USER MOD reduce.3.24.130724 H: found=0, std=0, add=829, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 0 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 74 SER OG : rot -123:sc= 0.0594 USER MOD Set 1.2: A 86 SER OG : rot 53:sc= 0.0926 USER MOD Set 1.3: A 87 LYS NZ :NH3+ 152:sc= -0.0178 (180deg=-0.865) USER MOD Set 2.1: A 7 SER OG : rot -146:sc= 0.112 USER MOD Set 2.2: A 75 TYR OH : rot 130:sc= 0.108 USER MOD Set 3.1: A 8 MET CE :methyl -147:sc= -3.48 (180deg=-6.31!) USER MOD Set 3.2: A 73 TYR OH : rot 115:sc= -0.452 USER MOD Set 4.1: A 17 HIS :FLIP no HD1:sc= -0.36 F(o=-2.5,f=-1) USER MOD Set 4.2: A 20 MET CE :methyl -152:sc= -0.639 (180deg=-2.11!) USER MOD Single : A 1 ALA N :NH3+ -155:sc= -0.808 (180deg=-1.27) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0.049) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.49) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 25 TYR OH : rot -103:sc= 0.225 USER MOD Single : A 28 TYR OH : rot 141:sc= 0.285 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= -1.54 K(o=-1.5,f=-2.1!) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-0.53) USER MOD Single : A 52 TYR OH : rot 64:sc= 0.371 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0.0168 X(o=0.017,f=0) USER MOD Single : A 60 SER OG : rot -140:sc= 0.00418 USER MOD Single : A 69 TYR OH : rot 120:sc= -0.545 USER MOD Single : A 70 THR OG1 : rot -61:sc= 1 USER MOD Single : A 72 SER OG : rot 39:sc= 0.426 USER MOD Single : A 76 SER OG : rot -170:sc= -0.547 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 1.12 K(o=1.1,f=-2.6) USER MOD Single : A 88 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0.092) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=-0.062) USER MOD Single : A 101 ASN : amide:sc= 0.00443 X(o=0.0044,f=0) USER MOD Single : A 107 SER OG : rot 74:sc= 0.814 USER MOD Single : A 108 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.973) USER MOD Single : A 111 TYR OH : rot -35:sc= 0.518 USER MOD Single : A 112 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 113 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.01) USER MOD Single : A 115 HIS : no HE2:sc= -1.67 K(o=-1.7,f=-3) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 120 THR OG1 : rot -50:sc= 0.515 USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 LYS NZ :NH3+ 139:sc= 0.0564 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -8.633 1.492 3.262 1.00 0.00 N ATOM 2 CA ALA A 1 -8.015 2.602 3.987 1.00 0.00 C ATOM 3 C ALA A 1 -6.520 2.372 4.187 1.00 0.00 C ATOM 4 O ALA A 1 -6.047 1.246 4.363 1.00 0.00 O ATOM 5 CB ALA A 1 -8.674 2.751 5.353 1.00 0.00 C ATOM 0 H1 ALA A 1 -9.490 1.828 2.778 1.00 0.00 H new ATOM 0 H2 ALA A 1 -7.962 1.120 2.560 1.00 0.00 H new ATOM 0 H3 ALA A 1 -8.887 0.738 3.932 1.00 0.00 H new ATOM 0 HA ALA A 1 -8.154 3.506 3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -8.212 3.578 5.891 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -9.738 2.951 5.224 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -8.544 1.830 5.922 1.00 0.00 H new ATOM 6 N LEU A 2 -5.787 3.480 4.189 1.00 0.00 N ATOM 7 CA LEU A 2 -4.338 3.478 4.387 1.00 0.00 C ATOM 8 C LEU A 2 -3.913 3.689 5.859 1.00 0.00 C ATOM 9 O LEU A 2 -3.003 2.990 6.268 1.00 0.00 O ATOM 10 CB LEU A 2 -3.813 4.585 3.474 1.00 0.00 C ATOM 11 CG LEU A 2 -2.274 4.689 3.459 1.00 0.00 C ATOM 12 CD1 LEU A 2 -1.641 4.438 2.101 1.00 0.00 C ATOM 13 CD2 LEU A 2 -1.902 6.047 4.024 1.00 0.00 C ATOM 0 H LEU A 2 -6.181 4.411 4.053 1.00 0.00 H new ATOM 0 HA LEU A 2 -3.917 2.503 4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -4.168 4.407 2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -4.231 5.539 3.795 1.00 0.00 H new ATOM 0 HG LEU A 2 -1.868 3.888 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -0.558 4.531 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -1.895 3.434 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -2.016 5.169 1.384 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -0.817 6.155 4.028 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -2.342 6.831 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -2.279 6.133 5.043 1.00 0.00 H new ATOM 14 N TRP A 3 -4.469 4.649 6.624 1.00 0.00 N ATOM 15 CA TRP A 3 -4.182 4.785 8.090 1.00 0.00 C ATOM 16 C TRP A 3 -4.542 3.516 8.904 1.00 0.00 C ATOM 17 O TRP A 3 -3.763 3.108 9.770 1.00 0.00 O ATOM 18 CB TRP A 3 -4.810 6.049 8.741 1.00 0.00 C ATOM 19 CG TRP A 3 -6.374 6.101 8.827 1.00 0.00 C ATOM 20 CD1 TRP A 3 -7.189 5.549 9.849 1.00 0.00 C ATOM 21 CD2 TRP A 3 -7.256 6.356 7.786 1.00 0.00 C ATOM 22 NE1 TRP A 3 -8.539 5.473 9.477 1.00 0.00 N ATOM 23 CE2 TRP A 3 -8.553 5.924 8.177 1.00 0.00 C ATOM 24 CE3 TRP A 3 -6.980 6.640 6.429 1.00 0.00 C ATOM 25 CZ2 TRP A 3 -9.557 5.731 7.181 1.00 0.00 C ATOM 26 CZ3 TRP A 3 -7.972 6.453 5.485 1.00 0.00 C ATOM 27 CH2 TRP A 3 -9.261 6.029 5.854 1.00 0.00 C ATOM 0 H TRP A 3 -5.120 5.347 6.264 1.00 0.00 H new ATOM 0 HA TRP A 3 -3.100 4.911 8.134 1.00 0.00 H new ATOM 0 HB2 TRP A 3 -4.412 6.144 9.751 1.00 0.00 H new ATOM 0 HB3 TRP A 3 -4.472 6.922 8.182 1.00 0.00 H new ATOM 0 HD1 TRP A 3 -6.812 5.223 10.807 1.00 0.00 H new ATOM 0 HE1 TRP A 3 -9.328 5.156 10.040 1.00 0.00 H new ATOM 0 HE3 TRP A 3 -6.005 6.999 6.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 3 -10.533 5.359 7.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 3 -7.753 6.636 4.443 1.00 0.00 H new ATOM 0 HH2 TRP A 3 -10.029 5.934 5.100 1.00 0.00 H new ATOM 28 N GLN A 4 -5.707 2.909 8.591 1.00 0.00 N ATOM 29 CA GLN A 4 -6.098 1.620 9.156 1.00 0.00 C ATOM 30 C GLN A 4 -5.284 0.416 8.597 1.00 0.00 C ATOM 31 O GLN A 4 -5.173 -0.552 9.354 1.00 0.00 O ATOM 32 CB GLN A 4 -7.615 1.393 9.085 1.00 0.00 C ATOM 33 CG GLN A 4 -8.388 1.864 10.331 1.00 0.00 C ATOM 34 CD GLN A 4 -9.879 1.534 10.249 1.00 0.00 C ATOM 35 OE1 GLN A 4 -10.329 0.515 10.771 1.00 0.00 O ATOM 36 NE2 GLN A 4 -10.674 2.374 9.604 1.00 0.00 N ATOM 0 H GLN A 4 -6.391 3.303 7.944 1.00 0.00 H new ATOM 0 HA GLN A 4 -5.835 1.671 10.212 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -8.007 1.913 8.211 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -7.804 0.330 8.935 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -7.963 1.395 11.218 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.262 2.940 10.448 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -10.287 3.215 9.176 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -11.673 2.180 9.535 1.00 0.00 H new ATOM 37 N PHE A 5 -4.713 0.437 7.347 1.00 0.00 N ATOM 38 CA PHE A 5 -3.661 -0.562 6.980 1.00 0.00 C ATOM 39 C PHE A 5 -2.262 -0.209 7.568 1.00 0.00 C ATOM 40 O PHE A 5 -1.437 -1.107 7.657 1.00 0.00 O ATOM 41 CB PHE A 5 -3.736 -1.005 5.504 1.00 0.00 C ATOM 42 CG PHE A 5 -2.567 -0.841 4.541 1.00 0.00 C ATOM 43 CD1 PHE A 5 -2.126 0.440 4.273 1.00 0.00 C ATOM 44 CD2 PHE A 5 -1.967 -1.909 3.845 1.00 0.00 C ATOM 45 CE1 PHE A 5 -1.132 0.680 3.337 1.00 0.00 C ATOM 46 CE2 PHE A 5 -0.982 -1.663 2.881 1.00 0.00 C ATOM 47 CZ PHE A 5 -0.564 -0.365 2.632 1.00 0.00 C ATOM 0 H PHE A 5 -4.952 1.102 6.612 1.00 0.00 H new ATOM 0 HA PHE A 5 -3.886 -1.496 7.494 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -3.990 -2.065 5.509 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.581 -0.477 5.062 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.565 1.272 4.804 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -2.269 -2.924 4.057 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.799 1.691 3.157 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -0.548 -2.485 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 5 0.199 -0.171 1.893 1.00 0.00 H new ATOM 48 N ARG A 6 -2.002 1.042 7.986 1.00 0.00 N ATOM 49 CA ARG A 6 -0.755 1.459 8.643 1.00 0.00 C ATOM 50 C ARG A 6 -0.521 1.209 10.145 1.00 0.00 C ATOM 51 O ARG A 6 0.247 1.918 10.795 1.00 0.00 O ATOM 52 CB ARG A 6 -0.564 2.957 8.266 1.00 0.00 C ATOM 53 CG ARG A 6 0.550 3.081 7.235 1.00 0.00 C ATOM 54 CD ARG A 6 0.292 2.615 5.808 1.00 0.00 C ATOM 55 NE ARG A 6 1.473 1.936 5.212 1.00 0.00 N ATOM 56 CZ ARG A 6 1.919 2.053 3.941 1.00 0.00 C ATOM 57 NH1 ARG A 6 1.398 2.865 3.030 1.00 0.00 N ATOM 58 NH2 ARG A 6 2.948 1.323 3.561 1.00 0.00 N ATOM 0 H ARG A 6 -2.668 1.806 7.873 1.00 0.00 H new ATOM 0 HA ARG A 6 0.005 0.775 8.265 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -1.492 3.364 7.865 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -0.319 3.539 9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 6 0.842 4.130 7.191 1.00 0.00 H new ATOM 0 HG3 ARG A 6 1.410 2.527 7.612 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -0.559 1.933 5.799 1.00 0.00 H new ATOM 0 HD3 ARG A 6 0.020 3.472 5.192 1.00 0.00 H new ATOM 0 HE ARG A 6 2.002 1.317 5.826 1.00 0.00 H new ATOM 0 HH11 ARG A 6 0.604 3.458 3.270 1.00 0.00 H new ATOM 0 HH12 ARG A 6 1.792 2.896 2.090 1.00 0.00 H new ATOM 0 HH21 ARG A 6 3.392 0.685 4.221 1.00 0.00 H new ATOM 0 HH22 ARG A 6 3.300 1.396 2.607 1.00 0.00 H new ATOM 59 N SER A 7 -1.210 0.205 10.661 1.00 0.00 N ATOM 60 CA SER A 7 -0.945 -0.338 12.047 1.00 0.00 C ATOM 61 C SER A 7 -0.263 -1.720 11.974 1.00 0.00 C ATOM 62 O SER A 7 0.880 -1.971 12.337 1.00 0.00 O ATOM 63 CB SER A 7 -2.200 -0.192 12.916 1.00 0.00 C ATOM 64 OG SER A 7 -1.966 -0.652 14.243 1.00 0.00 O ATOM 0 H SER A 7 -1.964 -0.272 10.167 1.00 0.00 H new ATOM 0 HA SER A 7 -0.203 0.256 12.581 1.00 0.00 H new ATOM 0 HB2 SER A 7 -2.509 0.853 12.940 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.020 -0.757 12.472 1.00 0.00 H new ATOM 0 HG SER A 7 -2.785 -1.055 14.599 1.00 0.00 H new ATOM 65 N MET A 8 -1.092 -2.602 11.487 1.00 0.00 N ATOM 66 CA MET A 8 -0.790 -3.824 10.750 1.00 0.00 C ATOM 67 C MET A 8 0.335 -3.782 9.683 1.00 0.00 C ATOM 68 O MET A 8 0.993 -4.807 9.534 1.00 0.00 O ATOM 69 CB MET A 8 -2.181 -4.209 10.160 1.00 0.00 C ATOM 70 CG MET A 8 -3.151 -3.070 9.761 1.00 0.00 C ATOM 71 SD MET A 8 -4.570 -3.626 8.859 1.00 0.00 S ATOM 72 CE MET A 8 -3.678 -4.071 7.402 1.00 0.00 C ATOM 0 H MET A 8 -2.098 -2.482 11.601 1.00 0.00 H new ATOM 0 HA MET A 8 -0.344 -4.560 11.419 1.00 0.00 H new ATOM 0 HB2 MET A 8 -2.009 -4.823 9.276 1.00 0.00 H new ATOM 0 HB3 MET A 8 -2.689 -4.838 10.891 1.00 0.00 H new ATOM 0 HG2 MET A 8 -3.483 -2.555 10.663 1.00 0.00 H new ATOM 0 HG3 MET A 8 -2.611 -2.340 9.158 1.00 0.00 H new ATOM 0 HE1 MET A 8 -4.303 -3.897 6.526 1.00 0.00 H new ATOM 0 HE2 MET A 8 -2.774 -3.466 7.329 1.00 0.00 H new ATOM 0 HE3 MET A 8 -3.405 -5.125 7.450 1.00 0.00 H new ATOM 73 N ILE A 9 0.638 -2.667 8.974 1.00 0.00 N ATOM 74 CA ILE A 9 1.931 -2.545 8.200 1.00 0.00 C ATOM 75 C ILE A 9 3.163 -2.588 9.152 1.00 0.00 C ATOM 76 O ILE A 9 4.147 -3.174 8.739 1.00 0.00 O ATOM 77 CB ILE A 9 1.896 -1.425 7.130 1.00 0.00 C ATOM 78 CG1 ILE A 9 0.850 -1.800 6.025 1.00 0.00 C ATOM 79 CG2 ILE A 9 3.221 -1.054 6.402 1.00 0.00 C ATOM 80 CD1 ILE A 9 1.432 -2.528 4.837 1.00 0.00 C ATOM 0 H ILE A 9 0.031 -1.849 8.912 1.00 0.00 H new ATOM 0 HA ILE A 9 2.056 -3.430 7.577 1.00 0.00 H new ATOM 0 HB ILE A 9 1.644 -0.542 7.718 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.074 -2.421 6.472 1.00 0.00 H new ATOM 0 HG13 ILE A 9 0.366 -0.888 5.676 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.031 -0.255 5.685 1.00 0.00 H new ATOM 0 HG22 ILE A 9 3.956 -0.718 7.133 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.605 -1.929 5.877 1.00 0.00 H new ATOM 0 HD11 ILE A 9 0.640 -2.749 4.122 1.00 0.00 H new ATOM 0 HD12 ILE A 9 2.187 -1.902 4.361 1.00 0.00 H new ATOM 0 HD13 ILE A 9 1.890 -3.459 5.170 1.00 0.00 H new ATOM 81 N LYS A 10 3.097 -2.081 10.397 1.00 0.00 N ATOM 82 CA LYS A 10 4.132 -2.336 11.449 1.00 0.00 C ATOM 83 C LYS A 10 4.174 -3.772 12.053 1.00 0.00 C ATOM 84 O LYS A 10 5.235 -4.239 12.465 1.00 0.00 O ATOM 85 CB LYS A 10 4.024 -1.461 12.719 1.00 0.00 C ATOM 86 CG LYS A 10 4.055 0.023 12.409 1.00 0.00 C ATOM 87 CD LYS A 10 2.659 0.616 12.486 1.00 0.00 C ATOM 88 CE LYS A 10 2.561 2.057 12.995 1.00 0.00 C ATOM 89 NZ LYS A 10 2.859 2.175 14.436 1.00 0.00 N ATOM 0 H LYS A 10 2.333 -1.484 10.714 1.00 0.00 H new ATOM 0 HA LYS A 10 5.010 -2.114 10.843 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.098 -1.700 13.243 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.844 -1.705 13.394 1.00 0.00 H new ATOM 0 HG2 LYS A 10 4.712 0.533 13.114 1.00 0.00 H new ATOM 0 HG3 LYS A 10 4.469 0.183 11.414 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.214 0.573 11.492 1.00 0.00 H new ATOM 0 HD3 LYS A 10 2.053 -0.018 13.134 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.253 2.684 12.433 1.00 0.00 H new ATOM 0 HE3 LYS A 10 1.558 2.438 12.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.778 3.170 14.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 2.183 1.600 14.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.826 1.838 14.619 1.00 0.00 H new ATOM 90 N CYS A 11 3.017 -4.442 12.180 1.00 0.00 N ATOM 91 CA CYS A 11 3.009 -5.920 12.407 1.00 0.00 C ATOM 92 C CYS A 11 3.826 -6.683 11.278 1.00 0.00 C ATOM 93 O CYS A 11 4.672 -7.525 11.571 1.00 0.00 O ATOM 94 CB CYS A 11 1.575 -6.437 12.452 1.00 0.00 C ATOM 95 SG CYS A 11 0.564 -5.719 13.740 1.00 0.00 S ATOM 0 H CYS A 11 2.094 -4.011 12.133 1.00 0.00 H new ATOM 0 HA CYS A 11 3.493 -6.114 13.364 1.00 0.00 H new ATOM 0 HB2 CYS A 11 1.103 -6.245 11.488 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.597 -7.519 12.586 1.00 0.00 H new ATOM 96 N ALA A 12 3.585 -6.245 10.037 1.00 0.00 N ATOM 97 CA ALA A 12 4.362 -6.588 8.835 1.00 0.00 C ATOM 98 C ALA A 12 5.823 -6.095 8.759 1.00 0.00 C ATOM 99 O ALA A 12 6.610 -6.737 8.061 1.00 0.00 O ATOM 100 CB ALA A 12 3.488 -6.075 7.672 1.00 0.00 C ATOM 0 H ALA A 12 2.810 -5.614 9.832 1.00 0.00 H new ATOM 0 HA ALA A 12 4.542 -7.663 8.819 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.984 -6.285 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.521 -6.577 7.695 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.341 -5.000 7.774 1.00 0.00 H new ATOM 101 N ILE A 13 6.236 -5.028 9.446 1.00 0.00 N ATOM 102 CA ILE A 13 7.539 -4.388 9.314 1.00 0.00 C ATOM 103 C ILE A 13 7.886 -4.340 10.821 1.00 0.00 C ATOM 104 O ILE A 13 7.453 -3.383 11.474 1.00 0.00 O ATOM 105 CB ILE A 13 7.221 -3.031 8.595 1.00 0.00 C ATOM 106 CG1 ILE A 13 6.737 -3.200 7.132 1.00 0.00 C ATOM 107 CG2 ILE A 13 8.288 -1.951 8.666 1.00 0.00 C ATOM 108 CD1 ILE A 13 7.588 -4.053 6.223 1.00 0.00 C ATOM 0 H ILE A 13 5.643 -4.570 10.138 1.00 0.00 H new ATOM 0 HA ILE A 13 8.361 -4.819 8.743 1.00 0.00 H new ATOM 0 HB ILE A 13 6.396 -2.664 9.206 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.734 -3.625 7.154 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.653 -2.209 6.686 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.945 -1.065 8.131 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.477 -1.695 9.708 1.00 0.00 H new ATOM 0 HG23 ILE A 13 9.208 -2.317 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.138 -4.089 5.231 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.588 -3.625 6.153 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.654 -5.063 6.628 1.00 0.00 H new ATOM 109 N PRO A 14 8.651 -5.304 11.434 1.00 0.00 N ATOM 110 CA PRO A 14 9.243 -5.157 12.837 1.00 0.00 C ATOM 111 C PRO A 14 9.894 -3.761 12.993 1.00 0.00 C ATOM 112 O PRO A 14 9.450 -2.948 13.808 1.00 0.00 O ATOM 113 CB PRO A 14 10.172 -6.382 12.970 1.00 0.00 C ATOM 114 CG PRO A 14 9.673 -7.371 11.880 1.00 0.00 C ATOM 115 CD PRO A 14 9.243 -6.448 10.731 1.00 0.00 C ATOM 0 HA PRO A 14 8.527 -5.170 13.659 1.00 0.00 H new ATOM 0 HB2 PRO A 14 11.215 -6.108 12.810 1.00 0.00 H new ATOM 0 HB3 PRO A 14 10.107 -6.823 13.965 1.00 0.00 H new ATOM 0 HG2 PRO A 14 10.460 -8.058 11.570 1.00 0.00 H new ATOM 0 HG3 PRO A 14 8.843 -7.979 12.239 1.00 0.00 H new ATOM 0 HD2 PRO A 14 10.091 -6.149 10.114 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.524 -6.933 10.071 1.00 0.00 H new ATOM 116 N GLY A 15 10.819 -3.451 12.061 1.00 0.00 N ATOM 117 CA GLY A 15 10.529 -2.305 11.175 1.00 0.00 C ATOM 118 C GLY A 15 10.797 -0.881 11.652 1.00 0.00 C ATOM 119 O GLY A 15 11.109 -0.633 12.820 1.00 0.00 O ATOM 0 H GLY A 15 11.705 -3.933 11.907 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.100 -2.452 10.258 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.474 -2.363 10.906 1.00 0.00 H new ATOM 120 N SER A 16 10.666 0.052 10.690 1.00 0.00 N ATOM 121 CA SER A 16 10.898 1.507 10.927 1.00 0.00 C ATOM 122 C SER A 16 9.529 2.221 10.983 1.00 0.00 C ATOM 123 O SER A 16 8.789 1.944 11.934 1.00 0.00 O ATOM 124 CB SER A 16 11.943 2.005 9.910 1.00 0.00 C ATOM 125 OG SER A 16 12.296 3.363 10.157 1.00 0.00 O ATOM 0 H SER A 16 10.399 -0.169 9.731 1.00 0.00 H new ATOM 0 HA SER A 16 11.346 1.741 11.893 1.00 0.00 H new ATOM 0 HB2 SER A 16 12.834 1.379 9.964 1.00 0.00 H new ATOM 0 HB3 SER A 16 11.546 1.908 8.900 1.00 0.00 H new ATOM 0 HG SER A 16 12.962 3.653 9.499 1.00 0.00 H new ATOM 126 N HIS A 17 9.159 3.129 10.055 1.00 0.00 N ATOM 127 CA HIS A 17 7.801 3.682 9.976 1.00 0.00 C ATOM 128 C HIS A 17 7.054 2.797 8.904 1.00 0.00 C ATOM 129 O HIS A 17 7.693 2.443 7.908 1.00 0.00 O ATOM 130 CB HIS A 17 7.985 5.169 9.544 1.00 0.00 C ATOM 131 CG HIS A 17 6.670 5.911 9.659 1.00 0.00 C ATOM 132 ND1 HIS A 17 5.797 5.800 8.600 1.00 0.00 N flip ATOM 133 CD2 HIS A 17 6.075 6.523 10.756 1.00 0.00 C flip ATOM 134 CE1 HIS A 17 4.575 6.321 8.910 1.00 0.00 C flip ATOM 135 NE2 HIS A 17 4.831 6.730 10.197 1.00 0.00 N flip ATOM 0 H HIS A 17 9.794 3.494 9.345 1.00 0.00 H new ATOM 0 HA HIS A 17 7.219 3.665 10.898 1.00 0.00 H new ATOM 0 HB2 HIS A 17 8.737 5.647 10.171 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.349 5.215 8.518 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.463 6.761 11.735 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.674 6.391 8.319 1.00 0.00 H new ATOM 0 HE2 HIS A 17 4.099 7.188 10.740 1.00 0.00 H new ATOM 136 N PRO A 18 5.751 2.422 8.994 1.00 0.00 N ATOM 137 CA PRO A 18 5.060 1.617 7.927 1.00 0.00 C ATOM 138 C PRO A 18 5.076 2.219 6.505 1.00 0.00 C ATOM 139 O PRO A 18 5.339 1.460 5.577 1.00 0.00 O ATOM 140 CB PRO A 18 3.639 1.392 8.451 1.00 0.00 C ATOM 141 CG PRO A 18 3.441 2.509 9.488 1.00 0.00 C ATOM 142 CD PRO A 18 4.836 2.770 10.090 1.00 0.00 C ATOM 0 HA PRO A 18 5.608 0.688 7.771 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.903 1.457 7.649 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.532 0.406 8.902 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.041 3.409 9.022 1.00 0.00 H new ATOM 0 HG3 PRO A 18 2.732 2.207 10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.953 3.809 10.396 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.014 2.155 10.972 1.00 0.00 H new ATOM 143 N LEU A 19 4.856 3.540 6.319 1.00 0.00 N ATOM 144 CA LEU A 19 5.367 4.269 5.131 1.00 0.00 C ATOM 145 C LEU A 19 6.882 4.457 5.228 1.00 0.00 C ATOM 146 O LEU A 19 7.486 3.411 5.360 1.00 0.00 O ATOM 147 CB LEU A 19 4.584 5.582 4.938 1.00 0.00 C ATOM 148 CG LEU A 19 3.415 5.333 4.025 1.00 0.00 C ATOM 149 CD1 LEU A 19 2.547 6.599 3.995 1.00 0.00 C ATOM 150 CD2 LEU A 19 3.876 5.208 2.578 1.00 0.00 C ATOM 0 H LEU A 19 4.331 4.123 6.971 1.00 0.00 H new ATOM 0 HA LEU A 19 5.199 3.679 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.235 5.956 5.901 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.234 6.348 4.515 1.00 0.00 H new ATOM 0 HG LEU A 19 2.907 4.437 4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.693 6.439 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.193 6.822 5.002 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.138 7.437 3.625 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.014 5.028 1.936 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.370 6.130 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.574 4.376 2.489 1.00 0.00 H new ATOM 151 N MET A 20 7.370 5.707 5.224 1.00 0.00 N ATOM 152 CA MET A 20 8.754 6.273 5.175 1.00 0.00 C ATOM 153 C MET A 20 10.029 5.453 5.129 1.00 0.00 C ATOM 154 O MET A 20 10.985 5.755 4.408 1.00 0.00 O ATOM 155 CB MET A 20 8.674 7.304 6.318 1.00 0.00 C ATOM 156 CG MET A 20 7.956 8.585 5.837 1.00 0.00 C ATOM 157 SD MET A 20 7.969 9.872 7.088 1.00 0.00 S ATOM 158 CE MET A 20 7.097 8.895 8.315 1.00 0.00 C ATOM 0 H MET A 20 6.703 6.478 5.261 1.00 0.00 H new ATOM 0 HA MET A 20 8.941 6.615 4.157 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.139 6.876 7.166 1.00 0.00 H new ATOM 0 HB3 MET A 20 9.677 7.550 6.665 1.00 0.00 H new ATOM 0 HG2 MET A 20 8.439 8.954 4.932 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.926 8.346 5.573 1.00 0.00 H new ATOM 0 HE1 MET A 20 6.542 9.557 8.980 1.00 0.00 H new ATOM 0 HE2 MET A 20 6.404 8.218 7.816 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.815 8.316 8.896 1.00 0.00 H new ATOM 159 N ASP A 21 9.901 4.328 5.796 1.00 0.00 N ATOM 160 CA ASP A 21 10.323 3.038 5.130 1.00 0.00 C ATOM 161 C ASP A 21 9.844 2.762 3.619 1.00 0.00 C ATOM 162 O ASP A 21 10.394 1.843 3.013 1.00 0.00 O ATOM 163 CB ASP A 21 10.071 1.836 6.062 1.00 0.00 C ATOM 164 CG ASP A 21 10.949 0.609 5.808 1.00 0.00 C ATOM 165 OD1 ASP A 21 12.115 0.524 6.191 1.00 0.00 O ATOM 166 OD2 ASP A 21 10.288 -0.373 5.113 1.00 0.00 O ATOM 0 H ASP A 21 9.535 4.240 6.744 1.00 0.00 H new ATOM 0 HA ASP A 21 11.393 3.180 4.977 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.219 2.160 7.092 1.00 0.00 H new ATOM 0 HB3 ASP A 21 9.026 1.539 5.969 1.00 0.00 H new ATOM 167 N PHE A 22 8.890 3.527 3.030 1.00 0.00 N ATOM 168 CA PHE A 22 8.316 3.264 1.696 1.00 0.00 C ATOM 169 C PHE A 22 7.885 4.573 0.944 1.00 0.00 C ATOM 170 O PHE A 22 7.844 4.513 -0.284 1.00 0.00 O ATOM 171 CB PHE A 22 7.065 2.375 1.847 1.00 0.00 C ATOM 172 CG PHE A 22 7.319 0.926 2.265 1.00 0.00 C ATOM 173 CD1 PHE A 22 7.301 0.576 3.624 1.00 0.00 C ATOM 174 CD2 PHE A 22 7.367 -0.094 1.310 1.00 0.00 C ATOM 175 CE1 PHE A 22 7.055 -0.737 4.000 1.00 0.00 C ATOM 176 CE2 PHE A 22 7.280 -1.424 1.695 1.00 0.00 C ATOM 177 CZ PHE A 22 7.099 -1.737 3.039 1.00 0.00 C ATOM 0 H PHE A 22 8.496 4.354 3.479 1.00 0.00 H new ATOM 0 HA PHE A 22 9.096 2.777 1.111 1.00 0.00 H new ATOM 0 HB2 PHE A 22 6.404 2.834 2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.530 2.370 0.897 1.00 0.00 H new ATOM 0 HD1 PHE A 22 7.479 1.329 4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.473 0.155 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.832 -0.978 5.029 1.00 0.00 H new ATOM 0 HE2 PHE A 22 7.352 -2.210 0.958 1.00 0.00 H new ATOM 0 HZ PHE A 22 6.992 -2.769 3.337 1.00 0.00 H new ATOM 178 N ASN A 23 7.565 5.709 1.617 1.00 0.00 N ATOM 179 CA ASN A 23 7.259 7.023 0.943 1.00 0.00 C ATOM 180 C ASN A 23 8.206 7.412 -0.240 1.00 0.00 C ATOM 181 O ASN A 23 7.745 7.691 -1.349 1.00 0.00 O ATOM 182 CB ASN A 23 7.268 8.108 2.059 1.00 0.00 C ATOM 183 CG ASN A 23 6.996 9.560 1.660 1.00 0.00 C ATOM 184 OD1 ASN A 23 6.499 9.876 0.581 1.00 0.00 O ATOM 185 ND2 ASN A 23 7.332 10.492 2.535 1.00 0.00 N ATOM 0 H ASN A 23 7.509 5.753 2.635 1.00 0.00 H new ATOM 0 HA ASN A 23 6.288 6.934 0.456 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.526 7.824 2.805 1.00 0.00 H new ATOM 0 HB3 ASN A 23 8.242 8.074 2.548 1.00 0.00 H new ATOM 0 HD21 ASN A 23 7.179 11.476 2.316 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.744 10.227 3.430 1.00 0.00 H new ATOM 186 N ASN A 24 9.503 7.412 0.072 1.00 0.00 N ATOM 187 CA ASN A 24 10.595 7.634 -0.890 1.00 0.00 C ATOM 188 C ASN A 24 11.244 6.240 -1.067 1.00 0.00 C ATOM 189 O ASN A 24 11.997 5.783 -0.205 1.00 0.00 O ATOM 190 CB ASN A 24 11.619 8.642 -0.318 1.00 0.00 C ATOM 191 CG ASN A 24 11.219 10.117 -0.385 1.00 0.00 C ATOM 192 OD1 ASN A 24 10.057 10.491 -0.553 1.00 0.00 O ATOM 193 ND2 ASN A 24 12.189 11.000 -0.223 1.00 0.00 N ATOM 0 H ASN A 24 9.836 7.254 1.023 1.00 0.00 H new ATOM 0 HA ASN A 24 10.242 8.049 -1.834 1.00 0.00 H new ATOM 0 HB2 ASN A 24 11.809 8.385 0.724 1.00 0.00 H new ATOM 0 HB3 ASN A 24 12.560 8.517 -0.854 1.00 0.00 H new ATOM 0 HD21 ASN A 24 11.978 11.998 -0.237 1.00 0.00 H new ATOM 0 HD22 ASN A 24 13.149 10.684 -0.084 1.00 0.00 H new ATOM 194 N TYR A 25 10.886 5.545 -2.152 1.00 0.00 N ATOM 195 CA TYR A 25 11.363 4.158 -2.397 1.00 0.00 C ATOM 196 C TYR A 25 11.108 3.909 -3.895 1.00 0.00 C ATOM 197 O TYR A 25 9.974 3.677 -4.319 1.00 0.00 O ATOM 198 CB TYR A 25 10.601 3.168 -1.498 1.00 0.00 C ATOM 199 CG TYR A 25 11.376 1.935 -1.079 1.00 0.00 C ATOM 200 CD1 TYR A 25 11.470 0.838 -1.942 1.00 0.00 C ATOM 201 CD2 TYR A 25 11.850 1.815 0.235 1.00 0.00 C ATOM 202 CE1 TYR A 25 11.990 -0.367 -1.483 1.00 0.00 C ATOM 203 CE2 TYR A 25 12.335 0.596 0.702 1.00 0.00 C ATOM 204 CZ TYR A 25 12.376 -0.503 -0.147 1.00 0.00 C ATOM 205 OH TYR A 25 12.679 -1.728 0.359 1.00 0.00 O ATOM 0 H TYR A 25 10.270 5.909 -2.879 1.00 0.00 H new ATOM 0 HA TYR A 25 12.417 4.021 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.278 3.695 -0.600 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.700 2.849 -2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 25 11.138 0.927 -2.966 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.839 2.674 0.890 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.096 -1.201 -2.161 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.679 0.505 1.722 1.00 0.00 H new ATOM 0 HH TYR A 25 11.931 -2.051 0.903 1.00 0.00 H new ATOM 206 N GLY A 26 12.181 4.043 -4.674 1.00 0.00 N ATOM 207 CA GLY A 26 12.142 4.100 -6.144 1.00 0.00 C ATOM 208 C GLY A 26 11.377 5.333 -6.642 1.00 0.00 C ATOM 209 O GLY A 26 11.921 6.440 -6.692 1.00 0.00 O ATOM 0 H GLY A 26 13.126 4.117 -4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 26 13.159 4.120 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.670 3.197 -6.531 1.00 0.00 H new ATOM 210 N CYS A 27 10.094 5.084 -6.931 1.00 0.00 N ATOM 211 CA CYS A 27 9.114 6.131 -7.293 1.00 0.00 C ATOM 212 C CYS A 27 8.086 6.507 -6.190 1.00 0.00 C ATOM 213 O CYS A 27 7.851 7.699 -5.971 1.00 0.00 O ATOM 214 CB CYS A 27 8.343 5.741 -8.583 1.00 0.00 C ATOM 215 SG CYS A 27 9.391 4.858 -9.755 1.00 0.00 S ATOM 0 H CYS A 27 9.697 4.144 -6.922 1.00 0.00 H new ATOM 0 HA CYS A 27 9.728 7.019 -7.446 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.488 5.118 -8.320 1.00 0.00 H new ATOM 0 HB3 CYS A 27 7.948 6.641 -9.056 1.00 0.00 H new ATOM 216 N TYR A 28 7.467 5.503 -5.559 1.00 0.00 N ATOM 217 CA TYR A 28 6.237 5.685 -4.768 1.00 0.00 C ATOM 218 C TYR A 28 6.248 5.151 -3.314 1.00 0.00 C ATOM 219 O TYR A 28 5.637 5.765 -2.440 1.00 0.00 O ATOM 220 CB TYR A 28 4.976 4.943 -5.393 1.00 0.00 C ATOM 221 CG TYR A 28 4.977 4.477 -6.834 1.00 0.00 C ATOM 222 CD1 TYR A 28 5.600 3.269 -7.182 1.00 0.00 C ATOM 223 CD2 TYR A 28 4.327 5.215 -7.827 1.00 0.00 C ATOM 224 CE1 TYR A 28 5.572 2.819 -8.494 1.00 0.00 C ATOM 225 CE2 TYR A 28 4.320 4.772 -9.144 1.00 0.00 C ATOM 226 CZ TYR A 28 4.935 3.570 -9.474 1.00 0.00 C ATOM 227 OH TYR A 28 4.881 3.112 -10.742 1.00 0.00 O ATOM 0 H TYR A 28 7.802 4.540 -5.580 1.00 0.00 H new ATOM 0 HA TYR A 28 6.180 6.773 -4.779 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.783 4.066 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.122 5.610 -5.274 1.00 0.00 H new ATOM 0 HD1 TYR A 28 6.104 2.687 -6.425 1.00 0.00 H new ATOM 0 HD2 TYR A 28 3.826 6.136 -7.569 1.00 0.00 H new ATOM 0 HE1 TYR A 28 6.046 1.884 -8.754 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.837 5.361 -9.910 1.00 0.00 H new ATOM 0 HH TYR A 28 4.003 3.317 -11.127 1.00 0.00 H new ATOM 228 N CYS A 29 6.874 3.979 -3.118 1.00 0.00 N ATOM 229 CA CYS A 29 6.199 2.811 -2.516 1.00 0.00 C ATOM 230 C CYS A 29 4.779 2.887 -1.913 1.00 0.00 C ATOM 231 O CYS A 29 3.864 2.251 -2.446 1.00 0.00 O ATOM 232 CB CYS A 29 7.093 1.727 -1.922 1.00 0.00 C ATOM 233 SG CYS A 29 6.029 0.260 -1.849 1.00 0.00 S ATOM 0 H CYS A 29 7.849 3.812 -3.367 1.00 0.00 H new ATOM 0 HA CYS A 29 5.873 2.470 -3.498 1.00 0.00 H new ATOM 0 HB2 CYS A 29 7.971 1.551 -2.543 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.453 2.007 -0.932 1.00 0.00 H new ATOM 234 N GLY A 30 4.587 3.631 -0.829 1.00 0.00 N ATOM 235 CA GLY A 30 3.241 3.886 -0.306 1.00 0.00 C ATOM 236 C GLY A 30 2.769 5.341 -0.417 1.00 0.00 C ATOM 237 O GLY A 30 1.608 5.522 -0.798 1.00 0.00 O ATOM 0 H GLY A 30 5.338 4.068 -0.295 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.534 3.249 -0.837 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.212 3.589 0.742 1.00 0.00 H new ATOM 238 N LEU A 31 3.571 6.380 -0.030 1.00 0.00 N ATOM 239 CA LEU A 31 3.125 7.786 -0.131 1.00 0.00 C ATOM 240 C LEU A 31 3.773 8.385 -1.424 1.00 0.00 C ATOM 241 O LEU A 31 4.668 9.221 -1.558 1.00 0.00 O ATOM 242 CB LEU A 31 3.202 8.536 1.196 1.00 0.00 C ATOM 243 CG LEU A 31 3.206 10.059 1.099 1.00 0.00 C ATOM 244 CD1 LEU A 31 1.903 10.691 0.603 1.00 0.00 C ATOM 245 CD2 LEU A 31 3.623 10.707 2.425 1.00 0.00 C ATOM 0 H LEU A 31 4.512 6.263 0.347 1.00 0.00 H new ATOM 0 HA LEU A 31 2.052 7.894 -0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.356 8.232 1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 31 4.106 8.222 1.717 1.00 0.00 H new ATOM 0 HG LEU A 31 3.948 10.266 0.328 1.00 0.00 H new ATOM 0 HD11 LEU A 31 2.013 11.775 0.572 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.676 10.320 -0.397 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.090 10.429 1.280 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.614 11.792 2.318 1.00 0.00 H new ATOM 0 HD22 LEU A 31 2.924 10.414 3.209 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.627 10.377 2.692 1.00 0.00 H new ATOM 246 N GLY A 32 3.155 7.746 -2.376 1.00 0.00 N ATOM 247 CA GLY A 32 2.502 8.453 -3.452 1.00 0.00 C ATOM 248 C GLY A 32 3.000 8.179 -4.867 1.00 0.00 C ATOM 249 O GLY A 32 2.478 7.275 -5.523 1.00 0.00 O ATOM 0 H GLY A 32 3.087 6.730 -2.433 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.439 8.216 -3.416 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.597 9.522 -3.261 1.00 0.00 H new ATOM 250 N GLY A 33 3.960 8.989 -5.351 1.00 0.00 N ATOM 251 CA GLY A 33 4.674 8.753 -6.625 1.00 0.00 C ATOM 252 C GLY A 33 3.907 8.772 -7.955 1.00 0.00 C ATOM 253 O GLY A 33 2.696 9.008 -7.999 1.00 0.00 O ATOM 0 H GLY A 33 4.266 9.833 -4.867 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.463 9.501 -6.696 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.162 7.781 -6.547 1.00 0.00 H new ATOM 254 N SER A 34 4.654 8.487 -9.046 1.00 0.00 N ATOM 255 CA SER A 34 4.095 8.439 -10.419 1.00 0.00 C ATOM 256 C SER A 34 4.986 7.666 -11.438 1.00 0.00 C ATOM 257 O SER A 34 6.217 7.649 -11.337 1.00 0.00 O ATOM 258 CB SER A 34 3.806 9.876 -10.933 1.00 0.00 C ATOM 259 OG SER A 34 4.993 10.647 -11.103 1.00 0.00 O ATOM 0 H SER A 34 5.653 8.285 -9.002 1.00 0.00 H new ATOM 0 HA SER A 34 3.165 7.876 -10.347 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.276 9.818 -11.884 1.00 0.00 H new ATOM 0 HB3 SER A 34 3.145 10.383 -10.230 1.00 0.00 H new ATOM 0 HG SER A 34 4.759 11.541 -11.429 1.00 0.00 H new ATOM 260 N GLY A 35 4.310 7.059 -12.433 1.00 0.00 N ATOM 261 CA GLY A 35 4.960 6.394 -13.575 1.00 0.00 C ATOM 262 C GLY A 35 4.941 4.861 -13.494 1.00 0.00 C ATOM 263 O GLY A 35 3.878 4.239 -13.495 1.00 0.00 O ATOM 0 H GLY A 35 3.291 7.017 -12.465 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.465 6.706 -14.495 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.994 6.732 -13.639 1.00 0.00 H new ATOM 264 N THR A 36 6.150 4.296 -13.473 1.00 0.00 N ATOM 265 CA THR A 36 6.416 2.844 -13.364 1.00 0.00 C ATOM 266 C THR A 36 7.580 2.626 -12.307 1.00 0.00 C ATOM 267 O THR A 36 8.332 3.564 -12.024 1.00 0.00 O ATOM 268 CB THR A 36 6.675 2.117 -14.724 1.00 0.00 C ATOM 269 OG1 THR A 36 6.699 2.983 -15.862 1.00 0.00 O ATOM 270 CG2 THR A 36 5.598 1.045 -14.960 1.00 0.00 C ATOM 0 H THR A 36 7.006 4.848 -13.533 1.00 0.00 H new ATOM 0 HA THR A 36 5.503 2.363 -13.012 1.00 0.00 H new ATOM 0 HB THR A 36 7.669 1.680 -14.631 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.867 2.456 -16.671 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.786 0.543 -15.909 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.628 0.315 -14.151 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.615 1.516 -14.987 1.00 0.00 H new ATOM 271 N PRO A 37 7.753 1.432 -11.691 1.00 0.00 N ATOM 272 CA PRO A 37 8.638 1.231 -10.498 1.00 0.00 C ATOM 273 C PRO A 37 10.127 0.981 -10.815 1.00 0.00 C ATOM 274 O PRO A 37 10.623 1.312 -11.897 1.00 0.00 O ATOM 275 CB PRO A 37 7.939 -0.043 -9.930 1.00 0.00 C ATOM 276 CG PRO A 37 7.668 -0.880 -11.174 1.00 0.00 C ATOM 277 CD PRO A 37 7.122 0.171 -12.129 1.00 0.00 C ATOM 0 HA PRO A 37 8.713 2.099 -9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 37 8.578 -0.570 -9.222 1.00 0.00 H new ATOM 0 HB3 PRO A 37 7.017 0.205 -9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 37 8.573 -1.352 -11.557 1.00 0.00 H new ATOM 0 HG3 PRO A 37 6.948 -1.676 -10.985 1.00 0.00 H new ATOM 0 HD2 PRO A 37 7.376 -0.062 -13.163 1.00 0.00 H new ATOM 0 HD3 PRO A 37 6.035 0.231 -12.074 1.00 0.00 H new ATOM 278 N VAL A 38 10.806 0.358 -9.837 1.00 0.00 N ATOM 279 CA VAL A 38 12.221 -0.035 -9.927 1.00 0.00 C ATOM 280 C VAL A 38 12.421 -1.532 -9.473 1.00 0.00 C ATOM 281 O VAL A 38 12.906 -2.383 -10.219 1.00 0.00 O ATOM 282 CB VAL A 38 13.148 0.995 -9.181 1.00 0.00 C ATOM 283 CG1 VAL A 38 12.711 2.472 -9.334 1.00 0.00 C ATOM 284 CG2 VAL A 38 13.321 0.845 -7.646 1.00 0.00 C ATOM 0 H VAL A 38 10.378 0.109 -8.945 1.00 0.00 H new ATOM 0 HA VAL A 38 12.533 0.000 -10.971 1.00 0.00 H new ATOM 0 HB VAL A 38 14.079 0.746 -9.691 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.403 3.114 -8.790 1.00 0.00 H new ATOM 0 HG12 VAL A 38 12.716 2.745 -10.389 1.00 0.00 H new ATOM 0 HG13 VAL A 38 11.706 2.598 -8.931 1.00 0.00 H new ATOM 0 HG21 VAL A 38 13.987 1.625 -7.277 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.350 0.936 -7.160 1.00 0.00 H new ATOM 0 HG23 VAL A 38 13.748 -0.132 -7.422 1.00 0.00 H new ATOM 285 N ASP A 39 12.010 -1.744 -8.225 1.00 0.00 N ATOM 286 CA ASP A 39 12.091 -3.017 -7.467 1.00 0.00 C ATOM 287 C ASP A 39 10.953 -3.977 -7.812 1.00 0.00 C ATOM 288 O ASP A 39 9.892 -3.545 -8.277 1.00 0.00 O ATOM 289 CB ASP A 39 12.189 -2.602 -5.976 1.00 0.00 C ATOM 290 CG ASP A 39 12.785 -3.602 -4.990 1.00 0.00 C ATOM 291 OD1 ASP A 39 13.092 -4.764 -5.252 1.00 0.00 O ATOM 292 OD2 ASP A 39 12.942 -3.034 -3.754 1.00 0.00 O ATOM 0 H ASP A 39 11.586 -0.998 -7.673 1.00 0.00 H new ATOM 0 HA ASP A 39 12.967 -3.609 -7.734 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.780 -1.688 -5.922 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.185 -2.353 -5.632 1.00 0.00 H new ATOM 293 N GLU A 40 11.151 -5.303 -7.544 1.00 0.00 N ATOM 294 CA GLU A 40 9.993 -6.215 -7.374 1.00 0.00 C ATOM 295 C GLU A 40 8.979 -5.649 -6.324 1.00 0.00 C ATOM 296 O GLU A 40 7.768 -5.642 -6.543 1.00 0.00 O ATOM 297 CB GLU A 40 10.264 -7.643 -6.838 1.00 0.00 C ATOM 298 CG GLU A 40 9.155 -8.583 -7.330 1.00 0.00 C ATOM 299 CD GLU A 40 9.401 -9.228 -8.678 1.00 0.00 C ATOM 300 OE1 GLU A 40 10.110 -10.222 -8.832 1.00 0.00 O ATOM 301 OE2 GLU A 40 8.745 -8.580 -9.692 1.00 0.00 O ATOM 0 H GLU A 40 12.065 -5.744 -7.445 1.00 0.00 H new ATOM 0 HA GLU A 40 9.642 -6.277 -8.404 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.236 -7.996 -7.182 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.295 -7.636 -5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.015 -9.370 -6.590 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.222 -8.022 -7.380 1.00 0.00 H new ATOM 302 N LEU A 41 9.534 -5.191 -5.200 1.00 0.00 N ATOM 303 CA LEU A 41 8.789 -4.505 -4.173 1.00 0.00 C ATOM 304 C LEU A 41 8.031 -3.253 -4.615 1.00 0.00 C ATOM 305 O LEU A 41 6.854 -3.110 -4.273 1.00 0.00 O ATOM 306 CB LEU A 41 9.803 -4.484 -3.035 1.00 0.00 C ATOM 307 CG LEU A 41 9.371 -4.154 -1.626 1.00 0.00 C ATOM 308 CD1 LEU A 41 9.785 -2.809 -1.099 1.00 0.00 C ATOM 309 CD2 LEU A 41 7.934 -4.542 -1.415 1.00 0.00 C ATOM 0 H LEU A 41 10.526 -5.293 -4.986 1.00 0.00 H new ATOM 0 HA LEU A 41 7.871 -4.983 -3.832 1.00 0.00 H new ATOM 0 HB2 LEU A 41 10.272 -5.467 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 41 10.579 -3.769 -3.309 1.00 0.00 H new ATOM 0 HG LEU A 41 9.964 -4.783 -0.962 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.417 -2.688 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.873 -2.736 -1.103 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.366 -2.026 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.637 -4.298 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.303 -3.997 -2.117 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.818 -5.613 -1.580 1.00 0.00 H new ATOM 310 N ASP A 42 8.652 -2.423 -5.470 1.00 0.00 N ATOM 311 CA ASP A 42 7.963 -1.339 -6.190 1.00 0.00 C ATOM 312 C ASP A 42 6.889 -1.743 -7.240 1.00 0.00 C ATOM 313 O ASP A 42 6.058 -0.896 -7.556 1.00 0.00 O ATOM 314 CB ASP A 42 8.960 -0.301 -6.726 1.00 0.00 C ATOM 315 CG ASP A 42 9.617 0.546 -5.645 1.00 0.00 C ATOM 316 OD1 ASP A 42 8.726 1.417 -5.074 1.00 0.00 O ATOM 317 OD2 ASP A 42 10.797 0.441 -5.319 1.00 0.00 O ATOM 0 H ASP A 42 9.648 -2.485 -5.682 1.00 0.00 H new ATOM 0 HA ASP A 42 7.348 -0.877 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 42 9.737 -0.817 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 42 8.443 0.357 -7.424 1.00 0.00 H new ATOM 318 N ARG A 43 6.851 -2.982 -7.746 1.00 0.00 N ATOM 319 CA ARG A 43 5.761 -3.465 -8.634 1.00 0.00 C ATOM 320 C ARG A 43 4.369 -3.558 -7.913 1.00 0.00 C ATOM 321 O ARG A 43 3.383 -3.098 -8.491 1.00 0.00 O ATOM 322 CB ARG A 43 6.020 -4.928 -9.077 1.00 0.00 C ATOM 323 CG ARG A 43 7.318 -5.240 -9.777 1.00 0.00 C ATOM 324 CD ARG A 43 7.707 -4.417 -10.983 1.00 0.00 C ATOM 325 NE ARG A 43 6.554 -4.063 -11.829 1.00 0.00 N ATOM 326 CZ ARG A 43 6.639 -3.623 -13.097 1.00 0.00 C ATOM 327 NH1 ARG A 43 7.784 -3.459 -13.755 1.00 0.00 N ATOM 328 NH2 ARG A 43 5.517 -3.327 -13.724 1.00 0.00 N ATOM 0 H ARG A 43 7.567 -3.683 -7.558 1.00 0.00 H new ATOM 0 HA ARG A 43 5.746 -2.745 -9.452 1.00 0.00 H new ATOM 0 HB2 ARG A 43 5.959 -5.560 -8.191 1.00 0.00 H new ATOM 0 HB3 ARG A 43 5.205 -5.225 -9.737 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.119 -5.151 -9.043 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.284 -6.285 -10.086 1.00 0.00 H new ATOM 0 HD2 ARG A 43 8.201 -3.504 -10.650 1.00 0.00 H new ATOM 0 HD3 ARG A 43 8.431 -4.973 -11.578 1.00 0.00 H new ATOM 0 HE ARG A 43 5.623 -4.159 -11.423 1.00 0.00 H new ATOM 0 HH11 ARG A 43 8.670 -3.672 -13.297 1.00 0.00 H new ATOM 0 HH12 ARG A 43 7.775 -3.121 -14.717 1.00 0.00 H new ATOM 0 HH21 ARG A 43 4.622 -3.435 -13.246 1.00 0.00 H new ATOM 0 HH22 ARG A 43 5.544 -2.990 -14.687 1.00 0.00 H new ATOM 329 N CYS A 44 4.295 -4.164 -6.690 1.00 0.00 N ATOM 330 CA CYS A 44 3.080 -4.077 -5.853 1.00 0.00 C ATOM 331 C CYS A 44 2.753 -2.627 -5.353 1.00 0.00 C ATOM 332 O CYS A 44 1.631 -2.423 -4.913 1.00 0.00 O ATOM 333 CB CYS A 44 3.192 -4.960 -4.607 1.00 0.00 C ATOM 334 SG CYS A 44 3.711 -6.645 -4.913 1.00 0.00 S ATOM 0 H CYS A 44 5.053 -4.706 -6.277 1.00 0.00 H new ATOM 0 HA CYS A 44 2.280 -4.414 -6.513 1.00 0.00 H new ATOM 0 HB2 CYS A 44 3.898 -4.499 -3.916 1.00 0.00 H new ATOM 0 HB3 CYS A 44 2.224 -4.980 -4.107 1.00 0.00 H new ATOM 335 N CYS A 45 3.719 -1.694 -5.405 1.00 0.00 N ATOM 336 CA CYS A 45 3.502 -0.258 -5.262 1.00 0.00 C ATOM 337 C CYS A 45 2.975 0.430 -6.568 1.00 0.00 C ATOM 338 O CYS A 45 2.223 1.396 -6.415 1.00 0.00 O ATOM 339 CB CYS A 45 4.813 0.431 -4.865 1.00 0.00 C ATOM 340 SG CYS A 45 5.823 -0.506 -3.687 1.00 0.00 S ATOM 0 H CYS A 45 4.699 -1.933 -5.552 1.00 0.00 H new ATOM 0 HA CYS A 45 2.738 -0.148 -4.492 1.00 0.00 H new ATOM 0 HB2 CYS A 45 5.401 0.613 -5.765 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.582 1.405 -4.433 1.00 0.00 H new ATOM 341 N GLU A 46 3.335 -0.007 -7.818 1.00 0.00 N ATOM 342 CA GLU A 46 2.636 0.482 -9.049 1.00 0.00 C ATOM 343 C GLU A 46 1.133 0.074 -9.064 1.00 0.00 C ATOM 344 O GLU A 46 0.307 0.863 -9.515 1.00 0.00 O ATOM 345 CB GLU A 46 3.441 -0.027 -10.265 1.00 0.00 C ATOM 346 CG GLU A 46 2.849 0.137 -11.669 1.00 0.00 C ATOM 347 CD GLU A 46 2.561 1.543 -12.166 1.00 0.00 C ATOM 348 OE1 GLU A 46 2.232 2.486 -11.446 1.00 0.00 O ATOM 349 OE2 GLU A 46 2.651 1.623 -13.530 1.00 0.00 O ATOM 0 H GLU A 46 4.083 -0.677 -7.995 1.00 0.00 H new ATOM 0 HA GLU A 46 2.609 1.571 -9.079 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.407 0.477 -10.254 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.634 -1.089 -10.111 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.533 -0.333 -12.376 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.917 -0.427 -11.705 1.00 0.00 H new ATOM 350 N THR A 47 0.823 -1.127 -8.558 1.00 0.00 N ATOM 351 CA THR A 47 -0.546 -1.605 -8.292 1.00 0.00 C ATOM 352 C THR A 47 -1.116 -1.183 -6.899 1.00 0.00 C ATOM 353 O THR A 47 -2.334 -1.261 -6.761 1.00 0.00 O ATOM 354 CB THR A 47 -0.447 -3.149 -8.478 1.00 0.00 C ATOM 355 OG1 THR A 47 -0.211 -3.447 -9.855 1.00 0.00 O ATOM 356 CG2 THR A 47 -1.669 -3.959 -8.062 1.00 0.00 C ATOM 0 H THR A 47 1.536 -1.815 -8.314 1.00 0.00 H new ATOM 0 HA THR A 47 -1.267 -1.149 -8.971 1.00 0.00 H new ATOM 0 HB THR A 47 0.367 -3.440 -7.814 1.00 0.00 H new ATOM 0 HG1 THR A 47 -0.147 -4.418 -9.973 1.00 0.00 H new ATOM 0 HG21 THR A 47 -1.481 -5.018 -8.238 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.869 -3.797 -7.003 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.532 -3.642 -8.647 1.00 0.00 H new ATOM 357 N HIS A 48 -0.341 -0.727 -5.891 1.00 0.00 N ATOM 358 CA HIS A 48 -0.931 -0.001 -4.715 1.00 0.00 C ATOM 359 C HIS A 48 -0.945 1.529 -5.073 1.00 0.00 C ATOM 360 O HIS A 48 -0.216 2.365 -4.540 1.00 0.00 O ATOM 361 CB HIS A 48 -0.246 -0.348 -3.374 1.00 0.00 C ATOM 362 CG HIS A 48 -1.275 -0.314 -2.217 1.00 0.00 C ATOM 363 ND1 HIS A 48 -1.316 0.682 -1.241 1.00 0.00 N ATOM 364 CD2 HIS A 48 -2.360 -1.205 -2.044 1.00 0.00 C ATOM 365 CE1 HIS A 48 -2.434 0.283 -0.578 1.00 0.00 C ATOM 366 NE2 HIS A 48 -3.194 -0.721 -1.078 1.00 0.00 N ATOM 0 H HIS A 48 0.672 -0.838 -5.854 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.955 -0.330 -4.538 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.209 -1.337 -3.436 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.558 0.361 -3.175 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -2.506 -2.125 -2.591 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -2.716 0.766 0.346 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -4.128 -1.029 -0.808 1.00 0.00 H new ATOM 367 N ASP A 49 -1.830 1.774 -6.042 1.00 0.00 N ATOM 368 CA ASP A 49 -1.955 2.952 -6.896 1.00 0.00 C ATOM 369 C ASP A 49 -2.910 2.415 -8.044 1.00 0.00 C ATOM 370 O ASP A 49 -3.950 3.037 -8.222 1.00 0.00 O ATOM 371 CB ASP A 49 -0.652 3.400 -7.571 1.00 0.00 C ATOM 372 CG ASP A 49 0.170 4.449 -6.853 1.00 0.00 C ATOM 373 OD1 ASP A 49 -0.311 5.406 -6.244 1.00 0.00 O ATOM 374 OD2 ASP A 49 1.512 4.214 -6.978 1.00 0.00 O ATOM 0 H ASP A 49 -2.546 1.083 -6.268 1.00 0.00 H new ATOM 0 HA ASP A 49 -2.290 3.810 -6.314 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.026 2.520 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -0.898 3.782 -8.562 1.00 0.00 H new ATOM 375 N ASN A 50 -2.567 1.320 -8.797 1.00 0.00 N ATOM 376 CA ASN A 50 -3.405 0.807 -9.909 1.00 0.00 C ATOM 377 C ASN A 50 -4.589 -0.131 -9.567 1.00 0.00 C ATOM 378 O ASN A 50 -5.579 -0.122 -10.304 1.00 0.00 O ATOM 379 CB ASN A 50 -2.636 0.364 -11.169 1.00 0.00 C ATOM 380 CG ASN A 50 -1.843 1.483 -11.861 1.00 0.00 C ATOM 381 OD1 ASN A 50 -2.250 2.643 -11.924 1.00 0.00 O ATOM 382 ND2 ASN A 50 -0.690 1.156 -12.401 1.00 0.00 N ATOM 0 H ASN A 50 -1.713 0.783 -8.645 1.00 0.00 H new ATOM 0 HA ASN A 50 -3.913 1.736 -10.168 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -1.948 -0.436 -10.896 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -3.345 -0.056 -11.883 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.129 1.865 -12.874 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.356 0.194 -12.347 1.00 0.00 H new ATOM 383 N CYS A 51 -4.511 -0.931 -8.503 1.00 0.00 N ATOM 384 CA CYS A 51 -5.728 -1.365 -7.779 1.00 0.00 C ATOM 385 C CYS A 51 -6.090 -0.429 -6.588 1.00 0.00 C ATOM 386 O CYS A 51 -7.133 -0.703 -5.982 1.00 0.00 O ATOM 387 CB CYS A 51 -5.628 -2.830 -7.302 1.00 0.00 C ATOM 388 SG CYS A 51 -4.476 -3.144 -5.943 1.00 0.00 S ATOM 0 H CYS A 51 -3.637 -1.292 -8.120 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.539 -1.297 -8.504 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -6.620 -3.160 -6.994 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -5.335 -3.448 -8.150 1.00 0.00 H new ATOM 389 N TYR A 52 -5.299 0.644 -6.229 1.00 0.00 N ATOM 390 CA TYR A 52 -5.663 1.450 -5.015 1.00 0.00 C ATOM 391 C TYR A 52 -6.731 2.500 -5.338 1.00 0.00 C ATOM 392 O TYR A 52 -7.676 2.691 -4.566 1.00 0.00 O ATOM 393 CB TYR A 52 -4.505 2.129 -4.248 1.00 0.00 C ATOM 394 CG TYR A 52 -4.695 2.439 -2.754 1.00 0.00 C ATOM 395 CD1 TYR A 52 -5.770 1.900 -2.047 1.00 0.00 C ATOM 396 CD2 TYR A 52 -3.712 3.153 -2.031 1.00 0.00 C ATOM 397 CE1 TYR A 52 -5.796 1.940 -0.671 1.00 0.00 C ATOM 398 CE2 TYR A 52 -3.797 3.261 -0.634 1.00 0.00 C ATOM 399 CZ TYR A 52 -4.829 2.615 0.040 1.00 0.00 C ATOM 400 OH TYR A 52 -4.861 2.548 1.391 1.00 0.00 O ATOM 0 H TYR A 52 -4.463 0.951 -6.727 1.00 0.00 H new ATOM 0 HA TYR A 52 -6.045 0.687 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -3.625 1.493 -4.345 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -4.277 3.067 -4.755 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -6.590 1.447 -2.584 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.891 3.618 -2.557 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -6.588 1.433 -0.140 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.068 3.840 -0.087 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.718 1.621 1.676 1.00 0.00 H new ATOM 401 N ARG A 53 -6.550 3.164 -6.481 1.00 0.00 N ATOM 402 CA ARG A 53 -7.522 4.042 -7.080 1.00 0.00 C ATOM 403 C ARG A 53 -8.979 3.563 -7.102 1.00 0.00 C ATOM 404 O ARG A 53 -9.852 4.309 -6.670 1.00 0.00 O ATOM 405 CB ARG A 53 -6.850 4.517 -8.382 1.00 0.00 C ATOM 406 CG ARG A 53 -7.416 3.866 -9.604 1.00 0.00 C ATOM 407 CD ARG A 53 -6.756 2.605 -10.034 1.00 0.00 C ATOM 408 NE ARG A 53 -5.820 2.944 -11.123 1.00 0.00 N ATOM 409 CZ ARG A 53 -5.995 2.626 -12.421 1.00 0.00 C ATOM 410 NH1 ARG A 53 -7.040 1.949 -12.892 1.00 0.00 N ATOM 411 NH2 ARG A 53 -5.078 3.014 -13.284 1.00 0.00 N ATOM 0 H ARG A 53 -5.689 3.094 -7.023 1.00 0.00 H new ATOM 0 HA ARG A 53 -7.749 4.906 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.962 5.598 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.781 4.310 -8.329 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.471 3.658 -9.426 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.366 4.578 -10.428 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.224 2.147 -9.200 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.496 1.882 -10.376 1.00 0.00 H new ATOM 0 HE ARG A 53 -4.975 3.459 -10.874 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -7.774 1.636 -12.256 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -7.107 1.743 -13.889 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.265 3.539 -12.963 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.181 2.789 -14.274 1.00 0.00 H new ATOM 412 N ASP A 54 -9.198 2.342 -7.636 1.00 0.00 N ATOM 413 CA ASP A 54 -10.522 1.956 -8.228 1.00 0.00 C ATOM 414 C ASP A 54 -11.740 1.750 -7.285 1.00 0.00 C ATOM 415 O ASP A 54 -12.872 1.538 -7.705 1.00 0.00 O ATOM 416 CB ASP A 54 -10.229 0.745 -9.118 1.00 0.00 C ATOM 417 CG ASP A 54 -11.283 0.381 -10.152 1.00 0.00 C ATOM 418 OD1 ASP A 54 -11.157 1.119 -11.301 1.00 0.00 O ATOM 419 OD2 ASP A 54 -12.150 -0.472 -9.968 1.00 0.00 O ATOM 0 H ASP A 54 -8.492 1.607 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 54 -10.898 2.821 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -9.290 0.927 -9.640 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.073 -0.120 -8.473 1.00 0.00 H new ATOM 420 N ALA A 55 -11.406 1.835 -6.007 1.00 0.00 N ATOM 421 CA ALA A 55 -12.280 2.154 -4.878 1.00 0.00 C ATOM 422 C ALA A 55 -13.192 3.392 -5.072 1.00 0.00 C ATOM 423 O ALA A 55 -14.350 3.381 -4.660 1.00 0.00 O ATOM 424 CB ALA A 55 -11.281 2.488 -3.740 1.00 0.00 C ATOM 0 H ALA A 55 -10.446 1.671 -5.704 1.00 0.00 H new ATOM 0 HA ALA A 55 -12.963 1.322 -4.708 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.832 2.745 -2.835 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -10.648 1.622 -3.546 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -10.659 3.332 -4.038 1.00 0.00 H new ATOM 425 N LYS A 56 -12.636 4.435 -5.703 1.00 0.00 N ATOM 426 CA LYS A 56 -13.349 5.587 -6.223 1.00 0.00 C ATOM 427 C LYS A 56 -14.503 5.300 -7.225 1.00 0.00 C ATOM 428 O LYS A 56 -15.564 5.923 -7.177 1.00 0.00 O ATOM 429 CB LYS A 56 -12.214 6.559 -6.595 1.00 0.00 C ATOM 430 CG LYS A 56 -12.027 6.758 -8.062 1.00 0.00 C ATOM 431 CD LYS A 56 -11.551 5.635 -8.930 1.00 0.00 C ATOM 432 CE LYS A 56 -10.231 5.823 -9.657 1.00 0.00 C ATOM 433 NZ LYS A 56 -10.228 6.923 -10.641 1.00 0.00 N ATOM 0 H LYS A 56 -11.631 4.492 -5.867 1.00 0.00 H new ATOM 0 HA LYS A 56 -14.014 6.062 -5.502 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -12.414 7.526 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.281 6.189 -6.169 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -12.983 7.092 -8.465 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -11.323 7.581 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.470 4.742 -8.310 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -12.321 5.437 -9.676 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.448 6.008 -8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.976 4.894 -10.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -9.292 6.983 -11.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -10.950 6.742 -11.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.439 7.820 -10.159 1.00 0.00 H new ATOM 434 N ASN A 57 -14.205 4.361 -8.127 1.00 0.00 N ATOM 435 CA ASN A 57 -15.097 3.912 -9.228 1.00 0.00 C ATOM 436 C ASN A 57 -16.174 2.880 -8.815 1.00 0.00 C ATOM 437 O ASN A 57 -17.300 2.959 -9.304 1.00 0.00 O ATOM 438 CB ASN A 57 -14.163 3.353 -10.335 1.00 0.00 C ATOM 439 CG ASN A 57 -14.808 2.807 -11.603 1.00 0.00 C ATOM 440 OD1 ASN A 57 -15.784 3.349 -12.123 1.00 0.00 O ATOM 441 ND2 ASN A 57 -14.254 1.747 -12.155 1.00 0.00 N ATOM 0 H ASN A 57 -13.311 3.870 -8.121 1.00 0.00 H new ATOM 0 HA ASN A 57 -15.689 4.760 -9.573 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -13.475 4.147 -10.625 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -13.563 2.556 -9.895 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.633 1.367 -13.022 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.446 1.307 -11.715 1.00 0.00 H new ATOM 442 N LEU A 58 -15.743 1.925 -7.994 1.00 0.00 N ATOM 443 CA LEU A 58 -16.485 0.788 -7.423 1.00 0.00 C ATOM 444 C LEU A 58 -17.985 0.606 -7.601 1.00 0.00 C ATOM 445 O LEU A 58 -18.801 1.530 -7.586 1.00 0.00 O ATOM 446 CB LEU A 58 -15.970 0.735 -5.980 1.00 0.00 C ATOM 447 CG LEU A 58 -15.980 -0.523 -5.131 1.00 0.00 C ATOM 448 CD1 LEU A 58 -15.248 -1.618 -5.854 1.00 0.00 C ATOM 449 CD2 LEU A 58 -15.258 -0.203 -3.810 1.00 0.00 C ATOM 0 H LEU A 58 -14.773 1.922 -7.678 1.00 0.00 H new ATOM 0 HA LEU A 58 -16.278 -0.086 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -14.935 1.075 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -16.535 1.484 -5.425 1.00 0.00 H new ATOM 0 HG LEU A 58 -17.002 -0.850 -4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -15.254 -2.523 -5.246 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -15.740 -1.817 -6.806 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -14.218 -1.309 -6.035 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -15.249 -1.090 -3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -14.233 0.104 -4.020 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -15.780 0.604 -3.296 1.00 0.00 H new ATOM 450 N ASP A 59 -18.303 -0.692 -7.684 1.00 0.00 N ATOM 451 CA ASP A 59 -19.685 -1.210 -7.599 1.00 0.00 C ATOM 452 C ASP A 59 -20.417 -0.840 -6.262 1.00 0.00 C ATOM 453 O ASP A 59 -21.648 -0.800 -6.211 1.00 0.00 O ATOM 454 CB ASP A 59 -19.469 -2.760 -7.521 1.00 0.00 C ATOM 455 CG ASP A 59 -19.266 -3.453 -8.860 1.00 0.00 C ATOM 456 OD1 ASP A 59 -20.195 -3.799 -9.590 1.00 0.00 O ATOM 457 OD2 ASP A 59 -17.939 -3.644 -9.151 1.00 0.00 O ATOM 0 H ASP A 59 -17.605 -1.424 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 59 -20.277 -0.816 -8.425 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -18.601 -2.959 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -20.331 -3.207 -7.026 1.00 0.00 H new ATOM 458 N SER A 60 -19.606 -0.666 -5.216 1.00 0.00 N ATOM 459 CA SER A 60 -20.038 -0.437 -3.842 1.00 0.00 C ATOM 460 C SER A 60 -19.658 0.996 -3.442 1.00 0.00 C ATOM 461 O SER A 60 -20.387 1.574 -2.631 1.00 0.00 O ATOM 462 CB SER A 60 -19.277 -1.501 -3.033 1.00 0.00 C ATOM 463 OG SER A 60 -19.888 -1.725 -1.775 1.00 0.00 O ATOM 0 H SER A 60 -18.591 -0.682 -5.311 1.00 0.00 H new ATOM 0 HA SER A 60 -21.112 -0.524 -3.681 1.00 0.00 H new ATOM 0 HB2 SER A 60 -19.245 -2.434 -3.595 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.245 -1.181 -2.887 1.00 0.00 H new ATOM 0 HG SER A 60 -19.196 -1.836 -1.090 1.00 0.00 H new ATOM 464 N CYS A 61 -18.544 1.561 -4.002 1.00 0.00 N ATOM 465 CA CYS A 61 -18.178 2.954 -3.705 1.00 0.00 C ATOM 466 C CYS A 61 -18.053 3.816 -4.984 1.00 0.00 C ATOM 467 O CYS A 61 -17.007 3.849 -5.635 1.00 0.00 O ATOM 468 CB CYS A 61 -16.919 2.939 -2.838 1.00 0.00 C ATOM 469 SG CYS A 61 -17.373 2.886 -1.093 1.00 0.00 S ATOM 0 H CYS A 61 -17.911 1.078 -4.640 1.00 0.00 H new ATOM 0 HA CYS A 61 -18.976 3.441 -3.144 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -16.305 2.074 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -16.318 3.826 -3.039 1.00 0.00 H new ATOM 528 N TYR A 69 -5.978 6.685 -1.524 1.00 0.00 N ATOM 529 CA TYR A 69 -6.020 6.258 -0.114 1.00 0.00 C ATOM 530 C TYR A 69 -7.424 6.703 0.404 1.00 0.00 C ATOM 531 O TYR A 69 -7.772 7.878 0.245 1.00 0.00 O ATOM 532 CB TYR A 69 -4.978 6.957 0.830 1.00 0.00 C ATOM 533 CG TYR A 69 -3.466 7.154 0.416 1.00 0.00 C ATOM 534 CD1 TYR A 69 -2.870 6.579 -0.729 1.00 0.00 C ATOM 535 CD2 TYR A 69 -2.682 8.102 1.105 1.00 0.00 C ATOM 536 CE1 TYR A 69 -1.667 7.057 -1.260 1.00 0.00 C ATOM 537 CE2 TYR A 69 -1.477 8.588 0.571 1.00 0.00 C ATOM 538 CZ TYR A 69 -1.006 8.097 -0.637 1.00 0.00 C ATOM 539 OH TYR A 69 0.060 8.671 -1.254 1.00 0.00 O ATOM 0 HA TYR A 69 -5.803 5.190 -0.089 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -5.373 7.948 1.054 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -4.976 6.396 1.765 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.359 5.744 -1.209 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -3.016 8.463 2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -1.256 6.614 -2.155 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.917 9.344 1.102 1.00 0.00 H new ATOM 0 HH TYR A 69 -0.122 9.622 -1.403 1.00 0.00 H new ATOM 540 N THR A 70 -8.167 5.772 1.004 1.00 0.00 N ATOM 541 CA THR A 70 -9.346 6.036 1.837 1.00 0.00 C ATOM 542 C THR A 70 -10.542 5.139 1.409 1.00 0.00 C ATOM 543 O THR A 70 -11.319 5.566 0.552 1.00 0.00 O ATOM 544 CB THR A 70 -9.915 7.476 2.129 1.00 0.00 C ATOM 545 OG1 THR A 70 -10.340 8.150 0.942 1.00 0.00 O ATOM 546 CG2 THR A 70 -8.998 8.391 2.928 1.00 0.00 C ATOM 0 H THR A 70 -7.959 4.777 0.922 1.00 0.00 H new ATOM 0 HA THR A 70 -8.872 5.808 2.791 1.00 0.00 H new ATOM 0 HB THR A 70 -10.777 7.271 2.764 1.00 0.00 H new ATOM 0 HG1 THR A 70 -9.576 8.262 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.484 9.356 3.074 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.789 7.940 3.898 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.063 8.533 2.385 1.00 0.00 H new ATOM 547 N GLU A 71 -10.729 3.951 2.010 1.00 0.00 N ATOM 548 CA GLU A 71 -12.068 3.316 2.084 1.00 0.00 C ATOM 549 C GLU A 71 -12.254 2.663 3.477 1.00 0.00 C ATOM 550 O GLU A 71 -12.774 3.343 4.369 1.00 0.00 O ATOM 551 CB GLU A 71 -12.604 2.456 0.913 1.00 0.00 C ATOM 552 CG GLU A 71 -13.086 3.241 -0.318 1.00 0.00 C ATOM 553 CD GLU A 71 -14.240 4.240 -0.184 1.00 0.00 C ATOM 554 OE1 GLU A 71 -14.923 4.153 1.005 1.00 0.00 O ATOM 555 OE2 GLU A 71 -14.541 5.016 -1.088 1.00 0.00 O ATOM 0 H GLU A 71 -9.983 3.412 2.449 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.740 4.162 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -11.817 1.770 0.599 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.430 1.847 1.281 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -12.228 3.787 -0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -13.374 2.512 -1.075 1.00 0.00 H new ATOM 556 N SER A 72 -11.877 1.378 3.671 1.00 0.00 N ATOM 557 CA SER A 72 -12.311 0.613 4.882 1.00 0.00 C ATOM 558 C SER A 72 -11.435 -0.632 5.257 1.00 0.00 C ATOM 559 O SER A 72 -10.598 -1.096 4.481 1.00 0.00 O ATOM 560 CB SER A 72 -13.816 0.288 4.708 1.00 0.00 C ATOM 561 OG SER A 72 -14.632 1.282 5.321 1.00 0.00 O ATOM 0 H SER A 72 -11.287 0.852 3.026 1.00 0.00 H new ATOM 0 HA SER A 72 -12.154 1.245 5.756 1.00 0.00 H new ATOM 0 HB2 SER A 72 -14.056 0.221 3.647 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.033 -0.686 5.146 1.00 0.00 H new ATOM 0 HG SER A 72 -14.240 2.167 5.168 1.00 0.00 H new ATOM 562 N TYR A 73 -11.643 -1.109 6.506 1.00 0.00 N ATOM 563 CA TYR A 73 -10.759 -1.973 7.295 1.00 0.00 C ATOM 564 C TYR A 73 -11.450 -2.144 8.722 1.00 0.00 C ATOM 565 O TYR A 73 -12.121 -1.259 9.262 1.00 0.00 O ATOM 566 CB TYR A 73 -9.446 -1.196 7.654 1.00 0.00 C ATOM 567 CG TYR A 73 -8.260 -1.763 6.934 1.00 0.00 C ATOM 568 CD1 TYR A 73 -7.717 -2.946 7.435 1.00 0.00 C ATOM 569 CD2 TYR A 73 -7.842 -1.280 5.708 1.00 0.00 C ATOM 570 CE1 TYR A 73 -6.879 -3.724 6.659 1.00 0.00 C ATOM 571 CE2 TYR A 73 -6.985 -2.044 4.940 1.00 0.00 C ATOM 572 CZ TYR A 73 -6.543 -3.286 5.378 1.00 0.00 C ATOM 573 OH TYR A 73 -5.711 -4.009 4.586 1.00 0.00 O ATOM 0 H TYR A 73 -12.495 -0.879 7.017 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.572 -2.894 6.743 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -9.562 -0.144 7.395 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -9.277 -1.242 8.730 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.954 -3.258 8.441 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -8.181 -0.317 5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -6.490 -4.657 7.039 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.653 -1.669 3.983 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.203 -4.328 3.801 1.00 0.00 H new ATOM 574 N SER A 74 -11.085 -3.285 9.302 1.00 0.00 N ATOM 575 CA SER A 74 -11.434 -3.736 10.675 1.00 0.00 C ATOM 576 C SER A 74 -10.636 -5.052 10.941 1.00 0.00 C ATOM 577 O SER A 74 -11.155 -6.160 10.773 1.00 0.00 O ATOM 578 CB SER A 74 -12.960 -3.902 10.688 1.00 0.00 C ATOM 579 OG SER A 74 -13.459 -4.450 11.894 1.00 0.00 O ATOM 0 H SER A 74 -10.506 -3.967 8.812 1.00 0.00 H new ATOM 0 HA SER A 74 -11.168 -3.043 11.473 1.00 0.00 H new ATOM 0 HB2 SER A 74 -13.424 -2.930 10.520 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.255 -4.544 9.858 1.00 0.00 H new ATOM 0 HG SER A 74 -13.968 -5.264 11.697 1.00 0.00 H new ATOM 580 N TYR A 75 -9.374 -4.927 11.366 1.00 0.00 N ATOM 581 CA TYR A 75 -8.346 -5.957 11.242 1.00 0.00 C ATOM 582 C TYR A 75 -7.979 -6.643 12.567 1.00 0.00 C ATOM 583 O TYR A 75 -8.839 -7.044 13.356 1.00 0.00 O ATOM 584 CB TYR A 75 -7.227 -5.147 10.457 1.00 0.00 C ATOM 585 CG TYR A 75 -6.558 -3.956 11.185 1.00 0.00 C ATOM 586 CD1 TYR A 75 -7.151 -2.700 11.469 1.00 0.00 C ATOM 587 CD2 TYR A 75 -5.323 -4.233 11.738 1.00 0.00 C ATOM 588 CE1 TYR A 75 -6.587 -1.868 12.441 1.00 0.00 C ATOM 589 CE2 TYR A 75 -4.767 -3.425 12.723 1.00 0.00 C ATOM 590 CZ TYR A 75 -5.413 -2.251 13.099 1.00 0.00 C ATOM 591 OH TYR A 75 -4.906 -1.468 14.092 1.00 0.00 O ATOM 0 H TYR A 75 -9.033 -4.079 11.819 1.00 0.00 H new ATOM 0 HA TYR A 75 -8.628 -6.864 10.707 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -6.443 -5.849 10.171 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -7.670 -4.771 9.535 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -8.036 -2.387 10.936 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -4.776 -5.099 11.397 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.059 -0.927 12.684 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -3.837 -3.707 13.195 1.00 0.00 H new ATOM 0 HH TYR A 75 -4.721 -2.019 14.881 1.00 0.00 H new ATOM 592 N SER A 76 -6.671 -6.865 12.709 1.00 0.00 N ATOM 593 CA SER A 76 -6.052 -7.877 13.574 1.00 0.00 C ATOM 594 C SER A 76 -4.485 -7.651 13.597 1.00 0.00 C ATOM 595 O SER A 76 -3.989 -6.541 13.405 1.00 0.00 O ATOM 596 CB SER A 76 -6.314 -9.197 12.770 1.00 0.00 C ATOM 597 OG SER A 76 -7.626 -9.695 12.935 1.00 0.00 O ATOM 0 H SER A 76 -5.978 -6.317 12.199 1.00 0.00 H new ATOM 0 HA SER A 76 -6.429 -7.868 14.597 1.00 0.00 H new ATOM 0 HB2 SER A 76 -6.132 -9.013 11.711 1.00 0.00 H new ATOM 0 HB3 SER A 76 -5.600 -9.957 13.088 1.00 0.00 H new ATOM 0 HG SER A 76 -7.687 -10.592 12.545 1.00 0.00 H new ATOM 598 N CYS A 77 -3.773 -8.738 13.930 1.00 0.00 N ATOM 599 CA CYS A 77 -2.372 -9.007 13.663 1.00 0.00 C ATOM 600 C CYS A 77 -2.085 -10.401 14.418 1.00 0.00 C ATOM 601 O CYS A 77 -2.698 -10.736 15.441 1.00 0.00 O ATOM 602 CB CYS A 77 -1.453 -7.972 14.222 1.00 0.00 C ATOM 603 SG CYS A 77 -1.293 -6.392 13.416 1.00 0.00 S ATOM 0 H CYS A 77 -4.209 -9.510 14.435 1.00 0.00 H new ATOM 0 HA CYS A 77 -2.192 -9.021 12.588 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -1.766 -7.782 15.249 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -0.458 -8.414 14.269 1.00 0.00 H new ATOM 604 N SER A 78 -1.075 -11.117 13.927 1.00 0.00 N ATOM 605 CA SER A 78 -0.627 -12.407 14.536 1.00 0.00 C ATOM 606 C SER A 78 0.896 -12.295 14.800 1.00 0.00 C ATOM 607 O SER A 78 1.366 -11.342 15.431 1.00 0.00 O ATOM 608 CB SER A 78 -1.207 -13.595 13.731 1.00 0.00 C ATOM 609 OG SER A 78 -2.635 -13.572 13.750 1.00 0.00 O ATOM 0 H SER A 78 -0.538 -10.839 13.106 1.00 0.00 H new ATOM 0 HA SER A 78 -1.030 -12.626 15.525 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.852 -13.550 12.701 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.848 -14.535 14.151 1.00 0.00 H new ATOM 0 HG SER A 78 -2.981 -14.330 13.234 1.00 0.00 H new ATOM 610 N ASN A 79 1.632 -13.290 14.318 1.00 0.00 N ATOM 611 CA ASN A 79 3.101 -13.240 14.069 1.00 0.00 C ATOM 612 C ASN A 79 3.647 -11.894 13.434 1.00 0.00 C ATOM 613 O ASN A 79 4.667 -11.338 13.839 1.00 0.00 O ATOM 614 CB ASN A 79 3.358 -14.395 13.017 1.00 0.00 C ATOM 615 CG ASN A 79 3.462 -15.810 13.582 1.00 0.00 C ATOM 616 OD1 ASN A 79 3.723 -16.039 14.763 1.00 0.00 O ATOM 617 ND2 ASN A 79 3.285 -16.804 12.731 1.00 0.00 N ATOM 0 H ASN A 79 1.225 -14.193 14.075 1.00 0.00 H new ATOM 0 HA ASN A 79 3.612 -13.332 15.027 1.00 0.00 H new ATOM 0 HB2 ASN A 79 2.551 -14.377 12.284 1.00 0.00 H new ATOM 0 HB3 ASN A 79 4.280 -14.171 12.481 1.00 0.00 H new ATOM 0 HD21 ASN A 79 3.364 -17.769 13.051 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.069 -16.606 11.754 1.00 0.00 H new ATOM 618 N THR A 80 2.873 -11.501 12.435 1.00 0.00 N ATOM 619 CA THR A 80 3.029 -10.396 11.490 1.00 0.00 C ATOM 620 C THR A 80 1.655 -10.223 10.679 1.00 0.00 C ATOM 621 O THR A 80 1.351 -9.110 10.259 1.00 0.00 O ATOM 622 CB THR A 80 4.148 -10.586 10.414 1.00 0.00 C ATOM 623 OG1 THR A 80 3.916 -11.727 9.586 1.00 0.00 O ATOM 624 CG2 THR A 80 5.556 -10.723 10.969 1.00 0.00 C ATOM 0 H THR A 80 2.011 -12.011 12.240 1.00 0.00 H new ATOM 0 HA THR A 80 3.305 -9.537 12.101 1.00 0.00 H new ATOM 0 HB THR A 80 4.089 -9.660 9.842 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.638 -11.806 8.928 1.00 0.00 H new ATOM 0 HG21 THR A 80 6.260 -10.850 10.147 1.00 0.00 H new ATOM 0 HG22 THR A 80 5.814 -9.826 11.532 1.00 0.00 H new ATOM 0 HG23 THR A 80 5.605 -11.591 11.627 1.00 0.00 H new ATOM 625 N GLU A 81 0.923 -11.339 10.467 1.00 0.00 N ATOM 626 CA GLU A 81 -0.211 -11.472 9.556 1.00 0.00 C ATOM 627 C GLU A 81 -1.557 -11.238 10.227 1.00 0.00 C ATOM 628 O GLU A 81 -1.863 -11.719 11.315 1.00 0.00 O ATOM 629 CB GLU A 81 -0.241 -12.936 9.023 1.00 0.00 C ATOM 630 CG GLU A 81 0.968 -13.173 8.120 1.00 0.00 C ATOM 631 CD GLU A 81 0.960 -14.489 7.381 1.00 0.00 C ATOM 632 OE1 GLU A 81 1.490 -15.507 8.132 1.00 0.00 O ATOM 633 OE2 GLU A 81 0.527 -14.622 6.237 1.00 0.00 O ATOM 0 H GLU A 81 1.126 -12.210 10.957 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.074 -10.723 8.777 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -0.229 -13.638 9.857 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.163 -13.114 8.469 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.023 -12.364 7.392 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.872 -13.119 8.726 1.00 0.00 H new ATOM 634 N ILE A 82 -2.400 -10.569 9.469 1.00 0.00 N ATOM 635 CA ILE A 82 -3.570 -9.868 10.038 1.00 0.00 C ATOM 636 C ILE A 82 -4.847 -10.591 9.517 1.00 0.00 C ATOM 637 O ILE A 82 -5.102 -11.728 9.921 1.00 0.00 O ATOM 638 CB ILE A 82 -3.257 -8.379 9.727 1.00 0.00 C ATOM 639 CG1 ILE A 82 -1.947 -7.786 10.354 1.00 0.00 C ATOM 640 CG2 ILE A 82 -4.349 -7.370 9.990 1.00 0.00 C ATOM 641 CD1 ILE A 82 -0.926 -7.351 9.314 1.00 0.00 C ATOM 0 H ILE A 82 -2.311 -10.486 8.456 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.772 -9.891 11.109 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.132 -8.501 8.651 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.206 -6.931 10.979 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.495 -8.532 11.007 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -3.994 -6.373 9.729 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.223 -7.614 9.386 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.620 -7.394 11.046 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.045 -6.951 9.815 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.639 -8.208 8.705 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.362 -6.582 8.676 1.00 0.00 H new ATOM 642 N THR A 83 -5.635 -9.899 8.693 1.00 0.00 N ATOM 643 CA THR A 83 -6.934 -10.356 8.120 1.00 0.00 C ATOM 644 C THR A 83 -7.342 -9.208 7.154 1.00 0.00 C ATOM 645 O THR A 83 -6.831 -9.250 6.041 1.00 0.00 O ATOM 646 CB THR A 83 -8.003 -10.862 9.109 1.00 0.00 C ATOM 647 OG1 THR A 83 -9.077 -11.456 8.379 1.00 0.00 O ATOM 648 CG2 THR A 83 -8.576 -9.811 10.047 1.00 0.00 C ATOM 0 H THR A 83 -5.387 -8.959 8.383 1.00 0.00 H new ATOM 0 HA THR A 83 -6.822 -11.300 7.587 1.00 0.00 H new ATOM 0 HB THR A 83 -7.485 -11.579 9.746 1.00 0.00 H new ATOM 0 HG1 THR A 83 -9.758 -11.780 9.005 1.00 0.00 H new ATOM 0 HG21 THR A 83 -9.318 -10.271 10.700 1.00 0.00 H new ATOM 0 HG22 THR A 83 -7.774 -9.387 10.651 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.047 -9.020 9.463 1.00 0.00 H new ATOM 649 N CYS A 84 -8.284 -8.280 7.476 1.00 0.00 N ATOM 650 CA CYS A 84 -8.468 -6.987 6.813 1.00 0.00 C ATOM 651 C CYS A 84 -9.695 -6.293 7.443 1.00 0.00 C ATOM 652 O CYS A 84 -9.521 -5.318 8.155 1.00 0.00 O ATOM 653 CB CYS A 84 -8.482 -6.937 5.315 1.00 0.00 C ATOM 654 SG CYS A 84 -9.752 -7.967 4.606 1.00 0.00 S ATOM 0 H CYS A 84 -8.952 -8.430 8.232 1.00 0.00 H new ATOM 0 HA CYS A 84 -7.543 -6.442 7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 84 -8.632 -5.907 4.991 1.00 0.00 H new ATOM 0 HB3 CYS A 84 -7.510 -7.252 4.936 1.00 0.00 H new ATOM 655 N ASN A 85 -10.904 -6.794 7.148 1.00 0.00 N ATOM 656 CA ASN A 85 -12.188 -6.267 7.641 1.00 0.00 C ATOM 657 C ASN A 85 -13.039 -7.427 8.247 1.00 0.00 C ATOM 658 O ASN A 85 -12.625 -8.593 8.278 1.00 0.00 O ATOM 659 CB ASN A 85 -12.852 -5.463 6.488 1.00 0.00 C ATOM 660 CG ASN A 85 -13.530 -6.266 5.367 1.00 0.00 C ATOM 661 OD1 ASN A 85 -14.720 -6.115 5.106 1.00 0.00 O ATOM 662 ND2 ASN A 85 -12.823 -7.174 4.712 1.00 0.00 N ATOM 0 H ASN A 85 -11.020 -7.604 6.539 1.00 0.00 H new ATOM 0 HA ASN A 85 -12.067 -5.566 8.467 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -13.598 -4.799 6.926 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -12.089 -4.830 6.035 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.267 -7.745 3.993 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -11.834 -7.302 4.926 1.00 0.00 H new ATOM 663 N SER A 86 -14.235 -7.090 8.747 1.00 0.00 N ATOM 664 CA SER A 86 -15.207 -8.101 9.251 1.00 0.00 C ATOM 665 C SER A 86 -16.664 -7.668 8.929 1.00 0.00 C ATOM 666 O SER A 86 -17.496 -7.525 9.831 1.00 0.00 O ATOM 667 CB SER A 86 -14.953 -8.384 10.753 1.00 0.00 C ATOM 668 OG SER A 86 -15.104 -7.223 11.568 1.00 0.00 O ATOM 0 H SER A 86 -14.564 -6.127 8.818 1.00 0.00 H new ATOM 0 HA SER A 86 -15.058 -9.048 8.732 1.00 0.00 H new ATOM 0 HB2 SER A 86 -15.644 -9.154 11.095 1.00 0.00 H new ATOM 0 HB3 SER A 86 -13.946 -8.781 10.878 1.00 0.00 H new ATOM 0 HG SER A 86 -15.974 -6.809 11.390 1.00 0.00 H new ATOM 669 N LYS A 87 -16.965 -7.475 7.625 1.00 0.00 N ATOM 670 CA LYS A 87 -18.266 -6.931 7.169 1.00 0.00 C ATOM 671 C LYS A 87 -18.612 -7.270 5.681 1.00 0.00 C ATOM 672 O LYS A 87 -19.686 -7.820 5.430 1.00 0.00 O ATOM 673 CB LYS A 87 -18.486 -5.455 7.570 1.00 0.00 C ATOM 674 CG LYS A 87 -17.451 -4.417 7.171 1.00 0.00 C ATOM 675 CD LYS A 87 -16.331 -4.042 8.139 1.00 0.00 C ATOM 676 CE LYS A 87 -16.715 -3.266 9.408 1.00 0.00 C ATOM 677 NZ LYS A 87 -17.174 -4.121 10.518 1.00 0.00 N ATOM 0 H LYS A 87 -16.320 -7.689 6.865 1.00 0.00 H new ATOM 0 HA LYS A 87 -19.022 -7.477 7.733 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.443 -5.141 7.154 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.584 -5.421 8.655 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -16.981 -4.765 6.251 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.989 -3.501 6.927 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -15.831 -4.961 8.446 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -15.599 -3.448 7.591 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -15.854 -2.686 9.741 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -17.503 -2.554 9.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -16.966 -3.655 11.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -18.199 -4.276 10.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -16.681 -5.036 10.478 1.00 0.00 H new ATOM 678 N ASN A 88 -17.717 -6.940 4.736 1.00 0.00 N ATOM 679 CA ASN A 88 -17.866 -7.148 3.279 1.00 0.00 C ATOM 680 C ASN A 88 -19.105 -6.594 2.523 1.00 0.00 C ATOM 681 O ASN A 88 -20.241 -7.046 2.679 1.00 0.00 O ATOM 682 CB ASN A 88 -17.510 -8.545 2.695 1.00 0.00 C ATOM 683 CG ASN A 88 -18.243 -9.764 3.224 1.00 0.00 C ATOM 684 OD1 ASN A 88 -17.902 -10.303 4.276 1.00 0.00 O ATOM 685 ND2 ASN A 88 -19.258 -10.237 2.521 1.00 0.00 N ATOM 0 H ASN A 88 -16.828 -6.501 4.973 1.00 0.00 H new ATOM 0 HA ASN A 88 -17.054 -6.452 3.066 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -17.671 -8.504 1.618 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -16.444 -8.707 2.852 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -19.768 -11.057 2.849 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -19.531 -9.782 1.650 1.00 0.00 H new ATOM 686 N ASN A 89 -18.768 -5.683 1.610 1.00 0.00 N ATOM 687 CA ASN A 89 -19.521 -5.448 0.363 1.00 0.00 C ATOM 688 C ASN A 89 -18.320 -5.555 -0.659 1.00 0.00 C ATOM 689 O ASN A 89 -17.705 -6.623 -0.767 1.00 0.00 O ATOM 690 CB ASN A 89 -20.333 -4.143 0.397 1.00 0.00 C ATOM 691 CG ASN A 89 -21.514 -4.146 1.373 1.00 0.00 C ATOM 692 OD1 ASN A 89 -21.383 -3.742 2.528 1.00 0.00 O ATOM 693 ND2 ASN A 89 -22.681 -4.595 0.942 1.00 0.00 N ATOM 0 H ASN A 89 -17.955 -5.076 1.711 1.00 0.00 H new ATOM 0 HA ASN A 89 -20.335 -6.131 0.121 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -19.665 -3.323 0.660 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -20.709 -3.939 -0.606 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -23.485 -4.609 1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -22.777 -4.927 -0.018 1.00 0.00 H new ATOM 694 N ALA A 90 -18.066 -4.519 -1.461 1.00 0.00 N ATOM 695 CA ALA A 90 -16.758 -4.296 -2.135 1.00 0.00 C ATOM 696 C ALA A 90 -15.875 -3.108 -1.602 1.00 0.00 C ATOM 697 O ALA A 90 -14.783 -2.884 -2.114 1.00 0.00 O ATOM 698 CB ALA A 90 -16.969 -4.080 -3.637 1.00 0.00 C ATOM 0 H ALA A 90 -18.758 -3.799 -1.671 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.203 -5.206 -1.905 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.005 -3.918 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -17.447 -4.960 -4.067 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -17.605 -3.208 -3.793 1.00 0.00 H new ATOM 699 N CYS A 91 -16.362 -2.281 -0.691 1.00 0.00 N ATOM 700 CA CYS A 91 -15.654 -1.026 -0.256 1.00 0.00 C ATOM 701 C CYS A 91 -14.740 -1.208 0.945 1.00 0.00 C ATOM 702 O CYS A 91 -13.571 -0.833 0.948 1.00 0.00 O ATOM 703 CB CYS A 91 -16.755 0.015 -0.167 1.00 0.00 C ATOM 704 SG CYS A 91 -16.116 1.681 -0.108 1.00 0.00 S ATOM 0 H CYS A 91 -17.252 -2.434 -0.218 1.00 0.00 H new ATOM 0 HA CYS A 91 -14.900 -0.686 -0.966 1.00 0.00 H new ATOM 0 HB2 CYS A 91 -17.417 -0.087 -1.027 1.00 0.00 H new ATOM 0 HB3 CYS A 91 -17.357 -0.172 0.723 1.00 0.00 H new ATOM 705 N GLU A 92 -15.280 -1.837 1.969 1.00 0.00 N ATOM 706 CA GLU A 92 -14.490 -2.560 2.976 1.00 0.00 C ATOM 707 C GLU A 92 -13.711 -3.767 2.414 1.00 0.00 C ATOM 708 O GLU A 92 -12.541 -3.901 2.776 1.00 0.00 O ATOM 709 CB GLU A 92 -15.439 -3.027 4.100 1.00 0.00 C ATOM 710 CG GLU A 92 -16.715 -3.738 3.608 1.00 0.00 C ATOM 711 CD GLU A 92 -18.028 -3.054 3.946 1.00 0.00 C ATOM 712 OE1 GLU A 92 -18.228 -1.850 3.788 1.00 0.00 O ATOM 713 OE2 GLU A 92 -18.970 -3.933 4.413 1.00 0.00 O ATOM 0 H GLU A 92 -16.286 -1.868 2.138 1.00 0.00 H new ATOM 0 HA GLU A 92 -13.735 -1.868 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -14.894 -3.702 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -15.728 -2.162 4.697 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -16.652 -3.847 2.525 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -16.733 -4.743 4.029 1.00 0.00 H new ATOM 714 N ALA A 93 -14.345 -4.619 1.576 1.00 0.00 N ATOM 715 CA ALA A 93 -13.707 -5.839 1.102 1.00 0.00 C ATOM 716 C ALA A 93 -12.805 -5.721 -0.123 1.00 0.00 C ATOM 717 O ALA A 93 -11.823 -6.471 -0.152 1.00 0.00 O ATOM 718 CB ALA A 93 -14.669 -6.976 0.779 1.00 0.00 C ATOM 0 H ALA A 93 -15.291 -4.474 1.224 1.00 0.00 H new ATOM 0 HA ALA A 93 -13.098 -6.054 1.980 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -14.105 -7.843 0.434 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.232 -7.242 1.674 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -15.359 -6.658 -0.002 1.00 0.00 H new ATOM 719 N PHE A 94 -13.127 -4.903 -1.165 1.00 0.00 N ATOM 720 CA PHE A 94 -12.168 -4.816 -2.322 1.00 0.00 C ATOM 721 C PHE A 94 -10.940 -3.976 -1.935 1.00 0.00 C ATOM 722 O PHE A 94 -9.851 -4.254 -2.446 1.00 0.00 O ATOM 723 CB PHE A 94 -12.884 -4.593 -3.671 1.00 0.00 C ATOM 724 CG PHE A 94 -12.467 -3.535 -4.702 1.00 0.00 C ATOM 725 CD1 PHE A 94 -11.735 -2.381 -4.405 1.00 0.00 C ATOM 726 CD2 PHE A 94 -12.878 -3.712 -6.030 1.00 0.00 C ATOM 727 CE1 PHE A 94 -11.272 -1.536 -5.402 1.00 0.00 C ATOM 728 CE2 PHE A 94 -12.428 -2.865 -7.044 1.00 0.00 C ATOM 729 CZ PHE A 94 -11.608 -1.786 -6.720 1.00 0.00 C ATOM 0 H PHE A 94 -13.970 -4.334 -1.238 1.00 0.00 H new ATOM 0 HA PHE A 94 -11.708 -5.779 -2.545 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -12.858 -5.551 -4.191 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -13.927 -4.389 -3.431 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.525 -2.142 -3.373 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -13.555 -4.518 -6.273 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -10.653 -0.688 -5.151 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.713 -3.044 -8.070 1.00 0.00 H new ATOM 0 HZ PHE A 94 -11.233 -1.142 -7.502 1.00 0.00 H new ATOM 730 N ILE A 95 -11.117 -2.937 -1.075 1.00 0.00 N ATOM 731 CA ILE A 95 -9.969 -2.120 -0.602 1.00 0.00 C ATOM 732 C ILE A 95 -9.134 -2.929 0.440 1.00 0.00 C ATOM 733 O ILE A 95 -7.912 -2.802 0.422 1.00 0.00 O ATOM 734 CB ILE A 95 -10.448 -0.708 -0.178 1.00 0.00 C ATOM 735 CG1 ILE A 95 -10.940 0.111 -1.410 1.00 0.00 C ATOM 736 CG2 ILE A 95 -9.338 0.111 0.498 1.00 0.00 C ATOM 737 CD1 ILE A 95 -12.425 0.018 -1.710 1.00 0.00 C ATOM 0 H ILE A 95 -12.023 -2.651 -0.703 1.00 0.00 H new ATOM 0 HA ILE A 95 -9.263 -1.917 -1.407 1.00 0.00 H new ATOM 0 HB ILE A 95 -11.260 -0.875 0.529 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.685 1.159 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -10.389 -0.223 -2.289 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.726 1.091 0.775 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -8.995 -0.409 1.392 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.504 0.233 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -12.658 0.625 -2.585 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -12.692 -1.020 -1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -12.993 0.383 -0.854 1.00 0.00 H new ATOM 738 N CYS A 96 -9.769 -3.791 1.271 1.00 0.00 N ATOM 739 CA CYS A 96 -9.080 -4.906 1.963 1.00 0.00 C ATOM 740 C CYS A 96 -8.165 -5.761 1.048 1.00 0.00 C ATOM 741 O CYS A 96 -7.022 -5.992 1.442 1.00 0.00 O ATOM 742 CB CYS A 96 -10.167 -5.799 2.596 1.00 0.00 C ATOM 743 SG CYS A 96 -9.702 -7.529 2.696 1.00 0.00 S ATOM 0 H CYS A 96 -10.766 -3.733 1.479 1.00 0.00 H new ATOM 0 HA CYS A 96 -8.413 -4.471 2.707 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -10.389 -5.432 3.598 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -11.084 -5.710 2.013 1.00 0.00 H new ATOM 744 N ASN A 97 -8.640 -6.216 -0.137 1.00 0.00 N ATOM 745 CA ASN A 97 -7.777 -7.021 -1.056 1.00 0.00 C ATOM 746 C ASN A 97 -6.561 -6.268 -1.665 1.00 0.00 C ATOM 747 O ASN A 97 -5.473 -6.849 -1.701 1.00 0.00 O ATOM 748 CB ASN A 97 -8.672 -7.617 -2.162 1.00 0.00 C ATOM 749 CG ASN A 97 -8.153 -8.892 -2.815 1.00 0.00 C ATOM 750 OD1 ASN A 97 -7.699 -9.826 -2.154 1.00 0.00 O ATOM 751 ND2 ASN A 97 -8.272 -8.991 -4.125 1.00 0.00 N ATOM 0 H ASN A 97 -9.587 -6.050 -0.478 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.317 -7.801 -0.450 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -9.655 -7.822 -1.738 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -8.810 -6.864 -2.937 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.987 -9.847 -4.600 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -8.649 -8.211 -4.663 1.00 0.00 H new ATOM 752 N CYS A 98 -6.731 -5.009 -2.107 1.00 0.00 N ATOM 753 CA CYS A 98 -5.593 -4.164 -2.557 1.00 0.00 C ATOM 754 C CYS A 98 -4.586 -3.879 -1.401 1.00 0.00 C ATOM 755 O CYS A 98 -3.412 -4.219 -1.563 1.00 0.00 O ATOM 756 CB CYS A 98 -6.135 -2.906 -3.251 1.00 0.00 C ATOM 757 SG CYS A 98 -4.876 -2.101 -4.262 1.00 0.00 S ATOM 0 H CYS A 98 -7.640 -4.549 -2.165 1.00 0.00 H new ATOM 0 HA CYS A 98 -5.003 -4.706 -3.296 1.00 0.00 H new ATOM 0 HB2 CYS A 98 -6.986 -3.175 -3.877 1.00 0.00 H new ATOM 0 HB3 CYS A 98 -6.500 -2.206 -2.500 1.00 0.00 H new ATOM 758 N ASP A 99 -5.042 -3.352 -0.239 1.00 0.00 N ATOM 759 CA ASP A 99 -4.188 -3.105 0.953 1.00 0.00 C ATOM 760 C ASP A 99 -3.441 -4.329 1.502 1.00 0.00 C ATOM 761 O ASP A 99 -2.219 -4.260 1.573 1.00 0.00 O ATOM 762 CB ASP A 99 -4.952 -2.392 2.079 1.00 0.00 C ATOM 763 CG ASP A 99 -5.207 -0.911 1.861 1.00 0.00 C ATOM 764 OD1 ASP A 99 -4.360 -0.049 2.072 1.00 0.00 O ATOM 765 OD2 ASP A 99 -6.480 -0.652 1.446 1.00 0.00 O ATOM 0 H ASP A 99 -6.016 -3.084 -0.100 1.00 0.00 H new ATOM 0 HA ASP A 99 -3.412 -2.443 0.570 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -5.911 -2.891 2.216 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -4.393 -2.514 3.007 1.00 0.00 H new ATOM 766 N ARG A 100 -4.125 -5.414 1.869 1.00 0.00 N ATOM 767 CA ARG A 100 -3.449 -6.620 2.376 1.00 0.00 C ATOM 768 C ARG A 100 -2.507 -7.333 1.406 1.00 0.00 C ATOM 769 O ARG A 100 -1.438 -7.691 1.889 1.00 0.00 O ATOM 770 CB ARG A 100 -4.420 -7.689 2.860 1.00 0.00 C ATOM 771 CG ARG A 100 -5.262 -7.321 4.052 1.00 0.00 C ATOM 772 CD ARG A 100 -4.645 -6.976 5.402 1.00 0.00 C ATOM 773 NE ARG A 100 -3.402 -7.606 5.830 1.00 0.00 N ATOM 774 CZ ARG A 100 -3.122 -8.917 5.917 1.00 0.00 C ATOM 775 NH1 ARG A 100 -3.967 -9.894 5.621 1.00 0.00 N ATOM 776 NH2 ARG A 100 -1.915 -9.256 6.321 1.00 0.00 N ATOM 0 H ARG A 100 -5.141 -5.487 1.827 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.860 -6.192 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.085 -7.948 2.036 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -3.851 -8.586 3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -5.869 -6.465 3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.946 -8.153 4.222 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -4.481 -5.899 5.415 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.394 -7.193 6.163 1.00 0.00 H new ATOM 0 HE ARG A 100 -2.650 -6.971 6.097 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -4.910 -9.673 5.300 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -3.675 -10.867 5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -1.234 -8.534 6.554 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -1.662 -10.241 6.401 1.00 0.00 H new ATOM 777 N ASN A 101 -2.814 -7.575 0.110 1.00 0.00 N ATOM 778 CA ASN A 101 -1.754 -8.170 -0.766 1.00 0.00 C ATOM 779 C ASN A 101 -0.540 -7.190 -1.036 1.00 0.00 C ATOM 780 O ASN A 101 0.526 -7.654 -1.442 1.00 0.00 O ATOM 781 CB ASN A 101 -2.345 -8.695 -2.085 1.00 0.00 C ATOM 782 CG ASN A 101 -3.156 -9.986 -1.938 1.00 0.00 C ATOM 783 OD1 ASN A 101 -2.610 -11.051 -1.649 1.00 0.00 O ATOM 784 ND2 ASN A 101 -4.461 -9.930 -2.136 1.00 0.00 N ATOM 0 H ASN A 101 -3.712 -7.388 -0.335 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.347 -9.015 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -2.984 -7.924 -2.516 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.533 -8.867 -2.791 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -5.027 -10.774 -2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -4.903 -9.042 -2.375 1.00 0.00 H new ATOM 785 N ALA A 102 -0.711 -5.885 -0.746 1.00 0.00 N ATOM 786 CA ALA A 102 0.392 -4.952 -0.518 1.00 0.00 C ATOM 787 C ALA A 102 0.997 -5.093 0.914 1.00 0.00 C ATOM 788 O ALA A 102 2.204 -5.011 0.922 1.00 0.00 O ATOM 789 CB ALA A 102 -0.080 -3.539 -0.839 1.00 0.00 C ATOM 0 H ALA A 102 -1.631 -5.452 -0.664 1.00 0.00 H new ATOM 0 HA ALA A 102 1.216 -5.194 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 102 0.736 -2.836 -0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -0.395 -3.489 -1.881 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -0.920 -3.280 -0.194 1.00 0.00 H new ATOM 790 N ALA A 103 0.319 -5.349 2.074 1.00 0.00 N ATOM 791 CA ALA A 103 1.030 -5.714 3.376 1.00 0.00 C ATOM 792 C ALA A 103 1.974 -6.994 3.362 1.00 0.00 C ATOM 793 O ALA A 103 2.828 -7.169 4.222 1.00 0.00 O ATOM 794 CB ALA A 103 -0.019 -5.911 4.492 1.00 0.00 C ATOM 0 H ALA A 103 -0.697 -5.315 2.152 1.00 0.00 H new ATOM 0 HA ALA A 103 1.700 -4.871 3.544 1.00 0.00 H new ATOM 0 HB1 ALA A 103 0.485 -6.172 5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -0.581 -4.987 4.630 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -0.702 -6.713 4.212 1.00 0.00 H new ATOM 795 N ILE A 104 1.705 -7.823 2.375 1.00 0.00 N ATOM 796 CA ILE A 104 2.356 -9.101 1.952 1.00 0.00 C ATOM 797 C ILE A 104 3.522 -8.921 0.968 1.00 0.00 C ATOM 798 O ILE A 104 4.486 -9.671 0.917 1.00 0.00 O ATOM 799 CB ILE A 104 1.140 -9.811 1.233 1.00 0.00 C ATOM 800 CG1 ILE A 104 0.186 -10.573 2.162 1.00 0.00 C ATOM 801 CG2 ILE A 104 1.418 -10.664 -0.017 1.00 0.00 C ATOM 802 CD1 ILE A 104 -0.061 -9.955 3.524 1.00 0.00 C ATOM 0 H ILE A 104 0.925 -7.611 1.752 1.00 0.00 H new ATOM 0 HA ILE A 104 2.812 -9.637 2.784 1.00 0.00 H new ATOM 0 HB ILE A 104 0.650 -8.911 0.862 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -0.773 -10.679 1.655 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.582 -11.578 2.309 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.482 -11.080 -0.389 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.870 -10.042 -0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 104 2.099 -11.475 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -0.750 -10.583 4.089 1.00 0.00 H new ATOM 0 HD12 ILE A 104 0.883 -9.875 4.064 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -0.493 -8.962 3.400 1.00 0.00 H new ATOM 803 N CYS A 105 3.340 -8.026 0.019 1.00 0.00 N ATOM 804 CA CYS A 105 4.495 -7.534 -0.756 1.00 0.00 C ATOM 805 C CYS A 105 5.407 -6.622 0.135 1.00 0.00 C ATOM 806 O CYS A 105 6.628 -6.719 0.094 1.00 0.00 O ATOM 807 CB CYS A 105 3.966 -6.709 -1.920 1.00 0.00 C ATOM 808 SG CYS A 105 3.236 -7.648 -3.253 1.00 0.00 S ATOM 0 H CYS A 105 2.439 -7.625 -0.240 1.00 0.00 H new ATOM 0 HA CYS A 105 5.083 -8.381 -1.108 1.00 0.00 H new ATOM 0 HB2 CYS A 105 3.221 -6.010 -1.539 1.00 0.00 H new ATOM 0 HB3 CYS A 105 4.785 -6.113 -2.323 1.00 0.00 H new ATOM 809 N PHE A 106 4.787 -5.798 0.969 1.00 0.00 N ATOM 810 CA PHE A 106 5.476 -4.844 1.851 1.00 0.00 C ATOM 811 C PHE A 106 6.181 -5.512 3.003 1.00 0.00 C ATOM 812 O PHE A 106 7.343 -5.173 3.232 1.00 0.00 O ATOM 813 CB PHE A 106 4.495 -3.741 2.193 1.00 0.00 C ATOM 814 CG PHE A 106 4.104 -2.852 0.961 1.00 0.00 C ATOM 815 CD1 PHE A 106 4.619 -2.928 -0.381 1.00 0.00 C ATOM 816 CD2 PHE A 106 3.026 -2.018 1.201 1.00 0.00 C ATOM 817 CE1 PHE A 106 4.068 -2.136 -1.384 1.00 0.00 C ATOM 818 CE2 PHE A 106 2.520 -1.191 0.212 1.00 0.00 C ATOM 819 CZ PHE A 106 3.044 -1.248 -1.078 1.00 0.00 C ATOM 0 H PHE A 106 3.771 -5.767 1.059 1.00 0.00 H new ATOM 0 HA PHE A 106 6.317 -4.371 1.344 1.00 0.00 H new ATOM 0 HB2 PHE A 106 3.592 -4.185 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 106 4.928 -3.107 2.967 1.00 0.00 H new ATOM 0 HD1 PHE A 106 5.433 -3.600 -0.610 1.00 0.00 H new ATOM 0 HD2 PHE A 106 2.570 -2.012 2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 106 4.435 -2.211 -2.397 1.00 0.00 H new ATOM 0 HE2 PHE A 106 1.720 -0.502 0.440 1.00 0.00 H new ATOM 0 HZ PHE A 106 2.651 -0.597 -1.845 1.00 0.00 H new ATOM 820 N SER A 107 5.575 -6.507 3.672 1.00 0.00 N ATOM 821 CA SER A 107 6.367 -7.300 4.638 1.00 0.00 C ATOM 822 C SER A 107 7.443 -8.248 3.998 1.00 0.00 C ATOM 823 O SER A 107 8.430 -8.559 4.669 1.00 0.00 O ATOM 824 CB SER A 107 5.412 -8.175 5.481 1.00 0.00 C ATOM 825 OG SER A 107 6.085 -8.979 6.448 1.00 0.00 O ATOM 0 H SER A 107 4.596 -6.775 3.575 1.00 0.00 H new ATOM 0 HA SER A 107 6.909 -6.566 5.234 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.696 -7.531 5.990 1.00 0.00 H new ATOM 0 HB3 SER A 107 4.841 -8.822 4.815 1.00 0.00 H new ATOM 0 HG SER A 107 6.387 -8.414 7.190 1.00 0.00 H new ATOM 826 N LYS A 108 7.214 -8.727 2.753 1.00 0.00 N ATOM 827 CA LYS A 108 7.772 -10.014 2.303 1.00 0.00 C ATOM 828 C LYS A 108 7.985 -10.282 0.788 1.00 0.00 C ATOM 829 O LYS A 108 8.561 -11.336 0.491 1.00 0.00 O ATOM 830 CB LYS A 108 7.003 -11.212 2.934 1.00 0.00 C ATOM 831 CG LYS A 108 5.511 -11.074 3.196 1.00 0.00 C ATOM 832 CD LYS A 108 4.574 -12.098 2.557 1.00 0.00 C ATOM 833 CE LYS A 108 4.945 -12.776 1.230 1.00 0.00 C ATOM 834 NZ LYS A 108 3.833 -13.609 0.736 1.00 0.00 N ATOM 0 H LYS A 108 6.652 -8.244 2.052 1.00 0.00 H new ATOM 0 HA LYS A 108 8.794 -9.919 2.671 1.00 0.00 H new ATOM 0 HB2 LYS A 108 7.144 -12.074 2.282 1.00 0.00 H new ATOM 0 HB3 LYS A 108 7.483 -11.448 3.883 1.00 0.00 H new ATOM 0 HG2 LYS A 108 5.357 -11.107 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 108 5.203 -10.084 2.860 1.00 0.00 H new ATOM 0 HD2 LYS A 108 4.416 -12.890 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 108 3.613 -11.605 2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 108 5.195 -12.018 0.487 1.00 0.00 H new ATOM 0 HE3 LYS A 108 5.833 -13.393 1.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.192 -14.551 0.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.113 -13.704 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 3.408 -13.160 -0.101 1.00 0.00 H new ATOM 835 N ALA A 109 7.597 -9.395 -0.143 1.00 0.00 N ATOM 836 CA ALA A 109 8.056 -9.484 -1.561 1.00 0.00 C ATOM 837 C ALA A 109 9.597 -9.835 -1.763 1.00 0.00 C ATOM 838 O ALA A 109 10.353 -9.830 -0.788 1.00 0.00 O ATOM 839 CB ALA A 109 7.950 -8.095 -2.270 1.00 0.00 C ATOM 0 H ALA A 109 6.973 -8.611 0.047 1.00 0.00 H new ATOM 0 HA ALA A 109 7.416 -10.271 -1.960 1.00 0.00 H new ATOM 0 HB1 ALA A 109 8.290 -8.186 -3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 109 6.913 -7.759 -2.258 1.00 0.00 H new ATOM 0 HB3 ALA A 109 8.573 -7.370 -1.745 1.00 0.00 H new ATOM 840 N PRO A 110 10.071 -10.048 -3.002 1.00 0.00 N ATOM 841 CA PRO A 110 11.547 -10.019 -3.388 1.00 0.00 C ATOM 842 C PRO A 110 12.143 -8.597 -3.301 1.00 0.00 C ATOM 843 O PRO A 110 12.421 -7.847 -4.241 1.00 0.00 O ATOM 844 CB PRO A 110 11.475 -10.525 -4.842 1.00 0.00 C ATOM 845 CG PRO A 110 10.275 -11.473 -4.749 1.00 0.00 C ATOM 846 CD PRO A 110 9.231 -10.585 -4.076 1.00 0.00 C ATOM 0 HA PRO A 110 12.192 -10.608 -2.736 1.00 0.00 H new ATOM 0 HB2 PRO A 110 11.310 -9.717 -5.554 1.00 0.00 H new ATOM 0 HB3 PRO A 110 12.386 -11.039 -5.148 1.00 0.00 H new ATOM 0 HG2 PRO A 110 9.948 -11.817 -5.730 1.00 0.00 H new ATOM 0 HG3 PRO A 110 10.500 -12.361 -4.158 1.00 0.00 H new ATOM 0 HD2 PRO A 110 8.843 -9.811 -4.738 1.00 0.00 H new ATOM 0 HD3 PRO A 110 8.374 -11.146 -3.704 1.00 0.00 H new ATOM 847 N TYR A 111 12.269 -8.344 -2.023 1.00 0.00 N ATOM 848 CA TYR A 111 12.492 -7.015 -1.439 1.00 0.00 C ATOM 849 C TYR A 111 13.881 -6.387 -1.777 1.00 0.00 C ATOM 850 O TYR A 111 14.818 -7.140 -2.065 1.00 0.00 O ATOM 851 CB TYR A 111 12.566 -7.321 0.114 1.00 0.00 C ATOM 852 CG TYR A 111 11.873 -6.286 0.945 1.00 0.00 C ATOM 853 CD1 TYR A 111 10.504 -6.429 0.970 1.00 0.00 C ATOM 854 CD2 TYR A 111 12.475 -5.146 1.530 1.00 0.00 C ATOM 855 CE1 TYR A 111 9.712 -5.425 1.485 1.00 0.00 C ATOM 856 CE2 TYR A 111 11.666 -4.187 2.139 1.00 0.00 C ATOM 857 CZ TYR A 111 10.279 -4.322 2.113 1.00 0.00 C ATOM 858 OH TYR A 111 9.521 -3.313 2.604 1.00 0.00 O ATOM 0 H TYR A 111 12.219 -9.080 -1.318 1.00 0.00 H new ATOM 0 HA TYR A 111 11.722 -6.332 -1.798 1.00 0.00 H new ATOM 0 HB2 TYR A 111 12.119 -8.296 0.309 1.00 0.00 H new ATOM 0 HB3 TYR A 111 13.611 -7.384 0.418 1.00 0.00 H new ATOM 0 HD1 TYR A 111 10.049 -7.330 0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.547 -5.021 1.505 1.00 0.00 H new ATOM 0 HE1 TYR A 111 8.638 -5.496 1.400 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.115 -3.338 2.632 1.00 0.00 H new ATOM 0 HH TYR A 111 8.744 -3.175 2.023 1.00 0.00 H new ATOM 859 N ASN A 112 14.048 -5.059 -1.649 1.00 0.00 N ATOM 860 CA ASN A 112 15.399 -4.447 -1.615 1.00 0.00 C ATOM 861 C ASN A 112 15.246 -3.099 -0.866 1.00 0.00 C ATOM 862 O ASN A 112 14.807 -2.089 -1.420 1.00 0.00 O ATOM 863 CB ASN A 112 16.087 -4.229 -2.982 1.00 0.00 C ATOM 864 CG ASN A 112 16.775 -5.447 -3.589 1.00 0.00 C ATOM 865 OD1 ASN A 112 17.743 -5.970 -3.037 1.00 0.00 O ATOM 866 ND2 ASN A 112 16.309 -5.924 -4.732 1.00 0.00 N ATOM 0 H ASN A 112 13.280 -4.393 -1.568 1.00 0.00 H new ATOM 0 HA ASN A 112 16.064 -5.152 -1.116 1.00 0.00 H new ATOM 0 HB2 ASN A 112 15.339 -3.870 -3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 112 16.827 -3.437 -2.871 1.00 0.00 H new ATOM 0 HD21 ASN A 112 16.753 -6.734 -5.165 1.00 0.00 H new ATOM 0 HD22 ASN A 112 15.506 -5.482 -5.180 1.00 0.00 H new ATOM 867 N LYS A 113 15.699 -3.143 0.393 1.00 0.00 N ATOM 868 CA LYS A 113 15.696 -2.026 1.356 1.00 0.00 C ATOM 869 C LYS A 113 16.973 -1.215 1.527 1.00 0.00 C ATOM 870 O LYS A 113 17.587 -1.018 2.579 1.00 0.00 O ATOM 871 CB LYS A 113 15.161 -2.624 2.640 1.00 0.00 C ATOM 872 CG LYS A 113 15.813 -3.858 3.286 1.00 0.00 C ATOM 873 CD LYS A 113 17.316 -4.088 3.328 1.00 0.00 C ATOM 874 CE LYS A 113 17.922 -4.955 2.208 1.00 0.00 C ATOM 875 NZ LYS A 113 17.525 -6.376 2.264 1.00 0.00 N ATOM 0 H LYS A 113 16.096 -3.995 0.790 1.00 0.00 H new ATOM 0 HA LYS A 113 15.068 -1.228 0.960 1.00 0.00 H new ATOM 0 HB2 LYS A 113 15.174 -1.831 3.388 1.00 0.00 H new ATOM 0 HB3 LYS A 113 14.116 -2.876 2.460 1.00 0.00 H new ATOM 0 HG2 LYS A 113 15.470 -3.880 4.320 1.00 0.00 H new ATOM 0 HG3 LYS A 113 15.383 -4.728 2.789 1.00 0.00 H new ATOM 0 HD2 LYS A 113 17.808 -3.116 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 113 17.562 -4.550 4.284 1.00 0.00 H new ATOM 0 HE2 LYS A 113 17.625 -4.544 1.243 1.00 0.00 H new ATOM 0 HE3 LYS A 113 19.009 -4.890 2.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 18.038 -6.909 1.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 17.756 -6.764 3.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 16.502 -6.457 2.098 1.00 0.00 H new ATOM 876 N GLU A 114 17.298 -0.628 0.397 1.00 0.00 N ATOM 877 CA GLU A 114 18.689 -0.617 -0.061 1.00 0.00 C ATOM 878 C GLU A 114 18.823 0.695 -0.842 1.00 0.00 C ATOM 879 O GLU A 114 19.573 1.591 -0.450 1.00 0.00 O ATOM 880 CB GLU A 114 18.770 -2.062 -0.648 1.00 0.00 C ATOM 881 CG GLU A 114 19.519 -2.176 -1.923 1.00 0.00 C ATOM 882 CD GLU A 114 21.021 -2.109 -1.879 1.00 0.00 C ATOM 883 OE1 GLU A 114 21.585 -3.335 -1.634 1.00 0.00 O ATOM 884 OE2 GLU A 114 21.660 -1.070 -2.044 1.00 0.00 O ATOM 0 H GLU A 114 16.638 -0.156 -0.221 1.00 0.00 H new ATOM 0 HA GLU A 114 19.577 -0.533 0.566 1.00 0.00 H new ATOM 0 HB2 GLU A 114 19.237 -2.713 0.091 1.00 0.00 H new ATOM 0 HB3 GLU A 114 17.757 -2.433 -0.804 1.00 0.00 H new ATOM 0 HG2 GLU A 114 19.242 -3.123 -2.387 1.00 0.00 H new ATOM 0 HG3 GLU A 114 19.171 -1.383 -2.585 1.00 0.00 H new ATOM 885 N HIS A 115 18.000 0.801 -1.901 1.00 0.00 N ATOM 886 CA HIS A 115 17.577 2.051 -2.524 1.00 0.00 C ATOM 887 C HIS A 115 16.262 2.418 -1.762 1.00 0.00 C ATOM 888 O HIS A 115 15.192 1.842 -1.958 1.00 0.00 O ATOM 889 CB HIS A 115 17.506 1.831 -4.048 1.00 0.00 C ATOM 890 CG HIS A 115 16.411 0.957 -4.666 1.00 0.00 C ATOM 891 ND1 HIS A 115 15.063 1.286 -4.701 1.00 0.00 N ATOM 892 CD2 HIS A 115 16.548 -0.419 -4.510 1.00 0.00 C ATOM 893 CE1 HIS A 115 14.544 0.074 -4.300 1.00 0.00 C ATOM 894 NE2 HIS A 115 15.337 -1.040 -4.343 1.00 0.00 N ATOM 0 H HIS A 115 17.600 -0.019 -2.358 1.00 0.00 H new ATOM 0 HA HIS A 115 18.246 2.907 -2.441 1.00 0.00 H new ATOM 0 HB2 HIS A 115 17.428 2.815 -4.510 1.00 0.00 H new ATOM 0 HB3 HIS A 115 18.463 1.409 -4.355 1.00 0.00 H new ATOM 0 HD1 HIS A 115 14.598 2.159 -4.948 1.00 0.00 H new ATOM 0 HD2 HIS A 115 17.496 -0.936 -4.519 1.00 0.00 H new ATOM 0 HE1 HIS A 115 13.523 0.004 -3.956 1.00 0.00 H new ATOM 895 N LYS A 116 16.387 3.312 -0.787 1.00 0.00 N ATOM 896 CA LYS A 116 15.250 3.650 0.184 1.00 0.00 C ATOM 897 C LYS A 116 14.901 5.100 0.633 1.00 0.00 C ATOM 898 O LYS A 116 14.079 5.414 1.496 1.00 0.00 O ATOM 899 CB LYS A 116 15.425 2.721 1.371 1.00 0.00 C ATOM 900 CG LYS A 116 16.302 3.272 2.490 1.00 0.00 C ATOM 901 CD LYS A 116 17.721 3.510 2.007 1.00 0.00 C ATOM 902 CE LYS A 116 18.672 4.102 3.037 1.00 0.00 C ATOM 903 NZ LYS A 116 19.285 3.117 3.945 1.00 0.00 N ATOM 0 H LYS A 116 17.245 3.836 -0.615 1.00 0.00 H new ATOM 0 HA LYS A 116 14.360 3.512 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.442 2.488 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 116 15.855 1.783 1.020 1.00 0.00 H new ATOM 0 HG2 LYS A 116 15.880 4.206 2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 116 16.312 2.573 3.326 1.00 0.00 H new ATOM 0 HD2 LYS A 116 18.132 2.562 1.661 1.00 0.00 H new ATOM 0 HD3 LYS A 116 17.686 4.176 1.145 1.00 0.00 H new ATOM 0 HE2 LYS A 116 19.465 4.637 2.514 1.00 0.00 H new ATOM 0 HE3 LYS A 116 18.130 4.837 3.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 19.916 3.605 4.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.539 2.621 4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 19.833 2.428 3.391 1.00 0.00 H new ATOM 904 N ASN A 117 15.739 5.861 0.028 1.00 0.00 N ATOM 905 CA ASN A 117 16.180 7.206 0.351 1.00 0.00 C ATOM 906 C ASN A 117 16.284 7.943 -0.995 1.00 0.00 C ATOM 907 O ASN A 117 15.766 9.059 -1.066 1.00 0.00 O ATOM 908 CB ASN A 117 17.513 6.981 1.095 1.00 0.00 C ATOM 909 CG ASN A 117 18.188 8.212 1.665 1.00 0.00 C ATOM 910 OD1 ASN A 117 17.808 8.717 2.721 1.00 0.00 O ATOM 911 ND2 ASN A 117 19.203 8.728 0.992 1.00 0.00 N ATOM 0 H ASN A 117 16.202 5.528 -0.818 1.00 0.00 H new ATOM 0 HA ASN A 117 15.535 7.816 0.984 1.00 0.00 H new ATOM 0 HB2 ASN A 117 17.333 6.282 1.912 1.00 0.00 H new ATOM 0 HB3 ASN A 117 18.209 6.498 0.409 1.00 0.00 H new ATOM 0 HD21 ASN A 117 19.682 9.556 1.347 1.00 0.00 H new ATOM 0 HD22 ASN A 117 19.507 8.298 0.118 1.00 0.00 H new ATOM 912 N LEU A 118 16.934 7.283 -2.032 1.00 0.00 N ATOM 913 CA LEU A 118 16.999 7.799 -3.441 1.00 0.00 C ATOM 914 C LEU A 118 17.031 9.327 -3.613 1.00 0.00 C ATOM 915 O LEU A 118 17.777 10.021 -2.913 1.00 0.00 O ATOM 916 CB LEU A 118 16.044 6.951 -4.287 1.00 0.00 C ATOM 917 CG LEU A 118 16.459 5.444 -4.373 1.00 0.00 C ATOM 918 CD1 LEU A 118 15.208 4.724 -3.938 1.00 0.00 C ATOM 919 CD2 LEU A 118 16.730 4.832 -5.743 1.00 0.00 C ATOM 0 H LEU A 118 17.416 6.393 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 118 17.993 7.651 -3.863 1.00 0.00 H new ATOM 0 HB2 LEU A 118 15.040 7.020 -3.867 1.00 0.00 H new ATOM 0 HB3 LEU A 118 15.998 7.365 -5.294 1.00 0.00 H new ATOM 0 HG LEU A 118 17.389 5.359 -3.810 1.00 0.00 H new ATOM 0 HD11 LEU A 118 15.381 3.648 -3.959 1.00 0.00 H new ATOM 0 HD12 LEU A 118 14.946 5.030 -2.925 1.00 0.00 H new ATOM 0 HD13 LEU A 118 14.391 4.973 -4.615 1.00 0.00 H new ATOM 0 HD21 LEU A 118 17.005 3.784 -5.625 1.00 0.00 H new ATOM 0 HD22 LEU A 118 15.833 4.905 -6.358 1.00 0.00 H new ATOM 0 HD23 LEU A 118 17.546 5.369 -6.226 1.00 0.00 H new ATOM 920 N ASP A 119 16.301 9.817 -4.615 1.00 0.00 N ATOM 921 CA ASP A 119 16.596 11.111 -5.269 1.00 0.00 C ATOM 922 C ASP A 119 15.414 11.514 -6.163 1.00 0.00 C ATOM 923 O ASP A 119 14.799 12.560 -5.936 1.00 0.00 O ATOM 924 CB ASP A 119 17.981 10.983 -5.927 1.00 0.00 C ATOM 925 CG ASP A 119 18.855 12.210 -6.000 1.00 0.00 C ATOM 926 OD1 ASP A 119 18.908 13.067 -5.118 1.00 0.00 O ATOM 927 OD2 ASP A 119 19.594 12.244 -7.151 1.00 0.00 O ATOM 0 H ASP A 119 15.489 9.337 -5.002 1.00 0.00 H new ATOM 0 HA ASP A 119 16.679 11.953 -4.582 1.00 0.00 H new ATOM 0 HB2 ASP A 119 18.534 10.213 -5.390 1.00 0.00 H new ATOM 0 HB3 ASP A 119 17.833 10.619 -6.944 1.00 0.00 H new ATOM 928 N THR A 120 15.050 10.636 -7.102 1.00 0.00 N ATOM 929 CA THR A 120 13.730 10.620 -7.776 1.00 0.00 C ATOM 930 C THR A 120 13.825 11.353 -9.114 1.00 0.00 C ATOM 931 O THR A 120 13.065 12.279 -9.406 1.00 0.00 O ATOM 932 CB THR A 120 12.480 10.738 -6.850 1.00 0.00 C ATOM 933 OG1 THR A 120 12.067 12.082 -6.640 1.00 0.00 O ATOM 934 CG2 THR A 120 12.731 10.051 -5.483 1.00 0.00 C ATOM 0 H THR A 120 15.672 9.896 -7.428 1.00 0.00 H new ATOM 0 HA THR A 120 13.460 9.610 -8.085 1.00 0.00 H new ATOM 0 HB THR A 120 11.673 10.226 -7.373 1.00 0.00 H new ATOM 0 HG1 THR A 120 12.838 12.622 -6.366 1.00 0.00 H new ATOM 0 HG21 THR A 120 11.843 10.149 -4.858 1.00 0.00 H new ATOM 0 HG22 THR A 120 12.949 8.995 -5.641 1.00 0.00 H new ATOM 0 HG23 THR A 120 13.578 10.526 -4.987 1.00 0.00 H new ATOM 935 N LYS A 121 14.788 10.863 -9.934 1.00 0.00 N ATOM 936 CA LYS A 121 15.034 11.364 -11.324 1.00 0.00 C ATOM 937 C LYS A 121 15.710 10.238 -12.168 1.00 0.00 C ATOM 938 O LYS A 121 15.200 9.792 -13.196 1.00 0.00 O ATOM 939 CB LYS A 121 15.756 12.715 -11.280 1.00 0.00 C ATOM 940 CG LYS A 121 17.184 12.738 -10.717 1.00 0.00 C ATOM 941 CD LYS A 121 17.424 13.863 -9.704 1.00 0.00 C ATOM 942 CE LYS A 121 16.737 13.521 -8.372 1.00 0.00 C ATOM 943 NZ LYS A 121 16.898 14.603 -7.384 1.00 0.00 N ATOM 0 H LYS A 121 15.419 10.111 -9.658 1.00 0.00 H new ATOM 0 HA LYS A 121 14.103 11.583 -11.847 1.00 0.00 H new ATOM 0 HB2 LYS A 121 15.788 13.112 -12.295 1.00 0.00 H new ATOM 0 HB3 LYS A 121 15.150 13.401 -10.688 1.00 0.00 H new ATOM 0 HG2 LYS A 121 17.394 11.780 -10.241 1.00 0.00 H new ATOM 0 HG3 LYS A 121 17.889 12.845 -11.541 1.00 0.00 H new ATOM 0 HD2 LYS A 121 18.494 14.001 -9.547 1.00 0.00 H new ATOM 0 HD3 LYS A 121 17.035 14.804 -10.093 1.00 0.00 H new ATOM 0 HE2 LYS A 121 15.676 13.341 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 121 17.156 12.598 -7.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 16.422 14.338 -6.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 17.910 14.758 -7.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 16.476 15.478 -7.755 1.00 0.00 H new ATOM 944 N LYS A 122 16.808 9.756 -11.596 1.00 0.00 N ATOM 945 CA LYS A 122 17.428 8.453 -11.801 1.00 0.00 C ATOM 946 C LYS A 122 16.461 7.248 -11.433 1.00 0.00 C ATOM 947 O LYS A 122 16.208 6.320 -12.199 1.00 0.00 O ATOM 948 CB LYS A 122 18.512 8.583 -10.622 1.00 0.00 C ATOM 949 CG LYS A 122 19.817 9.158 -11.046 1.00 0.00 C ATOM 950 CD LYS A 122 20.808 9.541 -9.950 1.00 0.00 C ATOM 951 CE LYS A 122 21.005 11.064 -9.946 1.00 0.00 C ATOM 952 NZ LYS A 122 22.050 11.500 -9.004 1.00 0.00 N ATOM 0 H LYS A 122 17.330 10.314 -10.921 1.00 0.00 H new ATOM 0 HA LYS A 122 17.759 8.254 -12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 122 18.096 9.205 -9.829 1.00 0.00 H new ATOM 0 HB3 LYS A 122 18.686 7.595 -10.195 1.00 0.00 H new ATOM 0 HG2 LYS A 122 20.304 8.438 -11.703 1.00 0.00 H new ATOM 0 HG3 LYS A 122 19.615 10.048 -11.642 1.00 0.00 H new ATOM 0 HD2 LYS A 122 20.439 9.209 -8.980 1.00 0.00 H new ATOM 0 HD3 LYS A 122 21.762 9.041 -10.117 1.00 0.00 H new ATOM 0 HE2 LYS A 122 21.267 11.395 -10.951 1.00 0.00 H new ATOM 0 HE3 LYS A 122 20.063 11.547 -9.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 22.621 12.251 -9.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 21.606 11.864 -8.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 22.662 10.693 -8.767 1.00 0.00 H new ATOM 953 N TYR A 123 15.950 7.430 -10.226 1.00 0.00 N ATOM 954 CA TYR A 123 15.112 6.593 -9.379 1.00 0.00 C ATOM 955 C TYR A 123 13.646 6.752 -9.742 1.00 0.00 C ATOM 956 O TYR A 123 13.009 5.720 -9.967 1.00 0.00 O ATOM 957 CB TYR A 123 15.713 7.217 -8.085 1.00 0.00 C ATOM 958 CG TYR A 123 17.256 6.886 -7.821 1.00 0.00 C ATOM 959 CD1 TYR A 123 17.973 5.875 -8.490 1.00 0.00 C ATOM 960 CD2 TYR A 123 17.963 7.734 -6.997 1.00 0.00 C ATOM 961 CE1 TYR A 123 19.360 5.863 -8.456 1.00 0.00 C ATOM 962 CE2 TYR A 123 19.351 7.726 -6.960 1.00 0.00 C ATOM 963 CZ TYR A 123 20.062 6.783 -7.694 1.00 0.00 C ATOM 964 OH TYR A 123 21.419 6.870 -7.795 1.00 0.00 O ATOM 0 H TYR A 123 16.146 8.307 -9.744 1.00 0.00 H new ATOM 0 HA TYR A 123 15.116 5.503 -9.389 1.00 0.00 H new ATOM 0 HB2 TYR A 123 15.593 8.299 -8.134 1.00 0.00 H new ATOM 0 HB3 TYR A 123 15.132 6.870 -7.230 1.00 0.00 H new ATOM 0 HD1 TYR A 123 17.441 5.106 -9.031 1.00 0.00 H new ATOM 0 HD2 TYR A 123 17.424 8.423 -6.364 1.00 0.00 H new ATOM 0 HE1 TYR A 123 19.900 5.126 -9.032 1.00 0.00 H new ATOM 0 HE2 TYR A 123 19.879 8.453 -6.361 1.00 0.00 H new ATOM 0 HH TYR A 123 21.748 7.568 -7.191 1.00 0.00 H new ATOM 965 N CYS A 124 13.116 8.004 -9.860 1.00 0.00 N ATOM 966 CA CYS A 124 11.813 8.285 -10.498 1.00 0.00 C ATOM 967 C CYS A 124 11.475 9.771 -10.697 1.00 0.00 C ATOM 968 O CYS A 124 11.770 10.394 -11.716 1.00 0.00 O ATOM 969 CB CYS A 124 10.658 7.460 -9.975 1.00 0.00 C ATOM 970 SG CYS A 124 10.061 6.193 -11.061 1.00 0.00 S ATOM 971 OXT CYS A 124 10.790 10.319 -9.642 1.00 0.00 O ATOM 0 H CYS A 124 13.587 8.840 -9.513 1.00 0.00 H new ATOM 0 HA CYS A 124 11.972 7.922 -11.513 1.00 0.00 H new ATOM 0 HB2 CYS A 124 10.964 6.995 -9.038 1.00 0.00 H new ATOM 0 HB3 CYS A 124 9.832 8.132 -9.743 1.00 0.00 H new