USER MOD reduce.3.24.130724 H: found=0, std=0, add=466, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 465 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 7 LYS NZ :NH3+ 157:sc= 0.0125 (180deg=0) USER MOD Set 1.2: A 9 SER OG : rot 160:sc= -1.64 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 180:sc= -0.0124 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -160:sc= 0.00171 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= 0.0636 K(o=0.064,f=-4.5!) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -0.148 F(o=-0.81,f=-0.15) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.0641 F(o=-0.82,f=-0.064) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.0522 X(o=-0.052,f=-0.42) USER MOD Single : A 34 GLN : amide:sc= -4.51! C(o=-4.5!,f=-5!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.933! USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.19 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.00888 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0622 F(o=-1,f=-0.062) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.372 9.797 8.874 1.00 0.00 N ATOM 2 CA LYS A 1 1.172 8.921 8.969 1.00 0.00 C ATOM 3 C LYS A 1 1.428 7.624 8.202 1.00 0.00 C ATOM 4 O LYS A 1 1.758 7.636 7.033 1.00 0.00 O ATOM 5 CB LYS A 1 -0.036 9.642 8.368 1.00 0.00 C ATOM 6 CG LYS A 1 -1.321 8.958 8.840 1.00 0.00 C ATOM 7 CD LYS A 1 -2.347 8.961 7.707 1.00 0.00 C ATOM 8 CE LYS A 1 -2.883 7.544 7.500 1.00 0.00 C ATOM 9 NZ LYS A 1 -2.440 7.037 6.169 1.00 0.00 N ATOM 0 H1 LYS A 1 2.199 10.680 9.395 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.193 9.307 9.284 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.564 10.016 7.876 1.00 0.00 H new ATOM 0 HA LYS A 1 0.971 8.691 10.015 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.036 10.689 8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.020 9.624 7.280 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -1.108 7.935 9.149 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -1.723 9.477 9.710 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.166 9.640 7.946 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -1.888 9.326 6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -2.521 6.887 8.291 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -3.971 7.543 7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -2.804 6.073 6.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.806 7.660 5.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -1.401 7.024 6.131 1.00 0.00 H new ATOM 25 N GLU A 2 1.275 6.505 8.850 1.00 0.00 N ATOM 26 CA GLU A 2 1.506 5.200 8.161 1.00 0.00 C ATOM 27 C GLU A 2 0.151 4.599 7.788 1.00 0.00 C ATOM 28 O GLU A 2 -0.852 4.905 8.399 1.00 0.00 O ATOM 29 CB GLU A 2 2.256 4.234 9.096 1.00 0.00 C ATOM 30 CG GLU A 2 2.891 5.007 10.262 1.00 0.00 C ATOM 31 CD GLU A 2 3.661 4.038 11.159 1.00 0.00 C ATOM 32 OE1 GLU A 2 3.414 2.847 11.060 1.00 0.00 O ATOM 33 OE2 GLU A 2 4.484 4.501 11.931 1.00 0.00 O ATOM 0 H GLU A 2 0.999 6.434 9.829 1.00 0.00 H new ATOM 0 HA GLU A 2 2.107 5.360 7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 2 1.568 3.482 9.481 1.00 0.00 H new ATOM 0 HB3 GLU A 2 3.028 3.704 8.539 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.562 5.776 9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 2 2.118 5.516 10.838 1.00 0.00 H new ATOM 40 N GLY A 3 0.093 3.753 6.790 1.00 0.00 N ATOM 41 CA GLY A 3 -1.228 3.172 6.420 1.00 0.00 C ATOM 42 C GLY A 3 -1.062 2.042 5.404 1.00 0.00 C ATOM 43 O GLY A 3 -0.034 1.896 4.772 1.00 0.00 O ATOM 0 H GLY A 3 0.887 3.446 6.227 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -1.726 2.794 7.313 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -1.868 3.950 6.003 1.00 0.00 H new ATOM 47 N TYR A 4 -2.085 1.242 5.245 1.00 0.00 N ATOM 48 CA TYR A 4 -2.024 0.113 4.276 1.00 0.00 C ATOM 49 C TYR A 4 -2.073 0.661 2.842 1.00 0.00 C ATOM 50 O TYR A 4 -2.690 1.674 2.578 1.00 0.00 O ATOM 51 CB TYR A 4 -3.235 -0.801 4.497 1.00 0.00 C ATOM 52 CG TYR A 4 -2.834 -1.993 5.331 1.00 0.00 C ATOM 53 CD1 TYR A 4 -2.140 -1.809 6.532 1.00 0.00 C ATOM 54 CD2 TYR A 4 -3.161 -3.287 4.905 1.00 0.00 C ATOM 55 CE1 TYR A 4 -1.772 -2.916 7.304 1.00 0.00 C ATOM 56 CE2 TYR A 4 -2.793 -4.393 5.679 1.00 0.00 C ATOM 57 CZ TYR A 4 -2.098 -4.207 6.879 1.00 0.00 C ATOM 58 OH TYR A 4 -1.732 -5.297 7.643 1.00 0.00 O ATOM 0 H TYR A 4 -2.967 1.326 5.751 1.00 0.00 H new ATOM 0 HA TYR A 4 -1.099 -0.444 4.425 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -4.032 -0.249 4.995 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -3.630 -1.134 3.537 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -1.888 -0.812 6.863 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -3.697 -3.431 3.979 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.235 -2.773 8.230 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.045 -5.390 5.350 1.00 0.00 H new ATOM 0 HH TYR A 4 -2.036 -6.120 7.206 1.00 0.00 H new ATOM 68 N LEU A 5 -1.449 -0.011 1.914 1.00 0.00 N ATOM 69 CA LEU A 5 -1.484 0.462 0.498 1.00 0.00 C ATOM 70 C LEU A 5 -2.560 -0.333 -0.249 1.00 0.00 C ATOM 71 O LEU A 5 -2.282 -1.055 -1.186 1.00 0.00 O ATOM 72 CB LEU A 5 -0.121 0.232 -0.161 1.00 0.00 C ATOM 73 CG LEU A 5 0.949 1.043 0.577 1.00 0.00 C ATOM 74 CD1 LEU A 5 2.324 0.418 0.335 1.00 0.00 C ATOM 75 CD2 LEU A 5 0.948 2.481 0.055 1.00 0.00 C ATOM 0 H LEU A 5 -0.917 -0.866 2.073 1.00 0.00 H new ATOM 0 HA LEU A 5 -1.712 1.527 0.465 1.00 0.00 H new ATOM 0 HB2 LEU A 5 0.131 -0.828 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -0.158 0.528 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 5 0.731 1.041 1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.084 0.996 0.861 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.328 -0.607 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.541 0.419 -0.733 1.00 0.00 H new ATOM 0 HD21 LEU A 5 1.709 3.059 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 5 1.165 2.480 -1.013 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -0.031 2.930 0.226 1.00 0.00 H new ATOM 87 N VAL A 6 -3.786 -0.214 0.185 1.00 0.00 N ATOM 88 CA VAL A 6 -4.910 -0.964 -0.455 1.00 0.00 C ATOM 89 C VAL A 6 -4.746 -1.025 -1.983 1.00 0.00 C ATOM 90 O VAL A 6 -3.979 -0.291 -2.576 1.00 0.00 O ATOM 91 CB VAL A 6 -6.229 -0.265 -0.116 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.077 1.241 -0.335 1.00 0.00 C ATOM 93 CG2 VAL A 6 -7.344 -0.798 -1.020 1.00 0.00 C ATOM 0 H VAL A 6 -4.062 0.379 0.967 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.906 -1.985 -0.073 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.483 -0.461 0.926 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -7.015 1.740 -0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.286 1.624 0.310 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.821 1.433 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.281 -0.298 -0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.091 -0.605 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -7.455 -1.871 -0.867 1.00 0.00 H new ATOM 103 N LYS A 7 -5.493 -1.900 -2.613 1.00 0.00 N ATOM 104 CA LYS A 7 -5.429 -2.035 -4.096 1.00 0.00 C ATOM 105 C LYS A 7 -6.578 -1.238 -4.719 1.00 0.00 C ATOM 106 O LYS A 7 -7.691 -1.253 -4.228 1.00 0.00 O ATOM 107 CB LYS A 7 -5.577 -3.513 -4.476 1.00 0.00 C ATOM 108 CG LYS A 7 -4.527 -3.888 -5.523 1.00 0.00 C ATOM 109 CD LYS A 7 -5.129 -4.885 -6.516 1.00 0.00 C ATOM 110 CE LYS A 7 -5.159 -6.278 -5.883 1.00 0.00 C ATOM 111 NZ LYS A 7 -6.543 -6.589 -5.425 1.00 0.00 N ATOM 0 H LYS A 7 -6.150 -2.531 -2.155 1.00 0.00 H new ATOM 0 HA LYS A 7 -4.474 -1.657 -4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.461 -4.139 -3.591 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.577 -3.698 -4.868 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.187 -2.996 -6.048 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -3.654 -4.324 -5.038 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.138 -4.577 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.540 -4.903 -7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.828 -7.024 -6.605 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.468 -6.321 -5.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.665 -7.620 -5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -6.703 -6.164 -4.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -7.229 -6.200 -6.103 1.00 0.00 H new ATOM 125 N LYS A 8 -6.325 -0.546 -5.791 1.00 0.00 N ATOM 126 CA LYS A 8 -7.408 0.249 -6.434 1.00 0.00 C ATOM 127 C LYS A 8 -8.259 -0.657 -7.327 1.00 0.00 C ATOM 128 O LYS A 8 -9.405 -0.365 -7.609 1.00 0.00 O ATOM 129 CB LYS A 8 -6.784 1.358 -7.282 1.00 0.00 C ATOM 130 CG LYS A 8 -7.877 2.069 -8.083 1.00 0.00 C ATOM 131 CD LYS A 8 -7.234 3.109 -9.000 1.00 0.00 C ATOM 132 CE LYS A 8 -8.302 4.082 -9.498 1.00 0.00 C ATOM 133 NZ LYS A 8 -8.610 3.790 -10.925 1.00 0.00 N ATOM 0 H LYS A 8 -5.416 -0.495 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 8 -8.041 0.687 -5.662 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.266 2.072 -6.641 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.039 0.937 -7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -8.441 1.346 -8.673 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -8.584 2.550 -7.408 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -6.456 3.651 -8.463 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.754 2.616 -9.845 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -9.204 3.989 -8.893 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.952 5.109 -9.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -9.337 4.451 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.747 3.899 -11.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -8.961 2.815 -11.012 1.00 0.00 H new ATOM 147 N SER A 9 -7.708 -1.748 -7.783 1.00 0.00 N ATOM 148 CA SER A 9 -8.485 -2.665 -8.666 1.00 0.00 C ATOM 149 C SER A 9 -9.898 -2.855 -8.110 1.00 0.00 C ATOM 150 O SER A 9 -10.871 -2.759 -8.829 1.00 0.00 O ATOM 151 CB SER A 9 -7.785 -4.021 -8.746 1.00 0.00 C ATOM 152 OG SER A 9 -8.248 -4.854 -7.688 1.00 0.00 O ATOM 0 H SER A 9 -6.753 -2.045 -7.583 1.00 0.00 H new ATOM 0 HA SER A 9 -8.546 -2.227 -9.662 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.987 -4.491 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.705 -3.890 -8.675 1.00 0.00 H new ATOM 0 HG SER A 9 -8.066 -5.792 -7.907 1.00 0.00 H new ATOM 158 N ASP A 10 -10.021 -3.131 -6.841 1.00 0.00 N ATOM 159 CA ASP A 10 -11.380 -3.336 -6.257 1.00 0.00 C ATOM 160 C ASP A 10 -11.514 -2.546 -4.953 1.00 0.00 C ATOM 161 O ASP A 10 -12.524 -1.918 -4.702 1.00 0.00 O ATOM 162 CB ASP A 10 -11.608 -4.829 -5.977 1.00 0.00 C ATOM 163 CG ASP A 10 -10.262 -5.541 -5.799 1.00 0.00 C ATOM 164 OD1 ASP A 10 -9.419 -5.008 -5.100 1.00 0.00 O ATOM 165 OD2 ASP A 10 -10.099 -6.609 -6.366 1.00 0.00 O ATOM 0 H ASP A 10 -9.245 -3.223 -6.185 1.00 0.00 H new ATOM 0 HA ASP A 10 -12.126 -2.983 -6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -12.214 -4.951 -5.079 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -12.162 -5.281 -6.800 1.00 0.00 H new ATOM 170 N GLY A 11 -10.512 -2.566 -4.119 1.00 0.00 N ATOM 171 CA GLY A 11 -10.601 -1.813 -2.838 1.00 0.00 C ATOM 172 C GLY A 11 -10.115 -2.693 -1.685 1.00 0.00 C ATOM 173 O GLY A 11 -9.457 -2.232 -0.775 1.00 0.00 O ATOM 0 H GLY A 11 -9.638 -3.070 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.998 -0.907 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -11.630 -1.500 -2.660 1.00 0.00 H new ATOM 177 N CYS A 12 -10.435 -3.957 -1.712 1.00 0.00 N ATOM 178 CA CYS A 12 -9.987 -4.857 -0.615 1.00 0.00 C ATOM 179 C CYS A 12 -8.511 -4.591 -0.310 1.00 0.00 C ATOM 180 O CYS A 12 -7.794 -4.019 -1.108 1.00 0.00 O ATOM 181 CB CYS A 12 -10.169 -6.314 -1.046 1.00 0.00 C ATOM 182 SG CYS A 12 -11.906 -6.607 -1.465 1.00 0.00 S ATOM 0 H CYS A 12 -10.986 -4.404 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.581 -4.668 0.279 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.535 -6.532 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -9.860 -6.983 -0.243 1.00 0.00 H new ATOM 187 N LYS A 13 -8.050 -4.998 0.839 1.00 0.00 N ATOM 188 CA LYS A 13 -6.623 -4.764 1.194 1.00 0.00 C ATOM 189 C LYS A 13 -5.723 -5.251 0.056 1.00 0.00 C ATOM 190 O LYS A 13 -6.049 -6.188 -0.647 1.00 0.00 O ATOM 191 CB LYS A 13 -6.278 -5.544 2.466 1.00 0.00 C ATOM 192 CG LYS A 13 -7.234 -5.150 3.593 1.00 0.00 C ATOM 193 CD LYS A 13 -7.419 -6.340 4.535 1.00 0.00 C ATOM 194 CE LYS A 13 -6.224 -6.432 5.485 1.00 0.00 C ATOM 195 NZ LYS A 13 -6.634 -7.148 6.727 1.00 0.00 N ATOM 0 H LYS A 13 -8.600 -5.483 1.548 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.466 -3.698 1.358 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.347 -6.615 2.276 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.249 -5.338 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.837 -4.296 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -8.196 -4.845 3.180 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.341 -6.226 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.511 -7.261 3.960 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.401 -6.960 5.002 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -5.862 -5.433 5.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -5.823 -7.212 7.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.406 -6.627 7.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.959 -8.106 6.484 1.00 0.00 H new ATOM 209 N TYR A 14 -4.585 -4.635 -0.120 1.00 0.00 N ATOM 210 CA TYR A 14 -3.661 -5.076 -1.191 1.00 0.00 C ATOM 211 C TYR A 14 -3.092 -6.436 -0.788 1.00 0.00 C ATOM 212 O TYR A 14 -2.710 -6.637 0.344 1.00 0.00 O ATOM 213 CB TYR A 14 -2.532 -4.053 -1.321 1.00 0.00 C ATOM 214 CG TYR A 14 -1.911 -4.145 -2.694 1.00 0.00 C ATOM 215 CD1 TYR A 14 -1.042 -5.196 -3.001 1.00 0.00 C ATOM 216 CD2 TYR A 14 -2.201 -3.170 -3.656 1.00 0.00 C ATOM 217 CE1 TYR A 14 -0.462 -5.276 -4.274 1.00 0.00 C ATOM 218 CE2 TYR A 14 -1.623 -3.250 -4.927 1.00 0.00 C ATOM 219 CZ TYR A 14 -0.753 -4.302 -5.236 1.00 0.00 C ATOM 220 OH TYR A 14 -0.183 -4.380 -6.489 1.00 0.00 O ATOM 0 H TYR A 14 -4.259 -3.844 0.436 1.00 0.00 H new ATOM 0 HA TYR A 14 -4.178 -5.157 -2.147 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -2.919 -3.048 -1.154 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -1.776 -4.234 -0.557 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.818 -5.946 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -2.870 -2.357 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.209 -6.088 -4.513 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.848 -2.500 -5.670 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.490 -3.627 -7.036 1.00 0.00 H new ATOM 230 N ASP A 15 -3.053 -7.383 -1.682 1.00 0.00 N ATOM 231 CA ASP A 15 -2.533 -8.726 -1.296 1.00 0.00 C ATOM 232 C ASP A 15 -1.048 -8.847 -1.619 1.00 0.00 C ATOM 233 O ASP A 15 -0.481 -8.067 -2.360 1.00 0.00 O ATOM 234 CB ASP A 15 -3.320 -9.818 -2.032 1.00 0.00 C ATOM 235 CG ASP A 15 -2.525 -11.131 -2.061 1.00 0.00 C ATOM 236 OD1 ASP A 15 -2.661 -11.904 -1.126 1.00 0.00 O ATOM 237 OD2 ASP A 15 -1.796 -11.341 -3.016 1.00 0.00 O ATOM 0 H ASP A 15 -3.354 -7.289 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.660 -8.850 -0.221 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -4.279 -9.978 -1.539 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.536 -9.495 -3.050 1.00 0.00 H new ATOM 242 N CYS A 16 -0.429 -9.845 -1.062 1.00 0.00 N ATOM 243 CA CYS A 16 1.021 -10.080 -1.308 1.00 0.00 C ATOM 244 C CYS A 16 1.453 -11.380 -0.609 1.00 0.00 C ATOM 245 O CYS A 16 1.241 -11.563 0.574 1.00 0.00 O ATOM 246 CB CYS A 16 1.837 -8.870 -0.793 1.00 0.00 C ATOM 247 SG CYS A 16 2.297 -9.069 0.959 1.00 0.00 S ATOM 0 H CYS A 16 -0.871 -10.519 -0.437 1.00 0.00 H new ATOM 0 HA CYS A 16 1.207 -10.186 -2.377 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.738 -8.755 -1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.253 -7.958 -0.915 1.00 0.00 H new ATOM 252 N PHE A 17 2.040 -12.286 -1.340 1.00 0.00 N ATOM 253 CA PHE A 17 2.473 -13.580 -0.734 1.00 0.00 C ATOM 254 C PHE A 17 3.810 -13.401 -0.002 1.00 0.00 C ATOM 255 O PHE A 17 3.877 -13.447 1.210 1.00 0.00 O ATOM 256 CB PHE A 17 2.641 -14.620 -1.844 1.00 0.00 C ATOM 257 CG PHE A 17 3.099 -15.932 -1.251 1.00 0.00 C ATOM 258 CD1 PHE A 17 2.227 -16.683 -0.455 1.00 0.00 C ATOM 259 CD2 PHE A 17 4.395 -16.400 -1.504 1.00 0.00 C ATOM 260 CE1 PHE A 17 2.651 -17.901 0.092 1.00 0.00 C ATOM 261 CE2 PHE A 17 4.818 -17.619 -0.957 1.00 0.00 C ATOM 262 CZ PHE A 17 3.947 -18.368 -0.160 1.00 0.00 C ATOM 0 H PHE A 17 2.240 -12.187 -2.335 1.00 0.00 H new ATOM 0 HA PHE A 17 1.719 -13.911 -0.020 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.697 -14.758 -2.371 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.367 -14.269 -2.577 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.227 -16.324 -0.262 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.068 -15.822 -2.120 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.979 -18.480 0.708 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.817 -17.980 -1.151 1.00 0.00 H new ATOM 0 HZ PHE A 17 4.274 -19.307 0.261 1.00 0.00 H new ATOM 272 N TRP A 18 4.875 -13.212 -0.734 1.00 0.00 N ATOM 273 CA TRP A 18 6.210 -13.048 -0.087 1.00 0.00 C ATOM 274 C TRP A 18 6.104 -12.091 1.104 1.00 0.00 C ATOM 275 O TRP A 18 6.104 -10.887 0.946 1.00 0.00 O ATOM 276 CB TRP A 18 7.204 -12.485 -1.103 1.00 0.00 C ATOM 277 CG TRP A 18 8.507 -12.174 -0.426 1.00 0.00 C ATOM 278 CD1 TRP A 18 9.291 -11.117 -0.726 1.00 0.00 C ATOM 279 CD2 TRP A 18 9.191 -12.900 0.645 1.00 0.00 C ATOM 280 NE1 TRP A 18 10.410 -11.141 0.090 1.00 0.00 N ATOM 281 CE2 TRP A 18 10.393 -12.219 0.951 1.00 0.00 C ATOM 282 CE3 TRP A 18 8.891 -14.069 1.376 1.00 0.00 C ATOM 283 CZ2 TRP A 18 11.264 -12.676 1.938 1.00 0.00 C ATOM 284 CZ3 TRP A 18 9.769 -14.530 2.374 1.00 0.00 C ATOM 285 CH2 TRP A 18 10.951 -13.833 2.652 1.00 0.00 C ATOM 0 H TRP A 18 4.879 -13.164 -1.753 1.00 0.00 H new ATOM 0 HA TRP A 18 6.555 -14.020 0.266 1.00 0.00 H new ATOM 0 HB2 TRP A 18 7.364 -13.205 -1.905 1.00 0.00 H new ATOM 0 HB3 TRP A 18 6.798 -11.583 -1.561 1.00 0.00 H new ATOM 0 HD1 TRP A 18 9.080 -10.373 -1.480 1.00 0.00 H new ATOM 0 HE1 TRP A 18 11.156 -10.446 0.058 1.00 0.00 H new ATOM 0 HE3 TRP A 18 7.982 -14.613 1.168 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 12.176 -12.138 2.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 9.530 -15.426 2.928 1.00 0.00 H new ATOM 0 HH2 TRP A 18 11.621 -14.191 3.420 1.00 0.00 H new ATOM 296 N LEU A 19 6.022 -12.619 2.295 1.00 0.00 N ATOM 297 CA LEU A 19 5.926 -11.741 3.496 1.00 0.00 C ATOM 298 C LEU A 19 7.287 -11.100 3.771 1.00 0.00 C ATOM 299 O LEU A 19 8.319 -11.655 3.453 1.00 0.00 O ATOM 300 CB LEU A 19 5.516 -12.580 4.707 1.00 0.00 C ATOM 301 CG LEU A 19 4.014 -12.850 4.656 1.00 0.00 C ATOM 302 CD1 LEU A 19 3.709 -14.169 5.369 1.00 0.00 C ATOM 303 CD2 LEU A 19 3.268 -11.713 5.356 1.00 0.00 C ATOM 0 H LEU A 19 6.017 -13.621 2.488 1.00 0.00 H new ATOM 0 HA LEU A 19 5.183 -10.964 3.316 1.00 0.00 H new ATOM 0 HB2 LEU A 19 6.065 -13.521 4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.771 -12.056 5.628 1.00 0.00 H new ATOM 0 HG LEU A 19 3.692 -12.913 3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.637 -14.363 5.333 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.241 -14.982 4.874 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.031 -14.104 6.408 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.196 -11.905 5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.591 -11.651 6.395 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.485 -10.771 4.852 1.00 0.00 H new ATOM 315 N GLY A 20 7.297 -9.941 4.373 1.00 0.00 N ATOM 316 CA GLY A 20 8.594 -9.272 4.681 1.00 0.00 C ATOM 317 C GLY A 20 8.909 -8.220 3.616 1.00 0.00 C ATOM 318 O GLY A 20 8.076 -7.875 2.802 1.00 0.00 O ATOM 0 H GLY A 20 6.464 -9.429 4.664 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.546 -8.803 5.664 1.00 0.00 H new ATOM 0 HA3 GLY A 20 9.393 -10.012 4.720 1.00 0.00 H new ATOM 322 N LYS A 21 10.113 -7.708 3.620 1.00 0.00 N ATOM 323 CA LYS A 21 10.497 -6.677 2.612 1.00 0.00 C ATOM 324 C LYS A 21 9.974 -7.082 1.234 1.00 0.00 C ATOM 325 O LYS A 21 10.163 -8.197 0.791 1.00 0.00 O ATOM 326 CB LYS A 21 12.022 -6.561 2.566 1.00 0.00 C ATOM 327 CG LYS A 21 12.418 -5.103 2.323 1.00 0.00 C ATOM 328 CD LYS A 21 13.615 -4.748 3.209 1.00 0.00 C ATOM 329 CE LYS A 21 14.604 -3.892 2.417 1.00 0.00 C ATOM 330 NZ LYS A 21 14.467 -2.466 2.829 1.00 0.00 N ATOM 0 H LYS A 21 10.848 -7.961 4.280 1.00 0.00 H new ATOM 0 HA LYS A 21 10.064 -5.717 2.891 1.00 0.00 H new ATOM 0 HB2 LYS A 21 12.452 -6.914 3.503 1.00 0.00 H new ATOM 0 HB3 LYS A 21 12.421 -7.194 1.774 1.00 0.00 H new ATOM 0 HG2 LYS A 21 12.671 -4.953 1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 21 11.578 -4.444 2.546 1.00 0.00 H new ATOM 0 HD2 LYS A 21 13.278 -4.208 4.093 1.00 0.00 H new ATOM 0 HD3 LYS A 21 14.104 -5.657 3.558 1.00 0.00 H new ATOM 0 HE2 LYS A 21 15.623 -4.237 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 21 14.414 -3.993 1.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 14.866 -1.852 2.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 13.461 -2.238 2.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 14.979 -2.312 3.721 1.00 0.00 H new ATOM 344 N ASN A 22 9.319 -6.182 0.551 1.00 0.00 N ATOM 345 CA ASN A 22 8.785 -6.512 -0.800 1.00 0.00 C ATOM 346 C ASN A 22 9.604 -5.776 -1.862 1.00 0.00 C ATOM 347 O ASN A 22 10.256 -4.790 -1.582 1.00 0.00 O ATOM 348 CB ASN A 22 7.320 -6.079 -0.890 1.00 0.00 C ATOM 349 CG ASN A 22 6.539 -7.092 -1.730 1.00 0.00 C ATOM 350 OD1 ASN A 22 7.103 -7.762 -2.572 1.00 0.00 O ATOM 351 ND2 ASN A 22 5.255 -7.234 -1.535 1.00 0.00 N ATOM 0 H ASN A 22 9.131 -5.232 0.871 1.00 0.00 H new ATOM 0 HA ASN A 22 8.854 -7.587 -0.968 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.888 -6.009 0.108 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.250 -5.088 -1.338 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.726 -7.907 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.781 -6.672 -0.828 1.00 0.00 H new ATOM 358 N GLU A 23 9.579 -6.248 -3.075 1.00 0.00 N ATOM 359 CA GLU A 23 10.359 -5.575 -4.149 1.00 0.00 C ATOM 360 C GLU A 23 9.438 -4.650 -4.952 1.00 0.00 C ATOM 361 O GLU A 23 9.569 -3.444 -4.910 1.00 0.00 O ATOM 362 CB GLU A 23 10.964 -6.629 -5.078 1.00 0.00 C ATOM 363 CG GLU A 23 12.160 -6.029 -5.819 1.00 0.00 C ATOM 364 CD GLU A 23 11.681 -5.383 -7.119 1.00 0.00 C ATOM 365 OE1 GLU A 23 10.888 -6.002 -7.809 1.00 0.00 O ATOM 366 OE2 GLU A 23 12.113 -4.278 -7.404 1.00 0.00 O ATOM 0 H GLU A 23 9.053 -7.070 -3.370 1.00 0.00 H new ATOM 0 HA GLU A 23 11.159 -4.986 -3.700 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.279 -7.499 -4.502 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.215 -6.973 -5.792 1.00 0.00 H new ATOM 0 HG2 GLU A 23 12.655 -5.287 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 23 12.894 -6.805 -6.035 1.00 0.00 H new ATOM 373 N HIS A 24 8.513 -5.207 -5.685 1.00 0.00 N ATOM 374 CA HIS A 24 7.587 -4.360 -6.493 1.00 0.00 C ATOM 375 C HIS A 24 6.922 -3.312 -5.594 1.00 0.00 C ATOM 376 O HIS A 24 7.018 -2.125 -5.835 1.00 0.00 O ATOM 377 CB HIS A 24 6.510 -5.245 -7.125 1.00 0.00 C ATOM 378 CG HIS A 24 5.774 -4.463 -8.178 1.00 0.00 C ATOM 379 ND1 HIS A 24 5.743 -3.123 -8.465 1.00 0.00 N flip ATOM 380 CD2 HIS A 24 4.934 -5.070 -9.102 1.00 0.00 C flip ATOM 381 CE1 HIS A 24 4.899 -2.894 -9.548 1.00 0.00 C flip ATOM 382 NE2 HIS A 24 4.438 -4.100 -9.893 1.00 0.00 N flip ATOM 0 H HIS A 24 8.358 -6.212 -5.760 1.00 0.00 H new ATOM 0 HA HIS A 24 8.153 -3.855 -7.275 1.00 0.00 H new ATOM 0 HB2 HIS A 24 6.965 -6.131 -7.567 1.00 0.00 H new ATOM 0 HB3 HIS A 24 5.814 -5.591 -6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 24 4.718 -6.126 -9.173 1.00 0.00 H new ATOM 0 HE1 HIS A 24 4.667 -1.946 -10.010 1.00 0.00 H new ATOM 0 HE2 HIS A 24 3.789 -4.266 -10.662 1.00 0.00 H new ATOM 390 N CYS A 25 6.248 -3.739 -4.563 1.00 0.00 N ATOM 391 CA CYS A 25 5.574 -2.764 -3.655 1.00 0.00 C ATOM 392 C CYS A 25 6.604 -1.774 -3.105 1.00 0.00 C ATOM 393 O CYS A 25 6.267 -0.693 -2.665 1.00 0.00 O ATOM 394 CB CYS A 25 4.923 -3.518 -2.492 1.00 0.00 C ATOM 395 SG CYS A 25 3.382 -2.696 -2.017 1.00 0.00 S ATOM 0 H CYS A 25 6.134 -4.720 -4.308 1.00 0.00 H new ATOM 0 HA CYS A 25 4.811 -2.220 -4.212 1.00 0.00 H new ATOM 0 HB2 CYS A 25 4.722 -4.549 -2.782 1.00 0.00 H new ATOM 0 HB3 CYS A 25 5.604 -3.553 -1.642 1.00 0.00 H new ATOM 400 N ASN A 26 7.856 -2.139 -3.118 1.00 0.00 N ATOM 401 CA ASN A 26 8.908 -1.226 -2.587 1.00 0.00 C ATOM 402 C ASN A 26 9.040 0.006 -3.486 1.00 0.00 C ATOM 403 O ASN A 26 8.936 1.128 -3.033 1.00 0.00 O ATOM 404 CB ASN A 26 10.247 -1.964 -2.543 1.00 0.00 C ATOM 405 CG ASN A 26 10.901 -1.748 -1.180 1.00 0.00 C ATOM 406 OD1 ASN A 26 10.693 -0.629 -0.544 1.00 0.00 O flip ATOM 407 ND2 ASN A 26 11.606 -2.605 -0.688 1.00 0.00 N flip ATOM 0 H ASN A 26 8.197 -3.032 -3.474 1.00 0.00 H new ATOM 0 HA ASN A 26 8.627 -0.908 -1.583 1.00 0.00 H new ATOM 0 HB2 ASN A 26 10.094 -3.028 -2.721 1.00 0.00 H new ATOM 0 HB3 ASN A 26 10.902 -1.600 -3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 26 11.768 -3.480 -1.186 1.00 0.00 H new ATOM 0 HD22 ASN A 26 12.036 -2.450 0.224 1.00 0.00 H new ATOM 414 N THR A 27 9.275 -0.191 -4.753 1.00 0.00 N ATOM 415 CA THR A 27 9.420 0.974 -5.670 1.00 0.00 C ATOM 416 C THR A 27 8.067 1.693 -5.804 1.00 0.00 C ATOM 417 O THR A 27 8.006 2.895 -5.963 1.00 0.00 O ATOM 418 CB THR A 27 9.919 0.484 -7.050 1.00 0.00 C ATOM 419 OG1 THR A 27 10.758 1.478 -7.624 1.00 0.00 O ATOM 420 CG2 THR A 27 8.736 0.208 -7.994 1.00 0.00 C ATOM 0 H THR A 27 9.373 -1.106 -5.193 1.00 0.00 H new ATOM 0 HA THR A 27 10.148 1.677 -5.265 1.00 0.00 H new ATOM 0 HB THR A 27 10.475 -0.443 -6.911 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.078 1.171 -8.498 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.112 -0.135 -8.958 1.00 0.00 H new ATOM 0 HG22 THR A 27 8.096 -0.560 -7.560 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.161 1.123 -8.134 1.00 0.00 H new ATOM 428 N GLU A 28 6.986 0.961 -5.741 1.00 0.00 N ATOM 429 CA GLU A 28 5.643 1.597 -5.867 1.00 0.00 C ATOM 430 C GLU A 28 5.472 2.662 -4.779 1.00 0.00 C ATOM 431 O GLU A 28 4.958 3.735 -5.024 1.00 0.00 O ATOM 432 CB GLU A 28 4.556 0.525 -5.715 1.00 0.00 C ATOM 433 CG GLU A 28 4.014 0.146 -7.096 1.00 0.00 C ATOM 434 CD GLU A 28 2.852 -0.840 -6.941 1.00 0.00 C ATOM 435 OE1 GLU A 28 2.277 -0.886 -5.866 1.00 0.00 O ATOM 436 OE2 GLU A 28 2.558 -1.533 -7.902 1.00 0.00 O ATOM 0 H GLU A 28 6.976 -0.050 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 28 5.555 2.068 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.966 -0.355 -5.219 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.748 0.898 -5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 28 3.678 1.039 -7.623 1.00 0.00 H new ATOM 0 HG3 GLU A 28 4.805 -0.301 -7.698 1.00 0.00 H new ATOM 443 N CYS A 29 5.900 2.378 -3.578 1.00 0.00 N ATOM 444 CA CYS A 29 5.757 3.378 -2.478 1.00 0.00 C ATOM 445 C CYS A 29 6.942 4.349 -2.507 1.00 0.00 C ATOM 446 O CYS A 29 6.864 5.450 -2.000 1.00 0.00 O ATOM 447 CB CYS A 29 5.726 2.655 -1.129 1.00 0.00 C ATOM 448 SG CYS A 29 4.453 3.398 -0.069 1.00 0.00 S ATOM 0 H CYS A 29 6.342 1.498 -3.310 1.00 0.00 H new ATOM 0 HA CYS A 29 4.829 3.933 -2.615 1.00 0.00 H new ATOM 0 HB2 CYS A 29 5.517 1.596 -1.278 1.00 0.00 H new ATOM 0 HB3 CYS A 29 6.701 2.723 -0.646 1.00 0.00 H new ATOM 453 N LYS A 30 8.040 3.951 -3.095 1.00 0.00 N ATOM 454 CA LYS A 30 9.225 4.857 -3.151 1.00 0.00 C ATOM 455 C LYS A 30 8.937 6.014 -4.109 1.00 0.00 C ATOM 456 O LYS A 30 9.481 7.093 -3.977 1.00 0.00 O ATOM 457 CB LYS A 30 10.448 4.075 -3.646 1.00 0.00 C ATOM 458 CG LYS A 30 11.727 4.780 -3.185 1.00 0.00 C ATOM 459 CD LYS A 30 12.897 3.793 -3.219 1.00 0.00 C ATOM 460 CE LYS A 30 13.674 3.968 -4.525 1.00 0.00 C ATOM 461 NZ LYS A 30 14.900 3.120 -4.495 1.00 0.00 N ATOM 0 H LYS A 30 8.167 3.041 -3.537 1.00 0.00 H new ATOM 0 HA LYS A 30 9.427 5.251 -2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.422 3.056 -3.259 1.00 0.00 H new ATOM 0 HB3 LYS A 30 10.431 4.004 -4.734 1.00 0.00 H new ATOM 0 HG2 LYS A 30 11.938 5.632 -3.831 1.00 0.00 H new ATOM 0 HG3 LYS A 30 11.596 5.170 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 30 13.555 3.963 -2.367 1.00 0.00 H new ATOM 0 HD3 LYS A 30 12.527 2.771 -3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.048 3.690 -5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.947 5.015 -4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 15.427 3.240 -5.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 15.500 3.406 -3.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 14.629 2.122 -4.385 1.00 0.00 H new ATOM 475 N ALA A 31 8.087 5.798 -5.076 1.00 0.00 N ATOM 476 CA ALA A 31 7.765 6.885 -6.044 1.00 0.00 C ATOM 477 C ALA A 31 7.351 8.146 -5.282 1.00 0.00 C ATOM 478 O ALA A 31 7.049 8.103 -4.103 1.00 0.00 O ATOM 479 CB ALA A 31 6.616 6.438 -6.946 1.00 0.00 C ATOM 0 H ALA A 31 7.602 4.916 -5.237 1.00 0.00 H new ATOM 0 HA ALA A 31 8.644 7.101 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.379 7.232 -7.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.909 5.541 -7.491 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.738 6.222 -6.337 1.00 0.00 H new ATOM 485 N LYS A 32 7.335 9.272 -5.946 1.00 0.00 N ATOM 486 CA LYS A 32 6.943 10.534 -5.259 1.00 0.00 C ATOM 487 C LYS A 32 5.459 10.805 -5.479 1.00 0.00 C ATOM 488 O LYS A 32 4.872 11.658 -4.843 1.00 0.00 O ATOM 489 CB LYS A 32 7.763 11.697 -5.822 1.00 0.00 C ATOM 490 CG LYS A 32 7.546 11.790 -7.333 1.00 0.00 C ATOM 491 CD LYS A 32 7.641 13.253 -7.770 1.00 0.00 C ATOM 492 CE LYS A 32 6.459 13.593 -8.681 1.00 0.00 C ATOM 493 NZ LYS A 32 6.904 13.574 -10.104 1.00 0.00 N ATOM 0 H LYS A 32 7.576 9.370 -6.932 1.00 0.00 H new ATOM 0 HA LYS A 32 7.134 10.435 -4.191 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.466 12.630 -5.343 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.821 11.549 -5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.293 11.193 -7.856 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.570 11.382 -7.597 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.640 13.905 -6.897 1.00 0.00 H new ATOM 0 HD3 LYS A 32 8.580 13.426 -8.296 1.00 0.00 H new ATOM 0 HE2 LYS A 32 5.653 12.875 -8.532 1.00 0.00 H new ATOM 0 HE3 LYS A 32 6.061 14.575 -8.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 6.100 13.805 -10.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 7.659 14.276 -10.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 7.263 12.628 -10.343 1.00 0.00 H new ATOM 507 N ASN A 33 4.842 10.085 -6.365 1.00 0.00 N ATOM 508 CA ASN A 33 3.392 10.305 -6.609 1.00 0.00 C ATOM 509 C ASN A 33 2.613 9.870 -5.363 1.00 0.00 C ATOM 510 O ASN A 33 1.463 10.221 -5.178 1.00 0.00 O ATOM 511 CB ASN A 33 2.947 9.493 -7.848 1.00 0.00 C ATOM 512 CG ASN A 33 2.427 8.109 -7.430 1.00 0.00 C ATOM 513 OD1 ASN A 33 1.265 7.955 -7.110 1.00 0.00 O ATOM 514 ND2 ASN A 33 3.241 7.093 -7.424 1.00 0.00 N ATOM 0 H ASN A 33 5.275 9.355 -6.931 1.00 0.00 H new ATOM 0 HA ASN A 33 3.194 11.359 -6.803 1.00 0.00 H new ATOM 0 HB2 ASN A 33 2.167 10.034 -8.383 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.785 9.380 -8.536 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.903 6.170 -7.151 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.217 7.220 -7.692 1.00 0.00 H new ATOM 521 N GLN A 34 3.240 9.105 -4.508 1.00 0.00 N ATOM 522 CA GLN A 34 2.552 8.642 -3.272 1.00 0.00 C ATOM 523 C GLN A 34 3.114 9.394 -2.067 1.00 0.00 C ATOM 524 O GLN A 34 2.388 10.025 -1.324 1.00 0.00 O ATOM 525 CB GLN A 34 2.787 7.142 -3.085 1.00 0.00 C ATOM 526 CG GLN A 34 1.493 6.382 -3.377 1.00 0.00 C ATOM 527 CD GLN A 34 0.951 5.777 -2.080 1.00 0.00 C ATOM 528 OE1 GLN A 34 -0.224 5.885 -1.790 1.00 0.00 O ATOM 529 NE2 GLN A 34 1.763 5.142 -1.281 1.00 0.00 N ATOM 0 H GLN A 34 4.201 8.781 -4.615 1.00 0.00 H new ATOM 0 HA GLN A 34 1.483 8.835 -3.360 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.579 6.802 -3.752 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.118 6.939 -2.067 1.00 0.00 H new ATOM 0 HG2 GLN A 34 0.754 7.055 -3.813 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.678 5.595 -4.108 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.750 5.051 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.412 4.737 -0.414 1.00 0.00 H new ATOM 538 N GLY A 35 4.403 9.332 -1.866 1.00 0.00 N ATOM 539 CA GLY A 35 5.009 10.046 -0.705 1.00 0.00 C ATOM 540 C GLY A 35 5.693 9.037 0.220 1.00 0.00 C ATOM 541 O GLY A 35 6.784 9.265 0.703 1.00 0.00 O ATOM 0 H GLY A 35 5.061 8.820 -2.453 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.733 10.782 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.239 10.591 -0.159 1.00 0.00 H new ATOM 545 N GLY A 36 5.059 7.924 0.476 1.00 0.00 N ATOM 546 CA GLY A 36 5.675 6.902 1.374 1.00 0.00 C ATOM 547 C GLY A 36 7.157 6.746 1.031 1.00 0.00 C ATOM 548 O GLY A 36 7.613 7.181 -0.008 1.00 0.00 O ATOM 0 H GLY A 36 4.142 7.678 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 36 5.562 7.203 2.416 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.162 5.947 1.260 1.00 0.00 H new ATOM 552 N SER A 37 7.917 6.127 1.897 1.00 0.00 N ATOM 553 CA SER A 37 9.370 5.948 1.614 1.00 0.00 C ATOM 554 C SER A 37 9.743 4.469 1.734 1.00 0.00 C ATOM 555 O SER A 37 10.209 3.861 0.792 1.00 0.00 O ATOM 556 CB SER A 37 10.189 6.764 2.614 1.00 0.00 C ATOM 557 OG SER A 37 10.620 5.919 3.674 1.00 0.00 O ATOM 0 H SER A 37 7.595 5.740 2.784 1.00 0.00 H new ATOM 0 HA SER A 37 9.584 6.291 0.602 1.00 0.00 H new ATOM 0 HB2 SER A 37 11.050 7.210 2.117 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.589 7.584 3.009 1.00 0.00 H new ATOM 0 HG SER A 37 11.147 6.441 4.315 1.00 0.00 H new ATOM 563 N TYR A 38 9.545 3.882 2.884 1.00 0.00 N ATOM 564 CA TYR A 38 9.897 2.443 3.048 1.00 0.00 C ATOM 565 C TYR A 38 8.749 1.703 3.734 1.00 0.00 C ATOM 566 O TYR A 38 7.730 2.279 4.057 1.00 0.00 O ATOM 567 CB TYR A 38 11.162 2.319 3.898 1.00 0.00 C ATOM 568 CG TYR A 38 12.346 2.057 2.999 1.00 0.00 C ATOM 569 CD1 TYR A 38 12.538 0.783 2.449 1.00 0.00 C ATOM 570 CD2 TYR A 38 13.248 3.087 2.711 1.00 0.00 C ATOM 571 CE1 TYR A 38 13.632 0.540 1.612 1.00 0.00 C ATOM 572 CE2 TYR A 38 14.344 2.844 1.874 1.00 0.00 C ATOM 573 CZ TYR A 38 14.536 1.571 1.324 1.00 0.00 C ATOM 574 OH TYR A 38 15.616 1.331 0.498 1.00 0.00 O ATOM 0 H TYR A 38 9.157 4.334 3.712 1.00 0.00 H new ATOM 0 HA TYR A 38 10.073 2.004 2.066 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.321 3.234 4.469 1.00 0.00 H new ATOM 0 HB3 TYR A 38 11.052 1.508 4.618 1.00 0.00 H new ATOM 0 HD1 TYR A 38 11.841 -0.012 2.671 1.00 0.00 H new ATOM 0 HD2 TYR A 38 13.099 4.069 3.134 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.780 -0.442 1.188 1.00 0.00 H new ATOM 0 HE2 TYR A 38 15.041 3.639 1.653 1.00 0.00 H new ATOM 0 HH TYR A 38 16.142 2.152 0.401 1.00 0.00 H new ATOM 584 N GLY A 39 8.909 0.428 3.961 1.00 0.00 N ATOM 585 CA GLY A 39 7.830 -0.350 4.627 1.00 0.00 C ATOM 586 C GLY A 39 8.035 -1.843 4.361 1.00 0.00 C ATOM 587 O GLY A 39 9.130 -2.289 4.079 1.00 0.00 O ATOM 0 H GLY A 39 9.741 -0.107 3.713 1.00 0.00 H new ATOM 0 HA2 GLY A 39 7.838 -0.157 5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.856 -0.034 4.253 1.00 0.00 H new ATOM 591 N TYR A 40 6.988 -2.619 4.449 1.00 0.00 N ATOM 592 CA TYR A 40 7.118 -4.084 4.203 1.00 0.00 C ATOM 593 C TYR A 40 5.728 -4.691 4.040 1.00 0.00 C ATOM 594 O TYR A 40 4.739 -3.987 3.992 1.00 0.00 O ATOM 595 CB TYR A 40 7.813 -4.741 5.394 1.00 0.00 C ATOM 596 CG TYR A 40 7.373 -4.064 6.672 1.00 0.00 C ATOM 597 CD1 TYR A 40 6.230 -4.515 7.349 1.00 0.00 C ATOM 598 CD2 TYR A 40 8.111 -2.989 7.185 1.00 0.00 C ATOM 599 CE1 TYR A 40 5.829 -3.890 8.538 1.00 0.00 C ATOM 600 CE2 TYR A 40 7.708 -2.365 8.371 1.00 0.00 C ATOM 601 CZ TYR A 40 6.569 -2.816 9.049 1.00 0.00 C ATOM 602 OH TYR A 40 6.178 -2.203 10.220 1.00 0.00 O ATOM 0 H TYR A 40 6.047 -2.301 4.681 1.00 0.00 H new ATOM 0 HA TYR A 40 7.704 -4.251 3.299 1.00 0.00 H new ATOM 0 HB2 TYR A 40 7.569 -5.803 5.430 1.00 0.00 H new ATOM 0 HB3 TYR A 40 8.895 -4.666 5.284 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.660 -5.343 6.955 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.991 -2.642 6.665 1.00 0.00 H new ATOM 0 HE1 TYR A 40 4.949 -4.237 9.060 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.276 -1.535 8.764 1.00 0.00 H new ATOM 0 HH TYR A 40 6.801 -1.478 10.434 1.00 0.00 H new ATOM 612 N CYS A 41 5.639 -5.988 3.965 1.00 0.00 N ATOM 613 CA CYS A 41 4.301 -6.622 3.819 1.00 0.00 C ATOM 614 C CYS A 41 3.880 -7.198 5.172 1.00 0.00 C ATOM 615 O CYS A 41 4.642 -7.882 5.825 1.00 0.00 O ATOM 616 CB CYS A 41 4.357 -7.737 2.766 1.00 0.00 C ATOM 617 SG CYS A 41 3.221 -7.329 1.413 1.00 0.00 S ATOM 0 H CYS A 41 6.429 -6.633 3.998 1.00 0.00 H new ATOM 0 HA CYS A 41 3.575 -5.878 3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.373 -7.845 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 41 4.082 -8.692 3.214 1.00 0.00 H new ATOM 622 N TYR A 42 2.681 -6.917 5.609 1.00 0.00 N ATOM 623 CA TYR A 42 2.237 -7.441 6.928 1.00 0.00 C ATOM 624 C TYR A 42 1.141 -8.486 6.737 1.00 0.00 C ATOM 625 O TYR A 42 -0.026 -8.167 6.622 1.00 0.00 O ATOM 626 CB TYR A 42 1.717 -6.299 7.780 1.00 0.00 C ATOM 627 CG TYR A 42 2.045 -6.566 9.230 1.00 0.00 C ATOM 628 CD1 TYR A 42 3.339 -6.331 9.707 1.00 0.00 C ATOM 629 CD2 TYR A 42 1.054 -7.045 10.098 1.00 0.00 C ATOM 630 CE1 TYR A 42 3.645 -6.573 11.052 1.00 0.00 C ATOM 631 CE2 TYR A 42 1.362 -7.289 11.443 1.00 0.00 C ATOM 632 CZ TYR A 42 2.657 -7.051 11.919 1.00 0.00 C ATOM 633 OH TYR A 42 2.957 -7.287 13.245 1.00 0.00 O ATOM 0 H TYR A 42 1.995 -6.350 5.111 1.00 0.00 H new ATOM 0 HA TYR A 42 3.085 -7.909 7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 42 2.167 -5.359 7.461 1.00 0.00 H new ATOM 0 HB3 TYR A 42 0.639 -6.197 7.652 1.00 0.00 H new ATOM 0 HD1 TYR A 42 4.102 -5.963 9.038 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.055 -7.226 9.731 1.00 0.00 H new ATOM 0 HE1 TYR A 42 4.644 -6.391 11.420 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.600 -7.661 12.113 1.00 0.00 H new ATOM 0 HH TYR A 42 2.158 -7.615 13.708 1.00 0.00 H new ATOM 643 N ALA A 43 1.529 -9.736 6.701 1.00 0.00 N ATOM 644 CA ALA A 43 0.559 -10.847 6.521 1.00 0.00 C ATOM 645 C ALA A 43 0.318 -11.060 5.047 1.00 0.00 C ATOM 646 O ALA A 43 0.611 -12.101 4.500 1.00 0.00 O ATOM 647 CB ALA A 43 -0.763 -10.516 7.219 1.00 0.00 C ATOM 0 H ALA A 43 2.500 -10.034 6.791 1.00 0.00 H new ATOM 0 HA ALA A 43 0.968 -11.756 6.963 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.464 -11.339 7.079 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.585 -10.368 8.284 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.182 -9.605 6.791 1.00 0.00 H new ATOM 653 N PHE A 44 -0.199 -10.076 4.411 1.00 0.00 N ATOM 654 CA PHE A 44 -0.476 -10.178 2.945 1.00 0.00 C ATOM 655 C PHE A 44 -0.742 -8.787 2.355 1.00 0.00 C ATOM 656 O PHE A 44 -1.287 -8.669 1.281 1.00 0.00 O ATOM 657 CB PHE A 44 -1.727 -11.039 2.708 1.00 0.00 C ATOM 658 CG PHE A 44 -1.489 -12.457 3.161 1.00 0.00 C ATOM 659 CD1 PHE A 44 -0.708 -13.325 2.385 1.00 0.00 C ATOM 660 CD2 PHE A 44 -2.054 -12.907 4.358 1.00 0.00 C ATOM 661 CE1 PHE A 44 -0.496 -14.643 2.809 1.00 0.00 C ATOM 662 CE2 PHE A 44 -1.844 -14.223 4.782 1.00 0.00 C ATOM 663 CZ PHE A 44 -1.065 -15.092 4.009 1.00 0.00 C ATOM 0 H PHE A 44 -0.452 -9.183 4.835 1.00 0.00 H new ATOM 0 HA PHE A 44 0.394 -10.628 2.466 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -2.574 -10.616 3.249 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -1.987 -11.028 1.650 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.270 -12.978 1.461 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.654 -12.237 4.956 1.00 0.00 H new ATOM 0 HE1 PHE A 44 0.105 -15.313 2.212 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -2.283 -14.569 5.706 1.00 0.00 H new ATOM 0 HZ PHE A 44 -0.902 -16.108 4.337 1.00 0.00 H new ATOM 673 N ALA A 45 -0.381 -7.729 3.034 1.00 0.00 N ATOM 674 CA ALA A 45 -0.653 -6.375 2.464 1.00 0.00 C ATOM 675 C ALA A 45 0.606 -5.523 2.528 1.00 0.00 C ATOM 676 O ALA A 45 1.596 -5.911 3.098 1.00 0.00 O ATOM 677 CB ALA A 45 -1.763 -5.696 3.266 1.00 0.00 C ATOM 0 H ALA A 45 0.082 -7.741 3.943 1.00 0.00 H new ATOM 0 HA ALA A 45 -0.964 -6.482 1.425 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -1.961 -4.708 2.850 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.669 -6.299 3.216 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.451 -5.596 4.306 1.00 0.00 H new ATOM 683 N CYS A 46 0.570 -4.355 1.944 1.00 0.00 N ATOM 684 CA CYS A 46 1.765 -3.471 1.972 1.00 0.00 C ATOM 685 C CYS A 46 1.606 -2.436 3.090 1.00 0.00 C ATOM 686 O CYS A 46 0.511 -2.128 3.514 1.00 0.00 O ATOM 687 CB CYS A 46 1.904 -2.757 0.625 1.00 0.00 C ATOM 688 SG CYS A 46 2.603 -3.900 -0.594 1.00 0.00 S ATOM 0 H CYS A 46 -0.238 -3.977 1.449 1.00 0.00 H new ATOM 0 HA CYS A 46 2.657 -4.069 2.156 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.931 -2.400 0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 46 2.546 -1.882 0.729 1.00 0.00 H new ATOM 693 N TRP A 47 2.694 -1.903 3.567 1.00 0.00 N ATOM 694 CA TRP A 47 2.628 -0.889 4.661 1.00 0.00 C ATOM 695 C TRP A 47 3.654 0.210 4.363 1.00 0.00 C ATOM 696 O TRP A 47 4.782 -0.073 4.014 1.00 0.00 O ATOM 697 CB TRP A 47 2.967 -1.578 5.990 1.00 0.00 C ATOM 698 CG TRP A 47 2.555 -0.721 7.147 1.00 0.00 C ATOM 699 CD1 TRP A 47 2.910 0.572 7.328 1.00 0.00 C ATOM 700 CD2 TRP A 47 1.728 -1.083 8.294 1.00 0.00 C ATOM 701 NE1 TRP A 47 2.352 1.025 8.513 1.00 0.00 N ATOM 702 CE2 TRP A 47 1.615 0.041 9.142 1.00 0.00 C ATOM 703 CE3 TRP A 47 1.072 -2.269 8.674 1.00 0.00 C ATOM 704 CZ2 TRP A 47 0.878 -0.007 10.328 1.00 0.00 C ATOM 705 CZ3 TRP A 47 0.328 -2.320 9.869 1.00 0.00 C ATOM 706 CH2 TRP A 47 0.233 -1.191 10.692 1.00 0.00 C ATOM 0 H TRP A 47 3.636 -2.126 3.245 1.00 0.00 H new ATOM 0 HA TRP A 47 1.632 -0.451 4.726 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.461 -2.542 6.046 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.038 -1.777 6.040 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.526 1.155 6.660 1.00 0.00 H new ATOM 0 HE1 TRP A 47 2.471 1.971 8.876 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.139 -3.145 8.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 0.808 0.866 10.960 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -0.172 -3.235 10.152 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -0.338 -1.236 11.607 1.00 0.00 H new ATOM 717 N CYS A 48 3.283 1.459 4.481 1.00 0.00 N ATOM 718 CA CYS A 48 4.267 2.540 4.182 1.00 0.00 C ATOM 719 C CYS A 48 4.330 3.524 5.349 1.00 0.00 C ATOM 720 O CYS A 48 3.467 3.548 6.204 1.00 0.00 O ATOM 721 CB CYS A 48 3.850 3.279 2.907 1.00 0.00 C ATOM 722 SG CYS A 48 5.270 3.385 1.780 1.00 0.00 S ATOM 0 H CYS A 48 2.356 1.773 4.767 1.00 0.00 H new ATOM 0 HA CYS A 48 5.252 2.095 4.036 1.00 0.00 H new ATOM 0 HB2 CYS A 48 3.026 2.755 2.423 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.492 4.279 3.153 1.00 0.00 H new ATOM 727 N GLU A 49 5.352 4.333 5.390 1.00 0.00 N ATOM 728 CA GLU A 49 5.486 5.315 6.499 1.00 0.00 C ATOM 729 C GLU A 49 6.052 6.624 5.953 1.00 0.00 C ATOM 730 O GLU A 49 7.192 6.691 5.537 1.00 0.00 O ATOM 731 CB GLU A 49 6.440 4.762 7.559 1.00 0.00 C ATOM 732 CG GLU A 49 5.905 3.433 8.091 1.00 0.00 C ATOM 733 CD GLU A 49 6.818 2.295 7.633 1.00 0.00 C ATOM 734 OE1 GLU A 49 7.964 2.571 7.318 1.00 0.00 O ATOM 735 OE2 GLU A 49 6.357 1.167 7.604 1.00 0.00 O ATOM 0 H GLU A 49 6.103 4.355 4.700 1.00 0.00 H new ATOM 0 HA GLU A 49 4.507 5.493 6.943 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.432 4.620 7.131 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.545 5.476 8.376 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.856 3.458 9.180 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.890 3.267 7.730 1.00 0.00 H new ATOM 742 N GLY A 50 5.273 7.667 5.956 1.00 0.00 N ATOM 743 CA GLY A 50 5.778 8.969 5.441 1.00 0.00 C ATOM 744 C GLY A 50 4.850 9.491 4.343 1.00 0.00 C ATOM 745 O GLY A 50 5.009 10.596 3.863 1.00 0.00 O ATOM 0 H GLY A 50 4.310 7.675 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 50 5.837 9.693 6.254 1.00 0.00 H new ATOM 0 HA3 GLY A 50 6.788 8.848 5.048 1.00 0.00 H new ATOM 749 N LEU A 51 3.883 8.711 3.934 1.00 0.00 N ATOM 750 CA LEU A 51 2.959 9.180 2.864 1.00 0.00 C ATOM 751 C LEU A 51 1.904 10.124 3.481 1.00 0.00 C ATOM 752 O LEU A 51 1.280 9.783 4.467 1.00 0.00 O ATOM 753 CB LEU A 51 2.278 7.957 2.196 1.00 0.00 C ATOM 754 CG LEU A 51 0.953 7.611 2.895 1.00 0.00 C ATOM 755 CD1 LEU A 51 0.213 6.548 2.082 1.00 0.00 C ATOM 756 CD2 LEU A 51 1.235 7.067 4.296 1.00 0.00 C ATOM 0 H LEU A 51 3.695 7.775 4.293 1.00 0.00 H new ATOM 0 HA LEU A 51 3.516 9.726 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.093 8.170 1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.948 7.098 2.234 1.00 0.00 H new ATOM 0 HG LEU A 51 0.341 8.510 2.971 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.727 6.301 2.576 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.008 6.932 1.083 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.830 5.652 2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.293 6.823 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.848 6.169 4.221 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.764 7.821 4.879 1.00 0.00 H new ATOM 768 N PRO A 52 1.739 11.284 2.884 1.00 0.00 N ATOM 769 CA PRO A 52 0.771 12.273 3.371 1.00 0.00 C ATOM 770 C PRO A 52 -0.646 11.701 3.289 1.00 0.00 C ATOM 771 O PRO A 52 -0.862 10.624 2.772 1.00 0.00 O ATOM 772 CB PRO A 52 0.922 13.476 2.427 1.00 0.00 C ATOM 773 CG PRO A 52 1.997 13.103 1.365 1.00 0.00 C ATOM 774 CD PRO A 52 2.498 11.685 1.694 1.00 0.00 C ATOM 0 HA PRO A 52 0.946 12.549 4.411 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -0.028 13.708 1.946 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.223 14.364 2.982 1.00 0.00 H new ATOM 0 HG2 PRO A 52 1.573 13.137 0.361 1.00 0.00 H new ATOM 0 HG3 PRO A 52 2.821 13.816 1.387 1.00 0.00 H new ATOM 0 HD2 PRO A 52 2.322 11.001 0.864 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.570 11.680 1.889 1.00 0.00 H new ATOM 782 N GLU A 53 -1.613 12.414 3.793 1.00 0.00 N ATOM 783 CA GLU A 53 -3.011 11.908 3.739 1.00 0.00 C ATOM 784 C GLU A 53 -3.648 12.330 2.414 1.00 0.00 C ATOM 785 O GLU A 53 -4.598 11.730 1.951 1.00 0.00 O ATOM 786 CB GLU A 53 -3.813 12.495 4.902 1.00 0.00 C ATOM 787 CG GLU A 53 -3.048 12.276 6.209 1.00 0.00 C ATOM 788 CD GLU A 53 -3.211 13.500 7.111 1.00 0.00 C ATOM 789 OE1 GLU A 53 -4.322 13.742 7.551 1.00 0.00 O ATOM 790 OE2 GLU A 53 -2.221 14.173 7.345 1.00 0.00 O ATOM 0 H GLU A 53 -1.496 13.324 4.239 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.010 10.821 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.982 13.560 4.741 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.793 12.021 4.958 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.421 11.386 6.716 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.992 12.104 6.000 1.00 0.00 H new ATOM 797 N SER A 54 -3.130 13.361 1.799 1.00 0.00 N ATOM 798 CA SER A 54 -3.707 13.820 0.504 1.00 0.00 C ATOM 799 C SER A 54 -3.873 12.618 -0.429 1.00 0.00 C ATOM 800 O SER A 54 -4.778 12.569 -1.238 1.00 0.00 O ATOM 801 CB SER A 54 -2.776 14.851 -0.145 1.00 0.00 C ATOM 802 OG SER A 54 -1.575 14.949 0.613 1.00 0.00 O ATOM 0 H SER A 54 -2.335 13.903 2.137 1.00 0.00 H new ATOM 0 HA SER A 54 -4.678 14.281 0.684 1.00 0.00 H new ATOM 0 HB2 SER A 54 -2.549 14.558 -1.170 1.00 0.00 H new ATOM 0 HB3 SER A 54 -3.269 15.822 -0.193 1.00 0.00 H new ATOM 0 HG SER A 54 -0.979 15.607 0.198 1.00 0.00 H new ATOM 808 N THR A 55 -3.008 11.642 -0.320 1.00 0.00 N ATOM 809 CA THR A 55 -3.125 10.440 -1.197 1.00 0.00 C ATOM 810 C THR A 55 -4.293 9.572 -0.695 1.00 0.00 C ATOM 811 O THR A 55 -4.457 9.395 0.496 1.00 0.00 O ATOM 812 CB THR A 55 -1.805 9.638 -1.144 1.00 0.00 C ATOM 813 OG1 THR A 55 -0.894 10.176 -2.096 1.00 0.00 O ATOM 814 CG2 THR A 55 -2.059 8.158 -1.466 1.00 0.00 C ATOM 0 H THR A 55 -2.228 11.626 0.337 1.00 0.00 H new ATOM 0 HA THR A 55 -3.314 10.742 -2.227 1.00 0.00 H new ATOM 0 HB THR A 55 -1.388 9.711 -0.140 1.00 0.00 H new ATOM 0 HG1 THR A 55 -0.054 9.672 -2.066 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.118 7.610 -1.424 1.00 0.00 H new ATOM 0 HG22 THR A 55 -2.755 7.741 -0.738 1.00 0.00 H new ATOM 0 HG23 THR A 55 -2.485 8.071 -2.466 1.00 0.00 H new ATOM 822 N PRO A 56 -5.073 9.060 -1.621 1.00 0.00 N ATOM 823 CA PRO A 56 -6.223 8.214 -1.284 1.00 0.00 C ATOM 824 C PRO A 56 -5.758 6.930 -0.584 1.00 0.00 C ATOM 825 O PRO A 56 -5.333 5.985 -1.219 1.00 0.00 O ATOM 826 CB PRO A 56 -6.882 7.882 -2.632 1.00 0.00 C ATOM 827 CG PRO A 56 -6.016 8.540 -3.749 1.00 0.00 C ATOM 828 CD PRO A 56 -4.864 9.289 -3.058 1.00 0.00 C ATOM 0 HA PRO A 56 -6.912 8.713 -0.602 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -6.939 6.803 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -7.903 8.262 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.627 7.782 -4.429 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.617 9.226 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -3.895 8.909 -3.382 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -4.885 10.353 -3.296 1.00 0.00 H new ATOM 836 N THR A 57 -5.843 6.888 0.720 1.00 0.00 N ATOM 837 CA THR A 57 -5.414 5.662 1.456 1.00 0.00 C ATOM 838 C THR A 57 -6.655 4.874 1.891 1.00 0.00 C ATOM 839 O THR A 57 -7.767 5.352 1.798 1.00 0.00 O ATOM 840 CB THR A 57 -4.601 6.060 2.693 1.00 0.00 C ATOM 841 OG1 THR A 57 -5.268 7.108 3.381 1.00 0.00 O ATOM 842 CG2 THR A 57 -3.209 6.529 2.264 1.00 0.00 C ATOM 0 H THR A 57 -6.190 7.647 1.306 1.00 0.00 H new ATOM 0 HA THR A 57 -4.796 5.044 0.804 1.00 0.00 H new ATOM 0 HB THR A 57 -4.502 5.199 3.354 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.749 7.362 4.173 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.633 6.812 3.145 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.698 5.721 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.303 7.389 1.601 1.00 0.00 H new ATOM 850 N TYR A 58 -6.469 3.674 2.366 1.00 0.00 N ATOM 851 CA TYR A 58 -7.635 2.850 2.810 1.00 0.00 C ATOM 852 C TYR A 58 -8.219 3.443 4.101 1.00 0.00 C ATOM 853 O TYR A 58 -7.484 3.907 4.950 1.00 0.00 O ATOM 854 CB TYR A 58 -7.161 1.417 3.078 1.00 0.00 C ATOM 855 CG TYR A 58 -8.354 0.496 3.169 1.00 0.00 C ATOM 856 CD1 TYR A 58 -8.891 -0.072 2.008 1.00 0.00 C ATOM 857 CD2 TYR A 58 -8.923 0.209 4.415 1.00 0.00 C ATOM 858 CE1 TYR A 58 -9.998 -0.925 2.092 1.00 0.00 C ATOM 859 CE2 TYR A 58 -10.029 -0.642 4.500 1.00 0.00 C ATOM 860 CZ TYR A 58 -10.567 -1.210 3.339 1.00 0.00 C ATOM 861 OH TYR A 58 -11.656 -2.052 3.423 1.00 0.00 O ATOM 0 H TYR A 58 -5.559 3.225 2.467 1.00 0.00 H new ATOM 0 HA TYR A 58 -8.401 2.847 2.034 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -6.496 1.088 2.280 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -6.589 1.380 4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -8.451 0.148 1.046 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -8.507 0.645 5.311 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -10.413 -1.363 1.196 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -10.469 -0.861 5.462 1.00 0.00 H new ATOM 0 HH TYR A 58 -11.926 -2.145 4.360 1.00 0.00 H new ATOM 871 N PRO A 59 -9.529 3.389 4.225 1.00 0.00 N ATOM 872 CA PRO A 59 -10.423 2.924 3.149 1.00 0.00 C ATOM 873 C PRO A 59 -10.443 3.937 1.998 1.00 0.00 C ATOM 874 O PRO A 59 -10.049 5.076 2.154 1.00 0.00 O ATOM 875 CB PRO A 59 -11.811 2.844 3.801 1.00 0.00 C ATOM 876 CG PRO A 59 -11.683 3.425 5.242 1.00 0.00 C ATOM 877 CD PRO A 59 -10.203 3.783 5.464 1.00 0.00 C ATOM 0 HA PRO A 59 -10.102 1.969 2.732 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -12.540 3.411 3.222 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -12.161 1.812 3.833 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -12.313 4.307 5.358 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -12.017 2.696 5.981 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -10.079 4.848 5.659 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.793 3.252 6.323 1.00 0.00 H new ATOM 885 N LEU A 60 -10.907 3.535 0.847 1.00 0.00 N ATOM 886 CA LEU A 60 -10.960 4.479 -0.303 1.00 0.00 C ATOM 887 C LEU A 60 -12.262 5.284 -0.234 1.00 0.00 C ATOM 888 O LEU A 60 -13.238 4.831 0.331 1.00 0.00 O ATOM 889 CB LEU A 60 -10.908 3.699 -1.612 1.00 0.00 C ATOM 890 CG LEU A 60 -9.756 2.695 -1.563 1.00 0.00 C ATOM 891 CD1 LEU A 60 -9.607 2.016 -2.925 1.00 0.00 C ATOM 892 CD2 LEU A 60 -8.457 3.430 -1.216 1.00 0.00 C ATOM 0 H LEU A 60 -11.251 2.594 0.654 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.108 5.157 -0.258 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -11.852 3.178 -1.775 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -10.773 4.383 -2.450 1.00 0.00 H new ATOM 0 HG LEU A 60 -9.965 1.941 -0.804 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -8.785 1.301 -2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -10.531 1.494 -3.174 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -9.399 2.768 -3.686 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.634 2.717 -1.180 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.251 4.184 -1.976 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.561 3.913 -0.244 1.00 0.00 H new ATOM 904 N PRO A 61 -12.233 6.459 -0.814 1.00 0.00 N ATOM 905 CA PRO A 61 -13.401 7.348 -0.834 1.00 0.00 C ATOM 906 C PRO A 61 -14.532 6.768 -1.690 1.00 0.00 C ATOM 907 O PRO A 61 -15.590 7.354 -1.805 1.00 0.00 O ATOM 908 CB PRO A 61 -12.888 8.655 -1.455 1.00 0.00 C ATOM 909 CG PRO A 61 -11.410 8.420 -1.887 1.00 0.00 C ATOM 910 CD PRO A 61 -11.038 6.983 -1.483 1.00 0.00 C ATOM 0 HA PRO A 61 -13.813 7.488 0.165 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -13.498 8.937 -2.313 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -12.952 9.472 -0.736 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -11.297 8.558 -2.962 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.749 9.139 -1.402 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -10.777 6.382 -2.354 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -10.175 6.970 -0.817 1.00 0.00 H new ATOM 918 N ASN A 62 -14.327 5.634 -2.303 1.00 0.00 N ATOM 919 CA ASN A 62 -15.411 5.058 -3.152 1.00 0.00 C ATOM 920 C ASN A 62 -15.258 3.538 -3.279 1.00 0.00 C ATOM 921 O ASN A 62 -15.873 2.921 -4.125 1.00 0.00 O ATOM 922 CB ASN A 62 -15.349 5.690 -4.543 1.00 0.00 C ATOM 923 CG ASN A 62 -16.769 5.889 -5.073 1.00 0.00 C ATOM 924 OD1 ASN A 62 -17.731 5.133 -4.620 1.00 0.00 O flip ATOM 925 ND2 ASN A 62 -17.006 6.740 -5.907 1.00 0.00 N flip ATOM 0 H ASN A 62 -13.468 5.087 -2.255 1.00 0.00 H new ATOM 0 HA ASN A 62 -16.371 5.271 -2.682 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -14.829 6.647 -4.497 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -14.782 5.051 -5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -16.254 7.331 -6.261 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -17.957 6.864 -6.253 1.00 0.00 H new ATOM 932 N LYS A 63 -14.457 2.923 -2.452 1.00 0.00 N ATOM 933 CA LYS A 63 -14.297 1.442 -2.550 1.00 0.00 C ATOM 934 C LYS A 63 -14.462 0.814 -1.165 1.00 0.00 C ATOM 935 O LYS A 63 -13.567 0.850 -0.343 1.00 0.00 O ATOM 936 CB LYS A 63 -12.912 1.104 -3.105 1.00 0.00 C ATOM 937 CG LYS A 63 -13.041 0.689 -4.568 1.00 0.00 C ATOM 938 CD LYS A 63 -13.215 1.937 -5.434 1.00 0.00 C ATOM 939 CE LYS A 63 -13.141 1.554 -6.911 1.00 0.00 C ATOM 940 NZ LYS A 63 -13.237 2.787 -7.742 1.00 0.00 N ATOM 0 H LYS A 63 -13.911 3.376 -1.719 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.058 1.044 -3.221 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.252 1.967 -3.017 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -12.462 0.298 -2.525 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.155 0.136 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.894 0.022 -4.695 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -14.173 2.410 -5.219 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.440 2.666 -5.198 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -12.206 1.034 -7.118 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.950 0.868 -7.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.187 2.532 -8.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -14.140 3.265 -7.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -12.451 3.426 -7.507 1.00 0.00 H new ATOM 954 N SER A 64 -15.602 0.237 -0.905 1.00 0.00 N ATOM 955 CA SER A 64 -15.838 -0.395 0.423 1.00 0.00 C ATOM 956 C SER A 64 -15.784 -1.920 0.277 1.00 0.00 C ATOM 957 O SER A 64 -16.796 -2.592 0.302 1.00 0.00 O ATOM 958 CB SER A 64 -17.214 0.020 0.941 1.00 0.00 C ATOM 959 OG SER A 64 -17.192 1.403 1.271 1.00 0.00 O ATOM 0 H SER A 64 -16.383 0.176 -1.558 1.00 0.00 H new ATOM 0 HA SER A 64 -15.071 -0.071 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 64 -17.974 -0.173 0.184 1.00 0.00 H new ATOM 0 HB3 SER A 64 -17.479 -0.571 1.818 1.00 0.00 H new ATOM 0 HG SER A 64 -18.073 1.674 1.602 1.00 0.00 H new ATOM 965 N CYS A 65 -14.610 -2.468 0.126 1.00 0.00 N ATOM 966 CA CYS A 65 -14.489 -3.947 -0.024 1.00 0.00 C ATOM 967 C CYS A 65 -15.400 -4.642 0.994 1.00 0.00 C ATOM 968 O CYS A 65 -15.638 -4.063 2.042 1.00 0.00 O ATOM 969 CB CYS A 65 -13.036 -4.363 0.219 1.00 0.00 C ATOM 970 SG CYS A 65 -12.913 -6.168 0.231 1.00 0.00 S ATOM 971 OXT CYS A 65 -15.844 -5.741 0.706 1.00 0.00 O ATOM 0 H CYS A 65 -13.728 -1.956 0.100 1.00 0.00 H new ATOM 0 HA CYS A 65 -14.788 -4.238 -1.031 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -12.394 -3.950 -0.559 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -12.686 -3.959 1.169 1.00 0.00 H new TER 976 CYS A 65