USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 574 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 22 ASN : amide:sc= -1.18 K(o=-7.6,f=-17!) USER MOD Set 1.2: A 44 ASN : amide:sc= -2.08 K(o=-7.6,f=-17!) USER MOD Set 1.3: A 45 ASN : amide:sc= -4.36 K(o=-7.6,f=-19!) USER MOD Set 2.1: A 31 THR OG1 : rot -120:sc=-0.00247 USER MOD Set 2.2: A 37 GLN : amide:sc= -3.73 K(o=-3.7,f=-5.7!) USER MOD Single : A 1 LYS N :NH3+ -177:sc= 0 (180deg=-0.00317) USER MOD Single : A 1 LYS NZ :NH3+ -135:sc=-0.00248 (180deg=-0.584) USER MOD Single : A 4 SER OG : rot 180:sc= -0.919 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -0.331 X(o=-0.33,f=-0.66) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.211 K(o=-0.21,f=-1.5!) USER MOD Single : A 33 ASN : amide:sc= -1.45 K(o=-1.4,f=-3!) USER MOD Single : A 43 LYS NZ :NH3+ 152:sc= -0.0526 (180deg=-0.3) USER MOD Single : A 46 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.6!) USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc=-0.00576 X(o=-0.0058,f=-0.086) USER MOD Single : A 61 TYR OH : rot 157:sc= -1.28 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.536 K(o=-0.54,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -11.688 -21.417 -17.378 1.00 0.00 N ATOM 2 CA LYS A 1 -10.598 -20.871 -18.235 1.00 0.00 C ATOM 3 C LYS A 1 -9.774 -19.859 -17.432 1.00 0.00 C ATOM 4 O LYS A 1 -10.069 -18.664 -17.448 1.00 0.00 O ATOM 5 CB LYS A 1 -11.209 -20.178 -19.455 1.00 0.00 C ATOM 6 CG LYS A 1 -10.199 -20.182 -20.605 1.00 0.00 C ATOM 7 CD LYS A 1 -10.905 -19.794 -21.906 1.00 0.00 C ATOM 8 CE LYS A 1 -10.825 -18.278 -22.097 1.00 0.00 C ATOM 9 NZ LYS A 1 -12.016 -17.635 -21.475 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.216 -22.141 -17.907 1.00 0.00 H new ATOM 0 H2 LYS A 1 -11.277 -21.843 -16.523 1.00 0.00 H new ATOM 0 H3 LYS A 1 -12.333 -20.648 -17.105 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.952 -21.685 -18.564 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.122 -20.690 -19.758 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.486 -19.154 -19.204 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.390 -19.482 -20.395 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -9.748 -21.170 -20.704 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -10.440 -20.303 -22.750 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -11.947 -20.113 -21.876 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.912 -17.891 -21.644 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -10.781 -18.036 -23.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.403 -16.920 -22.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.740 -18.357 -21.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -11.738 -17.179 -20.583 1.00 0.00 H new ATOM 25 N PRO A 2 -8.734 -20.319 -16.719 1.00 0.00 N ATOM 26 CA PRO A 2 -7.874 -19.433 -15.910 1.00 0.00 C ATOM 27 C PRO A 2 -6.778 -18.764 -16.739 1.00 0.00 C ATOM 28 O PRO A 2 -5.587 -18.916 -16.462 1.00 0.00 O ATOM 29 CB PRO A 2 -7.274 -20.392 -14.891 1.00 0.00 C ATOM 30 CG PRO A 2 -7.319 -21.784 -15.504 1.00 0.00 C ATOM 31 CD PRO A 2 -8.327 -21.746 -16.657 1.00 0.00 C ATOM 0 HA PRO A 2 -8.427 -18.604 -15.469 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.249 -20.109 -14.653 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.837 -20.364 -13.958 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.333 -22.076 -15.866 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.616 -22.522 -14.759 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.877 -22.076 -17.594 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -9.179 -22.398 -16.466 1.00 0.00 H new ATOM 39 N VAL A 3 -7.196 -18.020 -17.759 1.00 0.00 N ATOM 40 CA VAL A 3 -6.245 -17.328 -18.624 1.00 0.00 C ATOM 41 C VAL A 3 -6.327 -15.820 -18.403 1.00 0.00 C ATOM 42 O VAL A 3 -7.374 -15.204 -18.602 1.00 0.00 O ATOM 43 CB VAL A 3 -6.537 -17.636 -20.096 1.00 0.00 C ATOM 44 CG1 VAL A 3 -5.424 -17.057 -20.973 1.00 0.00 C ATOM 45 CG2 VAL A 3 -6.603 -19.153 -20.297 1.00 0.00 C ATOM 0 H VAL A 3 -8.176 -17.881 -18.005 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.243 -17.678 -18.374 1.00 0.00 H new ATOM 0 HB VAL A 3 -7.490 -17.188 -20.376 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.634 -17.277 -22.020 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -5.374 -15.977 -20.832 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.470 -17.504 -20.692 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.811 -19.373 -21.344 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.649 -19.599 -20.015 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -7.396 -19.568 -19.675 1.00 0.00 H new ATOM 55 N SER A 4 -5.205 -15.232 -17.989 1.00 0.00 N ATOM 56 CA SER A 4 -5.147 -13.792 -17.739 1.00 0.00 C ATOM 57 C SER A 4 -6.076 -13.410 -16.589 1.00 0.00 C ATOM 58 O SER A 4 -7.217 -13.866 -16.515 1.00 0.00 O ATOM 59 CB SER A 4 -5.553 -13.005 -18.988 1.00 0.00 C ATOM 60 OG SER A 4 -5.283 -13.788 -20.143 1.00 0.00 O ATOM 0 H SER A 4 -4.329 -15.727 -17.820 1.00 0.00 H new ATOM 0 HA SER A 4 -4.119 -13.544 -17.476 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.613 -12.753 -18.945 1.00 0.00 H new ATOM 0 HB3 SER A 4 -5.003 -12.065 -19.035 1.00 0.00 H new ATOM 0 HG SER A 4 -5.543 -13.288 -20.945 1.00 0.00 H new ATOM 66 N LEU A 5 -5.570 -12.566 -15.692 1.00 0.00 N ATOM 67 CA LEU A 5 -6.356 -12.120 -14.540 1.00 0.00 C ATOM 68 C LEU A 5 -6.714 -13.304 -13.648 1.00 0.00 C ATOM 69 O LEU A 5 -6.876 -14.430 -14.120 1.00 0.00 O ATOM 70 CB LEU A 5 -7.644 -11.431 -14.999 1.00 0.00 C ATOM 71 CG LEU A 5 -8.021 -10.333 -14.000 1.00 0.00 C ATOM 72 CD1 LEU A 5 -8.658 -9.159 -14.747 1.00 0.00 C ATOM 73 CD2 LEU A 5 -9.020 -10.889 -12.982 1.00 0.00 C ATOM 0 H LEU A 5 -4.627 -12.179 -15.738 1.00 0.00 H new ATOM 0 HA LEU A 5 -5.750 -11.411 -13.976 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.506 -11.002 -15.992 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -8.451 -12.160 -15.076 1.00 0.00 H new ATOM 0 HG LEU A 5 -7.125 -9.992 -13.482 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -8.926 -8.378 -14.036 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -7.948 -8.761 -15.472 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -9.554 -9.501 -15.266 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -9.288 -10.107 -12.271 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.916 -11.231 -13.501 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -8.568 -11.725 -12.448 1.00 0.00 H new ATOM 85 N SER A 6 -6.835 -13.038 -12.351 1.00 0.00 N ATOM 86 CA SER A 6 -7.175 -14.088 -11.395 1.00 0.00 C ATOM 87 C SER A 6 -7.633 -13.480 -10.073 1.00 0.00 C ATOM 88 O SER A 6 -7.170 -12.413 -9.671 1.00 0.00 O ATOM 89 CB SER A 6 -5.966 -14.988 -11.137 1.00 0.00 C ATOM 90 OG SER A 6 -4.895 -14.202 -10.631 1.00 0.00 O ATOM 0 H SER A 6 -6.704 -12.114 -11.940 1.00 0.00 H new ATOM 0 HA SER A 6 -7.985 -14.680 -11.821 1.00 0.00 H new ATOM 0 HB2 SER A 6 -6.226 -15.771 -10.424 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.664 -15.484 -12.059 1.00 0.00 H new ATOM 0 HG SER A 6 -4.119 -14.776 -10.463 1.00 0.00 H new ATOM 96 N TYR A 7 -8.551 -14.173 -9.403 1.00 0.00 N ATOM 97 CA TYR A 7 -9.073 -13.698 -8.122 1.00 0.00 C ATOM 98 C TYR A 7 -9.749 -12.340 -8.291 1.00 0.00 C ATOM 99 O TYR A 7 -9.563 -11.659 -9.300 1.00 0.00 O ATOM 100 CB TYR A 7 -7.944 -13.568 -7.096 1.00 0.00 C ATOM 101 CG TYR A 7 -8.471 -13.895 -5.718 1.00 0.00 C ATOM 102 CD1 TYR A 7 -8.608 -15.230 -5.320 1.00 0.00 C ATOM 103 CD2 TYR A 7 -8.822 -12.862 -4.839 1.00 0.00 C ATOM 104 CE1 TYR A 7 -9.096 -15.533 -4.044 1.00 0.00 C ATOM 105 CE2 TYR A 7 -9.310 -13.166 -3.562 1.00 0.00 C ATOM 106 CZ TYR A 7 -9.446 -14.502 -3.165 1.00 0.00 C ATOM 107 OH TYR A 7 -9.928 -14.800 -1.906 1.00 0.00 O ATOM 0 H TYR A 7 -8.946 -15.058 -9.721 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.803 -14.426 -7.767 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.126 -14.241 -7.353 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.540 -12.556 -7.111 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.337 -16.026 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -8.716 -11.832 -5.146 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -9.203 -16.563 -3.737 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -9.581 -12.371 -2.884 1.00 0.00 H new ATOM 0 HH TYR A 7 -10.121 -13.969 -1.425 1.00 0.00 H new ATOM 117 N ARG A 8 -10.537 -11.955 -7.291 1.00 0.00 N ATOM 118 CA ARG A 8 -11.237 -10.676 -7.339 1.00 0.00 C ATOM 119 C ARG A 8 -10.281 -9.531 -7.012 1.00 0.00 C ATOM 120 O ARG A 8 -9.811 -8.823 -7.903 1.00 0.00 O ATOM 121 CB ARG A 8 -12.410 -10.667 -6.352 1.00 0.00 C ATOM 122 CG ARG A 8 -13.668 -11.185 -7.051 1.00 0.00 C ATOM 123 CD ARG A 8 -13.537 -12.690 -7.293 1.00 0.00 C ATOM 124 NE ARG A 8 -12.989 -12.951 -8.622 1.00 0.00 N ATOM 125 CZ ARG A 8 -13.171 -14.126 -9.219 1.00 0.00 C ATOM 126 NH1 ARG A 8 -12.688 -15.212 -8.681 1.00 0.00 N ATOM 127 NH2 ARG A 8 -13.833 -14.191 -10.342 1.00 0.00 N ATOM 0 H ARG A 8 -10.705 -12.503 -6.447 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.623 -10.539 -8.349 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.178 -11.291 -5.489 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.578 -9.657 -5.979 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -14.547 -10.980 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -13.810 -10.665 -7.998 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.891 -13.131 -6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.513 -13.166 -7.196 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.459 -12.222 -9.099 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -12.171 -15.160 -7.803 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.827 -16.113 -9.138 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.210 -13.341 -10.761 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -13.973 -15.092 -10.800 1.00 0.00 H new ATOM 141 N CYS A 9 -9.998 -9.360 -5.727 1.00 0.00 N ATOM 142 CA CYS A 9 -9.092 -8.299 -5.290 1.00 0.00 C ATOM 143 C CYS A 9 -7.650 -8.819 -5.249 1.00 0.00 C ATOM 144 O CYS A 9 -7.420 -9.988 -4.939 1.00 0.00 O ATOM 145 CB CYS A 9 -9.482 -7.787 -3.899 1.00 0.00 C ATOM 146 SG CYS A 9 -11.233 -7.318 -3.890 1.00 0.00 S ATOM 0 H CYS A 9 -10.377 -9.934 -4.974 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.166 -7.478 -6.004 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.298 -8.559 -3.152 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -8.865 -6.930 -3.630 1.00 0.00 H new ATOM 151 N PRO A 10 -6.658 -7.968 -5.564 1.00 0.00 N ATOM 152 CA PRO A 10 -5.238 -8.374 -5.560 1.00 0.00 C ATOM 153 C PRO A 10 -4.603 -8.291 -4.175 1.00 0.00 C ATOM 154 O PRO A 10 -4.061 -9.271 -3.664 1.00 0.00 O ATOM 155 CB PRO A 10 -4.600 -7.360 -6.499 1.00 0.00 C ATOM 156 CG PRO A 10 -5.494 -6.130 -6.499 1.00 0.00 C ATOM 157 CD PRO A 10 -6.857 -6.550 -5.948 1.00 0.00 C ATOM 0 HA PRO A 10 -5.106 -9.413 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.594 -7.105 -6.166 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -4.508 -7.770 -7.505 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.060 -5.341 -5.885 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.595 -5.730 -7.508 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.148 -5.940 -5.093 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.642 -6.444 -6.697 1.00 0.00 H new ATOM 165 N CYS A 11 -4.673 -7.105 -3.579 1.00 0.00 N ATOM 166 CA CYS A 11 -4.096 -6.893 -2.252 1.00 0.00 C ATOM 167 C CYS A 11 -4.735 -7.827 -1.228 1.00 0.00 C ATOM 168 O CYS A 11 -5.895 -8.217 -1.354 1.00 0.00 O ATOM 169 CB CYS A 11 -4.298 -5.445 -1.794 1.00 0.00 C ATOM 170 SG CYS A 11 -2.960 -4.406 -2.440 1.00 0.00 S ATOM 0 H CYS A 11 -5.118 -6.283 -3.987 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.029 -7.105 -2.323 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.261 -5.074 -2.145 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.315 -5.397 -0.705 1.00 0.00 H new ATOM 175 N ARG A 12 -3.956 -8.169 -0.210 1.00 0.00 N ATOM 176 CA ARG A 12 -4.431 -9.053 0.855 1.00 0.00 C ATOM 177 C ARG A 12 -3.707 -8.725 2.156 1.00 0.00 C ATOM 178 O ARG A 12 -4.326 -8.560 3.206 1.00 0.00 O ATOM 179 CB ARG A 12 -4.201 -10.528 0.498 1.00 0.00 C ATOM 180 CG ARG A 12 -2.778 -10.731 -0.033 1.00 0.00 C ATOM 181 CD ARG A 12 -2.677 -12.100 -0.706 1.00 0.00 C ATOM 182 NE ARG A 12 -1.541 -12.141 -1.625 1.00 0.00 N ATOM 183 CZ ARG A 12 -1.171 -13.278 -2.204 1.00 0.00 C ATOM 184 NH1 ARG A 12 -2.007 -13.921 -2.974 1.00 0.00 N ATOM 185 NH2 ARG A 12 0.029 -13.752 -2.004 1.00 0.00 N ATOM 0 H ARG A 12 -2.994 -7.850 -0.096 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.502 -8.893 0.976 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -4.360 -11.151 1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.925 -10.845 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -2.528 -9.944 -0.745 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -2.060 -10.661 0.784 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.567 -12.876 0.051 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.598 -12.313 -1.249 1.00 0.00 H new ATOM 0 HE ARG A 12 -1.025 -11.284 -1.825 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.944 -13.550 -3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.723 -14.794 -3.419 1.00 0.00 H new ATOM 0 HH21 ARG A 12 0.682 -13.249 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.313 -14.625 -2.448 1.00 0.00 H new ATOM 199 N PHE A 13 -2.387 -8.609 2.063 1.00 0.00 N ATOM 200 CA PHE A 13 -1.573 -8.271 3.224 1.00 0.00 C ATOM 201 C PHE A 13 -0.931 -6.911 2.997 1.00 0.00 C ATOM 202 O PHE A 13 -0.688 -6.511 1.860 1.00 0.00 O ATOM 203 CB PHE A 13 -0.477 -9.312 3.450 1.00 0.00 C ATOM 204 CG PHE A 13 -1.031 -10.460 4.261 1.00 0.00 C ATOM 205 CD1 PHE A 13 -2.007 -11.298 3.710 1.00 0.00 C ATOM 206 CD2 PHE A 13 -0.567 -10.685 5.562 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.520 -12.363 4.461 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.081 -11.750 6.313 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.057 -12.589 5.762 1.00 0.00 C ATOM 0 H PHE A 13 -1.860 -8.743 1.200 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.214 -8.250 4.105 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -0.104 -9.676 2.493 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.367 -8.860 3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -2.365 -11.123 2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.187 -10.038 5.987 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.273 -13.010 4.036 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -0.724 -11.924 7.317 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.452 -13.410 6.341 1.00 0.00 H new ATOM 219 N PHE A 14 -0.674 -6.193 4.083 1.00 0.00 N ATOM 220 CA PHE A 14 -0.077 -4.864 3.968 1.00 0.00 C ATOM 221 C PHE A 14 1.233 -4.768 4.733 1.00 0.00 C ATOM 222 O PHE A 14 1.346 -5.225 5.869 1.00 0.00 O ATOM 223 CB PHE A 14 -1.032 -3.804 4.509 1.00 0.00 C ATOM 224 CG PHE A 14 -2.128 -3.571 3.507 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.021 -4.599 3.187 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.245 -2.326 2.895 1.00 0.00 C ATOM 227 CE1 PHE A 14 -4.036 -4.374 2.249 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.256 -2.096 1.960 1.00 0.00 C ATOM 229 CZ PHE A 14 -4.154 -3.120 1.634 1.00 0.00 C ATOM 0 H PHE A 14 -0.864 -6.499 5.037 1.00 0.00 H new ATOM 0 HA PHE A 14 0.118 -4.693 2.909 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.455 -4.129 5.460 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.494 -2.876 4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.928 -5.564 3.662 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.552 -1.536 3.144 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.727 -5.166 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.346 -1.129 1.488 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.936 -2.944 0.910 1.00 0.00 H new ATOM 239 N GLU A 15 2.216 -4.144 4.093 1.00 0.00 N ATOM 240 CA GLU A 15 3.520 -3.962 4.719 1.00 0.00 C ATOM 241 C GLU A 15 3.643 -2.533 5.250 1.00 0.00 C ATOM 242 O GLU A 15 4.365 -1.705 4.695 1.00 0.00 O ATOM 243 CB GLU A 15 4.644 -4.234 3.714 1.00 0.00 C ATOM 244 CG GLU A 15 4.537 -5.673 3.201 1.00 0.00 C ATOM 245 CD GLU A 15 5.935 -6.254 3.010 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.814 -5.509 2.607 1.00 0.00 O ATOM 247 OE2 GLU A 15 6.106 -7.433 3.269 1.00 0.00 O ATOM 0 H GLU A 15 2.137 -3.760 3.152 1.00 0.00 H new ATOM 0 HA GLU A 15 3.610 -4.668 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.578 -3.534 2.881 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.614 -4.077 4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.973 -6.281 3.909 1.00 0.00 H new ATOM 0 HG3 GLU A 15 3.992 -5.694 2.257 1.00 0.00 H new ATOM 254 N SER A 16 2.920 -2.251 6.333 1.00 0.00 N ATOM 255 CA SER A 16 2.948 -0.916 6.935 1.00 0.00 C ATOM 256 C SER A 16 4.374 -0.526 7.323 1.00 0.00 C ATOM 257 O SER A 16 4.730 0.652 7.322 1.00 0.00 O ATOM 258 CB SER A 16 2.063 -0.870 8.181 1.00 0.00 C ATOM 259 OG SER A 16 2.363 -1.984 9.011 1.00 0.00 O ATOM 0 H SER A 16 2.314 -2.920 6.808 1.00 0.00 H new ATOM 0 HA SER A 16 2.571 -0.211 6.194 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.230 0.059 8.726 1.00 0.00 H new ATOM 0 HB3 SER A 16 1.011 -0.888 7.895 1.00 0.00 H new ATOM 0 HG SER A 16 1.799 -1.957 9.812 1.00 0.00 H new ATOM 265 N HIS A 17 5.187 -1.529 7.648 1.00 0.00 N ATOM 266 CA HIS A 17 6.576 -1.281 8.030 1.00 0.00 C ATOM 267 C HIS A 17 7.334 -0.562 6.910 1.00 0.00 C ATOM 268 O HIS A 17 8.364 0.068 7.150 1.00 0.00 O ATOM 269 CB HIS A 17 7.287 -2.599 8.343 1.00 0.00 C ATOM 270 CG HIS A 17 7.020 -2.985 9.771 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.926 -3.753 10.136 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.694 -2.715 10.936 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.973 -3.917 11.472 1.00 0.00 C ATOM 274 NE2 HIS A 17 7.031 -3.304 12.008 1.00 0.00 N ATOM 0 H HIS A 17 4.912 -2.511 7.655 1.00 0.00 H new ATOM 0 HA HIS A 17 6.565 -0.648 8.918 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.936 -3.382 7.671 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.359 -2.494 8.178 1.00 0.00 H new ATOM 0 HD2 HIS A 17 8.601 -2.134 11.009 1.00 0.00 H new ATOM 0 HE1 HIS A 17 5.244 -4.476 12.040 1.00 0.00 H new ATOM 0 HE2 HIS A 17 7.296 -3.274 12.992 1.00 0.00 H new ATOM 282 N VAL A 18 6.815 -0.661 5.682 1.00 0.00 N ATOM 283 CA VAL A 18 7.448 -0.021 4.533 1.00 0.00 C ATOM 284 C VAL A 18 7.620 1.479 4.775 1.00 0.00 C ATOM 285 O VAL A 18 6.930 2.084 5.595 1.00 0.00 O ATOM 286 CB VAL A 18 6.596 -0.245 3.273 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.231 0.448 2.061 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.499 -1.745 2.991 1.00 0.00 C ATOM 0 H VAL A 18 5.963 -1.176 5.462 1.00 0.00 H new ATOM 0 HA VAL A 18 8.432 -0.467 4.391 1.00 0.00 H new ATOM 0 HB VAL A 18 5.605 0.175 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.613 0.278 1.179 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.304 1.519 2.251 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.227 0.041 1.890 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.896 -1.909 2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.498 -2.151 2.833 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.034 -2.246 3.840 1.00 0.00 H new ATOM 298 N ALA A 19 8.552 2.057 4.032 1.00 0.00 N ATOM 299 CA ALA A 19 8.837 3.482 4.132 1.00 0.00 C ATOM 300 C ALA A 19 9.280 4.008 2.772 1.00 0.00 C ATOM 301 O ALA A 19 10.045 3.358 2.062 1.00 0.00 O ATOM 302 CB ALA A 19 9.938 3.743 5.159 1.00 0.00 C ATOM 0 H ALA A 19 9.126 1.560 3.351 1.00 0.00 H new ATOM 0 HA ALA A 19 7.931 3.996 4.453 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.135 4.814 5.217 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.618 3.379 6.135 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.847 3.223 4.858 1.00 0.00 H new ATOM 308 N ARG A 20 8.778 5.190 2.414 1.00 0.00 N ATOM 309 CA ARG A 20 9.097 5.821 1.121 1.00 0.00 C ATOM 310 C ARG A 20 10.575 5.675 0.742 1.00 0.00 C ATOM 311 O ARG A 20 10.921 5.629 -0.439 1.00 0.00 O ATOM 312 CB ARG A 20 8.754 7.307 1.161 1.00 0.00 C ATOM 313 CG ARG A 20 8.390 7.786 -0.246 1.00 0.00 C ATOM 314 CD ARG A 20 8.235 9.308 -0.246 1.00 0.00 C ATOM 315 NE ARG A 20 9.471 9.952 -0.682 1.00 0.00 N ATOM 316 CZ ARG A 20 10.173 10.720 0.147 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.566 11.609 0.885 1.00 0.00 N ATOM 318 NH2 ARG A 20 11.469 10.584 0.222 1.00 0.00 N ATOM 0 H ARG A 20 8.146 5.736 3.000 1.00 0.00 H new ATOM 0 HA ARG A 20 8.499 5.305 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.921 7.480 1.842 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.602 7.876 1.542 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.164 7.489 -0.954 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.462 7.316 -0.573 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.417 9.595 -0.906 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.973 9.652 0.755 1.00 0.00 H new ATOM 0 HE ARG A 20 9.801 9.811 -1.637 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.553 11.715 0.826 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.104 12.198 1.521 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.943 9.889 -0.355 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.008 11.173 0.857 1.00 0.00 H new ATOM 332 N ALA A 21 11.440 5.609 1.749 1.00 0.00 N ATOM 333 CA ALA A 21 12.871 5.475 1.496 1.00 0.00 C ATOM 334 C ALA A 21 13.170 4.188 0.738 1.00 0.00 C ATOM 335 O ALA A 21 13.643 4.214 -0.397 1.00 0.00 O ATOM 336 CB ALA A 21 13.652 5.474 2.812 1.00 0.00 C ATOM 0 H ALA A 21 11.181 5.645 2.735 1.00 0.00 H new ATOM 0 HA ALA A 21 13.181 6.327 0.891 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.717 5.373 2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.473 6.410 3.342 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.323 4.638 3.430 1.00 0.00 H new ATOM 342 N ASN A 22 12.891 3.062 1.381 1.00 0.00 N ATOM 343 CA ASN A 22 13.135 1.767 0.761 1.00 0.00 C ATOM 344 C ASN A 22 12.124 1.482 -0.352 1.00 0.00 C ATOM 345 O ASN A 22 12.327 0.576 -1.158 1.00 0.00 O ATOM 346 CB ASN A 22 13.065 0.655 1.809 1.00 0.00 C ATOM 347 CG ASN A 22 11.707 0.674 2.502 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.384 1.617 3.222 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.887 -0.327 2.327 1.00 0.00 N ATOM 0 H ASN A 22 12.500 3.018 2.322 1.00 0.00 H new ATOM 0 HA ASN A 22 14.133 1.794 0.323 1.00 0.00 H new ATOM 0 HB2 ASN A 22 13.227 -0.313 1.335 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.859 0.787 2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.977 -0.327 2.788 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.156 -1.108 1.729 1.00 0.00 H new ATOM 356 N VAL A 23 11.043 2.263 -0.411 1.00 0.00 N ATOM 357 CA VAL A 23 10.043 2.057 -1.459 1.00 0.00 C ATOM 358 C VAL A 23 10.649 2.419 -2.812 1.00 0.00 C ATOM 359 O VAL A 23 11.362 3.415 -2.944 1.00 0.00 O ATOM 360 CB VAL A 23 8.793 2.913 -1.196 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.731 2.642 -2.269 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.213 2.563 0.182 1.00 0.00 C ATOM 0 H VAL A 23 10.841 3.025 0.237 1.00 0.00 H new ATOM 0 HA VAL A 23 9.743 1.009 -1.460 1.00 0.00 H new ATOM 0 HB VAL A 23 9.075 3.966 -1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.851 3.254 -2.072 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.134 2.891 -3.251 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.453 1.588 -2.248 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.327 3.170 0.369 1.00 0.00 H new ATOM 0 HG22 VAL A 23 7.942 1.508 0.205 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.958 2.763 0.952 1.00 0.00 H new ATOM 372 N LYS A 24 10.371 1.589 -3.810 1.00 0.00 N ATOM 373 CA LYS A 24 10.908 1.815 -5.150 1.00 0.00 C ATOM 374 C LYS A 24 9.965 2.695 -5.963 1.00 0.00 C ATOM 375 O LYS A 24 10.353 3.751 -6.462 1.00 0.00 O ATOM 376 CB LYS A 24 11.096 0.482 -5.879 1.00 0.00 C ATOM 377 CG LYS A 24 11.842 0.717 -7.194 1.00 0.00 C ATOM 378 CD LYS A 24 12.310 -0.625 -7.764 1.00 0.00 C ATOM 379 CE LYS A 24 12.843 -0.418 -9.182 1.00 0.00 C ATOM 380 NZ LYS A 24 13.834 -1.485 -9.502 1.00 0.00 N ATOM 0 H LYS A 24 9.783 0.760 -3.721 1.00 0.00 H new ATOM 0 HA LYS A 24 11.871 2.315 -5.047 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.655 -0.212 -5.251 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.127 0.024 -6.076 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.191 1.220 -7.909 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.698 1.371 -7.027 1.00 0.00 H new ATOM 0 HD2 LYS A 24 13.088 -1.050 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.484 -1.336 -7.775 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.021 -0.443 -9.898 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.309 0.564 -9.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.197 -1.344 -10.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 14.623 -1.440 -8.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.375 -2.416 -9.437 1.00 0.00 H new ATOM 394 N HIS A 25 8.721 2.247 -6.093 1.00 0.00 N ATOM 395 CA HIS A 25 7.727 3.002 -6.851 1.00 0.00 C ATOM 396 C HIS A 25 6.332 2.738 -6.300 1.00 0.00 C ATOM 397 O HIS A 25 6.113 1.773 -5.567 1.00 0.00 O ATOM 398 CB HIS A 25 7.763 2.607 -8.328 1.00 0.00 C ATOM 399 CG HIS A 25 7.163 3.710 -9.156 1.00 0.00 C ATOM 400 ND1 HIS A 25 5.926 3.586 -9.766 1.00 0.00 N ATOM 401 CD2 HIS A 25 7.618 4.963 -9.483 1.00 0.00 C ATOM 402 CE1 HIS A 25 5.680 4.734 -10.424 1.00 0.00 C ATOM 403 NE2 HIS A 25 6.680 5.608 -10.284 1.00 0.00 N ATOM 0 H HIS A 25 8.378 1.375 -5.689 1.00 0.00 H new ATOM 0 HA HIS A 25 7.964 4.062 -6.756 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.790 2.420 -8.641 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.210 1.680 -8.481 1.00 0.00 H new ATOM 0 HD2 HIS A 25 8.561 5.384 -9.167 1.00 0.00 H new ATOM 0 HE1 HIS A 25 4.784 4.925 -10.995 1.00 0.00 H new ATOM 0 HE2 HIS A 25 6.743 6.546 -10.679 1.00 0.00 H new ATOM 411 N LEU A 26 5.388 3.604 -6.657 1.00 0.00 N ATOM 412 CA LEU A 26 4.016 3.445 -6.184 1.00 0.00 C ATOM 413 C LEU A 26 3.076 3.113 -7.334 1.00 0.00 C ATOM 414 O LEU A 26 3.270 3.547 -8.470 1.00 0.00 O ATOM 415 CB LEU A 26 3.514 4.725 -5.510 1.00 0.00 C ATOM 416 CG LEU A 26 3.852 4.720 -4.013 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.324 6.009 -3.379 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.196 3.514 -3.323 1.00 0.00 C ATOM 0 H LEU A 26 5.543 4.410 -7.262 1.00 0.00 H new ATOM 0 HA LEU A 26 4.022 2.627 -5.464 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.967 5.594 -5.987 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.436 4.813 -5.644 1.00 0.00 H new ATOM 0 HG LEU A 26 4.933 4.654 -3.891 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.560 6.014 -2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.792 6.869 -3.859 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.243 6.064 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.444 3.523 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.114 3.570 -3.443 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.564 2.592 -3.774 1.00 0.00 H new ATOM 430 N LYS A 27 2.046 2.346 -7.009 1.00 0.00 N ATOM 431 CA LYS A 27 1.049 1.955 -8.004 1.00 0.00 C ATOM 432 C LYS A 27 -0.286 1.650 -7.327 1.00 0.00 C ATOM 433 O LYS A 27 -0.328 1.222 -6.176 1.00 0.00 O ATOM 434 CB LYS A 27 1.514 0.715 -8.770 1.00 0.00 C ATOM 435 CG LYS A 27 2.326 1.146 -9.993 1.00 0.00 C ATOM 436 CD LYS A 27 2.121 0.134 -11.122 1.00 0.00 C ATOM 437 CE LYS A 27 3.103 0.428 -12.258 1.00 0.00 C ATOM 438 NZ LYS A 27 2.866 -0.523 -13.379 1.00 0.00 N ATOM 0 H LYS A 27 1.876 1.982 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 27 0.924 2.784 -8.700 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.120 0.081 -8.123 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.654 0.123 -9.082 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.015 2.139 -10.319 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.383 1.212 -9.736 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.273 -0.879 -10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 27 1.096 0.187 -11.490 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.978 1.454 -12.605 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.128 0.336 -11.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.534 -0.323 -14.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.007 -1.497 -13.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 1.892 -0.414 -13.727 1.00 0.00 H new ATOM 452 N ILE A 28 -1.377 1.873 -8.057 1.00 0.00 N ATOM 453 CA ILE A 28 -2.711 1.611 -7.526 1.00 0.00 C ATOM 454 C ILE A 28 -3.550 0.891 -8.576 1.00 0.00 C ATOM 455 O ILE A 28 -3.343 1.058 -9.778 1.00 0.00 O ATOM 456 CB ILE A 28 -3.409 2.917 -7.140 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.518 3.709 -6.180 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.739 2.601 -6.455 1.00 0.00 C ATOM 459 CD1 ILE A 28 -3.009 5.158 -6.096 1.00 0.00 C ATOM 0 H ILE A 28 -1.363 2.232 -9.012 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.608 0.988 -6.637 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.593 3.508 -8.037 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.535 3.251 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.484 3.685 -6.524 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.237 3.531 -6.180 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.375 2.037 -7.138 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.555 2.009 -5.558 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -2.372 5.719 -5.412 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.968 5.614 -7.085 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.036 5.174 -5.731 1.00 0.00 H new ATOM 471 N LEU A 29 -4.501 0.090 -8.109 1.00 0.00 N ATOM 472 CA LEU A 29 -5.368 -0.653 -9.025 1.00 0.00 C ATOM 473 C LEU A 29 -6.831 -0.485 -8.627 1.00 0.00 C ATOM 474 O LEU A 29 -7.224 -0.778 -7.498 1.00 0.00 O ATOM 475 CB LEU A 29 -5.019 -2.157 -9.067 1.00 0.00 C ATOM 476 CG LEU A 29 -4.392 -2.632 -7.747 1.00 0.00 C ATOM 477 CD1 LEU A 29 -5.468 -2.707 -6.663 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.774 -4.016 -7.952 1.00 0.00 C ATOM 0 H LEU A 29 -4.692 -0.062 -7.119 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.205 -0.241 -10.021 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.921 -2.734 -9.270 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.327 -2.347 -9.888 1.00 0.00 H new ATOM 0 HG LEU A 29 -3.620 -1.928 -7.437 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.020 -3.044 -5.728 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -5.909 -1.721 -6.519 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -6.243 -3.410 -6.968 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.328 -4.357 -7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.548 -4.718 -8.262 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.005 -3.961 -8.722 1.00 0.00 H new ATOM 490 N ASN A 30 -7.631 0.000 -9.573 1.00 0.00 N ATOM 491 CA ASN A 30 -9.054 0.217 -9.322 1.00 0.00 C ATOM 492 C ASN A 30 -9.825 -1.094 -9.432 1.00 0.00 C ATOM 493 O ASN A 30 -10.209 -1.518 -10.522 1.00 0.00 O ATOM 494 CB ASN A 30 -9.628 1.217 -10.327 1.00 0.00 C ATOM 495 CG ASN A 30 -10.970 1.735 -9.821 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.917 0.966 -9.657 1.00 0.00 O ATOM 497 ND2 ASN A 30 -11.108 3.006 -9.560 1.00 0.00 N ATOM 0 H ASN A 30 -7.322 0.249 -10.513 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.158 0.614 -8.312 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.935 2.047 -10.466 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.754 0.740 -11.299 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.001 3.363 -9.220 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -10.323 3.643 -9.696 1.00 0.00 H new ATOM 504 N THR A 31 -10.048 -1.729 -8.286 1.00 0.00 N ATOM 505 CA THR A 31 -10.779 -2.992 -8.251 1.00 0.00 C ATOM 506 C THR A 31 -12.243 -2.738 -7.875 1.00 0.00 C ATOM 507 O THR A 31 -12.534 -1.820 -7.109 1.00 0.00 O ATOM 508 CB THR A 31 -10.154 -3.939 -7.222 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.781 -3.613 -7.050 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.276 -5.383 -7.708 1.00 0.00 C ATOM 0 H THR A 31 -9.736 -1.393 -7.375 1.00 0.00 H new ATOM 0 HA THR A 31 -10.728 -3.449 -9.239 1.00 0.00 H new ATOM 0 HB THR A 31 -10.677 -3.833 -6.272 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.229 -4.388 -7.286 1.00 0.00 H new ATOM 0 HG21 THR A 31 -9.830 -6.053 -6.973 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.328 -5.635 -7.838 1.00 0.00 H new ATOM 0 HG23 THR A 31 -9.757 -5.492 -8.660 1.00 0.00 H new ATOM 518 N PRO A 32 -13.186 -3.536 -8.402 1.00 0.00 N ATOM 519 CA PRO A 32 -14.618 -3.365 -8.096 1.00 0.00 C ATOM 520 C PRO A 32 -15.021 -4.046 -6.793 1.00 0.00 C ATOM 521 O PRO A 32 -15.685 -3.453 -5.943 1.00 0.00 O ATOM 522 CB PRO A 32 -15.297 -4.025 -9.289 1.00 0.00 C ATOM 523 CG PRO A 32 -14.305 -5.022 -9.871 1.00 0.00 C ATOM 524 CD PRO A 32 -12.917 -4.660 -9.334 1.00 0.00 C ATOM 0 HA PRO A 32 -14.892 -2.320 -7.953 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.214 -4.528 -8.981 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.577 -3.280 -10.034 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.573 -6.039 -9.586 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.317 -4.983 -10.960 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.453 -5.503 -8.822 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.242 -4.363 -10.136 1.00 0.00 H new ATOM 532 N ASN A 33 -14.607 -5.299 -6.647 1.00 0.00 N ATOM 533 CA ASN A 33 -14.920 -6.064 -5.446 1.00 0.00 C ATOM 534 C ASN A 33 -14.364 -5.371 -4.200 1.00 0.00 C ATOM 535 O ASN A 33 -14.882 -5.543 -3.097 1.00 0.00 O ATOM 536 CB ASN A 33 -14.327 -7.471 -5.538 1.00 0.00 C ATOM 537 CG ASN A 33 -14.913 -8.194 -6.746 1.00 0.00 C ATOM 538 OD1 ASN A 33 -14.209 -8.458 -7.721 1.00 0.00 O ATOM 539 ND2 ASN A 33 -16.173 -8.532 -6.743 1.00 0.00 N ATOM 0 H ASN A 33 -14.057 -5.805 -7.341 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.005 -6.129 -5.368 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -13.242 -7.414 -5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -14.544 -8.029 -4.627 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.574 -9.014 -7.548 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.758 -8.314 -5.936 1.00 0.00 H new ATOM 546 N CYS A 34 -13.302 -4.587 -4.388 1.00 0.00 N ATOM 547 CA CYS A 34 -12.684 -3.877 -3.271 1.00 0.00 C ATOM 548 C CYS A 34 -12.567 -2.388 -3.585 1.00 0.00 C ATOM 549 O CYS A 34 -12.946 -1.934 -4.664 1.00 0.00 O ATOM 550 CB CYS A 34 -11.283 -4.431 -2.994 1.00 0.00 C ATOM 551 SG CYS A 34 -11.416 -6.094 -2.293 1.00 0.00 S ATOM 0 H CYS A 34 -12.857 -4.429 -5.292 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.315 -4.019 -2.394 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.703 -4.460 -3.917 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.752 -3.776 -2.304 1.00 0.00 H new ATOM 556 N ALA A 35 -12.028 -1.638 -2.630 1.00 0.00 N ATOM 557 CA ALA A 35 -11.850 -0.201 -2.808 1.00 0.00 C ATOM 558 C ALA A 35 -10.526 0.065 -3.533 1.00 0.00 C ATOM 559 O ALA A 35 -9.993 -0.820 -4.203 1.00 0.00 O ATOM 560 CB ALA A 35 -11.850 0.499 -1.443 1.00 0.00 C ATOM 0 H ALA A 35 -11.709 -1.998 -1.731 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.672 0.193 -3.405 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.717 1.572 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.799 0.314 -0.939 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -11.034 0.109 -0.834 1.00 0.00 H new ATOM 566 N LEU A 36 -9.992 1.280 -3.397 1.00 0.00 N ATOM 567 CA LEU A 36 -8.728 1.612 -4.049 1.00 0.00 C ATOM 568 C LEU A 36 -7.570 1.029 -3.252 1.00 0.00 C ATOM 569 O LEU A 36 -7.129 1.601 -2.255 1.00 0.00 O ATOM 570 CB LEU A 36 -8.553 3.135 -4.141 1.00 0.00 C ATOM 571 CG LEU A 36 -9.366 3.701 -5.318 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.870 3.097 -6.633 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.852 3.372 -5.133 1.00 0.00 C ATOM 0 H LEU A 36 -10.407 2.036 -2.852 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.738 1.191 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.877 3.601 -3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.498 3.379 -4.269 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.237 4.783 -5.347 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.451 3.503 -7.462 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.817 3.343 -6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.988 2.014 -6.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.421 3.776 -5.970 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.983 2.291 -5.093 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.210 3.815 -4.204 1.00 0.00 H new ATOM 585 N GLN A 37 -7.084 -0.121 -3.708 1.00 0.00 N ATOM 586 CA GLN A 37 -5.973 -0.786 -3.040 1.00 0.00 C ATOM 587 C GLN A 37 -4.655 -0.282 -3.607 1.00 0.00 C ATOM 588 O GLN A 37 -4.310 -0.566 -4.757 1.00 0.00 O ATOM 589 CB GLN A 37 -6.055 -2.305 -3.235 1.00 0.00 C ATOM 590 CG GLN A 37 -7.226 -2.867 -2.423 1.00 0.00 C ATOM 591 CD GLN A 37 -7.712 -4.168 -3.055 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.440 -5.254 -2.543 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.426 -4.123 -4.146 1.00 0.00 N ATOM 0 H GLN A 37 -7.439 -0.608 -4.531 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.029 -0.561 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -6.187 -2.539 -4.291 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -5.123 -2.773 -2.919 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.915 -3.045 -1.394 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.039 -2.142 -2.389 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.652 -3.224 -4.571 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.758 -4.987 -4.574 1.00 0.00 H new ATOM 602 N ILE A 38 -3.922 0.476 -2.797 1.00 0.00 N ATOM 603 CA ILE A 38 -2.645 1.010 -3.248 1.00 0.00 C ATOM 604 C ILE A 38 -1.561 -0.051 -3.141 1.00 0.00 C ATOM 605 O ILE A 38 -1.227 -0.527 -2.051 1.00 0.00 O ATOM 606 CB ILE A 38 -2.221 2.232 -2.428 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.360 3.256 -2.403 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.979 2.865 -3.073 1.00 0.00 C ATOM 609 CD1 ILE A 38 -3.216 4.149 -1.168 1.00 0.00 C ATOM 0 H ILE A 38 -4.184 0.730 -1.844 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.773 1.313 -4.287 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.991 1.925 -1.408 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.338 3.863 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.323 2.745 -2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.672 3.736 -2.494 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.168 2.137 -3.092 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.215 3.172 -4.092 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.026 4.878 -1.150 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.259 3.535 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.260 4.670 -1.206 1.00 0.00 H new ATOM 621 N VAL A 39 -0.998 -0.388 -4.287 1.00 0.00 N ATOM 622 CA VAL A 39 0.073 -1.369 -4.333 1.00 0.00 C ATOM 623 C VAL A 39 1.400 -0.636 -4.354 1.00 0.00 C ATOM 624 O VAL A 39 1.439 0.591 -4.469 1.00 0.00 O ATOM 625 CB VAL A 39 -0.043 -2.268 -5.570 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.347 -3.065 -5.502 1.00 0.00 C ATOM 627 CG2 VAL A 39 -0.039 -1.413 -6.839 1.00 0.00 C ATOM 0 H VAL A 39 -1.261 -0.001 -5.193 1.00 0.00 H new ATOM 0 HA VAL A 39 0.003 -2.008 -3.453 1.00 0.00 H new ATOM 0 HB VAL A 39 0.805 -2.952 -5.594 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.429 -3.704 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.350 -3.682 -4.604 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.192 -2.378 -5.473 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.122 -2.059 -7.713 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.883 -0.724 -6.816 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.891 -0.847 -6.893 1.00 0.00 H new ATOM 637 N ALA A 40 2.483 -1.380 -4.230 1.00 0.00 N ATOM 638 CA ALA A 40 3.795 -0.760 -4.224 1.00 0.00 C ATOM 639 C ALA A 40 4.878 -1.768 -4.546 1.00 0.00 C ATOM 640 O ALA A 40 4.620 -2.959 -4.698 1.00 0.00 O ATOM 641 CB ALA A 40 4.086 -0.167 -2.849 1.00 0.00 C ATOM 0 H ALA A 40 2.483 -2.395 -4.134 1.00 0.00 H new ATOM 0 HA ALA A 40 3.793 0.022 -4.984 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.073 0.296 -2.854 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.334 0.585 -2.610 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.060 -0.957 -2.099 1.00 0.00 H new ATOM 647 N ARG A 41 6.099 -1.261 -4.627 1.00 0.00 N ATOM 648 CA ARG A 41 7.253 -2.103 -4.908 1.00 0.00 C ATOM 649 C ARG A 41 8.434 -1.637 -4.065 1.00 0.00 C ATOM 650 O ARG A 41 8.920 -0.514 -4.220 1.00 0.00 O ATOM 651 CB ARG A 41 7.615 -2.040 -6.391 1.00 0.00 C ATOM 652 CG ARG A 41 8.743 -3.032 -6.692 1.00 0.00 C ATOM 653 CD ARG A 41 8.144 -4.373 -7.116 1.00 0.00 C ATOM 654 NE ARG A 41 7.712 -4.327 -8.510 1.00 0.00 N ATOM 655 CZ ARG A 41 8.123 -5.240 -9.385 1.00 0.00 C ATOM 656 NH1 ARG A 41 9.373 -5.613 -9.400 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.275 -5.764 -10.227 1.00 0.00 N ATOM 0 H ARG A 41 6.317 -0.272 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 41 7.008 -3.135 -4.658 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.741 -2.274 -6.998 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.926 -1.030 -6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.383 -2.642 -7.483 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.370 -3.164 -5.810 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.882 -5.164 -6.985 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.297 -4.617 -6.475 1.00 0.00 H new ATOM 0 HE ARG A 41 7.085 -3.583 -8.817 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.035 -5.204 -8.740 1.00 0.00 H new ATOM 0 HH12 ARG A 41 9.688 -6.313 -10.071 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.297 -5.473 -10.214 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.590 -6.464 -10.898 1.00 0.00 H new ATOM 671 N LEU A 42 8.872 -2.502 -3.153 1.00 0.00 N ATOM 672 CA LEU A 42 9.976 -2.168 -2.265 1.00 0.00 C ATOM 673 C LEU A 42 11.318 -2.315 -2.971 1.00 0.00 C ATOM 674 O LEU A 42 11.429 -2.970 -4.009 1.00 0.00 O ATOM 675 CB LEU A 42 9.960 -3.075 -1.037 1.00 0.00 C ATOM 676 CG LEU A 42 8.573 -3.049 -0.388 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.548 -4.017 0.794 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.262 -1.635 0.112 1.00 0.00 C ATOM 0 H LEU A 42 8.480 -3.433 -3.012 1.00 0.00 H new ATOM 0 HA LEU A 42 9.850 -1.129 -1.961 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.218 -4.095 -1.324 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.713 -2.745 -0.321 1.00 0.00 H new ATOM 0 HG LEU A 42 7.826 -3.346 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.562 -4.000 1.257 1.00 0.00 H new ATOM 0 HD12 LEU A 42 8.767 -5.026 0.443 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.298 -3.717 1.526 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.274 -1.621 0.573 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.010 -1.336 0.847 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.280 -0.940 -0.727 1.00 0.00 H new ATOM 690 N LYS A 43 12.331 -1.679 -2.386 1.00 0.00 N ATOM 691 CA LYS A 43 13.680 -1.702 -2.945 1.00 0.00 C ATOM 692 C LYS A 43 14.625 -2.518 -2.070 1.00 0.00 C ATOM 693 O LYS A 43 15.349 -3.387 -2.554 1.00 0.00 O ATOM 694 CB LYS A 43 14.219 -0.273 -3.051 1.00 0.00 C ATOM 695 CG LYS A 43 15.397 -0.237 -4.026 1.00 0.00 C ATOM 696 CD LYS A 43 14.885 0.003 -5.453 1.00 0.00 C ATOM 697 CE LYS A 43 15.164 1.450 -5.867 1.00 0.00 C ATOM 698 NZ LYS A 43 16.630 1.639 -6.054 1.00 0.00 N ATOM 0 H LYS A 43 12.242 -1.141 -1.524 1.00 0.00 H new ATOM 0 HA LYS A 43 13.626 -2.162 -3.932 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.431 0.399 -3.392 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.536 0.080 -2.070 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.092 0.553 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.947 -1.177 -3.981 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.373 -0.683 -6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 43 13.815 -0.200 -5.504 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.636 1.683 -6.791 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.792 2.136 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.797 2.393 -6.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 17.065 1.903 -5.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.053 0.753 -6.396 1.00 0.00 H new ATOM 712 N ASN A 44 14.619 -2.217 -0.771 1.00 0.00 N ATOM 713 CA ASN A 44 15.488 -2.910 0.186 1.00 0.00 C ATOM 714 C ASN A 44 15.414 -4.428 0.011 1.00 0.00 C ATOM 715 O ASN A 44 16.396 -5.141 0.208 1.00 0.00 O ATOM 716 CB ASN A 44 15.083 -2.559 1.620 1.00 0.00 C ATOM 717 CG ASN A 44 13.606 -2.878 1.828 1.00 0.00 C ATOM 718 OD1 ASN A 44 12.761 -2.502 1.015 1.00 0.00 O ATOM 719 ND2 ASN A 44 13.240 -3.557 2.881 1.00 0.00 N ATOM 0 H ASN A 44 14.024 -1.500 -0.356 1.00 0.00 H new ATOM 0 HA ASN A 44 16.510 -2.582 -0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 44 15.690 -3.123 2.328 1.00 0.00 H new ATOM 0 HB3 ASN A 44 15.268 -1.502 1.812 1.00 0.00 H new ATOM 0 HD21 ASN A 44 12.255 -3.776 3.030 1.00 0.00 H new ATOM 0 HD22 ASN A 44 13.939 -3.869 3.555 1.00 0.00 H new ATOM 726 N ASN A 45 14.233 -4.903 -0.363 1.00 0.00 N ATOM 727 CA ASN A 45 14.026 -6.336 -0.568 1.00 0.00 C ATOM 728 C ASN A 45 13.755 -6.641 -2.039 1.00 0.00 C ATOM 729 O ASN A 45 14.060 -7.729 -2.527 1.00 0.00 O ATOM 730 CB ASN A 45 12.847 -6.831 0.269 1.00 0.00 C ATOM 731 CG ASN A 45 11.622 -5.969 -0.011 1.00 0.00 C ATOM 732 OD1 ASN A 45 11.606 -4.783 0.315 1.00 0.00 O ATOM 733 ND2 ASN A 45 10.584 -6.501 -0.595 1.00 0.00 N ATOM 0 H ASN A 45 13.409 -4.326 -0.530 1.00 0.00 H new ATOM 0 HA ASN A 45 14.936 -6.850 -0.257 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.632 -7.873 0.032 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.098 -6.790 1.329 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.757 -5.933 -0.782 1.00 0.00 H new ATOM 0 HD22 ASN A 45 10.599 -7.485 -0.865 1.00 0.00 H new ATOM 740 N ASN A 46 13.172 -5.666 -2.740 1.00 0.00 N ATOM 741 CA ASN A 46 12.849 -5.820 -4.163 1.00 0.00 C ATOM 742 C ASN A 46 11.660 -6.758 -4.338 1.00 0.00 C ATOM 743 O ASN A 46 11.821 -7.963 -4.527 1.00 0.00 O ATOM 744 CB ASN A 46 14.043 -6.368 -4.962 1.00 0.00 C ATOM 745 CG ASN A 46 15.304 -5.588 -4.604 1.00 0.00 C ATOM 746 OD1 ASN A 46 15.951 -5.870 -3.595 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.697 -4.615 -5.380 1.00 0.00 N ATOM 0 H ASN A 46 12.913 -4.761 -2.347 1.00 0.00 H new ATOM 0 HA ASN A 46 12.601 -4.830 -4.546 1.00 0.00 H new ATOM 0 HB2 ASN A 46 14.184 -7.426 -4.743 1.00 0.00 H new ATOM 0 HB3 ASN A 46 13.845 -6.287 -6.031 1.00 0.00 H new ATOM 0 HD21 ASN A 46 16.540 -4.088 -5.151 1.00 0.00 H new ATOM 0 HD22 ASN A 46 15.161 -4.381 -6.216 1.00 0.00 H new ATOM 754 N ARG A 47 10.463 -6.184 -4.270 1.00 0.00 N ATOM 755 CA ARG A 47 9.239 -6.970 -4.420 1.00 0.00 C ATOM 756 C ARG A 47 8.019 -6.053 -4.345 1.00 0.00 C ATOM 757 O ARG A 47 8.115 -4.910 -3.908 1.00 0.00 O ATOM 758 CB ARG A 47 9.148 -8.039 -3.318 1.00 0.00 C ATOM 759 CG ARG A 47 9.092 -9.434 -3.948 1.00 0.00 C ATOM 760 CD ARG A 47 8.231 -10.353 -3.082 1.00 0.00 C ATOM 761 NE ARG A 47 8.935 -10.716 -1.855 1.00 0.00 N ATOM 762 CZ ARG A 47 8.381 -11.532 -0.963 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.841 -12.655 -1.352 1.00 0.00 N ATOM 764 NH2 ARG A 47 8.375 -11.210 0.302 1.00 0.00 N ATOM 0 H ARG A 47 10.313 -5.187 -4.114 1.00 0.00 H new ATOM 0 HA ARG A 47 9.262 -7.465 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 47 10.010 -7.964 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.261 -7.870 -2.708 1.00 0.00 H new ATOM 0 HG2 ARG A 47 8.678 -9.373 -4.955 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.098 -9.843 -4.041 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.293 -9.855 -2.835 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.976 -11.254 -3.641 1.00 0.00 H new ATOM 0 HE ARG A 47 9.866 -10.338 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.844 -12.907 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 47 7.416 -13.281 -0.668 1.00 0.00 H new ATOM 0 HH21 ARG A 47 8.795 -10.332 0.607 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.950 -11.836 0.986 1.00 0.00 H new ATOM 778 N GLN A 48 6.872 -6.569 -4.780 1.00 0.00 N ATOM 779 CA GLN A 48 5.642 -5.780 -4.760 1.00 0.00 C ATOM 780 C GLN A 48 4.869 -6.010 -3.464 1.00 0.00 C ATOM 781 O GLN A 48 4.719 -7.144 -3.009 1.00 0.00 O ATOM 782 CB GLN A 48 4.748 -6.152 -5.945 1.00 0.00 C ATOM 783 CG GLN A 48 3.579 -5.168 -6.034 1.00 0.00 C ATOM 784 CD GLN A 48 2.486 -5.754 -6.920 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.601 -5.748 -8.146 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.420 -6.267 -6.367 1.00 0.00 N ATOM 0 H GLN A 48 6.768 -7.516 -5.146 1.00 0.00 H new ATOM 0 HA GLN A 48 5.922 -4.729 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.325 -6.132 -6.870 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.373 -7.168 -5.826 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.185 -4.965 -5.038 1.00 0.00 H new ATOM 0 HG3 GLN A 48 3.921 -4.217 -6.442 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.325 -6.272 -5.351 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.683 -6.663 -6.951 1.00 0.00 H new ATOM 795 N VAL A 49 4.378 -4.921 -2.871 1.00 0.00 N ATOM 796 CA VAL A 49 3.619 -5.031 -1.621 1.00 0.00 C ATOM 797 C VAL A 49 2.529 -3.970 -1.537 1.00 0.00 C ATOM 798 O VAL A 49 2.619 -2.913 -2.160 1.00 0.00 O ATOM 799 CB VAL A 49 4.535 -4.864 -0.405 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.422 -6.097 -0.255 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.411 -3.622 -0.587 1.00 0.00 C ATOM 0 H VAL A 49 4.488 -3.971 -3.225 1.00 0.00 H new ATOM 0 HA VAL A 49 3.168 -6.023 -1.617 1.00 0.00 H new ATOM 0 HB VAL A 49 3.924 -4.748 0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.072 -5.974 0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.798 -6.980 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.031 -6.219 -1.151 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.062 -3.506 0.280 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.019 -3.734 -1.485 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.777 -2.741 -0.686 1.00 0.00 H new ATOM 811 N CYS A 50 1.510 -4.256 -0.729 1.00 0.00 N ATOM 812 CA CYS A 50 0.415 -3.315 -0.531 1.00 0.00 C ATOM 813 C CYS A 50 0.750 -2.426 0.656 1.00 0.00 C ATOM 814 O CYS A 50 0.933 -2.915 1.772 1.00 0.00 O ATOM 815 CB CYS A 50 -0.894 -4.054 -0.244 1.00 0.00 C ATOM 816 SG CYS A 50 -1.280 -5.172 -1.617 1.00 0.00 S ATOM 0 H CYS A 50 1.422 -5.127 -0.205 1.00 0.00 H new ATOM 0 HA CYS A 50 0.288 -2.723 -1.437 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.808 -4.619 0.684 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.704 -3.338 -0.107 1.00 0.00 H new ATOM 821 N ILE A 51 0.846 -1.121 0.419 1.00 0.00 N ATOM 822 CA ILE A 51 1.182 -0.210 1.510 1.00 0.00 C ATOM 823 C ILE A 51 -0.063 0.185 2.276 1.00 0.00 C ATOM 824 O ILE A 51 -1.177 0.147 1.753 1.00 0.00 O ATOM 825 CB ILE A 51 1.878 1.060 1.018 1.00 0.00 C ATOM 826 CG1 ILE A 51 2.928 0.713 -0.038 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.575 1.722 2.207 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.534 2.001 -0.586 1.00 0.00 C ATOM 0 H ILE A 51 0.701 -0.680 -0.489 1.00 0.00 H new ATOM 0 HA ILE A 51 1.871 -0.750 2.160 1.00 0.00 H new ATOM 0 HB ILE A 51 1.139 1.731 0.579 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.707 0.088 0.398 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.473 0.139 -0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.077 2.630 1.875 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.836 1.974 2.968 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.309 1.035 2.627 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.283 1.759 -1.339 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.750 2.609 -1.037 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.003 2.557 0.226 1.00 0.00 H new ATOM 840 N ASP A 52 0.141 0.554 3.533 1.00 0.00 N ATOM 841 CA ASP A 52 -0.966 0.942 4.391 1.00 0.00 C ATOM 842 C ASP A 52 -1.413 2.371 4.068 1.00 0.00 C ATOM 843 O ASP A 52 -0.585 3.226 3.757 1.00 0.00 O ATOM 844 CB ASP A 52 -0.537 0.866 5.862 1.00 0.00 C ATOM 845 CG ASP A 52 -1.672 0.289 6.703 1.00 0.00 C ATOM 846 OD1 ASP A 52 -1.884 -0.910 6.634 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.313 1.056 7.403 1.00 0.00 O ATOM 0 H ASP A 52 1.058 0.592 3.978 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.797 0.259 4.216 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.352 0.243 5.959 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.272 1.859 6.225 1.00 0.00 H new ATOM 852 N PRO A 53 -2.725 2.654 4.138 1.00 0.00 N ATOM 853 CA PRO A 53 -3.251 4.004 3.848 1.00 0.00 C ATOM 854 C PRO A 53 -2.988 4.991 4.984 1.00 0.00 C ATOM 855 O PRO A 53 -3.060 6.206 4.797 1.00 0.00 O ATOM 856 CB PRO A 53 -4.744 3.761 3.675 1.00 0.00 C ATOM 857 CG PRO A 53 -5.072 2.483 4.427 1.00 0.00 C ATOM 858 CD PRO A 53 -3.778 1.674 4.515 1.00 0.00 C ATOM 0 HA PRO A 53 -2.774 4.454 2.977 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.320 4.599 4.068 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -5.000 3.665 2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.455 2.708 5.422 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.846 1.918 3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.619 1.281 5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.792 0.820 3.837 1.00 0.00 H new ATOM 866 N LYS A 54 -2.678 4.459 6.166 1.00 0.00 N ATOM 867 CA LYS A 54 -2.404 5.306 7.319 1.00 0.00 C ATOM 868 C LYS A 54 -0.898 5.485 7.535 1.00 0.00 C ATOM 869 O LYS A 54 -0.477 6.023 8.559 1.00 0.00 O ATOM 870 CB LYS A 54 -3.019 4.699 8.584 1.00 0.00 C ATOM 871 CG LYS A 54 -4.429 5.258 8.788 1.00 0.00 C ATOM 872 CD LYS A 54 -4.760 5.276 10.281 1.00 0.00 C ATOM 873 CE LYS A 54 -5.728 6.424 10.576 1.00 0.00 C ATOM 874 NZ LYS A 54 -4.956 7.639 10.962 1.00 0.00 N ATOM 0 H LYS A 54 -2.612 3.457 6.346 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.850 6.281 7.121 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.056 3.613 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.397 4.929 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -4.495 6.266 8.378 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.155 4.647 8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.205 4.326 10.577 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -3.848 5.396 10.865 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.340 6.633 9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.409 6.142 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -5.614 8.419 11.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.391 7.436 11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -4.324 7.911 10.182 1.00 0.00 H new ATOM 888 N LEU A 55 -0.079 5.043 6.570 1.00 0.00 N ATOM 889 CA LEU A 55 1.370 5.188 6.708 1.00 0.00 C ATOM 890 C LEU A 55 1.737 6.659 6.794 1.00 0.00 C ATOM 891 O LEU A 55 1.091 7.514 6.197 1.00 0.00 O ATOM 892 CB LEU A 55 2.118 4.535 5.536 1.00 0.00 C ATOM 893 CG LEU A 55 2.792 3.225 5.992 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.623 2.650 4.842 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.714 3.484 7.194 1.00 0.00 C ATOM 0 H LEU A 55 -0.388 4.594 5.708 1.00 0.00 H new ATOM 0 HA LEU A 55 1.670 4.679 7.624 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.423 4.330 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.870 5.222 5.148 1.00 0.00 H new ATOM 0 HG LEU A 55 2.015 2.518 6.283 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.099 1.724 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.974 2.447 3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.388 3.369 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 55 4.181 2.549 7.502 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.486 4.200 6.913 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.129 3.887 8.021 1.00 0.00 H new ATOM 907 N LYS A 56 2.777 6.939 7.562 1.00 0.00 N ATOM 908 CA LYS A 56 3.221 8.313 7.762 1.00 0.00 C ATOM 909 C LYS A 56 3.551 9.001 6.450 1.00 0.00 C ATOM 910 O LYS A 56 2.902 9.975 6.065 1.00 0.00 O ATOM 911 CB LYS A 56 4.451 8.354 8.672 1.00 0.00 C ATOM 912 CG LYS A 56 4.006 8.477 10.131 1.00 0.00 C ATOM 913 CD LYS A 56 3.886 7.082 10.753 1.00 0.00 C ATOM 914 CE LYS A 56 2.430 6.616 10.692 1.00 0.00 C ATOM 915 NZ LYS A 56 2.172 5.647 11.794 1.00 0.00 N ATOM 0 H LYS A 56 3.329 6.238 8.056 1.00 0.00 H new ATOM 0 HA LYS A 56 2.395 8.846 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 56 5.046 7.450 8.538 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.087 9.197 8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.725 9.075 10.691 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.048 8.994 10.187 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.526 6.379 10.220 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.228 7.103 11.788 1.00 0.00 H new ATOM 0 HE2 LYS A 56 1.759 7.471 10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.226 6.150 9.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.182 5.330 11.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.803 4.827 11.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.350 6.107 12.710 1.00 0.00 H new ATOM 929 N TRP A 57 4.576 8.508 5.777 1.00 0.00 N ATOM 930 CA TRP A 57 4.991 9.112 4.521 1.00 0.00 C ATOM 931 C TRP A 57 3.884 9.045 3.479 1.00 0.00 C ATOM 932 O TRP A 57 3.823 9.883 2.577 1.00 0.00 O ATOM 933 CB TRP A 57 6.258 8.446 3.979 1.00 0.00 C ATOM 934 CG TRP A 57 6.022 7.004 3.640 1.00 0.00 C ATOM 935 CD1 TRP A 57 6.047 5.968 4.515 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.740 6.426 2.335 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.836 4.792 3.814 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.637 5.026 2.472 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.577 6.982 1.057 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.386 4.203 1.379 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.314 6.155 -0.049 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.222 4.767 0.113 1.00 0.00 C ATOM 0 H TRP A 57 5.129 7.704 6.072 1.00 0.00 H new ATOM 0 HA TRP A 57 5.208 10.160 4.726 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.598 8.978 3.091 1.00 0.00 H new ATOM 0 HB3 TRP A 57 7.054 8.521 4.720 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.205 6.047 5.580 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.829 3.865 4.240 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.654 8.051 0.922 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.318 3.133 1.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.182 6.592 -1.028 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.025 4.134 -0.740 1.00 0.00 H new ATOM 953 N ILE A 58 3.006 8.051 3.599 1.00 0.00 N ATOM 954 CA ILE A 58 1.928 7.931 2.639 1.00 0.00 C ATOM 955 C ILE A 58 0.869 9.015 2.877 1.00 0.00 C ATOM 956 O ILE A 58 0.064 9.284 1.993 1.00 0.00 O ATOM 957 CB ILE A 58 1.330 6.505 2.627 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.315 5.622 1.816 1.00 0.00 C ATOM 959 CG2 ILE A 58 -0.080 6.499 1.981 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.630 4.385 1.213 1.00 0.00 C ATOM 0 H ILE A 58 3.022 7.340 4.330 1.00 0.00 H new ATOM 0 HA ILE A 58 2.338 8.094 1.642 1.00 0.00 H new ATOM 0 HB ILE A 58 1.208 6.125 3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.757 6.216 1.016 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.131 5.303 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.478 5.484 1.985 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.743 7.151 2.549 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.011 6.857 0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.361 3.800 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.211 3.775 2.013 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.831 4.702 0.542 1.00 0.00 H new ATOM 972 N GLN A 59 0.879 9.657 4.052 1.00 0.00 N ATOM 973 CA GLN A 59 -0.092 10.723 4.298 1.00 0.00 C ATOM 974 C GLN A 59 0.180 11.868 3.342 1.00 0.00 C ATOM 975 O GLN A 59 -0.728 12.416 2.718 1.00 0.00 O ATOM 976 CB GLN A 59 0.005 11.257 5.731 1.00 0.00 C ATOM 977 CG GLN A 59 -0.017 10.091 6.716 1.00 0.00 C ATOM 978 CD GLN A 59 -1.072 10.334 7.793 1.00 0.00 C ATOM 979 OE1 GLN A 59 -2.245 10.549 7.486 1.00 0.00 O ATOM 980 NE2 GLN A 59 -0.721 10.313 9.050 1.00 0.00 N ATOM 0 H GLN A 59 1.523 9.465 4.819 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.090 10.310 4.148 1.00 0.00 H new ATOM 0 HB2 GLN A 59 0.923 11.832 5.854 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.825 11.934 5.934 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.233 9.162 6.188 1.00 0.00 H new ATOM 0 HG3 GLN A 59 0.964 9.975 7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.250 10.135 9.305 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.418 10.475 9.777 1.00 0.00 H new ATOM 989 N GLU A 60 1.456 12.203 3.230 1.00 0.00 N ATOM 990 CA GLU A 60 1.875 13.278 2.334 1.00 0.00 C ATOM 991 C GLU A 60 1.592 12.883 0.888 1.00 0.00 C ATOM 992 O GLU A 60 1.195 13.708 0.065 1.00 0.00 O ATOM 993 CB GLU A 60 3.371 13.564 2.495 1.00 0.00 C ATOM 994 CG GLU A 60 3.628 15.063 2.324 1.00 0.00 C ATOM 995 CD GLU A 60 3.362 15.779 3.644 1.00 0.00 C ATOM 996 OE1 GLU A 60 3.962 15.397 4.635 1.00 0.00 O ATOM 997 OE2 GLU A 60 2.560 16.700 3.644 1.00 0.00 O ATOM 0 H GLU A 60 2.215 11.753 3.741 1.00 0.00 H new ATOM 0 HA GLU A 60 1.314 14.177 2.589 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.711 13.236 3.478 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.941 13.000 1.756 1.00 0.00 H new ATOM 0 HG2 GLU A 60 4.657 15.232 2.007 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.984 15.466 1.543 1.00 0.00 H new ATOM 1004 N TYR A 61 1.795 11.602 0.597 1.00 0.00 N ATOM 1005 CA TYR A 61 1.556 11.077 -0.745 1.00 0.00 C ATOM 1006 C TYR A 61 0.060 11.125 -1.055 1.00 0.00 C ATOM 1007 O TYR A 61 -0.368 11.711 -2.051 1.00 0.00 O ATOM 1008 CB TYR A 61 2.094 9.625 -0.829 1.00 0.00 C ATOM 1009 CG TYR A 61 1.430 8.828 -1.937 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.281 9.376 -3.214 1.00 0.00 C ATOM 1011 CD2 TYR A 61 0.955 7.543 -1.667 1.00 0.00 C ATOM 1012 CE1 TYR A 61 0.657 8.634 -4.225 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.330 6.800 -2.671 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.181 7.345 -3.953 1.00 0.00 C ATOM 1015 OH TYR A 61 -0.435 6.612 -4.948 1.00 0.00 O ATOM 0 H TYR A 61 2.124 10.909 1.270 1.00 0.00 H new ATOM 0 HA TYR A 61 2.078 11.686 -1.483 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.171 9.648 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 61 1.930 9.123 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.647 10.371 -3.421 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.071 7.122 -0.679 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.543 9.055 -5.213 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.038 5.807 -2.459 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.375 5.657 -4.735 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.722 10.495 -0.191 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.165 10.456 -0.370 1.00 0.00 C ATOM 1027 C LEU A 62 -2.744 11.869 -0.355 1.00 0.00 C ATOM 1028 O LEU A 62 -3.786 12.134 -0.955 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.803 9.625 0.750 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.879 8.685 0.181 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.969 9.501 -0.520 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -3.242 7.715 -0.821 1.00 0.00 C ATOM 0 H LEU A 62 -0.383 10.006 0.637 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.385 9.998 -1.334 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.036 9.042 1.260 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.247 10.287 1.494 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.325 8.120 1.000 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.727 8.828 -0.920 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.430 10.182 0.195 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.527 10.075 -1.335 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -4.008 7.051 -1.222 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.789 8.279 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.476 7.124 -0.319 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.051 12.776 0.330 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.501 14.162 0.406 1.00 0.00 C ATOM 1046 C GLU A 63 -2.420 14.813 -0.971 1.00 0.00 C ATOM 1047 O GLU A 63 -3.259 15.638 -1.335 1.00 0.00 O ATOM 1048 CB GLU A 63 -1.637 14.958 1.388 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.239 16.351 1.590 1.00 0.00 C ATOM 1050 CD GLU A 63 -1.202 17.265 2.234 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.155 17.310 3.452 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -0.471 17.907 1.498 1.00 0.00 O ATOM 0 H GLU A 63 -1.186 12.579 0.834 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.533 14.166 0.756 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.577 14.435 2.342 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.619 15.042 1.007 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.558 16.763 0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.125 16.288 2.221 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.399 14.431 -1.733 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.212 14.980 -3.074 1.00 0.00 C ATOM 1061 C LYS A 64 -2.039 14.198 -4.090 1.00 0.00 C ATOM 1062 O LYS A 64 -2.520 14.751 -5.079 1.00 0.00 O ATOM 1063 CB LYS A 64 0.263 14.917 -3.477 1.00 0.00 C ATOM 1064 CG LYS A 64 0.468 15.682 -4.786 1.00 0.00 C ATOM 1065 CD LYS A 64 0.374 14.712 -5.966 1.00 0.00 C ATOM 1066 CE LYS A 64 1.271 15.203 -7.103 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.644 14.653 -6.926 1.00 0.00 N ATOM 0 H LYS A 64 -0.694 13.750 -1.449 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.540 16.019 -3.061 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.884 15.347 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.574 13.879 -3.597 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.285 16.464 -4.884 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.440 16.174 -4.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.678 13.713 -5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.658 14.639 -6.309 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.863 14.889 -8.064 1.00 0.00 H new ATOM 0 HE3 LYS A 64 1.302 16.293 -7.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.254 14.987 -7.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.032 14.974 -6.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.606 13.614 -6.939 1.00 0.00 H new ATOM 1081 N ALA A 65 -2.198 12.902 -3.833 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.968 12.045 -4.733 1.00 0.00 C ATOM 1083 C ALA A 65 -4.479 12.207 -4.516 1.00 0.00 C ATOM 1084 O ALA A 65 -5.278 11.570 -5.202 1.00 0.00 O ATOM 1085 CB ALA A 65 -2.594 10.578 -4.515 1.00 0.00 C ATOM 0 H ALA A 65 -1.809 12.426 -3.019 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.727 12.348 -5.752 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.174 9.950 -5.191 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -1.531 10.440 -4.714 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -2.810 10.297 -3.484 1.00 0.00 H new ATOM 1091 N LEU A 66 -4.871 13.058 -3.562 1.00 0.00 N ATOM 1092 CA LEU A 66 -6.291 13.273 -3.287 1.00 0.00 C ATOM 1093 C LEU A 66 -6.950 11.973 -2.836 1.00 0.00 C ATOM 1094 O LEU A 66 -7.128 11.044 -3.622 1.00 0.00 O ATOM 1095 CB LEU A 66 -7.012 13.790 -4.535 1.00 0.00 C ATOM 1096 CG LEU A 66 -8.201 14.656 -4.116 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -8.483 15.697 -5.201 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -9.436 13.770 -3.929 1.00 0.00 C ATOM 0 H LEU A 66 -4.235 13.600 -2.977 1.00 0.00 H new ATOM 0 HA LEU A 66 -6.368 14.016 -2.493 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -6.325 14.371 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -7.355 12.953 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.969 15.161 -3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.330 16.314 -4.902 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -7.605 16.328 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.715 15.192 -6.139 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -10.284 14.386 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -9.667 13.265 -4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -9.237 13.027 -3.156 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.307 11.921 -1.556 1.00 0.00 N ATOM 1111 CA ASN A 67 -7.947 10.730 -1.003 1.00 0.00 C ATOM 1112 C ASN A 67 -9.391 10.628 -1.484 1.00 0.00 C ATOM 1113 O ASN A 67 -10.155 9.915 -0.855 1.00 0.00 O ATOM 1114 CB ASN A 67 -7.934 10.779 0.527 1.00 0.00 C ATOM 1115 CG ASN A 67 -8.092 9.368 1.083 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -7.735 8.391 0.424 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -8.611 9.202 2.267 1.00 0.00 N ATOM 1118 OXT ASN A 67 -9.711 11.266 -2.474 1.00 0.00 O ATOM 0 H ASN A 67 -7.167 12.679 -0.889 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.389 9.858 -1.344 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.000 11.218 0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.742 11.416 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -8.722 8.262 2.648 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -8.907 10.012 2.812 1.00 0.00 H new TER 1125 ASN A 67