USER MOD reduce.3.24.130724 H: found=0, std=0, add=459, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 459 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 35 TYR OH : rot -36:sc= 0.392 USER MOD Set 1.2: A 37 GLN : amide:sc= -1.38 K(o=-0.99,f=-3.1!) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -116:sc= 1.26 (180deg=-1.03) USER MOD Set 2.2: A 29 ASN : amide:sc= 0.361 K(o=1.6,f=-6.5!) USER MOD Single : A 1 VAL N :NH3+ 176:sc= -1.17 (180deg=-1.36) USER MOD Single : A 5 TYR OH : rot -176:sc= -0.374 USER MOD Single : A 8 LYS NZ :NH3+ -148:sc= -0.169 (180deg=-0.796) USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 ASN : amide:sc= -2.26 K(o=-2.3,f=-4.7!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 27 THR OG1 : rot -142:sc= 0.565 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot -41:sc= 0.016 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.15 F(o=-3.3!,f=-1.2) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 54 ASN : amide:sc= -0.96 X(o=-0.96,f=-0.91) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -4.03! C(o=-4!,f=-6.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -0.961 -13.674 -6.293 1.00 0.00 N ATOM 2 CA VAL A 1 -0.228 -12.657 -5.518 1.00 0.00 C ATOM 3 C VAL A 1 -0.368 -11.402 -6.396 1.00 0.00 C ATOM 4 O VAL A 1 -0.630 -11.564 -7.573 1.00 0.00 O ATOM 5 CB VAL A 1 1.279 -13.084 -5.374 1.00 0.00 C ATOM 6 CG1 VAL A 1 1.418 -14.286 -4.474 1.00 0.00 C ATOM 7 CG2 VAL A 1 1.929 -13.347 -6.716 1.00 0.00 C ATOM 0 H1 VAL A 1 -0.876 -14.597 -5.822 1.00 0.00 H new ATOM 0 H2 VAL A 1 -1.964 -13.407 -6.354 1.00 0.00 H new ATOM 0 H3 VAL A 1 -0.560 -13.736 -7.251 1.00 0.00 H new ATOM 0 HA VAL A 1 -0.601 -12.510 -4.504 1.00 0.00 H new ATOM 0 HB VAL A 1 1.803 -12.245 -4.917 1.00 0.00 H new ATOM 0 HG11 VAL A 1 2.470 -14.560 -4.392 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.027 -14.047 -3.485 1.00 0.00 H new ATOM 0 HG13 VAL A 1 0.857 -15.121 -4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 1 2.968 -13.639 -6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 1 1.397 -14.150 -7.227 1.00 0.00 H new ATOM 0 HG23 VAL A 1 1.890 -12.442 -7.323 1.00 0.00 H new ATOM 19 N ARG A 2 -0.213 -10.210 -5.872 1.00 0.00 N ATOM 20 CA ARG A 2 -0.353 -8.995 -6.747 1.00 0.00 C ATOM 21 C ARG A 2 0.545 -7.887 -6.254 1.00 0.00 C ATOM 22 O ARG A 2 1.018 -7.994 -5.141 1.00 0.00 O ATOM 23 CB ARG A 2 -1.819 -8.459 -6.770 1.00 0.00 C ATOM 24 CG ARG A 2 -2.388 -8.170 -5.342 1.00 0.00 C ATOM 25 CD ARG A 2 -2.851 -9.481 -4.706 1.00 0.00 C ATOM 26 NE ARG A 2 -3.600 -9.295 -3.414 1.00 0.00 N ATOM 27 CZ ARG A 2 -4.565 -10.113 -3.080 1.00 0.00 C ATOM 28 NH1 ARG A 2 -4.683 -11.272 -3.658 1.00 0.00 N ATOM 29 NH2 ARG A 2 -5.397 -9.775 -2.150 1.00 0.00 N ATOM 0 H ARG A 2 0.001 -10.023 -4.892 1.00 0.00 H new ATOM 0 HA ARG A 2 -0.070 -9.299 -7.755 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -1.856 -7.544 -7.362 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.458 -9.187 -7.269 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -1.624 -7.702 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -3.221 -7.469 -5.405 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -3.489 -10.012 -5.412 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -1.982 -10.113 -4.524 1.00 0.00 H new ATOM 0 HE ARG A 2 -3.353 -8.524 -2.793 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -4.019 -11.552 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.439 -11.901 -3.389 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -5.299 -8.875 -1.681 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.151 -10.409 -1.886 1.00 0.00 H new ATOM 43 N ASP A 3 0.725 -6.890 -7.066 1.00 0.00 N ATOM 44 CA ASP A 3 1.566 -5.721 -6.703 1.00 0.00 C ATOM 45 C ASP A 3 0.387 -4.742 -6.688 1.00 0.00 C ATOM 46 O ASP A 3 -0.458 -4.818 -7.570 1.00 0.00 O ATOM 47 CB ASP A 3 2.612 -5.401 -7.829 1.00 0.00 C ATOM 48 CG ASP A 3 3.678 -6.509 -7.978 1.00 0.00 C ATOM 49 OD1 ASP A 3 3.376 -7.656 -7.683 1.00 0.00 O ATOM 50 OD2 ASP A 3 4.762 -6.138 -8.385 1.00 0.00 O ATOM 0 H ASP A 3 0.311 -6.835 -7.996 1.00 0.00 H new ATOM 0 HA ASP A 3 2.192 -5.773 -5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 3 2.092 -5.272 -8.778 1.00 0.00 H new ATOM 0 HB3 ASP A 3 3.105 -4.455 -7.605 1.00 0.00 H new ATOM 55 N ALA A 4 0.362 -3.870 -5.713 1.00 0.00 N ATOM 56 CA ALA A 4 -0.772 -2.890 -5.612 1.00 0.00 C ATOM 57 C ALA A 4 -0.578 -1.925 -4.419 1.00 0.00 C ATOM 58 O ALA A 4 0.470 -1.895 -3.790 1.00 0.00 O ATOM 59 CB ALA A 4 -2.050 -3.676 -5.412 1.00 0.00 C ATOM 0 H ALA A 4 1.071 -3.791 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 4 -0.811 -2.293 -6.523 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -2.892 -2.988 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -2.203 -4.344 -6.260 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -1.977 -4.263 -4.497 1.00 0.00 H new ATOM 65 N TYR A 5 -1.628 -1.163 -4.165 1.00 0.00 N ATOM 66 CA TYR A 5 -1.649 -0.153 -3.034 1.00 0.00 C ATOM 67 C TYR A 5 -2.037 -1.072 -1.885 1.00 0.00 C ATOM 68 O TYR A 5 -3.059 -1.723 -2.008 1.00 0.00 O ATOM 69 CB TYR A 5 -2.769 0.926 -3.287 1.00 0.00 C ATOM 70 CG TYR A 5 -2.135 2.294 -3.659 1.00 0.00 C ATOM 71 CD1 TYR A 5 -1.087 2.373 -4.555 1.00 0.00 C ATOM 72 CD2 TYR A 5 -2.600 3.468 -3.106 1.00 0.00 C ATOM 73 CE1 TYR A 5 -0.515 3.585 -4.887 1.00 0.00 C ATOM 74 CE2 TYR A 5 -2.031 4.675 -3.435 1.00 0.00 C ATOM 75 CZ TYR A 5 -0.989 4.745 -4.324 1.00 0.00 C ATOM 76 OH TYR A 5 -0.455 5.975 -4.628 1.00 0.00 O ATOM 0 H TYR A 5 -2.492 -1.198 -4.705 1.00 0.00 H new ATOM 0 HA TYR A 5 -0.729 0.413 -2.888 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -3.427 0.594 -4.090 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -3.385 1.035 -2.394 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.707 1.468 -5.005 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -3.422 3.439 -2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 5 0.305 3.621 -5.589 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.410 5.582 -2.987 1.00 0.00 H new ATOM 0 HH TYR A 5 -0.886 6.663 -4.079 1.00 0.00 H new ATOM 86 N ILE A 6 -1.312 -1.123 -0.797 1.00 0.00 N ATOM 87 CA ILE A 6 -1.761 -2.068 0.274 1.00 0.00 C ATOM 88 C ILE A 6 -2.868 -1.442 1.089 1.00 0.00 C ATOM 89 O ILE A 6 -2.904 -0.257 1.359 1.00 0.00 O ATOM 90 CB ILE A 6 -0.557 -2.438 1.177 1.00 0.00 C ATOM 91 CG1 ILE A 6 -0.889 -3.508 2.248 1.00 0.00 C ATOM 92 CG2 ILE A 6 0.149 -1.244 1.767 1.00 0.00 C ATOM 93 CD1 ILE A 6 -0.138 -4.764 1.881 1.00 0.00 C ATOM 0 H ILE A 6 -0.469 -0.581 -0.606 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.149 -2.978 -0.185 1.00 0.00 H new ATOM 0 HB ILE A 6 0.156 -2.902 0.495 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.596 -3.162 3.239 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -1.962 -3.698 2.280 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.980 -1.582 2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.529 -0.612 0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -0.550 -0.673 2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.348 -5.541 2.615 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -0.454 -5.102 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.932 -4.557 1.868 1.00 0.00 H new ATOM 105 N ALA A 7 -3.756 -2.296 1.492 1.00 0.00 N ATOM 106 CA ALA A 7 -4.899 -1.781 2.286 1.00 0.00 C ATOM 107 C ALA A 7 -4.614 -1.615 3.761 1.00 0.00 C ATOM 108 O ALA A 7 -3.692 -2.185 4.318 1.00 0.00 O ATOM 109 CB ALA A 7 -6.077 -2.713 2.155 1.00 0.00 C ATOM 0 H ALA A 7 -3.746 -3.300 1.314 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.104 -0.792 1.877 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.912 -2.328 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.370 -2.784 1.108 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -5.801 -3.702 2.522 1.00 0.00 H new ATOM 115 N LYS A 8 -5.475 -0.815 4.315 1.00 0.00 N ATOM 116 CA LYS A 8 -5.400 -0.500 5.755 1.00 0.00 C ATOM 117 C LYS A 8 -6.636 -1.093 6.465 1.00 0.00 C ATOM 118 O LYS A 8 -6.521 -2.062 7.184 1.00 0.00 O ATOM 119 CB LYS A 8 -5.305 1.019 5.795 1.00 0.00 C ATOM 120 CG LYS A 8 -4.231 1.493 6.795 1.00 0.00 C ATOM 121 CD LYS A 8 -4.856 1.663 8.199 1.00 0.00 C ATOM 122 CE LYS A 8 -5.249 3.146 8.443 1.00 0.00 C ATOM 123 NZ LYS A 8 -4.019 4.010 8.423 1.00 0.00 N ATOM 0 H LYS A 8 -6.240 -0.360 3.817 1.00 0.00 H new ATOM 0 HA LYS A 8 -4.549 -0.931 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -5.069 1.396 4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.272 1.438 6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.416 0.771 6.836 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -3.803 2.438 6.461 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -5.737 1.027 8.291 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -4.147 1.338 8.961 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.949 3.477 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.757 3.244 9.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -4.147 4.812 9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -3.196 3.449 8.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.862 4.368 7.459 1.00 0.00 H new ATOM 137 N ASN A 9 -7.773 -0.494 6.247 1.00 0.00 N ATOM 138 CA ASN A 9 -9.051 -0.986 6.884 1.00 0.00 C ATOM 139 C ASN A 9 -10.165 -1.260 5.836 1.00 0.00 C ATOM 140 O ASN A 9 -10.559 -2.393 5.658 1.00 0.00 O ATOM 141 CB ASN A 9 -9.547 0.081 7.936 1.00 0.00 C ATOM 142 CG ASN A 9 -9.806 -0.588 9.308 1.00 0.00 C ATOM 143 OD1 ASN A 9 -10.567 -1.525 9.435 1.00 0.00 O ATOM 144 ND2 ASN A 9 -9.201 -0.145 10.373 1.00 0.00 N ATOM 0 H ASN A 9 -7.884 0.325 5.650 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.838 -1.934 7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -8.800 0.868 8.044 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -10.461 0.555 7.578 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -9.373 -0.584 11.277 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -8.555 0.641 10.303 1.00 0.00 H new ATOM 151 N TYR A 10 -10.647 -0.242 5.150 1.00 0.00 N ATOM 152 CA TYR A 10 -11.732 -0.406 4.121 1.00 0.00 C ATOM 153 C TYR A 10 -11.456 0.217 2.729 1.00 0.00 C ATOM 154 O TYR A 10 -12.087 1.138 2.236 1.00 0.00 O ATOM 155 CB TYR A 10 -13.042 0.180 4.718 1.00 0.00 C ATOM 156 CG TYR A 10 -13.954 -0.937 5.274 1.00 0.00 C ATOM 157 CD1 TYR A 10 -14.422 -1.925 4.429 1.00 0.00 C ATOM 158 CD2 TYR A 10 -14.324 -0.973 6.603 1.00 0.00 C ATOM 159 CE1 TYR A 10 -15.244 -2.927 4.902 1.00 0.00 C ATOM 160 CE2 TYR A 10 -15.145 -1.978 7.070 1.00 0.00 C ATOM 161 CZ TYR A 10 -15.612 -2.961 6.227 1.00 0.00 C ATOM 162 OH TYR A 10 -16.437 -3.960 6.704 1.00 0.00 O ATOM 0 H TYR A 10 -10.324 0.719 5.265 1.00 0.00 H new ATOM 0 HA TYR A 10 -11.800 -1.474 3.916 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -12.799 0.884 5.514 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -13.576 0.740 3.950 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -14.141 -1.913 3.386 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -13.969 -0.211 7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -15.601 -3.690 4.227 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -15.426 -1.994 8.113 1.00 0.00 H new ATOM 0 HH TYR A 10 -16.591 -3.827 7.663 1.00 0.00 H new ATOM 172 N ASN A 11 -10.466 -0.349 2.111 1.00 0.00 N ATOM 173 CA ASN A 11 -10.023 0.081 0.738 1.00 0.00 C ATOM 174 C ASN A 11 -9.344 1.449 0.775 1.00 0.00 C ATOM 175 O ASN A 11 -9.513 2.307 -0.072 1.00 0.00 O ATOM 176 CB ASN A 11 -11.289 0.068 -0.224 1.00 0.00 C ATOM 177 CG ASN A 11 -10.974 -0.634 -1.554 1.00 0.00 C ATOM 178 OD1 ASN A 11 -11.396 -0.241 -2.616 1.00 0.00 O ATOM 179 ND2 ASN A 11 -10.238 -1.698 -1.558 1.00 0.00 N ATOM 0 H ASN A 11 -9.921 -1.117 2.503 1.00 0.00 H new ATOM 0 HA ASN A 11 -9.276 -0.615 0.355 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -12.118 -0.439 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.611 1.091 -0.418 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -10.033 -2.173 -2.437 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.863 -2.062 -0.682 1.00 0.00 H new ATOM 186 N CYS A 12 -8.561 1.552 1.812 1.00 0.00 N ATOM 187 CA CYS A 12 -7.747 2.758 2.129 1.00 0.00 C ATOM 188 C CYS A 12 -6.349 2.167 2.262 1.00 0.00 C ATOM 189 O CYS A 12 -6.237 0.961 2.363 1.00 0.00 O ATOM 190 CB CYS A 12 -8.129 3.366 3.446 1.00 0.00 C ATOM 191 SG CYS A 12 -8.462 5.138 3.483 1.00 0.00 S ATOM 0 H CYS A 12 -8.448 0.801 2.493 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.862 3.544 1.383 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.018 2.850 3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -7.328 3.160 4.156 1.00 0.00 H new ATOM 196 N VAL A 13 -5.368 3.016 2.293 1.00 0.00 N ATOM 197 CA VAL A 13 -3.930 2.574 2.411 1.00 0.00 C ATOM 198 C VAL A 13 -3.191 3.225 3.613 1.00 0.00 C ATOM 199 O VAL A 13 -3.840 3.682 4.533 1.00 0.00 O ATOM 200 CB VAL A 13 -3.173 2.927 1.082 1.00 0.00 C ATOM 201 CG1 VAL A 13 -3.606 2.171 -0.147 1.00 0.00 C ATOM 202 CG2 VAL A 13 -3.345 4.393 0.764 1.00 0.00 C ATOM 0 H VAL A 13 -5.492 4.027 2.241 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.936 1.498 2.585 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.142 2.642 1.292 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.015 2.498 -1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.456 1.103 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.661 2.364 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.817 4.629 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.405 4.617 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.938 4.992 1.578 1.00 0.00 H new ATOM 212 N TYR A 14 -1.877 3.237 3.559 1.00 0.00 N ATOM 213 CA TYR A 14 -0.971 3.803 4.593 1.00 0.00 C ATOM 214 C TYR A 14 -0.343 5.097 4.062 1.00 0.00 C ATOM 215 O TYR A 14 -0.507 5.438 2.909 1.00 0.00 O ATOM 216 CB TYR A 14 0.141 2.831 4.853 1.00 0.00 C ATOM 217 CG TYR A 14 -0.342 1.555 5.595 1.00 0.00 C ATOM 218 CD1 TYR A 14 -0.778 0.474 4.870 1.00 0.00 C ATOM 219 CD2 TYR A 14 -0.357 1.465 6.976 1.00 0.00 C ATOM 220 CE1 TYR A 14 -1.220 -0.673 5.491 1.00 0.00 C ATOM 221 CE2 TYR A 14 -0.802 0.309 7.605 1.00 0.00 C ATOM 222 CZ TYR A 14 -1.239 -0.769 6.862 1.00 0.00 C ATOM 223 OH TYR A 14 -1.699 -1.915 7.471 1.00 0.00 O ATOM 0 H TYR A 14 -1.367 2.841 2.769 1.00 0.00 H new ATOM 0 HA TYR A 14 -1.539 3.997 5.503 1.00 0.00 H new ATOM 0 HB2 TYR A 14 0.597 2.545 3.905 1.00 0.00 H new ATOM 0 HB3 TYR A 14 0.915 3.320 5.445 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.774 0.524 3.791 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.020 2.301 7.570 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -1.556 -1.507 4.893 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -0.806 0.253 8.684 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.642 -1.814 8.444 1.00 0.00 H new ATOM 233 N GLU A 15 0.363 5.756 4.933 1.00 0.00 N ATOM 234 CA GLU A 15 1.049 7.025 4.581 1.00 0.00 C ATOM 235 C GLU A 15 2.529 6.915 4.913 1.00 0.00 C ATOM 236 O GLU A 15 2.925 6.937 6.063 1.00 0.00 O ATOM 237 CB GLU A 15 0.421 8.167 5.382 1.00 0.00 C ATOM 238 CG GLU A 15 -0.963 8.468 4.790 1.00 0.00 C ATOM 239 CD GLU A 15 -1.743 9.357 5.760 1.00 0.00 C ATOM 240 OE1 GLU A 15 -2.059 8.854 6.829 1.00 0.00 O ATOM 241 OE2 GLU A 15 -1.971 10.483 5.364 1.00 0.00 O ATOM 0 H GLU A 15 0.496 5.459 5.900 1.00 0.00 H new ATOM 0 HA GLU A 15 0.939 7.222 3.514 1.00 0.00 H new ATOM 0 HB2 GLU A 15 0.332 7.890 6.432 1.00 0.00 H new ATOM 0 HB3 GLU A 15 1.053 9.054 5.339 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -0.859 8.965 3.826 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -1.506 7.539 4.613 1.00 0.00 H new ATOM 248 N CYS A 16 3.307 6.783 3.881 1.00 0.00 N ATOM 249 CA CYS A 16 4.782 6.667 4.054 1.00 0.00 C ATOM 250 C CYS A 16 5.503 7.785 3.290 1.00 0.00 C ATOM 251 O CYS A 16 4.972 8.387 2.377 1.00 0.00 O ATOM 252 CB CYS A 16 5.209 5.311 3.529 1.00 0.00 C ATOM 253 SG CYS A 16 4.467 4.879 1.936 1.00 0.00 S ATOM 0 H CYS A 16 2.984 6.750 2.914 1.00 0.00 H new ATOM 0 HA CYS A 16 5.044 6.764 5.108 1.00 0.00 H new ATOM 0 HB2 CYS A 16 6.294 5.295 3.430 1.00 0.00 H new ATOM 0 HB3 CYS A 16 4.945 4.548 4.261 1.00 0.00 H new ATOM 258 N PHE A 17 6.716 8.009 3.721 1.00 0.00 N ATOM 259 CA PHE A 17 7.603 9.057 3.104 1.00 0.00 C ATOM 260 C PHE A 17 8.967 8.462 2.721 1.00 0.00 C ATOM 261 O PHE A 17 9.812 9.126 2.153 1.00 0.00 O ATOM 262 CB PHE A 17 7.842 10.229 4.072 1.00 0.00 C ATOM 263 CG PHE A 17 7.039 11.478 3.637 1.00 0.00 C ATOM 264 CD1 PHE A 17 7.435 12.221 2.534 1.00 0.00 C ATOM 265 CD2 PHE A 17 5.915 11.877 4.335 1.00 0.00 C ATOM 266 CE1 PHE A 17 6.719 13.336 2.143 1.00 0.00 C ATOM 267 CE2 PHE A 17 5.202 12.991 3.941 1.00 0.00 C ATOM 268 CZ PHE A 17 5.601 13.723 2.846 1.00 0.00 C ATOM 0 H PHE A 17 7.145 7.500 4.494 1.00 0.00 H new ATOM 0 HA PHE A 17 7.091 9.420 2.213 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.550 9.938 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 17 8.905 10.468 4.104 1.00 0.00 H new ATOM 0 HD1 PHE A 17 8.311 11.925 1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.592 11.312 5.197 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.038 13.906 1.283 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.325 13.290 4.496 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.041 14.595 2.541 1.00 0.00 H new ATOM 278 N ARG A 18 9.125 7.211 3.071 1.00 0.00 N ATOM 279 CA ARG A 18 10.371 6.425 2.795 1.00 0.00 C ATOM 280 C ARG A 18 9.920 5.110 2.231 1.00 0.00 C ATOM 281 O ARG A 18 8.826 4.658 2.499 1.00 0.00 O ATOM 282 CB ARG A 18 11.226 6.068 4.062 1.00 0.00 C ATOM 283 CG ARG A 18 12.569 6.843 4.066 1.00 0.00 C ATOM 284 CD ARG A 18 12.344 8.357 3.998 1.00 0.00 C ATOM 285 NE ARG A 18 11.560 8.820 5.200 1.00 0.00 N ATOM 286 CZ ARG A 18 11.881 9.943 5.769 1.00 0.00 C ATOM 287 NH1 ARG A 18 12.213 10.879 4.939 1.00 0.00 N ATOM 288 NH2 ARG A 18 11.858 10.080 7.062 1.00 0.00 N ATOM 0 H ARG A 18 8.407 6.677 3.560 1.00 0.00 H new ATOM 0 HA ARG A 18 10.993 7.039 2.143 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.662 6.307 4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.421 4.996 4.082 1.00 0.00 H new ATOM 0 HG2 ARG A 18 13.129 6.598 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 18 13.176 6.526 3.218 1.00 0.00 H new ATOM 0 HD2 ARG A 18 13.303 8.873 3.959 1.00 0.00 H new ATOM 0 HD3 ARG A 18 11.807 8.612 3.084 1.00 0.00 H new ATOM 0 HE ARG A 18 10.788 8.259 5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 18 12.206 10.697 3.935 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.482 11.799 5.288 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.584 9.295 7.653 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.114 10.972 7.485 1.00 0.00 H new ATOM 302 N ASP A 19 10.835 4.559 1.506 1.00 0.00 N ATOM 303 CA ASP A 19 10.615 3.256 0.845 1.00 0.00 C ATOM 304 C ASP A 19 10.700 2.115 1.848 1.00 0.00 C ATOM 305 O ASP A 19 9.924 1.180 1.884 1.00 0.00 O ATOM 306 CB ASP A 19 11.675 3.157 -0.245 1.00 0.00 C ATOM 307 CG ASP A 19 11.139 2.279 -1.380 1.00 0.00 C ATOM 308 OD1 ASP A 19 10.027 2.575 -1.770 1.00 0.00 O ATOM 309 OD2 ASP A 19 11.849 1.386 -1.804 1.00 0.00 O ATOM 0 H ASP A 19 11.754 4.968 1.338 1.00 0.00 H new ATOM 0 HA ASP A 19 9.618 3.182 0.412 1.00 0.00 H new ATOM 0 HB2 ASP A 19 11.923 4.150 -0.621 1.00 0.00 H new ATOM 0 HB3 ASP A 19 12.593 2.731 0.160 1.00 0.00 H new ATOM 314 N SER A 20 11.694 2.246 2.676 1.00 0.00 N ATOM 315 CA SER A 20 11.979 1.243 3.741 1.00 0.00 C ATOM 316 C SER A 20 10.755 0.787 4.518 1.00 0.00 C ATOM 317 O SER A 20 10.474 -0.392 4.615 1.00 0.00 O ATOM 318 CB SER A 20 13.019 1.856 4.702 1.00 0.00 C ATOM 319 OG SER A 20 13.988 2.369 3.793 1.00 0.00 O ATOM 0 H SER A 20 12.343 3.032 2.659 1.00 0.00 H new ATOM 0 HA SER A 20 12.355 0.345 3.252 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.588 2.639 5.325 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.443 1.111 5.375 1.00 0.00 H new ATOM 0 HG SER A 20 14.715 2.794 4.295 1.00 0.00 H new ATOM 325 N TYR A 21 10.075 1.771 5.037 1.00 0.00 N ATOM 326 CA TYR A 21 8.848 1.528 5.843 1.00 0.00 C ATOM 327 C TYR A 21 8.076 0.423 5.181 1.00 0.00 C ATOM 328 O TYR A 21 7.797 -0.609 5.751 1.00 0.00 O ATOM 329 CB TYR A 21 7.981 2.802 5.888 1.00 0.00 C ATOM 330 CG TYR A 21 7.257 2.745 7.234 1.00 0.00 C ATOM 331 CD1 TYR A 21 7.884 3.236 8.358 1.00 0.00 C ATOM 332 CD2 TYR A 21 6.005 2.178 7.348 1.00 0.00 C ATOM 333 CE1 TYR A 21 7.270 3.157 9.583 1.00 0.00 C ATOM 334 CE2 TYR A 21 5.394 2.101 8.575 1.00 0.00 C ATOM 335 CZ TYR A 21 6.023 2.589 9.699 1.00 0.00 C ATOM 336 OH TYR A 21 5.429 2.511 10.939 1.00 0.00 O ATOM 0 H TYR A 21 10.325 2.755 4.933 1.00 0.00 H new ATOM 0 HA TYR A 21 9.118 1.256 6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 21 8.595 3.699 5.808 1.00 0.00 H new ATOM 0 HB3 TYR A 21 7.272 2.826 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 21 8.863 3.685 8.275 1.00 0.00 H new ATOM 0 HD2 TYR A 21 5.505 1.794 6.471 1.00 0.00 H new ATOM 0 HE1 TYR A 21 7.769 3.543 10.460 1.00 0.00 H new ATOM 0 HE2 TYR A 21 4.414 1.655 8.659 1.00 0.00 H new ATOM 0 HH TYR A 21 4.550 2.085 10.855 1.00 0.00 H new ATOM 346 N CYS A 22 7.790 0.718 3.951 1.00 0.00 N ATOM 347 CA CYS A 22 7.029 -0.224 3.118 1.00 0.00 C ATOM 348 C CYS A 22 7.783 -1.531 3.021 1.00 0.00 C ATOM 349 O CYS A 22 7.176 -2.550 3.273 1.00 0.00 O ATOM 350 CB CYS A 22 6.844 0.433 1.799 1.00 0.00 C ATOM 351 SG CYS A 22 5.997 2.025 1.899 1.00 0.00 S ATOM 0 H CYS A 22 8.058 1.586 3.486 1.00 0.00 H new ATOM 0 HA CYS A 22 6.053 -0.464 3.540 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.819 0.578 1.334 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.276 -0.231 1.148 1.00 0.00 H new ATOM 356 N ASN A 23 9.040 -1.460 2.661 1.00 0.00 N ATOM 357 CA ASN A 23 9.897 -2.699 2.544 1.00 0.00 C ATOM 358 C ASN A 23 9.732 -3.590 3.789 1.00 0.00 C ATOM 359 O ASN A 23 9.966 -4.778 3.712 1.00 0.00 O ATOM 360 CB ASN A 23 11.413 -2.384 2.442 1.00 0.00 C ATOM 361 CG ASN A 23 12.134 -3.703 2.196 1.00 0.00 C ATOM 362 OD1 ASN A 23 12.033 -4.325 1.163 1.00 0.00 O ATOM 363 ND2 ASN A 23 12.887 -4.188 3.121 1.00 0.00 N ATOM 0 H ASN A 23 9.522 -0.589 2.439 1.00 0.00 H new ATOM 0 HA ASN A 23 9.561 -3.193 1.632 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.606 -1.683 1.630 1.00 0.00 H new ATOM 0 HB3 ASN A 23 11.771 -1.916 3.359 1.00 0.00 H new ATOM 0 HD21 ASN A 23 13.376 -5.071 2.970 1.00 0.00 H new ATOM 0 HD22 ASN A 23 12.995 -3.690 4.004 1.00 0.00 H new ATOM 370 N ASP A 24 9.364 -2.987 4.892 1.00 0.00 N ATOM 371 CA ASP A 24 9.157 -3.709 6.185 1.00 0.00 C ATOM 372 C ASP A 24 7.660 -4.099 6.295 1.00 0.00 C ATOM 373 O ASP A 24 7.270 -5.219 6.560 1.00 0.00 O ATOM 374 CB ASP A 24 9.594 -2.739 7.305 1.00 0.00 C ATOM 375 CG ASP A 24 10.749 -3.329 8.119 1.00 0.00 C ATOM 376 OD1 ASP A 24 10.486 -4.302 8.799 1.00 0.00 O ATOM 377 OD2 ASP A 24 11.834 -2.782 8.013 1.00 0.00 O ATOM 0 H ASP A 24 9.192 -1.983 4.950 1.00 0.00 H new ATOM 0 HA ASP A 24 9.739 -4.628 6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 24 9.900 -1.788 6.869 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.749 -2.532 7.962 1.00 0.00 H new ATOM 382 N LEU A 25 6.839 -3.117 6.092 1.00 0.00 N ATOM 383 CA LEU A 25 5.347 -3.269 6.136 1.00 0.00 C ATOM 384 C LEU A 25 4.823 -4.418 5.244 1.00 0.00 C ATOM 385 O LEU A 25 4.194 -5.373 5.663 1.00 0.00 O ATOM 386 CB LEU A 25 4.736 -1.919 5.661 1.00 0.00 C ATOM 387 CG LEU A 25 3.177 -1.952 5.560 1.00 0.00 C ATOM 388 CD1 LEU A 25 2.601 -1.859 6.944 1.00 0.00 C ATOM 389 CD2 LEU A 25 2.680 -0.764 4.771 1.00 0.00 C ATOM 0 H LEU A 25 7.147 -2.167 5.887 1.00 0.00 H new ATOM 0 HA LEU A 25 5.053 -3.521 7.155 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.032 -1.130 6.352 1.00 0.00 H new ATOM 0 HB3 LEU A 25 5.152 -1.662 4.687 1.00 0.00 H new ATOM 0 HG LEU A 25 2.874 -2.876 5.067 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.513 -1.881 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.950 -2.701 7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.921 -0.927 7.410 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.592 -0.798 4.708 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.986 0.157 5.268 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.103 -0.792 3.767 1.00 0.00 H new ATOM 401 N CYS A 26 5.128 -4.267 3.992 1.00 0.00 N ATOM 402 CA CYS A 26 4.707 -5.260 2.966 1.00 0.00 C ATOM 403 C CYS A 26 5.086 -6.684 3.334 1.00 0.00 C ATOM 404 O CYS A 26 4.268 -7.583 3.469 1.00 0.00 O ATOM 405 CB CYS A 26 5.356 -4.830 1.669 1.00 0.00 C ATOM 406 SG CYS A 26 4.843 -3.220 1.032 1.00 0.00 S ATOM 0 H CYS A 26 5.663 -3.480 3.625 1.00 0.00 H new ATOM 0 HA CYS A 26 3.620 -5.276 2.882 1.00 0.00 H new ATOM 0 HB2 CYS A 26 6.436 -4.816 1.812 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.145 -5.584 0.911 1.00 0.00 H new ATOM 411 N THR A 27 6.358 -6.818 3.518 1.00 0.00 N ATOM 412 CA THR A 27 6.977 -8.108 3.881 1.00 0.00 C ATOM 413 C THR A 27 6.311 -8.578 5.177 1.00 0.00 C ATOM 414 O THR A 27 5.980 -9.740 5.297 1.00 0.00 O ATOM 415 CB THR A 27 8.453 -7.776 3.954 1.00 0.00 C ATOM 416 OG1 THR A 27 8.403 -6.662 4.829 1.00 0.00 O ATOM 417 CG2 THR A 27 8.933 -7.195 2.640 1.00 0.00 C ATOM 0 H THR A 27 7.023 -6.050 3.427 1.00 0.00 H new ATOM 0 HA THR A 27 6.849 -8.943 3.192 1.00 0.00 H new ATOM 0 HB THR A 27 9.075 -8.630 4.222 1.00 0.00 H new ATOM 0 HG1 THR A 27 9.055 -5.990 4.540 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.996 -6.963 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.773 -7.920 1.842 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.376 -6.284 2.420 1.00 0.00 H new ATOM 425 N LYS A 28 6.133 -7.694 6.129 1.00 0.00 N ATOM 426 CA LYS A 28 5.466 -8.076 7.416 1.00 0.00 C ATOM 427 C LYS A 28 4.128 -8.773 7.099 1.00 0.00 C ATOM 428 O LYS A 28 3.735 -9.692 7.793 1.00 0.00 O ATOM 429 CB LYS A 28 5.257 -6.797 8.270 1.00 0.00 C ATOM 430 CG LYS A 28 4.480 -7.082 9.610 1.00 0.00 C ATOM 431 CD LYS A 28 2.934 -7.045 9.357 1.00 0.00 C ATOM 432 CE LYS A 28 2.243 -8.348 9.865 1.00 0.00 C ATOM 433 NZ LYS A 28 0.897 -8.518 9.206 1.00 0.00 N ATOM 0 H LYS A 28 6.423 -6.718 6.070 1.00 0.00 H new ATOM 0 HA LYS A 28 6.084 -8.770 7.985 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.227 -6.358 8.503 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.706 -6.060 7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.768 -8.056 10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 28 4.751 -6.340 10.361 1.00 0.00 H new ATOM 0 HD2 LYS A 28 2.502 -6.181 9.862 1.00 0.00 H new ATOM 0 HD3 LYS A 28 2.741 -6.921 8.291 1.00 0.00 H new ATOM 0 HE2 LYS A 28 2.873 -9.210 9.648 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.123 -8.306 10.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 0.149 -8.467 9.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.755 -7.762 8.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.857 -9.442 8.731 1.00 0.00 H new ATOM 447 N ASN A 29 3.442 -8.335 6.071 1.00 0.00 N ATOM 448 CA ASN A 29 2.151 -9.030 5.783 1.00 0.00 C ATOM 449 C ASN A 29 2.365 -10.270 4.919 1.00 0.00 C ATOM 450 O ASN A 29 1.440 -11.013 4.645 1.00 0.00 O ATOM 451 CB ASN A 29 1.198 -8.047 5.095 1.00 0.00 C ATOM 452 CG ASN A 29 0.037 -7.966 6.073 1.00 0.00 C ATOM 453 OD1 ASN A 29 0.034 -7.191 7.015 1.00 0.00 O ATOM 454 ND2 ASN A 29 -0.948 -8.791 5.876 1.00 0.00 N ATOM 0 H ASN A 29 3.701 -7.569 5.449 1.00 0.00 H new ATOM 0 HA ASN A 29 1.714 -9.366 6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 29 1.664 -7.074 4.938 1.00 0.00 H new ATOM 0 HB3 ASN A 29 0.879 -8.409 4.118 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.743 -8.798 6.515 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.926 -9.431 5.082 1.00 0.00 H new ATOM 461 N GLY A 30 3.592 -10.431 4.523 1.00 0.00 N ATOM 462 CA GLY A 30 4.030 -11.579 3.680 1.00 0.00 C ATOM 463 C GLY A 30 4.148 -11.198 2.219 1.00 0.00 C ATOM 464 O GLY A 30 4.005 -12.055 1.372 1.00 0.00 O ATOM 0 H GLY A 30 4.345 -9.785 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.992 -11.945 4.038 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.318 -12.398 3.785 1.00 0.00 H new ATOM 468 N ALA A 31 4.408 -9.949 1.944 1.00 0.00 N ATOM 469 CA ALA A 31 4.535 -9.505 0.527 1.00 0.00 C ATOM 470 C ALA A 31 5.925 -9.868 0.058 1.00 0.00 C ATOM 471 O ALA A 31 6.821 -10.047 0.862 1.00 0.00 O ATOM 472 CB ALA A 31 4.396 -8.008 0.430 1.00 0.00 C ATOM 0 H ALA A 31 4.538 -9.216 2.641 1.00 0.00 H new ATOM 0 HA ALA A 31 3.760 -9.981 -0.074 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.491 -7.700 -0.611 1.00 0.00 H new ATOM 0 HB2 ALA A 31 3.419 -7.708 0.809 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.177 -7.531 1.022 1.00 0.00 H new ATOM 478 N SER A 32 6.041 -9.947 -1.231 1.00 0.00 N ATOM 479 CA SER A 32 7.358 -10.291 -1.818 1.00 0.00 C ATOM 480 C SER A 32 8.266 -9.062 -1.600 1.00 0.00 C ATOM 481 O SER A 32 9.366 -9.210 -1.109 1.00 0.00 O ATOM 482 CB SER A 32 7.103 -10.614 -3.280 1.00 0.00 C ATOM 483 OG SER A 32 8.168 -11.472 -3.651 1.00 0.00 O ATOM 0 H SER A 32 5.288 -9.790 -1.900 1.00 0.00 H new ATOM 0 HA SER A 32 7.852 -11.152 -1.369 1.00 0.00 H new ATOM 0 HB2 SER A 32 6.137 -11.101 -3.415 1.00 0.00 H new ATOM 0 HB3 SER A 32 7.092 -9.710 -3.889 1.00 0.00 H new ATOM 0 HG SER A 32 8.070 -11.727 -4.592 1.00 0.00 H new ATOM 489 N SER A 33 7.784 -7.900 -1.956 1.00 0.00 N ATOM 490 CA SER A 33 8.624 -6.658 -1.764 1.00 0.00 C ATOM 491 C SER A 33 7.709 -5.532 -1.285 1.00 0.00 C ATOM 492 O SER A 33 6.509 -5.659 -1.440 1.00 0.00 O ATOM 493 CB SER A 33 9.292 -6.236 -3.100 1.00 0.00 C ATOM 494 OG SER A 33 10.125 -7.325 -3.463 1.00 0.00 O ATOM 0 H SER A 33 6.862 -7.748 -2.365 1.00 0.00 H new ATOM 0 HA SER A 33 9.408 -6.861 -1.034 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.544 -6.040 -3.869 1.00 0.00 H new ATOM 0 HB3 SER A 33 9.872 -5.321 -2.978 1.00 0.00 H new ATOM 0 HG SER A 33 10.579 -7.122 -4.307 1.00 0.00 H new ATOM 500 N GLY A 34 8.290 -4.489 -0.741 1.00 0.00 N ATOM 501 CA GLY A 34 7.511 -3.309 -0.237 1.00 0.00 C ATOM 502 C GLY A 34 8.220 -1.999 -0.608 1.00 0.00 C ATOM 503 O GLY A 34 9.408 -1.892 -0.374 1.00 0.00 O ATOM 0 H GLY A 34 9.299 -4.403 -0.622 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.508 -3.320 -0.663 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.399 -3.375 0.845 1.00 0.00 H new ATOM 507 N TYR A 35 7.490 -1.065 -1.166 1.00 0.00 N ATOM 508 CA TYR A 35 8.057 0.265 -1.579 1.00 0.00 C ATOM 509 C TYR A 35 6.992 1.339 -1.258 1.00 0.00 C ATOM 510 O TYR A 35 5.859 0.982 -1.003 1.00 0.00 O ATOM 511 CB TYR A 35 8.357 0.054 -3.057 1.00 0.00 C ATOM 512 CG TYR A 35 8.649 1.264 -3.930 1.00 0.00 C ATOM 513 CD1 TYR A 35 7.639 2.148 -4.153 1.00 0.00 C ATOM 514 CD2 TYR A 35 9.886 1.472 -4.518 1.00 0.00 C ATOM 515 CE1 TYR A 35 7.837 3.223 -4.948 1.00 0.00 C ATOM 516 CE2 TYR A 35 10.083 2.568 -5.328 1.00 0.00 C ATOM 517 CZ TYR A 35 9.038 3.444 -5.542 1.00 0.00 C ATOM 518 OH TYR A 35 9.127 4.543 -6.365 1.00 0.00 O ATOM 0 H TYR A 35 6.494 -1.169 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 35 8.959 0.606 -1.072 1.00 0.00 H new ATOM 0 HB2 TYR A 35 9.214 -0.616 -3.126 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.507 -0.469 -3.494 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.675 1.990 -3.693 1.00 0.00 H new ATOM 0 HD2 TYR A 35 10.693 0.777 -4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.027 3.918 -5.114 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.044 2.740 -5.790 1.00 0.00 H new ATOM 0 HH TYR A 35 8.282 4.660 -6.848 1.00 0.00 H new ATOM 528 N CYS A 36 7.304 2.605 -1.284 1.00 0.00 N ATOM 529 CA CYS A 36 6.249 3.621 -0.967 1.00 0.00 C ATOM 530 C CYS A 36 6.015 4.330 -2.303 1.00 0.00 C ATOM 531 O CYS A 36 6.966 4.784 -2.906 1.00 0.00 O ATOM 532 CB CYS A 36 6.774 4.604 0.057 1.00 0.00 C ATOM 533 SG CYS A 36 5.592 5.863 0.581 1.00 0.00 S ATOM 0 H CYS A 36 8.226 2.980 -1.506 1.00 0.00 H new ATOM 0 HA CYS A 36 5.341 3.181 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.104 4.049 0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.652 5.101 -0.355 1.00 0.00 H new ATOM 538 N GLN A 37 4.800 4.439 -2.741 1.00 0.00 N ATOM 539 CA GLN A 37 4.492 5.099 -4.036 1.00 0.00 C ATOM 540 C GLN A 37 3.371 6.108 -3.787 1.00 0.00 C ATOM 541 O GLN A 37 2.815 6.205 -2.710 1.00 0.00 O ATOM 542 CB GLN A 37 4.061 3.983 -5.024 1.00 0.00 C ATOM 543 CG GLN A 37 4.070 4.379 -6.523 1.00 0.00 C ATOM 544 CD GLN A 37 5.481 4.779 -6.965 1.00 0.00 C ATOM 545 OE1 GLN A 37 6.367 3.991 -7.204 1.00 0.00 O ATOM 546 NE2 GLN A 37 5.786 6.026 -7.097 1.00 0.00 N ATOM 0 H GLN A 37 3.982 4.089 -2.242 1.00 0.00 H new ATOM 0 HA GLN A 37 5.344 5.633 -4.458 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.722 3.127 -4.888 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.056 3.655 -4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.716 3.544 -7.128 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.382 5.208 -6.690 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.086 6.745 -6.911 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.727 6.293 -7.387 1.00 0.00 H new ATOM 555 N TRP A 38 3.050 6.864 -4.789 1.00 0.00 N ATOM 556 CA TRP A 38 1.963 7.864 -4.648 1.00 0.00 C ATOM 557 C TRP A 38 1.377 8.088 -6.023 1.00 0.00 C ATOM 558 O TRP A 38 2.065 7.925 -7.015 1.00 0.00 O ATOM 559 CB TRP A 38 2.533 9.181 -4.045 1.00 0.00 C ATOM 560 CG TRP A 38 3.943 9.450 -4.539 1.00 0.00 C ATOM 561 CD1 TRP A 38 4.366 9.501 -5.837 1.00 0.00 C ATOM 562 CD2 TRP A 38 4.998 9.670 -3.727 1.00 0.00 C ATOM 563 NE1 TRP A 38 5.648 9.751 -5.730 1.00 0.00 N ATOM 564 CE2 TRP A 38 6.127 9.871 -4.506 1.00 0.00 C ATOM 565 CE3 TRP A 38 5.072 9.721 -2.340 1.00 0.00 C ATOM 566 CZ2 TRP A 38 7.358 10.123 -3.891 1.00 0.00 C ATOM 567 CZ3 TRP A 38 6.291 9.971 -1.722 1.00 0.00 C ATOM 568 CH2 TRP A 38 7.435 10.173 -2.492 1.00 0.00 C ATOM 0 H TRP A 38 3.495 6.834 -5.706 1.00 0.00 H new ATOM 0 HA TRP A 38 1.184 7.513 -3.971 1.00 0.00 H new ATOM 0 HB2 TRP A 38 1.886 10.016 -4.314 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.533 9.115 -2.957 1.00 0.00 H new ATOM 0 HD1 TRP A 38 3.783 9.367 -6.736 1.00 0.00 H new ATOM 0 HE1 TRP A 38 6.245 9.848 -6.551 1.00 0.00 H new ATOM 0 HE3 TRP A 38 4.184 9.567 -1.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.243 10.278 -4.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 6.352 10.009 -0.644 1.00 0.00 H new ATOM 0 HH2 TRP A 38 8.382 10.368 -2.010 1.00 0.00 H new ATOM 579 N ALA A 39 0.121 8.437 -6.014 1.00 0.00 N ATOM 580 CA ALA A 39 -0.636 8.703 -7.258 1.00 0.00 C ATOM 581 C ALA A 39 -1.395 10.025 -7.113 1.00 0.00 C ATOM 582 O ALA A 39 -1.060 11.028 -7.704 1.00 0.00 O ATOM 583 CB ALA A 39 -1.582 7.552 -7.501 1.00 0.00 C ATOM 0 H ALA A 39 -0.427 8.551 -5.161 1.00 0.00 H new ATOM 0 HA ALA A 39 0.037 8.790 -8.111 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.148 7.733 -8.415 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -1.012 6.628 -7.604 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.270 7.463 -6.660 1.00 0.00 H new ATOM 589 N GLY A 40 -2.414 9.967 -6.309 1.00 0.00 N ATOM 590 CA GLY A 40 -3.248 11.185 -6.068 1.00 0.00 C ATOM 591 C GLY A 40 -4.646 10.753 -5.686 1.00 0.00 C ATOM 592 O GLY A 40 -5.051 10.998 -4.570 1.00 0.00 O ATOM 0 H GLY A 40 -2.711 9.131 -5.805 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.810 11.791 -5.274 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.277 11.806 -6.964 1.00 0.00 H new ATOM 596 N LYS A 41 -5.369 10.120 -6.576 1.00 0.00 N ATOM 597 CA LYS A 41 -6.763 9.674 -6.226 1.00 0.00 C ATOM 598 C LYS A 41 -6.756 8.888 -4.897 1.00 0.00 C ATOM 599 O LYS A 41 -7.712 8.902 -4.146 1.00 0.00 O ATOM 600 CB LYS A 41 -7.343 8.759 -7.360 1.00 0.00 C ATOM 601 CG LYS A 41 -8.899 8.728 -7.235 1.00 0.00 C ATOM 602 CD LYS A 41 -9.449 10.097 -7.734 1.00 0.00 C ATOM 603 CE LYS A 41 -10.842 10.405 -7.175 1.00 0.00 C ATOM 604 NZ LYS A 41 -11.256 11.759 -7.666 1.00 0.00 N ATOM 0 H LYS A 41 -5.063 9.892 -7.522 1.00 0.00 H new ATOM 0 HA LYS A 41 -7.388 10.561 -6.120 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.051 9.140 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.937 7.751 -7.276 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.313 7.912 -7.828 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.195 8.553 -6.201 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -8.760 10.890 -7.443 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.490 10.094 -8.823 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -11.557 9.649 -7.499 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -10.827 10.384 -6.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -12.201 11.988 -7.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -10.574 12.471 -7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.281 11.759 -8.706 1.00 0.00 H new ATOM 618 N TYR A 42 -5.663 8.206 -4.667 1.00 0.00 N ATOM 619 CA TYR A 42 -5.492 7.387 -3.418 1.00 0.00 C ATOM 620 C TYR A 42 -4.250 7.913 -2.641 1.00 0.00 C ATOM 621 O TYR A 42 -3.575 7.153 -1.973 1.00 0.00 O ATOM 622 CB TYR A 42 -5.243 5.907 -3.804 1.00 0.00 C ATOM 623 CG TYR A 42 -6.054 5.350 -4.989 1.00 0.00 C ATOM 624 CD1 TYR A 42 -7.253 5.825 -5.464 1.00 0.00 C ATOM 625 CD2 TYR A 42 -5.440 4.298 -5.642 1.00 0.00 C ATOM 626 CE1 TYR A 42 -7.801 5.246 -6.582 1.00 0.00 C ATOM 627 CE2 TYR A 42 -5.995 3.731 -6.748 1.00 0.00 C ATOM 628 CZ TYR A 42 -7.175 4.202 -7.224 1.00 0.00 C ATOM 629 OH TYR A 42 -7.692 3.611 -8.354 1.00 0.00 O ATOM 0 H TYR A 42 -4.865 8.179 -5.301 1.00 0.00 H new ATOM 0 HA TYR A 42 -6.388 7.464 -2.802 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -4.184 5.790 -4.033 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.451 5.289 -2.930 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.756 6.641 -4.966 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -4.501 3.918 -5.267 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.740 5.617 -6.965 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -5.499 2.910 -7.244 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.662 3.512 -8.257 1.00 0.00 H new ATOM 639 N GLY A 43 -4.029 9.193 -2.769 1.00 0.00 N ATOM 640 CA GLY A 43 -2.881 9.877 -2.101 1.00 0.00 C ATOM 641 C GLY A 43 -1.547 9.139 -2.315 1.00 0.00 C ATOM 642 O GLY A 43 -1.218 8.740 -3.421 1.00 0.00 O ATOM 0 H GLY A 43 -4.615 9.814 -3.327 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.795 10.894 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.081 9.955 -1.032 1.00 0.00 H new ATOM 646 N ASN A 44 -0.827 9.009 -1.232 1.00 0.00 N ATOM 647 CA ASN A 44 0.485 8.332 -1.205 1.00 0.00 C ATOM 648 C ASN A 44 0.304 7.135 -0.297 1.00 0.00 C ATOM 649 O ASN A 44 -0.537 7.194 0.578 1.00 0.00 O ATOM 650 CB ASN A 44 1.536 9.231 -0.582 1.00 0.00 C ATOM 651 CG ASN A 44 1.192 9.527 0.890 1.00 0.00 C ATOM 652 OD1 ASN A 44 1.442 8.665 1.834 1.00 0.00 O flip ATOM 653 ND2 ASN A 44 0.664 10.573 1.190 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.120 9.367 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 44 0.805 8.068 -2.213 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.514 8.753 -0.644 1.00 0.00 H new ATOM 0 HB3 ASN A 44 1.601 10.165 -1.141 1.00 0.00 H new ATOM 0 HD21 ASN A 44 0.457 11.265 0.470 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.425 10.763 2.163 1.00 0.00 H new ATOM 660 N ALA A 45 1.071 6.110 -0.520 1.00 0.00 N ATOM 661 CA ALA A 45 0.956 4.909 0.337 1.00 0.00 C ATOM 662 C ALA A 45 2.024 3.928 -0.026 1.00 0.00 C ATOM 663 O ALA A 45 2.856 4.152 -0.877 1.00 0.00 O ATOM 664 CB ALA A 45 -0.357 4.204 0.131 1.00 0.00 C ATOM 0 H ALA A 45 1.772 6.054 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 45 1.043 5.246 1.370 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.405 3.327 0.777 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.176 4.881 0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -0.443 3.893 -0.910 1.00 0.00 H new ATOM 670 N CYS A 46 1.960 2.822 0.643 1.00 0.00 N ATOM 671 CA CYS A 46 2.941 1.794 0.365 1.00 0.00 C ATOM 672 C CYS A 46 2.267 0.998 -0.726 1.00 0.00 C ATOM 673 O CYS A 46 1.088 0.675 -0.745 1.00 0.00 O ATOM 674 CB CYS A 46 3.169 0.994 1.611 1.00 0.00 C ATOM 675 SG CYS A 46 4.261 1.684 2.877 1.00 0.00 S ATOM 0 H CYS A 46 1.271 2.600 1.362 1.00 0.00 H new ATOM 0 HA CYS A 46 3.925 2.150 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.198 0.810 2.072 1.00 0.00 H new ATOM 0 HB3 CYS A 46 3.571 0.025 1.316 1.00 0.00 H new ATOM 680 N TRP A 47 3.158 0.712 -1.603 1.00 0.00 N ATOM 681 CA TRP A 47 2.895 -0.046 -2.824 1.00 0.00 C ATOM 682 C TRP A 47 3.630 -1.301 -2.467 1.00 0.00 C ATOM 683 O TRP A 47 4.799 -1.249 -2.137 1.00 0.00 O ATOM 684 CB TRP A 47 3.525 0.742 -3.984 1.00 0.00 C ATOM 685 CG TRP A 47 3.658 -0.072 -5.267 1.00 0.00 C ATOM 686 CD1 TRP A 47 4.672 -0.948 -5.541 1.00 0.00 C ATOM 687 CD2 TRP A 47 2.798 -0.057 -6.307 1.00 0.00 C ATOM 688 NE1 TRP A 47 4.367 -1.415 -6.731 1.00 0.00 N ATOM 689 CE2 TRP A 47 3.262 -0.937 -7.274 1.00 0.00 C ATOM 690 CE3 TRP A 47 1.631 0.669 -6.504 1.00 0.00 C ATOM 691 CZ2 TRP A 47 2.542 -1.102 -8.462 1.00 0.00 C ATOM 692 CZ3 TRP A 47 0.914 0.512 -7.688 1.00 0.00 C ATOM 693 CH2 TRP A 47 1.367 -0.373 -8.664 1.00 0.00 C ATOM 0 H TRP A 47 4.133 0.998 -1.510 1.00 0.00 H new ATOM 0 HA TRP A 47 1.865 -0.230 -3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.919 1.626 -4.184 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.511 1.093 -3.681 1.00 0.00 H new ATOM 0 HD1 TRP A 47 5.523 -1.197 -4.925 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.949 -2.105 -7.207 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.281 1.352 -5.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 2.892 -1.789 -9.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 0.007 1.076 -7.849 1.00 0.00 H new ATOM 0 HH2 TRP A 47 0.808 -0.496 -9.580 1.00 0.00 H new ATOM 704 N CYS A 48 2.953 -2.403 -2.541 1.00 0.00 N ATOM 705 CA CYS A 48 3.682 -3.637 -2.176 1.00 0.00 C ATOM 706 C CYS A 48 3.670 -4.476 -3.423 1.00 0.00 C ATOM 707 O CYS A 48 2.863 -4.219 -4.302 1.00 0.00 O ATOM 708 CB CYS A 48 2.964 -4.306 -1.060 1.00 0.00 C ATOM 709 SG CYS A 48 2.901 -3.456 0.534 1.00 0.00 S ATOM 0 H CYS A 48 1.978 -2.505 -2.823 1.00 0.00 H new ATOM 0 HA CYS A 48 4.703 -3.457 -1.838 1.00 0.00 H new ATOM 0 HB2 CYS A 48 1.939 -4.488 -1.383 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.426 -5.281 -0.901 1.00 0.00 H new ATOM 714 N TYR A 49 4.540 -5.446 -3.423 1.00 0.00 N ATOM 715 CA TYR A 49 4.648 -6.332 -4.596 1.00 0.00 C ATOM 716 C TYR A 49 4.329 -7.742 -4.135 1.00 0.00 C ATOM 717 O TYR A 49 4.699 -8.156 -3.047 1.00 0.00 O ATOM 718 CB TYR A 49 6.082 -6.317 -5.166 1.00 0.00 C ATOM 719 CG TYR A 49 6.702 -4.896 -5.338 1.00 0.00 C ATOM 720 CD1 TYR A 49 7.048 -4.161 -4.224 1.00 0.00 C ATOM 721 CD2 TYR A 49 6.949 -4.343 -6.580 1.00 0.00 C ATOM 722 CE1 TYR A 49 7.627 -2.924 -4.319 1.00 0.00 C ATOM 723 CE2 TYR A 49 7.532 -3.093 -6.675 1.00 0.00 C ATOM 724 CZ TYR A 49 7.874 -2.380 -5.544 1.00 0.00 C ATOM 725 OH TYR A 49 8.462 -1.141 -5.692 1.00 0.00 O ATOM 0 H TYR A 49 5.179 -5.658 -2.656 1.00 0.00 H new ATOM 0 HA TYR A 49 3.962 -5.994 -5.372 1.00 0.00 H new ATOM 0 HB2 TYR A 49 6.725 -6.902 -4.509 1.00 0.00 H new ATOM 0 HB3 TYR A 49 6.078 -6.816 -6.135 1.00 0.00 H new ATOM 0 HD1 TYR A 49 6.856 -4.574 -3.245 1.00 0.00 H new ATOM 0 HD2 TYR A 49 6.687 -4.887 -7.476 1.00 0.00 H new ATOM 0 HE1 TYR A 49 7.888 -2.379 -3.424 1.00 0.00 H new ATOM 0 HE2 TYR A 49 7.723 -2.668 -7.649 1.00 0.00 H new ATOM 0 HH TYR A 49 8.552 -0.934 -6.646 1.00 0.00 H new ATOM 735 N ALA A 50 3.648 -8.397 -5.034 1.00 0.00 N ATOM 736 CA ALA A 50 3.177 -9.794 -4.900 1.00 0.00 C ATOM 737 C ALA A 50 2.944 -10.162 -3.447 1.00 0.00 C ATOM 738 O ALA A 50 3.701 -10.848 -2.786 1.00 0.00 O ATOM 739 CB ALA A 50 4.215 -10.655 -5.573 1.00 0.00 C ATOM 0 H ALA A 50 3.383 -7.977 -5.925 1.00 0.00 H new ATOM 0 HA ALA A 50 2.208 -9.941 -5.378 1.00 0.00 H new ATOM 0 HB1 ALA A 50 3.919 -11.702 -5.505 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.300 -10.369 -6.621 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.177 -10.517 -5.080 1.00 0.00 H new ATOM 745 N LEU A 51 1.836 -9.612 -3.040 1.00 0.00 N ATOM 746 CA LEU A 51 1.324 -9.793 -1.679 1.00 0.00 C ATOM 747 C LEU A 51 0.942 -11.296 -1.630 1.00 0.00 C ATOM 748 O LEU A 51 0.715 -11.862 -2.682 1.00 0.00 O ATOM 749 CB LEU A 51 0.120 -8.865 -1.578 1.00 0.00 C ATOM 750 CG LEU A 51 0.329 -7.688 -0.636 1.00 0.00 C ATOM 751 CD1 LEU A 51 0.678 -8.073 0.778 1.00 0.00 C ATOM 752 CD2 LEU A 51 1.415 -6.798 -1.164 1.00 0.00 C ATOM 0 H LEU A 51 1.249 -9.022 -3.630 1.00 0.00 H new ATOM 0 HA LEU A 51 2.003 -9.560 -0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.119 -8.485 -2.571 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.743 -9.440 -1.241 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.633 -7.176 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.809 -7.173 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.126 -8.677 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.604 -8.648 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.559 -5.958 -0.485 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.343 -7.364 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.133 -6.425 -2.148 1.00 0.00 H new ATOM 764 N PRO A 52 0.828 -11.926 -0.488 1.00 0.00 N ATOM 765 CA PRO A 52 0.590 -13.405 -0.377 1.00 0.00 C ATOM 766 C PRO A 52 -0.903 -13.790 -0.552 1.00 0.00 C ATOM 767 O PRO A 52 -1.426 -14.715 0.048 1.00 0.00 O ATOM 768 CB PRO A 52 1.143 -13.688 0.974 1.00 0.00 C ATOM 769 CG PRO A 52 0.546 -12.475 1.756 1.00 0.00 C ATOM 770 CD PRO A 52 0.919 -11.295 0.850 1.00 0.00 C ATOM 0 HA PRO A 52 1.059 -13.999 -1.162 1.00 0.00 H new ATOM 0 HB2 PRO A 52 0.810 -14.647 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.233 -13.699 0.987 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -0.533 -12.564 1.886 1.00 0.00 H new ATOM 0 HG3 PRO A 52 0.980 -12.378 2.751 1.00 0.00 H new ATOM 0 HD2 PRO A 52 0.230 -10.458 0.959 1.00 0.00 H new ATOM 0 HD3 PRO A 52 1.919 -10.914 1.059 1.00 0.00 H new ATOM 778 N ASP A 53 -1.474 -12.976 -1.387 1.00 0.00 N ATOM 779 CA ASP A 53 -2.887 -12.924 -1.887 1.00 0.00 C ATOM 780 C ASP A 53 -3.976 -12.680 -0.850 1.00 0.00 C ATOM 781 O ASP A 53 -5.007 -12.103 -1.155 1.00 0.00 O ATOM 782 CB ASP A 53 -3.271 -14.206 -2.657 1.00 0.00 C ATOM 783 CG ASP A 53 -2.832 -14.084 -4.124 1.00 0.00 C ATOM 784 OD1 ASP A 53 -3.046 -13.050 -4.752 1.00 0.00 O ATOM 785 OD2 ASP A 53 -2.279 -15.058 -4.591 1.00 0.00 O ATOM 0 H ASP A 53 -0.925 -12.226 -1.807 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.860 -12.044 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.797 -15.073 -2.197 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.348 -14.365 -2.602 1.00 0.00 H new ATOM 790 N ASN A 54 -3.698 -13.125 0.340 1.00 0.00 N ATOM 791 CA ASN A 54 -4.662 -12.975 1.483 1.00 0.00 C ATOM 792 C ASN A 54 -4.707 -11.547 2.033 1.00 0.00 C ATOM 793 O ASN A 54 -5.252 -11.303 3.092 1.00 0.00 O ATOM 794 CB ASN A 54 -4.253 -13.976 2.611 1.00 0.00 C ATOM 795 CG ASN A 54 -2.843 -13.675 3.131 1.00 0.00 C ATOM 796 OD1 ASN A 54 -2.604 -12.736 3.861 1.00 0.00 O ATOM 797 ND2 ASN A 54 -1.861 -14.447 2.773 1.00 0.00 N ATOM 0 H ASN A 54 -2.827 -13.598 0.582 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.664 -13.196 1.115 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -4.967 -13.915 3.432 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.293 -14.996 2.228 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -0.916 -14.257 3.105 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.036 -15.243 2.160 1.00 0.00 H new ATOM 804 N VAL A 55 -4.143 -10.631 1.299 1.00 0.00 N ATOM 805 CA VAL A 55 -4.136 -9.210 1.740 1.00 0.00 C ATOM 806 C VAL A 55 -4.971 -8.428 0.701 1.00 0.00 C ATOM 807 O VAL A 55 -4.476 -8.029 -0.341 1.00 0.00 O ATOM 808 CB VAL A 55 -2.677 -8.732 1.795 1.00 0.00 C ATOM 809 CG1 VAL A 55 -2.637 -7.288 2.237 1.00 0.00 C ATOM 810 CG2 VAL A 55 -2.002 -9.544 2.875 1.00 0.00 C ATOM 0 H VAL A 55 -3.683 -10.807 0.406 1.00 0.00 H new ATOM 0 HA VAL A 55 -4.566 -9.064 2.731 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.200 -8.839 0.821 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.602 -6.948 2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.194 -6.675 1.528 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.086 -7.198 3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.957 -9.244 2.957 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.505 -9.373 3.827 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -2.056 -10.603 2.622 1.00 0.00 H new ATOM 820 N PRO A 56 -6.237 -8.241 0.984 1.00 0.00 N ATOM 821 CA PRO A 56 -7.095 -7.384 0.129 1.00 0.00 C ATOM 822 C PRO A 56 -6.517 -5.952 0.101 1.00 0.00 C ATOM 823 O PRO A 56 -6.706 -5.206 1.035 1.00 0.00 O ATOM 824 CB PRO A 56 -8.502 -7.473 0.740 1.00 0.00 C ATOM 825 CG PRO A 56 -8.367 -8.225 2.101 1.00 0.00 C ATOM 826 CD PRO A 56 -6.950 -8.831 2.157 1.00 0.00 C ATOM 0 HA PRO A 56 -7.135 -7.702 -0.913 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.920 -6.478 0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -9.179 -8.005 0.072 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -8.524 -7.541 2.935 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -9.122 -9.007 2.184 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.449 -8.580 3.092 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -6.982 -9.919 2.095 1.00 0.00 H new ATOM 834 N ILE A 57 -5.836 -5.629 -0.964 1.00 0.00 N ATOM 835 CA ILE A 57 -5.196 -4.291 -1.201 1.00 0.00 C ATOM 836 C ILE A 57 -6.317 -3.282 -1.539 1.00 0.00 C ATOM 837 O ILE A 57 -7.487 -3.601 -1.411 1.00 0.00 O ATOM 838 CB ILE A 57 -4.174 -4.492 -2.376 1.00 0.00 C ATOM 839 CG1 ILE A 57 -4.879 -4.616 -3.740 1.00 0.00 C ATOM 840 CG2 ILE A 57 -3.192 -5.610 -2.106 1.00 0.00 C ATOM 841 CD1 ILE A 57 -5.855 -5.765 -3.812 1.00 0.00 C ATOM 0 H ILE A 57 -5.686 -6.282 -1.733 1.00 0.00 H new ATOM 0 HA ILE A 57 -4.661 -3.900 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.572 -3.585 -2.430 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -5.408 -3.687 -3.952 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -4.127 -4.740 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.509 -5.706 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.624 -5.385 -1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.734 -6.546 -1.970 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -6.314 -5.791 -4.800 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -5.328 -6.702 -3.631 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -6.629 -5.633 -3.056 1.00 0.00 H new ATOM 853 N ARG A 58 -5.969 -2.086 -1.948 1.00 0.00 N ATOM 854 CA ARG A 58 -7.098 -1.142 -2.272 1.00 0.00 C ATOM 855 C ARG A 58 -6.973 -0.360 -3.582 1.00 0.00 C ATOM 856 O ARG A 58 -5.937 0.212 -3.880 1.00 0.00 O ATOM 857 CB ARG A 58 -7.257 -0.180 -1.093 1.00 0.00 C ATOM 858 CG ARG A 58 -6.167 0.832 -1.004 1.00 0.00 C ATOM 859 CD ARG A 58 -6.480 2.097 -1.876 1.00 0.00 C ATOM 860 NE ARG A 58 -6.535 3.301 -0.955 1.00 0.00 N ATOM 861 CZ ARG A 58 -7.014 4.476 -1.281 1.00 0.00 C ATOM 862 NH1 ARG A 58 -7.467 4.648 -2.483 1.00 0.00 N ATOM 863 NH2 ARG A 58 -7.012 5.430 -0.389 1.00 0.00 N ATOM 0 H ARG A 58 -5.020 -1.733 -2.068 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.979 -1.764 -2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -8.214 0.334 -1.180 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.286 -0.754 -0.167 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.031 1.131 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.228 0.386 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.712 2.234 -2.637 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -7.428 1.974 -2.399 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.171 3.187 -0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.446 3.878 -3.151 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.845 5.554 -2.761 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.641 5.254 0.545 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -7.381 6.351 -0.626 1.00 0.00 H new ATOM 877 N VAL A 59 -8.070 -0.369 -4.303 1.00 0.00 N ATOM 878 CA VAL A 59 -8.169 0.330 -5.626 1.00 0.00 C ATOM 879 C VAL A 59 -9.593 0.870 -5.959 1.00 0.00 C ATOM 880 O VAL A 59 -10.167 0.494 -6.959 1.00 0.00 O ATOM 881 CB VAL A 59 -7.686 -0.684 -6.712 1.00 0.00 C ATOM 882 CG1 VAL A 59 -6.182 -0.823 -6.660 1.00 0.00 C ATOM 883 CG2 VAL A 59 -8.358 -2.014 -6.457 1.00 0.00 C ATOM 0 H VAL A 59 -8.926 -0.846 -4.020 1.00 0.00 H new ATOM 0 HA VAL A 59 -7.544 1.223 -5.595 1.00 0.00 H new ATOM 0 HB VAL A 59 -7.953 -0.327 -7.706 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -5.856 -1.532 -7.421 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.720 0.147 -6.846 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -5.884 -1.184 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -8.033 -2.736 -7.206 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -8.087 -2.374 -5.465 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -9.440 -1.892 -6.516 1.00 0.00 H new ATOM 893 N PRO A 60 -10.142 1.721 -5.125 1.00 0.00 N ATOM 894 CA PRO A 60 -11.440 2.402 -5.364 1.00 0.00 C ATOM 895 C PRO A 60 -11.284 3.747 -6.083 1.00 0.00 C ATOM 896 O PRO A 60 -10.264 4.067 -6.656 1.00 0.00 O ATOM 897 CB PRO A 60 -12.020 2.499 -3.961 1.00 0.00 C ATOM 898 CG PRO A 60 -10.739 2.971 -3.195 1.00 0.00 C ATOM 899 CD PRO A 60 -9.587 2.116 -3.806 1.00 0.00 C ATOM 0 HA PRO A 60 -12.100 1.866 -6.046 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -12.839 3.216 -3.893 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -12.400 1.545 -3.596 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -10.561 4.037 -3.337 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -10.833 2.803 -2.122 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -8.666 2.691 -3.909 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.354 1.249 -3.188 1.00 0.00 H new ATOM 907 N GLY A 61 -12.333 4.507 -6.013 1.00 0.00 N ATOM 908 CA GLY A 61 -12.375 5.860 -6.655 1.00 0.00 C ATOM 909 C GLY A 61 -12.090 6.893 -5.561 1.00 0.00 C ATOM 910 O GLY A 61 -11.733 8.032 -5.806 1.00 0.00 O ATOM 0 H GLY A 61 -13.191 4.247 -5.526 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -11.635 5.930 -7.452 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -13.350 6.040 -7.109 1.00 0.00 H new ATOM 914 N LYS A 62 -12.289 6.410 -4.360 1.00 0.00 N ATOM 915 CA LYS A 62 -12.107 7.120 -3.078 1.00 0.00 C ATOM 916 C LYS A 62 -12.122 5.976 -2.032 1.00 0.00 C ATOM 917 O LYS A 62 -12.751 4.958 -2.258 1.00 0.00 O ATOM 918 CB LYS A 62 -13.276 8.158 -2.916 1.00 0.00 C ATOM 919 CG LYS A 62 -14.694 7.606 -3.293 1.00 0.00 C ATOM 920 CD LYS A 62 -15.780 8.756 -3.290 1.00 0.00 C ATOM 921 CE LYS A 62 -16.168 9.250 -1.852 1.00 0.00 C ATOM 922 NZ LYS A 62 -17.230 10.310 -1.944 1.00 0.00 N ATOM 0 H LYS A 62 -12.603 5.449 -4.222 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.191 7.703 -2.984 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.298 8.503 -1.882 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.062 9.027 -3.538 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.655 7.142 -4.279 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.983 6.828 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.404 9.601 -3.866 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -16.677 8.399 -3.797 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -16.529 8.412 -1.255 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -15.289 9.647 -1.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.482 10.633 -0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -16.871 11.114 -2.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -18.073 9.918 -2.410 1.00 0.00 H new ATOM 936 N CYS A 63 -11.445 6.154 -0.931 1.00 0.00 N ATOM 937 CA CYS A 63 -11.395 5.106 0.145 1.00 0.00 C ATOM 938 C CYS A 63 -12.737 5.220 0.885 1.00 0.00 C ATOM 939 O CYS A 63 -13.458 6.185 0.704 1.00 0.00 O ATOM 940 CB CYS A 63 -10.216 5.448 1.033 1.00 0.00 C ATOM 941 SG CYS A 63 -10.365 5.217 2.819 1.00 0.00 S ATOM 0 H CYS A 63 -10.911 6.998 -0.722 1.00 0.00 H new ATOM 0 HA CYS A 63 -11.264 4.086 -0.215 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -9.367 4.854 0.695 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -9.964 6.494 0.857 1.00 0.00 H new ATOM 946 N HIS A 64 -13.055 4.250 1.693 1.00 0.00 N ATOM 947 CA HIS A 64 -14.349 4.313 2.429 1.00 0.00 C ATOM 948 C HIS A 64 -14.298 3.365 3.642 1.00 0.00 C ATOM 949 O HIS A 64 -13.191 3.095 4.062 1.00 0.00 O ATOM 950 CB HIS A 64 -15.461 3.897 1.485 1.00 0.00 C ATOM 951 CG HIS A 64 -15.039 2.523 0.984 1.00 0.00 C ATOM 952 ND1 HIS A 64 -14.851 1.492 1.759 1.00 0.00 N ATOM 953 CD2 HIS A 64 -14.778 2.108 -0.304 1.00 0.00 C ATOM 954 CE1 HIS A 64 -14.487 0.465 1.052 1.00 0.00 C ATOM 955 NE2 HIS A 64 -14.448 0.845 -0.197 1.00 0.00 N ATOM 956 OXT HIS A 64 -15.363 2.949 4.074 1.00 0.00 O ATOM 0 H HIS A 64 -12.484 3.425 1.876 1.00 0.00 H new ATOM 0 HA HIS A 64 -14.532 5.326 2.787 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -16.422 3.855 1.997 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -15.569 4.604 0.662 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -14.834 2.697 -1.207 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -14.259 -0.521 1.428 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -14.196 0.242 -0.980 1.00 0.00 H new TER 965 HIS A 64