USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 681 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 53 MET CE :methyl -167:sc= -1.08 (180deg=-2.22!) USER MOD Set 1.2: A 77 HIS : no HD1:sc= -0.186 X(o=-1.3,f=-0.97) USER MOD Set 2.1: A 14 ASN : amide:sc= -0.614 K(o=0.63,f=-7.1) USER MOD Set 2.2: A 16 LYS NZ :NH3+ -165:sc= 1.25 (180deg=-0.288) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -171:sc= 0 (180deg=-0.0702) USER MOD Single : A 3 LYS NZ :NH3+ -144:sc= -0.746 (180deg=-2.26!) USER MOD Single : A 4 HIS : no HD1:sc= 0.795 K(o=0.79,f=-4.3!) USER MOD Single : A 6 LYS NZ :NH3+ 154:sc= -0.197 (180deg=-0.811) USER MOD Single : A 7 TYR OH : rot 180:sc= 0.605 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.67 K(o=0.67,f=0) USER MOD Single : A 17 TYR OH : rot -132:sc= 2.1 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 176:sc= 1.15 (180deg=1.03) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.0149 X(o=-0.015,f=-0.27) USER MOD Single : A 30 SER OG : rot -8:sc= 1.07 USER MOD Single : A 33 LYS NZ :NH3+ 163:sc= -0.0556 (180deg=-0.331) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 1.22 (180deg=0.928) USER MOD Single : A 55 ASN : amide:sc=-0.00876 X(o=-0.0088,f=-0.0088) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -171:sc= 1.99 (180deg=1.85) USER MOD Single : A 65 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 72 HIS : no HE2:sc= 1.05 K(o=1,f=-4.5!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.188 23.280 -9.601 1.00 0.00 N ATOM 2 CA MET A 1 -4.952 23.310 -8.345 1.00 0.00 C ATOM 3 C MET A 1 -5.262 21.880 -7.871 1.00 0.00 C ATOM 4 O MET A 1 -5.200 21.591 -6.666 1.00 0.00 O ATOM 5 CB MET A 1 -6.243 24.172 -8.509 1.00 0.00 C ATOM 6 CG MET A 1 -7.101 24.376 -7.247 1.00 0.00 C ATOM 7 SD MET A 1 -8.097 22.935 -6.787 1.00 0.00 S ATOM 8 CE MET A 1 -8.927 23.550 -5.322 1.00 0.00 C ATOM 0 H1 MET A 1 -3.856 24.239 -9.828 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.370 22.646 -9.495 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.797 22.934 -10.370 1.00 0.00 H new ATOM 0 HA MET A 1 -4.347 23.783 -7.571 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.952 25.153 -8.885 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.867 23.709 -9.274 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.447 24.633 -6.414 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.764 25.227 -7.405 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.579 22.774 -4.921 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.185 23.824 -4.572 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.522 24.426 -5.581 1.00 0.00 H new ATOM 20 N LEU A 2 -5.578 20.992 -8.799 1.00 0.00 N ATOM 21 CA LEU A 2 -5.877 19.603 -8.465 1.00 0.00 C ATOM 22 C LEU A 2 -4.622 18.749 -8.544 1.00 0.00 C ATOM 23 O LEU A 2 -3.910 18.763 -9.563 1.00 0.00 O ATOM 24 CB LEU A 2 -6.950 18.988 -9.399 1.00 0.00 C ATOM 25 CG LEU A 2 -8.370 19.579 -9.372 1.00 0.00 C ATOM 26 CD1 LEU A 2 -8.914 19.669 -7.959 1.00 0.00 C ATOM 27 CD2 LEU A 2 -8.442 20.915 -10.087 1.00 0.00 C ATOM 0 H LEU A 2 -5.635 21.206 -9.795 1.00 0.00 H new ATOM 0 HA LEU A 2 -6.267 19.611 -7.447 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.580 19.060 -10.422 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -7.028 17.927 -9.162 1.00 0.00 H new ATOM 0 HG LEU A 2 -9.011 18.890 -9.921 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -9.919 20.091 -7.982 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -8.949 18.673 -7.519 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -8.266 20.308 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -9.462 21.296 -10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -7.769 21.623 -9.603 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -8.146 20.787 -11.128 1.00 0.00 H new ATOM 39 N LYS A 3 -4.340 18.033 -7.486 1.00 0.00 N ATOM 40 CA LYS A 3 -3.236 17.112 -7.470 1.00 0.00 C ATOM 41 C LYS A 3 -3.754 15.732 -7.777 1.00 0.00 C ATOM 42 O LYS A 3 -4.816 15.334 -7.280 1.00 0.00 O ATOM 43 CB LYS A 3 -2.510 17.121 -6.118 1.00 0.00 C ATOM 44 CG LYS A 3 -1.886 18.458 -5.780 1.00 0.00 C ATOM 45 CD LYS A 3 -1.068 18.450 -4.482 1.00 0.00 C ATOM 46 CE LYS A 3 0.336 17.817 -4.626 1.00 0.00 C ATOM 47 NZ LYS A 3 0.342 16.340 -4.755 1.00 0.00 N ATOM 0 H LYS A 3 -4.868 18.073 -6.614 1.00 0.00 H new ATOM 0 HA LYS A 3 -2.512 17.418 -8.225 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -3.216 16.849 -5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -1.732 16.357 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -1.241 18.766 -6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -2.675 19.206 -5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.958 19.475 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -1.624 17.906 -3.718 1.00 0.00 H new ATOM 0 HE2 LYS A 3 0.825 18.246 -5.501 1.00 0.00 H new ATOM 0 HE3 LYS A 3 0.935 18.094 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.171 15.952 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.525 15.951 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.384 16.080 -5.761 1.00 0.00 H new ATOM 61 N HIS A 4 -3.051 15.022 -8.611 1.00 0.00 N ATOM 62 CA HIS A 4 -3.457 13.676 -8.984 1.00 0.00 C ATOM 63 C HIS A 4 -2.805 12.628 -8.125 1.00 0.00 C ATOM 64 O HIS A 4 -3.133 11.462 -8.238 1.00 0.00 O ATOM 65 CB HIS A 4 -3.206 13.376 -10.463 1.00 0.00 C ATOM 66 CG HIS A 4 -4.154 14.059 -11.396 1.00 0.00 C ATOM 67 ND1 HIS A 4 -3.805 15.124 -12.189 1.00 0.00 N ATOM 68 CD2 HIS A 4 -5.453 13.806 -11.664 1.00 0.00 C ATOM 69 CE1 HIS A 4 -4.851 15.499 -12.897 1.00 0.00 C ATOM 70 NE2 HIS A 4 -5.861 14.719 -12.600 1.00 0.00 N ATOM 0 H HIS A 4 -2.190 15.344 -9.053 1.00 0.00 H new ATOM 0 HA HIS A 4 -4.533 13.636 -8.813 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -2.188 13.674 -10.715 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -3.271 12.299 -10.620 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -6.058 13.028 -11.222 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.872 16.314 -13.605 1.00 0.00 H new ATOM 0 HE2 HIS A 4 -6.797 14.781 -13.000 1.00 0.00 H new ATOM 79 N GLY A 5 -1.893 13.025 -7.276 1.00 0.00 N ATOM 80 CA GLY A 5 -1.265 12.056 -6.435 1.00 0.00 C ATOM 81 C GLY A 5 -0.689 12.648 -5.190 1.00 0.00 C ATOM 82 O GLY A 5 0.081 13.603 -5.253 1.00 0.00 O ATOM 0 H GLY A 5 -1.579 13.988 -7.154 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.994 11.292 -6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -0.473 11.557 -6.994 1.00 0.00 H new ATOM 86 N LYS A 6 -1.094 12.136 -4.057 1.00 0.00 N ATOM 87 CA LYS A 6 -0.504 12.555 -2.797 1.00 0.00 C ATOM 88 C LYS A 6 -0.066 11.337 -2.011 1.00 0.00 C ATOM 89 O LYS A 6 -0.554 10.238 -2.259 1.00 0.00 O ATOM 90 CB LYS A 6 -1.419 13.472 -1.960 1.00 0.00 C ATOM 91 CG LYS A 6 -2.593 12.825 -1.232 1.00 0.00 C ATOM 92 CD LYS A 6 -3.646 12.246 -2.150 1.00 0.00 C ATOM 93 CE LYS A 6 -4.860 11.820 -1.342 1.00 0.00 C ATOM 94 NZ LYS A 6 -5.464 12.974 -0.632 1.00 0.00 N ATOM 0 H LYS A 6 -1.826 11.431 -3.973 1.00 0.00 H new ATOM 0 HA LYS A 6 0.367 13.166 -3.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -0.800 13.976 -1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -1.817 14.243 -2.620 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -2.214 12.033 -0.586 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.059 13.568 -0.585 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.936 12.985 -2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -3.240 11.391 -2.690 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -5.600 11.369 -2.003 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -4.570 11.057 -0.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -6.474 12.790 -0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -4.983 13.111 0.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -5.359 13.831 -1.211 1.00 0.00 H new ATOM 108 N TYR A 7 0.824 11.520 -1.083 1.00 0.00 N ATOM 109 CA TYR A 7 1.382 10.415 -0.342 1.00 0.00 C ATOM 110 C TYR A 7 0.751 10.264 1.026 1.00 0.00 C ATOM 111 O TYR A 7 0.541 11.251 1.751 1.00 0.00 O ATOM 112 CB TYR A 7 2.896 10.561 -0.210 1.00 0.00 C ATOM 113 CG TYR A 7 3.640 10.519 -1.524 1.00 0.00 C ATOM 114 CD1 TYR A 7 3.758 11.655 -2.310 1.00 0.00 C ATOM 115 CD2 TYR A 7 4.220 9.344 -1.979 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.424 11.625 -3.507 1.00 0.00 C ATOM 117 CE2 TYR A 7 4.898 9.306 -3.182 1.00 0.00 C ATOM 118 CZ TYR A 7 4.997 10.452 -3.941 1.00 0.00 C ATOM 119 OH TYR A 7 5.656 10.422 -5.158 1.00 0.00 O ATOM 0 H TYR A 7 1.187 12.434 -0.814 1.00 0.00 H new ATOM 0 HA TYR A 7 1.159 9.510 -0.908 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.116 11.505 0.289 1.00 0.00 H new ATOM 0 HB3 TYR A 7 3.272 9.765 0.433 1.00 0.00 H new ATOM 0 HD1 TYR A 7 3.317 12.581 -1.972 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.140 8.446 -1.384 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.499 12.519 -4.108 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.347 8.386 -3.525 1.00 0.00 H new ATOM 0 HH TYR A 7 6.005 9.521 -5.319 1.00 0.00 H new ATOM 129 N VAL A 8 0.438 9.040 1.351 1.00 0.00 N ATOM 130 CA VAL A 8 -0.114 8.640 2.633 1.00 0.00 C ATOM 131 C VAL A 8 0.554 7.322 3.014 1.00 0.00 C ATOM 132 O VAL A 8 1.450 6.858 2.293 1.00 0.00 O ATOM 133 CB VAL A 8 -1.671 8.443 2.604 1.00 0.00 C ATOM 134 CG1 VAL A 8 -2.404 9.724 2.226 1.00 0.00 C ATOM 135 CG2 VAL A 8 -2.072 7.307 1.684 1.00 0.00 C ATOM 0 H VAL A 8 0.562 8.256 0.710 1.00 0.00 H new ATOM 0 HA VAL A 8 0.079 9.432 3.356 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.970 8.180 3.619 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.478 9.540 2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -2.174 10.503 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.085 10.047 1.235 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -3.157 7.200 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.734 7.523 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.614 6.380 2.030 1.00 0.00 H new ATOM 145 N TYR A 9 0.156 6.730 4.108 1.00 0.00 N ATOM 146 CA TYR A 9 0.740 5.476 4.524 1.00 0.00 C ATOM 147 C TYR A 9 -0.308 4.408 4.653 1.00 0.00 C ATOM 148 O TYR A 9 -1.449 4.684 5.007 1.00 0.00 O ATOM 149 CB TYR A 9 1.503 5.617 5.835 1.00 0.00 C ATOM 150 CG TYR A 9 2.797 6.383 5.726 1.00 0.00 C ATOM 151 CD1 TYR A 9 2.815 7.767 5.724 1.00 0.00 C ATOM 152 CD2 TYR A 9 4.009 5.714 5.647 1.00 0.00 C ATOM 153 CE1 TYR A 9 3.998 8.460 5.645 1.00 0.00 C ATOM 154 CE2 TYR A 9 5.196 6.400 5.565 1.00 0.00 C ATOM 155 CZ TYR A 9 5.186 7.772 5.566 1.00 0.00 C ATOM 156 OH TYR A 9 6.374 8.465 5.498 1.00 0.00 O ATOM 0 H TYR A 9 -0.568 7.092 4.728 1.00 0.00 H new ATOM 0 HA TYR A 9 1.448 5.182 3.749 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.861 6.114 6.563 1.00 0.00 H new ATOM 0 HB3 TYR A 9 1.716 4.622 6.225 1.00 0.00 H new ATOM 0 HD1 TYR A 9 1.884 8.311 5.786 1.00 0.00 H new ATOM 0 HD2 TYR A 9 4.020 4.634 5.650 1.00 0.00 H new ATOM 0 HE1 TYR A 9 3.995 9.540 5.645 1.00 0.00 H new ATOM 0 HE2 TYR A 9 6.131 5.863 5.500 1.00 0.00 H new ATOM 0 HH TYR A 9 7.120 7.831 5.448 1.00 0.00 H new ATOM 166 N ILE A 10 0.063 3.204 4.338 1.00 0.00 N ATOM 167 CA ILE A 10 -0.827 2.081 4.482 1.00 0.00 C ATOM 168 C ILE A 10 -0.522 1.367 5.790 1.00 0.00 C ATOM 169 O ILE A 10 0.655 1.070 6.086 1.00 0.00 O ATOM 170 CB ILE A 10 -0.716 1.085 3.289 1.00 0.00 C ATOM 171 CG1 ILE A 10 -1.030 1.780 1.955 1.00 0.00 C ATOM 172 CG2 ILE A 10 -1.616 -0.132 3.480 1.00 0.00 C ATOM 173 CD1 ILE A 10 -2.386 2.452 1.910 1.00 0.00 C ATOM 0 H ILE A 10 0.986 2.968 3.975 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.849 2.459 4.489 1.00 0.00 H new ATOM 0 HB ILE A 10 0.316 0.735 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.260 2.526 1.757 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.975 1.044 1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.509 -0.801 2.626 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.329 -0.657 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.654 0.192 3.559 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.529 2.918 0.935 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -3.166 1.709 2.075 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.441 3.214 2.688 1.00 0.00 H new ATOM 185 N ASP A 11 -1.559 1.122 6.580 1.00 0.00 N ATOM 186 CA ASP A 11 -1.416 0.455 7.863 1.00 0.00 C ATOM 187 C ASP A 11 -1.116 -1.009 7.685 1.00 0.00 C ATOM 188 O ASP A 11 -2.017 -1.841 7.490 1.00 0.00 O ATOM 189 CB ASP A 11 -2.626 0.676 8.804 1.00 0.00 C ATOM 190 CG ASP A 11 -2.529 -0.105 10.124 1.00 0.00 C ATOM 191 OD1 ASP A 11 -1.790 0.331 11.045 1.00 0.00 O ATOM 192 OD2 ASP A 11 -3.222 -1.148 10.273 1.00 0.00 O ATOM 0 H ASP A 11 -2.518 1.380 6.349 1.00 0.00 H new ATOM 0 HA ASP A 11 -0.563 0.920 8.357 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -2.713 1.740 9.026 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -3.538 0.383 8.284 1.00 0.00 H new ATOM 197 N LEU A 12 0.163 -1.290 7.624 1.00 0.00 N ATOM 198 CA LEU A 12 0.665 -2.637 7.590 1.00 0.00 C ATOM 199 C LEU A 12 0.581 -3.178 9.000 1.00 0.00 C ATOM 200 O LEU A 12 0.360 -4.362 9.223 1.00 0.00 O ATOM 201 CB LEU A 12 2.113 -2.636 7.124 1.00 0.00 C ATOM 202 CG LEU A 12 2.396 -1.961 5.787 1.00 0.00 C ATOM 203 CD1 LEU A 12 3.881 -1.998 5.493 1.00 0.00 C ATOM 204 CD2 LEU A 12 1.609 -2.619 4.665 1.00 0.00 C ATOM 0 H LEU A 12 0.892 -0.578 7.596 1.00 0.00 H new ATOM 0 HA LEU A 12 0.085 -3.252 6.902 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.717 -2.147 7.888 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.453 -3.670 7.063 1.00 0.00 H new ATOM 0 HG LEU A 12 2.076 -0.921 5.851 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.075 -1.514 4.536 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.421 -1.473 6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.218 -3.034 5.450 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.830 -2.117 3.723 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.890 -3.670 4.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.542 -2.542 4.875 1.00 0.00 H new ATOM 216 N ASN A 13 0.833 -2.263 9.943 1.00 0.00 N ATOM 217 CA ASN A 13 0.660 -2.448 11.398 1.00 0.00 C ATOM 218 C ASN A 13 1.712 -3.376 12.030 1.00 0.00 C ATOM 219 O ASN A 13 1.846 -3.437 13.246 1.00 0.00 O ATOM 220 CB ASN A 13 -0.771 -2.912 11.713 1.00 0.00 C ATOM 221 CG ASN A 13 -1.188 -2.656 13.139 1.00 0.00 C ATOM 222 OD1 ASN A 13 -1.022 -3.496 14.020 1.00 0.00 O ATOM 223 ND2 ASN A 13 -1.727 -1.489 13.373 1.00 0.00 N ATOM 0 H ASN A 13 1.178 -1.332 9.709 1.00 0.00 H new ATOM 0 HA ASN A 13 0.823 -1.474 11.860 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -1.465 -2.403 11.043 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -0.852 -3.979 11.505 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.028 -1.246 14.317 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.846 -0.821 12.612 1.00 0.00 H new ATOM 230 N ASN A 14 2.501 -4.027 11.197 1.00 0.00 N ATOM 231 CA ASN A 14 3.554 -4.964 11.631 1.00 0.00 C ATOM 232 C ASN A 14 4.851 -4.236 12.011 1.00 0.00 C ATOM 233 O ASN A 14 5.938 -4.825 12.034 1.00 0.00 O ATOM 234 CB ASN A 14 3.826 -6.071 10.581 1.00 0.00 C ATOM 235 CG ASN A 14 4.145 -5.547 9.192 1.00 0.00 C ATOM 236 OD1 ASN A 14 5.280 -5.200 8.893 1.00 0.00 O ATOM 237 ND2 ASN A 14 3.164 -5.540 8.321 1.00 0.00 N ATOM 0 H ASN A 14 2.439 -3.928 10.184 1.00 0.00 H new ATOM 0 HA ASN A 14 3.175 -5.454 12.528 1.00 0.00 H new ATOM 0 HB2 ASN A 14 4.658 -6.686 10.925 1.00 0.00 H new ATOM 0 HB3 ASN A 14 2.953 -6.721 10.520 1.00 0.00 H new ATOM 0 HD21 ASN A 14 3.336 -5.239 7.362 1.00 0.00 H new ATOM 0 HD22 ASN A 14 2.229 -5.836 8.603 1.00 0.00 H new ATOM 244 N GLY A 15 4.726 -2.969 12.321 1.00 0.00 N ATOM 245 CA GLY A 15 5.863 -2.175 12.769 1.00 0.00 C ATOM 246 C GLY A 15 6.404 -1.257 11.706 1.00 0.00 C ATOM 247 O GLY A 15 7.158 -0.335 11.999 1.00 0.00 O ATOM 0 H GLY A 15 3.846 -2.455 12.274 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.565 -1.582 13.634 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.657 -2.844 13.100 1.00 0.00 H new ATOM 251 N LYS A 16 6.003 -1.479 10.493 1.00 0.00 N ATOM 252 CA LYS A 16 6.411 -0.638 9.399 1.00 0.00 C ATOM 253 C LYS A 16 5.198 -0.227 8.604 1.00 0.00 C ATOM 254 O LYS A 16 4.136 -0.864 8.713 1.00 0.00 O ATOM 255 CB LYS A 16 7.472 -1.329 8.517 1.00 0.00 C ATOM 256 CG LYS A 16 7.083 -2.701 7.996 1.00 0.00 C ATOM 257 CD LYS A 16 8.192 -3.294 7.146 1.00 0.00 C ATOM 258 CE LYS A 16 7.880 -4.724 6.722 1.00 0.00 C ATOM 259 NZ LYS A 16 7.772 -5.638 7.883 1.00 0.00 N ATOM 0 H LYS A 16 5.385 -2.246 10.228 1.00 0.00 H new ATOM 0 HA LYS A 16 6.884 0.259 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.691 -0.683 7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.394 -1.424 9.091 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.867 -3.364 8.834 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.169 -2.625 7.407 1.00 0.00 H new ATOM 0 HD2 LYS A 16 8.340 -2.677 6.260 1.00 0.00 H new ATOM 0 HD3 LYS A 16 9.127 -3.277 7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 16 6.946 -4.740 6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.661 -5.081 6.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 7.814 -6.624 7.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 8.558 -5.459 8.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.868 -5.474 8.371 1.00 0.00 H new ATOM 273 N TYR A 17 5.329 0.836 7.861 1.00 0.00 N ATOM 274 CA TYR A 17 4.256 1.379 7.044 1.00 0.00 C ATOM 275 C TYR A 17 4.781 1.664 5.668 1.00 0.00 C ATOM 276 O TYR A 17 5.923 2.037 5.521 1.00 0.00 O ATOM 277 CB TYR A 17 3.687 2.673 7.659 1.00 0.00 C ATOM 278 CG TYR A 17 2.763 2.465 8.839 1.00 0.00 C ATOM 279 CD1 TYR A 17 3.234 2.021 10.063 1.00 0.00 C ATOM 280 CD2 TYR A 17 1.404 2.698 8.711 1.00 0.00 C ATOM 281 CE1 TYR A 17 2.380 1.817 11.119 1.00 0.00 C ATOM 282 CE2 TYR A 17 0.546 2.495 9.764 1.00 0.00 C ATOM 283 CZ TYR A 17 1.038 2.052 10.962 1.00 0.00 C ATOM 284 OH TYR A 17 0.182 1.834 12.006 1.00 0.00 O ATOM 0 H TYR A 17 6.198 1.367 7.798 1.00 0.00 H new ATOM 0 HA TYR A 17 3.452 0.645 6.995 1.00 0.00 H new ATOM 0 HB2 TYR A 17 4.518 3.304 7.974 1.00 0.00 H new ATOM 0 HB3 TYR A 17 3.147 3.219 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 17 4.290 1.832 10.189 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.012 3.045 7.767 1.00 0.00 H new ATOM 0 HE1 TYR A 17 2.763 1.473 12.068 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -0.511 2.684 9.647 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.585 1.308 11.696 1.00 0.00 H new ATOM 294 N VAL A 18 3.971 1.487 4.673 1.00 0.00 N ATOM 295 CA VAL A 18 4.404 1.749 3.319 1.00 0.00 C ATOM 296 C VAL A 18 3.880 3.100 2.881 1.00 0.00 C ATOM 297 O VAL A 18 2.723 3.447 3.164 1.00 0.00 O ATOM 298 CB VAL A 18 3.980 0.608 2.324 1.00 0.00 C ATOM 299 CG1 VAL A 18 2.492 0.358 2.358 1.00 0.00 C ATOM 300 CG2 VAL A 18 4.430 0.909 0.902 1.00 0.00 C ATOM 0 H VAL A 18 3.008 1.164 4.762 1.00 0.00 H new ATOM 0 HA VAL A 18 5.494 1.766 3.302 1.00 0.00 H new ATOM 0 HB VAL A 18 4.483 -0.299 2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.241 -0.437 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.196 0.061 3.364 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.963 1.269 2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.119 0.098 0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.978 1.843 0.567 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.516 1.002 0.876 1.00 0.00 H new ATOM 310 N LYS A 19 4.735 3.882 2.251 1.00 0.00 N ATOM 311 CA LYS A 19 4.343 5.197 1.807 1.00 0.00 C ATOM 312 C LYS A 19 3.874 5.094 0.374 1.00 0.00 C ATOM 313 O LYS A 19 4.673 4.837 -0.546 1.00 0.00 O ATOM 314 CB LYS A 19 5.498 6.192 1.948 1.00 0.00 C ATOM 315 CG LYS A 19 5.117 7.636 1.661 1.00 0.00 C ATOM 316 CD LYS A 19 6.295 8.567 1.880 1.00 0.00 C ATOM 317 CE LYS A 19 5.917 10.014 1.620 1.00 0.00 C ATOM 318 NZ LYS A 19 7.060 10.932 1.804 1.00 0.00 N ATOM 0 H LYS A 19 5.700 3.628 2.038 1.00 0.00 H new ATOM 0 HA LYS A 19 3.530 5.572 2.429 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.896 6.128 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.300 5.898 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.766 7.725 0.633 1.00 0.00 H new ATOM 0 HG3 LYS A 19 4.291 7.932 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.657 8.463 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.114 8.280 1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.536 10.111 0.604 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.109 10.303 2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.755 11.908 1.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 7.409 10.860 2.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.822 10.674 1.145 1.00 0.00 H new ATOM 332 N VAL A 20 2.600 5.274 0.194 1.00 0.00 N ATOM 333 CA VAL A 20 1.977 5.091 -1.080 1.00 0.00 C ATOM 334 C VAL A 20 1.462 6.430 -1.602 1.00 0.00 C ATOM 335 O VAL A 20 1.130 7.333 -0.826 1.00 0.00 O ATOM 336 CB VAL A 20 0.801 4.062 -0.964 1.00 0.00 C ATOM 337 CG1 VAL A 20 -0.325 4.602 -0.106 1.00 0.00 C ATOM 338 CG2 VAL A 20 0.281 3.606 -2.325 1.00 0.00 C ATOM 0 H VAL A 20 1.958 5.555 0.936 1.00 0.00 H new ATOM 0 HA VAL A 20 2.712 4.698 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 20 1.212 3.181 -0.472 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -1.124 3.863 -0.047 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.050 4.812 0.896 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -0.712 5.520 -0.549 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.532 2.894 -2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.084 4.468 -2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 20 1.088 3.129 -2.882 1.00 0.00 H new ATOM 348 N ARG A 21 1.450 6.563 -2.888 1.00 0.00 N ATOM 349 CA ARG A 21 0.915 7.715 -3.529 1.00 0.00 C ATOM 350 C ARG A 21 -0.452 7.348 -4.062 1.00 0.00 C ATOM 351 O ARG A 21 -0.584 6.397 -4.852 1.00 0.00 O ATOM 352 CB ARG A 21 1.845 8.170 -4.657 1.00 0.00 C ATOM 353 CG ARG A 21 1.410 9.432 -5.385 1.00 0.00 C ATOM 354 CD ARG A 21 2.468 9.843 -6.396 1.00 0.00 C ATOM 355 NE ARG A 21 2.112 11.048 -7.154 1.00 0.00 N ATOM 356 CZ ARG A 21 2.945 12.074 -7.414 1.00 0.00 C ATOM 357 NH1 ARG A 21 4.178 12.097 -6.903 1.00 0.00 N ATOM 358 NH2 ARG A 21 2.544 13.068 -8.196 1.00 0.00 N ATOM 0 H ARG A 21 1.818 5.862 -3.531 1.00 0.00 H new ATOM 0 HA ARG A 21 0.828 8.545 -2.827 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.840 8.333 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 21 1.931 7.362 -5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.460 9.260 -5.891 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.248 10.237 -4.668 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.410 10.015 -5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.634 9.021 -7.092 1.00 0.00 H new ATOM 0 HE ARG A 21 1.159 11.114 -7.512 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.498 11.332 -6.309 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.800 12.879 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG A 21 1.607 13.054 -8.599 1.00 0.00 H new ATOM 0 HH22 ARG A 21 3.173 13.846 -8.395 1.00 0.00 H new ATOM 372 N ILE A 22 -1.450 8.040 -3.583 1.00 0.00 N ATOM 373 CA ILE A 22 -2.813 7.818 -3.996 1.00 0.00 C ATOM 374 C ILE A 22 -3.023 8.573 -5.267 1.00 0.00 C ATOM 375 O ILE A 22 -2.923 9.812 -5.274 1.00 0.00 O ATOM 376 CB ILE A 22 -3.835 8.345 -2.948 1.00 0.00 C ATOM 377 CG1 ILE A 22 -3.539 7.793 -1.549 1.00 0.00 C ATOM 378 CG2 ILE A 22 -5.274 8.017 -3.370 1.00 0.00 C ATOM 379 CD1 ILE A 22 -3.552 6.287 -1.454 1.00 0.00 C ATOM 0 H ILE A 22 -1.341 8.780 -2.890 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.972 6.746 -4.113 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.731 9.429 -2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.563 8.156 -1.228 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.274 8.195 -0.851 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.968 8.396 -2.620 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.487 8.485 -4.331 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -5.390 6.937 -3.458 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.333 5.985 -0.430 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.535 5.913 -1.740 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.797 5.874 -2.123 1.00 0.00 H new ATOM 391 N LEU A 23 -3.268 7.864 -6.319 1.00 0.00 N ATOM 392 CA LEU A 23 -3.483 8.467 -7.591 1.00 0.00 C ATOM 393 C LEU A 23 -4.968 8.716 -7.727 1.00 0.00 C ATOM 394 O LEU A 23 -5.756 7.791 -7.882 1.00 0.00 O ATOM 395 CB LEU A 23 -2.987 7.533 -8.701 1.00 0.00 C ATOM 396 CG LEU A 23 -1.539 7.035 -8.562 1.00 0.00 C ATOM 397 CD1 LEU A 23 -1.183 6.085 -9.691 1.00 0.00 C ATOM 398 CD2 LEU A 23 -0.564 8.197 -8.519 1.00 0.00 C ATOM 0 H LEU A 23 -3.325 6.846 -6.320 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.934 9.405 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.647 6.666 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.083 8.051 -9.655 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.463 6.493 -7.620 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.154 5.746 -9.571 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.853 5.225 -9.668 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.286 6.600 -10.646 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.452 7.816 -8.420 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.647 8.776 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -0.796 8.836 -7.667 1.00 0.00 H new ATOM 410 N LYS A 24 -5.337 9.944 -7.681 1.00 0.00 N ATOM 411 CA LYS A 24 -6.719 10.314 -7.689 1.00 0.00 C ATOM 412 C LYS A 24 -7.159 10.642 -9.087 1.00 0.00 C ATOM 413 O LYS A 24 -6.680 11.600 -9.689 1.00 0.00 O ATOM 414 CB LYS A 24 -6.966 11.508 -6.762 1.00 0.00 C ATOM 415 CG LYS A 24 -6.649 11.253 -5.289 1.00 0.00 C ATOM 416 CD LYS A 24 -6.939 12.489 -4.439 1.00 0.00 C ATOM 417 CE LYS A 24 -8.428 12.823 -4.392 1.00 0.00 C ATOM 418 NZ LYS A 24 -9.223 11.837 -3.621 1.00 0.00 N ATOM 0 H LYS A 24 -4.690 10.732 -7.636 1.00 0.00 H new ATOM 0 HA LYS A 24 -7.303 9.470 -7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -6.365 12.349 -7.108 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.011 11.806 -6.848 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.241 10.413 -4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.601 10.973 -5.183 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.574 12.324 -3.425 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.390 13.341 -4.841 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.559 13.811 -3.950 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.814 12.876 -5.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.212 12.154 -3.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.180 10.911 -4.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -8.835 11.753 -2.660 1.00 0.00 H new ATOM 432 N SER A 25 -8.027 9.836 -9.621 1.00 0.00 N ATOM 433 CA SER A 25 -8.549 10.068 -10.921 1.00 0.00 C ATOM 434 C SER A 25 -10.039 10.394 -10.852 1.00 0.00 C ATOM 435 O SER A 25 -10.911 9.548 -11.128 1.00 0.00 O ATOM 436 CB SER A 25 -8.278 8.877 -11.834 1.00 0.00 C ATOM 437 OG SER A 25 -6.889 8.581 -11.851 1.00 0.00 O ATOM 0 H SER A 25 -8.389 9.000 -9.162 1.00 0.00 H new ATOM 0 HA SER A 25 -8.040 10.932 -11.349 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.839 8.009 -11.488 1.00 0.00 H new ATOM 0 HB3 SER A 25 -8.623 9.097 -12.844 1.00 0.00 H new ATOM 0 HG SER A 25 -6.725 7.814 -12.438 1.00 0.00 H new ATOM 443 N ARG A 26 -10.332 11.599 -10.424 1.00 0.00 N ATOM 444 CA ARG A 26 -11.690 12.080 -10.395 1.00 0.00 C ATOM 445 C ARG A 26 -11.999 12.617 -11.785 1.00 0.00 C ATOM 446 O ARG A 26 -13.153 12.695 -12.209 1.00 0.00 O ATOM 447 CB ARG A 26 -11.858 13.167 -9.335 1.00 0.00 C ATOM 448 CG ARG A 26 -13.303 13.474 -9.012 1.00 0.00 C ATOM 449 CD ARG A 26 -13.422 14.547 -7.951 1.00 0.00 C ATOM 450 NE ARG A 26 -14.795 14.656 -7.446 1.00 0.00 N ATOM 451 CZ ARG A 26 -15.291 15.701 -6.773 1.00 0.00 C ATOM 452 NH1 ARG A 26 -14.540 16.784 -6.568 1.00 0.00 N ATOM 453 NH2 ARG A 26 -16.540 15.661 -6.316 1.00 0.00 N ATOM 0 H ARG A 26 -9.640 12.269 -10.088 1.00 0.00 H new ATOM 0 HA ARG A 26 -12.380 11.279 -10.132 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -11.348 12.857 -8.423 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.369 14.078 -9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -13.818 13.798 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -13.800 12.567 -8.670 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -12.747 14.320 -7.126 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -13.109 15.505 -8.365 1.00 0.00 H new ATOM 0 HE ARG A 26 -15.423 13.872 -7.622 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.585 16.817 -6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.921 17.579 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -17.116 14.835 -6.479 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -16.921 16.456 -5.803 1.00 0.00 H new ATOM 467 N ASP A 27 -10.915 12.959 -12.495 1.00 0.00 N ATOM 468 CA ASP A 27 -10.956 13.373 -13.905 1.00 0.00 C ATOM 469 C ASP A 27 -11.506 12.257 -14.749 1.00 0.00 C ATOM 470 O ASP A 27 -12.134 12.486 -15.784 1.00 0.00 O ATOM 471 CB ASP A 27 -9.554 13.719 -14.429 1.00 0.00 C ATOM 472 CG ASP A 27 -9.045 15.074 -14.017 1.00 0.00 C ATOM 473 OD1 ASP A 27 -8.464 15.208 -12.914 1.00 0.00 O ATOM 474 OD2 ASP A 27 -9.184 16.028 -14.800 1.00 0.00 O ATOM 0 H ASP A 27 -9.974 12.956 -12.102 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.592 14.256 -13.968 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -8.853 12.961 -14.079 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.564 13.666 -15.518 1.00 0.00 H new ATOM 479 N ASP A 28 -11.251 11.046 -14.309 1.00 0.00 N ATOM 480 CA ASP A 28 -11.748 9.866 -14.979 1.00 0.00 C ATOM 481 C ASP A 28 -13.207 9.705 -14.637 1.00 0.00 C ATOM 482 O ASP A 28 -14.091 9.783 -15.496 1.00 0.00 O ATOM 483 CB ASP A 28 -10.978 8.634 -14.513 1.00 0.00 C ATOM 484 CG ASP A 28 -11.409 7.379 -15.232 1.00 0.00 C ATOM 485 OD1 ASP A 28 -12.350 6.713 -14.784 1.00 0.00 O ATOM 486 OD2 ASP A 28 -10.795 7.050 -16.266 1.00 0.00 O ATOM 0 H ASP A 28 -10.694 10.851 -13.477 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.619 9.972 -16.056 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.912 8.793 -14.674 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -11.123 8.503 -13.441 1.00 0.00 H new ATOM 491 N ASN A 29 -13.450 9.559 -13.364 1.00 0.00 N ATOM 492 CA ASN A 29 -14.775 9.418 -12.815 1.00 0.00 C ATOM 493 C ASN A 29 -14.676 9.597 -11.312 1.00 0.00 C ATOM 494 O ASN A 29 -14.901 10.678 -10.781 1.00 0.00 O ATOM 495 CB ASN A 29 -15.391 8.036 -13.169 1.00 0.00 C ATOM 496 CG ASN A 29 -16.745 7.795 -12.515 1.00 0.00 C ATOM 497 OD1 ASN A 29 -17.533 8.720 -12.311 1.00 0.00 O ATOM 498 ND2 ASN A 29 -17.012 6.562 -12.169 1.00 0.00 N ATOM 0 H ASN A 29 -12.714 9.534 -12.659 1.00 0.00 H new ATOM 0 HA ASN A 29 -15.434 10.173 -13.243 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -15.499 7.961 -14.251 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -14.702 7.249 -12.862 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -17.898 6.340 -11.714 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -16.335 5.822 -12.354 1.00 0.00 H new ATOM 505 N SER A 30 -14.278 8.546 -10.658 1.00 0.00 N ATOM 506 CA SER A 30 -14.034 8.486 -9.236 1.00 0.00 C ATOM 507 C SER A 30 -13.268 7.209 -9.001 1.00 0.00 C ATOM 508 O SER A 30 -13.806 6.213 -8.535 1.00 0.00 O ATOM 509 CB SER A 30 -15.343 8.501 -8.403 1.00 0.00 C ATOM 510 OG SER A 30 -16.082 9.711 -8.599 1.00 0.00 O ATOM 0 H SER A 30 -14.104 7.655 -11.123 1.00 0.00 H new ATOM 0 HA SER A 30 -13.477 9.365 -8.913 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.961 7.648 -8.682 1.00 0.00 H new ATOM 0 HB3 SER A 30 -15.103 8.389 -7.346 1.00 0.00 H new ATOM 0 HG SER A 30 -15.545 10.341 -9.123 1.00 0.00 H new ATOM 516 N VAL A 31 -12.052 7.207 -9.472 1.00 0.00 N ATOM 517 CA VAL A 31 -11.207 6.042 -9.407 1.00 0.00 C ATOM 518 C VAL A 31 -9.899 6.440 -8.793 1.00 0.00 C ATOM 519 O VAL A 31 -9.221 7.327 -9.296 1.00 0.00 O ATOM 520 CB VAL A 31 -10.943 5.456 -10.832 1.00 0.00 C ATOM 521 CG1 VAL A 31 -10.053 4.220 -10.775 1.00 0.00 C ATOM 522 CG2 VAL A 31 -12.248 5.126 -11.535 1.00 0.00 C ATOM 0 H VAL A 31 -11.615 8.016 -9.914 1.00 0.00 H new ATOM 0 HA VAL A 31 -11.704 5.278 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 31 -10.421 6.224 -11.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -9.892 3.841 -11.784 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -9.094 4.482 -10.328 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.536 3.451 -10.172 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -12.036 4.720 -12.524 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -12.800 4.389 -10.951 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.846 6.032 -11.635 1.00 0.00 H new ATOM 532 N GLU A 32 -9.567 5.845 -7.700 1.00 0.00 N ATOM 533 CA GLU A 32 -8.315 6.123 -7.078 1.00 0.00 C ATOM 534 C GLU A 32 -7.412 4.924 -7.190 1.00 0.00 C ATOM 535 O GLU A 32 -7.748 3.822 -6.735 1.00 0.00 O ATOM 536 CB GLU A 32 -8.494 6.581 -5.638 1.00 0.00 C ATOM 537 CG GLU A 32 -9.302 7.862 -5.536 1.00 0.00 C ATOM 538 CD GLU A 32 -9.470 8.349 -4.135 1.00 0.00 C ATOM 539 OE1 GLU A 32 -10.364 7.859 -3.425 1.00 0.00 O ATOM 540 OE2 GLU A 32 -8.744 9.269 -3.726 1.00 0.00 O ATOM 0 H GLU A 32 -10.146 5.160 -7.215 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.839 6.953 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -8.990 5.795 -5.068 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -7.515 6.735 -5.184 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -8.814 8.638 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -10.286 7.698 -5.976 1.00 0.00 H new ATOM 547 N LYS A 33 -6.311 5.125 -7.848 1.00 0.00 N ATOM 548 CA LYS A 33 -5.333 4.101 -8.055 1.00 0.00 C ATOM 549 C LYS A 33 -4.227 4.263 -7.053 1.00 0.00 C ATOM 550 O LYS A 33 -4.154 5.271 -6.348 1.00 0.00 O ATOM 551 CB LYS A 33 -4.776 4.122 -9.487 1.00 0.00 C ATOM 552 CG LYS A 33 -5.759 3.691 -10.569 1.00 0.00 C ATOM 553 CD LYS A 33 -6.209 2.248 -10.360 1.00 0.00 C ATOM 554 CE LYS A 33 -7.043 1.745 -11.527 1.00 0.00 C ATOM 555 NZ LYS A 33 -6.275 1.715 -12.790 1.00 0.00 N ATOM 0 H LYS A 33 -6.063 6.023 -8.264 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.814 3.133 -7.916 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.432 5.132 -9.712 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.903 3.471 -9.530 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.627 4.351 -10.560 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.293 3.791 -11.549 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.335 1.609 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.790 2.177 -9.440 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.411 0.744 -11.304 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.916 2.385 -11.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.766 1.112 -13.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.193 2.680 -13.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -5.325 1.332 -12.610 1.00 0.00 H new ATOM 569 N TYR A 34 -3.379 3.301 -6.981 1.00 0.00 N ATOM 570 CA TYR A 34 -2.326 3.309 -6.026 1.00 0.00 C ATOM 571 C TYR A 34 -1.046 3.043 -6.760 1.00 0.00 C ATOM 572 O TYR A 34 -1.057 2.348 -7.781 1.00 0.00 O ATOM 573 CB TYR A 34 -2.605 2.252 -4.938 1.00 0.00 C ATOM 574 CG TYR A 34 -3.979 2.428 -4.291 1.00 0.00 C ATOM 575 CD1 TYR A 34 -4.177 3.346 -3.276 1.00 0.00 C ATOM 576 CD2 TYR A 34 -5.083 1.697 -4.731 1.00 0.00 C ATOM 577 CE1 TYR A 34 -5.429 3.535 -2.714 1.00 0.00 C ATOM 578 CE2 TYR A 34 -6.334 1.879 -4.168 1.00 0.00 C ATOM 579 CZ TYR A 34 -6.499 2.802 -3.163 1.00 0.00 C ATOM 580 OH TYR A 34 -7.742 2.996 -2.602 1.00 0.00 O ATOM 0 H TYR A 34 -3.395 2.480 -7.586 1.00 0.00 H new ATOM 0 HA TYR A 34 -2.251 4.272 -5.521 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -2.538 1.257 -5.377 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -1.834 2.314 -4.170 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -3.341 3.926 -2.915 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -4.959 0.976 -5.525 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.563 4.258 -1.923 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.176 1.299 -4.516 1.00 0.00 H new ATOM 0 HH TYR A 34 -8.391 2.401 -3.032 1.00 0.00 H new ATOM 590 N VAL A 35 0.028 3.647 -6.307 1.00 0.00 N ATOM 591 CA VAL A 35 1.315 3.478 -6.949 1.00 0.00 C ATOM 592 C VAL A 35 1.819 2.022 -6.787 1.00 0.00 C ATOM 593 O VAL A 35 1.514 1.350 -5.807 1.00 0.00 O ATOM 594 CB VAL A 35 2.358 4.511 -6.422 1.00 0.00 C ATOM 595 CG1 VAL A 35 2.707 4.261 -4.975 1.00 0.00 C ATOM 596 CG2 VAL A 35 3.608 4.570 -7.299 1.00 0.00 C ATOM 0 H VAL A 35 0.038 4.262 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 35 1.188 3.671 -8.014 1.00 0.00 H new ATOM 0 HB VAL A 35 1.885 5.491 -6.480 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.436 5.000 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 35 1.807 4.340 -4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.130 3.262 -4.870 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.304 5.303 -6.891 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.084 3.590 -7.320 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.328 4.859 -8.312 1.00 0.00 H new ATOM 606 N LEU A 36 2.592 1.576 -7.749 1.00 0.00 N ATOM 607 CA LEU A 36 3.073 0.212 -7.840 1.00 0.00 C ATOM 608 C LEU A 36 4.245 -0.082 -6.902 1.00 0.00 C ATOM 609 O LEU A 36 4.701 -1.221 -6.817 1.00 0.00 O ATOM 610 CB LEU A 36 3.450 -0.142 -9.295 1.00 0.00 C ATOM 611 CG LEU A 36 2.311 -0.190 -10.353 1.00 0.00 C ATOM 612 CD1 LEU A 36 1.161 -1.077 -9.898 1.00 0.00 C ATOM 613 CD2 LEU A 36 1.818 1.203 -10.746 1.00 0.00 C ATOM 0 H LEU A 36 2.915 2.168 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 36 2.247 -0.421 -7.516 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.190 0.583 -9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.939 -1.116 -9.286 1.00 0.00 H new ATOM 0 HG LEU A 36 2.740 -0.636 -11.250 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.384 -1.086 -10.662 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.525 -2.092 -9.739 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.749 -0.689 -8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.023 1.112 -11.487 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.435 1.716 -9.864 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.644 1.776 -11.168 1.00 0.00 H new ATOM 625 N THR A 37 4.721 0.917 -6.203 1.00 0.00 N ATOM 626 CA THR A 37 5.873 0.735 -5.360 1.00 0.00 C ATOM 627 C THR A 37 5.419 0.316 -3.964 1.00 0.00 C ATOM 628 O THR A 37 4.295 0.594 -3.542 1.00 0.00 O ATOM 629 CB THR A 37 6.763 2.023 -5.292 1.00 0.00 C ATOM 630 OG1 THR A 37 7.991 1.764 -4.588 1.00 0.00 O ATOM 631 CG2 THR A 37 6.044 3.175 -4.614 1.00 0.00 C ATOM 0 H THR A 37 4.331 1.859 -6.201 1.00 0.00 H new ATOM 0 HA THR A 37 6.491 -0.051 -5.794 1.00 0.00 H new ATOM 0 HB THR A 37 6.980 2.304 -6.323 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.531 2.582 -4.560 1.00 0.00 H new ATOM 0 HG21 THR A 37 6.697 4.047 -4.589 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.138 3.416 -5.170 1.00 0.00 H new ATOM 0 HG23 THR A 37 5.780 2.890 -3.596 1.00 0.00 H new ATOM 639 N SER A 38 6.273 -0.378 -3.285 1.00 0.00 N ATOM 640 CA SER A 38 5.979 -0.919 -2.002 1.00 0.00 C ATOM 641 C SER A 38 7.075 -0.522 -1.004 1.00 0.00 C ATOM 642 O SER A 38 7.311 -1.209 -0.014 1.00 0.00 O ATOM 643 CB SER A 38 5.851 -2.431 -2.143 1.00 0.00 C ATOM 644 OG SER A 38 4.875 -2.747 -3.143 1.00 0.00 O ATOM 0 H SER A 38 7.215 -0.588 -3.616 1.00 0.00 H new ATOM 0 HA SER A 38 5.040 -0.522 -1.616 1.00 0.00 H new ATOM 0 HB2 SER A 38 6.815 -2.862 -2.414 1.00 0.00 H new ATOM 0 HB3 SER A 38 5.562 -2.871 -1.188 1.00 0.00 H new ATOM 0 HG SER A 38 4.799 -3.720 -3.230 1.00 0.00 H new ATOM 650 N HIS A 39 7.741 0.602 -1.287 1.00 0.00 N ATOM 651 CA HIS A 39 8.792 1.133 -0.409 1.00 0.00 C ATOM 652 C HIS A 39 8.265 1.452 0.988 1.00 0.00 C ATOM 653 O HIS A 39 7.504 2.426 1.205 1.00 0.00 O ATOM 654 CB HIS A 39 9.515 2.347 -1.017 1.00 0.00 C ATOM 655 CG HIS A 39 10.530 2.010 -2.072 1.00 0.00 C ATOM 656 ND1 HIS A 39 11.607 2.817 -2.365 1.00 0.00 N ATOM 657 CD2 HIS A 39 10.628 0.949 -2.907 1.00 0.00 C ATOM 658 CE1 HIS A 39 12.318 2.267 -3.329 1.00 0.00 C ATOM 659 NE2 HIS A 39 11.745 1.135 -3.674 1.00 0.00 N ATOM 0 H HIS A 39 7.571 1.165 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 39 9.530 0.337 -0.311 1.00 0.00 H new ATOM 0 HB2 HIS A 39 8.771 3.017 -1.449 1.00 0.00 H new ATOM 0 HB3 HIS A 39 10.012 2.895 -0.216 1.00 0.00 H new ATOM 0 HD2 HIS A 39 9.949 0.110 -2.958 1.00 0.00 H new ATOM 0 HE1 HIS A 39 13.219 2.677 -3.762 1.00 0.00 H new ATOM 0 HE2 HIS A 39 12.080 0.498 -4.397 1.00 0.00 H new ATOM 668 N VAL A 40 8.660 0.613 1.910 1.00 0.00 N ATOM 669 CA VAL A 40 8.257 0.700 3.284 1.00 0.00 C ATOM 670 C VAL A 40 9.147 1.614 4.101 1.00 0.00 C ATOM 671 O VAL A 40 10.343 1.769 3.827 1.00 0.00 O ATOM 672 CB VAL A 40 8.184 -0.701 3.958 1.00 0.00 C ATOM 673 CG1 VAL A 40 6.965 -1.443 3.478 1.00 0.00 C ATOM 674 CG2 VAL A 40 9.432 -1.530 3.648 1.00 0.00 C ATOM 0 H VAL A 40 9.287 -0.169 1.718 1.00 0.00 H new ATOM 0 HA VAL A 40 7.258 1.135 3.266 1.00 0.00 H new ATOM 0 HB VAL A 40 8.124 -0.549 5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.923 -2.422 3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.070 -0.876 3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.018 -1.569 2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.352 -2.503 4.132 1.00 0.00 H new ATOM 0 HG22 VAL A 40 9.519 -1.667 2.570 1.00 0.00 H new ATOM 0 HG23 VAL A 40 10.315 -1.011 4.020 1.00 0.00 H new ATOM 684 N SER A 41 8.546 2.230 5.060 1.00 0.00 N ATOM 685 CA SER A 41 9.196 3.065 5.988 1.00 0.00 C ATOM 686 C SER A 41 9.225 2.312 7.303 1.00 0.00 C ATOM 687 O SER A 41 8.203 1.750 7.730 1.00 0.00 O ATOM 688 CB SER A 41 8.430 4.394 6.137 1.00 0.00 C ATOM 689 OG SER A 41 9.103 5.304 7.011 1.00 0.00 O ATOM 0 H SER A 41 7.541 2.156 5.219 1.00 0.00 H new ATOM 0 HA SER A 41 10.206 3.310 5.660 1.00 0.00 H new ATOM 0 HB2 SER A 41 8.309 4.855 5.157 1.00 0.00 H new ATOM 0 HB3 SER A 41 7.430 4.195 6.521 1.00 0.00 H new ATOM 0 HG SER A 41 8.587 6.135 7.078 1.00 0.00 H new ATOM 695 N LYS A 42 10.373 2.294 7.926 1.00 0.00 N ATOM 696 CA LYS A 42 10.585 1.584 9.183 1.00 0.00 C ATOM 697 C LYS A 42 10.144 2.441 10.370 1.00 0.00 C ATOM 698 O LYS A 42 10.470 2.156 11.518 1.00 0.00 O ATOM 699 CB LYS A 42 12.070 1.205 9.307 1.00 0.00 C ATOM 700 CG LYS A 42 13.019 2.394 9.260 1.00 0.00 C ATOM 701 CD LYS A 42 14.469 1.961 9.229 1.00 0.00 C ATOM 702 CE LYS A 42 15.380 3.171 9.216 1.00 0.00 C ATOM 703 NZ LYS A 42 16.803 2.806 9.103 1.00 0.00 N ATOM 0 H LYS A 42 11.204 2.774 7.580 1.00 0.00 H new ATOM 0 HA LYS A 42 9.982 0.676 9.188 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.221 0.670 10.245 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.327 0.516 8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.802 2.997 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 42 12.849 3.029 10.130 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.689 1.341 10.098 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.654 1.349 8.346 1.00 0.00 H new ATOM 0 HE2 LYS A 42 15.107 3.818 8.382 1.00 0.00 H new ATOM 0 HE3 LYS A 42 15.227 3.746 10.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 17.383 3.669 9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 17.074 2.211 9.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 16.957 2.280 8.219 1.00 0.00 H new ATOM 717 N ASN A 43 9.391 3.470 10.083 1.00 0.00 N ATOM 718 CA ASN A 43 8.911 4.375 11.086 1.00 0.00 C ATOM 719 C ASN A 43 7.420 4.456 10.994 1.00 0.00 C ATOM 720 O ASN A 43 6.854 4.293 9.910 1.00 0.00 O ATOM 721 CB ASN A 43 9.503 5.781 10.905 1.00 0.00 C ATOM 722 CG ASN A 43 11.006 5.841 11.086 1.00 0.00 C ATOM 723 OD1 ASN A 43 11.496 6.015 12.203 1.00 0.00 O ATOM 724 ND2 ASN A 43 11.745 5.736 10.002 1.00 0.00 N ATOM 0 H ASN A 43 9.092 3.703 9.136 1.00 0.00 H new ATOM 0 HA ASN A 43 9.218 3.999 12.062 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.252 6.145 9.909 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.033 6.457 11.619 1.00 0.00 H new ATOM 0 HD21 ASN A 43 12.761 5.798 10.069 1.00 0.00 H new ATOM 0 HD22 ASN A 43 11.302 5.592 9.095 1.00 0.00 H new ATOM 731 N ARG A 44 6.776 4.679 12.109 1.00 0.00 N ATOM 732 CA ARG A 44 5.350 4.851 12.108 1.00 0.00 C ATOM 733 C ARG A 44 5.078 6.342 12.027 1.00 0.00 C ATOM 734 O ARG A 44 5.537 7.103 12.881 1.00 0.00 O ATOM 735 CB ARG A 44 4.694 4.224 13.347 1.00 0.00 C ATOM 736 CG ARG A 44 5.020 2.745 13.524 1.00 0.00 C ATOM 737 CD ARG A 44 4.225 2.109 14.656 1.00 0.00 C ATOM 738 NE ARG A 44 2.781 2.043 14.365 1.00 0.00 N ATOM 739 CZ ARG A 44 1.900 1.268 15.023 1.00 0.00 C ATOM 740 NH1 ARG A 44 2.294 0.538 16.061 1.00 0.00 N ATOM 741 NH2 ARG A 44 0.632 1.221 14.629 1.00 0.00 N ATOM 0 H ARG A 44 7.216 4.745 13.027 1.00 0.00 H new ATOM 0 HA ARG A 44 4.912 4.336 11.253 1.00 0.00 H new ATOM 0 HB2 ARG A 44 5.017 4.768 14.234 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.613 4.344 13.276 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.811 2.216 12.594 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.086 2.632 13.723 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.602 1.103 14.839 1.00 0.00 H new ATOM 0 HD3 ARG A 44 4.382 2.680 15.571 1.00 0.00 H new ATOM 0 HE ARG A 44 2.424 2.628 13.609 1.00 0.00 H new ATOM 0 HH11 ARG A 44 3.268 0.564 16.362 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.622 -0.048 16.557 1.00 0.00 H new ATOM 0 HH21 ARG A 44 0.326 1.773 13.827 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.036 0.633 15.128 1.00 0.00 H new ATOM 755 N PRO A 45 4.393 6.790 10.974 1.00 0.00 N ATOM 756 CA PRO A 45 4.172 8.209 10.732 1.00 0.00 C ATOM 757 C PRO A 45 3.273 8.866 11.765 1.00 0.00 C ATOM 758 O PRO A 45 2.186 8.356 12.094 1.00 0.00 O ATOM 759 CB PRO A 45 3.514 8.253 9.357 1.00 0.00 C ATOM 760 CG PRO A 45 2.901 6.910 9.184 1.00 0.00 C ATOM 761 CD PRO A 45 3.771 5.951 9.939 1.00 0.00 C ATOM 0 HA PRO A 45 5.110 8.761 10.792 1.00 0.00 H new ATOM 0 HB2 PRO A 45 2.762 9.040 9.304 1.00 0.00 H new ATOM 0 HB3 PRO A 45 4.246 8.457 8.575 1.00 0.00 H new ATOM 0 HG2 PRO A 45 1.881 6.895 9.569 1.00 0.00 H new ATOM 0 HG3 PRO A 45 2.848 6.640 8.129 1.00 0.00 H new ATOM 0 HD2 PRO A 45 3.188 5.140 10.377 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.519 5.493 9.292 1.00 0.00 H new ATOM 769 N LYS A 46 3.745 9.973 12.280 1.00 0.00 N ATOM 770 CA LYS A 46 3.004 10.772 13.214 1.00 0.00 C ATOM 771 C LYS A 46 1.934 11.546 12.463 1.00 0.00 C ATOM 772 O LYS A 46 0.740 11.393 12.716 1.00 0.00 O ATOM 773 CB LYS A 46 3.940 11.755 13.937 1.00 0.00 C ATOM 774 CG LYS A 46 3.225 12.682 14.918 1.00 0.00 C ATOM 775 CD LYS A 46 4.155 13.719 15.530 1.00 0.00 C ATOM 776 CE LYS A 46 5.284 13.089 16.327 1.00 0.00 C ATOM 777 NZ LYS A 46 6.131 14.108 16.977 1.00 0.00 N ATOM 0 H LYS A 46 4.667 10.347 12.057 1.00 0.00 H new ATOM 0 HA LYS A 46 2.542 10.121 13.956 1.00 0.00 H new ATOM 0 HB2 LYS A 46 4.700 11.189 14.475 1.00 0.00 H new ATOM 0 HB3 LYS A 46 4.460 12.360 13.194 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.410 13.190 14.403 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.777 12.087 15.714 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.575 14.338 14.737 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.580 14.379 16.180 1.00 0.00 H new ATOM 0 HE2 LYS A 46 4.868 12.425 17.085 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.896 12.475 15.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.890 13.639 17.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.549 14.726 16.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.552 14.678 17.626 1.00 0.00 H new ATOM 791 N ASN A 47 2.355 12.337 11.509 1.00 0.00 N ATOM 792 CA ASN A 47 1.430 13.170 10.787 1.00 0.00 C ATOM 793 C ASN A 47 1.267 12.701 9.361 1.00 0.00 C ATOM 794 O ASN A 47 2.015 13.103 8.469 1.00 0.00 O ATOM 795 CB ASN A 47 1.850 14.637 10.802 1.00 0.00 C ATOM 796 CG ASN A 47 0.822 15.517 10.116 1.00 0.00 C ATOM 797 OD1 ASN A 47 -0.381 15.243 10.162 1.00 0.00 O ATOM 798 ND2 ASN A 47 1.275 16.553 9.458 1.00 0.00 N ATOM 0 H ASN A 47 3.328 12.421 11.216 1.00 0.00 H new ATOM 0 HA ASN A 47 0.472 13.085 11.299 1.00 0.00 H new ATOM 0 HB2 ASN A 47 1.984 14.968 11.832 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.814 14.746 10.304 1.00 0.00 H new ATOM 0 HD21 ASN A 47 0.627 17.165 8.961 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.276 16.749 9.442 1.00 0.00 H new ATOM 805 N ALA A 48 0.342 11.812 9.168 1.00 0.00 N ATOM 806 CA ALA A 48 -0.004 11.305 7.872 1.00 0.00 C ATOM 807 C ALA A 48 -1.332 10.623 7.986 1.00 0.00 C ATOM 808 O ALA A 48 -1.806 10.380 9.101 1.00 0.00 O ATOM 809 CB ALA A 48 1.043 10.325 7.367 1.00 0.00 C ATOM 0 H ALA A 48 -0.208 11.407 9.925 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.051 12.128 7.158 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.753 9.958 6.383 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.008 10.827 7.297 1.00 0.00 H new ATOM 0 HB3 ALA A 48 1.120 9.486 8.059 1.00 0.00 H new ATOM 815 N ILE A 49 -1.937 10.345 6.877 1.00 0.00 N ATOM 816 CA ILE A 49 -3.183 9.632 6.850 1.00 0.00 C ATOM 817 C ILE A 49 -2.847 8.179 6.605 1.00 0.00 C ATOM 818 O ILE A 49 -2.013 7.878 5.736 1.00 0.00 O ATOM 819 CB ILE A 49 -4.109 10.150 5.704 1.00 0.00 C ATOM 820 CG1 ILE A 49 -4.371 11.667 5.839 1.00 0.00 C ATOM 821 CG2 ILE A 49 -5.431 9.375 5.656 1.00 0.00 C ATOM 822 CD1 ILE A 49 -5.046 12.083 7.135 1.00 0.00 C ATOM 0 H ILE A 49 -1.583 10.605 5.957 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.716 9.775 7.790 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.586 9.978 4.763 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.421 12.195 5.755 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -4.991 11.991 5.003 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.050 9.762 4.847 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.227 8.318 5.483 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.957 9.493 6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.189 13.164 7.140 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -6.014 11.588 7.216 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.420 11.796 7.980 1.00 0.00 H new ATOM 834 N VAL A 50 -3.408 7.293 7.381 1.00 0.00 N ATOM 835 CA VAL A 50 -3.160 5.899 7.175 1.00 0.00 C ATOM 836 C VAL A 50 -4.391 5.215 6.635 1.00 0.00 C ATOM 837 O VAL A 50 -5.531 5.510 7.044 1.00 0.00 O ATOM 838 CB VAL A 50 -2.611 5.147 8.434 1.00 0.00 C ATOM 839 CG1 VAL A 50 -1.283 5.740 8.881 1.00 0.00 C ATOM 840 CG2 VAL A 50 -3.610 5.142 9.585 1.00 0.00 C ATOM 0 H VAL A 50 -4.035 7.512 8.155 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.360 5.848 6.436 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.451 4.109 8.141 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.921 5.202 9.757 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.555 5.652 8.074 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.420 6.792 9.132 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.183 4.609 10.435 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.835 6.168 9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.527 4.645 9.269 1.00 0.00 H new ATOM 850 N ILE A 51 -4.181 4.384 5.676 1.00 0.00 N ATOM 851 CA ILE A 51 -5.230 3.599 5.108 1.00 0.00 C ATOM 852 C ILE A 51 -4.877 2.162 5.381 1.00 0.00 C ATOM 853 O ILE A 51 -3.780 1.733 5.078 1.00 0.00 O ATOM 854 CB ILE A 51 -5.361 3.826 3.580 1.00 0.00 C ATOM 855 CG1 ILE A 51 -5.450 5.327 3.272 1.00 0.00 C ATOM 856 CG2 ILE A 51 -6.605 3.108 3.052 1.00 0.00 C ATOM 857 CD1 ILE A 51 -5.462 5.648 1.798 1.00 0.00 C ATOM 0 H ILE A 51 -3.266 4.225 5.255 1.00 0.00 H new ATOM 0 HA ILE A 51 -6.187 3.879 5.548 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.478 3.419 3.086 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.354 5.729 3.729 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -4.605 5.834 3.738 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.691 3.272 1.978 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -6.520 2.040 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.491 3.501 3.551 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.526 6.727 1.661 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.546 5.278 1.338 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.322 5.171 1.329 1.00 0.00 H new ATOM 869 N LYS A 52 -5.756 1.447 5.988 1.00 0.00 N ATOM 870 CA LYS A 52 -5.482 0.090 6.370 1.00 0.00 C ATOM 871 C LYS A 52 -5.636 -0.808 5.148 1.00 0.00 C ATOM 872 O LYS A 52 -6.497 -0.545 4.302 1.00 0.00 O ATOM 873 CB LYS A 52 -6.452 -0.312 7.481 1.00 0.00 C ATOM 874 CG LYS A 52 -5.983 -1.454 8.360 1.00 0.00 C ATOM 875 CD LYS A 52 -7.047 -1.806 9.386 1.00 0.00 C ATOM 876 CE LYS A 52 -6.507 -2.698 10.495 1.00 0.00 C ATOM 877 NZ LYS A 52 -5.511 -2.000 11.359 1.00 0.00 N ATOM 0 H LYS A 52 -6.688 1.777 6.238 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.464 -0.012 6.745 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -6.640 0.558 8.111 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -7.404 -0.589 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -5.759 -2.326 7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.059 -1.175 8.866 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -7.446 -0.890 9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -7.876 -2.310 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.336 -3.047 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.044 -3.581 10.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.289 -2.594 12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.642 -1.825 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.906 -1.094 11.682 1.00 0.00 H new ATOM 891 N MET A 53 -4.813 -1.878 5.064 1.00 0.00 N ATOM 892 CA MET A 53 -4.833 -2.837 3.922 1.00 0.00 C ATOM 893 C MET A 53 -6.216 -3.411 3.702 1.00 0.00 C ATOM 894 O MET A 53 -6.551 -3.848 2.612 1.00 0.00 O ATOM 895 CB MET A 53 -3.831 -3.965 4.128 1.00 0.00 C ATOM 896 CG MET A 53 -2.381 -3.516 4.069 1.00 0.00 C ATOM 897 SD MET A 53 -1.202 -4.848 4.360 1.00 0.00 S ATOM 898 CE MET A 53 -1.568 -5.250 6.060 1.00 0.00 C ATOM 0 H MET A 53 -4.120 -2.105 5.777 1.00 0.00 H new ATOM 0 HA MET A 53 -4.548 -2.275 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.018 -4.432 5.095 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.996 -4.729 3.368 1.00 0.00 H new ATOM 0 HG2 MET A 53 -2.185 -3.075 3.091 1.00 0.00 H new ATOM 0 HG3 MET A 53 -2.221 -2.732 4.810 1.00 0.00 H new ATOM 0 HE1 MET A 53 -0.780 -5.888 6.461 1.00 0.00 H new ATOM 0 HE2 MET A 53 -1.626 -4.333 6.646 1.00 0.00 H new ATOM 0 HE3 MET A 53 -2.522 -5.775 6.112 1.00 0.00 H new ATOM 908 N ASP A 54 -6.991 -3.393 4.765 1.00 0.00 N ATOM 909 CA ASP A 54 -8.414 -3.749 4.781 1.00 0.00 C ATOM 910 C ASP A 54 -9.186 -3.068 3.640 1.00 0.00 C ATOM 911 O ASP A 54 -10.074 -3.662 3.040 1.00 0.00 O ATOM 912 CB ASP A 54 -9.008 -3.296 6.123 1.00 0.00 C ATOM 913 CG ASP A 54 -10.487 -3.578 6.264 1.00 0.00 C ATOM 914 OD1 ASP A 54 -10.845 -4.672 6.738 1.00 0.00 O ATOM 915 OD2 ASP A 54 -11.318 -2.705 5.944 1.00 0.00 O ATOM 0 H ASP A 54 -6.643 -3.120 5.684 1.00 0.00 H new ATOM 0 HA ASP A 54 -8.503 -4.827 4.649 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.474 -3.794 6.932 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.839 -2.226 6.241 1.00 0.00 H new ATOM 920 N ASN A 55 -8.816 -1.834 3.333 1.00 0.00 N ATOM 921 CA ASN A 55 -9.523 -1.054 2.317 1.00 0.00 C ATOM 922 C ASN A 55 -8.833 -1.153 0.954 1.00 0.00 C ATOM 923 O ASN A 55 -9.383 -0.743 -0.078 1.00 0.00 O ATOM 924 CB ASN A 55 -9.647 0.418 2.764 1.00 0.00 C ATOM 925 CG ASN A 55 -10.595 1.243 1.894 1.00 0.00 C ATOM 926 OD1 ASN A 55 -11.795 1.272 2.138 1.00 0.00 O ATOM 927 ND2 ASN A 55 -10.076 1.941 0.911 1.00 0.00 N ATOM 0 H ASN A 55 -8.032 -1.348 3.769 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.524 -1.471 2.207 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -9.996 0.448 3.796 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -8.659 0.878 2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.676 2.526 0.329 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -9.073 1.899 0.729 1.00 0.00 H new ATOM 934 N LEU A 56 -7.661 -1.727 0.936 1.00 0.00 N ATOM 935 CA LEU A 56 -6.888 -1.825 -0.287 1.00 0.00 C ATOM 936 C LEU A 56 -7.313 -3.032 -1.089 1.00 0.00 C ATOM 937 O LEU A 56 -7.554 -4.099 -0.515 1.00 0.00 O ATOM 938 CB LEU A 56 -5.363 -1.866 -0.008 1.00 0.00 C ATOM 939 CG LEU A 56 -4.658 -0.524 0.289 1.00 0.00 C ATOM 940 CD1 LEU A 56 -4.738 0.405 -0.902 1.00 0.00 C ATOM 941 CD2 LEU A 56 -5.233 0.155 1.509 1.00 0.00 C ATOM 0 H LEU A 56 -7.213 -2.138 1.755 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.088 -0.926 -0.870 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.193 -2.530 0.839 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -4.875 -2.319 -0.871 1.00 0.00 H new ATOM 0 HG LEU A 56 -3.612 -0.753 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.234 1.342 -0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.254 -0.061 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.783 0.604 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.709 1.095 1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.293 0.354 1.349 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.113 -0.493 2.377 1.00 0.00 H new ATOM 953 N PRO A 57 -7.452 -2.889 -2.421 1.00 0.00 N ATOM 954 CA PRO A 57 -7.816 -4.002 -3.280 1.00 0.00 C ATOM 955 C PRO A 57 -6.752 -5.096 -3.245 1.00 0.00 C ATOM 956 O PRO A 57 -5.563 -4.829 -2.935 1.00 0.00 O ATOM 957 CB PRO A 57 -7.885 -3.387 -4.687 1.00 0.00 C ATOM 958 CG PRO A 57 -8.030 -1.927 -4.460 1.00 0.00 C ATOM 959 CD PRO A 57 -7.293 -1.637 -3.187 1.00 0.00 C ATOM 0 HA PRO A 57 -8.751 -4.468 -2.968 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.985 -3.610 -5.260 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.729 -3.785 -5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.613 -1.359 -5.291 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -9.080 -1.646 -4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.244 -1.407 -3.371 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.719 -0.784 -2.659 1.00 0.00 H new ATOM 967 N ILE A 58 -7.157 -6.310 -3.580 1.00 0.00 N ATOM 968 CA ILE A 58 -6.260 -7.461 -3.601 1.00 0.00 C ATOM 969 C ILE A 58 -5.047 -7.247 -4.500 1.00 0.00 C ATOM 970 O ILE A 58 -3.980 -7.783 -4.241 1.00 0.00 O ATOM 971 CB ILE A 58 -6.994 -8.818 -3.895 1.00 0.00 C ATOM 972 CG1 ILE A 58 -7.947 -8.763 -5.128 1.00 0.00 C ATOM 973 CG2 ILE A 58 -7.749 -9.285 -2.665 1.00 0.00 C ATOM 974 CD1 ILE A 58 -7.270 -8.699 -6.485 1.00 0.00 C ATOM 0 H ILE A 58 -8.117 -6.529 -3.846 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.878 -7.548 -2.584 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.214 -9.537 -4.147 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.590 -9.643 -5.105 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.594 -7.892 -5.025 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.253 -10.227 -2.883 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.049 -9.430 -1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.488 -8.534 -2.385 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.027 -8.664 -7.268 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.650 -7.804 -6.540 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.646 -9.582 -6.622 1.00 0.00 H new ATOM 986 N GLU A 59 -5.223 -6.403 -5.510 1.00 0.00 N ATOM 987 CA GLU A 59 -4.170 -6.034 -6.440 1.00 0.00 C ATOM 988 C GLU A 59 -2.998 -5.404 -5.686 1.00 0.00 C ATOM 989 O GLU A 59 -1.844 -5.834 -5.824 1.00 0.00 O ATOM 990 CB GLU A 59 -4.708 -5.011 -7.431 1.00 0.00 C ATOM 991 CG GLU A 59 -5.888 -5.475 -8.257 1.00 0.00 C ATOM 992 CD GLU A 59 -6.399 -4.377 -9.152 1.00 0.00 C ATOM 993 OE1 GLU A 59 -5.823 -4.158 -10.229 1.00 0.00 O ATOM 994 OE2 GLU A 59 -7.369 -3.692 -8.775 1.00 0.00 O ATOM 0 H GLU A 59 -6.116 -5.951 -5.706 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.833 -6.930 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.998 -4.115 -6.882 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.902 -4.724 -8.106 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.595 -6.333 -8.862 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.688 -5.809 -7.596 1.00 0.00 H new ATOM 1001 N VAL A 60 -3.324 -4.434 -4.848 1.00 0.00 N ATOM 1002 CA VAL A 60 -2.341 -3.657 -4.109 1.00 0.00 C ATOM 1003 C VAL A 60 -1.725 -4.498 -3.007 1.00 0.00 C ATOM 1004 O VAL A 60 -0.514 -4.494 -2.810 1.00 0.00 O ATOM 1005 CB VAL A 60 -2.978 -2.386 -3.493 1.00 0.00 C ATOM 1006 CG1 VAL A 60 -1.925 -1.523 -2.803 1.00 0.00 C ATOM 1007 CG2 VAL A 60 -3.721 -1.590 -4.555 1.00 0.00 C ATOM 0 H VAL A 60 -4.288 -4.160 -4.659 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.565 -3.351 -4.811 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.697 -2.701 -2.737 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -2.400 -0.638 -2.380 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.450 -2.096 -2.006 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.172 -1.218 -3.529 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.161 -0.701 -4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.025 -1.291 -5.339 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.510 -2.206 -4.986 1.00 0.00 H new ATOM 1017 N LYS A 61 -2.562 -5.257 -2.325 1.00 0.00 N ATOM 1018 CA LYS A 61 -2.096 -6.129 -1.244 1.00 0.00 C ATOM 1019 C LYS A 61 -1.140 -7.190 -1.773 1.00 0.00 C ATOM 1020 O LYS A 61 -0.186 -7.589 -1.103 1.00 0.00 O ATOM 1021 CB LYS A 61 -3.273 -6.738 -0.492 1.00 0.00 C ATOM 1022 CG LYS A 61 -4.104 -5.679 0.205 1.00 0.00 C ATOM 1023 CD LYS A 61 -5.205 -6.264 1.083 1.00 0.00 C ATOM 1024 CE LYS A 61 -6.291 -6.951 0.277 1.00 0.00 C ATOM 1025 NZ LYS A 61 -7.350 -7.496 1.149 1.00 0.00 N ATOM 0 H LYS A 61 -3.567 -5.293 -2.494 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.537 -5.524 -0.530 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -3.901 -7.293 -1.188 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -2.904 -7.453 0.243 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.450 -5.058 0.818 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.553 -5.027 -0.544 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.767 -6.979 1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -5.650 -5.468 1.680 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -6.727 -6.242 -0.427 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.853 -7.757 -0.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -8.076 -7.959 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.937 -8.191 1.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -7.784 -6.723 1.693 1.00 0.00 H new ATOM 1039 N ASP A 62 -1.382 -7.600 -2.992 1.00 0.00 N ATOM 1040 CA ASP A 62 -0.511 -8.531 -3.696 1.00 0.00 C ATOM 1041 C ASP A 62 0.844 -7.886 -3.979 1.00 0.00 C ATOM 1042 O ASP A 62 1.879 -8.516 -3.823 1.00 0.00 O ATOM 1043 CB ASP A 62 -1.163 -9.010 -4.996 1.00 0.00 C ATOM 1044 CG ASP A 62 -0.223 -9.778 -5.894 1.00 0.00 C ATOM 1045 OD1 ASP A 62 0.143 -10.904 -5.577 1.00 0.00 O ATOM 1046 OD2 ASP A 62 0.127 -9.257 -6.971 1.00 0.00 O ATOM 0 H ASP A 62 -2.192 -7.300 -3.535 1.00 0.00 H new ATOM 0 HA ASP A 62 -0.353 -9.400 -3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -2.018 -9.641 -4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -1.548 -8.147 -5.539 1.00 0.00 H new ATOM 1051 N LYS A 63 0.829 -6.603 -4.343 1.00 0.00 N ATOM 1052 CA LYS A 63 2.063 -5.851 -4.622 1.00 0.00 C ATOM 1053 C LYS A 63 2.910 -5.795 -3.359 1.00 0.00 C ATOM 1054 O LYS A 63 4.112 -6.078 -3.382 1.00 0.00 O ATOM 1055 CB LYS A 63 1.739 -4.416 -5.065 1.00 0.00 C ATOM 1056 CG LYS A 63 0.759 -4.249 -6.241 1.00 0.00 C ATOM 1057 CD LYS A 63 1.306 -4.697 -7.604 1.00 0.00 C ATOM 1058 CE LYS A 63 1.277 -6.218 -7.818 1.00 0.00 C ATOM 1059 NZ LYS A 63 -0.102 -6.758 -7.836 1.00 0.00 N ATOM 0 H LYS A 63 -0.026 -6.057 -4.453 1.00 0.00 H new ATOM 0 HA LYS A 63 2.603 -6.355 -5.423 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.332 -3.881 -4.207 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.675 -3.925 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.146 -4.816 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.470 -3.200 -6.308 1.00 0.00 H new ATOM 0 HD2 LYS A 63 0.725 -4.218 -8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.333 -4.345 -7.706 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.771 -6.460 -8.759 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.845 -6.705 -7.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.068 -7.797 -7.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -0.617 -6.423 -6.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.591 -6.433 -8.695 1.00 0.00 H new ATOM 1073 N LEU A 64 2.246 -5.473 -2.254 1.00 0.00 N ATOM 1074 CA LEU A 64 2.876 -5.383 -0.949 1.00 0.00 C ATOM 1075 C LEU A 64 3.488 -6.731 -0.568 1.00 0.00 C ATOM 1076 O LEU A 64 4.625 -6.807 -0.069 1.00 0.00 O ATOM 1077 CB LEU A 64 1.841 -4.959 0.104 1.00 0.00 C ATOM 1078 CG LEU A 64 1.093 -3.640 -0.165 1.00 0.00 C ATOM 1079 CD1 LEU A 64 0.099 -3.349 0.946 1.00 0.00 C ATOM 1080 CD2 LEU A 64 2.061 -2.475 -0.330 1.00 0.00 C ATOM 0 H LEU A 64 1.247 -5.266 -2.243 1.00 0.00 H new ATOM 0 HA LEU A 64 3.668 -4.635 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 64 1.104 -5.757 0.200 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.347 -4.875 1.066 1.00 0.00 H new ATOM 0 HG LEU A 64 0.546 -3.757 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.418 -2.413 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.628 -4.159 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.628 -3.266 1.895 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.500 -1.560 -0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.649 -2.359 0.580 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.727 -2.672 -1.170 1.00 0.00 H new ATOM 1092 N THR A 65 2.743 -7.783 -0.831 1.00 0.00 N ATOM 1093 CA THR A 65 3.182 -9.134 -0.583 1.00 0.00 C ATOM 1094 C THR A 65 4.425 -9.476 -1.402 1.00 0.00 C ATOM 1095 O THR A 65 5.440 -9.872 -0.837 1.00 0.00 O ATOM 1096 CB THR A 65 2.033 -10.138 -0.843 1.00 0.00 C ATOM 1097 OG1 THR A 65 0.920 -9.803 0.013 1.00 0.00 O ATOM 1098 CG2 THR A 65 2.467 -11.569 -0.562 1.00 0.00 C ATOM 0 H THR A 65 1.805 -7.721 -1.227 1.00 0.00 H new ATOM 0 HA THR A 65 3.461 -9.211 0.468 1.00 0.00 H new ATOM 0 HB THR A 65 1.748 -10.072 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.530 -8.952 -0.276 1.00 0.00 H new ATOM 0 HG21 THR A 65 1.635 -12.246 -0.755 1.00 0.00 H new ATOM 0 HG22 THR A 65 3.304 -11.829 -1.209 1.00 0.00 H new ATOM 0 HG23 THR A 65 2.773 -11.658 0.480 1.00 0.00 H new ATOM 1106 N ARG A 66 4.365 -9.232 -2.697 1.00 0.00 N ATOM 1107 CA ARG A 66 5.451 -9.566 -3.610 1.00 0.00 C ATOM 1108 C ARG A 66 6.766 -8.873 -3.263 1.00 0.00 C ATOM 1109 O ARG A 66 7.847 -9.416 -3.538 1.00 0.00 O ATOM 1110 CB ARG A 66 5.069 -9.270 -5.056 1.00 0.00 C ATOM 1111 CG ARG A 66 3.916 -10.107 -5.572 1.00 0.00 C ATOM 1112 CD ARG A 66 3.612 -9.787 -7.019 1.00 0.00 C ATOM 1113 NE ARG A 66 2.506 -10.596 -7.532 1.00 0.00 N ATOM 1114 CZ ARG A 66 2.647 -11.689 -8.292 1.00 0.00 C ATOM 1115 NH1 ARG A 66 3.857 -12.188 -8.545 1.00 0.00 N ATOM 1116 NH2 ARG A 66 1.580 -12.298 -8.772 1.00 0.00 N ATOM 0 H ARG A 66 3.562 -8.796 -3.150 1.00 0.00 H new ATOM 0 HA ARG A 66 5.615 -10.637 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.807 -8.216 -5.143 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.938 -9.436 -5.692 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.159 -11.165 -5.474 1.00 0.00 H new ATOM 0 HG3 ARG A 66 3.030 -9.926 -4.963 1.00 0.00 H new ATOM 0 HD2 ARG A 66 3.364 -8.730 -7.113 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.501 -9.961 -7.625 1.00 0.00 H new ATOM 0 HE ARG A 66 1.558 -10.306 -7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 66 4.686 -11.737 -8.158 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.954 -13.021 -9.125 1.00 0.00 H new ATOM 0 HH21 ARG A 66 0.649 -11.936 -8.564 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.686 -13.131 -9.351 1.00 0.00 H new ATOM 1130 N PHE A 67 6.694 -7.694 -2.677 1.00 0.00 N ATOM 1131 CA PHE A 67 7.904 -6.985 -2.326 1.00 0.00 C ATOM 1132 C PHE A 67 8.370 -7.338 -0.917 1.00 0.00 C ATOM 1133 O PHE A 67 9.469 -7.862 -0.737 1.00 0.00 O ATOM 1134 CB PHE A 67 7.724 -5.461 -2.469 1.00 0.00 C ATOM 1135 CG PHE A 67 9.006 -4.662 -2.291 1.00 0.00 C ATOM 1136 CD1 PHE A 67 9.946 -4.622 -3.310 1.00 0.00 C ATOM 1137 CD2 PHE A 67 9.269 -3.944 -1.118 1.00 0.00 C ATOM 1138 CE1 PHE A 67 11.116 -3.898 -3.171 1.00 0.00 C ATOM 1139 CE2 PHE A 67 10.439 -3.221 -0.981 1.00 0.00 C ATOM 1140 CZ PHE A 67 11.360 -3.196 -2.009 1.00 0.00 C ATOM 0 H PHE A 67 5.826 -7.215 -2.438 1.00 0.00 H new ATOM 0 HA PHE A 67 8.676 -7.303 -3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 67 7.309 -5.246 -3.454 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.993 -5.122 -1.735 1.00 0.00 H new ATOM 0 HD1 PHE A 67 9.762 -5.164 -4.226 1.00 0.00 H new ATOM 0 HD2 PHE A 67 8.550 -3.955 -0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 67 11.839 -3.882 -3.973 1.00 0.00 H new ATOM 0 HE2 PHE A 67 10.633 -2.675 -0.069 1.00 0.00 H new ATOM 0 HZ PHE A 67 12.272 -2.627 -1.903 1.00 0.00 H new ATOM 1150 N PHE A 68 7.538 -7.094 0.073 1.00 0.00 N ATOM 1151 CA PHE A 68 7.984 -7.265 1.441 1.00 0.00 C ATOM 1152 C PHE A 68 7.184 -8.289 2.243 1.00 0.00 C ATOM 1153 O PHE A 68 7.765 -9.071 3.000 1.00 0.00 O ATOM 1154 CB PHE A 68 8.025 -5.904 2.193 1.00 0.00 C ATOM 1155 CG PHE A 68 6.688 -5.212 2.329 1.00 0.00 C ATOM 1156 CD1 PHE A 68 6.231 -4.353 1.345 1.00 0.00 C ATOM 1157 CD2 PHE A 68 5.891 -5.428 3.443 1.00 0.00 C ATOM 1158 CE1 PHE A 68 5.014 -3.731 1.466 1.00 0.00 C ATOM 1159 CE2 PHE A 68 4.672 -4.809 3.565 1.00 0.00 C ATOM 1160 CZ PHE A 68 4.233 -3.958 2.576 1.00 0.00 C ATOM 0 H PHE A 68 6.572 -6.784 -0.037 1.00 0.00 H new ATOM 0 HA PHE A 68 8.993 -7.669 1.360 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.436 -6.068 3.189 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.711 -5.237 1.671 1.00 0.00 H new ATOM 0 HD1 PHE A 68 6.839 -4.170 0.472 1.00 0.00 H new ATOM 0 HD2 PHE A 68 6.233 -6.091 4.224 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.669 -3.063 0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.058 -4.989 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 68 3.275 -3.468 2.671 1.00 0.00 H new ATOM 1170 N LEU A 69 5.871 -8.338 2.042 1.00 0.00 N ATOM 1171 CA LEU A 69 5.005 -9.075 2.963 1.00 0.00 C ATOM 1172 C LEU A 69 5.013 -10.602 2.730 1.00 0.00 C ATOM 1173 O LEU A 69 4.250 -11.339 3.365 1.00 0.00 O ATOM 1174 CB LEU A 69 3.574 -8.460 3.009 1.00 0.00 C ATOM 1175 CG LEU A 69 2.657 -8.894 4.166 1.00 0.00 C ATOM 1176 CD1 LEU A 69 3.229 -8.445 5.506 1.00 0.00 C ATOM 1177 CD2 LEU A 69 1.254 -8.333 3.971 1.00 0.00 C ATOM 0 H LEU A 69 5.388 -7.886 1.266 1.00 0.00 H new ATOM 0 HA LEU A 69 5.431 -8.955 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.674 -7.375 3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.072 -8.702 2.072 1.00 0.00 H new ATOM 0 HG LEU A 69 2.599 -9.982 4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.565 -8.762 6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.212 -8.892 5.650 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.319 -7.359 5.517 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.618 -8.649 4.798 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.298 -7.244 3.943 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.841 -8.704 3.033 1.00 0.00 H new ATOM 1189 N LEU A 70 5.893 -11.076 1.838 1.00 0.00 N ATOM 1190 CA LEU A 70 6.130 -12.514 1.679 1.00 0.00 C ATOM 1191 C LEU A 70 6.592 -13.069 3.014 1.00 0.00 C ATOM 1192 O LEU A 70 6.081 -14.078 3.509 1.00 0.00 O ATOM 1193 CB LEU A 70 7.219 -12.796 0.624 1.00 0.00 C ATOM 1194 CG LEU A 70 6.888 -12.473 -0.832 1.00 0.00 C ATOM 1195 CD1 LEU A 70 8.110 -12.687 -1.708 1.00 0.00 C ATOM 1196 CD2 LEU A 70 5.735 -13.335 -1.324 1.00 0.00 C ATOM 0 H LEU A 70 6.449 -10.487 1.219 1.00 0.00 H new ATOM 0 HA LEU A 70 5.205 -12.985 1.348 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.110 -12.231 0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.480 -13.853 0.684 1.00 0.00 H new ATOM 0 HG LEU A 70 6.588 -11.427 -0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 70 7.861 -12.453 -2.743 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.917 -12.035 -1.373 1.00 0.00 H new ATOM 0 HD13 LEU A 70 8.431 -13.726 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.515 -13.090 -2.363 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.010 -14.387 -1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.853 -13.147 -0.712 1.00 0.00 H new ATOM 1208 N GLU A 71 7.527 -12.379 3.608 1.00 0.00 N ATOM 1209 CA GLU A 71 8.023 -12.753 4.884 1.00 0.00 C ATOM 1210 C GLU A 71 7.313 -11.910 5.915 1.00 0.00 C ATOM 1211 O GLU A 71 7.477 -10.693 5.975 1.00 0.00 O ATOM 1212 CB GLU A 71 9.533 -12.574 4.964 1.00 0.00 C ATOM 1213 CG GLU A 71 10.144 -13.139 6.237 1.00 0.00 C ATOM 1214 CD GLU A 71 11.641 -13.056 6.242 1.00 0.00 C ATOM 1215 OE1 GLU A 71 12.296 -13.905 5.610 1.00 0.00 O ATOM 1216 OE2 GLU A 71 12.201 -12.152 6.897 1.00 0.00 O ATOM 0 H GLU A 71 7.960 -11.544 3.213 1.00 0.00 H new ATOM 0 HA GLU A 71 7.830 -13.810 5.068 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.994 -13.058 4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.769 -11.512 4.897 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.751 -12.597 7.097 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.841 -14.180 6.351 1.00 0.00 H new ATOM 1223 N HIS A 72 6.492 -12.545 6.673 1.00 0.00 N ATOM 1224 CA HIS A 72 5.689 -11.893 7.661 1.00 0.00 C ATOM 1225 C HIS A 72 5.756 -12.650 8.967 1.00 0.00 C ATOM 1226 O HIS A 72 4.951 -13.538 9.243 1.00 0.00 O ATOM 1227 CB HIS A 72 4.224 -11.660 7.162 1.00 0.00 C ATOM 1228 CG HIS A 72 3.527 -12.874 6.570 1.00 0.00 C ATOM 1229 ND1 HIS A 72 3.507 -13.145 5.223 1.00 0.00 N ATOM 1230 CD2 HIS A 72 2.844 -13.883 7.151 1.00 0.00 C ATOM 1231 CE1 HIS A 72 2.853 -14.259 5.006 1.00 0.00 C ATOM 1232 NE2 HIS A 72 2.440 -14.729 6.160 1.00 0.00 N ATOM 0 H HIS A 72 6.352 -13.554 6.628 1.00 0.00 H new ATOM 0 HA HIS A 72 6.096 -10.898 7.840 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.629 -11.295 7.999 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.237 -10.870 6.411 1.00 0.00 H new ATOM 0 HD1 HIS A 72 3.936 -12.566 4.501 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.652 -13.999 8.207 1.00 0.00 H new ATOM 0 HE1 HIS A 72 2.682 -14.714 4.041 1.00 0.00 H new ATOM 1241 N HIS A 73 6.755 -12.350 9.738 1.00 0.00 N ATOM 1242 CA HIS A 73 6.942 -13.027 10.980 1.00 0.00 C ATOM 1243 C HIS A 73 7.070 -12.025 12.103 1.00 0.00 C ATOM 1244 O HIS A 73 8.074 -11.339 12.212 1.00 0.00 O ATOM 1245 CB HIS A 73 8.160 -13.967 10.928 1.00 0.00 C ATOM 1246 CG HIS A 73 8.330 -14.801 12.167 1.00 0.00 C ATOM 1247 ND1 HIS A 73 7.716 -16.014 12.338 1.00 0.00 N ATOM 1248 CD2 HIS A 73 9.030 -14.580 13.304 1.00 0.00 C ATOM 1249 CE1 HIS A 73 8.024 -16.496 13.517 1.00 0.00 C ATOM 1250 NE2 HIS A 73 8.817 -15.649 14.118 1.00 0.00 N ATOM 0 H HIS A 73 7.454 -11.638 9.527 1.00 0.00 H new ATOM 0 HA HIS A 73 6.066 -13.647 11.169 1.00 0.00 H new ATOM 0 HB2 HIS A 73 8.062 -14.627 10.066 1.00 0.00 H new ATOM 0 HB3 HIS A 73 9.061 -13.373 10.774 1.00 0.00 H new ATOM 0 HD2 HIS A 73 9.642 -13.718 13.524 1.00 0.00 H new ATOM 0 HE1 HIS A 73 7.680 -17.436 13.924 1.00 0.00 H new ATOM 0 HE2 HIS A 73 9.214 -15.770 15.050 1.00 0.00 H new ATOM 1259 N HIS A 74 6.033 -11.963 12.901 1.00 0.00 N ATOM 1260 CA HIS A 74 5.910 -11.107 14.091 1.00 0.00 C ATOM 1261 C HIS A 74 4.469 -11.184 14.529 1.00 0.00 C ATOM 1262 O HIS A 74 4.146 -11.075 15.702 1.00 0.00 O ATOM 1263 CB HIS A 74 6.283 -9.617 13.828 1.00 0.00 C ATOM 1264 CG HIS A 74 6.326 -8.778 15.087 1.00 0.00 C ATOM 1265 ND1 HIS A 74 5.305 -7.950 15.480 1.00 0.00 N ATOM 1266 CD2 HIS A 74 7.273 -8.676 16.051 1.00 0.00 C ATOM 1267 CE1 HIS A 74 5.616 -7.382 16.626 1.00 0.00 C ATOM 1268 NE2 HIS A 74 6.803 -7.805 16.998 1.00 0.00 N ATOM 0 H HIS A 74 5.201 -12.531 12.744 1.00 0.00 H new ATOM 0 HA HIS A 74 6.608 -11.463 14.849 1.00 0.00 H new ATOM 0 HB2 HIS A 74 7.256 -9.575 13.338 1.00 0.00 H new ATOM 0 HB3 HIS A 74 5.559 -9.185 13.137 1.00 0.00 H new ATOM 0 HD2 HIS A 74 8.224 -9.188 16.069 1.00 0.00 H new ATOM 0 HE1 HIS A 74 4.998 -6.684 17.170 1.00 0.00 H new ATOM 0 HE2 HIS A 74 7.293 -7.531 17.850 1.00 0.00 H new ATOM 1277 N HIS A 75 3.617 -11.378 13.561 1.00 0.00 N ATOM 1278 CA HIS A 75 2.207 -11.501 13.764 1.00 0.00 C ATOM 1279 C HIS A 75 1.706 -12.274 12.567 1.00 0.00 C ATOM 1280 O HIS A 75 2.109 -11.962 11.437 1.00 0.00 O ATOM 1281 CB HIS A 75 1.580 -10.091 13.813 1.00 0.00 C ATOM 1282 CG HIS A 75 0.147 -10.032 14.256 1.00 0.00 C ATOM 1283 ND1 HIS A 75 -0.873 -9.544 13.472 1.00 0.00 N ATOM 1284 CD2 HIS A 75 -0.418 -10.342 15.443 1.00 0.00 C ATOM 1285 CE1 HIS A 75 -1.996 -9.559 14.160 1.00 0.00 C ATOM 1286 NE2 HIS A 75 -1.747 -10.039 15.353 1.00 0.00 N ATOM 0 H HIS A 75 3.896 -11.457 12.583 1.00 0.00 H new ATOM 0 HA HIS A 75 1.951 -12.004 14.696 1.00 0.00 H new ATOM 0 HB2 HIS A 75 2.175 -9.472 14.485 1.00 0.00 H new ATOM 0 HB3 HIS A 75 1.653 -9.646 12.821 1.00 0.00 H new ATOM 0 HD2 HIS A 75 0.088 -10.753 16.304 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.960 -9.231 13.801 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.435 -10.166 16.095 1.00 0.00 H new ATOM 1295 N HIS A 76 0.911 -13.296 12.787 1.00 0.00 N ATOM 1296 CA HIS A 76 0.410 -14.088 11.685 1.00 0.00 C ATOM 1297 C HIS A 76 -0.623 -13.294 10.918 1.00 0.00 C ATOM 1298 O HIS A 76 -1.757 -13.138 11.363 1.00 0.00 O ATOM 1299 CB HIS A 76 -0.164 -15.443 12.159 1.00 0.00 C ATOM 1300 CG HIS A 76 -0.648 -16.337 11.036 1.00 0.00 C ATOM 1301 ND1 HIS A 76 0.185 -17.160 10.321 1.00 0.00 N ATOM 1302 CD2 HIS A 76 -1.884 -16.523 10.516 1.00 0.00 C ATOM 1303 CE1 HIS A 76 -0.509 -17.814 9.416 1.00 0.00 C ATOM 1304 NE2 HIS A 76 -1.765 -17.448 9.512 1.00 0.00 N ATOM 0 H HIS A 76 0.599 -13.597 13.710 1.00 0.00 H new ATOM 0 HA HIS A 76 1.245 -14.319 11.024 1.00 0.00 H new ATOM 0 HB2 HIS A 76 0.603 -15.972 12.725 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -0.992 -15.255 12.842 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.793 -16.034 10.833 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.112 -18.531 8.713 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.529 -17.796 8.933 1.00 0.00 H new ATOM 1313 N HIS A 77 -0.207 -12.761 9.806 1.00 0.00 N ATOM 1314 CA HIS A 77 -1.077 -11.976 8.984 1.00 0.00 C ATOM 1315 C HIS A 77 -1.889 -12.888 8.102 1.00 0.00 C ATOM 1316 O HIS A 77 -3.064 -13.128 8.399 1.00 0.00 O ATOM 1317 CB HIS A 77 -0.290 -10.952 8.150 1.00 0.00 C ATOM 1318 CG HIS A 77 -1.173 -10.030 7.360 1.00 0.00 C ATOM 1319 ND1 HIS A 77 -1.813 -8.959 7.919 1.00 0.00 N ATOM 1320 CD2 HIS A 77 -1.548 -10.050 6.059 1.00 0.00 C ATOM 1321 CE1 HIS A 77 -2.547 -8.363 7.012 1.00 0.00 C ATOM 1322 NE2 HIS A 77 -2.404 -9.003 5.872 1.00 0.00 N ATOM 1323 OXT HIS A 77 -1.337 -13.408 7.119 1.00 0.00 O ATOM 0 H HIS A 77 0.742 -12.859 9.445 1.00 0.00 H new ATOM 0 HA HIS A 77 -1.751 -11.410 9.627 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.341 -10.361 8.813 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.374 -11.482 7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.230 -10.760 5.310 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.166 -7.492 7.173 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -2.858 -8.757 4.992 1.00 0.00 H new TER 1332 HIS A 77