USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -177:sc= 0 (180deg=-0.00062) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 1 LEU N :NH3+ -109:sc= 0.603 (180deg=0) USER MOD Set 3.2: A 19 ASN : amide:sc= -0.554 K(o=0.049,f=-6.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -2.02 K(o=-2,f=-7.4!) USER MOD Single : A 5 LYS NZ :NH3+ -112:sc= 0 (180deg=-0.411) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0659) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.429) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -122:sc= 0.773 (180deg=-0.206) USER MOD Single : A 28 SER OG : rot 8:sc= 0.0933 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.09! C(o=-2.1!,f=-9.5!) USER MOD Single : A 46 SER OG : rot 180:sc= 0.543 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -1.31! C(o=-1.3!,f=-5.4!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.99! USER MOD Single : A 60 ASN : amide:sc= -3.42! C(o=-3.4!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.647 12.120 -2.277 1.00 0.00 N ATOM 2 CA LEU A 1 5.653 11.189 -1.162 1.00 0.00 C ATOM 3 C LEU A 1 6.552 9.998 -1.501 1.00 0.00 C ATOM 4 O LEU A 1 6.724 9.660 -2.672 1.00 0.00 O ATOM 5 CB LEU A 1 4.224 10.793 -0.786 1.00 0.00 C ATOM 6 CG LEU A 1 3.761 11.200 0.614 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.671 12.273 0.541 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.309 9.980 1.419 1.00 0.00 C ATOM 0 H1 LEU A 1 6.174 12.978 -2.016 1.00 0.00 H new ATOM 0 H2 LEU A 1 6.097 11.676 -3.103 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.666 12.374 -2.512 1.00 0.00 H new ATOM 0 HA LEU A 1 6.072 11.662 -0.274 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.543 11.233 -1.514 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.132 9.711 -0.877 1.00 0.00 H new ATOM 0 HG LEU A 1 4.610 11.637 1.140 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.360 12.544 1.550 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.062 13.154 0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.815 11.885 -0.011 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.985 10.298 2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.481 9.492 0.906 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.139 9.280 1.516 1.00 0.00 H new ATOM 20 N LYS A 2 7.101 9.395 -0.457 1.00 0.00 N ATOM 21 CA LYS A 2 7.978 8.248 -0.631 1.00 0.00 C ATOM 22 C LYS A 2 7.247 6.981 -0.183 1.00 0.00 C ATOM 23 O LYS A 2 6.976 6.803 1.004 1.00 0.00 O ATOM 24 CB LYS A 2 9.308 8.478 0.089 1.00 0.00 C ATOM 25 CG LYS A 2 10.071 9.651 -0.532 1.00 0.00 C ATOM 26 CD LYS A 2 11.440 9.203 -1.049 1.00 0.00 C ATOM 27 CE LYS A 2 12.513 10.247 -0.734 1.00 0.00 C ATOM 28 NZ LYS A 2 13.715 10.021 -1.568 1.00 0.00 N ATOM 0 H LYS A 2 6.956 9.678 0.512 1.00 0.00 H new ATOM 0 HA LYS A 2 8.230 8.116 -1.683 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.125 8.677 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.916 7.575 0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 2 9.490 10.075 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 2 10.199 10.440 0.209 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.710 8.250 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.391 9.040 -2.126 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.120 11.247 -0.915 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.780 10.196 0.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.434 10.738 -1.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 14.098 9.074 -1.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.458 10.093 -2.573 1.00 0.00 H new ATOM 42 N CYS A 3 6.950 6.132 -1.156 1.00 0.00 N ATOM 43 CA CYS A 3 6.256 4.887 -0.876 1.00 0.00 C ATOM 44 C CYS A 3 7.233 3.731 -1.105 1.00 0.00 C ATOM 45 O CYS A 3 8.102 3.811 -1.972 1.00 0.00 O ATOM 46 CB CYS A 3 4.992 4.741 -1.725 1.00 0.00 C ATOM 47 SG CYS A 3 4.014 6.276 -1.916 1.00 0.00 S ATOM 0 H CYS A 3 7.177 6.282 -2.139 1.00 0.00 H new ATOM 0 HA CYS A 3 5.921 4.880 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.275 4.382 -2.714 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.357 3.976 -1.278 1.00 0.00 H new ATOM 52 N ASN A 4 7.058 2.685 -0.311 1.00 0.00 N ATOM 53 CA ASN A 4 7.914 1.516 -0.416 1.00 0.00 C ATOM 54 C ASN A 4 7.191 0.431 -1.218 1.00 0.00 C ATOM 55 O ASN A 4 5.975 0.491 -1.396 1.00 0.00 O ATOM 56 CB ASN A 4 8.238 0.944 0.966 1.00 0.00 C ATOM 57 CG ASN A 4 8.635 2.056 1.940 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.816 3.204 1.569 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.760 1.652 3.200 1.00 0.00 N ATOM 0 H ASN A 4 6.337 2.623 0.407 1.00 0.00 H new ATOM 0 HA ASN A 4 8.839 1.818 -0.907 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.372 0.408 1.354 1.00 0.00 H new ATOM 0 HB3 ASN A 4 9.050 0.221 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.022 2.319 3.926 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.593 0.675 3.441 1.00 0.00 H new ATOM 66 N LYS A 5 7.970 -0.536 -1.680 1.00 0.00 N ATOM 67 CA LYS A 5 7.420 -1.633 -2.458 1.00 0.00 C ATOM 68 C LYS A 5 6.963 -2.746 -1.513 1.00 0.00 C ATOM 69 O LYS A 5 6.795 -2.518 -0.316 1.00 0.00 O ATOM 70 CB LYS A 5 8.425 -2.097 -3.516 1.00 0.00 C ATOM 71 CG LYS A 5 9.066 -0.902 -4.225 1.00 0.00 C ATOM 72 CD LYS A 5 10.565 -0.832 -3.932 1.00 0.00 C ATOM 73 CE LYS A 5 11.378 -1.390 -5.102 1.00 0.00 C ATOM 74 NZ LYS A 5 11.681 -2.822 -4.886 1.00 0.00 N ATOM 0 H LYS A 5 8.978 -0.583 -1.530 1.00 0.00 H new ATOM 0 HA LYS A 5 6.540 -1.304 -3.010 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.199 -2.704 -3.046 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.923 -2.731 -4.246 1.00 0.00 H new ATOM 0 HG2 LYS A 5 8.905 -0.983 -5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.584 0.020 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 5 10.855 0.202 -3.743 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.789 -1.396 -3.027 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.822 -1.266 -6.031 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.306 -0.828 -5.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.702 -2.941 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.160 -3.165 -4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.394 -3.368 -5.724 1.00 0.00 H new ATOM 88 N LEU A 6 6.775 -3.925 -2.086 1.00 0.00 N ATOM 89 CA LEU A 6 6.342 -5.074 -1.309 1.00 0.00 C ATOM 90 C LEU A 6 7.225 -5.207 -0.067 1.00 0.00 C ATOM 91 O LEU A 6 6.798 -5.759 0.946 1.00 0.00 O ATOM 92 CB LEU A 6 6.314 -6.332 -2.181 1.00 0.00 C ATOM 93 CG LEU A 6 5.645 -7.561 -1.564 1.00 0.00 C ATOM 94 CD1 LEU A 6 4.690 -8.222 -2.559 1.00 0.00 C ATOM 95 CD2 LEU A 6 6.690 -8.544 -1.032 1.00 0.00 C ATOM 0 H LEU A 6 6.915 -4.110 -3.079 1.00 0.00 H new ATOM 0 HA LEU A 6 5.319 -4.933 -0.960 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.801 -6.093 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.340 -6.593 -2.440 1.00 0.00 H new ATOM 0 HG LEU A 6 5.047 -7.234 -0.713 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.227 -9.093 -2.095 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.916 -7.511 -2.848 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.245 -8.534 -3.444 1.00 0.00 H new ATOM 0 HD21 LEU A 6 6.188 -9.409 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 6 7.333 -8.870 -1.850 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.294 -8.055 -0.268 1.00 0.00 H new ATOM 107 N VAL A 7 8.439 -4.690 -0.185 1.00 0.00 N ATOM 108 CA VAL A 7 9.386 -4.744 0.916 1.00 0.00 C ATOM 109 C VAL A 7 9.659 -3.325 1.418 1.00 0.00 C ATOM 110 O VAL A 7 10.017 -2.444 0.637 1.00 0.00 O ATOM 111 CB VAL A 7 10.655 -5.478 0.480 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.737 -5.391 1.559 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.351 -6.934 0.123 1.00 0.00 C ATOM 0 H VAL A 7 8.789 -4.232 -1.026 1.00 0.00 H new ATOM 0 HA VAL A 7 8.970 -5.310 1.750 1.00 0.00 H new ATOM 0 HB VAL A 7 11.036 -4.987 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.629 -5.921 1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.984 -4.345 1.743 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.370 -5.845 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.270 -7.433 -0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 7 9.935 -7.443 0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.631 -6.965 -0.695 1.00 0.00 H new ATOM 123 N PRO A 8 9.478 -3.146 2.718 1.00 0.00 N ATOM 124 CA PRO A 8 10.035 -1.943 3.417 1.00 0.00 C ATOM 125 C PRO A 8 11.581 -1.687 3.430 1.00 0.00 C ATOM 126 O PRO A 8 12.161 -1.420 4.481 1.00 0.00 O ATOM 127 CB PRO A 8 9.446 -2.085 4.838 1.00 0.00 C ATOM 128 CG PRO A 8 8.291 -3.081 4.716 1.00 0.00 C ATOM 129 CD PRO A 8 8.736 -4.040 3.614 1.00 0.00 C ATOM 0 HA PRO A 8 9.751 -1.053 2.855 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.199 -2.445 5.539 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.095 -1.124 5.213 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.118 -3.607 5.655 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.359 -2.580 4.455 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.363 -4.844 4.000 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.889 -4.509 3.114 1.00 0.00 H new ATOM 137 N ILE A 9 12.174 -1.781 2.248 1.00 0.00 N ATOM 138 CA ILE A 9 13.605 -1.567 2.109 1.00 0.00 C ATOM 139 C ILE A 9 13.862 -0.606 0.947 1.00 0.00 C ATOM 140 O ILE A 9 14.648 0.331 1.076 1.00 0.00 O ATOM 141 CB ILE A 9 14.335 -2.905 1.975 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.823 -2.751 2.293 1.00 0.00 C ATOM 143 CG2 ILE A 9 14.105 -3.519 0.593 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.052 -2.628 3.801 1.00 0.00 C ATOM 0 H ILE A 9 11.689 -2.002 1.378 1.00 0.00 H new ATOM 0 HA ILE A 9 14.010 -1.098 3.006 1.00 0.00 H new ATOM 0 HB ILE A 9 13.919 -3.596 2.708 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.372 -3.610 1.907 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.217 -1.869 1.789 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.635 -4.469 0.524 1.00 0.00 H new ATOM 0 HG22 ILE A 9 13.039 -3.686 0.442 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.478 -2.840 -0.174 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.118 -2.520 3.999 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.522 -1.754 4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 9 15.679 -3.523 4.300 1.00 0.00 H new ATOM 156 N ALA A 10 13.186 -0.873 -0.160 1.00 0.00 N ATOM 157 CA ALA A 10 13.332 -0.044 -1.344 1.00 0.00 C ATOM 158 C ALA A 10 12.055 0.772 -1.551 1.00 0.00 C ATOM 159 O ALA A 10 10.954 0.221 -1.548 1.00 0.00 O ATOM 160 CB ALA A 10 13.661 -0.928 -2.550 1.00 0.00 C ATOM 0 H ALA A 10 12.535 -1.652 -0.262 1.00 0.00 H new ATOM 0 HA ALA A 10 14.156 0.659 -1.220 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.770 -0.306 -3.438 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.592 -1.464 -2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 10 12.855 -1.645 -2.706 1.00 0.00 H new ATOM 166 N TYR A 11 12.243 2.072 -1.727 1.00 0.00 N ATOM 167 CA TYR A 11 11.119 2.969 -1.935 1.00 0.00 C ATOM 168 C TYR A 11 11.519 4.153 -2.817 1.00 0.00 C ATOM 169 O TYR A 11 12.682 4.551 -2.838 1.00 0.00 O ATOM 170 CB TYR A 11 10.733 3.489 -0.549 1.00 0.00 C ATOM 171 CG TYR A 11 11.882 4.158 0.208 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.804 3.385 0.884 1.00 0.00 C ATOM 173 CD2 TYR A 11 11.996 5.533 0.215 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.886 4.014 1.596 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.079 6.161 0.927 1.00 0.00 C ATOM 176 CZ TYR A 11 13.971 5.371 1.582 1.00 0.00 C ATOM 177 OH TYR A 11 14.992 5.965 2.255 1.00 0.00 O ATOM 0 H TYR A 11 13.157 2.525 -1.730 1.00 0.00 H new ATOM 0 HA TYR A 11 10.299 2.449 -2.430 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.917 4.204 -0.655 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.354 2.658 0.047 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.714 2.309 0.879 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.274 6.138 -0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.614 3.421 2.129 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.180 7.236 0.940 1.00 0.00 H new ATOM 0 HH TYR A 11 14.927 6.938 2.156 1.00 0.00 H new ATOM 187 N LYS A 12 10.531 4.682 -3.525 1.00 0.00 N ATOM 188 CA LYS A 12 10.765 5.812 -4.407 1.00 0.00 C ATOM 189 C LYS A 12 9.657 6.849 -4.206 1.00 0.00 C ATOM 190 O LYS A 12 8.821 6.705 -3.316 1.00 0.00 O ATOM 191 CB LYS A 12 10.910 5.341 -5.855 1.00 0.00 C ATOM 192 CG LYS A 12 9.591 4.769 -6.380 1.00 0.00 C ATOM 193 CD LYS A 12 9.694 4.431 -7.869 1.00 0.00 C ATOM 194 CE LYS A 12 10.264 3.025 -8.073 1.00 0.00 C ATOM 195 NZ LYS A 12 9.231 2.002 -7.793 1.00 0.00 N ATOM 0 H LYS A 12 9.567 4.349 -3.505 1.00 0.00 H new ATOM 0 HA LYS A 12 11.708 6.299 -4.159 1.00 0.00 H new ATOM 0 HB2 LYS A 12 11.224 6.175 -6.483 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.690 4.583 -5.918 1.00 0.00 H new ATOM 0 HG2 LYS A 12 9.329 3.873 -5.817 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.789 5.490 -6.222 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.709 4.498 -8.330 1.00 0.00 H new ATOM 0 HD3 LYS A 12 10.330 5.162 -8.368 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.624 2.917 -9.096 1.00 0.00 H new ATOM 0 HE3 LYS A 12 11.121 2.875 -7.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 9.562 1.074 -8.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 9.054 1.959 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.351 2.254 -8.286 1.00 0.00 H new ATOM 209 N THR A 13 9.687 7.871 -5.049 1.00 0.00 N ATOM 210 CA THR A 13 8.696 8.932 -4.975 1.00 0.00 C ATOM 211 C THR A 13 7.437 8.539 -5.751 1.00 0.00 C ATOM 212 O THR A 13 7.509 8.218 -6.936 1.00 0.00 O ATOM 213 CB THR A 13 9.345 10.221 -5.480 1.00 0.00 C ATOM 214 OG1 THR A 13 9.805 10.865 -4.295 1.00 0.00 O ATOM 215 CG2 THR A 13 8.325 11.200 -6.065 1.00 0.00 C ATOM 0 H THR A 13 10.382 7.987 -5.787 1.00 0.00 H new ATOM 0 HA THR A 13 8.369 9.098 -3.949 1.00 0.00 H new ATOM 0 HB THR A 13 10.091 9.979 -6.237 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.242 11.710 -4.530 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.838 12.098 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.811 10.732 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.598 11.469 -5.299 1.00 0.00 H new ATOM 223 N CYS A 14 6.312 8.580 -5.051 1.00 0.00 N ATOM 224 CA CYS A 14 5.039 8.233 -5.660 1.00 0.00 C ATOM 225 C CYS A 14 4.689 9.311 -6.687 1.00 0.00 C ATOM 226 O CYS A 14 4.328 10.429 -6.320 1.00 0.00 O ATOM 227 CB CYS A 14 3.939 8.064 -4.611 1.00 0.00 C ATOM 228 SG CYS A 14 4.204 6.688 -3.434 1.00 0.00 S ATOM 0 H CYS A 14 6.256 8.848 -4.068 1.00 0.00 H new ATOM 0 HA CYS A 14 5.122 7.269 -6.162 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.848 8.993 -4.048 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.989 7.908 -5.123 1.00 0.00 H new ATOM 233 N PRO A 15 4.808 8.939 -7.953 1.00 0.00 N ATOM 234 CA PRO A 15 4.823 9.951 -9.057 1.00 0.00 C ATOM 235 C PRO A 15 3.600 10.912 -9.259 1.00 0.00 C ATOM 236 O PRO A 15 2.666 10.911 -8.460 1.00 0.00 O ATOM 237 CB PRO A 15 5.102 9.079 -10.302 1.00 0.00 C ATOM 238 CG PRO A 15 4.628 7.670 -9.940 1.00 0.00 C ATOM 239 CD PRO A 15 4.931 7.540 -8.449 1.00 0.00 C ATOM 0 HA PRO A 15 5.564 10.714 -8.817 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.568 9.459 -11.173 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.163 9.082 -10.552 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.564 7.544 -10.142 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.154 6.912 -10.520 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.227 6.873 -7.952 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.929 7.137 -8.275 1.00 0.00 H new ATOM 247 N GLU A 16 3.672 11.692 -10.329 1.00 0.00 N ATOM 248 CA GLU A 16 2.609 12.632 -10.642 1.00 0.00 C ATOM 249 C GLU A 16 1.264 11.908 -10.714 1.00 0.00 C ATOM 250 O GLU A 16 1.133 10.902 -11.409 1.00 0.00 O ATOM 251 CB GLU A 16 2.903 13.377 -11.945 1.00 0.00 C ATOM 252 CG GLU A 16 1.839 14.441 -12.220 1.00 0.00 C ATOM 253 CD GLU A 16 2.235 15.319 -13.409 1.00 0.00 C ATOM 254 OE1 GLU A 16 3.307 15.956 -13.311 1.00 0.00 O ATOM 255 OE2 GLU A 16 1.459 15.333 -14.388 1.00 0.00 O ATOM 0 H GLU A 16 4.450 11.692 -10.989 1.00 0.00 H new ATOM 0 HA GLU A 16 2.557 13.372 -9.843 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.885 13.846 -11.886 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.937 12.669 -12.773 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.882 13.960 -12.422 1.00 0.00 H new ATOM 0 HG3 GLU A 16 1.703 15.062 -11.334 1.00 0.00 H new ATOM 262 N GLY A 17 0.296 12.450 -9.988 1.00 0.00 N ATOM 263 CA GLY A 17 -1.035 11.868 -9.961 1.00 0.00 C ATOM 264 C GLY A 17 -1.230 11.002 -8.715 1.00 0.00 C ATOM 265 O GLY A 17 -2.306 11.001 -8.117 1.00 0.00 O ATOM 0 H GLY A 17 0.408 13.286 -9.414 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.783 12.661 -9.978 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.190 11.265 -10.855 1.00 0.00 H new ATOM 269 N LYS A 18 -0.174 10.286 -8.360 1.00 0.00 N ATOM 270 CA LYS A 18 -0.216 9.418 -7.195 1.00 0.00 C ATOM 271 C LYS A 18 0.712 9.977 -6.113 1.00 0.00 C ATOM 272 O LYS A 18 1.932 9.893 -6.233 1.00 0.00 O ATOM 273 CB LYS A 18 0.102 7.975 -7.591 1.00 0.00 C ATOM 274 CG LYS A 18 -0.893 7.460 -8.634 1.00 0.00 C ATOM 275 CD LYS A 18 -0.164 6.904 -9.859 1.00 0.00 C ATOM 276 CE LYS A 18 0.047 7.993 -10.913 1.00 0.00 C ATOM 277 NZ LYS A 18 1.138 7.614 -11.837 1.00 0.00 N ATOM 0 H LYS A 18 0.716 10.289 -8.858 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.221 9.395 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.115 7.919 -7.990 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.072 7.337 -6.708 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.517 6.682 -8.194 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.558 8.268 -8.938 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.800 6.493 -9.558 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.740 6.084 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.875 8.149 -11.473 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.287 8.938 -10.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.610 8.472 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.828 7.020 -11.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.744 7.084 -12.640 1.00 0.00 H new ATOM 291 N ASN A 19 0.095 10.535 -5.082 1.00 0.00 N ATOM 292 CA ASN A 19 0.849 11.108 -3.980 1.00 0.00 C ATOM 293 C ASN A 19 0.419 10.441 -2.672 1.00 0.00 C ATOM 294 O ASN A 19 0.712 10.944 -1.589 1.00 0.00 O ATOM 295 CB ASN A 19 0.585 12.610 -3.854 1.00 0.00 C ATOM 296 CG ASN A 19 1.796 13.331 -3.259 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.824 12.740 -2.972 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.618 14.638 -3.091 1.00 0.00 N ATOM 0 H ASN A 19 -0.918 10.603 -4.986 1.00 0.00 H new ATOM 0 HA ASN A 19 1.909 10.943 -4.175 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.355 13.026 -4.835 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.288 12.778 -3.224 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.368 15.209 -2.701 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.732 15.070 -3.353 1.00 0.00 H new ATOM 305 N LEU A 20 -0.268 9.317 -2.816 1.00 0.00 N ATOM 306 CA LEU A 20 -0.740 8.576 -1.660 1.00 0.00 C ATOM 307 C LEU A 20 -0.186 7.150 -1.711 1.00 0.00 C ATOM 308 O LEU A 20 -0.079 6.561 -2.786 1.00 0.00 O ATOM 309 CB LEU A 20 -2.266 8.639 -1.569 1.00 0.00 C ATOM 310 CG LEU A 20 -2.868 10.027 -1.340 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.391 9.994 -1.474 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.424 10.601 0.008 1.00 0.00 C ATOM 0 H LEU A 20 -0.509 8.902 -3.716 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.369 9.030 -0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.682 8.232 -2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.589 7.986 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.491 10.694 -2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.793 10.993 -1.306 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.661 9.657 -2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.806 9.308 -0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.866 11.588 0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.753 9.941 0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.337 10.684 0.028 1.00 0.00 H new ATOM 324 N CYS A 21 0.151 6.638 -0.537 1.00 0.00 N ATOM 325 CA CYS A 21 0.692 5.293 -0.436 1.00 0.00 C ATOM 326 C CYS A 21 -0.335 4.415 0.282 1.00 0.00 C ATOM 327 O CYS A 21 -0.923 4.830 1.280 1.00 0.00 O ATOM 328 CB CYS A 21 2.047 5.281 0.274 1.00 0.00 C ATOM 329 SG CYS A 21 3.156 6.669 -0.164 1.00 0.00 S ATOM 0 H CYS A 21 0.060 7.130 0.352 1.00 0.00 H new ATOM 0 HA CYS A 21 0.874 4.896 -1.434 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.877 5.296 1.351 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.553 4.344 0.044 1.00 0.00 H new ATOM 334 N TYR A 22 -0.522 3.219 -0.255 1.00 0.00 N ATOM 335 CA TYR A 22 -1.468 2.279 0.322 1.00 0.00 C ATOM 336 C TYR A 22 -0.869 0.873 0.396 1.00 0.00 C ATOM 337 O TYR A 22 0.094 0.567 -0.305 1.00 0.00 O ATOM 338 CB TYR A 22 -2.671 2.258 -0.624 1.00 0.00 C ATOM 339 CG TYR A 22 -2.443 1.448 -1.903 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.348 0.073 -1.840 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.334 2.093 -3.117 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.133 -0.690 -3.043 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.120 1.331 -4.320 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.030 -0.023 -4.223 1.00 0.00 C ATOM 345 OH TYR A 22 -1.828 -0.743 -5.360 1.00 0.00 O ATOM 0 H TYR A 22 -0.034 2.879 -1.084 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.737 2.578 1.335 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.530 1.847 -0.094 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.925 3.283 -0.895 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.435 -0.431 -0.889 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.409 3.169 -3.166 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.055 -1.767 -3.008 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.033 1.823 -5.277 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.775 -0.135 -6.127 1.00 0.00 H new ATOM 355 N LYS A 23 -1.463 0.056 1.253 1.00 0.00 N ATOM 356 CA LYS A 23 -1.000 -1.310 1.428 1.00 0.00 C ATOM 357 C LYS A 23 -2.198 -2.217 1.721 1.00 0.00 C ATOM 358 O LYS A 23 -2.831 -2.096 2.768 1.00 0.00 O ATOM 359 CB LYS A 23 0.093 -1.372 2.497 1.00 0.00 C ATOM 360 CG LYS A 23 -0.200 -0.397 3.639 1.00 0.00 C ATOM 361 CD LYS A 23 0.858 -0.506 4.738 1.00 0.00 C ATOM 362 CE LYS A 23 0.733 0.646 5.736 1.00 0.00 C ATOM 363 NZ LYS A 23 1.538 0.373 6.948 1.00 0.00 N ATOM 0 H LYS A 23 -2.261 0.314 1.834 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.539 -1.676 0.511 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.165 -2.386 2.890 1.00 0.00 H new ATOM 0 HB3 LYS A 23 1.058 -1.134 2.050 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.226 0.622 3.254 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.185 -0.605 4.056 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.749 -1.457 5.259 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.853 -0.499 4.292 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.067 1.574 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.313 0.785 6.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.921 0.388 7.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 1.985 -0.562 6.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 2.274 1.101 7.047 1.00 0.00 H new ATOM 377 N MET A 24 -2.472 -3.105 0.777 1.00 0.00 N ATOM 378 CA MET A 24 -3.582 -4.031 0.920 1.00 0.00 C ATOM 379 C MET A 24 -3.140 -5.310 1.634 1.00 0.00 C ATOM 380 O MET A 24 -2.094 -5.874 1.316 1.00 0.00 O ATOM 381 CB MET A 24 -4.134 -4.383 -0.463 1.00 0.00 C ATOM 382 CG MET A 24 -5.170 -3.353 -0.917 1.00 0.00 C ATOM 383 SD MET A 24 -4.447 -2.252 -2.123 1.00 0.00 S ATOM 384 CE MET A 24 -4.675 -3.222 -3.604 1.00 0.00 C ATOM 0 H MET A 24 -1.944 -3.203 -0.090 1.00 0.00 H new ATOM 0 HA MET A 24 -4.356 -3.552 1.519 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.318 -4.426 -1.184 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.588 -5.374 -0.436 1.00 0.00 H new ATOM 0 HG2 MET A 24 -6.034 -3.859 -1.347 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.528 -2.783 -0.060 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.229 -2.702 -4.452 1.00 0.00 H new ATOM 0 HE2 MET A 24 -4.196 -4.193 -3.480 1.00 0.00 H new ATOM 0 HE3 MET A 24 -5.740 -3.364 -3.786 1.00 0.00 H new ATOM 394 N PHE A 25 -3.959 -5.732 2.586 1.00 0.00 N ATOM 395 CA PHE A 25 -3.666 -6.933 3.348 1.00 0.00 C ATOM 396 C PHE A 25 -4.754 -7.990 3.146 1.00 0.00 C ATOM 397 O PHE A 25 -5.921 -7.751 3.450 1.00 0.00 O ATOM 398 CB PHE A 25 -3.631 -6.531 4.823 1.00 0.00 C ATOM 399 CG PHE A 25 -2.482 -5.587 5.185 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.515 -4.289 4.779 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.427 -6.046 5.910 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.449 -3.413 5.114 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.361 -5.170 6.245 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.394 -3.872 5.840 1.00 0.00 C ATOM 0 H PHE A 25 -4.826 -5.263 2.847 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.718 -7.358 3.020 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.576 -6.052 5.081 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.553 -7.431 5.432 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.352 -3.925 4.202 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.400 -7.077 6.231 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.476 -2.382 4.792 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.476 -5.534 6.822 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.417 -3.206 6.095 1.00 0.00 H new ATOM 414 N MET A 26 -4.331 -9.137 2.632 1.00 0.00 N ATOM 415 CA MET A 26 -5.255 -10.231 2.386 1.00 0.00 C ATOM 416 C MET A 26 -5.415 -11.105 3.631 1.00 0.00 C ATOM 417 O MET A 26 -4.519 -11.163 4.472 1.00 0.00 O ATOM 418 CB MET A 26 -4.739 -11.084 1.225 1.00 0.00 C ATOM 419 CG MET A 26 -5.885 -11.511 0.306 1.00 0.00 C ATOM 420 SD MET A 26 -6.069 -13.286 0.346 1.00 0.00 S ATOM 421 CE MET A 26 -4.771 -13.758 -0.782 1.00 0.00 C ATOM 0 H MET A 26 -3.362 -9.332 2.380 1.00 0.00 H new ATOM 0 HA MET A 26 -6.228 -9.810 2.134 1.00 0.00 H new ATOM 0 HB2 MET A 26 -4.002 -10.520 0.654 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.233 -11.967 1.615 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.813 -11.034 0.622 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.687 -11.180 -0.714 1.00 0.00 H new ATOM 0 HE1 MET A 26 -4.746 -14.844 -0.874 1.00 0.00 H new ATOM 0 HE2 MET A 26 -4.960 -13.315 -1.760 1.00 0.00 H new ATOM 0 HE3 MET A 26 -3.813 -13.404 -0.403 1.00 0.00 H new ATOM 431 N MET A 27 -6.562 -11.765 3.710 1.00 0.00 N ATOM 432 CA MET A 27 -6.850 -12.634 4.837 1.00 0.00 C ATOM 433 C MET A 27 -6.863 -11.845 6.148 1.00 0.00 C ATOM 434 O MET A 27 -7.925 -11.605 6.722 1.00 0.00 O ATOM 435 CB MET A 27 -5.791 -13.736 4.916 1.00 0.00 C ATOM 436 CG MET A 27 -5.783 -14.582 3.641 1.00 0.00 C ATOM 437 SD MET A 27 -4.790 -16.044 3.883 1.00 0.00 S ATOM 438 CE MET A 27 -3.654 -15.877 2.517 1.00 0.00 C ATOM 0 H MET A 27 -7.303 -11.715 3.011 1.00 0.00 H new ATOM 0 HA MET A 27 -7.836 -13.075 4.689 1.00 0.00 H new ATOM 0 HB2 MET A 27 -4.808 -13.290 5.067 1.00 0.00 H new ATOM 0 HB3 MET A 27 -5.988 -14.373 5.778 1.00 0.00 H new ATOM 0 HG2 MET A 27 -6.802 -14.865 3.376 1.00 0.00 H new ATOM 0 HG3 MET A 27 -5.388 -13.998 2.810 1.00 0.00 H new ATOM 0 HE1 MET A 27 -2.957 -16.715 2.519 1.00 0.00 H new ATOM 0 HE2 MET A 27 -4.210 -15.870 1.580 1.00 0.00 H new ATOM 0 HE3 MET A 27 -3.100 -14.944 2.617 1.00 0.00 H new ATOM 448 N SER A 28 -5.672 -11.462 6.584 1.00 0.00 N ATOM 449 CA SER A 28 -5.534 -10.705 7.816 1.00 0.00 C ATOM 450 C SER A 28 -4.377 -9.711 7.693 1.00 0.00 C ATOM 451 O SER A 28 -3.369 -10.002 7.049 1.00 0.00 O ATOM 452 CB SER A 28 -5.310 -11.633 9.012 1.00 0.00 C ATOM 453 OG SER A 28 -6.512 -12.286 9.412 1.00 0.00 O ATOM 0 H SER A 28 -4.794 -11.662 6.106 1.00 0.00 H new ATOM 0 HA SER A 28 -6.461 -10.156 7.985 1.00 0.00 H new ATOM 0 HB2 SER A 28 -4.559 -12.380 8.756 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.914 -11.057 9.849 1.00 0.00 H new ATOM 0 HG SER A 28 -7.216 -12.107 8.754 1.00 0.00 H new ATOM 459 N ASP A 29 -4.559 -8.558 8.319 1.00 0.00 N ATOM 460 CA ASP A 29 -3.544 -7.519 8.288 1.00 0.00 C ATOM 461 C ASP A 29 -2.605 -7.694 9.483 1.00 0.00 C ATOM 462 O ASP A 29 -1.473 -7.212 9.463 1.00 0.00 O ATOM 463 CB ASP A 29 -4.174 -6.128 8.381 1.00 0.00 C ATOM 464 CG ASP A 29 -5.492 -6.067 9.157 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.503 -6.543 8.598 1.00 0.00 O ATOM 466 OD2 ASP A 29 -5.456 -5.545 10.292 1.00 0.00 O ATOM 0 H ASP A 29 -5.396 -8.320 8.852 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.002 -7.606 7.346 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.460 -5.453 8.853 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.346 -5.755 7.371 1.00 0.00 H new ATOM 471 N LEU A 30 -3.109 -8.385 10.495 1.00 0.00 N ATOM 472 CA LEU A 30 -2.329 -8.629 11.696 1.00 0.00 C ATOM 473 C LEU A 30 -0.903 -9.022 11.302 1.00 0.00 C ATOM 474 O LEU A 30 0.037 -8.799 12.062 1.00 0.00 O ATOM 475 CB LEU A 30 -3.027 -9.658 12.588 1.00 0.00 C ATOM 476 CG LEU A 30 -4.091 -9.108 13.539 1.00 0.00 C ATOM 477 CD1 LEU A 30 -4.972 -10.234 14.085 1.00 0.00 C ATOM 478 CD2 LEU A 30 -3.452 -8.286 14.660 1.00 0.00 C ATOM 0 H LEU A 30 -4.048 -8.783 10.508 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.256 -7.721 12.294 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.492 -10.408 11.948 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.269 -10.170 13.180 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.739 -8.436 12.976 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.720 -9.816 14.759 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.470 -10.740 13.258 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -4.354 -10.949 14.628 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.230 -7.907 15.322 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -2.768 -8.916 15.228 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.902 -7.449 14.229 1.00 0.00 H new ATOM 490 N THR A 31 -0.790 -9.601 10.116 1.00 0.00 N ATOM 491 CA THR A 31 0.504 -10.027 9.612 1.00 0.00 C ATOM 492 C THR A 31 0.962 -9.113 8.474 1.00 0.00 C ATOM 493 O THR A 31 0.271 -8.157 8.125 1.00 0.00 O ATOM 494 CB THR A 31 0.392 -11.497 9.203 1.00 0.00 C ATOM 495 OG1 THR A 31 -0.488 -11.479 8.082 1.00 0.00 O ATOM 496 CG2 THR A 31 -0.348 -12.339 10.244 1.00 0.00 C ATOM 0 H THR A 31 -1.574 -9.785 9.489 1.00 0.00 H new ATOM 0 HA THR A 31 1.273 -9.946 10.380 1.00 0.00 H new ATOM 0 HB THR A 31 1.390 -11.908 9.046 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.615 -12.393 7.751 1.00 0.00 H new ATOM 0 HG21 THR A 31 -0.400 -13.374 9.905 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.185 -12.295 11.194 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.357 -11.950 10.376 1.00 0.00 H new ATOM 504 N ILE A 32 2.125 -9.438 7.927 1.00 0.00 N ATOM 505 CA ILE A 32 2.683 -8.657 6.837 1.00 0.00 C ATOM 506 C ILE A 32 1.766 -8.768 5.616 1.00 0.00 C ATOM 507 O ILE A 32 1.194 -9.826 5.359 1.00 0.00 O ATOM 508 CB ILE A 32 4.127 -9.078 6.561 1.00 0.00 C ATOM 509 CG1 ILE A 32 5.113 -8.041 7.103 1.00 0.00 C ATOM 510 CG2 ILE A 32 4.345 -9.351 5.071 1.00 0.00 C ATOM 511 CD1 ILE A 32 5.588 -8.418 8.508 1.00 0.00 C ATOM 0 H ILE A 32 2.695 -10.232 8.219 1.00 0.00 H new ATOM 0 HA ILE A 32 2.729 -7.602 7.108 1.00 0.00 H new ATOM 0 HB ILE A 32 4.317 -10.012 7.090 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.970 -7.964 6.434 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.638 -7.060 7.127 1.00 0.00 H new ATOM 0 HG21 ILE A 32 5.380 -9.648 4.903 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.680 -10.152 4.747 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.130 -8.448 4.500 1.00 0.00 H new ATOM 0 HD11 ILE A 32 6.288 -7.665 8.870 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.731 -8.470 9.180 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.084 -9.388 8.476 1.00 0.00 H new ATOM 523 N PRO A 33 1.656 -7.661 4.897 1.00 0.00 N ATOM 524 CA PRO A 33 0.661 -7.561 3.781 1.00 0.00 C ATOM 525 C PRO A 33 0.810 -8.468 2.512 1.00 0.00 C ATOM 526 O PRO A 33 1.576 -9.431 2.518 1.00 0.00 O ATOM 527 CB PRO A 33 0.696 -6.054 3.440 1.00 0.00 C ATOM 528 CG PRO A 33 2.088 -5.566 3.843 1.00 0.00 C ATOM 529 CD PRO A 33 2.448 -6.415 5.061 1.00 0.00 C ATOM 0 HA PRO A 33 -0.291 -7.962 4.129 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.517 -5.890 2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.080 -5.513 3.982 1.00 0.00 H new ATOM 0 HG2 PRO A 33 2.807 -5.704 3.035 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.082 -4.504 4.086 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.517 -6.626 5.095 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.195 -5.904 5.990 1.00 0.00 H new ATOM 537 N VAL A 34 0.063 -8.111 1.477 1.00 0.00 N ATOM 538 CA VAL A 34 0.099 -8.861 0.233 1.00 0.00 C ATOM 539 C VAL A 34 0.606 -7.954 -0.890 1.00 0.00 C ATOM 540 O VAL A 34 1.454 -8.359 -1.683 1.00 0.00 O ATOM 541 CB VAL A 34 -1.279 -9.459 -0.058 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.527 -10.704 0.795 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.383 -8.421 0.155 1.00 0.00 C ATOM 0 H VAL A 34 -0.571 -7.312 1.475 1.00 0.00 H new ATOM 0 HA VAL A 34 0.792 -9.699 0.312 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.299 -9.760 -1.105 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.513 -11.109 0.569 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.767 -11.454 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.478 -10.437 1.851 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.352 -8.872 -0.059 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.363 -8.076 1.189 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.221 -7.575 -0.513 1.00 0.00 H new ATOM 553 N LYS A 35 0.065 -6.745 -0.920 1.00 0.00 N ATOM 554 CA LYS A 35 0.452 -5.777 -1.933 1.00 0.00 C ATOM 555 C LYS A 35 0.371 -4.368 -1.343 1.00 0.00 C ATOM 556 O LYS A 35 -0.400 -4.123 -0.416 1.00 0.00 O ATOM 557 CB LYS A 35 -0.385 -5.963 -3.200 1.00 0.00 C ATOM 558 CG LYS A 35 0.047 -7.215 -3.965 1.00 0.00 C ATOM 559 CD LYS A 35 -0.275 -7.086 -5.455 1.00 0.00 C ATOM 560 CE LYS A 35 -1.285 -8.149 -5.891 1.00 0.00 C ATOM 561 NZ LYS A 35 -1.446 -8.139 -7.363 1.00 0.00 N ATOM 0 H LYS A 35 -0.638 -6.413 -0.259 1.00 0.00 H new ATOM 0 HA LYS A 35 1.487 -5.937 -2.237 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.439 -6.040 -2.935 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.281 -5.087 -3.841 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.117 -7.375 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -0.459 -8.089 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.675 -6.093 -5.660 1.00 0.00 H new ATOM 0 HD3 LYS A 35 0.640 -7.187 -6.039 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.951 -9.133 -5.563 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.247 -7.963 -5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.135 -8.866 -7.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.786 -7.205 -7.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.530 -8.339 -7.814 1.00 0.00 H new ATOM 575 N ARG A 36 1.178 -3.479 -1.904 1.00 0.00 N ATOM 576 CA ARG A 36 1.207 -2.101 -1.444 1.00 0.00 C ATOM 577 C ARG A 36 1.946 -1.221 -2.454 1.00 0.00 C ATOM 578 O ARG A 36 3.038 -1.566 -2.901 1.00 0.00 O ATOM 579 CB ARG A 36 1.893 -1.989 -0.082 1.00 0.00 C ATOM 580 CG ARG A 36 3.290 -2.610 -0.118 1.00 0.00 C ATOM 581 CD ARG A 36 4.273 -1.800 0.731 1.00 0.00 C ATOM 582 NE ARG A 36 4.943 -2.685 1.709 1.00 0.00 N ATOM 583 CZ ARG A 36 4.438 -2.996 2.910 1.00 0.00 C ATOM 584 NH1 ARG A 36 3.254 -2.496 3.289 1.00 0.00 N ATOM 585 NH2 ARG A 36 5.118 -3.806 3.734 1.00 0.00 N ATOM 0 H ARG A 36 1.816 -3.686 -2.672 1.00 0.00 H new ATOM 0 HA ARG A 36 0.176 -1.762 -1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.965 -0.941 0.208 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.289 -2.488 0.675 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.246 -3.635 0.250 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.645 -2.656 -1.148 1.00 0.00 H new ATOM 0 HD2 ARG A 36 5.015 -1.325 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.745 -1.002 1.252 1.00 0.00 H new ATOM 0 HE ARG A 36 5.846 -3.083 1.453 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.737 -1.879 2.663 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.870 -2.733 4.204 1.00 0.00 H new ATOM 0 HH21 ARG A 36 6.020 -4.185 3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.733 -4.043 4.649 1.00 0.00 H new ATOM 599 N GLY A 37 1.321 -0.100 -2.784 1.00 0.00 N ATOM 600 CA GLY A 37 1.906 0.832 -3.733 1.00 0.00 C ATOM 601 C GLY A 37 1.381 2.250 -3.502 1.00 0.00 C ATOM 602 O GLY A 37 0.982 2.596 -2.391 1.00 0.00 O ATOM 0 H GLY A 37 0.415 0.184 -2.411 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.992 0.822 -3.636 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.674 0.515 -4.750 1.00 0.00 H new ATOM 606 N CYS A 38 1.398 3.035 -4.570 1.00 0.00 N ATOM 607 CA CYS A 38 0.929 4.408 -4.498 1.00 0.00 C ATOM 608 C CYS A 38 -0.430 4.488 -5.197 1.00 0.00 C ATOM 609 O CYS A 38 -0.819 3.568 -5.915 1.00 0.00 O ATOM 610 CB CYS A 38 1.941 5.383 -5.104 1.00 0.00 C ATOM 611 SG CYS A 38 3.683 5.061 -4.650 1.00 0.00 S ATOM 0 H CYS A 38 1.730 2.746 -5.490 1.00 0.00 H new ATOM 0 HA CYS A 38 0.818 4.704 -3.455 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.851 5.350 -6.190 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.680 6.395 -4.793 1.00 0.00 H new ATOM 616 N ILE A 39 -1.116 5.597 -4.960 1.00 0.00 N ATOM 617 CA ILE A 39 -2.423 5.809 -5.558 1.00 0.00 C ATOM 618 C ILE A 39 -2.810 7.283 -5.417 1.00 0.00 C ATOM 619 O ILE A 39 -2.098 8.057 -4.779 1.00 0.00 O ATOM 620 CB ILE A 39 -3.449 4.844 -4.960 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.694 4.750 -5.844 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.795 5.233 -3.522 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.240 3.321 -5.873 1.00 0.00 C ATOM 0 H ILE A 39 -0.791 6.357 -4.363 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.395 5.587 -6.625 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.003 3.850 -4.926 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.461 5.429 -5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.450 5.070 -6.857 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.526 4.531 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.893 5.206 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.213 6.240 -3.508 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.125 3.282 -6.508 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.479 2.649 -6.269 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.506 3.012 -4.862 1.00 0.00 H new ATOM 635 N ASP A 40 -3.938 7.626 -6.023 1.00 0.00 N ATOM 636 CA ASP A 40 -4.428 8.993 -5.973 1.00 0.00 C ATOM 637 C ASP A 40 -5.683 9.048 -5.099 1.00 0.00 C ATOM 638 O ASP A 40 -5.914 10.034 -4.399 1.00 0.00 O ATOM 639 CB ASP A 40 -4.801 9.496 -7.369 1.00 0.00 C ATOM 640 CG ASP A 40 -5.301 10.941 -7.423 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.500 11.833 -7.069 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.473 11.122 -7.817 1.00 0.00 O ATOM 0 H ASP A 40 -4.526 6.981 -6.551 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.636 9.621 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.929 9.405 -8.017 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.573 8.845 -7.779 1.00 0.00 H new ATOM 647 N VAL A 41 -6.461 7.978 -5.167 1.00 0.00 N ATOM 648 CA VAL A 41 -7.686 7.893 -4.391 1.00 0.00 C ATOM 649 C VAL A 41 -7.856 6.464 -3.871 1.00 0.00 C ATOM 650 O VAL A 41 -7.788 5.507 -4.640 1.00 0.00 O ATOM 651 CB VAL A 41 -8.872 8.369 -5.232 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.197 8.093 -4.517 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.736 9.850 -5.583 1.00 0.00 C ATOM 0 H VAL A 41 -6.267 7.162 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.636 8.551 -3.523 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.870 7.803 -6.164 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.024 8.441 -5.136 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.300 7.022 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.212 8.619 -3.563 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.592 10.162 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.699 10.439 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.820 10.006 -6.152 1.00 0.00 H new ATOM 663 N CYS A 42 -8.074 6.364 -2.568 1.00 0.00 N ATOM 664 CA CYS A 42 -8.255 5.069 -1.937 1.00 0.00 C ATOM 665 C CYS A 42 -9.539 4.442 -2.484 1.00 0.00 C ATOM 666 O CYS A 42 -10.621 5.007 -2.337 1.00 0.00 O ATOM 667 CB CYS A 42 -8.281 5.182 -0.411 1.00 0.00 C ATOM 668 SG CYS A 42 -7.915 3.626 0.482 1.00 0.00 S ATOM 0 H CYS A 42 -8.129 7.160 -1.932 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.408 4.425 -2.174 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.559 5.939 -0.105 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.265 5.538 -0.104 1.00 0.00 H new ATOM 673 N PRO A 43 -9.376 3.282 -3.103 1.00 0.00 N ATOM 674 CA PRO A 43 -10.542 2.384 -3.380 1.00 0.00 C ATOM 675 C PRO A 43 -11.369 1.779 -2.193 1.00 0.00 C ATOM 676 O PRO A 43 -11.011 1.955 -1.030 1.00 0.00 O ATOM 677 CB PRO A 43 -9.916 1.296 -4.281 1.00 0.00 C ATOM 678 CG PRO A 43 -8.577 1.865 -4.755 1.00 0.00 C ATOM 679 CD PRO A 43 -8.105 2.738 -3.594 1.00 0.00 C ATOM 0 HA PRO A 43 -11.342 2.982 -3.817 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.772 0.367 -3.729 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.565 1.068 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.862 1.071 -4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.694 2.448 -5.669 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.584 2.160 -2.831 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.422 3.522 -3.921 1.00 0.00 H new ATOM 687 N LYS A 44 -12.444 1.092 -2.552 1.00 0.00 N ATOM 688 CA LYS A 44 -13.304 0.476 -1.558 1.00 0.00 C ATOM 689 C LYS A 44 -12.624 -0.781 -1.010 1.00 0.00 C ATOM 690 O LYS A 44 -12.191 -1.640 -1.777 1.00 0.00 O ATOM 691 CB LYS A 44 -14.696 0.218 -2.139 1.00 0.00 C ATOM 692 CG LYS A 44 -15.385 1.531 -2.514 1.00 0.00 C ATOM 693 CD LYS A 44 -15.296 1.787 -4.019 1.00 0.00 C ATOM 694 CE LYS A 44 -16.020 0.693 -4.806 1.00 0.00 C ATOM 695 NZ LYS A 44 -17.284 1.215 -5.374 1.00 0.00 N ATOM 0 H LYS A 44 -12.738 0.949 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.456 1.151 -0.715 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.614 -0.418 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.303 -0.321 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.431 1.497 -2.209 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.922 2.356 -1.973 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.733 2.758 -4.253 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.250 1.827 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.378 0.327 -5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.230 -0.155 -4.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.764 0.460 -5.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.901 1.543 -4.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -17.076 2.009 -6.012 1.00 0.00 H new ATOM 709 N ASN A 45 -12.552 -0.849 0.311 1.00 0.00 N ATOM 710 CA ASN A 45 -11.933 -1.986 0.969 1.00 0.00 C ATOM 711 C ASN A 45 -12.885 -3.183 0.914 1.00 0.00 C ATOM 712 O ASN A 45 -14.066 -3.028 0.612 1.00 0.00 O ATOM 713 CB ASN A 45 -11.643 -1.681 2.440 1.00 0.00 C ATOM 714 CG ASN A 45 -11.005 -2.885 3.136 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.319 -3.692 2.530 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.268 -2.960 4.437 1.00 0.00 N ATOM 0 H ASN A 45 -12.912 -0.135 0.943 1.00 0.00 H new ATOM 0 HA ASN A 45 -10.997 -2.204 0.454 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.978 -0.821 2.512 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.569 -1.412 2.948 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.888 -3.727 4.991 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.850 -2.250 4.881 1.00 0.00 H new ATOM 723 N SER A 46 -12.332 -4.351 1.209 1.00 0.00 N ATOM 724 CA SER A 46 -13.117 -5.574 1.197 1.00 0.00 C ATOM 725 C SER A 46 -13.034 -6.263 2.560 1.00 0.00 C ATOM 726 O SER A 46 -12.344 -5.787 3.459 1.00 0.00 O ATOM 727 CB SER A 46 -12.643 -6.521 0.093 1.00 0.00 C ATOM 728 OG SER A 46 -11.360 -7.074 0.379 1.00 0.00 O ATOM 0 H SER A 46 -11.351 -4.476 1.458 1.00 0.00 H new ATOM 0 HA SER A 46 -14.155 -5.312 0.993 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.366 -7.327 -0.029 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.603 -5.983 -0.854 1.00 0.00 H new ATOM 0 HG SER A 46 -11.093 -7.674 -0.348 1.00 0.00 H new ATOM 734 N LEU A 47 -13.749 -7.373 2.670 1.00 0.00 N ATOM 735 CA LEU A 47 -13.765 -8.133 3.909 1.00 0.00 C ATOM 736 C LEU A 47 -12.654 -9.184 3.872 1.00 0.00 C ATOM 737 O LEU A 47 -12.197 -9.646 4.916 1.00 0.00 O ATOM 738 CB LEU A 47 -15.156 -8.716 4.162 1.00 0.00 C ATOM 739 CG LEU A 47 -15.195 -10.098 4.818 1.00 0.00 C ATOM 740 CD1 LEU A 47 -16.329 -10.188 5.842 1.00 0.00 C ATOM 741 CD2 LEU A 47 -15.286 -11.203 3.764 1.00 0.00 C ATOM 0 H LEU A 47 -14.321 -7.764 1.922 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.559 -7.482 4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.710 -8.021 4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.683 -8.773 3.210 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.260 -10.245 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -16.334 -11.180 6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -16.179 -9.437 6.618 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -17.283 -10.010 5.345 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -15.312 -12.175 4.257 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -16.194 -11.070 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -14.417 -11.152 3.108 1.00 0.00 H new ATOM 753 N LEU A 48 -12.254 -9.533 2.658 1.00 0.00 N ATOM 754 CA LEU A 48 -11.205 -10.522 2.471 1.00 0.00 C ATOM 755 C LEU A 48 -9.842 -9.828 2.513 1.00 0.00 C ATOM 756 O LEU A 48 -8.838 -10.446 2.864 1.00 0.00 O ATOM 757 CB LEU A 48 -11.448 -11.324 1.191 1.00 0.00 C ATOM 758 CG LEU A 48 -11.042 -12.799 1.237 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.551 -12.949 1.545 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.912 -13.576 2.226 1.00 0.00 C ATOM 0 H LEU A 48 -12.637 -9.149 1.794 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.217 -11.249 3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.509 -11.267 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -10.906 -10.844 0.376 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.211 -13.230 0.250 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.290 -14.007 1.572 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.968 -12.451 0.771 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.332 -12.497 2.512 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.603 -14.621 2.239 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.798 -13.151 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.956 -13.511 1.921 1.00 0.00 H new ATOM 772 N VAL A 49 -9.851 -8.554 2.149 1.00 0.00 N ATOM 773 CA VAL A 49 -8.628 -7.770 2.141 1.00 0.00 C ATOM 774 C VAL A 49 -8.837 -6.499 2.966 1.00 0.00 C ATOM 775 O VAL A 49 -9.972 -6.120 3.252 1.00 0.00 O ATOM 776 CB VAL A 49 -8.200 -7.484 0.700 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.829 -6.806 0.661 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.202 -8.764 -0.137 1.00 0.00 C ATOM 0 H VAL A 49 -10.686 -8.045 1.858 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.813 -8.327 2.604 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.926 -6.798 0.264 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.548 -6.613 -0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.874 -5.863 1.206 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.088 -7.458 1.123 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -7.894 -8.532 -1.157 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.508 -9.484 0.297 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.205 -9.189 -0.149 1.00 0.00 H new ATOM 788 N LYS A 50 -7.724 -5.874 3.325 1.00 0.00 N ATOM 789 CA LYS A 50 -7.771 -4.654 4.111 1.00 0.00 C ATOM 790 C LYS A 50 -6.956 -3.567 3.407 1.00 0.00 C ATOM 791 O LYS A 50 -5.739 -3.690 3.270 1.00 0.00 O ATOM 792 CB LYS A 50 -7.323 -4.925 5.548 1.00 0.00 C ATOM 793 CG LYS A 50 -7.685 -3.755 6.466 1.00 0.00 C ATOM 794 CD LYS A 50 -8.526 -4.229 7.653 1.00 0.00 C ATOM 795 CE LYS A 50 -9.333 -3.073 8.248 1.00 0.00 C ATOM 796 NZ LYS A 50 -10.315 -3.580 9.233 1.00 0.00 N ATOM 0 H LYS A 50 -6.785 -6.191 3.085 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.795 -4.288 4.185 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.794 -5.838 5.913 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.246 -5.091 5.572 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.775 -3.277 6.828 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.237 -3.003 5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.202 -5.022 7.331 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -7.876 -4.655 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.661 -2.362 8.728 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -9.850 -2.536 7.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.854 -2.783 9.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -10.967 -4.241 8.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.815 -4.073 10.000 1.00 0.00 H new ATOM 810 N TYR A 51 -7.658 -2.529 2.979 1.00 0.00 N ATOM 811 CA TYR A 51 -7.014 -1.421 2.293 1.00 0.00 C ATOM 812 C TYR A 51 -6.581 -0.340 3.284 1.00 0.00 C ATOM 813 O TYR A 51 -7.419 0.354 3.858 1.00 0.00 O ATOM 814 CB TYR A 51 -8.069 -0.839 1.350 1.00 0.00 C ATOM 815 CG TYR A 51 -8.148 -1.542 -0.007 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.301 -2.912 -0.066 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.066 -0.806 -1.171 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.374 -3.574 -1.343 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.139 -1.468 -2.448 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.290 -2.820 -2.470 1.00 0.00 C ATOM 821 OH TYR A 51 -8.360 -3.445 -3.676 1.00 0.00 O ATOM 0 H TYR A 51 -8.667 -2.431 3.094 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.123 -1.762 1.765 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.044 -0.895 1.834 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.854 0.217 1.188 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.366 -3.488 0.845 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.947 0.266 -1.125 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.493 -4.646 -1.403 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.075 -0.904 -3.367 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.287 -2.781 -4.393 1.00 0.00 H new ATOM 831 N VAL A 52 -5.271 -0.229 3.454 1.00 0.00 N ATOM 832 CA VAL A 52 -4.716 0.756 4.366 1.00 0.00 C ATOM 833 C VAL A 52 -4.015 1.852 3.561 1.00 0.00 C ATOM 834 O VAL A 52 -2.860 1.695 3.165 1.00 0.00 O ATOM 835 CB VAL A 52 -3.792 0.073 5.376 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.605 0.940 6.622 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.317 -1.315 5.748 1.00 0.00 C ATOM 0 H VAL A 52 -4.579 -0.805 2.975 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.509 1.232 4.942 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.817 -0.052 4.906 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.944 0.431 7.324 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.165 1.896 6.337 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.572 1.112 7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.642 -1.779 6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.309 -1.222 6.189 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.374 -1.934 4.853 1.00 0.00 H new ATOM 847 N CYS A 53 -4.741 2.938 3.341 1.00 0.00 N ATOM 848 CA CYS A 53 -4.204 4.059 2.590 1.00 0.00 C ATOM 849 C CYS A 53 -3.628 5.071 3.583 1.00 0.00 C ATOM 850 O CYS A 53 -4.073 5.145 4.728 1.00 0.00 O ATOM 851 CB CYS A 53 -5.260 4.690 1.681 1.00 0.00 C ATOM 852 SG CYS A 53 -5.821 3.626 0.302 1.00 0.00 S ATOM 0 H CYS A 53 -5.698 3.065 3.670 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.412 3.709 1.928 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.125 4.962 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.857 5.615 1.267 1.00 0.00 H new ATOM 857 N CYS A 54 -2.647 5.825 3.109 1.00 0.00 N ATOM 858 CA CYS A 54 -2.005 6.828 3.941 1.00 0.00 C ATOM 859 C CYS A 54 -1.408 7.900 3.028 1.00 0.00 C ATOM 860 O CYS A 54 -1.366 7.730 1.810 1.00 0.00 O ATOM 861 CB CYS A 54 -0.951 6.210 4.862 1.00 0.00 C ATOM 862 SG CYS A 54 -0.356 4.558 4.348 1.00 0.00 S ATOM 0 H CYS A 54 -2.281 5.761 2.159 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.744 7.284 4.599 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.098 6.886 4.920 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.366 6.135 5.867 1.00 0.00 H new ATOM 867 N ASN A 55 -0.960 8.980 3.650 1.00 0.00 N ATOM 868 CA ASN A 55 -0.367 10.080 2.907 1.00 0.00 C ATOM 869 C ASN A 55 0.938 10.503 3.586 1.00 0.00 C ATOM 870 O ASN A 55 1.325 11.669 3.523 1.00 0.00 O ATOM 871 CB ASN A 55 -1.299 11.293 2.879 1.00 0.00 C ATOM 872 CG ASN A 55 -1.329 11.992 4.239 1.00 0.00 C ATOM 873 OD1 ASN A 55 -0.935 11.446 5.256 1.00 0.00 O ATOM 874 ND2 ASN A 55 -1.816 13.230 4.200 1.00 0.00 N ATOM 0 H ASN A 55 -0.995 9.118 4.660 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.188 9.740 1.887 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.967 11.994 2.113 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.306 10.976 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -1.876 13.781 5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -2.129 13.627 3.314 1.00 0.00 H new ATOM 881 N THR A 56 1.581 9.531 4.217 1.00 0.00 N ATOM 882 CA THR A 56 2.834 9.787 4.907 1.00 0.00 C ATOM 883 C THR A 56 3.980 9.034 4.228 1.00 0.00 C ATOM 884 O THR A 56 3.811 7.892 3.804 1.00 0.00 O ATOM 885 CB THR A 56 2.649 9.415 6.379 1.00 0.00 C ATOM 886 OG1 THR A 56 1.961 8.168 6.338 1.00 0.00 O ATOM 887 CG2 THR A 56 1.678 10.351 7.102 1.00 0.00 C ATOM 0 H THR A 56 1.258 8.565 4.265 1.00 0.00 H new ATOM 0 HA THR A 56 3.105 10.842 4.856 1.00 0.00 H new ATOM 0 HB THR A 56 3.616 9.435 6.882 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.801 7.852 7.252 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.583 10.043 8.143 1.00 0.00 H new ATOM 0 HG22 THR A 56 2.057 11.372 7.059 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.702 10.306 6.619 1.00 0.00 H new ATOM 895 N ASP A 57 5.120 9.703 4.147 1.00 0.00 N ATOM 896 CA ASP A 57 6.294 9.111 3.528 1.00 0.00 C ATOM 897 C ASP A 57 6.717 7.876 4.325 1.00 0.00 C ATOM 898 O ASP A 57 6.982 7.968 5.524 1.00 0.00 O ATOM 899 CB ASP A 57 7.466 10.093 3.518 1.00 0.00 C ATOM 900 CG ASP A 57 7.153 11.469 2.927 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.970 11.528 1.692 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.104 12.432 3.723 1.00 0.00 O ATOM 0 H ASP A 57 5.256 10.650 4.500 1.00 0.00 H new ATOM 0 HA ASP A 57 6.037 8.847 2.502 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.818 10.225 4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.286 9.650 2.953 1.00 0.00 H new ATOM 907 N ARG A 58 6.768 6.750 3.630 1.00 0.00 N ATOM 908 CA ARG A 58 7.156 5.498 4.258 1.00 0.00 C ATOM 909 C ARG A 58 6.069 5.035 5.231 1.00 0.00 C ATOM 910 O ARG A 58 6.372 4.501 6.297 1.00 0.00 O ATOM 911 CB ARG A 58 8.477 5.648 5.014 1.00 0.00 C ATOM 912 CG ARG A 58 9.382 6.681 4.338 1.00 0.00 C ATOM 913 CD ARG A 58 10.844 6.476 4.741 1.00 0.00 C ATOM 914 NE ARG A 58 11.141 7.247 5.970 1.00 0.00 N ATOM 915 CZ ARG A 58 12.152 6.968 6.805 1.00 0.00 C ATOM 916 NH1 ARG A 58 12.968 5.938 6.548 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.346 7.721 7.896 1.00 0.00 N ATOM 0 H ARG A 58 6.547 6.678 2.637 1.00 0.00 H new ATOM 0 HA ARG A 58 7.284 4.756 3.470 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.279 5.950 6.042 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.987 4.686 5.057 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.285 6.602 3.255 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.062 7.686 4.614 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.039 5.417 4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.501 6.796 3.933 1.00 0.00 H new ATOM 0 HE ARG A 58 10.539 8.039 6.195 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.820 5.366 5.717 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.737 5.726 7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 58 11.725 8.506 8.091 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.115 7.509 8.532 1.00 0.00 H new ATOM 931 N CYS A 59 4.826 5.255 4.829 1.00 0.00 N ATOM 932 CA CYS A 59 3.693 4.866 5.651 1.00 0.00 C ATOM 933 C CYS A 59 3.523 3.349 5.548 1.00 0.00 C ATOM 934 O CYS A 59 3.183 2.691 6.530 1.00 0.00 O ATOM 935 CB CYS A 59 2.419 5.612 5.249 1.00 0.00 C ATOM 936 SG CYS A 59 1.534 4.901 3.813 1.00 0.00 S ATOM 0 H CYS A 59 4.579 5.698 3.944 1.00 0.00 H new ATOM 0 HA CYS A 59 3.883 5.140 6.689 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.741 5.631 6.103 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.677 6.647 5.023 1.00 0.00 H new ATOM 941 N ASN A 60 3.766 2.839 4.351 1.00 0.00 N ATOM 942 CA ASN A 60 3.644 1.411 4.106 1.00 0.00 C ATOM 943 C ASN A 60 5.019 0.755 4.247 1.00 0.00 C ATOM 944 O ASN A 60 5.212 -0.112 5.097 1.00 0.00 O ATOM 945 CB ASN A 60 3.131 1.137 2.691 1.00 0.00 C ATOM 946 CG ASN A 60 4.215 1.422 1.650 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.300 1.887 1.957 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.862 1.118 0.404 1.00 0.00 N ATOM 0 H ASN A 60 4.047 3.388 3.539 1.00 0.00 H new ATOM 0 HA ASN A 60 2.939 1.003 4.830 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.810 0.098 2.612 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.257 1.757 2.491 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.516 1.271 -0.363 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.937 0.731 0.216 1.00 0.00 H new TER 955 ASN A 60