USER MOD reduce.3.24.130724 H: found=0, std=0, add=488, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 55 ASN : amide:sc= -3.33! K(o=-16!,f=-13) USER MOD Set 1.2: A 60 ASN : amide:sc= -12.7! C(o=-16!,f=-21!) USER MOD Set 2.1: A 22 TYR OH : rot 150:sc= 0.654 USER MOD Set 2.2: A 51 TYR OH : rot -109:sc= 0.99 USER MOD Single : A 1 ARG N :NH3+ -102:sc= 0.00303 (180deg=-0.0624) USER MOD Single : A 2 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.278) USER MOD Single : A 4 ASN : amide:sc= 0.0208 X(o=0.021,f=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot -160:sc= -3.72! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.98 K(o=-0.98,f=-4.2!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -132:sc= -6.77! (180deg=-8.86!) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0.0699 USER MOD Single : A 29 ASN : amide:sc= -1.16 X(o=-1.2,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.21 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= -0.0396 X(o=-0.04,f=-0.19) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 161:sc= -0.138 (180deg=-0.639) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.107 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 -10.457 -7.947 6.885 1.00 0.00 N ATOM 2 CA ARG A 1 -10.727 -6.507 6.612 1.00 0.00 C ATOM 3 C ARG A 1 -10.126 -6.127 5.257 1.00 0.00 C ATOM 4 O ARG A 1 -9.659 -6.968 4.516 1.00 0.00 O ATOM 5 CB ARG A 1 -10.088 -5.652 7.709 1.00 0.00 C ATOM 6 CG ARG A 1 -11.182 -5.052 8.596 1.00 0.00 C ATOM 7 CD ARG A 1 -11.009 -5.557 10.029 1.00 0.00 C ATOM 8 NE ARG A 1 -9.691 -5.108 10.559 1.00 0.00 N ATOM 9 CZ ARG A 1 -9.471 -5.106 11.846 1.00 0.00 C ATOM 10 NH1 ARG A 1 -9.301 -6.234 12.479 1.00 0.00 N ATOM 11 NH2 ARG A 1 -9.418 -3.977 12.498 1.00 0.00 N ATOM 0 H1 ARG A 1 -11.315 -8.503 6.695 1.00 0.00 H new ATOM 0 H2 ARG A 1 -9.687 -8.278 6.270 1.00 0.00 H new ATOM 0 H3 ARG A 1 -10.181 -8.066 7.881 1.00 0.00 H new ATOM 0 HA ARG A 1 -11.803 -6.334 6.596 1.00 0.00 H new ATOM 0 HB2 ARG A 1 -9.411 -6.260 8.310 1.00 0.00 H new ATOM 0 HB3 ARG A 1 -9.491 -4.857 7.263 1.00 0.00 H new ATOM 0 HG2 ARG A 1 -11.127 -3.964 8.573 1.00 0.00 H new ATOM 0 HG3 ARG A 1 -12.166 -5.330 8.217 1.00 0.00 H new ATOM 0 HD2 ARG A 1 -11.814 -5.179 10.659 1.00 0.00 H new ATOM 0 HD3 ARG A 1 -11.071 -6.645 10.052 1.00 0.00 H new ATOM 0 HE ARG A 1 -8.960 -4.802 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 1 -9.340 -7.116 11.968 1.00 0.00 H new ATOM 0 HH12 ARG A 1 -9.129 -6.234 13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 1 -9.549 -3.095 12.002 1.00 0.00 H new ATOM 0 HH22 ARG A 1 -9.246 -3.976 13.503 1.00 0.00 H new ATOM 27 N LYS A 2 -10.134 -4.864 4.930 1.00 0.00 N ATOM 28 CA LYS A 2 -9.561 -4.425 3.623 1.00 0.00 C ATOM 29 C LYS A 2 -8.732 -3.159 3.841 1.00 0.00 C ATOM 30 O LYS A 2 -8.349 -2.843 4.950 1.00 0.00 O ATOM 31 CB LYS A 2 -10.688 -4.132 2.616 1.00 0.00 C ATOM 32 CG LYS A 2 -12.056 -4.214 3.304 1.00 0.00 C ATOM 33 CD LYS A 2 -13.135 -3.671 2.367 1.00 0.00 C ATOM 34 CE LYS A 2 -14.458 -3.551 3.126 1.00 0.00 C ATOM 35 NZ LYS A 2 -14.909 -4.905 3.555 1.00 0.00 N ATOM 0 H LYS A 2 -10.512 -4.116 5.511 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.931 -5.220 3.224 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -10.550 -3.141 2.185 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -10.644 -4.846 1.794 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -12.279 -5.247 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -12.043 -3.641 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -12.837 -2.697 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -13.254 -4.334 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -14.334 -2.905 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -15.213 -3.089 2.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -15.899 -4.857 3.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -14.832 -5.566 2.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -14.311 -5.238 4.338 1.00 0.00 H new ATOM 49 N CYS A 3 -8.455 -2.423 2.798 1.00 0.00 N ATOM 50 CA CYS A 3 -7.659 -1.178 2.964 1.00 0.00 C ATOM 51 C CYS A 3 -8.577 0.023 2.738 1.00 0.00 C ATOM 52 O CYS A 3 -9.204 0.150 1.707 1.00 0.00 O ATOM 53 CB CYS A 3 -6.513 -1.155 1.945 1.00 0.00 C ATOM 54 SG CYS A 3 -6.099 -2.850 1.452 1.00 0.00 S ATOM 0 H CYS A 3 -8.745 -2.631 1.843 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.237 -1.138 3.968 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.803 -0.572 1.071 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.639 -0.668 2.377 1.00 0.00 H new ATOM 59 N ASN A 4 -8.672 0.903 3.692 1.00 0.00 N ATOM 60 CA ASN A 4 -9.560 2.082 3.516 1.00 0.00 C ATOM 61 C ASN A 4 -8.856 3.116 2.643 1.00 0.00 C ATOM 62 O ASN A 4 -9.374 4.188 2.399 1.00 0.00 O ATOM 63 CB ASN A 4 -9.874 2.698 4.883 1.00 0.00 C ATOM 64 CG ASN A 4 -11.054 1.960 5.517 1.00 0.00 C ATOM 65 OD1 ASN A 4 -12.177 2.420 5.455 1.00 0.00 O ATOM 66 ND2 ASN A 4 -10.846 0.828 6.131 1.00 0.00 N ATOM 0 H ASN A 4 -8.176 0.858 4.582 1.00 0.00 H new ATOM 0 HA ASN A 4 -10.489 1.770 3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -9.000 2.634 5.532 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.111 3.756 4.771 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -11.626 0.329 6.559 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -9.903 0.442 6.183 1.00 0.00 H new ATOM 73 N LYS A 5 -7.684 2.805 2.160 1.00 0.00 N ATOM 74 CA LYS A 5 -6.964 3.776 1.298 1.00 0.00 C ATOM 75 C LYS A 5 -6.035 3.047 0.330 1.00 0.00 C ATOM 76 O LYS A 5 -5.363 2.096 0.680 1.00 0.00 O ATOM 77 CB LYS A 5 -6.125 4.723 2.154 1.00 0.00 C ATOM 78 CG LYS A 5 -7.026 5.488 3.125 1.00 0.00 C ATOM 79 CD LYS A 5 -7.266 4.643 4.377 1.00 0.00 C ATOM 80 CE LYS A 5 -6.575 5.296 5.574 1.00 0.00 C ATOM 81 NZ LYS A 5 -7.536 6.194 6.272 1.00 0.00 N ATOM 0 H LYS A 5 -7.198 1.924 2.326 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.708 4.342 0.737 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.376 4.158 2.709 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.587 5.424 1.515 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.562 6.436 3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.976 5.724 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.335 4.551 4.567 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -6.881 3.634 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -6.212 4.531 6.260 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -5.706 5.864 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -7.067 6.639 7.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.862 6.931 5.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -8.352 5.640 6.603 1.00 0.00 H new ATOM 95 N LEU A 6 -5.976 3.520 -0.878 1.00 0.00 N ATOM 96 CA LEU A 6 -5.080 2.916 -1.899 1.00 0.00 C ATOM 97 C LEU A 6 -3.984 3.944 -2.210 1.00 0.00 C ATOM 98 O LEU A 6 -2.922 3.625 -2.708 1.00 0.00 O ATOM 99 CB LEU A 6 -5.904 2.601 -3.157 1.00 0.00 C ATOM 100 CG LEU A 6 -4.994 2.481 -4.381 1.00 0.00 C ATOM 101 CD1 LEU A 6 -4.315 1.110 -4.385 1.00 0.00 C ATOM 102 CD2 LEU A 6 -5.835 2.635 -5.650 1.00 0.00 C ATOM 0 H LEU A 6 -6.521 4.316 -1.209 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.628 1.990 -1.543 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.455 1.671 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.642 3.386 -3.321 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.233 3.260 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.667 1.027 -5.258 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.719 0.996 -3.479 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.074 0.328 -4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -5.191 2.550 -6.526 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.594 1.853 -5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -6.320 3.611 -5.649 1.00 0.00 H new ATOM 114 N VAL A 7 -4.256 5.184 -1.901 1.00 0.00 N ATOM 115 CA VAL A 7 -3.285 6.286 -2.135 1.00 0.00 C ATOM 116 C VAL A 7 -3.701 7.408 -1.155 1.00 0.00 C ATOM 117 O VAL A 7 -4.394 7.111 -0.203 1.00 0.00 O ATOM 118 CB VAL A 7 -3.352 6.724 -3.612 1.00 0.00 C ATOM 119 CG1 VAL A 7 -1.936 6.998 -4.131 1.00 0.00 C ATOM 120 CG2 VAL A 7 -3.960 5.607 -4.469 1.00 0.00 C ATOM 0 H VAL A 7 -5.137 5.484 -1.484 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.249 5.998 -1.956 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.967 7.622 -3.677 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.985 7.307 -5.175 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.478 7.790 -3.539 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.337 6.091 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.002 5.929 -5.510 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.343 4.712 -4.390 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.968 5.386 -4.117 1.00 0.00 H new ATOM 130 N PRO A 8 -3.300 8.646 -1.354 1.00 0.00 N ATOM 131 CA PRO A 8 -3.689 9.712 -0.412 1.00 0.00 C ATOM 132 C PRO A 8 -5.168 10.090 -0.579 1.00 0.00 C ATOM 133 O PRO A 8 -5.728 10.786 0.244 1.00 0.00 O ATOM 134 CB PRO A 8 -2.754 10.873 -0.759 1.00 0.00 C ATOM 135 CG PRO A 8 -2.268 10.622 -2.203 1.00 0.00 C ATOM 136 CD PRO A 8 -2.459 9.118 -2.478 1.00 0.00 C ATOM 0 HA PRO A 8 -3.594 9.410 0.631 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.275 11.827 -0.685 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -1.913 10.915 -0.067 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -2.838 11.221 -2.913 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.222 10.906 -2.314 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -2.946 8.948 -3.438 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.504 8.594 -2.508 1.00 0.00 H new ATOM 144 N LEU A 9 -5.809 9.647 -1.630 1.00 0.00 N ATOM 145 CA LEU A 9 -7.241 10.000 -1.819 1.00 0.00 C ATOM 146 C LEU A 9 -8.017 8.821 -2.441 1.00 0.00 C ATOM 147 O LEU A 9 -8.998 9.015 -3.129 1.00 0.00 O ATOM 148 CB LEU A 9 -7.301 11.245 -2.715 1.00 0.00 C ATOM 149 CG LEU A 9 -7.494 10.869 -4.191 1.00 0.00 C ATOM 150 CD1 LEU A 9 -8.949 11.111 -4.593 1.00 0.00 C ATOM 151 CD2 LEU A 9 -6.580 11.737 -5.058 1.00 0.00 C ATOM 0 H LEU A 9 -5.403 9.060 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.711 10.213 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.120 11.887 -2.392 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -6.382 11.820 -2.602 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.246 9.817 -4.334 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.086 10.844 -5.641 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.604 10.498 -3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.195 12.163 -4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.715 11.472 -6.107 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.832 12.788 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.541 11.570 -4.772 1.00 0.00 H new ATOM 163 N PHE A 10 -7.592 7.603 -2.211 1.00 0.00 N ATOM 164 CA PHE A 10 -8.325 6.439 -2.804 1.00 0.00 C ATOM 165 C PHE A 10 -8.682 5.420 -1.715 1.00 0.00 C ATOM 166 O PHE A 10 -8.559 5.681 -0.536 1.00 0.00 O ATOM 167 CB PHE A 10 -7.444 5.741 -3.842 1.00 0.00 C ATOM 168 CG PHE A 10 -7.032 6.712 -4.923 1.00 0.00 C ATOM 169 CD1 PHE A 10 -6.148 7.756 -4.629 1.00 0.00 C ATOM 170 CD2 PHE A 10 -7.524 6.559 -6.225 1.00 0.00 C ATOM 171 CE1 PHE A 10 -5.755 8.646 -5.638 1.00 0.00 C ATOM 172 CE2 PHE A 10 -7.135 7.450 -7.232 1.00 0.00 C ATOM 173 CZ PHE A 10 -6.250 8.493 -6.938 1.00 0.00 C ATOM 0 H PHE A 10 -6.778 7.365 -1.645 1.00 0.00 H new ATOM 0 HA PHE A 10 -9.235 6.815 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.559 5.329 -3.358 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.985 4.904 -4.283 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.769 7.876 -3.625 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.205 5.752 -6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -5.070 9.450 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -7.518 7.332 -8.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 -5.949 9.180 -7.715 1.00 0.00 H new ATOM 183 N TYR A 11 -9.119 4.253 -2.123 1.00 0.00 N ATOM 184 CA TYR A 11 -9.484 3.175 -1.152 1.00 0.00 C ATOM 185 C TYR A 11 -9.508 1.837 -1.907 1.00 0.00 C ATOM 186 O TYR A 11 -9.744 1.805 -3.098 1.00 0.00 O ATOM 187 CB TYR A 11 -10.867 3.455 -0.562 1.00 0.00 C ATOM 188 CG TYR A 11 -11.867 3.620 -1.682 1.00 0.00 C ATOM 189 CD1 TYR A 11 -12.339 2.495 -2.367 1.00 0.00 C ATOM 190 CD2 TYR A 11 -12.318 4.897 -2.036 1.00 0.00 C ATOM 191 CE1 TYR A 11 -13.263 2.647 -3.408 1.00 0.00 C ATOM 192 CE2 TYR A 11 -13.243 5.049 -3.077 1.00 0.00 C ATOM 193 CZ TYR A 11 -13.715 3.924 -3.762 1.00 0.00 C ATOM 194 OH TYR A 11 -14.626 4.072 -4.788 1.00 0.00 O ATOM 0 H TYR A 11 -9.240 3.999 -3.103 1.00 0.00 H new ATOM 0 HA TYR A 11 -8.757 3.140 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -11.168 2.636 0.091 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -10.838 4.357 0.050 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.991 1.510 -2.093 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -11.953 5.765 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.627 1.779 -3.938 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -13.592 6.034 -3.351 1.00 0.00 H new ATOM 0 HH TYR A 11 -14.836 5.022 -4.905 1.00 0.00 H new ATOM 204 N LYS A 12 -9.266 0.732 -1.245 1.00 0.00 N ATOM 205 CA LYS A 12 -9.283 -0.572 -1.973 1.00 0.00 C ATOM 206 C LYS A 12 -9.525 -1.721 -0.991 1.00 0.00 C ATOM 207 O LYS A 12 -9.315 -1.594 0.196 1.00 0.00 O ATOM 208 CB LYS A 12 -7.936 -0.784 -2.670 1.00 0.00 C ATOM 209 CG LYS A 12 -7.949 -0.109 -4.046 1.00 0.00 C ATOM 210 CD LYS A 12 -9.158 -0.600 -4.846 1.00 0.00 C ATOM 211 CE LYS A 12 -8.824 -0.589 -6.340 1.00 0.00 C ATOM 212 NZ LYS A 12 -9.547 -1.703 -7.018 1.00 0.00 N ATOM 0 H LYS A 12 -9.061 0.677 -0.247 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.085 -0.555 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.132 -0.371 -2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.737 -1.850 -2.780 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.992 0.974 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.028 -0.336 -4.583 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -9.430 -1.607 -4.531 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -10.020 0.039 -4.651 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.110 0.366 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.749 -0.698 -6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.321 -1.697 -8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -9.253 -2.611 -6.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.572 -1.580 -6.891 1.00 0.00 H new ATOM 226 N THR A 13 -9.963 -2.847 -1.486 1.00 0.00 N ATOM 227 CA THR A 13 -10.213 -4.011 -0.590 1.00 0.00 C ATOM 228 C THR A 13 -9.367 -5.198 -1.058 1.00 0.00 C ATOM 229 O THR A 13 -8.680 -5.123 -2.057 1.00 0.00 O ATOM 230 CB THR A 13 -11.697 -4.385 -0.644 1.00 0.00 C ATOM 231 OG1 THR A 13 -11.951 -5.442 0.271 1.00 0.00 O ATOM 232 CG2 THR A 13 -12.063 -4.834 -2.060 1.00 0.00 C ATOM 0 H THR A 13 -10.159 -3.011 -2.474 1.00 0.00 H new ATOM 0 HA THR A 13 -9.943 -3.752 0.434 1.00 0.00 H new ATOM 0 HB THR A 13 -12.300 -3.518 -0.375 1.00 0.00 H new ATOM 0 HG1 THR A 13 -12.786 -5.893 0.026 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.120 -5.100 -2.096 1.00 0.00 H new ATOM 0 HG22 THR A 13 -11.869 -4.022 -2.761 1.00 0.00 H new ATOM 0 HG23 THR A 13 -11.462 -5.701 -2.334 1.00 0.00 H new ATOM 240 N CYS A 14 -9.411 -6.290 -0.347 1.00 0.00 N ATOM 241 CA CYS A 14 -8.606 -7.477 -0.758 1.00 0.00 C ATOM 242 C CYS A 14 -9.533 -8.680 -0.965 1.00 0.00 C ATOM 243 O CYS A 14 -10.518 -8.827 -0.267 1.00 0.00 O ATOM 244 CB CYS A 14 -7.582 -7.802 0.331 1.00 0.00 C ATOM 245 SG CYS A 14 -6.259 -6.568 0.302 1.00 0.00 S ATOM 0 H CYS A 14 -9.968 -6.413 0.499 1.00 0.00 H new ATOM 0 HA CYS A 14 -8.086 -7.256 -1.690 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.065 -7.810 1.308 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.169 -8.798 0.171 1.00 0.00 H new ATOM 250 N PRO A 15 -9.189 -9.505 -1.923 1.00 0.00 N ATOM 251 CA PRO A 15 -9.972 -10.709 -2.256 1.00 0.00 C ATOM 252 C PRO A 15 -9.681 -11.834 -1.258 1.00 0.00 C ATOM 253 O PRO A 15 -8.951 -11.656 -0.302 1.00 0.00 O ATOM 254 CB PRO A 15 -9.475 -11.083 -3.655 1.00 0.00 C ATOM 255 CG PRO A 15 -8.073 -10.445 -3.805 1.00 0.00 C ATOM 256 CD PRO A 15 -7.989 -9.314 -2.763 1.00 0.00 C ATOM 0 HA PRO A 15 -11.049 -10.542 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -9.424 -12.165 -3.773 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.155 -10.711 -4.421 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.291 -11.185 -3.637 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -7.931 -10.054 -4.813 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.075 -9.383 -2.173 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -7.988 -8.333 -3.239 1.00 0.00 H new ATOM 264 N ALA A 16 -10.245 -12.992 -1.473 1.00 0.00 N ATOM 265 CA ALA A 16 -9.998 -14.127 -0.540 1.00 0.00 C ATOM 266 C ALA A 16 -8.659 -14.786 -0.877 1.00 0.00 C ATOM 267 O ALA A 16 -8.289 -15.790 -0.303 1.00 0.00 O ATOM 268 CB ALA A 16 -11.122 -15.156 -0.679 1.00 0.00 C ATOM 0 H ALA A 16 -10.866 -13.200 -2.255 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.971 -13.754 0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -10.941 -15.986 0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -12.076 -14.688 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -11.150 -15.528 -1.703 1.00 0.00 H new ATOM 274 N GLY A 17 -7.927 -14.226 -1.802 1.00 0.00 N ATOM 275 CA GLY A 17 -6.611 -14.820 -2.168 1.00 0.00 C ATOM 276 C GLY A 17 -5.499 -14.039 -1.468 1.00 0.00 C ATOM 277 O GLY A 17 -4.391 -14.516 -1.314 1.00 0.00 O ATOM 0 H GLY A 17 -8.183 -13.385 -2.319 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.577 -15.869 -1.874 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.471 -14.787 -3.248 1.00 0.00 H new ATOM 281 N LYS A 18 -5.789 -12.842 -1.040 1.00 0.00 N ATOM 282 CA LYS A 18 -4.758 -12.024 -0.344 1.00 0.00 C ATOM 283 C LYS A 18 -5.235 -11.712 1.075 1.00 0.00 C ATOM 284 O LYS A 18 -6.242 -12.222 1.525 1.00 0.00 O ATOM 285 CB LYS A 18 -4.547 -10.716 -1.105 1.00 0.00 C ATOM 286 CG LYS A 18 -3.263 -10.804 -1.931 1.00 0.00 C ATOM 287 CD LYS A 18 -3.537 -11.580 -3.221 1.00 0.00 C ATOM 288 CE LYS A 18 -2.896 -10.850 -4.402 1.00 0.00 C ATOM 289 NZ LYS A 18 -1.984 -11.780 -5.126 1.00 0.00 N ATOM 0 H LYS A 18 -6.699 -12.394 -1.143 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.820 -12.577 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.398 -10.522 -1.757 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -4.485 -9.882 -0.405 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.900 -9.803 -2.166 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.481 -11.299 -1.355 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.135 -12.590 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.611 -11.676 -3.379 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.668 -10.481 -5.078 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.341 -9.981 -4.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.548 -11.284 -5.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -1.240 -12.111 -4.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.526 -12.595 -5.476 1.00 0.00 H new ATOM 303 N ASN A 19 -4.525 -10.879 1.789 1.00 0.00 N ATOM 304 CA ASN A 19 -4.954 -10.548 3.176 1.00 0.00 C ATOM 305 C ASN A 19 -4.297 -9.245 3.642 1.00 0.00 C ATOM 306 O ASN A 19 -4.943 -8.384 4.204 1.00 0.00 O ATOM 307 CB ASN A 19 -4.545 -11.683 4.116 1.00 0.00 C ATOM 308 CG ASN A 19 -5.737 -12.614 4.341 1.00 0.00 C ATOM 309 OD1 ASN A 19 -6.871 -12.235 4.117 1.00 0.00 O ATOM 310 ND2 ASN A 19 -5.530 -13.826 4.776 1.00 0.00 N ATOM 0 H ASN A 19 -3.672 -10.417 1.473 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.037 -10.423 3.190 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -3.711 -12.240 3.689 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.203 -11.276 5.068 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.319 -14.455 4.928 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -4.580 -14.145 4.964 1.00 0.00 H new ATOM 317 N LEU A 20 -3.017 -9.095 3.429 1.00 0.00 N ATOM 318 CA LEU A 20 -2.328 -7.853 3.885 1.00 0.00 C ATOM 319 C LEU A 20 -2.585 -6.711 2.906 1.00 0.00 C ATOM 320 O LEU A 20 -3.338 -6.836 1.960 1.00 0.00 O ATOM 321 CB LEU A 20 -0.821 -8.099 3.983 1.00 0.00 C ATOM 322 CG LEU A 20 -0.361 -7.869 5.421 1.00 0.00 C ATOM 323 CD1 LEU A 20 0.176 -9.179 6.002 1.00 0.00 C ATOM 324 CD2 LEU A 20 0.746 -6.814 5.439 1.00 0.00 C ATOM 0 H LEU A 20 -2.420 -9.777 2.960 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.721 -7.581 4.865 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.587 -9.118 3.673 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.288 -7.430 3.308 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.204 -7.524 6.020 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.504 -9.014 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -0.612 -9.932 5.989 1.00 0.00 H new ATOM 0 HD13 LEU A 20 1.018 -9.525 5.403 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.075 -6.649 6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.588 -7.160 4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.365 -5.880 5.026 1.00 0.00 H new ATOM 336 N CYS A 21 -1.950 -5.596 3.137 1.00 0.00 N ATOM 337 CA CYS A 21 -2.130 -4.418 2.244 1.00 0.00 C ATOM 338 C CYS A 21 -0.942 -3.481 2.458 1.00 0.00 C ATOM 339 O CYS A 21 -0.620 -3.123 3.574 1.00 0.00 O ATOM 340 CB CYS A 21 -3.439 -3.706 2.608 1.00 0.00 C ATOM 341 SG CYS A 21 -4.097 -2.827 1.167 1.00 0.00 S ATOM 0 H CYS A 21 -1.307 -5.449 3.915 1.00 0.00 H new ATOM 0 HA CYS A 21 -2.178 -4.724 1.199 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.169 -4.432 2.964 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -3.265 -3.003 3.423 1.00 0.00 H new ATOM 346 N TYR A 22 -0.267 -3.099 1.411 1.00 0.00 N ATOM 347 CA TYR A 22 0.914 -2.211 1.586 1.00 0.00 C ATOM 348 C TYR A 22 0.833 -1.019 0.641 1.00 0.00 C ATOM 349 O TYR A 22 0.111 -1.029 -0.336 1.00 0.00 O ATOM 350 CB TYR A 22 2.188 -2.997 1.273 1.00 0.00 C ATOM 351 CG TYR A 22 2.245 -3.295 -0.207 1.00 0.00 C ATOM 352 CD1 TYR A 22 1.346 -4.206 -0.776 1.00 0.00 C ATOM 353 CD2 TYR A 22 3.195 -2.655 -1.011 1.00 0.00 C ATOM 354 CE1 TYR A 22 1.398 -4.476 -2.149 1.00 0.00 C ATOM 355 CE2 TYR A 22 3.248 -2.926 -2.383 1.00 0.00 C ATOM 356 CZ TYR A 22 2.349 -3.836 -2.952 1.00 0.00 C ATOM 357 OH TYR A 22 2.400 -4.103 -4.305 1.00 0.00 O ATOM 0 H TYR A 22 -0.480 -3.361 0.448 1.00 0.00 H new ATOM 0 HA TYR A 22 0.929 -1.853 2.615 1.00 0.00 H new ATOM 0 HB2 TYR A 22 3.065 -2.424 1.573 1.00 0.00 H new ATOM 0 HB3 TYR A 22 2.204 -3.926 1.843 1.00 0.00 H new ATOM 0 HD1 TYR A 22 0.613 -4.700 -0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.887 -1.952 -0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.705 -5.178 -2.588 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.982 -2.433 -3.003 1.00 0.00 H new ATOM 0 HH TYR A 22 2.724 -3.311 -4.783 1.00 0.00 H new ATOM 367 N LYS A 23 1.594 -0.001 0.917 1.00 0.00 N ATOM 368 CA LYS A 23 1.598 1.188 0.031 1.00 0.00 C ATOM 369 C LYS A 23 2.964 1.266 -0.645 1.00 0.00 C ATOM 370 O LYS A 23 3.985 1.397 0.007 1.00 0.00 O ATOM 371 CB LYS A 23 1.349 2.463 0.846 1.00 0.00 C ATOM 372 CG LYS A 23 0.413 2.165 2.025 1.00 0.00 C ATOM 373 CD LYS A 23 0.613 3.224 3.112 1.00 0.00 C ATOM 374 CE LYS A 23 -0.729 3.531 3.780 1.00 0.00 C ATOM 375 NZ LYS A 23 -0.518 3.755 5.238 1.00 0.00 N ATOM 0 H LYS A 23 2.216 0.057 1.723 1.00 0.00 H new ATOM 0 HA LYS A 23 0.806 1.101 -0.713 1.00 0.00 H new ATOM 0 HB2 LYS A 23 2.296 2.858 1.215 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.910 3.231 0.209 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.624 2.164 1.689 1.00 0.00 H new ATOM 0 HG3 LYS A 23 0.619 1.173 2.426 1.00 0.00 H new ATOM 0 HD2 LYS A 23 1.327 2.868 3.854 1.00 0.00 H new ATOM 0 HD3 LYS A 23 1.031 4.132 2.677 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.179 4.414 3.327 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.422 2.704 3.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.430 3.964 5.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.106 2.901 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.129 4.557 5.376 1.00 0.00 H new ATOM 389 N MET A 24 2.993 1.168 -1.944 1.00 0.00 N ATOM 390 CA MET A 24 4.292 1.220 -2.663 1.00 0.00 C ATOM 391 C MET A 24 4.550 2.643 -3.151 1.00 0.00 C ATOM 392 O MET A 24 3.829 3.165 -3.982 1.00 0.00 O ATOM 393 CB MET A 24 4.250 0.273 -3.865 1.00 0.00 C ATOM 394 CG MET A 24 5.676 -0.076 -4.293 1.00 0.00 C ATOM 395 SD MET A 24 6.455 1.372 -5.048 1.00 0.00 S ATOM 396 CE MET A 24 5.167 1.710 -6.273 1.00 0.00 C ATOM 0 H MET A 24 2.172 1.054 -2.538 1.00 0.00 H new ATOM 0 HA MET A 24 5.091 0.916 -1.986 1.00 0.00 H new ATOM 0 HB2 MET A 24 3.705 -0.635 -3.607 1.00 0.00 H new ATOM 0 HB3 MET A 24 3.716 0.742 -4.692 1.00 0.00 H new ATOM 0 HG2 MET A 24 6.255 -0.405 -3.430 1.00 0.00 H new ATOM 0 HG3 MET A 24 5.661 -0.904 -5.001 1.00 0.00 H new ATOM 0 HE1 MET A 24 5.625 1.863 -7.250 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.481 0.864 -6.323 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.618 2.606 -5.985 1.00 0.00 H new ATOM 406 N PHE A 25 5.583 3.265 -2.644 1.00 0.00 N ATOM 407 CA PHE A 25 5.916 4.651 -3.077 1.00 0.00 C ATOM 408 C PHE A 25 7.335 4.665 -3.644 1.00 0.00 C ATOM 409 O PHE A 25 7.827 3.666 -4.130 1.00 0.00 O ATOM 410 CB PHE A 25 5.851 5.606 -1.884 1.00 0.00 C ATOM 411 CG PHE A 25 4.525 5.466 -1.173 1.00 0.00 C ATOM 412 CD1 PHE A 25 3.379 5.090 -1.883 1.00 0.00 C ATOM 413 CD2 PHE A 25 4.442 5.716 0.200 1.00 0.00 C ATOM 414 CE1 PHE A 25 2.154 4.962 -1.219 1.00 0.00 C ATOM 415 CE2 PHE A 25 3.216 5.588 0.864 1.00 0.00 C ATOM 416 CZ PHE A 25 2.072 5.211 0.153 1.00 0.00 C ATOM 0 H PHE A 25 6.212 2.869 -1.945 1.00 0.00 H new ATOM 0 HA PHE A 25 5.200 4.972 -3.833 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.666 5.392 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.983 6.633 -2.224 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.440 4.899 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.325 6.008 0.749 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.271 4.670 -1.768 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.154 5.780 1.925 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.126 5.112 0.664 1.00 0.00 H new ATOM 426 N MET A 26 8.006 5.786 -3.576 1.00 0.00 N ATOM 427 CA MET A 26 9.397 5.845 -4.111 1.00 0.00 C ATOM 428 C MET A 26 10.275 6.675 -3.172 1.00 0.00 C ATOM 429 O MET A 26 9.787 7.380 -2.312 1.00 0.00 O ATOM 430 CB MET A 26 9.389 6.490 -5.498 1.00 0.00 C ATOM 431 CG MET A 26 10.042 5.544 -6.507 1.00 0.00 C ATOM 432 SD MET A 26 10.888 6.513 -7.781 1.00 0.00 S ATOM 433 CE MET A 26 11.407 5.126 -8.820 1.00 0.00 C ATOM 0 H MET A 26 7.654 6.656 -3.176 1.00 0.00 H new ATOM 0 HA MET A 26 9.796 4.833 -4.183 1.00 0.00 H new ATOM 0 HB2 MET A 26 8.366 6.712 -5.801 1.00 0.00 H new ATOM 0 HB3 MET A 26 9.926 7.438 -5.472 1.00 0.00 H new ATOM 0 HG2 MET A 26 10.752 4.889 -6.001 1.00 0.00 H new ATOM 0 HG3 MET A 26 9.287 4.904 -6.963 1.00 0.00 H new ATOM 0 HE1 MET A 26 11.957 5.503 -9.682 1.00 0.00 H new ATOM 0 HE2 MET A 26 12.048 4.459 -8.243 1.00 0.00 H new ATOM 0 HE3 MET A 26 10.528 4.579 -9.162 1.00 0.00 H new ATOM 443 N VAL A 27 11.567 6.596 -3.334 1.00 0.00 N ATOM 444 CA VAL A 27 12.477 7.382 -2.454 1.00 0.00 C ATOM 445 C VAL A 27 12.714 8.762 -3.073 1.00 0.00 C ATOM 446 O VAL A 27 12.633 9.774 -2.408 1.00 0.00 O ATOM 447 CB VAL A 27 13.811 6.648 -2.310 1.00 0.00 C ATOM 448 CG1 VAL A 27 14.743 7.455 -1.405 1.00 0.00 C ATOM 449 CG2 VAL A 27 13.569 5.270 -1.690 1.00 0.00 C ATOM 0 H VAL A 27 12.032 6.022 -4.037 1.00 0.00 H new ATOM 0 HA VAL A 27 12.022 7.498 -1.470 1.00 0.00 H new ATOM 0 HB VAL A 27 14.269 6.531 -3.292 1.00 0.00 H new ATOM 0 HG11 VAL A 27 15.694 6.932 -1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.915 8.438 -1.844 1.00 0.00 H new ATOM 0 HG13 VAL A 27 14.285 7.572 -0.423 1.00 0.00 H new ATOM 0 HG21 VAL A 27 14.519 4.746 -1.587 1.00 0.00 H new ATOM 0 HG22 VAL A 27 13.111 5.388 -0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.904 4.693 -2.333 1.00 0.00 H new ATOM 459 N SER A 28 13.001 8.808 -4.346 1.00 0.00 N ATOM 460 CA SER A 28 13.237 10.123 -5.007 1.00 0.00 C ATOM 461 C SER A 28 11.942 10.590 -5.675 1.00 0.00 C ATOM 462 O SER A 28 11.960 11.315 -6.650 1.00 0.00 O ATOM 463 CB SER A 28 14.331 9.976 -6.065 1.00 0.00 C ATOM 464 OG SER A 28 14.508 8.599 -6.370 1.00 0.00 O ATOM 0 H SER A 28 13.082 7.994 -4.955 1.00 0.00 H new ATOM 0 HA SER A 28 13.551 10.855 -4.263 1.00 0.00 H new ATOM 0 HB2 SER A 28 14.059 10.527 -6.965 1.00 0.00 H new ATOM 0 HB3 SER A 28 15.265 10.402 -5.700 1.00 0.00 H new ATOM 0 HG SER A 28 15.208 8.502 -7.049 1.00 0.00 H new ATOM 470 N ASN A 29 10.816 10.178 -5.158 1.00 0.00 N ATOM 471 CA ASN A 29 9.520 10.595 -5.763 1.00 0.00 C ATOM 472 C ASN A 29 9.379 12.115 -5.670 1.00 0.00 C ATOM 473 O ASN A 29 10.231 12.796 -5.135 1.00 0.00 O ATOM 474 CB ASN A 29 8.366 9.929 -5.011 1.00 0.00 C ATOM 475 CG ASN A 29 7.115 9.921 -5.892 1.00 0.00 C ATOM 476 OD1 ASN A 29 6.100 10.483 -5.531 1.00 0.00 O ATOM 477 ND2 ASN A 29 7.145 9.305 -7.042 1.00 0.00 N ATOM 0 H ASN A 29 10.738 9.570 -4.342 1.00 0.00 H new ATOM 0 HA ASN A 29 9.494 10.291 -6.809 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.637 8.909 -4.738 1.00 0.00 H new ATOM 0 HB3 ASN A 29 8.166 10.465 -4.083 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.317 9.296 -7.637 1.00 0.00 H new ATOM 0 HD22 ASN A 29 7.997 8.833 -7.346 1.00 0.00 H new ATOM 484 N LEU A 30 8.309 12.653 -6.187 1.00 0.00 N ATOM 485 CA LEU A 30 8.114 14.128 -6.127 1.00 0.00 C ATOM 486 C LEU A 30 7.117 14.467 -5.017 1.00 0.00 C ATOM 487 O LEU A 30 6.733 15.607 -4.844 1.00 0.00 O ATOM 488 CB LEU A 30 7.575 14.626 -7.469 1.00 0.00 C ATOM 489 CG LEU A 30 8.650 14.458 -8.545 1.00 0.00 C ATOM 490 CD1 LEU A 30 8.024 13.856 -9.804 1.00 0.00 C ATOM 491 CD2 LEU A 30 9.251 15.825 -8.878 1.00 0.00 C ATOM 0 H LEU A 30 7.561 12.135 -6.648 1.00 0.00 H new ATOM 0 HA LEU A 30 9.068 14.612 -5.917 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.680 14.067 -7.743 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.285 15.674 -7.390 1.00 0.00 H new ATOM 0 HG LEU A 30 9.433 13.794 -8.177 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.790 13.737 -10.570 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.593 12.883 -9.567 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.242 14.519 -10.174 1.00 0.00 H new ATOM 0 HD21 LEU A 30 10.017 15.709 -9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.467 16.487 -9.246 1.00 0.00 H new ATOM 0 HD23 LEU A 30 9.697 16.255 -7.981 1.00 0.00 H new ATOM 503 N THR A 31 6.693 13.488 -4.264 1.00 0.00 N ATOM 504 CA THR A 31 5.721 13.763 -3.169 1.00 0.00 C ATOM 505 C THR A 31 5.921 12.750 -2.038 1.00 0.00 C ATOM 506 O THR A 31 6.465 13.073 -1.002 1.00 0.00 O ATOM 507 CB THR A 31 4.294 13.658 -3.715 1.00 0.00 C ATOM 508 OG1 THR A 31 4.198 14.401 -4.923 1.00 0.00 O ATOM 509 CG2 THR A 31 3.308 14.222 -2.690 1.00 0.00 C ATOM 0 H THR A 31 6.977 12.513 -4.360 1.00 0.00 H new ATOM 0 HA THR A 31 5.884 14.768 -2.781 1.00 0.00 H new ATOM 0 HB THR A 31 4.055 12.612 -3.907 1.00 0.00 H new ATOM 0 HG1 THR A 31 3.286 14.335 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 31 2.293 14.146 -3.081 1.00 0.00 H new ATOM 0 HG22 THR A 31 3.383 13.654 -1.763 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.544 15.268 -2.495 1.00 0.00 H new ATOM 517 N VAL A 32 5.483 11.530 -2.233 1.00 0.00 N ATOM 518 CA VAL A 32 5.633 10.482 -1.178 1.00 0.00 C ATOM 519 C VAL A 32 4.619 9.359 -1.441 1.00 0.00 C ATOM 520 O VAL A 32 4.979 8.204 -1.466 1.00 0.00 O ATOM 521 CB VAL A 32 5.414 11.108 0.218 1.00 0.00 C ATOM 522 CG1 VAL A 32 4.614 10.167 1.129 1.00 0.00 C ATOM 523 CG2 VAL A 32 6.774 11.380 0.867 1.00 0.00 C ATOM 0 H VAL A 32 5.024 11.214 -3.087 1.00 0.00 H new ATOM 0 HA VAL A 32 6.639 10.064 -1.207 1.00 0.00 H new ATOM 0 HB VAL A 32 4.853 12.034 0.092 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.476 10.635 2.104 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.640 9.968 0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.157 9.229 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.625 11.822 1.852 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.323 10.444 0.968 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.344 12.069 0.243 1.00 0.00 H new ATOM 533 N PRO A 33 3.379 9.729 -1.628 1.00 0.00 N ATOM 534 CA PRO A 33 2.304 8.760 -1.894 1.00 0.00 C ATOM 535 C PRO A 33 2.350 8.314 -3.358 1.00 0.00 C ATOM 536 O PRO A 33 2.664 9.087 -4.241 1.00 0.00 O ATOM 537 CB PRO A 33 1.027 9.548 -1.593 1.00 0.00 C ATOM 538 CG PRO A 33 1.397 11.046 -1.720 1.00 0.00 C ATOM 539 CD PRO A 33 2.930 11.136 -1.589 1.00 0.00 C ATOM 0 HA PRO A 33 2.380 7.851 -1.298 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.234 9.283 -2.292 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.658 9.323 -0.592 1.00 0.00 H new ATOM 0 HG2 PRO A 33 1.066 11.446 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.907 11.633 -0.943 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.366 11.716 -2.402 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.223 11.622 -0.658 1.00 0.00 H new ATOM 547 N VAL A 34 2.043 7.074 -3.625 1.00 0.00 N ATOM 548 CA VAL A 34 2.074 6.593 -5.033 1.00 0.00 C ATOM 549 C VAL A 34 0.957 5.572 -5.265 1.00 0.00 C ATOM 550 O VAL A 34 0.035 5.820 -6.016 1.00 0.00 O ATOM 551 CB VAL A 34 3.427 5.951 -5.339 1.00 0.00 C ATOM 552 CG1 VAL A 34 3.505 5.614 -6.829 1.00 0.00 C ATOM 553 CG2 VAL A 34 4.547 6.930 -4.981 1.00 0.00 C ATOM 0 H VAL A 34 1.773 6.377 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 34 1.924 7.445 -5.696 1.00 0.00 H new ATOM 0 HB VAL A 34 3.538 5.039 -4.752 1.00 0.00 H new ATOM 0 HG11 VAL A 34 4.470 5.156 -7.048 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.706 4.919 -7.087 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.395 6.527 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.513 6.474 -5.199 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.436 7.841 -5.569 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.492 7.174 -3.920 1.00 0.00 H new ATOM 563 N LYS A 35 1.018 4.424 -4.637 1.00 0.00 N ATOM 564 CA LYS A 35 -0.065 3.420 -4.859 1.00 0.00 C ATOM 565 C LYS A 35 -0.129 2.423 -3.697 1.00 0.00 C ATOM 566 O LYS A 35 0.653 2.475 -2.770 1.00 0.00 O ATOM 567 CB LYS A 35 0.200 2.663 -6.162 1.00 0.00 C ATOM 568 CG LYS A 35 1.561 1.969 -6.089 1.00 0.00 C ATOM 569 CD LYS A 35 2.211 1.979 -7.472 1.00 0.00 C ATOM 570 CE LYS A 35 2.590 0.552 -7.873 1.00 0.00 C ATOM 571 NZ LYS A 35 1.921 0.202 -9.158 1.00 0.00 N ATOM 0 H LYS A 35 1.756 4.143 -3.992 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.018 3.946 -4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.586 1.927 -6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.178 3.353 -7.005 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.203 2.478 -5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.440 0.944 -5.739 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.524 2.403 -8.204 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.098 2.612 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.672 0.468 -7.979 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.291 -0.148 -7.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.179 -0.768 -9.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.890 0.266 -9.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.227 0.863 -9.900 1.00 0.00 H new ATOM 585 N ARG A 36 -1.068 1.515 -3.754 1.00 0.00 N ATOM 586 CA ARG A 36 -1.213 0.499 -2.673 1.00 0.00 C ATOM 587 C ARG A 36 -1.816 -0.777 -3.267 1.00 0.00 C ATOM 588 O ARG A 36 -2.427 -0.752 -4.317 1.00 0.00 O ATOM 589 CB ARG A 36 -2.149 1.034 -1.586 1.00 0.00 C ATOM 590 CG ARG A 36 -1.356 1.878 -0.587 1.00 0.00 C ATOM 591 CD ARG A 36 -2.315 2.768 0.204 1.00 0.00 C ATOM 592 NE ARG A 36 -1.751 4.144 0.300 1.00 0.00 N ATOM 593 CZ ARG A 36 -2.334 5.038 1.053 1.00 0.00 C ATOM 594 NH1 ARG A 36 -3.214 4.669 1.943 1.00 0.00 N ATOM 595 NH2 ARG A 36 -2.036 6.301 0.915 1.00 0.00 N ATOM 0 H ARG A 36 -1.746 1.434 -4.511 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.236 0.286 -2.239 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.939 1.635 -2.037 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.634 0.205 -1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -0.800 1.231 0.092 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.624 2.491 -1.113 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.289 2.796 -0.285 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.471 2.357 1.201 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.910 4.388 -0.222 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.447 3.682 2.051 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.669 5.368 2.531 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.348 6.590 0.219 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.491 7.000 1.503 1.00 0.00 H new ATOM 609 N GLY A 37 -1.653 -1.891 -2.609 1.00 0.00 N ATOM 610 CA GLY A 37 -2.223 -3.159 -3.146 1.00 0.00 C ATOM 611 C GLY A 37 -2.343 -4.186 -2.019 1.00 0.00 C ATOM 612 O GLY A 37 -1.979 -3.928 -0.891 1.00 0.00 O ATOM 0 H GLY A 37 -1.151 -1.979 -1.725 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.202 -2.971 -3.586 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -1.586 -3.548 -3.940 1.00 0.00 H new ATOM 616 N CYS A 38 -2.847 -5.351 -2.318 1.00 0.00 N ATOM 617 CA CYS A 38 -2.983 -6.396 -1.266 1.00 0.00 C ATOM 618 C CYS A 38 -1.659 -7.149 -1.136 1.00 0.00 C ATOM 619 O CYS A 38 -0.730 -6.915 -1.885 1.00 0.00 O ATOM 620 CB CYS A 38 -4.096 -7.369 -1.656 1.00 0.00 C ATOM 621 SG CYS A 38 -5.686 -6.504 -1.634 1.00 0.00 S ATOM 0 H CYS A 38 -3.171 -5.624 -3.246 1.00 0.00 H new ATOM 0 HA CYS A 38 -3.233 -5.931 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.906 -7.778 -2.648 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.118 -8.210 -0.963 1.00 0.00 H new ATOM 626 N ILE A 39 -1.553 -8.041 -0.190 1.00 0.00 N ATOM 627 CA ILE A 39 -0.273 -8.786 -0.026 1.00 0.00 C ATOM 628 C ILE A 39 -0.541 -10.141 0.641 1.00 0.00 C ATOM 629 O ILE A 39 -1.584 -10.368 1.219 1.00 0.00 O ATOM 630 CB ILE A 39 0.680 -7.931 0.828 1.00 0.00 C ATOM 631 CG1 ILE A 39 1.589 -7.127 -0.098 1.00 0.00 C ATOM 632 CG2 ILE A 39 1.549 -8.802 1.740 1.00 0.00 C ATOM 633 CD1 ILE A 39 2.517 -6.250 0.742 1.00 0.00 C ATOM 0 H ILE A 39 -2.290 -8.285 0.471 1.00 0.00 H new ATOM 0 HA ILE A 39 0.185 -8.976 -0.997 1.00 0.00 H new ATOM 0 HB ILE A 39 0.079 -7.271 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.174 -7.799 -0.725 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.991 -6.508 -0.766 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.210 -8.166 2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.910 -9.379 2.409 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.146 -9.482 1.133 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.168 -5.674 0.084 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.922 -5.569 1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.124 -6.881 1.392 1.00 0.00 H new ATOM 645 N ASP A 40 0.404 -11.038 0.565 1.00 0.00 N ATOM 646 CA ASP A 40 0.223 -12.376 1.195 1.00 0.00 C ATOM 647 C ASP A 40 1.320 -12.579 2.243 1.00 0.00 C ATOM 648 O ASP A 40 1.120 -13.225 3.252 1.00 0.00 O ATOM 649 CB ASP A 40 0.329 -13.464 0.124 1.00 0.00 C ATOM 650 CG ASP A 40 -0.494 -14.682 0.548 1.00 0.00 C ATOM 651 OD1 ASP A 40 -1.692 -14.674 0.312 1.00 0.00 O ATOM 652 OD2 ASP A 40 0.087 -15.601 1.101 1.00 0.00 O ATOM 0 H ASP A 40 1.297 -10.901 0.092 1.00 0.00 H new ATOM 0 HA ASP A 40 -0.757 -12.435 1.668 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.031 -13.084 -0.832 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.372 -13.748 -0.018 1.00 0.00 H new ATOM 657 N VAL A 41 2.475 -12.020 2.008 1.00 0.00 N ATOM 658 CA VAL A 41 3.594 -12.161 2.982 1.00 0.00 C ATOM 659 C VAL A 41 4.414 -10.869 2.983 1.00 0.00 C ATOM 660 O VAL A 41 4.715 -10.316 1.944 1.00 0.00 O ATOM 661 CB VAL A 41 4.488 -13.334 2.572 1.00 0.00 C ATOM 662 CG1 VAL A 41 5.192 -13.003 1.254 1.00 0.00 C ATOM 663 CG2 VAL A 41 5.536 -13.581 3.659 1.00 0.00 C ATOM 0 H VAL A 41 2.693 -11.468 1.178 1.00 0.00 H new ATOM 0 HA VAL A 41 3.195 -12.348 3.979 1.00 0.00 H new ATOM 0 HB VAL A 41 3.877 -14.228 2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.829 -13.838 0.962 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.447 -12.826 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.802 -12.109 1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.173 -14.416 3.367 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.146 -12.687 3.786 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.037 -13.816 4.599 1.00 0.00 H new ATOM 673 N CYS A 42 4.774 -10.376 4.137 1.00 0.00 N ATOM 674 CA CYS A 42 5.566 -9.114 4.185 1.00 0.00 C ATOM 675 C CYS A 42 6.942 -9.383 4.800 1.00 0.00 C ATOM 676 O CYS A 42 7.125 -9.237 5.993 1.00 0.00 O ATOM 677 CB CYS A 42 4.825 -8.077 5.032 1.00 0.00 C ATOM 678 SG CYS A 42 5.674 -6.483 4.907 1.00 0.00 S ATOM 0 H CYS A 42 4.556 -10.790 5.043 1.00 0.00 H new ATOM 0 HA CYS A 42 5.694 -8.735 3.171 1.00 0.00 H new ATOM 0 HB2 CYS A 42 3.795 -7.981 4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.787 -8.401 6.072 1.00 0.00 H new ATOM 683 N PRO A 43 7.873 -9.760 3.961 1.00 0.00 N ATOM 684 CA PRO A 43 9.253 -10.048 4.383 1.00 0.00 C ATOM 685 C PRO A 43 10.028 -8.740 4.570 1.00 0.00 C ATOM 686 O PRO A 43 10.349 -8.349 5.674 1.00 0.00 O ATOM 687 CB PRO A 43 9.824 -10.855 3.213 1.00 0.00 C ATOM 688 CG PRO A 43 8.962 -10.501 1.977 1.00 0.00 C ATOM 689 CD PRO A 43 7.634 -9.936 2.513 1.00 0.00 C ATOM 0 HA PRO A 43 9.313 -10.582 5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 43 10.871 -10.603 3.042 1.00 0.00 H new ATOM 0 HB3 PRO A 43 9.783 -11.924 3.422 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.469 -9.769 1.348 1.00 0.00 H new ATOM 0 HG3 PRO A 43 8.787 -11.383 1.361 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.381 -8.990 2.033 1.00 0.00 H new ATOM 0 HD3 PRO A 43 6.806 -10.620 2.326 1.00 0.00 H new ATOM 697 N LYS A 44 10.325 -8.058 3.495 1.00 0.00 N ATOM 698 CA LYS A 44 11.072 -6.774 3.605 1.00 0.00 C ATOM 699 C LYS A 44 10.720 -5.880 2.414 1.00 0.00 C ATOM 700 O LYS A 44 9.873 -6.209 1.608 1.00 0.00 O ATOM 701 CB LYS A 44 12.576 -7.056 3.605 1.00 0.00 C ATOM 702 CG LYS A 44 12.873 -8.239 2.683 1.00 0.00 C ATOM 703 CD LYS A 44 14.321 -8.159 2.198 1.00 0.00 C ATOM 704 CE LYS A 44 15.131 -9.302 2.810 1.00 0.00 C ATOM 705 NZ LYS A 44 16.579 -9.095 2.524 1.00 0.00 N ATOM 0 H LYS A 44 10.081 -8.337 2.545 1.00 0.00 H new ATOM 0 HA LYS A 44 10.798 -6.271 4.533 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.122 -6.174 3.270 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.916 -7.276 4.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 12.708 -9.177 3.213 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.192 -8.230 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.354 -8.218 1.110 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.757 -7.200 2.479 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.965 -9.344 3.886 1.00 0.00 H new ATOM 0 HE3 LYS A 44 14.801 -10.256 2.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.130 -9.873 2.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 16.730 -9.076 1.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.889 -8.192 2.936 1.00 0.00 H new ATOM 719 N ASN A 45 11.362 -4.749 2.296 1.00 0.00 N ATOM 720 CA ASN A 45 11.060 -3.838 1.155 1.00 0.00 C ATOM 721 C ASN A 45 12.352 -3.520 0.399 1.00 0.00 C ATOM 722 O ASN A 45 13.440 -3.809 0.858 1.00 0.00 O ATOM 723 CB ASN A 45 10.448 -2.540 1.687 1.00 0.00 C ATOM 724 CG ASN A 45 11.188 -2.103 2.952 1.00 0.00 C ATOM 725 OD1 ASN A 45 10.830 -2.496 4.045 1.00 0.00 O ATOM 726 ND2 ASN A 45 12.212 -1.300 2.851 1.00 0.00 N ATOM 0 H ASN A 45 12.081 -4.417 2.939 1.00 0.00 H new ATOM 0 HA ASN A 45 10.355 -4.323 0.480 1.00 0.00 H new ATOM 0 HB2 ASN A 45 10.511 -1.759 0.929 1.00 0.00 H new ATOM 0 HB3 ASN A 45 9.390 -2.688 1.905 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.711 -1.003 3.689 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.513 -0.970 1.934 1.00 0.00 H new ATOM 733 N SER A 46 12.243 -2.930 -0.761 1.00 0.00 N ATOM 734 CA SER A 46 13.464 -2.598 -1.546 1.00 0.00 C ATOM 735 C SER A 46 13.928 -1.182 -1.195 1.00 0.00 C ATOM 736 O SER A 46 13.181 -0.391 -0.654 1.00 0.00 O ATOM 737 CB SER A 46 13.146 -2.676 -3.041 1.00 0.00 C ATOM 738 OG SER A 46 13.578 -3.932 -3.548 1.00 0.00 O ATOM 0 H SER A 46 11.361 -2.664 -1.198 1.00 0.00 H new ATOM 0 HA SER A 46 14.255 -3.308 -1.305 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.075 -2.554 -3.204 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.644 -1.865 -3.573 1.00 0.00 H new ATOM 0 HG SER A 46 13.374 -3.986 -4.505 1.00 0.00 H new ATOM 744 N ALA A 47 15.155 -0.858 -1.497 1.00 0.00 N ATOM 745 CA ALA A 47 15.667 0.505 -1.180 1.00 0.00 C ATOM 746 C ALA A 47 15.202 1.491 -2.254 1.00 0.00 C ATOM 747 O ALA A 47 15.551 2.655 -2.235 1.00 0.00 O ATOM 748 CB ALA A 47 17.197 0.479 -1.142 1.00 0.00 C ATOM 0 H ALA A 47 15.826 -1.479 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 47 15.283 0.819 -0.209 1.00 0.00 H new ATOM 0 HB1 ALA A 47 17.572 1.476 -0.910 1.00 0.00 H new ATOM 0 HB2 ALA A 47 17.530 -0.221 -0.376 1.00 0.00 H new ATOM 0 HB3 ALA A 47 17.580 0.164 -2.113 1.00 0.00 H new ATOM 754 N LEU A 48 14.419 1.036 -3.195 1.00 0.00 N ATOM 755 CA LEU A 48 13.938 1.951 -4.268 1.00 0.00 C ATOM 756 C LEU A 48 12.432 2.179 -4.112 1.00 0.00 C ATOM 757 O LEU A 48 11.945 3.283 -4.254 1.00 0.00 O ATOM 758 CB LEU A 48 14.219 1.321 -5.635 1.00 0.00 C ATOM 759 CG LEU A 48 15.445 1.987 -6.262 1.00 0.00 C ATOM 760 CD1 LEU A 48 16.404 0.912 -6.776 1.00 0.00 C ATOM 761 CD2 LEU A 48 15.001 2.869 -7.432 1.00 0.00 C ATOM 0 H LEU A 48 14.093 0.072 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 48 14.458 2.906 -4.191 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.390 0.250 -5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.354 1.441 -6.287 1.00 0.00 H new ATOM 0 HG LEU A 48 15.949 2.597 -5.513 1.00 0.00 H new ATOM 0 HD11 LEU A 48 17.277 1.387 -7.223 1.00 0.00 H new ATOM 0 HD12 LEU A 48 16.720 0.279 -5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 48 15.899 0.303 -7.526 1.00 0.00 H new ATOM 0 HD21 LEU A 48 15.873 3.345 -7.880 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.498 2.256 -8.179 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.316 3.635 -7.070 1.00 0.00 H new ATOM 773 N VAL A 49 11.692 1.145 -3.818 1.00 0.00 N ATOM 774 CA VAL A 49 10.219 1.305 -3.652 1.00 0.00 C ATOM 775 C VAL A 49 9.874 1.326 -2.163 1.00 0.00 C ATOM 776 O VAL A 49 10.301 0.474 -1.408 1.00 0.00 O ATOM 777 CB VAL A 49 9.497 0.131 -4.314 1.00 0.00 C ATOM 778 CG1 VAL A 49 9.680 0.200 -5.831 1.00 0.00 C ATOM 779 CG2 VAL A 49 10.080 -1.183 -3.789 1.00 0.00 C ATOM 0 H VAL A 49 12.043 0.197 -3.686 1.00 0.00 H new ATOM 0 HA VAL A 49 9.905 2.239 -4.118 1.00 0.00 H new ATOM 0 HB VAL A 49 8.434 0.181 -4.078 1.00 0.00 H new ATOM 0 HG11 VAL A 49 9.164 -0.639 -6.298 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.265 1.136 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 10.742 0.152 -6.072 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.567 -2.022 -4.259 1.00 0.00 H new ATOM 0 HG22 VAL A 49 11.143 -1.229 -4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 49 9.945 -1.235 -2.709 1.00 0.00 H new ATOM 789 N LYS A 50 9.098 2.279 -1.733 1.00 0.00 N ATOM 790 CA LYS A 50 8.725 2.331 -0.292 1.00 0.00 C ATOM 791 C LYS A 50 7.599 1.329 -0.044 1.00 0.00 C ATOM 792 O LYS A 50 6.440 1.613 -0.275 1.00 0.00 O ATOM 793 CB LYS A 50 8.248 3.738 0.072 1.00 0.00 C ATOM 794 CG LYS A 50 9.196 4.777 -0.535 1.00 0.00 C ATOM 795 CD LYS A 50 10.169 5.268 0.537 1.00 0.00 C ATOM 796 CE LYS A 50 9.768 6.674 0.988 1.00 0.00 C ATOM 797 NZ LYS A 50 8.330 6.675 1.386 1.00 0.00 N ATOM 0 H LYS A 50 8.707 3.021 -2.313 1.00 0.00 H new ATOM 0 HA LYS A 50 9.590 2.083 0.323 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.235 3.896 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.213 3.852 1.155 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.747 4.340 -1.368 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.626 5.615 -0.935 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.163 4.587 1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 50 11.185 5.277 0.143 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.389 6.990 1.826 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.934 7.388 0.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 8.135 7.506 1.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.734 6.711 0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.117 5.809 1.921 1.00 0.00 H new ATOM 811 N TYR A 51 7.930 0.153 0.410 1.00 0.00 N ATOM 812 CA TYR A 51 6.879 -0.872 0.657 1.00 0.00 C ATOM 813 C TYR A 51 6.396 -0.792 2.105 1.00 0.00 C ATOM 814 O TYR A 51 7.067 -1.233 3.017 1.00 0.00 O ATOM 815 CB TYR A 51 7.462 -2.263 0.400 1.00 0.00 C ATOM 816 CG TYR A 51 6.876 -2.835 -0.868 1.00 0.00 C ATOM 817 CD1 TYR A 51 7.072 -2.178 -2.088 1.00 0.00 C ATOM 818 CD2 TYR A 51 6.141 -4.025 -0.823 1.00 0.00 C ATOM 819 CE1 TYR A 51 6.532 -2.712 -3.264 1.00 0.00 C ATOM 820 CE2 TYR A 51 5.600 -4.558 -1.998 1.00 0.00 C ATOM 821 CZ TYR A 51 5.796 -3.901 -3.220 1.00 0.00 C ATOM 822 OH TYR A 51 5.264 -4.427 -4.380 1.00 0.00 O ATOM 0 H TYR A 51 8.883 -0.143 0.621 1.00 0.00 H new ATOM 0 HA TYR A 51 6.038 -0.688 -0.012 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.547 -2.203 0.316 1.00 0.00 H new ATOM 0 HB3 TYR A 51 7.244 -2.920 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.639 -1.260 -2.122 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.991 -4.532 0.119 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.684 -2.206 -4.206 1.00 0.00 H new ATOM 0 HE2 TYR A 51 5.031 -5.476 -1.963 1.00 0.00 H new ATOM 0 HH TYR A 51 4.289 -4.325 -4.369 1.00 0.00 H new ATOM 832 N VAL A 52 5.230 -0.250 2.326 1.00 0.00 N ATOM 833 CA VAL A 52 4.709 -0.170 3.722 1.00 0.00 C ATOM 834 C VAL A 52 3.523 -1.132 3.867 1.00 0.00 C ATOM 835 O VAL A 52 2.381 -0.761 3.684 1.00 0.00 O ATOM 836 CB VAL A 52 4.265 1.265 4.034 1.00 0.00 C ATOM 837 CG1 VAL A 52 5.466 2.206 3.922 1.00 0.00 C ATOM 838 CG2 VAL A 52 3.184 1.702 3.043 1.00 0.00 C ATOM 0 H VAL A 52 4.619 0.138 1.608 1.00 0.00 H new ATOM 0 HA VAL A 52 5.494 -0.450 4.424 1.00 0.00 H new ATOM 0 HB VAL A 52 3.862 1.303 5.046 1.00 0.00 H new ATOM 0 HG11 VAL A 52 5.151 3.226 4.144 1.00 0.00 H new ATOM 0 HG12 VAL A 52 6.235 1.901 4.632 1.00 0.00 H new ATOM 0 HG13 VAL A 52 5.869 2.163 2.910 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.873 2.722 3.270 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.582 1.661 2.029 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.326 1.035 3.123 1.00 0.00 H new ATOM 848 N CYS A 53 3.795 -2.374 4.180 1.00 0.00 N ATOM 849 CA CYS A 53 2.696 -3.378 4.321 1.00 0.00 C ATOM 850 C CYS A 53 2.024 -3.249 5.687 1.00 0.00 C ATOM 851 O CYS A 53 2.577 -2.695 6.616 1.00 0.00 O ATOM 852 CB CYS A 53 3.277 -4.786 4.179 1.00 0.00 C ATOM 853 SG CYS A 53 4.328 -5.150 5.607 1.00 0.00 S ATOM 0 H CYS A 53 4.734 -2.737 4.344 1.00 0.00 H new ATOM 0 HA CYS A 53 1.954 -3.197 3.544 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.472 -5.518 4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 53 3.856 -4.861 3.259 1.00 0.00 H new ATOM 858 N CYS A 54 0.830 -3.767 5.815 1.00 0.00 N ATOM 859 CA CYS A 54 0.119 -3.683 7.122 1.00 0.00 C ATOM 860 C CYS A 54 -0.997 -4.719 7.174 1.00 0.00 C ATOM 861 O CYS A 54 -1.347 -5.337 6.181 1.00 0.00 O ATOM 862 CB CYS A 54 -0.514 -2.305 7.290 1.00 0.00 C ATOM 863 SG CYS A 54 -1.822 -2.100 6.058 1.00 0.00 S ATOM 0 H CYS A 54 0.319 -4.243 5.072 1.00 0.00 H new ATOM 0 HA CYS A 54 0.844 -3.864 7.915 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -0.924 -2.199 8.295 1.00 0.00 H new ATOM 0 HB3 CYS A 54 0.241 -1.528 7.170 1.00 0.00 H new ATOM 868 N ASN A 55 -1.579 -4.878 8.328 1.00 0.00 N ATOM 869 CA ASN A 55 -2.702 -5.832 8.485 1.00 0.00 C ATOM 870 C ASN A 55 -3.789 -5.155 9.337 1.00 0.00 C ATOM 871 O ASN A 55 -4.742 -5.778 9.760 1.00 0.00 O ATOM 872 CB ASN A 55 -2.175 -7.129 9.142 1.00 0.00 C ATOM 873 CG ASN A 55 -2.936 -7.463 10.432 1.00 0.00 C ATOM 874 OD1 ASN A 55 -2.459 -7.206 11.519 1.00 0.00 O ATOM 875 ND2 ASN A 55 -4.109 -8.034 10.353 1.00 0.00 N ATOM 0 H ASN A 55 -1.318 -4.379 9.179 1.00 0.00 H new ATOM 0 HA ASN A 55 -3.134 -6.103 7.522 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -2.269 -7.957 8.439 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.114 -7.019 9.364 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.623 -8.263 11.204 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.511 -8.250 9.441 1.00 0.00 H new ATOM 882 N THR A 56 -3.645 -3.877 9.597 1.00 0.00 N ATOM 883 CA THR A 56 -4.661 -3.167 10.431 1.00 0.00 C ATOM 884 C THR A 56 -5.905 -2.836 9.595 1.00 0.00 C ATOM 885 O THR A 56 -6.184 -3.471 8.596 1.00 0.00 O ATOM 886 CB THR A 56 -4.059 -1.869 10.976 1.00 0.00 C ATOM 887 OG1 THR A 56 -2.688 -1.788 10.614 1.00 0.00 O ATOM 888 CG2 THR A 56 -4.187 -1.845 12.500 1.00 0.00 C ATOM 0 H THR A 56 -2.871 -3.299 9.269 1.00 0.00 H new ATOM 0 HA THR A 56 -4.951 -3.817 11.256 1.00 0.00 H new ATOM 0 HB THR A 56 -4.595 -1.019 10.553 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.306 -0.956 10.963 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.758 -0.921 12.887 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.240 -1.901 12.778 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.655 -2.697 12.923 1.00 0.00 H new ATOM 896 N ASP A 57 -6.660 -1.854 10.012 1.00 0.00 N ATOM 897 CA ASP A 57 -7.901 -1.477 9.269 1.00 0.00 C ATOM 898 C ASP A 57 -7.566 -1.073 7.831 1.00 0.00 C ATOM 899 O ASP A 57 -8.397 -1.154 6.948 1.00 0.00 O ATOM 900 CB ASP A 57 -8.577 -0.301 9.979 1.00 0.00 C ATOM 901 CG ASP A 57 -9.791 -0.806 10.762 1.00 0.00 C ATOM 902 OD1 ASP A 57 -10.751 -1.213 10.129 1.00 0.00 O ATOM 903 OD2 ASP A 57 -9.739 -0.776 11.981 1.00 0.00 O ATOM 0 H ASP A 57 -6.469 -1.292 10.842 1.00 0.00 H new ATOM 0 HA ASP A 57 -8.571 -2.337 9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.872 0.184 10.654 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -8.887 0.448 9.250 1.00 0.00 H new ATOM 908 N ARG A 58 -6.363 -0.640 7.582 1.00 0.00 N ATOM 909 CA ARG A 58 -5.992 -0.235 6.196 1.00 0.00 C ATOM 910 C ARG A 58 -5.470 -1.457 5.436 1.00 0.00 C ATOM 911 O ARG A 58 -4.716 -1.338 4.491 1.00 0.00 O ATOM 912 CB ARG A 58 -4.899 0.834 6.250 1.00 0.00 C ATOM 913 CG ARG A 58 -5.264 1.887 7.298 1.00 0.00 C ATOM 914 CD ARG A 58 -4.029 2.221 8.136 1.00 0.00 C ATOM 915 NE ARG A 58 -4.363 2.103 9.584 1.00 0.00 N ATOM 916 CZ ARG A 58 -4.057 3.068 10.407 1.00 0.00 C ATOM 917 NH1 ARG A 58 -4.733 4.183 10.384 1.00 0.00 N ATOM 918 NH2 ARG A 58 -3.074 2.917 11.252 1.00 0.00 N ATOM 0 H ARG A 58 -5.621 -0.549 8.276 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.868 0.168 5.687 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.941 0.377 6.497 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.786 1.303 5.272 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.640 2.786 6.810 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.063 1.515 7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.212 1.545 7.884 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.687 3.231 7.912 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.832 1.266 9.932 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.501 4.300 9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.494 4.938 11.027 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.545 2.045 11.269 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.834 3.671 11.896 1.00 0.00 H new ATOM 932 N CYS A 59 -5.858 -2.632 5.852 1.00 0.00 N ATOM 933 CA CYS A 59 -5.381 -3.865 5.168 1.00 0.00 C ATOM 934 C CYS A 59 -6.336 -5.014 5.501 1.00 0.00 C ATOM 935 O CYS A 59 -7.241 -5.323 4.752 1.00 0.00 O ATOM 936 CB CYS A 59 -3.964 -4.217 5.656 1.00 0.00 C ATOM 937 SG CYS A 59 -3.418 -3.011 6.895 1.00 0.00 S ATOM 0 H CYS A 59 -6.487 -2.790 6.639 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.355 -3.701 4.091 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -3.956 -5.219 6.084 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -3.272 -4.225 4.814 1.00 0.00 H new ATOM 942 N ASN A 60 -6.146 -5.639 6.630 1.00 0.00 N ATOM 943 CA ASN A 60 -7.047 -6.759 7.031 1.00 0.00 C ATOM 944 C ASN A 60 -7.167 -6.792 8.555 1.00 0.00 C ATOM 945 O ASN A 60 -7.221 -5.727 9.148 1.00 0.00 O ATOM 946 CB ASN A 60 -6.479 -8.093 6.538 1.00 0.00 C ATOM 947 CG ASN A 60 -4.965 -8.123 6.748 1.00 0.00 C ATOM 948 OD1 ASN A 60 -4.255 -7.271 6.254 1.00 0.00 O ATOM 949 ND2 ASN A 60 -4.438 -9.081 7.458 1.00 0.00 N ATOM 950 OXT ASN A 60 -7.204 -7.881 9.104 1.00 0.00 O ATOM 0 H ASN A 60 -5.404 -5.422 7.295 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.030 -6.603 6.586 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -6.946 -8.918 7.076 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.711 -8.229 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.428 -9.115 7.599 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.035 -9.796 7.873 1.00 0.00 H new TER 957 ASN A 60