.175 1.00 0.00 C ATOM 1371 O LYS A 89 -1.646 8.908 2.692 1.00 0.00 O ATOM 1372 CB LYS A 89 -4.583 8.265 4.037 1.00 0.00 C ATOM 1373 CG LYS A 89 -6.055 8.435 3.630 1.00 0.00 C ATOM 1374 CD LYS A 89 -6.897 8.898 4.827 1.00 0.00 C ATOM 1375 CE LYS A 89 -8.367 9.133 4.449 1.00 0.00 C ATOM 1376 NZ LYS A 89 -8.561 10.355 3.623 1.00 0.00 N ATOM 0 H LYS A 89 -4.665 5.901 3.432 1.00 0.00 H new ATOM 0 HA LYS A 89 -3.948 8.230 1.964 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.520 7.597 4.896 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -4.181 9.228 4.352 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -6.133 9.162 2.821 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -6.444 7.491 3.249 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -6.843 8.150 5.618 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -6.476 9.819 5.230 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -8.740 8.267 3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -8.962 9.216 5.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -9.570 10.465 3.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -8.232 11.188 4.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -8.016 10.268 2.741 1.00 0.00 H new ATOM 1390 N CYS A 90 -1.590 7.014 3.899 1.00 0.00 N ATOM 1391 CA CYS A 90 -0.138 7.011 4.107 1.00 0.00 C ATOM 1392 C CYS A 90 0.612 6.721 2.795 1.00 0.00 C ATOM 1393 O CYS A 90 1.580 7.409 2.473 1.00 0.00 O ATOM 1394 CB CYS A 90 0.179 6.012 5.227 1.00 0.00 C ATOM 1395 SG CYS A 90 1.933 5.721 5.542 1.00 0.00 S ATOM 0 H CYS A 90 -2.068 6.241 4.361 1.00 0.00 H new ATOM 0 HA CYS A 90 0.210 7.996 4.418 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -0.283 6.368 6.148 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -0.291 5.059 4.983 1.00 0.00 H new ATOM 0 HG CYS A 90 2.600 6.815 5.325 1.00 0.00 H new ATOM 1400 N ALA A 91 0.102 5.800 1.973 1.00 0.00 N ATOM 1401 CA ALA A 91 0.606 5.530 0.629 1.00 0.00 C ATOM 1402 C ALA A 91 0.531 6.764 -0.290 1.00 0.00 C ATOM 1403 O ALA A 91 1.515 7.046 -0.973 1.00 0.00 O ATOM 1404 CB ALA A 91 -0.138 4.319 0.061 1.00 0.00 C ATOM 0 H ALA A 91 -0.689 5.210 2.231 1.00 0.00 H new ATOM 0 HA ALA A 91 1.669 5.295 0.686 1.00 0.00 H new ATOM 0 HB1 ALA A 91 0.228 4.105 -0.943 1.00 0.00 H new ATOM 0 HB2 ALA A 91 0.033 3.454 0.701 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -1.206 4.534 0.020 1.00 0.00 H new ATOM 1410 N LYS A 92 -0.542 7.574 -0.250 1.00 0.00 N ATOM 1411 CA LYS A 92 -0.565 8.866 -0.956 1.00 0.00 C ATOM 1412 C LYS A 92 0.522 9.833 -0.453 1.00 0.00 C ATOM 1413 O LYS A 92 1.190 10.477 -1.262 1.00 0.00 O ATOM 1414 CB LYS A 92 -1.937 9.556 -0.848 1.00 0.00 C ATOM 1415 CG LYS A 92 -3.174 8.737 -1.238 1.00 0.00 C ATOM 1416 CD LYS A 92 -3.128 8.012 -2.591 1.00 0.00 C ATOM 1417 CE LYS A 92 -2.734 8.882 -3.798 1.00 0.00 C ATOM 1418 NZ LYS A 92 -3.704 9.979 -4.063 1.00 0.00 N ATOM 0 H LYS A 92 -1.399 7.358 0.260 1.00 0.00 H new ATOM 0 HA LYS A 92 -0.363 8.629 -2.001 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -2.066 9.890 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.914 10.449 -1.472 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -3.348 7.993 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -4.036 9.404 -1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.422 7.185 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -4.109 7.577 -2.784 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -1.747 9.311 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -2.656 8.251 -4.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -3.315 10.620 -4.784 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -4.599 9.576 -4.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -3.877 10.509 -3.185 1.00 0.00 H new ATOM 1432 N LYS A 93 0.741 9.921 0.866 1.00 0.00 N ATOM 1433 CA LYS A 93 1.779 10.789 1.450 1.00 0.00 C ATOM 1434 C LYS A 93 3.212 10.335 1.096 1.00 0.00 C ATOM 1435 O LYS A 93 4.113 11.167 0.995 1.00 0.00 O ATOM 1436 CB LYS A 93 1.556 10.938 2.968 1.00 0.00 C ATOM 1437 CG LYS A 93 2.358 12.129 3.524 1.00 0.00 C ATOM 1438 CD LYS A 93 2.138 12.363 5.022 1.00 0.00 C ATOM 1439 CE LYS A 93 2.916 13.618 5.447 1.00 0.00 C ATOM 1440 NZ LYS A 93 2.848 13.855 6.912 1.00 0.00 N ATOM 0 H LYS A 93 0.207 9.395 1.558 1.00 0.00 H new ATOM 0 HA LYS A 93 1.680 11.776 0.999 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.495 11.081 3.172 1.00 0.00 H new ATOM 0 HB3 LYS A 93 1.857 10.022 3.476 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.419 11.960 3.342 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.081 13.031 2.978 1.00 0.00 H new ATOM 0 HD2 LYS A 93 1.076 12.488 5.232 1.00 0.00 H new ATOM 0 HD3 LYS A 93 2.476 11.498 5.593 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.959 13.516 5.146 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.516 14.486 4.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 3.285 14.772 7.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 1.854 13.861 7.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 3.358 13.098 7.410 1.00 0.00 H new ATOM 1454 N ILE A 94 3.422 9.045 0.822 1.00 0.00 N ATOM 1455 CA ILE A 94 4.682 8.528 0.253 1.00 0.00 C ATOM 1456 C ILE A 94 4.785 8.876 -1.243 1.00 0.00 C ATOM 1457 O ILE A 94 5.818 9.369 -1.697 1.00 0.00 O ATOM 1458 CB ILE A 94 4.804 7.008 0.507 1.00 0.00 C ATOM 1459 CG1 ILE A 94 4.865 6.689 2.020 1.00 0.00 C ATOM 1460 CG2 ILE A 94 6.071 6.491 -0.195 1.00 0.00 C ATOM 1461 CD1 ILE A 94 4.619 5.211 2.357 1.00 0.00 C ATOM 0 H ILE A 94 2.723 8.321 0.987 1.00 0.00 H new ATOM 0 HA ILE A 94 5.521 9.011 0.754 1.00 0.00 H new ATOM 0 HB ILE A 94 3.921 6.511 0.105 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.843 6.981 2.403 1.00 0.00 H new ATOM 0 HG13 ILE A 94 4.125 7.298 2.539 1.00 0.00 H new ATOM 0 HG21 ILE A 94 6.170 5.419 -0.024 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.998 6.683 -1.266 1.00 0.00 H new ATOM 0 HG23 ILE A 94 6.945 7.005 0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.678 5.069 3.436 1.00 0.00 H new ATOM 0 HD12 ILE A 94 3.630 4.918 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 94 5.374 4.596 1.868 1.00 0.00 H new ATOM 1473 N TYR A 95 3.705 8.686 -2.004 1.00 0.00 N ATOM 1474 CA TYR A 95 3.629 8.960 -3.448 1.00 0.00 C ATOM 1475 C TYR A 95 3.955 10.419 -3.830 1.00 0.00 C ATOM 1476 O TYR A 95 4.463 10.674 -4.922 1.00 0.00 O ATOM 1477 CB TYR A 95 2.263 8.467 -3.969 1.00 0.00 C ATOM 1478 CG TYR A 95 1.656 9.193 -5.156 1.00 0.00 C ATOM 1479 CD1 TYR A 95 1.023 10.440 -4.970 1.00 0.00 C ATOM 1480 CD2 TYR A 95 1.672 8.606 -6.436 1.00 0.00 C ATOM 1481 CE1 TYR A 95 0.444 11.114 -6.062 1.00 0.00 C ATOM 1482 CE2 TYR A 95 1.104 9.278 -7.533 1.00 0.00 C ATOM 1483 CZ TYR A 95 0.489 10.536 -7.351 1.00 0.00 C ATOM 1484 OH TYR A 95 -0.066 11.180 -8.417 1.00 0.00 O ATOM 0 H TYR A 95 2.830 8.326 -1.624 1.00 0.00 H new ATOM 0 HA TYR A 95 4.419 8.402 -3.950 1.00 0.00 H new ATOM 0 HB2 TYR A 95 2.366 7.415 -4.236 1.00 0.00 H new ATOM 0 HB3 TYR A 95 1.551 8.518 -3.145 1.00 0.00 H new ATOM 0 HD1 TYR A 95 0.982 10.880 -3.985 1.00 0.00 H new ATOM 0 HD2 TYR A 95 2.123 7.635 -6.576 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -0.034 12.071 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 95 1.138 8.831 -8.516 1.00 0.00 H new ATOM 0 HH TYR A 95 0.057 10.640 -9.226 1.00 0.00 H new ATOM 1494 N LYS A 96 3.773 11.362 -2.898 1.00 0.00 N ATOM 1495 CA LYS A 96 4.223 12.762 -2.994 1.00 0.00 C ATOM 1496 C LYS A 96 5.743 12.945 -3.203 1.00 0.00 C ATOM 1497 O LYS A 96 6.170 14.027 -3.618 1.00 0.00 O ATOM 1498 CB LYS A 96 3.804 13.475 -1.698 1.00 0.00 C ATOM 1499 CG LYS A 96 2.310 13.828 -1.671 1.00 0.00 C ATOM 1500 CD LYS A 96 1.951 14.581 -0.381 1.00 0.00 C ATOM 1501 CE LYS A 96 0.442 14.853 -0.258 1.00 0.00 C ATOM 1502 NZ LYS A 96 -0.042 15.858 -1.244 1.00 0.00 N ATOM 0 H LYS A 96 3.290 11.167 -2.021 1.00 0.00 H new ATOM 0 HA LYS A 96 3.756 13.185 -3.883 1.00 0.00 H new ATOM 0 HB2 LYS A 96 4.038 12.837 -0.846 1.00 0.00 H new ATOM 0 HB3 LYS A 96 4.390 14.387 -1.584 1.00 0.00 H new ATOM 0 HG2 LYS A 96 2.061 14.441 -2.537 1.00 0.00 H new ATOM 0 HG3 LYS A 96 1.715 12.918 -1.744 1.00 0.00 H new ATOM 0 HD2 LYS A 96 2.283 14.000 0.479 1.00 0.00 H new ATOM 0 HD3 LYS A 96 2.491 15.528 -0.354 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -0.104 13.920 -0.398 1.00 0.00 H new ATOM 0 HE3 LYS A 96 0.221 15.203 0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -1.064 16.004 -1.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.457 16.758 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 0.142 15.515 -2.208 1.00 0.00 H new ATOM 1516 N ARG A 97 6.560 11.928 -2.898 1.00 0.00 N ATOM 1517 CA ARG A 97 8.023 11.926 -3.082 1.00 0.00 C ATOM 1518 C ARG A 97 8.521 10.709 -3.874 1.00 0.00 C ATOM 1519 O ARG A 97 9.476 10.828 -4.641 1.00 0.00 O ATOM 1520 CB ARG A 97 8.720 11.997 -1.709 1.00 0.00 C ATOM 1521 CG ARG A 97 8.413 13.272 -0.906 1.00 0.00 C ATOM 1522 CD ARG A 97 8.923 14.550 -1.584 1.00 0.00 C ATOM 1523 NE ARG A 97 8.560 15.739 -0.796 1.00 0.00 N ATOM 1524 CZ ARG A 97 7.559 16.584 -1.028 1.00 0.00 C ATOM 1525 NH1 ARG A 97 6.712 16.426 -2.025 1.00 0.00 N ATOM 1526 NH2 ARG A 97 7.395 17.623 -0.238 1.00 0.00 N ATOM 0 H ARG A 97 6.212 11.054 -2.503 1.00 0.00 H new ATOM 0 HA ARG A 97 8.278 12.806 -3.672 1.00 0.00 H new ATOM 0 HB2 ARG A 97 8.423 11.130 -1.119 1.00 0.00 H new ATOM 0 HB3 ARG A 97 9.797 11.927 -1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 97 7.336 13.351 -0.760 1.00 0.00 H new ATOM 0 HG3 ARG A 97 8.864 13.188 0.083 1.00 0.00 H new ATOM 0 HD2 ARG A 97 10.006 14.500 -1.697 1.00 0.00 H new ATOM 0 HD3 ARG A 97 8.501 14.629 -2.586 1.00 0.00 H new ATOM 0 HE ARG A 97 9.141 15.937 0.019 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.810 15.631 -2.656 1.00 0.00 H new ATOM 0 HH12 ARG A 97 5.959 17.099 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.032 17.775 0.544 1.00 0.00 H new ATOM 0 HH22 ARG A 97 6.631 18.277 -0.407 1.00 0.00 H new ATOM 1540 N HIS A 98 7.848 9.564 -3.741 1.00 0.00 N ATOM 1541 CA HIS A 98 8.184 8.294 -4.393 1.00 0.00 C ATOM 1542 C HIS A 98 6.904 7.570 -4.860 1.00 0.00 C ATOM 1543 O HIS A 98 6.360 6.724 -4.147 1.00 0.00 O ATOM 1544 CB HIS A 98 9.012 7.439 -3.415 1.00 0.00 C ATOM 1545 CG HIS A 98 10.321 8.056 -3.003 1.00 0.00 C ATOM 1546 ND1 HIS A 98 11.478 8.098 -3.783 1.00 0.00 N ATOM 1547 CD2 HIS A 98 10.566 8.669 -1.808 1.00 0.00 C ATOM 1548 CE1 HIS A 98 12.392 8.741 -3.036 1.00 0.00 C ATOM 1549 NE2 HIS A 98 11.874 9.096 -1.846 1.00 0.00 N ATOM 0 H HIS A 98 7.019 9.492 -3.151 1.00 0.00 H new ATOM 0 HA HIS A 98 8.783 8.476 -5.285 1.00 0.00 H new ATOM 0 HB2 HIS A 98 8.416 7.251 -2.522 1.00 0.00 H new ATOM 0 HB3 HIS A 98 9.210 6.471 -3.876 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.870 8.794 -0.992 1.00 0.00 H new ATOM 0 HE1 HIS A 98 13.405 8.945 -3.349 1.00 0.00 H new ATOM 0 HE2 HIS A 98 12.364 9.594 -1.103 1.00 0.00 H new ATOM 1557 N ARG A 99 6.413 7.911 -6.063 1.00 0.00 N ATOM 1558 CA ARG A 99 5.107 7.470 -6.585 1.00 0.00 C ATOM 1559 C ARG A 99 4.893 5.948 -6.585 1.00 0.00 C ATOM 1560 O ARG A 99 3.810 5.490 -6.228 1.00 0.00 O ATOM 1561 CB ARG A 99 4.824 8.090 -7.945 1.00 0.00 C ATOM 1562 CG ARG A 99 5.842 7.771 -9.040 1.00 0.00 C ATOM 1563 CD ARG A 99 5.313 8.482 -10.275 1.00 0.00 C ATOM 1564 NE ARG A 99 6.159 8.239 -11.456 1.00 0.00 N ATOM 1565 CZ ARG A 99 5.905 8.634 -12.699 1.00 0.00 C ATOM 1566 NH1 ARG A 99 4.825 9.322 -13.008 1.00 0.00 N ATOM 1567 NH2 ARG A 99 6.749 8.337 -13.663 1.00 0.00 N ATOM 0 H ARG A 99 6.921 8.512 -6.712 1.00 0.00 H new ATOM 0 HA ARG A 99 4.369 7.843 -5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.841 7.757 -8.279 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.771 9.172 -7.827 1.00 0.00 H new ATOM 0 HG2 ARG A 99 6.837 8.128 -8.773 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.923 6.697 -9.205 1.00 0.00 H new ATOM 0 HD2 ARG A 99 4.297 8.144 -10.481 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.259 9.553 -10.082 1.00 0.00 H new ATOM 0 HE ARG A 99 7.023 7.718 -11.305 1.00 0.00 H new ATOM 0 HH11 ARG A 99 4.152 9.568 -12.282 1.00 0.00 H new ATOM 0 HH12 ARG A 99 4.662 9.609 -13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 99 7.594 7.806 -13.455 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.558 8.638 -14.619 1.00 0.00 H new ATOM 1581 N PHE A 100 5.947 5.188 -6.906 1.00 0.00 N ATOM 1582 CA PHE A 100 5.978 3.720 -6.852 1.00 0.00 C ATOM 1583 C PHE A 100 7.332 3.149 -6.378 1.00 0.00 C ATOM 1584 O PHE A 100 7.404 1.985 -5.992 1.00 0.00 O ATOM 1585 CB PHE A 100 5.641 3.148 -8.235 1.00 0.00 C ATOM 1586 CG PHE A 100 4.335 3.607 -8.850 1.00 0.00 C ATOM 1587 CD1 PHE A 100 3.115 3.236 -8.257 1.00 0.00 C ATOM 1588 CD2 PHE A 100 4.335 4.408 -10.009 1.00 0.00 C ATOM 1589 CE1 PHE A 100 1.902 3.683 -8.801 1.00 0.00 C ATOM 1590 CE2 PHE A 100 3.119 4.858 -10.552 1.00 0.00 C ATOM 1591 CZ PHE A 100 1.903 4.497 -9.945 1.00 0.00 C ATOM 0 H PHE A 100 6.830 5.590 -7.221 1.00 0.00 H new ATOM 0 HA PHE A 100 5.234 3.420 -6.114 1.00 0.00 H new ATOM 0 HB2 PHE A 100 6.450 3.405 -8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.621 2.061 -8.160 1.00 0.00 H new ATOM 0 HD1 PHE A 100 3.112 2.605 -7.380 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.269 4.676 -10.480 1.00 0.00 H new ATOM 0 HE1 PHE A 100 0.967 3.401 -8.340 1.00 0.00 H new ATOM 0 HE2 PHE A 100 3.119 5.480 -11.435 1.00 0.00 H new ATOM 0 HZ PHE A 100 0.969 4.846 -10.359 1.00 0.00 H new ATOM 1601 N ASP A 101 8.405 3.954 -6.379 1.00 0.00 N ATOM 1602 CA ASP A 101 9.785 3.512 -6.109 1.00 0.00 C ATOM 1603 C ASP A 101 10.053 3.145 -4.634 1.00 0.00 C ATOM 1604 O ASP A 101 11.037 2.467 -4.333 1.00 0.00 O ATOM 1605 CB ASP A 101 10.744 4.612 -6.593 1.00 0.00 C ATOM 1606 CG ASP A 101 12.221 4.188 -6.541 1.00 0.00 C ATOM 1607 OD1 ASP A 101 12.604 3.262 -7.294 1.00 0.00 O ATOM 1608 OD2 ASP A 101 13.003 4.798 -5.774 1.00 0.00 O ATOM 0 H ASP A 101 8.338 4.953 -6.572 1.00 0.00 H new ATOM 0 HA ASP A 101 9.951 2.584 -6.656 1.00 0.00 H new ATOM 0 HB2 ASP A 101 10.486 4.886 -7.616 1.00 0.00 H new ATOM 0 HB3 ASP A 101 10.606 5.502 -5.980 1.00 0.00 H new ATOM 1613 N ALA A 102 9.157 3.537 -3.719 1.00 0.00 N ATOM 1614 CA ALA A 102 9.196 3.153 -2.304 1.00 0.00 C ATOM 1615 C ALA A 102 8.826 1.673 -2.052 1.00 0.00 C ATOM 1616 O ALA A 102 8.980 1.188 -0.928 1.00 0.00 O ATOM 1617 CB ALA A 102 8.282 4.103 -1.522 1.00 0.00 C ATOM 0 H ALA A 102 8.369 4.143 -3.948 1.00 0.00 H new ATOM 0 HA ALA A 102 10.225 3.243 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 102 8.296 3.834 -0.466 1.00 0.00 H new ATOM 0 HB2 ALA A 102 8.635 5.127 -1.641 1.00 0.00 H new ATOM 0 HB3 ALA A 102 7.264 4.024 -1.903 1.00 0.00 H new ATOM 1623 N TRP A 103 8.374 0.952 -3.086 1.00 0.00 N ATOM 1624 CA TRP A 103 7.948 -0.448 -3.023 1.00 0.00 C ATOM 1625 C TRP A 103 8.687 -1.307 -4.048 1.00 0.00 C ATOM 1626 O TRP A 103 8.734 -0.997 -5.241 1.00 0.00 O ATOM 1627 CB TRP A 103 6.434 -0.513 -3.240 1.00 0.00 C ATOM 1628 CG TRP A 103 5.618 0.199 -2.208 1.00 0.00 C ATOM 1629 CD1 TRP A 103 5.253 -0.324 -1.020 1.00 0.00 C ATOM 1630 CD2 TRP A 103 5.053 1.550 -2.236 1.00 0.00 C ATOM 1631 NE1 TRP A 103 4.493 0.591 -0.325 1.00 0.00 N ATOM 1632 CE2 TRP A 103 4.313 1.758 -1.033 1.00 0.00 C ATOM 1633 CE3 TRP A 103 5.082 2.618 -3.158 1.00 0.00 C ATOM 1634 CZ2 TRP A 103 3.606 2.943 -0.776 1.00 0.00 C ATOM 1635 CZ3 TRP A 103 4.386 3.816 -2.910 1.00 0.00 C ATOM 1636 CH2 TRP A 103 3.637 3.975 -1.729 1.00 0.00 C ATOM 0 H TRP A 103 8.293 1.345 -4.024 1.00 0.00 H new ATOM 0 HA TRP A 103 8.194 -0.851 -2.041 1.00 0.00 H new ATOM 0 HB2 TRP A 103 6.204 -0.091 -4.218 1.00 0.00 H new ATOM 0 HB3 TRP A 103 6.130 -1.559 -3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.516 -1.310 -0.667 1.00 0.00 H new ATOM 0 HE1 TRP A 103 4.109 0.424 0.605 1.00 0.00 H new ATOM 0 HE3 TRP A 103 5.649 2.514 -4.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 3.047 3.060 0.140 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 4.427 4.619 -3.631 1.00 0.00 H new ATOM 0 HH2 TRP A 103 3.087 4.888 -1.556 1.00 0.00 H new ATOM 1647 N TYR A 104 9.273 -2.405 -3.570 1.00 0.00 N ATOM 1648 CA TYR A 104 10.171 -3.235 -4.367 1.00 0.00 C ATOM 1649 C TYR A 104 9.453 -4.051 -5.451 1.00 0.00 C ATOM 1650 O TYR A 104 9.998 -4.222 -6.541 1.00 0.00 O ATOM 1651 CB TYR A 104 10.980 -4.139 -3.432 1.00 0.00 C ATOM 1652 CG TYR A 104 12.186 -4.731 -4.125 1.00 0.00 C ATOM 1653 CD1 TYR A 104 13.295 -3.905 -4.382 1.00 0.00 C ATOM 1654 CD2 TYR A 104 12.181 -6.069 -4.561 1.00 0.00 C ATOM 1655 CE1 TYR A 104 14.410 -4.417 -5.074 1.00 0.00 C ATOM 1656 CE2 TYR A 104 13.293 -6.588 -5.253 1.00 0.00 C ATOM 1657 CZ TYR A 104 14.411 -5.761 -5.512 1.00 0.00 C ATOM 1658 OH TYR A 104 15.489 -6.253 -6.186 1.00 0.00 O ATOM 0 H TYR A 104 9.137 -2.743 -2.617 1.00 0.00 H new ATOM 0 HA TYR A 104 10.840 -2.568 -4.910 1.00 0.00 H new ATOM 0 HB2 TYR A 104 11.305 -3.565 -2.564 1.00 0.00 H new ATOM 0 HB3 TYR A 104 10.343 -4.942 -3.063 1.00 0.00 H new ATOM 0 HD1 TYR A 104 13.292 -2.878 -4.049 1.00 0.00 H new ATOM 0 HD2 TYR A 104 11.325 -6.698 -4.365 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.263 -3.784 -5.270 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.292 -7.616 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 104 15.331 -7.193 -6.415 1.00 0.00 H new ATOM 1668 N GLY A 105 8.214 -4.493 -5.201 1.00 0.00 N ATOM 1669 CA GLY A 105 7.424 -5.296 -6.140 1.00 0.00 C ATOM 1670 C GLY A 105 7.163 -4.587 -7.462 1.00 0.00 C ATOM 1671 O GLY A 105 7.263 -5.203 -8.523 1.00 0.00 O ATOM 0 H GLY A 105 7.726 -4.299 -4.327 1.00 0.00 H new ATOM 0 HA2 GLY A 105 7.945 -6.233 -6.334 1.00 0.00 H new ATOM 0 HA3 GLY A 105 6.471 -5.551 -5.677 1.00 0.00 H new ATOM 1675 N TRP A 106 6.903 -3.280 -7.423 1.00 0.00 N ATOM 1676 CA TRP A 106 6.648 -2.503 -8.632 1.00 0.00 C ATOM 1677 C TRP A 106 7.864 -2.435 -9.572 1.00 0.00 C ATOM 1678 O TRP A 106 7.729 -2.611 -10.783 1.00 0.00 O ATOM 1679 CB TRP A 106 6.117 -1.123 -8.251 1.00 0.00 C ATOM 1680 CG TRP A 106 5.936 -0.218 -9.424 1.00 0.00 C ATOM 1681 CD1 TRP A 106 4.832 -0.106 -10.194 1.00 0.00 C ATOM 1682 CD2 TRP A 106 6.924 0.682 -10.001 1.00 0.00 C ATOM 1683 NE1 TRP A 106 5.075 0.797 -11.215 1.00 0.00 N ATOM 1684 CE2 TRP A 106 6.352 1.318 -11.140 1.00 0.00 C ATOM 1685 CE3 TRP A 106 8.249 1.021 -9.660 1.00 0.00 C ATOM 1686 CZ2 TRP A 106 7.073 2.239 -11.915 1.00 0.00 C ATOM 1687 CZ3 TRP A 106 8.988 1.930 -10.435 1.00 0.00 C ATOM 1688 CH2 TRP A 106 8.402 2.542 -11.561 1.00 0.00 C ATOM 0 H TRP A 106 6.864 -2.736 -6.561 1.00 0.00 H new ATOM 0 HA TRP A 106 5.882 -3.019 -9.211 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.162 -1.237 -7.738 1.00 0.00 H new ATOM 0 HB3 TRP A 106 6.805 -0.658 -7.545 1.00 0.00 H new ATOM 0 HD1 TRP A 106 3.905 -0.638 -10.038 1.00 0.00 H new ATOM 0 HE1 TRP A 106 4.395 1.047 -11.933 1.00 0.00 H new ATOM 0 HE3 TRP A 106 8.704 0.574 -8.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 6.615 2.710 -12.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 10.009 2.161 -10.167 1.00 0.00 H new ATOM 0 HH2 TRP A 106 8.972 3.243 -12.152 1.00 0.00 H new ATOM 1699 N LYS A 107 9.066 -2.255 -9.022 1.00 0.00 N ATOM 1700 CA LYS A 107 10.328 -2.249 -9.780 1.00 0.00 C ATOM 1701 C LYS A 107 10.906 -3.659 -10.044 1.00 0.00 C ATOM 1702 O LYS A 107 11.809 -3.802 -10.871 1.00 0.00 O ATOM 1703 CB LYS A 107 11.320 -1.255 -9.140 1.00 0.00 C ATOM 1704 CG LYS A 107 11.577 -1.463 -7.637 1.00 0.00 C ATOM 1705 CD LYS A 107 12.352 -0.305 -6.992 1.00 0.00 C ATOM 1706 CE LYS A 107 13.736 -0.080 -7.614 1.00 0.00 C ATOM 1707 NZ LYS A 107 14.400 1.108 -7.022 1.00 0.00 N ATOM 0 H LYS A 107 9.197 -2.106 -8.021 1.00 0.00 H new ATOM 0 HA LYS A 107 10.117 -1.889 -10.787 1.00 0.00 H new ATOM 0 HB2 LYS A 107 12.271 -1.325 -9.668 1.00 0.00 H new ATOM 0 HB3 LYS A 107 10.944 -0.243 -9.292 1.00 0.00 H new ATOM 0 HG2 LYS A 107 10.622 -1.583 -7.125 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.134 -2.389 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 107 11.767 0.610 -7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 107 12.468 -0.504 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 107 14.356 -0.963 -7.458 1.00 0.00 H new ATOM 0 HE3 LYS A 107 13.637 0.054 -8.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 15.288 1.298 -7.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 13.772 1.933 -7.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.606 0.927 -6.019 1.00 0.00 H new ATOM 1721 N ASN A 108 10.352 -4.702 -9.412 1.00 0.00 N ATOM 1722 CA ASN A 108 10.743 -6.106 -9.594 1.00 0.00 C ATOM 1723 C ASN A 108 9.876 -6.872 -10.620 1.00 0.00 C ATOM 1724 O ASN A 108 10.407 -7.722 -11.335 1.00 0.00 O ATOM 1725 CB ASN A 108 10.708 -6.798 -8.223 1.00 0.00 C ATOM 1726 CG ASN A 108 11.170 -8.251 -8.288 1.00 0.00 C ATOM 1727 OD1 ASN A 108 12.338 -8.542 -8.517 1.00 0.00 O ATOM 1728 ND2 ASN A 108 10.272 -9.201 -8.090 1.00 0.00 N ATOM 0 H ASN A 108 9.595 -4.588 -8.738 1.00 0.00 H new ATOM 0 HA ASN A 108 11.750 -6.118 -10.012 1.00 0.00 H new ATOM 0 HB2 ASN A 108 11.343 -6.250 -7.527 1.00 0.00 H new ATOM 0 HB3 ASN A 108 9.693 -6.760 -7.827 1.00 0.00 H new ATOM 0 HD21 ASN A 108 10.550 -10.182 -8.127 1.00 0.00 H new ATOM 0 HD22 ASN A 108 9.301 -8.953 -7.900 1.00 0.00 H new ATOM 1735 N HIS A 109 8.567 -6.581 -10.722 1.00 0.00 N ATOM 1736 CA HIS A 109 7.629 -7.355 -11.563 1.00 0.00 C ATOM 1737 C HIS A 109 6.626 -6.518 -12.395 1.00 0.00 C ATOM 1738 O HIS A 109 6.328 -6.884 -13.535 1.00 0.00 O ATOM 1739 CB HIS A 109 6.949 -8.445 -10.701 1.00 0.00 C ATOM 1740 CG HIS A 109 5.490 -8.218 -10.387 1.00 0.00 C ATOM 1741 ND1 HIS A 109 4.426 -8.752 -11.117 1.00 0.00 N ATOM 1742 CD2 HIS A 109 4.992 -7.465 -9.366 1.00 0.00 C ATOM 1743 CE1 HIS A 109 3.313 -8.304 -10.513 1.00 0.00 C ATOM 1744 NE2 HIS A 109 3.619 -7.518 -9.466 1.00 0.00 N ATOM 0 H HIS A 109 8.128 -5.805 -10.226 1.00 0.00 H new ATOM 0 HA HIS A 109 8.227 -7.830 -12.341 1.00 0.00 H new ATOM 0 HB2 HIS A 109 7.046 -9.401 -11.215 1.00 0.00 H new ATOM 0 HB3 HIS A 109 7.494 -8.531 -9.761 1.00 0.00 H new ATOM 0 HD2 HIS A 109 5.563 -6.930 -8.622 1.00 0.00 H new ATOM 0 HE1 HIS A 109 2.307 -8.543 -10.826 1.00 0.00 H new ATOM 0 HE2 HIS A 109 2.953 -7.045 -8.855 1.00 0.00 H new ATOM 1752 N CYS A 110 6.181 -5.348 -11.910 1.00 0.00 N ATOM 1753 CA CYS A 110 5.239 -4.480 -12.653 1.00 0.00 C ATOM 1754 C CYS A 110 5.858 -3.791 -13.886 1.00 0.00 C ATOM 1755 O CYS A 110 5.134 -3.217 -14.699 1.00 0.00 O ATOM 1756 CB CYS A 110 4.619 -3.433 -11.720 1.00 0.00 C ATOM 1757 SG CYS A 110 3.793 -4.099 -10.255 1.00 0.00 S ATOM 0 H CYS A 110 6.457 -4.975 -11.002 1.00 0.00 H new ATOM 0 HA CYS A 110 4.464 -5.145 -13.033 1.00 0.00 H new ATOM 0 HB2 CYS A 110 5.403 -2.749 -11.396 1.00 0.00 H new ATOM 0 HB3 CYS A 110 3.898 -2.845 -12.288 1.00 0.00 H new ATOM 0 HG CYS A 110 2.910 -4.981 -10.618 1.00 0.00 H new ATOM 1762 N GLN A 111 7.185 -3.867 -14.050 1.00 0.00 N ATOM 1763 CA GLN A 111 7.900 -3.381 -15.238 1.00 0.00 C ATOM 1764 C GLN A 111 7.679 -4.281 -16.470 1.00 0.00 C ATOM 1765 O GLN A 111 7.831 -3.811 -17.599 1.00 0.00 O ATOM 1766 CB GLN A 111 9.411 -3.284 -14.944 1.00 0.00 C ATOM 1767 CG GLN A 111 9.790 -2.456 -13.704 1.00 0.00 C ATOM 1768 CD GLN A 111 9.258 -1.022 -13.742 1.00 0.00 C ATOM 1769 OE1 GLN A 111 9.612 -0.216 -14.593 1.00 0.00 O ATOM 1770 NE2 GLN A 111 8.388 -0.649 -12.828 1.00 0.00 N ATOM 0 H GLN A 111 7.803 -4.275 -13.349 1.00 0.00 H new ATOM 0 HA GLN A 111 7.495 -2.396 -15.469 1.00 0.00 H new ATOM 0 HB2 GLN A 111 9.805 -4.293 -14.821 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.906 -2.852 -15.814 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.407 -2.954 -12.813 1.00 0.00 H new ATOM 0 HG3 GLN A 111 10.876 -2.430 -13.612 1.00 0.00 H new ATOM 0 HE21 GLN A 111 8.084 -1.310 -12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 111 8.017 0.301 -12.834 1.00 0.00 H new ATOM 1779 N GLY A 112 7.318 -5.559 -16.272 1.00 0.00 N ATOM 1780 CA GLY A 112 7.093 -6.532 -17.349 1.00 0.00 C ATOM 1781 C GLY A 112 5.652 -6.527 -17.861 1.00 0.00 C ATOM 1782 O GLY A 112 5.427 -6.433 -19.067 1.00 0.00 O ATOM 0 H GLY A 112 7.172 -5.950 -15.341 1.00 0.00 H new ATOM 0 HA2 GLY A 112 7.768 -6.314 -18.176 1.00 0.00 H new ATOM 0 HA3 GLY A 112 7.342 -7.530 -16.989 1.00 0.00 H new ATOM 1786 N SER A 113 4.682 -6.597 -16.947 1.00 0.00 N ATOM 1787 CA SER A 113 3.247 -6.730 -17.246 1.00 0.00 C ATOM 1788 C SER A 113 2.375 -6.148 -16.120 1.00 0.00 C ATOM 1789 O SER A 113 2.717 -6.262 -14.939 1.00 0.00 O ATOM 1790 CB SER A 113 2.867 -8.214 -17.423 1.00 0.00 C ATOM 1791 OG SER A 113 3.473 -8.809 -18.564 1.00 0.00 O ATOM 0 H SER A 113 4.875 -6.562 -15.946 1.00 0.00 H new ATOM 0 HA SER A 113 3.065 -6.176 -18.167 1.00 0.00 H new ATOM 0 HB2 SER A 113 3.161 -8.768 -16.531 1.00 0.00 H new ATOM 0 HB3 SER A 113 1.784 -8.299 -17.508 1.00 0.00 H new ATOM 0 HG SER A 113 3.200 -9.748 -18.627 1.00 0.00 H new ATOM 1797 N LEU A 114 1.228 -5.555 -16.480 1.00 0.00 N ATOM 1798 CA LEU A 114 0.180 -5.096 -15.563 1.00 0.00 C ATOM 1799 C LEU A 114 -1.157 -5.818 -15.845 1.00 0.00 C ATOM 1800 O LEU A 114 -1.430 -6.140 -17.007 1.00 0.00 O ATOM 1801 CB LEU A 114 0.008 -3.580 -15.749 1.00 0.00 C ATOM 1802 CG LEU A 114 1.227 -2.727 -15.348 1.00 0.00 C ATOM 1803 CD1 LEU A 114 0.975 -1.286 -15.793 1.00 0.00 C ATOM 1804 CD2 LEU A 114 1.481 -2.761 -13.835 1.00 0.00 C ATOM 0 H LEU A 114 0.998 -5.376 -17.457 1.00 0.00 H new ATOM 0 HA LEU A 114 0.470 -5.324 -14.537 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -0.225 -3.383 -16.795 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -0.852 -3.254 -15.164 1.00 0.00 H new ATOM 0 HG LEU A 114 2.112 -3.137 -15.835 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.828 -0.666 -15.518 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.840 -1.257 -16.874 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.078 -0.906 -15.305 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.349 -2.146 -13.598 1.00 0.00 H new ATOM 0 HD22 LEU A 114 0.608 -2.373 -13.311 1.00 0.00 H new ATOM 0 HD23 LEU A 114 1.667 -3.788 -13.520 1.00 0.00 H new ATOM 1816 N PRO A 115 -2.020 -6.024 -14.830 1.00 0.00 N ATOM 1817 CA PRO A 115 -3.345 -6.609 -14.998 1.00 0.00 C ATOM 1818 C PRO A 115 -4.308 -5.607 -15.639 1.00 0.00 C ATOM 1819 O PRO A 115 -4.108 -4.395 -15.556 1.00 0.00 O ATOM 1820 CB PRO A 115 -3.798 -6.980 -13.586 1.00 0.00 C ATOM 1821 CG PRO A 115 -3.146 -5.905 -12.720 1.00 0.00 C ATOM 1822 CD PRO A 115 -1.818 -5.663 -13.436 1.00 0.00 C ATOM 0 HA PRO A 115 -3.327 -7.476 -15.659 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -4.884 -6.967 -13.495 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -3.466 -7.980 -13.306 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -3.752 -5.000 -12.672 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -2.998 -6.244 -11.695 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -1.515 -4.620 -13.347 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -1.024 -6.264 -12.992 1.00 0.00 H new ATOM 1830 N ASP A 116 -5.373 -6.114 -16.259 1.00 0.00 N ATOM 1831 CA ASP A 116 -6.488 -5.295 -16.744 1.00 0.00 C ATOM 1832 C ASP A 116 -7.448 -4.902 -15.601 1.00 0.00 C ATOM 1833 O ASP A 116 -7.655 -5.640 -14.634 1.00 0.00 O ATOM 1834 CB ASP A 116 -7.220 -6.033 -17.879 1.00 0.00 C ATOM 1835 CG ASP A 116 -8.375 -5.220 -18.496 1.00 0.00 C ATOM 1836 OD1 ASP A 116 -8.287 -3.968 -18.548 1.00 0.00 O ATOM 1837 OD2 ASP A 116 -9.380 -5.839 -18.913 1.00 0.00 O ATOM 0 H ASP A 116 -5.489 -7.111 -16.441 1.00 0.00 H new ATOM 0 HA ASP A 116 -6.087 -4.363 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -6.503 -6.282 -18.661 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -7.613 -6.974 -17.495 1.00 0.00 H new ATOM 1842 N ILE A 117 -8.052 -3.724 -15.753 1.00 0.00 N ATOM 1843 CA ILE A 117 -9.028 -3.105 -14.838 1.00 0.00 C ATOM 1844 C ILE A 117 -10.317 -2.664 -15.555 1.00 0.00 C ATOM 1845 O ILE A 117 -11.230 -2.146 -14.919 1.00 0.00 O ATOM 1846 CB ILE A 117 -8.382 -1.906 -14.106 1.00 0.00 C ATOM 1847 CG1 ILE A 117 -7.907 -0.846 -15.130 1.00 0.00 C ATOM 1848 CG2 ILE A 117 -7.250 -2.376 -13.172 1.00 0.00 C ATOM 1849 CD1 ILE A 117 -7.522 0.482 -14.491 1.00 0.00 C ATOM 0 H ILE A 117 -7.866 -3.136 -16.565 1.00 0.00 H new ATOM 0 HA ILE A 117 -9.315 -3.865 -14.112 1.00 0.00 H new ATOM 0 HB ILE A 117 -9.130 -1.431 -13.472 1.00 0.00 H new ATOM 0 HG12 ILE A 117 -7.051 -1.239 -15.678 1.00 0.00 H new ATOM 0 HG13 ILE A 117 -8.700 -0.674 -15.858 1.00 0.00 H new ATOM 0 HG21 ILE A 117 -6.812 -1.514 -12.669 1.00 0.00 H new ATOM 0 HG22 ILE A 117 -7.653 -3.064 -12.429 1.00 0.00 H new ATOM 0 HG23 ILE A 117 -6.483 -2.883 -13.757 1.00 0.00 H new ATOM 0 HD11 ILE A 117 -7.199 1.178 -15.265 1.00 0.00 H new ATOM 0 HD12 ILE A 117 -8.383 0.897 -13.967 1.00 0.00 H new ATOM 0 HD13 ILE A 117 -6.708 0.323 -13.783 1.00 0.00 H new ATOM 1861 N SER A 118 -10.409 -2.846 -16.872 1.00 0.00 N ATOM 1862 CA SER A 118 -11.531 -2.369 -17.705 1.00 0.00 C ATOM 1863 C SER A 118 -12.875 -3.066 -17.404 1.00 0.00 C ATOM 1864 O SER A 118 -13.936 -2.586 -17.808 1.00 0.00 O ATOM 1865 CB SER A 118 -11.197 -2.538 -19.198 1.00 0.00 C ATOM 1866 OG SER A 118 -9.936 -1.977 -19.546 1.00 0.00 O ATOM 0 H SER A 118 -9.695 -3.339 -17.408 1.00 0.00 H new ATOM 0 HA SER A 118 -11.657 -1.316 -17.454 1.00 0.00 H new ATOM 0 HB2 SER A 118 -11.200 -3.599 -19.449 1.00 0.00 H new ATOM 0 HB3 SER A 118 -11.977 -2.067 -19.796 1.00 0.00 H new ATOM 0 HG SER A 118 -9.219 -2.577 -19.252 1.00 0.00 H new ATOM 1872 N SER A 119 -12.852 -4.184 -16.677 1.00 0.00 N ATOM 1873 CA SER A 119 -14.026 -4.910 -16.174 1.00 0.00 C ATOM 1874 C SER A 119 -14.525 -4.420 -14.797 1.00 0.00 C ATOM 1875 O SER A 119 -15.615 -4.811 -14.363 1.00 0.00 O ATOM 1876 CB SER A 119 -13.671 -6.402 -16.095 1.00 0.00 C ATOM 1877 OG SER A 119 -12.466 -6.617 -15.362 1.00 0.00 O ATOM 0 H SER A 119 -11.975 -4.631 -16.409 1.00 0.00 H new ATOM 0 HA SER A 119 -14.845 -4.725 -16.869 1.00 0.00 H new ATOM 0 HB2 SER A 119 -14.488 -6.946 -15.621 1.00 0.00 H new ATOM 0 HB3 SER A 119 -13.562 -6.804 -17.102 1.00 0.00 H new ATOM 0 HG SER A 119 -12.270 -7.577 -15.329 1.00 0.00 H new ATOM 1883 N CYS A 120 -13.751 -3.566 -14.114 1.00 0.00 N ATOM 1884 CA CYS A 120 -14.021 -3.053 -12.768 1.00 0.00 C ATOM 1885 C CYS A 120 -14.830 -1.738 -12.798 1.00 0.00 C ATOM 1886 O CYS A 120 -14.373 -0.746 -13.413 1.00 0.00 O ATOM 1887 CB CYS A 120 -12.683 -2.874 -12.034 1.00 0.00 C ATOM 1888 SG CYS A 120 -11.594 -4.325 -12.014 1.00 0.00 S ATOM 1889 OXT CYS A 120 -15.898 -1.684 -12.149 1.00 0.00 O ATOM 0 H CYS A 120 -12.882 -3.199 -14.503 1.00 0.00 H new ATOM 0 HA CYS A 120 -14.640 -3.773 -12.232 1.00 0.00 H new ATOM 0 HB2 CYS A 120 -12.145 -2.046 -12.495 1.00 0.00 H new ATOM 0 HB3 CYS A 120 -12.891 -2.585 -11.004 1.00 0.00 H new ATOM 0 HG CYS A 120 -12.228 -5.336 -11.499 1.00 0.00 H new