USER MOD reduce.3.24.130724 H: found=0, std=0, add=860, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 859 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 36 SER OG : rot -50:sc= 0.889 USER MOD Set 1.2: A 87 CYS SG : rot -110:sc= 0.742 USER MOD Set 2.1: A 69 SER OG : rot 165:sc= 1.24 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.619 K(o=1.9,f=-0.39!) USER MOD Set 3.1: A 19 LYS NZ :NH3+ 167:sc= 1.83 (180deg=0.628) USER MOD Set 3.2: A 109 SER OG : rot 3:sc= 1.86 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.885 (180deg=0.647) USER MOD Single : A 4 THR OG1 : rot 180:sc=-0.00941 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0.0344 USER MOD Single : A 10 THR OG1 : rot 68:sc= 1.23 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -76:sc= 1.28 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00816 X(o=-0.0082,f=-0.0082) USER MOD Single : A 24 MET CE :methyl 140:sc= -0.126 (180deg=-0.27) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 28 LYS NZ :NH3+ -174:sc= 1.2 (180deg=1.17) USER MOD Single : A 32 GLN : amide:sc= 0.706 K(o=0.71,f=-6!) USER MOD Single : A 33 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.285 K(o=0.28,f=-3.9!) USER MOD Single : A 38 THR OG1 : rot 75:sc= 1.18 USER MOD Single : A 41 GLN : amide:sc= -0.0646 X(o=-0.065,f=-0.098) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 91:sc= 1.3 USER MOD Single : A 47 ASN : amide:sc= -0.156 X(o=-0.16,f=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0.725 K(o=0.72,f=-0.062) USER MOD Single : A 58 ASN : amide:sc= 0.033 K(o=0.033,f=-5.4!) USER MOD Single : A 63 GLN : amide:sc= 1.05 K(o=1,f=-0.22) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 41:sc= 0.494 USER MOD Single : A 78 TYR OH : rot -104:sc= 0.132 USER MOD Single : A 90 THR OG1 : rot 71:sc= 0.776 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 166:sc= 0.868 (180deg=0.641) USER MOD Single : A 96 SER OG : rot 69:sc= 1.28 USER MOD Single : A 100 GLN : amide:sc= 1.64 K(o=1.6,f=-8.1!) USER MOD Single : A 102 GLN : amide:sc= -0.0519 X(o=-0.052,f=-0.09) USER MOD Single : A 105 LYS NZ :NH3+ -174:sc= 1.01 (180deg=0.984) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 CYS SG : rot 77:sc= 0.495 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.486 0.009 -3.685 1.00 0.00 N ATOM 2 CA MET A 1 3.094 0.440 -3.367 1.00 0.00 C ATOM 3 C MET A 1 2.230 0.453 -4.635 1.00 0.00 C ATOM 4 O MET A 1 2.718 0.800 -5.708 1.00 0.00 O ATOM 5 CB MET A 1 3.097 1.823 -2.667 1.00 0.00 C ATOM 6 CG MET A 1 1.729 2.298 -2.152 1.00 0.00 C ATOM 7 SD MET A 1 1.807 3.883 -1.267 1.00 0.00 S ATOM 8 CE MET A 1 0.063 4.080 -0.813 1.00 0.00 C ATOM 0 H1 MET A 1 4.993 -0.206 -2.803 1.00 0.00 H new ATOM 0 H2 MET A 1 4.458 -0.840 -4.284 1.00 0.00 H new ATOM 0 H3 MET A 1 4.979 0.773 -4.190 1.00 0.00 H new ATOM 0 HA MET A 1 2.656 -0.280 -2.675 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.791 1.786 -1.827 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.482 2.565 -3.366 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.044 2.393 -2.995 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.314 1.539 -1.489 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.066 5.010 -0.259 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.547 4.107 -1.716 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.248 3.241 -0.190 1.00 0.00 H new ATOM 20 N ALA A 2 0.939 0.117 -4.529 1.00 0.00 N ATOM 21 CA ALA A 2 -0.045 0.211 -5.623 1.00 0.00 C ATOM 22 C ALA A 2 -0.509 1.672 -5.827 1.00 0.00 C ATOM 23 O ALA A 2 -1.663 2.026 -5.581 1.00 0.00 O ATOM 24 CB ALA A 2 -1.192 -0.768 -5.324 1.00 0.00 C ATOM 0 H ALA A 2 0.536 -0.237 -3.661 1.00 0.00 H new ATOM 0 HA ALA A 2 0.403 -0.078 -6.574 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.933 -0.715 -6.122 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -0.798 -1.782 -5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.660 -0.502 -4.376 1.00 0.00 H new ATOM 30 N LEU A 3 0.417 2.545 -6.241 1.00 0.00 N ATOM 31 CA LEU A 3 0.253 4.005 -6.292 1.00 0.00 C ATOM 32 C LEU A 3 -0.463 4.483 -7.576 1.00 0.00 C ATOM 33 O LEU A 3 -0.003 5.394 -8.270 1.00 0.00 O ATOM 34 CB LEU A 3 1.644 4.638 -6.035 1.00 0.00 C ATOM 35 CG LEU A 3 1.643 6.128 -5.631 1.00 0.00 C ATOM 36 CD1 LEU A 3 0.818 6.373 -4.355 1.00 0.00 C ATOM 37 CD2 LEU A 3 3.088 6.597 -5.419 1.00 0.00 C ATOM 0 H LEU A 3 1.337 2.244 -6.562 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.425 4.347 -5.510 1.00 0.00 H new ATOM 0 HB2 LEU A 3 2.141 4.069 -5.249 1.00 0.00 H new ATOM 0 HB3 LEU A 3 2.245 4.527 -6.938 1.00 0.00 H new ATOM 0 HG LEU A 3 1.179 6.698 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 3 0.842 7.433 -4.104 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.213 6.064 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.240 5.796 -3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.091 7.649 -5.134 1.00 0.00 H new ATOM 0 HD22 LEU A 3 3.550 6.005 -4.629 1.00 0.00 H new ATOM 0 HD23 LEU A 3 3.651 6.470 -6.344 1.00 0.00 H new ATOM 49 N THR A 4 -1.598 3.848 -7.896 1.00 0.00 N ATOM 50 CA THR A 4 -2.512 4.208 -8.994 1.00 0.00 C ATOM 51 C THR A 4 -3.436 5.416 -8.726 1.00 0.00 C ATOM 52 O THR A 4 -3.871 5.990 -9.732 1.00 0.00 O ATOM 53 CB THR A 4 -3.349 2.996 -9.428 1.00 0.00 C ATOM 54 OG1 THR A 4 -4.059 2.489 -8.321 1.00 0.00 O ATOM 55 CG2 THR A 4 -2.478 1.874 -9.998 1.00 0.00 C ATOM 0 H THR A 4 -1.921 3.033 -7.375 1.00 0.00 H new ATOM 0 HA THR A 4 -1.850 4.526 -9.799 1.00 0.00 H new ATOM 0 HB THR A 4 -4.032 3.336 -10.206 1.00 0.00 H new ATOM 0 HG1 THR A 4 -4.594 1.717 -8.601 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.110 1.036 -10.292 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.934 2.242 -10.868 1.00 0.00 H new ATOM 0 HG23 THR A 4 -1.768 1.544 -9.240 1.00 0.00 H new ATOM 63 N PRO A 5 -3.755 5.844 -7.475 1.00 0.00 N ATOM 64 CA PRO A 5 -4.534 7.061 -7.218 1.00 0.00 C ATOM 65 C PRO A 5 -3.892 8.349 -7.753 1.00 0.00 C ATOM 66 O PRO A 5 -2.713 8.387 -8.110 1.00 0.00 O ATOM 67 CB PRO A 5 -4.723 7.135 -5.698 1.00 0.00 C ATOM 68 CG PRO A 5 -4.651 5.675 -5.269 1.00 0.00 C ATOM 69 CD PRO A 5 -3.585 5.129 -6.212 1.00 0.00 C ATOM 0 HA PRO A 5 -5.481 6.995 -7.754 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -3.945 7.733 -5.224 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -5.679 7.587 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -4.365 5.569 -4.223 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -5.606 5.165 -5.391 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -2.586 5.289 -5.805 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.703 4.055 -6.354 1.00 0.00 H new ATOM 77 N ALA A 6 -4.678 9.435 -7.748 1.00 0.00 N ATOM 78 CA ALA A 6 -4.306 10.755 -8.277 1.00 0.00 C ATOM 79 C ALA A 6 -3.140 11.455 -7.543 1.00 0.00 C ATOM 80 O ALA A 6 -2.663 12.490 -8.016 1.00 0.00 O ATOM 81 CB ALA A 6 -5.571 11.629 -8.282 1.00 0.00 C ATOM 0 H ALA A 6 -5.622 9.418 -7.363 1.00 0.00 H new ATOM 0 HA ALA A 6 -3.917 10.606 -9.284 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.328 12.618 -8.670 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.330 11.167 -8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -5.953 11.722 -7.265 1.00 0.00 H new ATOM 87 N LEU A 7 -2.651 10.900 -6.426 1.00 0.00 N ATOM 88 CA LEU A 7 -1.438 11.331 -5.717 1.00 0.00 C ATOM 89 C LEU A 7 -0.263 11.461 -6.689 1.00 0.00 C ATOM 90 O LEU A 7 0.308 12.539 -6.828 1.00 0.00 O ATOM 91 CB LEU A 7 -1.174 10.311 -4.578 1.00 0.00 C ATOM 92 CG LEU A 7 0.038 10.537 -3.639 1.00 0.00 C ATOM 93 CD1 LEU A 7 1.399 10.307 -4.311 1.00 0.00 C ATOM 94 CD2 LEU A 7 0.009 11.916 -2.964 1.00 0.00 C ATOM 0 H LEU A 7 -3.107 10.108 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.567 12.321 -5.279 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -2.069 10.270 -3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -1.058 9.328 -5.035 1.00 0.00 H new ATOM 0 HG LEU A 7 -0.071 9.771 -2.871 1.00 0.00 H new ATOM 0 HD11 LEU A 7 2.196 10.485 -3.589 1.00 0.00 H new ATOM 0 HD12 LEU A 7 1.458 9.280 -4.671 1.00 0.00 H new ATOM 0 HD13 LEU A 7 1.511 10.993 -5.151 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.880 12.023 -2.317 1.00 0.00 H new ATOM 0 HD22 LEU A 7 0.025 12.695 -3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.899 12.011 -2.368 1.00 0.00 H new ATOM 106 N LYS A 8 0.074 10.385 -7.408 1.00 0.00 N ATOM 107 CA LYS A 8 1.247 10.339 -8.297 1.00 0.00 C ATOM 108 C LYS A 8 1.170 11.413 -9.403 1.00 0.00 C ATOM 109 O LYS A 8 2.138 12.142 -9.643 1.00 0.00 O ATOM 110 CB LYS A 8 1.347 8.913 -8.873 1.00 0.00 C ATOM 111 CG LYS A 8 2.759 8.594 -9.380 1.00 0.00 C ATOM 112 CD LYS A 8 2.826 7.180 -9.975 1.00 0.00 C ATOM 113 CE LYS A 8 4.249 6.884 -10.471 1.00 0.00 C ATOM 114 NZ LYS A 8 4.344 5.537 -11.104 1.00 0.00 N ATOM 0 H LYS A 8 -0.460 9.516 -7.392 1.00 0.00 H new ATOM 0 HA LYS A 8 2.152 10.568 -7.734 1.00 0.00 H new ATOM 0 HB2 LYS A 8 1.066 8.192 -8.105 1.00 0.00 H new ATOM 0 HB3 LYS A 8 0.635 8.802 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 8 3.051 9.324 -10.135 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.472 8.681 -8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 8 2.534 6.446 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 8 2.119 7.090 -10.800 1.00 0.00 H new ATOM 0 HE2 LYS A 8 4.549 7.646 -11.190 1.00 0.00 H new ATOM 0 HE3 LYS A 8 4.945 6.943 -9.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 5.319 5.373 -11.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 4.081 4.808 -10.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 3.698 5.489 -11.918 1.00 0.00 H new ATOM 128 N THR A 9 -0.021 11.566 -9.999 1.00 0.00 N ATOM 129 CA THR A 9 -0.391 12.587 -10.987 1.00 0.00 C ATOM 130 C THR A 9 -0.266 14.003 -10.427 1.00 0.00 C ATOM 131 O THR A 9 0.232 14.882 -11.124 1.00 0.00 O ATOM 132 CB THR A 9 -1.820 12.321 -11.467 1.00 0.00 C ATOM 133 OG1 THR A 9 -2.035 10.932 -11.620 1.00 0.00 O ATOM 134 CG2 THR A 9 -2.062 12.975 -12.818 1.00 0.00 C ATOM 0 H THR A 9 -0.799 10.941 -9.790 1.00 0.00 H new ATOM 0 HA THR A 9 0.302 12.520 -11.826 1.00 0.00 H new ATOM 0 HB THR A 9 -2.499 12.734 -10.721 1.00 0.00 H new ATOM 0 HG1 THR A 9 -2.953 10.775 -11.926 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.083 12.774 -13.142 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.913 14.051 -12.733 1.00 0.00 H new ATOM 0 HG23 THR A 9 -1.363 12.569 -13.549 1.00 0.00 H new ATOM 142 N THR A 10 -0.679 14.224 -9.170 1.00 0.00 N ATOM 143 CA THR A 10 -0.601 15.523 -8.480 1.00 0.00 C ATOM 144 C THR A 10 0.849 15.913 -8.215 1.00 0.00 C ATOM 145 O THR A 10 1.222 17.046 -8.522 1.00 0.00 O ATOM 146 CB THR A 10 -1.413 15.498 -7.175 1.00 0.00 C ATOM 147 OG1 THR A 10 -2.749 15.163 -7.474 1.00 0.00 O ATOM 148 CG2 THR A 10 -1.430 16.862 -6.482 1.00 0.00 C ATOM 0 H THR A 10 -1.086 13.489 -8.591 1.00 0.00 H new ATOM 0 HA THR A 10 -1.036 16.280 -9.133 1.00 0.00 H new ATOM 0 HB THR A 10 -0.944 14.769 -6.514 1.00 0.00 H new ATOM 0 HG1 THR A 10 -2.793 14.232 -7.777 1.00 0.00 H new ATOM 0 HG21 THR A 10 -2.015 16.797 -5.565 1.00 0.00 H new ATOM 0 HG22 THR A 10 -0.410 17.160 -6.241 1.00 0.00 H new ATOM 0 HG23 THR A 10 -1.877 17.602 -7.146 1.00 0.00 H new ATOM 156 N LEU A 11 1.669 14.988 -7.703 1.00 0.00 N ATOM 157 CA LEU A 11 3.102 15.215 -7.475 1.00 0.00 C ATOM 158 C LEU A 11 3.801 15.626 -8.774 1.00 0.00 C ATOM 159 O LEU A 11 4.383 16.709 -8.833 1.00 0.00 O ATOM 160 CB LEU A 11 3.759 13.979 -6.832 1.00 0.00 C ATOM 161 CG LEU A 11 3.264 13.625 -5.414 1.00 0.00 C ATOM 162 CD1 LEU A 11 4.086 12.450 -4.868 1.00 0.00 C ATOM 163 CD2 LEU A 11 3.361 14.799 -4.437 1.00 0.00 C ATOM 0 H LEU A 11 1.356 14.055 -7.433 1.00 0.00 H new ATOM 0 HA LEU A 11 3.213 16.041 -6.772 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.590 13.120 -7.482 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.836 14.141 -6.792 1.00 0.00 H new ATOM 0 HG LEU A 11 2.210 13.361 -5.500 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.739 12.197 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.966 11.587 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.139 12.730 -4.827 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.998 14.488 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.400 15.119 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.754 15.627 -4.802 1.00 0.00 H new ATOM 175 N ASP A 12 3.656 14.834 -9.839 1.00 0.00 N ATOM 176 CA ASP A 12 4.199 15.158 -11.162 1.00 0.00 C ATOM 177 C ASP A 12 3.700 16.522 -11.672 1.00 0.00 C ATOM 178 O ASP A 12 4.507 17.338 -12.123 1.00 0.00 O ATOM 179 CB ASP A 12 3.841 14.029 -12.138 1.00 0.00 C ATOM 180 CG ASP A 12 4.459 14.272 -13.523 1.00 0.00 C ATOM 181 OD1 ASP A 12 5.685 14.056 -13.675 1.00 0.00 O ATOM 182 OD2 ASP A 12 3.718 14.668 -14.454 1.00 0.00 O ATOM 0 H ASP A 12 3.156 13.945 -9.809 1.00 0.00 H new ATOM 0 HA ASP A 12 5.283 15.240 -11.086 1.00 0.00 H new ATOM 0 HB2 ASP A 12 4.194 13.077 -11.742 1.00 0.00 H new ATOM 0 HB3 ASP A 12 2.757 13.954 -12.229 1.00 0.00 H new ATOM 187 N LYS A 13 2.403 16.821 -11.521 1.00 0.00 N ATOM 188 CA LYS A 13 1.832 18.119 -11.884 1.00 0.00 C ATOM 189 C LYS A 13 2.480 19.266 -11.097 1.00 0.00 C ATOM 190 O LYS A 13 2.981 20.198 -11.722 1.00 0.00 O ATOM 191 CB LYS A 13 0.299 18.072 -11.731 1.00 0.00 C ATOM 192 CG LYS A 13 -0.367 19.372 -12.214 1.00 0.00 C ATOM 193 CD LYS A 13 -1.899 19.281 -12.272 1.00 0.00 C ATOM 194 CE LYS A 13 -2.536 19.075 -10.885 1.00 0.00 C ATOM 195 NZ LYS A 13 -4.024 19.047 -10.965 1.00 0.00 N ATOM 0 H LYS A 13 1.720 16.165 -11.142 1.00 0.00 H new ATOM 0 HA LYS A 13 2.054 18.326 -12.931 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.097 17.229 -12.298 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.044 17.900 -10.685 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -0.083 20.187 -11.549 1.00 0.00 H new ATOM 0 HG3 LYS A 13 0.014 19.621 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.296 20.193 -12.718 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.185 18.456 -12.925 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.176 18.141 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.222 19.877 -10.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -4.420 18.907 -10.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -4.368 19.948 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -4.324 18.266 -11.583 1.00 0.00 H new ATOM 209 N VAL A 14 2.574 19.204 -9.761 1.00 0.00 N ATOM 210 CA VAL A 14 3.195 20.284 -8.991 1.00 0.00 C ATOM 211 C VAL A 14 4.705 20.386 -9.248 1.00 0.00 C ATOM 212 O VAL A 14 5.210 21.498 -9.376 1.00 0.00 O ATOM 213 CB VAL A 14 2.865 20.235 -7.486 1.00 0.00 C ATOM 214 CG1 VAL A 14 1.354 20.374 -7.237 1.00 0.00 C ATOM 215 CG2 VAL A 14 3.424 19.032 -6.720 1.00 0.00 C ATOM 0 H VAL A 14 2.231 18.425 -9.199 1.00 0.00 H new ATOM 0 HA VAL A 14 2.743 21.204 -9.362 1.00 0.00 H new ATOM 0 HB VAL A 14 3.390 21.098 -7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 14 1.157 20.335 -6.166 1.00 0.00 H new ATOM 0 HG12 VAL A 14 1.006 21.327 -7.636 1.00 0.00 H new ATOM 0 HG13 VAL A 14 0.827 19.559 -7.733 1.00 0.00 H new ATOM 0 HG21 VAL A 14 3.131 19.100 -5.672 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.028 18.112 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 14 4.512 19.027 -6.793 1.00 0.00 H new ATOM 225 N VAL A 15 5.408 19.259 -9.413 1.00 0.00 N ATOM 226 CA VAL A 15 6.852 19.222 -9.703 1.00 0.00 C ATOM 227 C VAL A 15 7.201 19.864 -11.057 1.00 0.00 C ATOM 228 O VAL A 15 8.229 20.536 -11.159 1.00 0.00 O ATOM 229 CB VAL A 15 7.383 17.778 -9.605 1.00 0.00 C ATOM 230 CG1 VAL A 15 8.751 17.548 -10.269 1.00 0.00 C ATOM 231 CG2 VAL A 15 7.472 17.363 -8.122 1.00 0.00 C ATOM 0 H VAL A 15 4.986 18.332 -9.348 1.00 0.00 H new ATOM 0 HA VAL A 15 7.352 19.826 -8.946 1.00 0.00 H new ATOM 0 HB VAL A 15 6.670 17.165 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 15 9.043 16.505 -10.149 1.00 0.00 H new ATOM 0 HG12 VAL A 15 8.685 17.787 -11.330 1.00 0.00 H new ATOM 0 HG13 VAL A 15 9.496 18.189 -9.798 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.847 16.342 -8.052 1.00 0.00 H new ATOM 0 HG22 VAL A 15 8.149 18.036 -7.596 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.482 17.418 -7.669 1.00 0.00 H new ATOM 241 N THR A 16 6.351 19.679 -12.079 1.00 0.00 N ATOM 242 CA THR A 16 6.551 20.250 -13.424 1.00 0.00 C ATOM 243 C THR A 16 6.000 21.667 -13.563 1.00 0.00 C ATOM 244 O THR A 16 6.625 22.494 -14.226 1.00 0.00 O ATOM 245 CB THR A 16 5.970 19.336 -14.513 1.00 0.00 C ATOM 246 OG1 THR A 16 4.624 19.030 -14.246 1.00 0.00 O ATOM 247 CG2 THR A 16 6.757 18.029 -14.628 1.00 0.00 C ATOM 0 H THR A 16 5.499 19.125 -11.997 1.00 0.00 H new ATOM 0 HA THR A 16 7.630 20.317 -13.562 1.00 0.00 H new ATOM 0 HB THR A 16 6.044 19.881 -15.454 1.00 0.00 H new ATOM 0 HG1 THR A 16 4.576 18.358 -13.535 1.00 0.00 H new ATOM 0 HG21 THR A 16 6.318 17.407 -15.408 1.00 0.00 H new ATOM 0 HG22 THR A 16 7.794 18.250 -14.881 1.00 0.00 H new ATOM 0 HG23 THR A 16 6.721 17.498 -13.677 1.00 0.00 H new ATOM 255 N SER A 17 4.866 21.975 -12.933 1.00 0.00 N ATOM 256 CA SER A 17 4.219 23.294 -13.022 1.00 0.00 C ATOM 257 C SER A 17 4.932 24.368 -12.175 1.00 0.00 C ATOM 258 O SER A 17 5.060 25.515 -12.609 1.00 0.00 O ATOM 259 CB SER A 17 2.746 23.166 -12.598 1.00 0.00 C ATOM 260 OG SER A 17 2.009 24.345 -12.898 1.00 0.00 O ATOM 0 H SER A 17 4.363 21.314 -12.341 1.00 0.00 H new ATOM 0 HA SER A 17 4.284 23.625 -14.058 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.293 22.315 -13.106 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.691 22.965 -11.528 1.00 0.00 H new ATOM 0 HG SER A 17 1.077 24.229 -12.617 1.00 0.00 H new ATOM 266 N HIS A 18 5.431 24.009 -10.982 1.00 0.00 N ATOM 267 CA HIS A 18 6.115 24.930 -10.068 1.00 0.00 C ATOM 268 C HIS A 18 7.617 24.602 -9.992 1.00 0.00 C ATOM 269 O HIS A 18 8.022 23.557 -9.482 1.00 0.00 O ATOM 270 CB HIS A 18 5.459 24.867 -8.675 1.00 0.00 C ATOM 271 CG HIS A 18 3.964 25.088 -8.701 1.00 0.00 C ATOM 272 ND1 HIS A 18 3.306 26.270 -8.959 1.00 0.00 N ATOM 273 CD2 HIS A 18 3.003 24.135 -8.498 1.00 0.00 C ATOM 274 CE1 HIS A 18 1.981 26.026 -8.918 1.00 0.00 C ATOM 275 NE2 HIS A 18 1.743 24.730 -8.642 1.00 0.00 N ATOM 0 H HIS A 18 5.369 23.057 -10.622 1.00 0.00 H new ATOM 0 HA HIS A 18 6.018 25.947 -10.449 1.00 0.00 H new ATOM 0 HB2 HIS A 18 5.667 23.895 -8.228 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.918 25.618 -8.032 1.00 0.00 H new ATOM 0 HD2 HIS A 18 3.186 23.096 -8.265 1.00 0.00 H new ATOM 0 HE1 HIS A 18 1.215 26.769 -9.084 1.00 0.00 H new ATOM 0 HE2 HIS A 18 0.834 24.276 -8.556 1.00 0.00 H new ATOM 283 N LYS A 19 8.481 25.510 -10.459 1.00 0.00 N ATOM 284 CA LYS A 19 9.940 25.312 -10.525 1.00 0.00 C ATOM 285 C LYS A 19 10.599 25.481 -9.132 1.00 0.00 C ATOM 286 O LYS A 19 11.321 26.441 -8.885 1.00 0.00 O ATOM 287 CB LYS A 19 10.525 26.230 -11.621 1.00 0.00 C ATOM 288 CG LYS A 19 9.885 26.070 -13.018 1.00 0.00 C ATOM 289 CD LYS A 19 10.003 24.663 -13.628 1.00 0.00 C ATOM 290 CE LYS A 19 9.260 24.623 -14.972 1.00 0.00 C ATOM 291 NZ LYS A 19 9.501 23.355 -15.703 1.00 0.00 N ATOM 0 H LYS A 19 8.184 26.421 -10.809 1.00 0.00 H new ATOM 0 HA LYS A 19 10.168 24.285 -10.812 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.413 27.267 -11.303 1.00 0.00 H new ATOM 0 HB3 LYS A 19 11.594 26.036 -11.704 1.00 0.00 H new ATOM 0 HG2 LYS A 19 8.829 26.333 -12.950 1.00 0.00 H new ATOM 0 HG3 LYS A 19 10.349 26.785 -13.698 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.052 24.405 -13.773 1.00 0.00 H new ATOM 0 HD3 LYS A 19 9.583 23.923 -12.946 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.191 24.744 -14.799 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.580 25.463 -15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.821 23.271 -16.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.469 23.352 -16.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.382 22.552 -15.053 1.00 0.00 H new ATOM 305 N VAL A 20 10.279 24.527 -8.247 1.00 0.00 N ATOM 306 CA VAL A 20 10.657 24.263 -6.836 1.00 0.00 C ATOM 307 C VAL A 20 9.368 23.969 -6.056 1.00 0.00 C ATOM 308 O VAL A 20 8.462 24.802 -6.016 1.00 0.00 O ATOM 309 CB VAL A 20 11.495 25.355 -6.111 1.00 0.00 C ATOM 310 CG1 VAL A 20 11.526 25.097 -4.589 1.00 0.00 C ATOM 311 CG2 VAL A 20 12.974 25.367 -6.551 1.00 0.00 C ATOM 0 H VAL A 20 9.639 23.794 -8.553 1.00 0.00 H new ATOM 0 HA VAL A 20 11.342 23.415 -6.865 1.00 0.00 H new ATOM 0 HB VAL A 20 11.013 26.298 -6.368 1.00 0.00 H new ATOM 0 HG11 VAL A 20 12.117 25.872 -4.101 1.00 0.00 H new ATOM 0 HG12 VAL A 20 10.509 25.114 -4.196 1.00 0.00 H new ATOM 0 HG13 VAL A 20 11.974 24.122 -4.394 1.00 0.00 H new ATOM 0 HG21 VAL A 20 13.508 26.149 -6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 20 13.427 24.400 -6.331 1.00 0.00 H new ATOM 0 HG23 VAL A 20 13.033 25.560 -7.622 1.00 0.00 H new ATOM 321 N VAL A 21 9.315 22.796 -5.421 1.00 0.00 N ATOM 322 CA VAL A 21 8.219 22.384 -4.526 1.00 0.00 C ATOM 323 C VAL A 21 8.792 22.022 -3.159 1.00 0.00 C ATOM 324 O VAL A 21 9.767 21.282 -3.071 1.00 0.00 O ATOM 325 CB VAL A 21 7.425 21.182 -5.091 1.00 0.00 C ATOM 326 CG1 VAL A 21 6.216 20.836 -4.204 1.00 0.00 C ATOM 327 CG2 VAL A 21 6.908 21.467 -6.509 1.00 0.00 C ATOM 0 H VAL A 21 10.044 22.089 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 21 7.527 23.222 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 21 8.119 20.342 -5.112 1.00 0.00 H new ATOM 0 HG11 VAL A 21 5.682 19.987 -4.632 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.561 20.580 -3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.547 21.695 -4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 21 6.355 20.602 -6.875 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.250 22.336 -6.489 1.00 0.00 H new ATOM 0 HG23 VAL A 21 7.751 21.665 -7.171 1.00 0.00 H new ATOM 337 N LEU A 22 8.176 22.531 -2.093 1.00 0.00 N ATOM 338 CA LEU A 22 8.427 22.150 -0.708 1.00 0.00 C ATOM 339 C LEU A 22 7.332 21.185 -0.243 1.00 0.00 C ATOM 340 O LEU A 22 6.145 21.407 -0.485 1.00 0.00 O ATOM 341 CB LEU A 22 8.449 23.412 0.186 1.00 0.00 C ATOM 342 CG LEU A 22 9.770 24.206 0.247 1.00 0.00 C ATOM 343 CD1 LEU A 22 10.898 23.361 0.854 1.00 0.00 C ATOM 344 CD2 LEU A 22 10.207 24.778 -1.109 1.00 0.00 C ATOM 0 H LEU A 22 7.458 23.251 -2.177 1.00 0.00 H new ATOM 0 HA LEU A 22 9.395 21.654 -0.632 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.665 24.086 -0.160 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.187 23.112 1.201 1.00 0.00 H new ATOM 0 HG LEU A 22 9.569 25.059 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.816 23.947 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 22 10.625 23.063 1.866 1.00 0.00 H new ATOM 0 HD13 LEU A 22 11.055 22.472 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.143 25.323 -0.989 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.350 23.963 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.438 25.454 -1.483 1.00 0.00 H new ATOM 356 N PHE A 23 7.736 20.147 0.481 1.00 0.00 N ATOM 357 CA PHE A 23 6.855 19.189 1.142 1.00 0.00 C ATOM 358 C PHE A 23 7.017 19.372 2.652 1.00 0.00 C ATOM 359 O PHE A 23 8.102 19.153 3.189 1.00 0.00 O ATOM 360 CB PHE A 23 7.225 17.782 0.654 1.00 0.00 C ATOM 361 CG PHE A 23 6.843 17.559 -0.797 1.00 0.00 C ATOM 362 CD1 PHE A 23 5.511 17.239 -1.119 1.00 0.00 C ATOM 363 CD2 PHE A 23 7.786 17.733 -1.830 1.00 0.00 C ATOM 364 CE1 PHE A 23 5.118 17.101 -2.459 1.00 0.00 C ATOM 365 CE2 PHE A 23 7.391 17.581 -3.173 1.00 0.00 C ATOM 366 CZ PHE A 23 6.059 17.272 -3.489 1.00 0.00 C ATOM 0 H PHE A 23 8.724 19.941 0.630 1.00 0.00 H new ATOM 0 HA PHE A 23 5.803 19.345 0.903 1.00 0.00 H new ATOM 0 HB2 PHE A 23 8.298 17.629 0.773 1.00 0.00 H new ATOM 0 HB3 PHE A 23 6.726 17.040 1.277 1.00 0.00 H new ATOM 0 HD1 PHE A 23 4.787 17.099 -0.330 1.00 0.00 H new ATOM 0 HD2 PHE A 23 8.809 17.982 -1.592 1.00 0.00 H new ATOM 0 HE1 PHE A 23 4.092 16.863 -2.699 1.00 0.00 H new ATOM 0 HE2 PHE A 23 8.117 17.703 -3.964 1.00 0.00 H new ATOM 0 HZ PHE A 23 5.758 17.166 -4.521 1.00 0.00 H new ATOM 376 N MET A 24 5.946 19.804 3.326 1.00 0.00 N ATOM 377 CA MET A 24 5.958 20.253 4.727 1.00 0.00 C ATOM 378 C MET A 24 4.604 20.079 5.421 1.00 0.00 C ATOM 379 O MET A 24 3.571 19.939 4.773 1.00 0.00 O ATOM 380 CB MET A 24 6.388 21.732 4.780 1.00 0.00 C ATOM 381 CG MET A 24 5.550 22.640 3.862 1.00 0.00 C ATOM 382 SD MET A 24 5.499 24.388 4.339 1.00 0.00 S ATOM 383 CE MET A 24 7.269 24.742 4.417 1.00 0.00 C ATOM 0 H MET A 24 5.020 19.853 2.902 1.00 0.00 H new ATOM 0 HA MET A 24 6.669 19.626 5.266 1.00 0.00 H new ATOM 0 HB2 MET A 24 6.308 22.090 5.806 1.00 0.00 H new ATOM 0 HB3 MET A 24 7.438 21.809 4.497 1.00 0.00 H new ATOM 0 HG2 MET A 24 5.945 22.568 2.849 1.00 0.00 H new ATOM 0 HG3 MET A 24 4.529 22.258 3.834 1.00 0.00 H new ATOM 0 HE1 MET A 24 7.461 25.731 4.000 1.00 0.00 H new ATOM 0 HE2 MET A 24 7.600 24.716 5.455 1.00 0.00 H new ATOM 0 HE3 MET A 24 7.815 23.994 3.843 1.00 0.00 H new ATOM 393 N LYS A 25 4.581 20.147 6.748 1.00 0.00 N ATOM 394 CA LYS A 25 3.371 20.130 7.588 1.00 0.00 C ATOM 395 C LYS A 25 2.695 21.529 7.631 1.00 0.00 C ATOM 396 O LYS A 25 2.370 22.056 8.700 1.00 0.00 O ATOM 397 CB LYS A 25 3.802 19.595 8.969 1.00 0.00 C ATOM 398 CG LYS A 25 2.640 19.015 9.789 1.00 0.00 C ATOM 399 CD LYS A 25 3.038 18.748 11.249 1.00 0.00 C ATOM 400 CE LYS A 25 4.272 17.840 11.397 1.00 0.00 C ATOM 401 NZ LYS A 25 4.600 17.597 12.830 1.00 0.00 N ATOM 0 H LYS A 25 5.437 20.219 7.298 1.00 0.00 H new ATOM 0 HA LYS A 25 2.600 19.476 7.180 1.00 0.00 H new ATOM 0 HB2 LYS A 25 4.560 18.824 8.831 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.268 20.402 9.534 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.799 19.707 9.764 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.302 18.086 9.330 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.237 19.700 11.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.196 18.290 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 25 4.087 16.889 10.898 1.00 0.00 H new ATOM 0 HE3 LYS A 25 5.126 18.300 10.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 5.436 16.982 12.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.800 18.504 13.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 3.794 17.136 13.297 1.00 0.00 H new ATOM 415 N GLY A 26 2.567 22.177 6.464 1.00 0.00 N ATOM 416 CA GLY A 26 2.156 23.580 6.316 1.00 0.00 C ATOM 417 C GLY A 26 2.044 24.057 4.865 1.00 0.00 C ATOM 418 O GLY A 26 1.940 23.240 3.946 1.00 0.00 O ATOM 0 H GLY A 26 2.753 21.724 5.569 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.192 23.717 6.806 1.00 0.00 H new ATOM 0 HA3 GLY A 26 2.873 24.213 6.839 1.00 0.00 H new ATOM 422 N THR A 27 2.045 25.381 4.675 1.00 0.00 N ATOM 423 CA THR A 27 1.837 26.082 3.389 1.00 0.00 C ATOM 424 C THR A 27 2.849 27.215 3.207 1.00 0.00 C ATOM 425 O THR A 27 3.664 27.483 4.087 1.00 0.00 O ATOM 426 CB THR A 27 0.398 26.623 3.288 1.00 0.00 C ATOM 427 OG1 THR A 27 0.220 27.638 4.249 1.00 0.00 O ATOM 428 CG2 THR A 27 -0.668 25.547 3.500 1.00 0.00 C ATOM 0 H THR A 27 2.198 26.030 5.447 1.00 0.00 H new ATOM 0 HA THR A 27 1.991 25.359 2.588 1.00 0.00 H new ATOM 0 HB THR A 27 0.271 27.005 2.275 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.693 27.988 4.189 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.658 25.994 3.416 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.556 24.770 2.744 1.00 0.00 H new ATOM 0 HG23 THR A 27 -0.551 25.109 4.491 1.00 0.00 H new ATOM 436 N LYS A 28 2.791 27.923 2.073 1.00 0.00 N ATOM 437 CA LYS A 28 3.652 29.094 1.820 1.00 0.00 C ATOM 438 C LYS A 28 3.355 30.289 2.754 1.00 0.00 C ATOM 439 O LYS A 28 4.239 31.103 3.018 1.00 0.00 O ATOM 440 CB LYS A 28 3.560 29.472 0.328 1.00 0.00 C ATOM 441 CG LYS A 28 2.218 30.106 -0.087 1.00 0.00 C ATOM 442 CD LYS A 28 2.134 30.408 -1.591 1.00 0.00 C ATOM 443 CE LYS A 28 2.070 29.115 -2.416 1.00 0.00 C ATOM 444 NZ LYS A 28 1.836 29.368 -3.859 1.00 0.00 N ATOM 0 H LYS A 28 2.153 27.706 1.308 1.00 0.00 H new ATOM 0 HA LYS A 28 4.680 28.818 2.056 1.00 0.00 H new ATOM 0 HB2 LYS A 28 4.365 30.168 0.092 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.726 28.577 -0.272 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.405 29.434 0.189 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.071 31.030 0.472 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.252 31.015 -1.794 1.00 0.00 H new ATOM 0 HD3 LYS A 28 3.001 30.994 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.003 28.565 -2.294 1.00 0.00 H new ATOM 0 HE3 LYS A 28 1.273 28.481 -2.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.700 28.463 -4.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 0.986 29.956 -3.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 2.657 29.862 -4.262 1.00 0.00 H new ATOM 458 N ASP A 29 2.120 30.380 3.264 1.00 0.00 N ATOM 459 CA ASP A 29 1.679 31.407 4.220 1.00 0.00 C ATOM 460 C ASP A 29 1.863 30.964 5.687 1.00 0.00 C ATOM 461 O ASP A 29 2.067 31.809 6.563 1.00 0.00 O ATOM 462 CB ASP A 29 0.211 31.755 3.928 1.00 0.00 C ATOM 463 CG ASP A 29 -0.252 33.016 4.676 1.00 0.00 C ATOM 464 OD1 ASP A 29 0.360 34.093 4.475 1.00 0.00 O ATOM 465 OD2 ASP A 29 -1.257 32.943 5.423 1.00 0.00 O ATOM 0 H ASP A 29 1.379 29.724 3.017 1.00 0.00 H new ATOM 0 HA ASP A 29 2.304 32.291 4.091 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.082 31.904 2.856 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.422 30.914 4.212 1.00 0.00 H new ATOM 470 N PHE A 30 1.847 29.646 5.940 1.00 0.00 N ATOM 471 CA PHE A 30 2.129 29.023 7.238 1.00 0.00 C ATOM 472 C PHE A 30 3.259 27.972 7.115 1.00 0.00 C ATOM 473 O PHE A 30 2.985 26.769 7.194 1.00 0.00 O ATOM 474 CB PHE A 30 0.825 28.424 7.804 1.00 0.00 C ATOM 475 CG PHE A 30 -0.256 29.436 8.134 1.00 0.00 C ATOM 476 CD1 PHE A 30 -0.139 30.235 9.289 1.00 0.00 C ATOM 477 CD2 PHE A 30 -1.383 29.574 7.303 1.00 0.00 C ATOM 478 CE1 PHE A 30 -1.142 31.167 9.610 1.00 0.00 C ATOM 479 CE2 PHE A 30 -2.388 30.503 7.626 1.00 0.00 C ATOM 480 CZ PHE A 30 -2.267 31.303 8.776 1.00 0.00 C ATOM 0 H PHE A 30 1.629 28.961 5.217 1.00 0.00 H new ATOM 0 HA PHE A 30 2.490 29.776 7.938 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.426 27.712 7.081 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.063 27.862 8.707 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.724 30.131 9.930 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.476 28.965 6.416 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.049 31.778 10.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.255 30.602 6.989 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.037 32.021 9.019 1.00 0.00 H new ATOM 490 N PRO A 31 4.524 28.398 6.909 1.00 0.00 N ATOM 491 CA PRO A 31 5.676 27.502 6.886 1.00 0.00 C ATOM 492 C PRO A 31 6.040 27.041 8.305 1.00 0.00 C ATOM 493 O PRO A 31 5.609 27.630 9.298 1.00 0.00 O ATOM 494 CB PRO A 31 6.807 28.311 6.241 1.00 0.00 C ATOM 495 CG PRO A 31 6.490 29.739 6.682 1.00 0.00 C ATOM 496 CD PRO A 31 4.959 29.771 6.672 1.00 0.00 C ATOM 0 HA PRO A 31 5.475 26.590 6.324 1.00 0.00 H new ATOM 0 HB2 PRO A 31 7.787 27.987 6.591 1.00 0.00 H new ATOM 0 HB3 PRO A 31 6.807 28.213 5.155 1.00 0.00 H new ATOM 0 HG2 PRO A 31 6.892 29.954 7.672 1.00 0.00 H new ATOM 0 HG3 PRO A 31 6.914 30.476 5.999 1.00 0.00 H new ATOM 0 HD2 PRO A 31 4.578 30.439 7.444 1.00 0.00 H new ATOM 0 HD3 PRO A 31 4.583 30.140 5.718 1.00 0.00 H new ATOM 504 N GLN A 32 6.861 25.988 8.407 1.00 0.00 N ATOM 505 CA GLN A 32 7.362 25.490 9.691 1.00 0.00 C ATOM 506 C GLN A 32 8.560 26.337 10.146 1.00 0.00 C ATOM 507 O GLN A 32 9.507 26.552 9.384 1.00 0.00 O ATOM 508 CB GLN A 32 7.741 24.001 9.593 1.00 0.00 C ATOM 509 CG GLN A 32 6.559 23.107 9.170 1.00 0.00 C ATOM 510 CD GLN A 32 6.926 21.625 9.165 1.00 0.00 C ATOM 511 OE1 GLN A 32 6.957 20.981 8.127 1.00 0.00 O ATOM 512 NE2 GLN A 32 7.216 21.021 10.298 1.00 0.00 N ATOM 0 H GLN A 32 7.195 25.459 7.602 1.00 0.00 H new ATOM 0 HA GLN A 32 6.571 25.578 10.435 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.553 23.885 8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 32 8.118 23.663 10.558 1.00 0.00 H new ATOM 0 HG2 GLN A 32 5.722 23.269 9.849 1.00 0.00 H new ATOM 0 HG3 GLN A 32 6.223 23.399 8.175 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.195 21.543 11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 32 7.462 20.031 10.300 1.00 0.00 H new ATOM 521 N CYS A 33 8.522 26.811 11.393 1.00 0.00 N ATOM 522 CA CYS A 33 9.534 27.713 11.959 1.00 0.00 C ATOM 523 C CYS A 33 10.928 27.060 12.050 1.00 0.00 C ATOM 524 O CYS A 33 11.056 25.854 12.283 1.00 0.00 O ATOM 525 CB CYS A 33 9.048 28.238 13.319 1.00 0.00 C ATOM 526 SG CYS A 33 7.647 29.376 13.075 1.00 0.00 S ATOM 0 H CYS A 33 7.777 26.577 12.050 1.00 0.00 H new ATOM 0 HA CYS A 33 9.657 28.557 11.281 1.00 0.00 H new ATOM 0 HB2 CYS A 33 8.746 27.405 13.954 1.00 0.00 H new ATOM 0 HB3 CYS A 33 9.861 28.752 13.833 1.00 0.00 H new ATOM 0 HG CYS A 33 7.239 29.815 14.228 1.00 0.00 H new ATOM 532 N GLY A 34 11.978 27.873 11.883 1.00 0.00 N ATOM 533 CA GLY A 34 13.372 27.414 11.820 1.00 0.00 C ATOM 534 C GLY A 34 13.793 27.094 10.388 1.00 0.00 C ATOM 535 O GLY A 34 13.853 27.995 9.549 1.00 0.00 O ATOM 0 H GLY A 34 11.882 28.884 11.786 1.00 0.00 H new ATOM 0 HA2 GLY A 34 14.028 28.182 12.230 1.00 0.00 H new ATOM 0 HA3 GLY A 34 13.492 26.527 12.442 1.00 0.00 H new ATOM 539 N PHE A 35 14.113 25.828 10.104 1.00 0.00 N ATOM 540 CA PHE A 35 14.706 25.400 8.832 1.00 0.00 C ATOM 541 C PHE A 35 13.811 25.698 7.622 1.00 0.00 C ATOM 542 O PHE A 35 14.244 26.387 6.705 1.00 0.00 O ATOM 543 CB PHE A 35 15.076 23.910 8.912 1.00 0.00 C ATOM 544 CG PHE A 35 16.156 23.586 9.927 1.00 0.00 C ATOM 545 CD1 PHE A 35 17.509 23.813 9.609 1.00 0.00 C ATOM 546 CD2 PHE A 35 15.814 23.055 11.187 1.00 0.00 C ATOM 547 CE1 PHE A 35 18.514 23.520 10.548 1.00 0.00 C ATOM 548 CE2 PHE A 35 16.821 22.766 12.126 1.00 0.00 C ATOM 549 CZ PHE A 35 18.170 22.999 11.807 1.00 0.00 C ATOM 0 H PHE A 35 13.966 25.061 10.760 1.00 0.00 H new ATOM 0 HA PHE A 35 15.611 25.986 8.674 1.00 0.00 H new ATOM 0 HB2 PHE A 35 14.181 23.339 9.157 1.00 0.00 H new ATOM 0 HB3 PHE A 35 15.407 23.577 7.928 1.00 0.00 H new ATOM 0 HD1 PHE A 35 17.775 24.213 8.642 1.00 0.00 H new ATOM 0 HD2 PHE A 35 14.779 22.870 11.432 1.00 0.00 H new ATOM 0 HE1 PHE A 35 19.551 23.695 10.301 1.00 0.00 H new ATOM 0 HE2 PHE A 35 16.557 22.365 13.093 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.942 22.778 12.529 1.00 0.00 H new ATOM 559 N SER A 36 12.558 25.243 7.597 1.00 0.00 N ATOM 560 CA SER A 36 11.679 25.428 6.424 1.00 0.00 C ATOM 561 C SER A 36 11.324 26.908 6.190 1.00 0.00 C ATOM 562 O SER A 36 11.392 27.384 5.060 1.00 0.00 O ATOM 563 CB SER A 36 10.420 24.572 6.568 1.00 0.00 C ATOM 564 OG SER A 36 10.778 23.220 6.801 1.00 0.00 O ATOM 0 H SER A 36 12.122 24.743 8.372 1.00 0.00 H new ATOM 0 HA SER A 36 12.228 25.097 5.543 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.810 24.943 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.814 24.646 5.665 1.00 0.00 H new ATOM 0 HG SER A 36 11.432 22.934 6.129 1.00 0.00 H new ATOM 570 N GLN A 37 11.077 27.669 7.263 1.00 0.00 N ATOM 571 CA GLN A 37 10.925 29.133 7.248 1.00 0.00 C ATOM 572 C GLN A 37 12.156 29.813 6.621 1.00 0.00 C ATOM 573 O GLN A 37 12.010 30.647 5.724 1.00 0.00 O ATOM 574 CB GLN A 37 10.708 29.577 8.707 1.00 0.00 C ATOM 575 CG GLN A 37 10.647 31.096 8.939 1.00 0.00 C ATOM 576 CD GLN A 37 10.536 31.445 10.432 1.00 0.00 C ATOM 577 OE1 GLN A 37 11.020 30.737 11.308 1.00 0.00 O ATOM 578 NE2 GLN A 37 9.900 32.546 10.782 1.00 0.00 N ATOM 0 H GLN A 37 10.974 27.272 8.197 1.00 0.00 H new ATOM 0 HA GLN A 37 10.074 29.429 6.634 1.00 0.00 H new ATOM 0 HB2 GLN A 37 9.779 29.135 9.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 11.514 29.167 9.316 1.00 0.00 H new ATOM 0 HG2 GLN A 37 11.540 31.563 8.523 1.00 0.00 H new ATOM 0 HG3 GLN A 37 9.792 31.511 8.405 1.00 0.00 H new ATOM 0 HE21 GLN A 37 9.491 33.148 10.067 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.817 32.796 11.767 1.00 0.00 H new ATOM 587 N THR A 38 13.366 29.406 7.034 1.00 0.00 N ATOM 588 CA THR A 38 14.631 29.865 6.438 1.00 0.00 C ATOM 589 C THR A 38 14.693 29.474 4.965 1.00 0.00 C ATOM 590 O THR A 38 14.990 30.318 4.129 1.00 0.00 O ATOM 591 CB THR A 38 15.851 29.344 7.218 1.00 0.00 C ATOM 592 OG1 THR A 38 15.750 29.748 8.563 1.00 0.00 O ATOM 593 CG2 THR A 38 17.162 29.915 6.671 1.00 0.00 C ATOM 0 H THR A 38 13.496 28.743 7.798 1.00 0.00 H new ATOM 0 HA THR A 38 14.662 30.953 6.503 1.00 0.00 H new ATOM 0 HB THR A 38 15.860 28.259 7.119 1.00 0.00 H new ATOM 0 HG1 THR A 38 15.080 29.198 9.020 1.00 0.00 H new ATOM 0 HG21 THR A 38 17.999 29.523 7.249 1.00 0.00 H new ATOM 0 HG22 THR A 38 17.276 29.627 5.626 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.146 31.002 6.748 1.00 0.00 H new ATOM 601 N VAL A 39 14.349 28.233 4.622 1.00 0.00 N ATOM 602 CA VAL A 39 14.354 27.740 3.234 1.00 0.00 C ATOM 603 C VAL A 39 13.380 28.507 2.334 1.00 0.00 C ATOM 604 O VAL A 39 13.784 28.899 1.244 1.00 0.00 O ATOM 605 CB VAL A 39 14.139 26.214 3.151 1.00 0.00 C ATOM 606 CG1 VAL A 39 13.840 25.735 1.723 1.00 0.00 C ATOM 607 CG2 VAL A 39 15.400 25.494 3.654 1.00 0.00 C ATOM 0 H VAL A 39 14.056 27.531 5.301 1.00 0.00 H new ATOM 0 HA VAL A 39 15.354 27.937 2.847 1.00 0.00 H new ATOM 0 HB VAL A 39 13.274 25.979 3.771 1.00 0.00 H new ATOM 0 HG11 VAL A 39 13.698 24.654 1.724 1.00 0.00 H new ATOM 0 HG12 VAL A 39 12.934 26.220 1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 39 14.676 25.990 1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 39 15.251 24.416 3.596 1.00 0.00 H new ATOM 0 HG22 VAL A 39 16.251 25.776 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 39 15.593 25.779 4.688 1.00 0.00 H new ATOM 617 N VAL A 40 12.138 28.787 2.750 1.00 0.00 N ATOM 618 CA VAL A 40 11.228 29.564 1.894 1.00 0.00 C ATOM 619 C VAL A 40 11.716 31.012 1.701 1.00 0.00 C ATOM 620 O VAL A 40 11.599 31.541 0.599 1.00 0.00 O ATOM 621 CB VAL A 40 9.755 29.508 2.342 1.00 0.00 C ATOM 622 CG1 VAL A 40 9.201 28.074 2.257 1.00 0.00 C ATOM 623 CG2 VAL A 40 9.471 30.104 3.725 1.00 0.00 C ATOM 0 H VAL A 40 11.747 28.498 3.647 1.00 0.00 H new ATOM 0 HA VAL A 40 11.255 29.075 0.920 1.00 0.00 H new ATOM 0 HB VAL A 40 9.232 30.152 1.634 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.160 28.066 2.579 1.00 0.00 H new ATOM 0 HG12 VAL A 40 9.265 27.720 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 40 9.786 27.419 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 40 8.408 30.016 3.948 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.045 29.565 4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.758 31.155 3.734 1.00 0.00 H new ATOM 633 N GLN A 41 12.337 31.626 2.720 1.00 0.00 N ATOM 634 CA GLN A 41 13.025 32.916 2.573 1.00 0.00 C ATOM 635 C GLN A 41 14.252 32.810 1.649 1.00 0.00 C ATOM 636 O GLN A 41 14.522 33.737 0.884 1.00 0.00 O ATOM 637 CB GLN A 41 13.398 33.456 3.967 1.00 0.00 C ATOM 638 CG GLN A 41 14.056 34.849 3.944 1.00 0.00 C ATOM 639 CD GLN A 41 13.187 35.940 3.301 1.00 0.00 C ATOM 640 OE1 GLN A 41 11.970 35.976 3.432 1.00 0.00 O ATOM 641 NE2 GLN A 41 13.770 36.869 2.567 1.00 0.00 N ATOM 0 H GLN A 41 12.376 31.243 3.665 1.00 0.00 H new ATOM 0 HA GLN A 41 12.348 33.623 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.498 33.501 4.581 1.00 0.00 H new ATOM 0 HB3 GLN A 41 14.077 32.752 4.448 1.00 0.00 H new ATOM 0 HG2 GLN A 41 14.294 35.144 4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 41 15.000 34.785 3.403 1.00 0.00 H new ATOM 0 HE21 GLN A 41 14.782 36.860 2.443 1.00 0.00 H new ATOM 0 HE22 GLN A 41 13.208 37.596 2.124 1.00 0.00 H new ATOM 650 N ILE A 42 14.979 31.690 1.671 1.00 0.00 N ATOM 651 CA ILE A 42 16.090 31.393 0.754 1.00 0.00 C ATOM 652 C ILE A 42 15.633 31.368 -0.708 1.00 0.00 C ATOM 653 O ILE A 42 16.238 32.089 -1.491 1.00 0.00 O ATOM 654 CB ILE A 42 16.844 30.116 1.212 1.00 0.00 C ATOM 655 CG1 ILE A 42 17.829 30.489 2.344 1.00 0.00 C ATOM 656 CG2 ILE A 42 17.530 29.364 0.058 1.00 0.00 C ATOM 657 CD1 ILE A 42 18.504 29.285 3.014 1.00 0.00 C ATOM 0 H ILE A 42 14.809 30.943 2.344 1.00 0.00 H new ATOM 0 HA ILE A 42 16.815 32.206 0.800 1.00 0.00 H new ATOM 0 HB ILE A 42 16.110 29.408 1.597 1.00 0.00 H new ATOM 0 HG12 ILE A 42 18.600 31.144 1.938 1.00 0.00 H new ATOM 0 HG13 ILE A 42 17.293 31.059 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 42 18.038 28.482 0.449 1.00 0.00 H new ATOM 0 HG22 ILE A 42 16.781 29.057 -0.672 1.00 0.00 H new ATOM 0 HG23 ILE A 42 18.258 30.019 -0.421 1.00 0.00 H new ATOM 0 HD11 ILE A 42 19.178 29.634 3.796 1.00 0.00 H new ATOM 0 HD12 ILE A 42 17.743 28.639 3.453 1.00 0.00 H new ATOM 0 HD13 ILE A 42 19.070 28.725 2.270 1.00 0.00 H new ATOM 669 N LEU A 43 14.577 30.633 -1.093 1.00 0.00 N ATOM 670 CA LEU A 43 14.095 30.634 -2.491 1.00 0.00 C ATOM 671 C LEU A 43 13.697 32.045 -2.942 1.00 0.00 C ATOM 672 O LEU A 43 14.133 32.514 -4.000 1.00 0.00 O ATOM 673 CB LEU A 43 12.898 29.674 -2.679 1.00 0.00 C ATOM 674 CG LEU A 43 13.181 28.164 -2.810 1.00 0.00 C ATOM 675 CD1 LEU A 43 14.322 27.837 -3.786 1.00 0.00 C ATOM 676 CD2 LEU A 43 13.436 27.479 -1.468 1.00 0.00 C ATOM 0 H LEU A 43 14.042 30.034 -0.464 1.00 0.00 H new ATOM 0 HA LEU A 43 14.922 30.286 -3.110 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.225 29.813 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 43 12.357 29.989 -3.572 1.00 0.00 H new ATOM 0 HG LEU A 43 12.259 27.760 -3.227 1.00 0.00 H new ATOM 0 HD11 LEU A 43 14.466 26.757 -3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 43 14.069 28.209 -4.779 1.00 0.00 H new ATOM 0 HD13 LEU A 43 15.241 28.313 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 43 13.628 26.419 -1.631 1.00 0.00 H new ATOM 0 HD22 LEU A 43 14.301 27.934 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 43 12.561 27.595 -0.828 1.00 0.00 H new ATOM 688 N LYS A 44 12.931 32.750 -2.099 1.00 0.00 N ATOM 689 CA LYS A 44 12.572 34.154 -2.328 1.00 0.00 C ATOM 690 C LYS A 44 13.834 34.967 -2.662 1.00 0.00 C ATOM 691 O LYS A 44 13.922 35.512 -3.762 1.00 0.00 O ATOM 692 CB LYS A 44 11.817 34.705 -1.098 1.00 0.00 C ATOM 693 CG LYS A 44 10.425 34.073 -0.925 1.00 0.00 C ATOM 694 CD LYS A 44 9.302 34.804 -1.679 1.00 0.00 C ATOM 695 CE LYS A 44 8.897 36.080 -0.918 1.00 0.00 C ATOM 696 NZ LYS A 44 7.798 36.814 -1.602 1.00 0.00 N ATOM 0 H LYS A 44 12.543 32.362 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 44 11.901 34.237 -3.183 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.409 34.522 -0.201 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.712 35.786 -1.195 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.463 33.039 -1.267 1.00 0.00 H new ATOM 0 HG3 LYS A 44 10.179 34.049 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 44 9.636 35.061 -2.684 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.439 34.147 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 44 8.582 35.815 0.091 1.00 0.00 H new ATOM 0 HE3 LYS A 44 9.764 36.734 -0.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.557 37.666 -1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.106 37.090 -2.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 6.962 36.200 -1.672 1.00 0.00 H new ATOM 710 N SER A 45 14.836 34.924 -1.774 1.00 0.00 N ATOM 711 CA SER A 45 16.124 35.645 -1.841 1.00 0.00 C ATOM 712 C SER A 45 17.060 35.207 -2.989 1.00 0.00 C ATOM 713 O SER A 45 17.828 36.029 -3.495 1.00 0.00 O ATOM 714 CB SER A 45 16.891 35.483 -0.515 1.00 0.00 C ATOM 715 OG SER A 45 16.109 35.835 0.618 1.00 0.00 O ATOM 0 H SER A 45 14.769 34.349 -0.934 1.00 0.00 H new ATOM 0 HA SER A 45 15.849 36.682 -2.034 1.00 0.00 H new ATOM 0 HB2 SER A 45 17.222 34.449 -0.416 1.00 0.00 H new ATOM 0 HB3 SER A 45 17.787 36.104 -0.540 1.00 0.00 H new ATOM 0 HG SER A 45 15.648 35.040 0.957 1.00 0.00 H new ATOM 721 N LEU A 46 16.985 33.940 -3.424 1.00 0.00 N ATOM 722 CA LEU A 46 17.630 33.402 -4.632 1.00 0.00 C ATOM 723 C LEU A 46 17.124 34.169 -5.870 1.00 0.00 C ATOM 724 O LEU A 46 17.867 34.357 -6.831 1.00 0.00 O ATOM 725 CB LEU A 46 17.309 31.886 -4.678 1.00 0.00 C ATOM 726 CG LEU A 46 18.277 30.966 -5.444 1.00 0.00 C ATOM 727 CD1 LEU A 46 17.942 29.508 -5.091 1.00 0.00 C ATOM 728 CD2 LEU A 46 18.222 31.141 -6.965 1.00 0.00 C ATOM 0 H LEU A 46 16.450 33.231 -2.922 1.00 0.00 H new ATOM 0 HA LEU A 46 18.712 33.530 -4.619 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.248 31.526 -3.651 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.318 31.767 -5.116 1.00 0.00 H new ATOM 0 HG LEU A 46 19.288 31.237 -5.140 1.00 0.00 H new ATOM 0 HD11 LEU A 46 18.618 28.840 -5.625 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.056 29.358 -4.017 1.00 0.00 H new ATOM 0 HD13 LEU A 46 16.914 29.291 -5.380 1.00 0.00 H new ATOM 0 HD21 LEU A 46 18.931 30.460 -7.435 1.00 0.00 H new ATOM 0 HD22 LEU A 46 17.216 30.920 -7.321 1.00 0.00 H new ATOM 0 HD23 LEU A 46 18.480 32.168 -7.223 1.00 0.00 H new ATOM 740 N ASN A 47 15.871 34.633 -5.785 1.00 0.00 N ATOM 741 CA ASN A 47 15.107 35.550 -6.655 1.00 0.00 C ATOM 742 C ASN A 47 14.058 34.710 -7.396 1.00 0.00 C ATOM 743 O ASN A 47 13.979 34.722 -8.629 1.00 0.00 O ATOM 744 CB ASN A 47 15.947 36.466 -7.577 1.00 0.00 C ATOM 745 CG ASN A 47 16.869 37.426 -6.826 1.00 0.00 C ATOM 746 OD1 ASN A 47 18.072 37.483 -7.056 1.00 0.00 O ATOM 747 ND2 ASN A 47 16.337 38.244 -5.929 1.00 0.00 N ATOM 0 H ASN A 47 15.289 34.337 -5.002 1.00 0.00 H new ATOM 0 HA ASN A 47 14.621 36.294 -6.023 1.00 0.00 H new ATOM 0 HB2 ASN A 47 16.549 35.844 -8.239 1.00 0.00 H new ATOM 0 HB3 ASN A 47 15.273 37.045 -8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.927 38.914 -5.436 1.00 0.00 H new ATOM 0 HD22 ASN A 47 15.337 38.203 -5.731 1.00 0.00 H new ATOM 754 N ALA A 48 13.277 33.941 -6.625 1.00 0.00 N ATOM 755 CA ALA A 48 12.396 32.910 -7.199 1.00 0.00 C ATOM 756 C ALA A 48 11.116 32.599 -6.388 1.00 0.00 C ATOM 757 O ALA A 48 11.112 32.752 -5.161 1.00 0.00 O ATOM 758 CB ALA A 48 13.239 31.633 -7.379 1.00 0.00 C ATOM 0 H ALA A 48 13.236 34.011 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 48 12.019 33.301 -8.144 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.618 30.844 -7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 48 14.073 31.839 -8.050 1.00 0.00 H new ATOM 0 HB3 ALA A 48 13.623 31.311 -6.411 1.00 0.00 H new ATOM 764 N PRO A 49 10.043 32.131 -7.065 1.00 0.00 N ATOM 765 CA PRO A 49 8.842 31.592 -6.433 1.00 0.00 C ATOM 766 C PRO A 49 9.044 30.115 -6.041 1.00 0.00 C ATOM 767 O PRO A 49 10.084 29.510 -6.308 1.00 0.00 O ATOM 768 CB PRO A 49 7.746 31.756 -7.493 1.00 0.00 C ATOM 769 CG PRO A 49 8.503 31.492 -8.792 1.00 0.00 C ATOM 770 CD PRO A 49 9.868 32.124 -8.518 1.00 0.00 C ATOM 0 HA PRO A 49 8.587 32.106 -5.506 1.00 0.00 H new ATOM 0 HB2 PRO A 49 6.931 31.048 -7.347 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.308 32.754 -7.474 1.00 0.00 H new ATOM 0 HG2 PRO A 49 8.585 30.426 -9.004 1.00 0.00 H new ATOM 0 HG3 PRO A 49 8.009 31.950 -9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.662 31.555 -9.001 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.913 33.137 -8.918 1.00 0.00 H new ATOM 778 N PHE A 50 8.007 29.529 -5.438 1.00 0.00 N ATOM 779 CA PHE A 50 7.927 28.131 -5.008 1.00 0.00 C ATOM 780 C PHE A 50 6.464 27.743 -4.712 1.00 0.00 C ATOM 781 O PHE A 50 5.576 28.600 -4.678 1.00 0.00 O ATOM 782 CB PHE A 50 8.828 27.899 -3.773 1.00 0.00 C ATOM 783 CG PHE A 50 8.391 28.669 -2.539 1.00 0.00 C ATOM 784 CD1 PHE A 50 8.805 30.004 -2.360 1.00 0.00 C ATOM 785 CD2 PHE A 50 7.528 28.072 -1.599 1.00 0.00 C ATOM 786 CE1 PHE A 50 8.323 30.750 -1.272 1.00 0.00 C ATOM 787 CE2 PHE A 50 7.054 28.820 -0.509 1.00 0.00 C ATOM 788 CZ PHE A 50 7.437 30.163 -0.353 1.00 0.00 C ATOM 0 H PHE A 50 7.154 30.046 -5.225 1.00 0.00 H new ATOM 0 HA PHE A 50 8.287 27.492 -5.814 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.840 26.834 -3.539 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.850 28.182 -4.023 1.00 0.00 H new ATOM 0 HD1 PHE A 50 9.493 30.454 -3.060 1.00 0.00 H new ATOM 0 HD2 PHE A 50 7.231 27.040 -1.717 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.634 31.776 -1.142 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.393 28.362 0.212 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.051 30.743 0.472 1.00 0.00 H new ATOM 798 N GLU A 51 6.215 26.454 -4.471 1.00 0.00 N ATOM 799 CA GLU A 51 4.936 25.951 -3.965 1.00 0.00 C ATOM 800 C GLU A 51 5.180 25.075 -2.731 1.00 0.00 C ATOM 801 O GLU A 51 6.208 24.413 -2.644 1.00 0.00 O ATOM 802 CB GLU A 51 4.200 25.200 -5.086 1.00 0.00 C ATOM 803 CG GLU A 51 2.780 24.756 -4.712 1.00 0.00 C ATOM 804 CD GLU A 51 1.961 25.927 -4.155 1.00 0.00 C ATOM 805 OE1 GLU A 51 1.489 26.784 -4.940 1.00 0.00 O ATOM 806 OE2 GLU A 51 1.851 26.034 -2.911 1.00 0.00 O ATOM 0 H GLU A 51 6.906 25.720 -4.624 1.00 0.00 H new ATOM 0 HA GLU A 51 4.297 26.778 -3.654 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.149 25.841 -5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.783 24.322 -5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.282 24.345 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.829 23.958 -3.971 1.00 0.00 H new ATOM 813 N SER A 52 4.254 25.052 -1.776 1.00 0.00 N ATOM 814 CA SER A 52 4.369 24.263 -0.541 1.00 0.00 C ATOM 815 C SER A 52 3.179 23.301 -0.402 1.00 0.00 C ATOM 816 O SER A 52 2.046 23.729 -0.177 1.00 0.00 O ATOM 817 CB SER A 52 4.439 25.167 0.696 1.00 0.00 C ATOM 818 OG SER A 52 5.703 25.795 0.817 1.00 0.00 O ATOM 0 H SER A 52 3.388 25.587 -1.834 1.00 0.00 H new ATOM 0 HA SER A 52 5.294 23.690 -0.606 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.660 25.927 0.636 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.239 24.576 1.590 1.00 0.00 H new ATOM 0 HG SER A 52 5.711 26.364 1.615 1.00 0.00 H new ATOM 824 N VAL A 53 3.443 21.996 -0.514 1.00 0.00 N ATOM 825 CA VAL A 53 2.445 20.931 -0.347 1.00 0.00 C ATOM 826 C VAL A 53 2.329 20.569 1.136 1.00 0.00 C ATOM 827 O VAL A 53 3.321 20.185 1.760 1.00 0.00 O ATOM 828 CB VAL A 53 2.808 19.682 -1.183 1.00 0.00 C ATOM 829 CG1 VAL A 53 1.838 18.510 -0.933 1.00 0.00 C ATOM 830 CG2 VAL A 53 2.808 20.008 -2.686 1.00 0.00 C ATOM 0 H VAL A 53 4.375 21.641 -0.728 1.00 0.00 H new ATOM 0 HA VAL A 53 1.484 21.297 -0.707 1.00 0.00 H new ATOM 0 HB VAL A 53 3.807 19.382 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 53 2.134 17.656 -1.542 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.868 18.232 0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 53 0.825 18.812 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.066 19.113 -3.252 1.00 0.00 H new ATOM 0 HG22 VAL A 53 1.818 20.353 -2.984 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.540 20.790 -2.889 1.00 0.00 H new ATOM 840 N ASN A 54 1.105 20.645 1.673 1.00 0.00 N ATOM 841 CA ASN A 54 0.779 20.157 3.012 1.00 0.00 C ATOM 842 C ASN A 54 0.753 18.618 3.032 1.00 0.00 C ATOM 843 O ASN A 54 -0.172 18.003 2.498 1.00 0.00 O ATOM 844 CB ASN A 54 -0.561 20.756 3.464 1.00 0.00 C ATOM 845 CG ASN A 54 -0.973 20.242 4.845 1.00 0.00 C ATOM 846 OD1 ASN A 54 -0.228 20.338 5.813 1.00 0.00 O ATOM 847 ND2 ASN A 54 -2.166 19.683 4.960 1.00 0.00 N ATOM 0 H ASN A 54 0.308 21.051 1.183 1.00 0.00 H new ATOM 0 HA ASN A 54 1.549 20.476 3.715 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -0.484 21.843 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.334 20.507 2.737 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.477 19.325 5.863 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -2.776 19.610 4.145 1.00 0.00 H new ATOM 854 N ILE A 55 1.778 17.987 3.618 1.00 0.00 N ATOM 855 CA ILE A 55 1.895 16.515 3.738 1.00 0.00 C ATOM 856 C ILE A 55 1.236 15.985 5.029 1.00 0.00 C ATOM 857 O ILE A 55 0.573 16.739 5.739 1.00 0.00 O ATOM 858 CB ILE A 55 3.372 16.066 3.581 1.00 0.00 C ATOM 859 CG1 ILE A 55 4.288 16.674 4.664 1.00 0.00 C ATOM 860 CG2 ILE A 55 3.876 16.429 2.177 1.00 0.00 C ATOM 861 CD1 ILE A 55 5.605 15.927 4.853 1.00 0.00 C ATOM 0 H ILE A 55 2.566 18.486 4.031 1.00 0.00 H new ATOM 0 HA ILE A 55 1.336 16.063 2.918 1.00 0.00 H new ATOM 0 HB ILE A 55 3.407 14.984 3.712 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.504 17.710 4.403 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.751 16.689 5.613 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.914 16.112 2.070 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.264 15.925 1.429 1.00 0.00 H new ATOM 0 HG23 ILE A 55 3.809 17.508 2.034 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.192 16.416 5.631 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.400 14.897 5.146 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.165 15.934 3.918 1.00 0.00 H new ATOM 873 N LEU A 56 1.387 14.678 5.317 1.00 0.00 N ATOM 874 CA LEU A 56 1.032 13.985 6.581 1.00 0.00 C ATOM 875 C LEU A 56 -0.484 13.877 6.866 1.00 0.00 C ATOM 876 O LEU A 56 -0.889 13.075 7.705 1.00 0.00 O ATOM 877 CB LEU A 56 1.799 14.614 7.772 1.00 0.00 C ATOM 878 CG LEU A 56 3.325 14.377 7.745 1.00 0.00 C ATOM 879 CD1 LEU A 56 4.003 15.247 8.809 1.00 0.00 C ATOM 880 CD2 LEU A 56 3.706 12.906 7.973 1.00 0.00 C ATOM 0 H LEU A 56 1.785 14.033 4.634 1.00 0.00 H new ATOM 0 HA LEU A 56 1.350 12.950 6.450 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.611 15.688 7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.397 14.210 8.701 1.00 0.00 H new ATOM 0 HG LEU A 56 3.670 14.651 6.748 1.00 0.00 H new ATOM 0 HD11 LEU A 56 5.079 15.077 8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.798 16.298 8.605 1.00 0.00 H new ATOM 0 HD13 LEU A 56 3.615 14.986 9.794 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.791 12.802 7.943 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.337 12.581 8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.261 12.290 7.192 1.00 0.00 H new ATOM 892 N GLU A 57 -1.316 14.636 6.148 1.00 0.00 N ATOM 893 CA GLU A 57 -2.773 14.709 6.307 1.00 0.00 C ATOM 894 C GLU A 57 -3.522 13.394 5.973 1.00 0.00 C ATOM 895 O GLU A 57 -4.654 13.203 6.421 1.00 0.00 O ATOM 896 CB GLU A 57 -3.294 15.869 5.432 1.00 0.00 C ATOM 897 CG GLU A 57 -4.538 16.568 5.993 1.00 0.00 C ATOM 898 CD GLU A 57 -4.221 17.359 7.272 1.00 0.00 C ATOM 899 OE1 GLU A 57 -3.553 18.417 7.178 1.00 0.00 O ATOM 900 OE2 GLU A 57 -4.647 16.933 8.374 1.00 0.00 O ATOM 0 H GLU A 57 -0.977 15.246 5.404 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.977 14.883 7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.499 16.606 5.314 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.524 15.485 4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -4.946 17.243 5.240 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.307 15.825 6.206 1.00 0.00 H new ATOM 907 N ASN A 58 -2.897 12.479 5.214 1.00 0.00 N ATOM 908 CA ASN A 58 -3.428 11.151 4.858 1.00 0.00 C ATOM 909 C ASN A 58 -2.305 10.166 4.458 1.00 0.00 C ATOM 910 O ASN A 58 -1.166 10.576 4.230 1.00 0.00 O ATOM 911 CB ASN A 58 -4.512 11.284 3.764 1.00 0.00 C ATOM 912 CG ASN A 58 -3.992 11.816 2.430 1.00 0.00 C ATOM 913 OD1 ASN A 58 -2.999 11.342 1.894 1.00 0.00 O ATOM 914 ND2 ASN A 58 -4.644 12.805 1.850 1.00 0.00 N ATOM 0 H ASN A 58 -1.973 12.649 4.816 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.899 10.723 5.743 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.969 10.308 3.600 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -5.298 11.947 4.126 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -4.321 13.174 0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -5.472 13.201 2.296 1.00 0.00 H new ATOM 921 N GLU A 59 -2.620 8.870 4.328 1.00 0.00 N ATOM 922 CA GLU A 59 -1.626 7.819 4.050 1.00 0.00 C ATOM 923 C GLU A 59 -0.949 7.954 2.682 1.00 0.00 C ATOM 924 O GLU A 59 0.234 7.650 2.564 1.00 0.00 O ATOM 925 CB GLU A 59 -2.258 6.420 4.179 1.00 0.00 C ATOM 926 CG GLU A 59 -2.625 6.053 5.622 1.00 0.00 C ATOM 927 CD GLU A 59 -1.407 6.125 6.551 1.00 0.00 C ATOM 928 OE1 GLU A 59 -0.445 5.343 6.366 1.00 0.00 O ATOM 929 OE2 GLU A 59 -1.373 6.996 7.448 1.00 0.00 O ATOM 0 H GLU A 59 -3.574 8.518 4.413 1.00 0.00 H new ATOM 0 HA GLU A 59 -0.847 7.948 4.801 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.154 6.375 3.560 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -1.563 5.677 3.788 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.400 6.729 5.984 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.043 5.047 5.647 1.00 0.00 H new ATOM 936 N LEU A 60 -1.641 8.474 1.662 1.00 0.00 N ATOM 937 CA LEU A 60 -1.059 8.734 0.340 1.00 0.00 C ATOM 938 C LEU A 60 0.046 9.802 0.415 1.00 0.00 C ATOM 939 O LEU A 60 1.078 9.664 -0.238 1.00 0.00 O ATOM 940 CB LEU A 60 -2.189 9.118 -0.647 1.00 0.00 C ATOM 941 CG LEU A 60 -2.945 7.953 -1.325 1.00 0.00 C ATOM 942 CD1 LEU A 60 -2.034 7.170 -2.284 1.00 0.00 C ATOM 943 CD2 LEU A 60 -3.602 6.989 -0.328 1.00 0.00 C ATOM 0 H LEU A 60 -2.627 8.728 1.731 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.576 7.829 -0.029 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.916 9.729 -0.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.760 9.745 -1.428 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.746 8.424 -1.894 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.600 6.359 -2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.664 7.838 -3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.191 6.757 -1.729 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.115 6.196 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.837 6.552 0.314 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.322 7.533 0.284 1.00 0.00 H new ATOM 955 N LEU A 61 -0.117 10.813 1.273 1.00 0.00 N ATOM 956 CA LEU A 61 0.908 11.826 1.568 1.00 0.00 C ATOM 957 C LEU A 61 2.036 11.298 2.478 1.00 0.00 C ATOM 958 O LEU A 61 3.128 11.858 2.436 1.00 0.00 O ATOM 959 CB LEU A 61 0.228 13.063 2.190 1.00 0.00 C ATOM 960 CG LEU A 61 -0.715 13.827 1.238 1.00 0.00 C ATOM 961 CD1 LEU A 61 -1.590 14.783 2.061 1.00 0.00 C ATOM 962 CD2 LEU A 61 0.062 14.614 0.171 1.00 0.00 C ATOM 0 H LEU A 61 -0.982 10.956 1.794 1.00 0.00 H new ATOM 0 HA LEU A 61 1.390 12.097 0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.340 12.747 3.065 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.000 13.747 2.541 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.337 13.100 0.716 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.260 15.327 1.395 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.178 14.211 2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.954 15.490 2.594 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.640 15.137 -0.478 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.716 15.338 0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.662 13.925 -0.424 1.00 0.00 H new ATOM 974 N ARG A 62 1.806 10.242 3.275 1.00 0.00 N ATOM 975 CA ARG A 62 2.862 9.593 4.078 1.00 0.00 C ATOM 976 C ARG A 62 3.686 8.579 3.266 1.00 0.00 C ATOM 977 O ARG A 62 4.914 8.622 3.282 1.00 0.00 O ATOM 978 CB ARG A 62 2.292 8.880 5.323 1.00 0.00 C ATOM 979 CG ARG A 62 1.516 9.795 6.286 1.00 0.00 C ATOM 980 CD ARG A 62 1.608 9.333 7.749 1.00 0.00 C ATOM 981 NE ARG A 62 1.257 7.909 7.899 1.00 0.00 N ATOM 982 CZ ARG A 62 2.007 6.926 8.382 1.00 0.00 C ATOM 983 NH1 ARG A 62 3.177 7.127 8.955 1.00 0.00 N ATOM 984 NH2 ARG A 62 1.562 5.696 8.273 1.00 0.00 N ATOM 0 H ARG A 62 0.887 9.813 3.383 1.00 0.00 H new ATOM 0 HA ARG A 62 3.516 10.406 4.394 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.632 8.077 4.995 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.114 8.415 5.867 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.902 10.811 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.469 9.827 5.985 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.620 9.498 8.119 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.941 9.938 8.363 1.00 0.00 H new ATOM 0 HE ARG A 62 0.320 7.646 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 62 3.546 8.074 9.044 1.00 0.00 H new ATOM 0 HH12 ARG A 62 3.714 6.336 9.310 1.00 0.00 H new ATOM 0 HH21 ARG A 62 0.663 5.517 7.827 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.116 4.919 8.635 1.00 0.00 H new ATOM 998 N GLN A 63 3.018 7.648 2.580 1.00 0.00 N ATOM 999 CA GLN A 63 3.633 6.483 1.928 1.00 0.00 C ATOM 1000 C GLN A 63 3.921 6.740 0.440 1.00 0.00 C ATOM 1001 O GLN A 63 5.009 6.424 -0.042 1.00 0.00 O ATOM 1002 CB GLN A 63 2.693 5.268 2.074 1.00 0.00 C ATOM 1003 CG GLN A 63 2.369 4.886 3.535 1.00 0.00 C ATOM 1004 CD GLN A 63 1.566 3.579 3.636 1.00 0.00 C ATOM 1005 OE1 GLN A 63 1.818 2.596 2.947 1.00 0.00 O ATOM 1006 NE2 GLN A 63 0.574 3.491 4.499 1.00 0.00 N ATOM 0 H GLN A 63 2.006 7.682 2.458 1.00 0.00 H new ATOM 0 HA GLN A 63 4.588 6.287 2.416 1.00 0.00 H new ATOM 0 HB2 GLN A 63 1.760 5.480 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.148 4.410 1.579 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.298 4.782 4.095 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.804 5.693 4.002 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.338 4.290 5.088 1.00 0.00 H new ATOM 0 HE22 GLN A 63 0.042 2.624 4.578 1.00 0.00 H new ATOM 1015 N GLY A 64 2.968 7.349 -0.283 1.00 0.00 N ATOM 1016 CA GLY A 64 3.048 7.544 -1.737 1.00 0.00 C ATOM 1017 C GLY A 64 4.134 8.544 -2.121 1.00 0.00 C ATOM 1018 O GLY A 64 4.958 8.253 -2.986 1.00 0.00 O ATOM 0 H GLY A 64 2.113 7.723 0.130 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.248 6.588 -2.220 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.085 7.894 -2.109 1.00 0.00 H new ATOM 1022 N LEU A 65 4.187 9.690 -1.431 1.00 0.00 N ATOM 1023 CA LEU A 65 5.273 10.668 -1.570 1.00 0.00 C ATOM 1024 C LEU A 65 6.639 10.060 -1.220 1.00 0.00 C ATOM 1025 O LEU A 65 7.612 10.294 -1.931 1.00 0.00 O ATOM 1026 CB LEU A 65 4.958 11.889 -0.690 1.00 0.00 C ATOM 1027 CG LEU A 65 6.062 12.972 -0.682 1.00 0.00 C ATOM 1028 CD1 LEU A 65 6.304 13.595 -2.064 1.00 0.00 C ATOM 1029 CD2 LEU A 65 5.672 14.068 0.311 1.00 0.00 C ATOM 0 H LEU A 65 3.473 9.966 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 65 5.337 10.980 -2.612 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.027 12.339 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.790 11.551 0.333 1.00 0.00 H new ATOM 0 HG LEU A 65 6.993 12.487 -0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.090 14.347 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.609 12.818 -2.765 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.385 14.063 -2.418 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.444 14.838 0.325 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.723 14.511 0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.571 13.637 1.307 1.00 0.00 H new ATOM 1041 N LYS A 66 6.719 9.257 -0.155 1.00 0.00 N ATOM 1042 CA LYS A 66 7.979 8.640 0.276 1.00 0.00 C ATOM 1043 C LYS A 66 8.531 7.667 -0.781 1.00 0.00 C ATOM 1044 O LYS A 66 9.734 7.687 -1.048 1.00 0.00 O ATOM 1045 CB LYS A 66 7.761 7.981 1.648 1.00 0.00 C ATOM 1046 CG LYS A 66 9.068 7.447 2.249 1.00 0.00 C ATOM 1047 CD LYS A 66 8.868 7.014 3.707 1.00 0.00 C ATOM 1048 CE LYS A 66 10.193 6.498 4.284 1.00 0.00 C ATOM 1049 NZ LYS A 66 10.079 6.175 5.733 1.00 0.00 N ATOM 0 H LYS A 66 5.919 9.017 0.430 1.00 0.00 H new ATOM 0 HA LYS A 66 8.747 9.406 0.381 1.00 0.00 H new ATOM 0 HB2 LYS A 66 7.319 8.706 2.331 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.049 7.162 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.424 6.601 1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.837 8.217 2.197 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.506 7.855 4.299 1.00 0.00 H new ATOM 0 HD3 LYS A 66 8.108 6.234 3.763 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.505 5.608 3.737 1.00 0.00 H new ATOM 0 HE3 LYS A 66 10.969 7.250 4.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 10.995 5.830 6.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.806 7.030 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.356 5.439 5.869 1.00 0.00 H new ATOM 1063 N GLU A 67 7.672 6.875 -1.431 1.00 0.00 N ATOM 1064 CA GLU A 67 8.082 6.022 -2.552 1.00 0.00 C ATOM 1065 C GLU A 67 8.387 6.836 -3.832 1.00 0.00 C ATOM 1066 O GLU A 67 9.309 6.486 -4.572 1.00 0.00 O ATOM 1067 CB GLU A 67 7.026 4.932 -2.791 1.00 0.00 C ATOM 1068 CG GLU A 67 7.557 3.835 -3.725 1.00 0.00 C ATOM 1069 CD GLU A 67 6.683 2.574 -3.688 1.00 0.00 C ATOM 1070 OE1 GLU A 67 6.718 1.832 -2.679 1.00 0.00 O ATOM 1071 OE2 GLU A 67 5.964 2.287 -4.675 1.00 0.00 O ATOM 0 H GLU A 67 6.681 6.807 -1.198 1.00 0.00 H new ATOM 0 HA GLU A 67 9.021 5.537 -2.285 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.734 4.491 -1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.131 5.379 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.599 4.217 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.577 3.578 -3.439 1.00 0.00 H new ATOM 1078 N TYR A 68 7.676 7.945 -4.077 1.00 0.00 N ATOM 1079 CA TYR A 68 7.928 8.854 -5.203 1.00 0.00 C ATOM 1080 C TYR A 68 9.296 9.566 -5.108 1.00 0.00 C ATOM 1081 O TYR A 68 10.036 9.592 -6.093 1.00 0.00 O ATOM 1082 CB TYR A 68 6.775 9.871 -5.289 1.00 0.00 C ATOM 1083 CG TYR A 68 6.868 10.879 -6.420 1.00 0.00 C ATOM 1084 CD1 TYR A 68 6.327 10.567 -7.684 1.00 0.00 C ATOM 1085 CD2 TYR A 68 7.450 12.144 -6.202 1.00 0.00 C ATOM 1086 CE1 TYR A 68 6.368 11.513 -8.726 1.00 0.00 C ATOM 1087 CE2 TYR A 68 7.488 13.094 -7.239 1.00 0.00 C ATOM 1088 CZ TYR A 68 6.952 12.782 -8.506 1.00 0.00 C ATOM 1089 OH TYR A 68 7.000 13.701 -9.511 1.00 0.00 O ATOM 0 H TYR A 68 6.897 8.240 -3.489 1.00 0.00 H new ATOM 0 HA TYR A 68 7.969 8.260 -6.116 1.00 0.00 H new ATOM 0 HB2 TYR A 68 5.839 9.323 -5.392 1.00 0.00 H new ATOM 0 HB3 TYR A 68 6.724 10.415 -4.346 1.00 0.00 H new ATOM 0 HD1 TYR A 68 5.879 9.599 -7.854 1.00 0.00 H new ATOM 0 HD2 TYR A 68 7.868 12.385 -5.236 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.954 11.270 -9.693 1.00 0.00 H new ATOM 0 HE2 TYR A 68 7.929 14.064 -7.065 1.00 0.00 H new ATOM 0 HH TYR A 68 7.434 14.518 -9.187 1.00 0.00 H new ATOM 1099 N SER A 69 9.653 10.133 -3.946 1.00 0.00 N ATOM 1100 CA SER A 69 10.909 10.884 -3.777 1.00 0.00 C ATOM 1101 C SER A 69 12.104 10.050 -3.283 1.00 0.00 C ATOM 1102 O SER A 69 13.244 10.423 -3.550 1.00 0.00 O ATOM 1103 CB SER A 69 10.695 12.085 -2.838 1.00 0.00 C ATOM 1104 OG SER A 69 10.536 11.715 -1.479 1.00 0.00 O ATOM 0 H SER A 69 9.084 10.085 -3.101 1.00 0.00 H new ATOM 0 HA SER A 69 11.173 11.218 -4.780 1.00 0.00 H new ATOM 0 HB2 SER A 69 11.545 12.761 -2.926 1.00 0.00 H new ATOM 0 HB3 SER A 69 9.813 12.638 -3.162 1.00 0.00 H new ATOM 0 HG SER A 69 10.638 12.507 -0.910 1.00 0.00 H new ATOM 1110 N SER A 70 11.864 8.945 -2.566 1.00 0.00 N ATOM 1111 CA SER A 70 12.868 8.056 -1.940 1.00 0.00 C ATOM 1112 C SER A 70 13.516 8.657 -0.667 1.00 0.00 C ATOM 1113 O SER A 70 14.237 7.968 0.061 1.00 0.00 O ATOM 1114 CB SER A 70 13.937 7.612 -2.961 1.00 0.00 C ATOM 1115 OG SER A 70 14.503 6.354 -2.619 1.00 0.00 O ATOM 0 H SER A 70 10.911 8.623 -2.394 1.00 0.00 H new ATOM 0 HA SER A 70 12.323 7.172 -1.608 1.00 0.00 H new ATOM 0 HB2 SER A 70 13.489 7.552 -3.953 1.00 0.00 H new ATOM 0 HB3 SER A 70 14.725 8.363 -3.012 1.00 0.00 H new ATOM 0 HG SER A 70 15.174 6.104 -3.288 1.00 0.00 H new ATOM 1121 N TRP A 71 13.249 9.933 -0.358 1.00 0.00 N ATOM 1122 CA TRP A 71 13.737 10.629 0.835 1.00 0.00 C ATOM 1123 C TRP A 71 13.141 10.018 2.132 1.00 0.00 C ATOM 1124 O TRP A 71 11.928 9.785 2.178 1.00 0.00 O ATOM 1125 CB TRP A 71 13.393 12.118 0.691 1.00 0.00 C ATOM 1126 CG TRP A 71 13.837 12.986 1.826 1.00 0.00 C ATOM 1127 CD1 TRP A 71 13.023 13.495 2.774 1.00 0.00 C ATOM 1128 CD2 TRP A 71 15.188 13.403 2.199 1.00 0.00 C ATOM 1129 NE1 TRP A 71 13.767 14.206 3.690 1.00 0.00 N ATOM 1130 CE2 TRP A 71 15.112 14.143 3.416 1.00 0.00 C ATOM 1131 CE3 TRP A 71 16.479 13.173 1.675 1.00 0.00 C ATOM 1132 CZ2 TRP A 71 16.247 14.602 4.096 1.00 0.00 C ATOM 1133 CZ3 TRP A 71 17.629 13.645 2.337 1.00 0.00 C ATOM 1134 CH2 TRP A 71 17.516 14.346 3.551 1.00 0.00 C ATOM 0 H TRP A 71 12.669 10.526 -0.952 1.00 0.00 H new ATOM 0 HA TRP A 71 14.818 10.513 0.919 1.00 0.00 H new ATOM 0 HB2 TRP A 71 13.843 12.491 -0.229 1.00 0.00 H new ATOM 0 HB3 TRP A 71 12.313 12.216 0.580 1.00 0.00 H new ATOM 0 HD1 TRP A 71 11.951 13.365 2.809 1.00 0.00 H new ATOM 0 HE1 TRP A 71 13.368 14.718 4.477 1.00 0.00 H new ATOM 0 HE3 TRP A 71 16.586 12.625 0.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 16.148 15.144 5.025 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 18.605 13.467 1.909 1.00 0.00 H new ATOM 0 HH2 TRP A 71 18.404 14.687 4.063 1.00 0.00 H new ATOM 1145 N PRO A 72 13.948 9.754 3.187 1.00 0.00 N ATOM 1146 CA PRO A 72 13.512 8.980 4.354 1.00 0.00 C ATOM 1147 C PRO A 72 12.579 9.725 5.322 1.00 0.00 C ATOM 1148 O PRO A 72 11.625 9.110 5.802 1.00 0.00 O ATOM 1149 CB PRO A 72 14.803 8.541 5.057 1.00 0.00 C ATOM 1150 CG PRO A 72 15.821 9.610 4.665 1.00 0.00 C ATOM 1151 CD PRO A 72 15.392 9.959 3.244 1.00 0.00 C ATOM 0 HA PRO A 72 12.900 8.144 4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 72 14.672 8.492 6.138 1.00 0.00 H new ATOM 0 HB3 PRO A 72 15.119 7.550 4.729 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.778 10.475 5.327 1.00 0.00 H new ATOM 0 HG3 PRO A 72 16.843 9.232 4.700 1.00 0.00 H new ATOM 0 HD2 PRO A 72 15.647 10.991 3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 72 15.903 9.327 2.518 1.00 0.00 H new ATOM 1159 N THR A 73 12.841 11.008 5.628 1.00 0.00 N ATOM 1160 CA THR A 73 12.150 11.753 6.699 1.00 0.00 C ATOM 1161 C THR A 73 11.931 13.216 6.322 1.00 0.00 C ATOM 1162 O THR A 73 12.871 14.011 6.327 1.00 0.00 O ATOM 1163 CB THR A 73 12.915 11.675 8.036 1.00 0.00 C ATOM 1164 OG1 THR A 73 14.245 12.100 7.844 1.00 0.00 O ATOM 1165 CG2 THR A 73 12.935 10.268 8.641 1.00 0.00 C ATOM 0 H THR A 73 13.543 11.562 5.137 1.00 0.00 H new ATOM 0 HA THR A 73 11.178 11.276 6.824 1.00 0.00 H new ATOM 0 HB THR A 73 12.386 12.325 8.734 1.00 0.00 H new ATOM 0 HG1 THR A 73 14.257 12.881 7.253 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.489 10.283 9.580 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.913 9.938 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.417 9.580 7.946 1.00 0.00 H new ATOM 1173 N PHE A 74 10.680 13.572 6.029 1.00 0.00 N ATOM 1174 CA PHE A 74 10.248 14.937 5.693 1.00 0.00 C ATOM 1175 C PHE A 74 10.480 15.937 6.859 1.00 0.00 C ATOM 1176 O PHE A 74 10.605 15.489 8.007 1.00 0.00 O ATOM 1177 CB PHE A 74 8.761 14.873 5.308 1.00 0.00 C ATOM 1178 CG PHE A 74 8.384 13.793 4.308 1.00 0.00 C ATOM 1179 CD1 PHE A 74 8.988 13.769 3.037 1.00 0.00 C ATOM 1180 CD2 PHE A 74 7.425 12.818 4.645 1.00 0.00 C ATOM 1181 CE1 PHE A 74 8.636 12.775 2.108 1.00 0.00 C ATOM 1182 CE2 PHE A 74 7.063 11.833 3.711 1.00 0.00 C ATOM 1183 CZ PHE A 74 7.672 11.809 2.445 1.00 0.00 C ATOM 0 H PHE A 74 9.912 12.900 6.017 1.00 0.00 H new ATOM 0 HA PHE A 74 10.846 15.309 4.861 1.00 0.00 H new ATOM 0 HB2 PHE A 74 8.176 14.722 6.215 1.00 0.00 H new ATOM 0 HB3 PHE A 74 8.469 15.840 4.898 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.723 14.516 2.775 1.00 0.00 H new ATOM 0 HD2 PHE A 74 6.967 12.828 5.623 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.106 12.753 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 74 6.317 11.095 3.966 1.00 0.00 H new ATOM 0 HZ PHE A 74 7.399 11.047 1.730 1.00 0.00 H new ATOM 1193 N PRO A 75 10.476 17.274 6.637 1.00 0.00 N ATOM 1194 CA PRO A 75 10.265 18.013 5.378 1.00 0.00 C ATOM 1195 C PRO A 75 11.336 17.791 4.300 1.00 0.00 C ATOM 1196 O PRO A 75 12.407 17.253 4.580 1.00 0.00 O ATOM 1197 CB PRO A 75 10.235 19.499 5.778 1.00 0.00 C ATOM 1198 CG PRO A 75 9.784 19.461 7.231 1.00 0.00 C ATOM 1199 CD PRO A 75 10.510 18.226 7.741 1.00 0.00 C ATOM 0 HA PRO A 75 9.345 17.654 4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 75 11.215 19.964 5.673 1.00 0.00 H new ATOM 0 HB3 PRO A 75 9.544 20.069 5.157 1.00 0.00 H new ATOM 0 HG2 PRO A 75 10.073 20.361 7.774 1.00 0.00 H new ATOM 0 HG3 PRO A 75 8.702 19.368 7.322 1.00 0.00 H new ATOM 0 HD2 PRO A 75 11.536 18.462 8.025 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.020 17.819 8.626 1.00 0.00 H new ATOM 1207 N GLN A 76 11.066 18.261 3.073 1.00 0.00 N ATOM 1208 CA GLN A 76 12.031 18.253 1.963 1.00 0.00 C ATOM 1209 C GLN A 76 11.715 19.281 0.863 1.00 0.00 C ATOM 1210 O GLN A 76 10.597 19.790 0.768 1.00 0.00 O ATOM 1211 CB GLN A 76 12.161 16.840 1.344 1.00 0.00 C ATOM 1212 CG GLN A 76 10.939 16.392 0.512 1.00 0.00 C ATOM 1213 CD GLN A 76 11.284 15.277 -0.469 1.00 0.00 C ATOM 1214 OE1 GLN A 76 10.839 14.142 -0.358 1.00 0.00 O ATOM 1215 NE2 GLN A 76 12.076 15.560 -1.484 1.00 0.00 N ATOM 0 H GLN A 76 10.162 18.661 2.821 1.00 0.00 H new ATOM 0 HA GLN A 76 12.984 18.546 2.404 1.00 0.00 H new ATOM 0 HB2 GLN A 76 13.046 16.815 0.709 1.00 0.00 H new ATOM 0 HB3 GLN A 76 12.323 16.119 2.145 1.00 0.00 H new ATOM 0 HG2 GLN A 76 10.151 16.051 1.183 1.00 0.00 H new ATOM 0 HG3 GLN A 76 10.543 17.246 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 76 12.454 16.502 -1.589 1.00 0.00 H new ATOM 0 HE22 GLN A 76 12.311 14.837 -2.165 1.00 0.00 H new ATOM 1224 N LEU A 77 12.697 19.508 -0.019 1.00 0.00 N ATOM 1225 CA LEU A 77 12.586 20.257 -1.270 1.00 0.00 C ATOM 1226 C LEU A 77 12.671 19.269 -2.451 1.00 0.00 C ATOM 1227 O LEU A 77 13.297 18.207 -2.365 1.00 0.00 O ATOM 1228 CB LEU A 77 13.673 21.363 -1.250 1.00 0.00 C ATOM 1229 CG LEU A 77 13.592 22.462 -2.340 1.00 0.00 C ATOM 1230 CD1 LEU A 77 14.283 23.732 -1.839 1.00 0.00 C ATOM 1231 CD2 LEU A 77 14.287 22.103 -3.664 1.00 0.00 C ATOM 0 H LEU A 77 13.641 19.153 0.133 1.00 0.00 H new ATOM 0 HA LEU A 77 11.628 20.763 -1.388 1.00 0.00 H new ATOM 0 HB2 LEU A 77 13.639 21.851 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 77 14.647 20.880 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 77 12.526 22.587 -2.529 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.226 24.504 -2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 77 13.788 24.083 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 77 15.329 23.515 -1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.180 22.929 -4.367 1.00 0.00 H new ATOM 0 HD22 LEU A 77 15.345 21.918 -3.481 1.00 0.00 H new ATOM 0 HD23 LEU A 77 13.829 21.207 -4.084 1.00 0.00 H new ATOM 1243 N TYR A 78 12.013 19.612 -3.554 1.00 0.00 N ATOM 1244 CA TYR A 78 11.953 18.867 -4.817 1.00 0.00 C ATOM 1245 C TYR A 78 11.969 19.851 -6.006 1.00 0.00 C ATOM 1246 O TYR A 78 11.374 20.930 -5.917 1.00 0.00 O ATOM 1247 CB TYR A 78 10.664 18.022 -4.794 1.00 0.00 C ATOM 1248 CG TYR A 78 10.670 16.758 -5.635 1.00 0.00 C ATOM 1249 CD1 TYR A 78 10.708 16.834 -7.040 1.00 0.00 C ATOM 1250 CD2 TYR A 78 10.617 15.496 -5.014 1.00 0.00 C ATOM 1251 CE1 TYR A 78 10.776 15.666 -7.821 1.00 0.00 C ATOM 1252 CE2 TYR A 78 10.645 14.323 -5.792 1.00 0.00 C ATOM 1253 CZ TYR A 78 10.752 14.402 -7.196 1.00 0.00 C ATOM 1254 OH TYR A 78 10.819 13.259 -7.933 1.00 0.00 O ATOM 0 H TYR A 78 11.470 20.474 -3.597 1.00 0.00 H new ATOM 0 HA TYR A 78 12.816 18.211 -4.933 1.00 0.00 H new ATOM 0 HB2 TYR A 78 10.456 17.744 -3.761 1.00 0.00 H new ATOM 0 HB3 TYR A 78 9.838 18.650 -5.127 1.00 0.00 H new ATOM 0 HD1 TYR A 78 10.685 17.799 -7.524 1.00 0.00 H new ATOM 0 HD2 TYR A 78 10.555 15.427 -3.938 1.00 0.00 H new ATOM 0 HE1 TYR A 78 10.846 15.737 -8.896 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.584 13.358 -5.311 1.00 0.00 H new ATOM 0 HH TYR A 78 9.931 12.847 -7.979 1.00 0.00 H new ATOM 1264 N ILE A 79 12.626 19.503 -7.118 1.00 0.00 N ATOM 1265 CA ILE A 79 12.710 20.306 -8.358 1.00 0.00 C ATOM 1266 C ILE A 79 12.344 19.472 -9.596 1.00 0.00 C ATOM 1267 O ILE A 79 12.125 18.269 -9.502 1.00 0.00 O ATOM 1268 CB ILE A 79 14.106 20.979 -8.495 1.00 0.00 C ATOM 1269 CG1 ILE A 79 15.295 20.044 -8.166 1.00 0.00 C ATOM 1270 CG2 ILE A 79 14.103 22.253 -7.636 1.00 0.00 C ATOM 1271 CD1 ILE A 79 16.667 20.686 -8.410 1.00 0.00 C ATOM 0 H ILE A 79 13.135 18.622 -7.189 1.00 0.00 H new ATOM 0 HA ILE A 79 11.972 21.105 -8.290 1.00 0.00 H new ATOM 0 HB ILE A 79 14.266 21.232 -9.543 1.00 0.00 H new ATOM 0 HG12 ILE A 79 15.227 19.737 -7.122 1.00 0.00 H new ATOM 0 HG13 ILE A 79 15.214 19.140 -8.770 1.00 0.00 H new ATOM 0 HG21 ILE A 79 15.072 22.746 -7.713 1.00 0.00 H new ATOM 0 HG22 ILE A 79 13.323 22.928 -7.989 1.00 0.00 H new ATOM 0 HG23 ILE A 79 13.912 21.990 -6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 79 17.452 19.973 -8.158 1.00 0.00 H new ATOM 0 HD12 ILE A 79 16.755 20.968 -9.459 1.00 0.00 H new ATOM 0 HD13 ILE A 79 16.769 21.574 -7.786 1.00 0.00 H new ATOM 1283 N ASP A 80 12.228 20.121 -10.756 1.00 0.00 N ATOM 1284 CA ASP A 80 11.706 19.525 -11.990 1.00 0.00 C ATOM 1285 C ASP A 80 12.406 18.195 -12.352 1.00 0.00 C ATOM 1286 O ASP A 80 13.546 18.173 -12.827 1.00 0.00 O ATOM 1287 CB ASP A 80 11.801 20.568 -13.115 1.00 0.00 C ATOM 1288 CG ASP A 80 10.956 20.175 -14.336 1.00 0.00 C ATOM 1289 OD1 ASP A 80 11.335 19.229 -15.068 1.00 0.00 O ATOM 1290 OD2 ASP A 80 9.910 20.831 -14.560 1.00 0.00 O ATOM 0 H ASP A 80 12.500 21.098 -10.867 1.00 0.00 H new ATOM 0 HA ASP A 80 10.661 19.255 -11.840 1.00 0.00 H new ATOM 0 HB2 ASP A 80 11.469 21.536 -12.741 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.842 20.683 -13.416 1.00 0.00 H new ATOM 1295 N GLY A 81 11.711 17.078 -12.088 1.00 0.00 N ATOM 1296 CA GLY A 81 12.173 15.716 -12.368 1.00 0.00 C ATOM 1297 C GLY A 81 13.152 15.112 -11.349 1.00 0.00 C ATOM 1298 O GLY A 81 13.659 14.022 -11.621 1.00 0.00 O ATOM 0 H GLY A 81 10.785 17.102 -11.661 1.00 0.00 H new ATOM 0 HA2 GLY A 81 11.301 15.065 -12.434 1.00 0.00 H new ATOM 0 HA3 GLY A 81 12.650 15.710 -13.348 1.00 0.00 H new ATOM 1302 N GLU A 82 13.440 15.760 -10.210 1.00 0.00 N ATOM 1303 CA GLU A 82 14.463 15.295 -9.256 1.00 0.00 C ATOM 1304 C GLU A 82 14.245 15.832 -7.828 1.00 0.00 C ATOM 1305 O GLU A 82 14.013 17.027 -7.621 1.00 0.00 O ATOM 1306 CB GLU A 82 15.860 15.688 -9.777 1.00 0.00 C ATOM 1307 CG GLU A 82 17.023 14.995 -9.064 1.00 0.00 C ATOM 1308 CD GLU A 82 17.053 13.484 -9.351 1.00 0.00 C ATOM 1309 OE1 GLU A 82 17.682 13.071 -10.355 1.00 0.00 O ATOM 1310 OE2 GLU A 82 16.462 12.701 -8.570 1.00 0.00 O ATOM 0 H GLU A 82 12.972 16.620 -9.923 1.00 0.00 H new ATOM 0 HA GLU A 82 14.380 14.210 -9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 82 15.915 15.458 -10.841 1.00 0.00 H new ATOM 0 HB3 GLU A 82 15.981 16.767 -9.677 1.00 0.00 H new ATOM 0 HG2 GLU A 82 17.964 15.444 -9.383 1.00 0.00 H new ATOM 0 HG3 GLU A 82 16.940 15.159 -7.990 1.00 0.00 H new ATOM 1317 N PHE A 83 14.367 14.969 -6.812 1.00 0.00 N ATOM 1318 CA PHE A 83 14.268 15.393 -5.416 1.00 0.00 C ATOM 1319 C PHE A 83 15.573 16.086 -4.963 1.00 0.00 C ATOM 1320 O PHE A 83 16.662 15.730 -5.422 1.00 0.00 O ATOM 1321 CB PHE A 83 13.879 14.197 -4.531 1.00 0.00 C ATOM 1322 CG PHE A 83 15.053 13.429 -3.968 1.00 0.00 C ATOM 1323 CD1 PHE A 83 15.695 12.449 -4.747 1.00 0.00 C ATOM 1324 CD2 PHE A 83 15.558 13.763 -2.696 1.00 0.00 C ATOM 1325 CE1 PHE A 83 16.850 11.815 -4.260 1.00 0.00 C ATOM 1326 CE2 PHE A 83 16.718 13.140 -2.219 1.00 0.00 C ATOM 1327 CZ PHE A 83 17.366 12.168 -3.002 1.00 0.00 C ATOM 0 H PHE A 83 14.535 13.970 -6.935 1.00 0.00 H new ATOM 0 HA PHE A 83 13.477 16.136 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 83 13.266 14.556 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 83 13.260 13.515 -5.114 1.00 0.00 H new ATOM 0 HD1 PHE A 83 15.301 12.185 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 83 15.051 14.499 -2.089 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.341 11.057 -4.852 1.00 0.00 H new ATOM 0 HE2 PHE A 83 17.115 13.406 -1.250 1.00 0.00 H new ATOM 0 HZ PHE A 83 18.263 11.691 -2.635 1.00 0.00 H new ATOM 1337 N PHE A 84 15.475 17.055 -4.045 1.00 0.00 N ATOM 1338 CA PHE A 84 16.646 17.776 -3.530 1.00 0.00 C ATOM 1339 C PHE A 84 17.116 17.241 -2.167 1.00 0.00 C ATOM 1340 O PHE A 84 18.313 17.016 -1.974 1.00 0.00 O ATOM 1341 CB PHE A 84 16.321 19.270 -3.467 1.00 0.00 C ATOM 1342 CG PHE A 84 17.557 20.130 -3.323 1.00 0.00 C ATOM 1343 CD1 PHE A 84 18.102 20.392 -2.050 1.00 0.00 C ATOM 1344 CD2 PHE A 84 18.197 20.627 -4.474 1.00 0.00 C ATOM 1345 CE1 PHE A 84 19.300 21.121 -1.935 1.00 0.00 C ATOM 1346 CE2 PHE A 84 19.383 21.370 -4.355 1.00 0.00 C ATOM 1347 CZ PHE A 84 19.938 21.613 -3.089 1.00 0.00 C ATOM 0 H PHE A 84 14.590 17.360 -3.641 1.00 0.00 H new ATOM 0 HA PHE A 84 17.480 17.613 -4.213 1.00 0.00 H new ATOM 0 HB2 PHE A 84 15.785 19.560 -4.371 1.00 0.00 H new ATOM 0 HB3 PHE A 84 15.653 19.457 -2.626 1.00 0.00 H new ATOM 0 HD1 PHE A 84 17.600 20.033 -1.163 1.00 0.00 H new ATOM 0 HD2 PHE A 84 17.776 20.437 -5.450 1.00 0.00 H new ATOM 0 HE1 PHE A 84 19.730 21.303 -0.961 1.00 0.00 H new ATOM 0 HE2 PHE A 84 19.869 21.755 -5.239 1.00 0.00 H new ATOM 0 HZ PHE A 84 20.854 22.177 -3.000 1.00 0.00 H new ATOM 1357 N GLY A 85 16.175 17.020 -1.238 1.00 0.00 N ATOM 1358 CA GLY A 85 16.437 16.548 0.131 1.00 0.00 C ATOM 1359 C GLY A 85 15.984 17.542 1.200 1.00 0.00 C ATOM 1360 O GLY A 85 15.150 18.409 0.935 1.00 0.00 O ATOM 0 H GLY A 85 15.183 17.168 -1.422 1.00 0.00 H new ATOM 0 HA2 GLY A 85 15.926 15.598 0.286 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.504 16.359 0.247 1.00 0.00 H new ATOM 1364 N GLY A 86 16.498 17.394 2.424 1.00 0.00 N ATOM 1365 CA GLY A 86 16.019 18.115 3.615 1.00 0.00 C ATOM 1366 C GLY A 86 16.293 19.621 3.617 1.00 0.00 C ATOM 1367 O GLY A 86 17.122 20.135 2.863 1.00 0.00 O ATOM 0 H GLY A 86 17.272 16.760 2.623 1.00 0.00 H new ATOM 0 HA2 GLY A 86 14.945 17.957 3.708 1.00 0.00 H new ATOM 0 HA3 GLY A 86 16.484 17.676 4.498 1.00 0.00 H new ATOM 1371 N CYS A 87 15.612 20.339 4.515 1.00 0.00 N ATOM 1372 CA CYS A 87 15.738 21.796 4.646 1.00 0.00 C ATOM 1373 C CYS A 87 17.133 22.219 5.145 1.00 0.00 C ATOM 1374 O CYS A 87 17.714 23.163 4.618 1.00 0.00 O ATOM 1375 CB CYS A 87 14.600 22.308 5.547 1.00 0.00 C ATOM 1376 SG CYS A 87 13.016 22.065 4.686 1.00 0.00 S ATOM 0 H CYS A 87 14.954 19.925 5.175 1.00 0.00 H new ATOM 0 HA CYS A 87 15.642 22.258 3.663 1.00 0.00 H new ATOM 0 HB2 CYS A 87 14.600 21.772 6.496 1.00 0.00 H new ATOM 0 HB3 CYS A 87 14.746 23.363 5.777 1.00 0.00 H new ATOM 0 HG CYS A 87 12.530 23.219 4.337 1.00 0.00 H new ATOM 1382 N ASP A 88 17.720 21.471 6.080 1.00 0.00 N ATOM 1383 CA ASP A 88 19.105 21.689 6.528 1.00 0.00 C ATOM 1384 C ASP A 88 20.102 21.545 5.364 1.00 0.00 C ATOM 1385 O ASP A 88 20.926 22.431 5.145 1.00 0.00 O ATOM 1386 CB ASP A 88 19.435 20.711 7.663 1.00 0.00 C ATOM 1387 CG ASP A 88 20.888 20.856 8.145 1.00 0.00 C ATOM 1388 OD1 ASP A 88 21.206 21.868 8.814 1.00 0.00 O ATOM 1389 OD2 ASP A 88 21.705 19.948 7.859 1.00 0.00 O ATOM 0 H ASP A 88 17.253 20.696 6.551 1.00 0.00 H new ATOM 0 HA ASP A 88 19.196 22.709 6.900 1.00 0.00 H new ATOM 0 HB2 ASP A 88 18.757 20.884 8.499 1.00 0.00 H new ATOM 0 HB3 ASP A 88 19.267 19.690 7.322 1.00 0.00 H new ATOM 1394 N ILE A 89 19.956 20.492 4.546 1.00 0.00 N ATOM 1395 CA ILE A 89 20.757 20.304 3.318 1.00 0.00 C ATOM 1396 C ILE A 89 20.554 21.486 2.363 1.00 0.00 C ATOM 1397 O ILE A 89 21.528 21.986 1.805 1.00 0.00 O ATOM 1398 CB ILE A 89 20.436 18.943 2.643 1.00 0.00 C ATOM 1399 CG1 ILE A 89 20.829 17.784 3.591 1.00 0.00 C ATOM 1400 CG2 ILE A 89 21.159 18.807 1.285 1.00 0.00 C ATOM 1401 CD1 ILE A 89 20.541 16.384 3.037 1.00 0.00 C ATOM 0 H ILE A 89 19.281 19.745 4.713 1.00 0.00 H new ATOM 0 HA ILE A 89 21.812 20.278 3.590 1.00 0.00 H new ATOM 0 HB ILE A 89 19.364 18.897 2.449 1.00 0.00 H new ATOM 0 HG12 ILE A 89 21.893 17.860 3.816 1.00 0.00 H new ATOM 0 HG13 ILE A 89 20.295 17.905 4.533 1.00 0.00 H new ATOM 0 HG21 ILE A 89 20.914 17.844 0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 89 20.838 19.608 0.620 1.00 0.00 H new ATOM 0 HG23 ILE A 89 22.236 18.873 1.438 1.00 0.00 H new ATOM 0 HD11 ILE A 89 20.847 15.634 3.766 1.00 0.00 H new ATOM 0 HD12 ILE A 89 19.474 16.283 2.839 1.00 0.00 H new ATOM 0 HD13 ILE A 89 21.097 16.238 2.111 1.00 0.00 H new ATOM 1413 N THR A 90 19.318 21.987 2.232 1.00 0.00 N ATOM 1414 CA THR A 90 18.971 23.161 1.410 1.00 0.00 C ATOM 1415 C THR A 90 19.660 24.429 1.918 1.00 0.00 C ATOM 1416 O THR A 90 20.227 25.158 1.108 1.00 0.00 O ATOM 1417 CB THR A 90 17.450 23.334 1.334 1.00 0.00 C ATOM 1418 OG1 THR A 90 16.864 22.158 0.817 1.00 0.00 O ATOM 1419 CG2 THR A 90 17.060 24.483 0.406 1.00 0.00 C ATOM 0 H THR A 90 18.511 21.580 2.704 1.00 0.00 H new ATOM 0 HA THR A 90 19.340 22.986 0.399 1.00 0.00 H new ATOM 0 HB THR A 90 17.098 23.546 2.344 1.00 0.00 H new ATOM 0 HG1 THR A 90 16.931 21.440 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 90 15.974 24.575 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 90 17.493 25.412 0.776 1.00 0.00 H new ATOM 0 HG23 THR A 90 17.434 24.283 -0.598 1.00 0.00 H new ATOM 1427 N VAL A 91 19.677 24.673 3.233 1.00 0.00 N ATOM 1428 CA VAL A 91 20.413 25.803 3.837 1.00 0.00 C ATOM 1429 C VAL A 91 21.921 25.701 3.548 1.00 0.00 C ATOM 1430 O VAL A 91 22.522 26.692 3.132 1.00 0.00 O ATOM 1431 CB VAL A 91 20.155 25.919 5.361 1.00 0.00 C ATOM 1432 CG1 VAL A 91 21.065 26.961 6.039 1.00 0.00 C ATOM 1433 CG2 VAL A 91 18.694 26.319 5.643 1.00 0.00 C ATOM 0 H VAL A 91 19.183 24.096 3.914 1.00 0.00 H new ATOM 0 HA VAL A 91 20.034 26.713 3.372 1.00 0.00 H new ATOM 0 HB VAL A 91 20.374 24.934 5.773 1.00 0.00 H new ATOM 0 HG11 VAL A 91 20.841 27.001 7.105 1.00 0.00 H new ATOM 0 HG12 VAL A 91 22.109 26.680 5.897 1.00 0.00 H new ATOM 0 HG13 VAL A 91 20.890 27.941 5.595 1.00 0.00 H new ATOM 0 HG21 VAL A 91 18.538 26.394 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 91 18.484 27.282 5.178 1.00 0.00 H new ATOM 0 HG23 VAL A 91 18.024 25.564 5.231 1.00 0.00 H new ATOM 1443 N GLU A 92 22.531 24.520 3.727 1.00 0.00 N ATOM 1444 CA GLU A 92 23.963 24.315 3.469 1.00 0.00 C ATOM 1445 C GLU A 92 24.307 24.419 1.970 1.00 0.00 C ATOM 1446 O GLU A 92 25.345 24.985 1.614 1.00 0.00 O ATOM 1447 CB GLU A 92 24.423 22.953 4.023 1.00 0.00 C ATOM 1448 CG GLU A 92 24.342 22.823 5.551 1.00 0.00 C ATOM 1449 CD GLU A 92 25.213 23.850 6.284 1.00 0.00 C ATOM 1450 OE1 GLU A 92 26.459 23.701 6.305 1.00 0.00 O ATOM 1451 OE2 GLU A 92 24.662 24.824 6.848 1.00 0.00 O ATOM 0 H GLU A 92 22.047 23.683 4.053 1.00 0.00 H new ATOM 0 HA GLU A 92 24.497 25.113 3.985 1.00 0.00 H new ATOM 0 HB2 GLU A 92 23.815 22.168 3.572 1.00 0.00 H new ATOM 0 HB3 GLU A 92 25.453 22.778 3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 92 23.305 22.942 5.866 1.00 0.00 H new ATOM 0 HG3 GLU A 92 24.650 21.819 5.842 1.00 0.00 H new ATOM 1458 N ALA A 93 23.434 23.936 1.080 1.00 0.00 N ATOM 1459 CA ALA A 93 23.594 24.038 -0.367 1.00 0.00 C ATOM 1460 C ALA A 93 23.522 25.489 -0.857 1.00 0.00 C ATOM 1461 O ALA A 93 24.326 25.882 -1.700 1.00 0.00 O ATOM 1462 CB ALA A 93 22.518 23.167 -1.027 1.00 0.00 C ATOM 0 H ALA A 93 22.579 23.453 1.356 1.00 0.00 H new ATOM 0 HA ALA A 93 24.586 23.682 -0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 93 22.616 23.226 -2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 93 22.641 22.132 -0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 93 21.531 23.523 -0.732 1.00 0.00 H new ATOM 1468 N TYR A 94 22.611 26.305 -0.318 1.00 0.00 N ATOM 1469 CA TYR A 94 22.525 27.741 -0.619 1.00 0.00 C ATOM 1470 C TYR A 94 23.760 28.518 -0.138 1.00 0.00 C ATOM 1471 O TYR A 94 24.279 29.377 -0.850 1.00 0.00 O ATOM 1472 CB TYR A 94 21.250 28.306 0.011 1.00 0.00 C ATOM 1473 CG TYR A 94 20.999 29.766 -0.319 1.00 0.00 C ATOM 1474 CD1 TYR A 94 20.636 30.138 -1.627 1.00 0.00 C ATOM 1475 CD2 TYR A 94 21.104 30.749 0.684 1.00 0.00 C ATOM 1476 CE1 TYR A 94 20.353 31.483 -1.933 1.00 0.00 C ATOM 1477 CE2 TYR A 94 20.825 32.097 0.387 1.00 0.00 C ATOM 1478 CZ TYR A 94 20.439 32.467 -0.921 1.00 0.00 C ATOM 1479 OH TYR A 94 20.150 33.769 -1.201 1.00 0.00 O ATOM 0 H TYR A 94 21.905 25.986 0.346 1.00 0.00 H new ATOM 0 HA TYR A 94 22.491 27.860 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 94 20.398 27.716 -0.325 1.00 0.00 H new ATOM 0 HB3 TYR A 94 21.310 28.193 1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 94 20.574 29.387 -2.401 1.00 0.00 H new ATOM 0 HD2 TYR A 94 21.399 30.468 1.684 1.00 0.00 H new ATOM 0 HE1 TYR A 94 20.071 31.762 -2.937 1.00 0.00 H new ATOM 0 HE2 TYR A 94 20.906 32.848 1.159 1.00 0.00 H new ATOM 0 HH TYR A 94 20.259 34.310 -0.391 1.00 0.00 H new ATOM 1489 N LYS A 95 24.291 28.163 1.038 1.00 0.00 N ATOM 1490 CA LYS A 95 25.558 28.691 1.559 1.00 0.00 C ATOM 1491 C LYS A 95 26.761 28.260 0.688 1.00 0.00 C ATOM 1492 O LYS A 95 27.733 29.004 0.549 1.00 0.00 O ATOM 1493 CB LYS A 95 25.678 28.220 3.019 1.00 0.00 C ATOM 1494 CG LYS A 95 26.891 28.812 3.757 1.00 0.00 C ATOM 1495 CD LYS A 95 26.954 28.371 5.229 1.00 0.00 C ATOM 1496 CE LYS A 95 27.124 26.848 5.346 1.00 0.00 C ATOM 1497 NZ LYS A 95 27.272 26.398 6.753 1.00 0.00 N ATOM 0 H LYS A 95 23.846 27.491 1.664 1.00 0.00 H new ATOM 0 HA LYS A 95 25.566 29.780 1.524 1.00 0.00 H new ATOM 0 HB2 LYS A 95 24.769 28.491 3.556 1.00 0.00 H new ATOM 0 HB3 LYS A 95 25.747 27.132 3.037 1.00 0.00 H new ATOM 0 HG2 LYS A 95 27.806 28.507 3.250 1.00 0.00 H new ATOM 0 HG3 LYS A 95 26.847 29.900 3.708 1.00 0.00 H new ATOM 0 HD2 LYS A 95 27.785 28.872 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 95 26.043 28.678 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 95 26.261 26.354 4.899 1.00 0.00 H new ATOM 0 HE3 LYS A 95 28.000 26.539 4.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 27.146 25.367 6.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 28.220 26.648 7.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 26.554 26.863 7.344 1.00 0.00 H new ATOM 1511 N SER A 96 26.688 27.078 0.070 1.00 0.00 N ATOM 1512 CA SER A 96 27.744 26.511 -0.787 1.00 0.00 C ATOM 1513 C SER A 96 27.648 26.923 -2.273 1.00 0.00 C ATOM 1514 O SER A 96 28.592 26.688 -3.032 1.00 0.00 O ATOM 1515 CB SER A 96 27.702 24.976 -0.677 1.00 0.00 C ATOM 1516 OG SER A 96 27.810 24.539 0.674 1.00 0.00 O ATOM 0 H SER A 96 25.873 26.470 0.151 1.00 0.00 H new ATOM 0 HA SER A 96 28.689 26.916 -0.425 1.00 0.00 H new ATOM 0 HB2 SER A 96 26.770 24.606 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 96 28.514 24.547 -1.264 1.00 0.00 H new ATOM 0 HG SER A 96 27.000 24.790 1.165 1.00 0.00 H new ATOM 1522 N GLY A 97 26.527 27.520 -2.710 1.00 0.00 N ATOM 1523 CA GLY A 97 26.269 27.922 -4.107 1.00 0.00 C ATOM 1524 C GLY A 97 25.550 26.854 -4.949 1.00 0.00 C ATOM 1525 O GLY A 97 25.238 27.082 -6.119 1.00 0.00 O ATOM 0 H GLY A 97 25.752 27.744 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 97 25.669 28.832 -4.106 1.00 0.00 H new ATOM 0 HA3 GLY A 97 27.218 28.166 -4.584 1.00 0.00 H new ATOM 1529 N GLU A 98 25.287 25.685 -4.366 1.00 0.00 N ATOM 1530 CA GLU A 98 24.764 24.504 -5.053 1.00 0.00 C ATOM 1531 C GLU A 98 23.252 24.611 -5.294 1.00 0.00 C ATOM 1532 O GLU A 98 22.774 24.214 -6.358 1.00 0.00 O ATOM 1533 CB GLU A 98 25.092 23.236 -4.248 1.00 0.00 C ATOM 1534 CG GLU A 98 26.597 23.046 -4.021 1.00 0.00 C ATOM 1535 CD GLU A 98 26.886 21.684 -3.378 1.00 0.00 C ATOM 1536 OE1 GLU A 98 26.829 21.571 -2.132 1.00 0.00 O ATOM 1537 OE2 GLU A 98 27.195 20.719 -4.117 1.00 0.00 O ATOM 0 H GLU A 98 25.437 25.529 -3.369 1.00 0.00 H new ATOM 0 HA GLU A 98 25.247 24.443 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 98 24.587 23.284 -3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 98 24.696 22.366 -4.772 1.00 0.00 H new ATOM 0 HG2 GLU A 98 27.125 23.123 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 98 26.976 23.843 -3.381 1.00 0.00 H new ATOM 1544 N LEU A 99 22.495 25.204 -4.359 1.00 0.00 N ATOM 1545 CA LEU A 99 21.060 25.440 -4.559 1.00 0.00 C ATOM 1546 C LEU A 99 20.835 26.426 -5.709 1.00 0.00 C ATOM 1547 O LEU A 99 19.973 26.187 -6.546 1.00 0.00 O ATOM 1548 CB LEU A 99 20.405 25.932 -3.254 1.00 0.00 C ATOM 1549 CG LEU A 99 18.864 26.058 -3.345 1.00 0.00 C ATOM 1550 CD1 LEU A 99 18.168 24.695 -3.493 1.00 0.00 C ATOM 1551 CD2 LEU A 99 18.334 26.771 -2.100 1.00 0.00 C ATOM 0 H LEU A 99 22.852 25.528 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 99 20.584 24.498 -4.832 1.00 0.00 H new ATOM 0 HB2 LEU A 99 20.658 25.244 -2.448 1.00 0.00 H new ATOM 0 HB3 LEU A 99 20.826 26.902 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 99 18.638 26.637 -4.241 1.00 0.00 H new ATOM 0 HD11 LEU A 99 17.090 24.842 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 99 18.518 24.204 -4.401 1.00 0.00 H new ATOM 0 HD13 LEU A 99 18.402 24.071 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 99 17.250 26.859 -2.165 1.00 0.00 H new ATOM 0 HD22 LEU A 99 18.599 26.197 -1.212 1.00 0.00 H new ATOM 0 HD23 LEU A 99 18.776 27.765 -2.035 1.00 0.00 H new ATOM 1563 N GLN A 100 21.633 27.496 -5.789 1.00 0.00 N ATOM 1564 CA GLN A 100 21.587 28.481 -6.872 1.00 0.00 C ATOM 1565 C GLN A 100 21.775 27.786 -8.228 1.00 0.00 C ATOM 1566 O GLN A 100 20.945 27.961 -9.119 1.00 0.00 O ATOM 1567 CB GLN A 100 22.669 29.570 -6.681 1.00 0.00 C ATOM 1568 CG GLN A 100 22.512 30.489 -5.449 1.00 0.00 C ATOM 1569 CD GLN A 100 23.100 29.945 -4.142 1.00 0.00 C ATOM 1570 OE1 GLN A 100 23.114 28.752 -3.874 1.00 0.00 O ATOM 1571 NE2 GLN A 100 23.613 30.784 -3.273 1.00 0.00 N ATOM 0 H GLN A 100 22.343 27.705 -5.087 1.00 0.00 H new ATOM 0 HA GLN A 100 20.610 28.963 -6.849 1.00 0.00 H new ATOM 0 HB2 GLN A 100 23.640 29.079 -6.619 1.00 0.00 H new ATOM 0 HB3 GLN A 100 22.685 30.196 -7.573 1.00 0.00 H new ATOM 0 HG2 GLN A 100 22.984 31.446 -5.669 1.00 0.00 H new ATOM 0 HG3 GLN A 100 21.451 30.685 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 100 23.615 31.785 -3.470 1.00 0.00 H new ATOM 0 HE22 GLN A 100 24.010 30.435 -2.400 1.00 0.00 H new ATOM 1580 N GLU A 101 22.801 26.932 -8.353 1.00 0.00 N ATOM 1581 CA GLU A 101 23.071 26.170 -9.577 1.00 0.00 C ATOM 1582 C GLU A 101 21.920 25.207 -9.925 1.00 0.00 C ATOM 1583 O GLU A 101 21.476 25.166 -11.072 1.00 0.00 O ATOM 1584 CB GLU A 101 24.411 25.430 -9.431 1.00 0.00 C ATOM 1585 CG GLU A 101 24.847 24.745 -10.733 1.00 0.00 C ATOM 1586 CD GLU A 101 26.258 24.153 -10.596 1.00 0.00 C ATOM 1587 OE1 GLU A 101 26.391 22.983 -10.164 1.00 0.00 O ATOM 1588 OE2 GLU A 101 27.246 24.851 -10.933 1.00 0.00 O ATOM 0 H GLU A 101 23.469 26.751 -7.604 1.00 0.00 H new ATOM 0 HA GLU A 101 23.142 26.867 -10.412 1.00 0.00 H new ATOM 0 HB2 GLU A 101 25.181 26.136 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 101 24.326 24.683 -8.642 1.00 0.00 H new ATOM 0 HG2 GLU A 101 24.140 23.955 -10.987 1.00 0.00 H new ATOM 0 HG3 GLU A 101 24.828 25.465 -11.551 1.00 0.00 H new ATOM 1595 N GLN A 102 21.411 24.440 -8.952 1.00 0.00 N ATOM 1596 CA GLN A 102 20.331 23.474 -9.173 1.00 0.00 C ATOM 1597 C GLN A 102 18.963 24.132 -9.426 1.00 0.00 C ATOM 1598 O GLN A 102 18.197 23.628 -10.242 1.00 0.00 O ATOM 1599 CB GLN A 102 20.261 22.507 -7.980 1.00 0.00 C ATOM 1600 CG GLN A 102 21.450 21.528 -7.919 1.00 0.00 C ATOM 1601 CD GLN A 102 21.438 20.517 -9.067 1.00 0.00 C ATOM 1602 OE1 GLN A 102 22.049 20.717 -10.111 1.00 0.00 O ATOM 1603 NE2 GLN A 102 20.725 19.414 -8.941 1.00 0.00 N ATOM 0 H GLN A 102 21.739 24.473 -7.987 1.00 0.00 H new ATOM 0 HA GLN A 102 20.567 22.926 -10.085 1.00 0.00 H new ATOM 0 HB2 GLN A 102 20.226 23.083 -7.055 1.00 0.00 H new ATOM 0 HB3 GLN A 102 19.333 21.938 -8.036 1.00 0.00 H new ATOM 0 HG2 GLN A 102 22.382 22.092 -7.946 1.00 0.00 H new ATOM 0 HG3 GLN A 102 21.428 20.994 -6.969 1.00 0.00 H new ATOM 0 HE21 GLN A 102 20.212 19.234 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 102 20.687 18.741 -9.706 1.00 0.00 H new ATOM 1612 N VAL A 103 18.635 25.247 -8.766 1.00 0.00 N ATOM 1613 CA VAL A 103 17.402 26.011 -9.029 1.00 0.00 C ATOM 1614 C VAL A 103 17.472 26.708 -10.393 1.00 0.00 C ATOM 1615 O VAL A 103 16.472 26.716 -11.108 1.00 0.00 O ATOM 1616 CB VAL A 103 17.093 27.009 -7.892 1.00 0.00 C ATOM 1617 CG1 VAL A 103 15.922 27.954 -8.215 1.00 0.00 C ATOM 1618 CG2 VAL A 103 16.729 26.223 -6.617 1.00 0.00 C ATOM 0 H VAL A 103 19.216 25.650 -8.031 1.00 0.00 H new ATOM 0 HA VAL A 103 16.574 25.303 -9.060 1.00 0.00 H new ATOM 0 HB VAL A 103 17.987 27.618 -7.758 1.00 0.00 H new ATOM 0 HG11 VAL A 103 15.757 28.629 -7.375 1.00 0.00 H new ATOM 0 HG12 VAL A 103 16.158 28.535 -9.107 1.00 0.00 H new ATOM 0 HG13 VAL A 103 15.020 27.368 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 103 16.509 26.921 -5.809 1.00 0.00 H new ATOM 0 HG22 VAL A 103 15.853 25.603 -6.809 1.00 0.00 H new ATOM 0 HG23 VAL A 103 17.567 25.588 -6.330 1.00 0.00 H new ATOM 1628 N GLU A 104 18.636 27.229 -10.802 1.00 0.00 N ATOM 1629 CA GLU A 104 18.841 27.710 -12.173 1.00 0.00 C ATOM 1630 C GLU A 104 18.629 26.564 -13.183 1.00 0.00 C ATOM 1631 O GLU A 104 17.890 26.721 -14.156 1.00 0.00 O ATOM 1632 CB GLU A 104 20.243 28.327 -12.308 1.00 0.00 C ATOM 1633 CG GLU A 104 20.473 29.055 -13.639 1.00 0.00 C ATOM 1634 CD GLU A 104 19.690 30.375 -13.719 1.00 0.00 C ATOM 1635 OE1 GLU A 104 20.146 31.388 -13.132 1.00 0.00 O ATOM 1636 OE2 GLU A 104 18.627 30.419 -14.383 1.00 0.00 O ATOM 0 H GLU A 104 19.453 27.328 -10.199 1.00 0.00 H new ATOM 0 HA GLU A 104 18.107 28.485 -12.395 1.00 0.00 H new ATOM 0 HB2 GLU A 104 20.402 29.028 -11.489 1.00 0.00 H new ATOM 0 HB3 GLU A 104 20.988 27.539 -12.202 1.00 0.00 H new ATOM 0 HG2 GLU A 104 21.537 29.257 -13.762 1.00 0.00 H new ATOM 0 HG3 GLU A 104 20.175 28.406 -14.463 1.00 0.00 H new ATOM 1643 N LYS A 105 19.184 25.374 -12.913 1.00 0.00 N ATOM 1644 CA LYS A 105 18.933 24.173 -13.720 1.00 0.00 C ATOM 1645 C LYS A 105 17.442 23.792 -13.748 1.00 0.00 C ATOM 1646 O LYS A 105 16.939 23.446 -14.815 1.00 0.00 O ATOM 1647 CB LYS A 105 19.833 23.022 -13.222 1.00 0.00 C ATOM 1648 CG LYS A 105 19.642 21.685 -13.963 1.00 0.00 C ATOM 1649 CD LYS A 105 19.964 21.782 -15.462 1.00 0.00 C ATOM 1650 CE LYS A 105 19.869 20.424 -16.185 1.00 0.00 C ATOM 1651 NZ LYS A 105 18.472 19.911 -16.284 1.00 0.00 N ATOM 0 H LYS A 105 19.819 25.218 -12.130 1.00 0.00 H new ATOM 0 HA LYS A 105 19.194 24.386 -14.757 1.00 0.00 H new ATOM 0 HB2 LYS A 105 20.875 23.328 -13.316 1.00 0.00 H new ATOM 0 HB3 LYS A 105 19.642 22.863 -12.161 1.00 0.00 H new ATOM 0 HG2 LYS A 105 20.281 20.928 -13.507 1.00 0.00 H new ATOM 0 HG3 LYS A 105 18.612 21.350 -13.838 1.00 0.00 H new ATOM 0 HD2 LYS A 105 19.277 22.486 -15.931 1.00 0.00 H new ATOM 0 HD3 LYS A 105 20.969 22.185 -15.587 1.00 0.00 H new ATOM 0 HE2 LYS A 105 20.285 20.523 -17.187 1.00 0.00 H new ATOM 0 HE3 LYS A 105 20.481 19.694 -15.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 18.482 18.952 -16.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 18.044 19.884 -15.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 17.914 20.539 -16.898 1.00 0.00 H new ATOM 1665 N ALA A 106 16.707 23.901 -12.637 1.00 0.00 N ATOM 1666 CA ALA A 106 15.259 23.673 -12.590 1.00 0.00 C ATOM 1667 C ALA A 106 14.487 24.666 -13.484 1.00 0.00 C ATOM 1668 O ALA A 106 13.627 24.252 -14.257 1.00 0.00 O ATOM 1669 CB ALA A 106 14.793 23.732 -11.128 1.00 0.00 C ATOM 0 H ALA A 106 17.106 24.153 -11.733 1.00 0.00 H new ATOM 0 HA ALA A 106 15.042 22.684 -12.993 1.00 0.00 H new ATOM 0 HB1 ALA A 106 13.717 23.564 -11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 106 15.306 22.962 -10.551 1.00 0.00 H new ATOM 0 HB3 ALA A 106 15.025 24.712 -10.711 1.00 0.00 H new ATOM 1675 N MET A 107 14.837 25.958 -13.432 1.00 0.00 N ATOM 1676 CA MET A 107 14.252 27.010 -14.280 1.00 0.00 C ATOM 1677 C MET A 107 14.540 26.785 -15.773 1.00 0.00 C ATOM 1678 O MET A 107 13.653 26.998 -16.601 1.00 0.00 O ATOM 1679 CB MET A 107 14.771 28.389 -13.838 1.00 0.00 C ATOM 1680 CG MET A 107 14.237 28.811 -12.463 1.00 0.00 C ATOM 1681 SD MET A 107 12.462 29.181 -12.416 1.00 0.00 S ATOM 1682 CE MET A 107 12.303 29.499 -10.640 1.00 0.00 C ATOM 0 H MET A 107 15.547 26.309 -12.789 1.00 0.00 H new ATOM 0 HA MET A 107 13.170 26.968 -14.153 1.00 0.00 H new ATOM 0 HB2 MET A 107 15.860 28.370 -13.810 1.00 0.00 H new ATOM 0 HB3 MET A 107 14.484 29.135 -14.579 1.00 0.00 H new ATOM 0 HG2 MET A 107 14.447 28.016 -11.748 1.00 0.00 H new ATOM 0 HG3 MET A 107 14.786 29.692 -12.130 1.00 0.00 H new ATOM 0 HE1 MET A 107 11.268 29.748 -10.406 1.00 0.00 H new ATOM 0 HE2 MET A 107 12.597 28.609 -10.083 1.00 0.00 H new ATOM 0 HE3 MET A 107 12.948 30.332 -10.360 1.00 0.00 H new ATOM 1692 N CYS A 108 15.742 26.307 -16.123 1.00 0.00 N ATOM 1693 CA CYS A 108 16.089 25.871 -17.483 1.00 0.00 C ATOM 1694 C CYS A 108 15.321 24.598 -17.917 1.00 0.00 C ATOM 1695 O CYS A 108 14.941 24.484 -19.086 1.00 0.00 O ATOM 1696 CB CYS A 108 17.606 25.645 -17.569 1.00 0.00 C ATOM 1697 SG CYS A 108 18.517 27.179 -17.223 1.00 0.00 S ATOM 0 H CYS A 108 16.511 26.211 -15.460 1.00 0.00 H new ATOM 0 HA CYS A 108 15.789 26.659 -18.174 1.00 0.00 H new ATOM 0 HB2 CYS A 108 17.903 24.874 -16.858 1.00 0.00 H new ATOM 0 HB3 CYS A 108 17.867 25.280 -18.562 1.00 0.00 H new ATOM 0 HG CYS A 108 18.512 27.407 -15.943 1.00 0.00 H new ATOM 1703 N SER A 109 15.104 23.669 -16.973 1.00 0.00 N ATOM 1704 CA SER A 109 14.446 22.355 -17.123 1.00 0.00 C ATOM 1705 C SER A 109 15.213 21.431 -18.090 1.00 0.00 C ATOM 1706 O SER A 109 14.683 21.064 -19.167 1.00 0.00 O ATOM 1707 CB SER A 109 12.966 22.511 -17.487 1.00 0.00 C ATOM 1708 OG SER A 109 12.308 23.205 -16.440 1.00 0.00 O ATOM 1709 OXT SER A 109 16.359 21.054 -17.743 1.00 0.00 O ATOM 0 H SER A 109 15.405 23.825 -16.011 1.00 0.00 H new ATOM 0 HA SER A 109 14.475 21.857 -16.154 1.00 0.00 H new ATOM 0 HB2 SER A 109 12.864 23.057 -18.425 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.509 21.533 -17.637 1.00 0.00 H new ATOM 0 HG SER A 109 12.961 23.459 -15.755 1.00 0.00 H new TER 1715 SER A 109