USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=7 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 31 THR OG1 : rot -120:sc= 0 USER MOD Set 1.2: A 37 GLN : amide:sc= -3.8 K(o=-3.8,f=-9!) USER MOD Single : A 1 LYS N :NH3+ -122:sc= -0.0173 (180deg=-0.327) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 160:sc= -0.376 USER MOD Single : A 6 SER OG : rot -58:sc= 0.398 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0.00465 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.22 K(o=-1.2,f=-11!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -1.19 K(o=-1.2,f=-0.15) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.34 X(o=-0.34,f=-0.63) USER MOD Single : A 33 ASN : amide:sc= 0 K(o=0,f=0.55) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= 0.251 K(o=0.25,f=-3.4!) USER MOD Single : A 45 ASN : amide:sc= -0.638 K(o=-0.64,f=0) USER MOD Single : A 46 ASN : amide:sc= 0 K(o=0,f=-0.65) 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= -0.218 K(o=-0.22,f=0.33) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.507 X(o=-0.51,f=-0.88) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -1.254 -14.760 -16.104 1.00 0.00 N ATOM 2 CA LYS A 1 -2.180 -14.275 -15.042 1.00 0.00 C ATOM 3 C LYS A 1 -1.364 -13.762 -13.851 1.00 0.00 C ATOM 4 O LYS A 1 -0.273 -14.263 -13.581 1.00 0.00 O ATOM 5 CB LYS A 1 -3.079 -15.426 -14.585 1.00 0.00 C ATOM 6 CG LYS A 1 -4.036 -15.807 -15.716 1.00 0.00 C ATOM 7 CD LYS A 1 -4.935 -16.957 -15.259 1.00 0.00 C ATOM 8 CE LYS A 1 -5.579 -17.618 -16.479 1.00 0.00 C ATOM 9 NZ LYS A 1 -6.108 -18.958 -16.097 1.00 0.00 N ATOM 0 H1 LYS A 1 -1.432 -14.238 -16.985 1.00 0.00 H new ATOM 0 H2 LYS A 1 -0.270 -14.606 -15.804 1.00 0.00 H new ATOM 0 H3 LYS A 1 -1.412 -15.775 -16.265 1.00 0.00 H new ATOM 0 HA LYS A 1 -2.796 -13.467 -15.437 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -2.471 -16.286 -14.303 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -3.644 -15.131 -13.700 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.643 -14.947 -15.998 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -3.471 -16.102 -16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -4.351 -17.689 -14.701 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -5.706 -16.584 -14.585 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -6.385 -16.992 -16.861 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.847 -17.719 -17.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -6.546 -19.408 -16.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -5.328 -19.553 -15.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -6.819 -18.849 -15.346 1.00 0.00 H new ATOM 25 N PRO A 2 -1.876 -12.756 -13.121 1.00 0.00 N ATOM 26 CA PRO A 2 -1.172 -12.187 -11.955 1.00 0.00 C ATOM 27 C PRO A 2 -1.395 -12.996 -10.681 1.00 0.00 C ATOM 28 O PRO A 2 -0.519 -13.088 -9.821 1.00 0.00 O ATOM 29 CB PRO A 2 -1.792 -10.803 -11.829 1.00 0.00 C ATOM 30 CG PRO A 2 -3.163 -10.868 -12.486 1.00 0.00 C ATOM 31 CD PRO A 2 -3.183 -12.104 -13.391 1.00 0.00 C ATOM 0 HA PRO A 2 -0.090 -12.180 -12.089 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -1.880 -10.514 -10.782 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -1.166 -10.054 -12.315 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -3.947 -10.933 -11.731 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -3.353 -9.965 -13.066 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -4.017 -12.763 -13.151 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -3.285 -11.830 -14.441 1.00 0.00 H new ATOM 39 N VAL A 3 -2.582 -13.580 -10.578 1.00 0.00 N ATOM 40 CA VAL A 3 -2.932 -14.387 -9.409 1.00 0.00 C ATOM 41 C VAL A 3 -4.337 -14.966 -9.570 1.00 0.00 C ATOM 42 O VAL A 3 -4.596 -16.119 -9.225 1.00 0.00 O ATOM 43 CB VAL A 3 -2.857 -13.537 -8.127 1.00 0.00 C ATOM 44 CG1 VAL A 3 -3.856 -12.379 -8.204 1.00 0.00 C ATOM 45 CG2 VAL A 3 -3.176 -14.406 -6.904 1.00 0.00 C ATOM 0 H VAL A 3 -3.316 -13.513 -11.283 1.00 0.00 H new ATOM 0 HA VAL A 3 -2.218 -15.206 -9.328 1.00 0.00 H new ATOM 0 HB VAL A 3 -1.848 -13.135 -8.032 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.795 -11.784 -7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.620 -11.751 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -4.866 -12.776 -8.311 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -3.121 -13.798 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -4.180 -14.819 -7.003 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -2.454 -15.220 -6.838 1.00 0.00 H new ATOM 55 N SER A 4 -5.233 -14.145 -10.096 1.00 0.00 N ATOM 56 CA SER A 4 -6.615 -14.569 -10.306 1.00 0.00 C ATOM 57 C SER A 4 -7.387 -13.502 -11.076 1.00 0.00 C ATOM 58 O SER A 4 -6.999 -12.334 -11.109 1.00 0.00 O ATOM 59 CB SER A 4 -7.309 -14.816 -8.967 1.00 0.00 C ATOM 60 OG SER A 4 -8.298 -15.822 -9.129 1.00 0.00 O ATOM 0 H SER A 4 -5.033 -13.187 -10.385 1.00 0.00 H new ATOM 0 HA SER A 4 -6.599 -15.494 -10.882 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.580 -15.124 -8.218 1.00 0.00 H new ATOM 0 HB3 SER A 4 -7.767 -13.895 -8.606 1.00 0.00 H new ATOM 0 HG SER A 4 -8.517 -16.209 -8.256 1.00 0.00 H new ATOM 66 N LEU A 5 -8.488 -13.918 -11.695 1.00 0.00 N ATOM 67 CA LEU A 5 -9.315 -12.993 -12.465 1.00 0.00 C ATOM 68 C LEU A 5 -10.793 -13.244 -12.187 1.00 0.00 C ATOM 69 O LEU A 5 -11.279 -14.369 -12.297 1.00 0.00 O ATOM 70 CB LEU A 5 -9.053 -13.159 -13.963 1.00 0.00 C ATOM 71 CG LEU A 5 -9.744 -12.029 -14.731 1.00 0.00 C ATOM 72 CD1 LEU A 5 -8.795 -10.835 -14.845 1.00 0.00 C ATOM 73 CD2 LEU A 5 -10.115 -12.520 -16.132 1.00 0.00 C ATOM 0 H LEU A 5 -8.826 -14.880 -11.680 1.00 0.00 H new ATOM 0 HA LEU A 5 -9.056 -11.978 -12.163 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -7.981 -13.144 -14.159 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -9.426 -14.125 -14.303 1.00 0.00 H new ATOM 0 HG LEU A 5 -10.646 -11.726 -14.200 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -9.287 -10.030 -15.392 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -8.528 -10.486 -13.848 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -7.893 -11.137 -15.377 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -10.607 -11.717 -16.681 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -9.212 -12.822 -16.663 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -10.790 -13.372 -16.052 1.00 0.00 H new ATOM 85 N SER A 6 -11.504 -12.177 -11.827 1.00 0.00 N ATOM 86 CA SER A 6 -12.933 -12.286 -11.533 1.00 0.00 C ATOM 87 C SER A 6 -13.164 -13.226 -10.353 1.00 0.00 C ATOM 88 O SER A 6 -14.172 -13.928 -10.287 1.00 0.00 O ATOM 89 CB SER A 6 -13.696 -12.813 -12.749 1.00 0.00 C ATOM 90 OG SER A 6 -15.091 -12.633 -12.543 1.00 0.00 O ATOM 0 H SER A 6 -11.120 -11.237 -11.732 1.00 0.00 H new ATOM 0 HA SER A 6 -13.300 -11.291 -11.282 1.00 0.00 H new ATOM 0 HB2 SER A 6 -13.379 -12.285 -13.648 1.00 0.00 H new ATOM 0 HB3 SER A 6 -13.473 -13.869 -12.903 1.00 0.00 H new ATOM 0 HG SER A 6 -15.365 -13.107 -11.730 1.00 0.00 H new ATOM 96 N TYR A 7 -12.216 -13.228 -9.420 1.00 0.00 N ATOM 97 CA TYR A 7 -12.321 -14.084 -8.241 1.00 0.00 C ATOM 98 C TYR A 7 -12.443 -13.238 -6.979 1.00 0.00 C ATOM 99 O TYR A 7 -13.510 -13.145 -6.372 1.00 0.00 O ATOM 100 CB TYR A 7 -11.090 -14.996 -8.127 1.00 0.00 C ATOM 101 CG TYR A 7 -11.416 -16.368 -8.671 1.00 0.00 C ATOM 102 CD1 TYR A 7 -11.232 -16.643 -10.030 1.00 0.00 C ATOM 103 CD2 TYR A 7 -11.903 -17.363 -7.814 1.00 0.00 C ATOM 104 CE1 TYR A 7 -11.533 -17.915 -10.533 1.00 0.00 C ATOM 105 CE2 TYR A 7 -12.205 -18.634 -8.318 1.00 0.00 C ATOM 106 CZ TYR A 7 -12.021 -18.910 -9.678 1.00 0.00 C ATOM 107 OH TYR A 7 -12.318 -20.162 -10.174 1.00 0.00 O ATOM 0 H TYR A 7 -11.374 -12.653 -9.455 1.00 0.00 H new ATOM 0 HA TYR A 7 -13.214 -14.700 -8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -10.255 -14.565 -8.679 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -10.778 -15.073 -7.085 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -10.858 -15.875 -10.691 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -12.046 -17.150 -6.765 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -11.388 -18.128 -11.582 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -12.580 -19.402 -7.657 1.00 0.00 H new ATOM 0 HH TYR A 7 -12.644 -20.733 -9.447 1.00 0.00 H new ATOM 117 N ARG A 8 -11.333 -12.625 -6.595 1.00 0.00 N ATOM 118 CA ARG A 8 -11.310 -11.784 -5.402 1.00 0.00 C ATOM 119 C ARG A 8 -10.400 -10.579 -5.615 1.00 0.00 C ATOM 120 O ARG A 8 -9.816 -10.401 -6.684 1.00 0.00 O ATOM 121 CB ARG A 8 -10.807 -12.581 -4.197 1.00 0.00 C ATOM 122 CG ARG A 8 -11.990 -13.265 -3.506 1.00 0.00 C ATOM 123 CD ARG A 8 -12.146 -14.690 -4.044 1.00 0.00 C ATOM 124 NE ARG A 8 -12.573 -15.596 -2.981 1.00 0.00 N ATOM 125 CZ ARG A 8 -12.837 -16.875 -3.234 1.00 0.00 C ATOM 126 NH1 ARG A 8 -12.067 -17.553 -4.041 1.00 0.00 N ATOM 127 NH2 ARG A 8 -13.867 -17.451 -2.677 1.00 0.00 N ATOM 0 H ARG A 8 -10.442 -12.692 -7.086 1.00 0.00 H new ATOM 0 HA ARG A 8 -12.327 -11.441 -5.213 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -10.080 -13.326 -4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -10.297 -11.919 -3.497 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -11.831 -13.288 -2.428 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -12.904 -12.697 -3.681 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -12.876 -14.701 -4.854 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -11.200 -15.032 -4.463 1.00 0.00 H new ATOM 0 HE ARG A 8 -12.670 -15.242 -2.029 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -11.263 -17.102 -4.478 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -12.269 -18.534 -4.235 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -14.470 -16.921 -2.048 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -14.070 -18.432 -2.871 1.00 0.00 H new ATOM 141 N CYS A 9 -10.289 -9.751 -4.580 1.00 0.00 N ATOM 142 CA CYS A 9 -9.448 -8.557 -4.652 1.00 0.00 C ATOM 143 C CYS A 9 -7.973 -8.964 -4.764 1.00 0.00 C ATOM 144 O CYS A 9 -7.615 -10.092 -4.425 1.00 0.00 O ATOM 145 CB CYS A 9 -9.640 -7.677 -3.406 1.00 0.00 C ATOM 146 SG CYS A 9 -11.410 -7.416 -3.101 1.00 0.00 S ATOM 0 H CYS A 9 -10.766 -9.882 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 9 -9.741 -7.986 -5.533 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -9.179 -8.152 -2.540 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -9.141 -6.718 -3.547 1.00 0.00 H new ATOM 151 N PRO A 10 -7.099 -8.063 -5.240 1.00 0.00 N ATOM 152 CA PRO A 10 -5.660 -8.364 -5.388 1.00 0.00 C ATOM 153 C PRO A 10 -4.899 -8.271 -4.069 1.00 0.00 C ATOM 154 O PRO A 10 -4.378 -9.267 -3.567 1.00 0.00 O ATOM 155 CB PRO A 10 -5.189 -7.301 -6.371 1.00 0.00 C ATOM 156 CG PRO A 10 -6.168 -6.141 -6.275 1.00 0.00 C ATOM 157 CD PRO A 10 -7.460 -6.685 -5.661 1.00 0.00 C ATOM 0 HA PRO A 10 -5.484 -9.385 -5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -4.178 -6.973 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.161 -7.699 -7.385 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.757 -5.341 -5.659 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.360 -5.717 -7.261 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.786 -6.081 -4.815 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.276 -6.688 -6.384 1.00 0.00 H new ATOM 165 N CYS A 11 -4.844 -7.067 -3.510 1.00 0.00 N ATOM 166 CA CYS A 11 -4.145 -6.865 -2.244 1.00 0.00 C ATOM 167 C CYS A 11 -4.827 -7.657 -1.136 1.00 0.00 C ATOM 168 O CYS A 11 -6.039 -7.871 -1.154 1.00 0.00 O ATOM 169 CB CYS A 11 -4.131 -5.384 -1.855 1.00 0.00 C ATOM 170 SG CYS A 11 -2.756 -4.546 -2.685 1.00 0.00 S ATOM 0 H CYS A 11 -5.268 -6.227 -3.905 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.119 -7.210 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.075 -4.916 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.032 -5.283 -0.774 1.00 0.00 H new ATOM 175 N ARG A 12 -4.026 -8.085 -0.171 1.00 0.00 N ATOM 176 CA ARG A 12 -4.540 -8.856 0.959 1.00 0.00 C ATOM 177 C ARG A 12 -3.733 -8.534 2.207 1.00 0.00 C ATOM 178 O ARG A 12 -4.284 -8.233 3.266 1.00 0.00 O ATOM 179 CB ARG A 12 -4.451 -10.356 0.674 1.00 0.00 C ATOM 180 CG ARG A 12 -5.400 -10.716 -0.471 1.00 0.00 C ATOM 181 CD ARG A 12 -5.950 -12.128 -0.255 1.00 0.00 C ATOM 182 NE ARG A 12 -7.015 -12.118 0.745 1.00 0.00 N ATOM 183 CZ ARG A 12 -8.288 -12.269 0.391 1.00 0.00 C ATOM 184 NH1 ARG A 12 -8.818 -11.473 -0.496 1.00 0.00 N ATOM 185 NH2 ARG A 12 -9.008 -13.213 0.933 1.00 0.00 N ATOM 0 H ARG A 12 -3.021 -7.914 -0.145 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.585 -8.588 1.113 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.428 -10.627 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.711 -10.923 1.568 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.219 -9.999 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.874 -10.661 -1.424 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -6.332 -12.523 -1.196 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -5.147 -12.791 0.067 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.779 -11.993 1.729 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.256 -10.734 -0.919 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.794 -11.589 -0.767 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.594 -13.835 1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.984 -13.329 0.662 1.00 0.00 H new ATOM 199 N PHE A 13 -2.415 -8.589 2.059 1.00 0.00 N ATOM 200 CA PHE A 13 -1.518 -8.288 3.171 1.00 0.00 C ATOM 201 C PHE A 13 -0.834 -6.952 2.915 1.00 0.00 C ATOM 202 O PHE A 13 -0.289 -6.715 1.836 1.00 0.00 O ATOM 203 CB PHE A 13 -0.446 -9.370 3.327 1.00 0.00 C ATOM 204 CG PHE A 13 -1.088 -10.738 3.318 1.00 0.00 C ATOM 205 CD1 PHE A 13 -1.725 -11.222 4.467 1.00 0.00 C ATOM 206 CD2 PHE A 13 -1.045 -11.523 2.159 1.00 0.00 C ATOM 207 CE1 PHE A 13 -2.319 -12.490 4.458 1.00 0.00 C ATOM 208 CE2 PHE A 13 -1.640 -12.791 2.150 1.00 0.00 C ATOM 209 CZ PHE A 13 -2.276 -13.274 3.300 1.00 0.00 C ATOM 0 H PHE A 13 -1.945 -8.837 1.188 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.109 -8.249 4.086 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.280 -9.294 2.517 1.00 0.00 H new ATOM 0 HB3 PHE A 13 0.100 -9.221 4.259 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.758 -10.617 5.361 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -0.553 -11.151 1.272 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -2.810 -12.863 5.345 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.608 -13.396 1.256 1.00 0.00 H new ATOM 0 HZ PHE A 13 -2.734 -14.252 3.293 1.00 0.00 H new ATOM 219 N PHE A 14 -0.874 -6.077 3.910 1.00 0.00 N ATOM 220 CA PHE A 14 -0.260 -4.762 3.767 1.00 0.00 C ATOM 221 C PHE A 14 0.996 -4.651 4.618 1.00 0.00 C ATOM 222 O PHE A 14 1.007 -5.027 5.790 1.00 0.00 O ATOM 223 CB PHE A 14 -1.235 -3.661 4.183 1.00 0.00 C ATOM 224 CG PHE A 14 -2.181 -3.378 3.046 1.00 0.00 C ATOM 225 CD1 PHE A 14 -3.011 -4.390 2.550 1.00 0.00 C ATOM 226 CD2 PHE A 14 -2.225 -2.100 2.488 1.00 0.00 C ATOM 227 CE1 PHE A 14 -3.885 -4.119 1.491 1.00 0.00 C ATOM 228 CE2 PHE A 14 -3.098 -1.827 1.430 1.00 0.00 C ATOM 229 CZ PHE A 14 -3.929 -2.837 0.930 1.00 0.00 C ATOM 0 H PHE A 14 -1.318 -6.248 4.812 1.00 0.00 H new ATOM 0 HA PHE A 14 0.004 -4.640 2.716 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.793 -3.969 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.688 -2.757 4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.977 -5.378 2.984 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.584 -1.321 2.873 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -4.526 -4.899 1.107 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -3.131 -0.837 0.999 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.603 -2.627 0.113 1.00 0.00 H new ATOM 239 N GLU A 15 2.052 -4.119 4.013 1.00 0.00 N ATOM 240 CA GLU A 15 3.312 -3.950 4.724 1.00 0.00 C ATOM 241 C GLU A 15 3.442 -2.513 5.225 1.00 0.00 C ATOM 242 O GLU A 15 4.171 -1.702 4.655 1.00 0.00 O ATOM 243 CB GLU A 15 4.494 -4.275 3.807 1.00 0.00 C ATOM 244 CG GLU A 15 4.429 -5.746 3.391 1.00 0.00 C ATOM 245 CD GLU A 15 5.168 -6.599 4.417 1.00 0.00 C ATOM 246 OE1 GLU A 15 6.246 -6.199 4.823 1.00 0.00 O ATOM 247 OE2 GLU A 15 4.644 -7.638 4.782 1.00 0.00 O ATOM 0 H GLU A 15 2.061 -3.801 3.044 1.00 0.00 H new ATOM 0 HA GLU A 15 3.321 -4.634 5.572 1.00 0.00 H new ATOM 0 HB2 GLU A 15 4.470 -3.635 2.925 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.433 -4.073 4.322 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.390 -6.068 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.875 -5.876 2.405 1.00 0.00 H new ATOM 254 N SER A 16 2.723 -2.204 6.302 1.00 0.00 N ATOM 255 CA SER A 16 2.769 -0.857 6.872 1.00 0.00 C ATOM 256 C SER A 16 4.195 -0.499 7.287 1.00 0.00 C ATOM 257 O SER A 16 4.578 0.669 7.294 1.00 0.00 O ATOM 258 CB SER A 16 1.849 -0.751 8.089 1.00 0.00 C ATOM 259 OG SER A 16 2.019 -1.899 8.909 1.00 0.00 O ATOM 0 H SER A 16 2.110 -2.856 6.792 1.00 0.00 H new ATOM 0 HA SER A 16 2.430 -0.160 6.106 1.00 0.00 H new ATOM 0 HB2 SER A 16 2.079 0.152 8.655 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.810 -0.670 7.768 1.00 0.00 H new ATOM 0 HG SER A 16 1.432 -1.833 9.691 1.00 0.00 H new ATOM 265 N HIS A 17 4.982 -1.521 7.624 1.00 0.00 N ATOM 266 CA HIS A 17 6.372 -1.301 8.024 1.00 0.00 C ATOM 267 C HIS A 17 7.154 -0.594 6.914 1.00 0.00 C ATOM 268 O HIS A 17 8.187 0.026 7.166 1.00 0.00 O ATOM 269 CB HIS A 17 7.052 -2.635 8.339 1.00 0.00 C ATOM 270 CG HIS A 17 6.666 -3.082 9.721 1.00 0.00 C ATOM 271 ND1 HIS A 17 5.668 -4.019 9.943 1.00 0.00 N ATOM 272 CD2 HIS A 17 7.132 -2.730 10.964 1.00 0.00 C ATOM 273 CE1 HIS A 17 5.568 -4.197 11.273 1.00 0.00 C ATOM 274 NE2 HIS A 17 6.438 -3.434 11.942 1.00 0.00 N ATOM 0 H HIS A 17 4.686 -2.497 7.628 1.00 0.00 H new ATOM 0 HA HIS A 17 6.366 -0.672 8.914 1.00 0.00 H new ATOM 0 HB2 HIS A 17 6.758 -3.387 7.607 1.00 0.00 H new ATOM 0 HB3 HIS A 17 8.135 -2.529 8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 17 7.919 -2.015 11.153 1.00 0.00 H new ATOM 0 HE1 HIS A 17 4.870 -4.874 11.743 1.00 0.00 H new ATOM 0 HE2 HIS A 17 6.565 -3.380 12.953 1.00 0.00 H new ATOM 282 N VAL A 18 6.650 -0.689 5.678 1.00 0.00 N ATOM 283 CA VAL A 18 7.301 -0.055 4.537 1.00 0.00 C ATOM 284 C VAL A 18 7.486 1.441 4.786 1.00 0.00 C ATOM 285 O VAL A 18 6.780 2.052 5.589 1.00 0.00 O ATOM 286 CB VAL A 18 6.457 -0.265 3.266 1.00 0.00 C ATOM 287 CG1 VAL A 18 7.118 0.412 2.059 1.00 0.00 C ATOM 288 CG2 VAL A 18 6.334 -1.765 2.988 1.00 0.00 C ATOM 0 H VAL A 18 5.796 -1.198 5.448 1.00 0.00 H new ATOM 0 HA VAL A 18 8.281 -0.513 4.402 1.00 0.00 H new ATOM 0 HB VAL A 18 5.473 0.176 3.423 1.00 0.00 H new ATOM 0 HG11 VAL A 18 6.506 0.252 1.172 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.211 1.482 2.247 1.00 0.00 H new ATOM 0 HG13 VAL A 18 8.108 -0.015 1.899 1.00 0.00 H new ATOM 0 HG21 VAL A 18 5.737 -1.921 2.089 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.327 -2.191 2.843 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.850 -2.253 3.834 1.00 0.00 H new ATOM 298 N ALA A 19 8.447 2.011 4.077 1.00 0.00 N ATOM 299 CA ALA A 19 8.745 3.429 4.196 1.00 0.00 C ATOM 300 C ALA A 19 9.195 3.969 2.845 1.00 0.00 C ATOM 301 O ALA A 19 9.890 3.293 2.088 1.00 0.00 O ATOM 302 CB ALA A 19 9.851 3.664 5.225 1.00 0.00 C ATOM 0 H ALA A 19 9.036 1.511 3.411 1.00 0.00 H new ATOM 0 HA ALA A 19 7.843 3.946 4.524 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.059 4.732 5.299 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.530 3.289 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.754 3.139 4.914 1.00 0.00 H new ATOM 308 N ARG A 20 8.783 5.197 2.548 1.00 0.00 N ATOM 309 CA ARG A 20 9.128 5.847 1.277 1.00 0.00 C ATOM 310 C ARG A 20 10.608 5.669 0.919 1.00 0.00 C ATOM 311 O ARG A 20 10.977 5.662 -0.256 1.00 0.00 O ATOM 312 CB ARG A 20 8.819 7.337 1.351 1.00 0.00 C ATOM 313 CG ARG A 20 8.591 7.887 -0.058 1.00 0.00 C ATOM 314 CD ARG A 20 7.939 9.266 0.030 1.00 0.00 C ATOM 315 NE ARG A 20 8.954 10.312 0.134 1.00 0.00 N ATOM 316 CZ ARG A 20 9.771 10.372 1.181 1.00 0.00 C ATOM 317 NH1 ARG A 20 9.378 10.950 2.284 1.00 0.00 N ATOM 318 NH2 ARG A 20 10.966 9.852 1.107 1.00 0.00 N ATOM 0 H ARG A 20 8.208 5.768 3.168 1.00 0.00 H new ATOM 0 HA ARG A 20 8.527 5.370 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.934 7.505 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.643 7.866 1.829 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.540 7.955 -0.591 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.955 7.208 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 20 7.321 9.438 -0.851 1.00 0.00 H new ATOM 0 HD3 ARG A 20 7.278 9.307 0.896 1.00 0.00 H new ATOM 0 HE ARG A 20 9.037 11.007 -0.608 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.444 11.356 2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.005 10.996 3.087 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.273 9.400 0.246 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.593 9.898 1.910 1.00 0.00 H new ATOM 332 N ALA A 21 11.448 5.524 1.940 1.00 0.00 N ATOM 333 CA ALA A 21 12.881 5.348 1.716 1.00 0.00 C ATOM 334 C ALA A 21 13.147 4.102 0.879 1.00 0.00 C ATOM 335 O ALA A 21 13.661 4.182 -0.237 1.00 0.00 O ATOM 336 CB ALA A 21 13.621 5.220 3.049 1.00 0.00 C ATOM 0 H ALA A 21 11.166 5.525 2.920 1.00 0.00 H new ATOM 0 HA ALA A 21 13.244 6.226 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 21 14.687 5.090 2.862 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.464 6.122 3.640 1.00 0.00 H new ATOM 0 HB3 ALA A 21 13.240 4.357 3.595 1.00 0.00 H new ATOM 342 N ASN A 22 12.789 2.949 1.430 1.00 0.00 N ATOM 343 CA ASN A 22 12.992 1.686 0.726 1.00 0.00 C ATOM 344 C ASN A 22 12.006 1.530 -0.437 1.00 0.00 C ATOM 345 O ASN A 22 12.175 0.654 -1.283 1.00 0.00 O ATOM 346 CB ASN A 22 12.841 0.500 1.683 1.00 0.00 C ATOM 347 CG ASN A 22 11.544 0.620 2.476 1.00 0.00 C ATOM 348 OD1 ASN A 22 11.332 1.600 3.189 1.00 0.00 O ATOM 349 ND2 ASN A 22 10.657 -0.335 2.399 1.00 0.00 N ATOM 0 H ASN A 22 12.361 2.860 2.352 1.00 0.00 H new ATOM 0 HA ASN A 22 14.006 1.699 0.325 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.845 -0.433 1.120 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.690 0.464 2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.789 -0.268 2.930 1.00 0.00 H new ATOM 0 HD22 ASN A 22 10.832 -1.148 1.808 1.00 0.00 H new ATOM 356 N VAL A 23 10.987 2.391 -0.494 1.00 0.00 N ATOM 357 CA VAL A 23 10.019 2.320 -1.586 1.00 0.00 C ATOM 358 C VAL A 23 10.606 3.001 -2.818 1.00 0.00 C ATOM 359 O VAL A 23 11.167 4.093 -2.727 1.00 0.00 O ATOM 360 CB VAL A 23 8.707 3.010 -1.202 1.00 0.00 C ATOM 361 CG1 VAL A 23 7.663 2.778 -2.297 1.00 0.00 C ATOM 362 CG2 VAL A 23 8.191 2.437 0.125 1.00 0.00 C ATOM 0 H VAL A 23 10.814 3.129 0.188 1.00 0.00 H new ATOM 0 HA VAL A 23 9.808 1.272 -1.797 1.00 0.00 H new ATOM 0 HB VAL A 23 8.884 4.080 -1.091 1.00 0.00 H new ATOM 0 HG11 VAL A 23 6.731 3.270 -2.021 1.00 0.00 H new ATOM 0 HG12 VAL A 23 8.026 3.190 -3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 23 7.488 1.708 -2.412 1.00 0.00 H new ATOM 0 HG21 VAL A 23 7.257 2.930 0.396 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.018 1.366 0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 23 8.931 2.607 0.907 1.00 0.00 H new ATOM 372 N LYS A 24 10.494 2.341 -3.965 1.00 0.00 N ATOM 373 CA LYS A 24 11.047 2.900 -5.199 1.00 0.00 C ATOM 374 C LYS A 24 9.959 3.193 -6.226 1.00 0.00 C ATOM 375 O LYS A 24 10.111 4.087 -7.060 1.00 0.00 O ATOM 376 CB LYS A 24 12.063 1.936 -5.819 1.00 0.00 C ATOM 377 CG LYS A 24 11.439 0.544 -5.973 1.00 0.00 C ATOM 378 CD LYS A 24 11.826 -0.049 -7.331 1.00 0.00 C ATOM 379 CE LYS A 24 13.275 -0.538 -7.284 1.00 0.00 C ATOM 380 NZ LYS A 24 13.613 -1.215 -8.568 1.00 0.00 N ATOM 0 H LYS A 24 10.035 1.436 -4.070 1.00 0.00 H new ATOM 0 HA LYS A 24 11.536 3.836 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.384 2.309 -6.791 1.00 0.00 H new ATOM 0 HB3 LYS A 24 12.952 1.878 -5.191 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.781 -0.109 -5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 24 10.354 0.610 -5.890 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.161 -0.875 -7.581 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.710 0.701 -8.113 1.00 0.00 H new ATOM 0 HE2 LYS A 24 13.948 0.302 -7.115 1.00 0.00 H new ATOM 0 HE3 LYS A 24 13.411 -1.227 -6.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.598 -1.548 -8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.978 -2.026 -8.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.499 -0.544 -9.355 1.00 0.00 H new ATOM 394 N HIS A 25 8.866 2.435 -6.179 1.00 0.00 N ATOM 395 CA HIS A 25 7.785 2.648 -7.140 1.00 0.00 C ATOM 396 C HIS A 25 6.419 2.439 -6.500 1.00 0.00 C ATOM 397 O HIS A 25 6.239 1.572 -5.644 1.00 0.00 O ATOM 398 CB HIS A 25 7.929 1.688 -8.322 1.00 0.00 C ATOM 399 CG HIS A 25 7.090 2.176 -9.470 1.00 0.00 C ATOM 400 ND1 HIS A 25 7.635 2.857 -10.547 1.00 0.00 N ATOM 401 CD2 HIS A 25 5.742 2.089 -9.723 1.00 0.00 C ATOM 402 CE1 HIS A 25 6.629 3.150 -11.391 1.00 0.00 C ATOM 403 NE2 HIS A 25 5.455 2.705 -10.937 1.00 0.00 N ATOM 0 H HIS A 25 8.706 1.686 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 25 7.857 3.679 -7.485 1.00 0.00 H new ATOM 0 HB2 HIS A 25 8.974 1.621 -8.624 1.00 0.00 H new ATOM 0 HB3 HIS A 25 7.617 0.685 -8.030 1.00 0.00 H new ATOM 0 HD2 HIS A 25 5.017 1.615 -9.078 1.00 0.00 H new ATOM 0 HE1 HIS A 25 6.756 3.681 -12.323 1.00 0.00 H new ATOM 0 HE2 HIS A 25 4.543 2.797 -11.384 1.00 0.00 H new ATOM 411 N LEU A 26 5.452 3.242 -6.942 1.00 0.00 N ATOM 412 CA LEU A 26 4.091 3.138 -6.427 1.00 0.00 C ATOM 413 C LEU A 26 3.131 2.779 -7.550 1.00 0.00 C ATOM 414 O LEU A 26 3.297 3.204 -8.694 1.00 0.00 O ATOM 415 CB LEU A 26 3.621 4.461 -5.816 1.00 0.00 C ATOM 416 CG LEU A 26 4.130 4.623 -4.378 1.00 0.00 C ATOM 417 CD1 LEU A 26 3.584 5.935 -3.809 1.00 0.00 C ATOM 418 CD2 LEU A 26 3.638 3.464 -3.505 1.00 0.00 C ATOM 0 H LEU A 26 5.585 3.965 -7.649 1.00 0.00 H new ATOM 0 HA LEU A 26 4.097 2.364 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.976 5.292 -6.425 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.532 4.502 -5.825 1.00 0.00 H new ATOM 0 HG LEU A 26 5.220 4.628 -4.382 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.938 6.063 -2.786 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.930 6.769 -4.420 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.494 5.909 -3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.007 3.593 -2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.548 3.452 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.008 2.522 -3.909 1.00 0.00 H new ATOM 430 N LYS A 27 2.117 2.003 -7.203 1.00 0.00 N ATOM 431 CA LYS A 27 1.108 1.594 -8.177 1.00 0.00 C ATOM 432 C LYS A 27 -0.223 1.357 -7.467 1.00 0.00 C ATOM 433 O LYS A 27 -0.264 1.191 -6.251 1.00 0.00 O ATOM 434 CB LYS A 27 1.544 0.310 -8.901 1.00 0.00 C ATOM 435 CG LYS A 27 1.899 0.628 -10.358 1.00 0.00 C ATOM 436 CD LYS A 27 1.669 -0.616 -11.224 1.00 0.00 C ATOM 437 CE LYS A 27 1.083 -0.200 -12.575 1.00 0.00 C ATOM 438 NZ LYS A 27 0.265 -1.317 -13.127 1.00 0.00 N ATOM 0 H LYS A 27 1.968 1.643 -6.260 1.00 0.00 H new ATOM 0 HA LYS A 27 0.993 2.388 -8.915 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.404 -0.129 -8.395 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.743 -0.428 -8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.288 1.454 -10.720 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.939 0.946 -10.429 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.609 -1.147 -11.372 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.991 -1.303 -10.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.468 0.692 -12.457 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.885 0.055 -13.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.133 -1.035 -14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.865 -2.157 -13.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.508 -1.540 -12.468 1.00 0.00 H new ATOM 452 N ILE A 28 -1.309 1.349 -8.233 1.00 0.00 N ATOM 453 CA ILE A 28 -2.628 1.136 -7.656 1.00 0.00 C ATOM 454 C ILE A 28 -3.478 0.265 -8.577 1.00 0.00 C ATOM 455 O ILE A 28 -3.332 0.298 -9.800 1.00 0.00 O ATOM 456 CB ILE A 28 -3.333 2.476 -7.439 1.00 0.00 C ATOM 457 CG1 ILE A 28 -2.437 3.393 -6.603 1.00 0.00 C ATOM 458 CG2 ILE A 28 -4.650 2.246 -6.701 1.00 0.00 C ATOM 459 CD1 ILE A 28 -1.562 4.237 -7.530 1.00 0.00 C ATOM 0 H ILE A 28 -1.301 1.486 -9.244 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.503 0.632 -6.698 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.533 2.941 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -3.048 4.040 -5.974 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -1.811 2.799 -5.937 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.152 3.201 -6.547 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.289 1.591 -7.293 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.450 1.781 -5.736 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -0.924 4.890 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -0.941 3.582 -8.140 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -2.196 4.842 -8.178 1.00 0.00 H new ATOM 471 N LEU A 29 -4.373 -0.511 -7.974 1.00 0.00 N ATOM 472 CA LEU A 29 -5.252 -1.386 -8.743 1.00 0.00 C ATOM 473 C LEU A 29 -6.711 -1.021 -8.491 1.00 0.00 C ATOM 474 O LEU A 29 -7.229 -1.200 -7.389 1.00 0.00 O ATOM 475 CB LEU A 29 -5.030 -2.849 -8.357 1.00 0.00 C ATOM 476 CG LEU A 29 -3.598 -3.257 -8.706 1.00 0.00 C ATOM 477 CD1 LEU A 29 -3.324 -4.667 -8.180 1.00 0.00 C ATOM 478 CD2 LEU A 29 -3.420 -3.238 -10.226 1.00 0.00 C ATOM 0 H LEU A 29 -4.509 -0.552 -6.964 1.00 0.00 H new ATOM 0 HA LEU A 29 -5.018 -1.254 -9.799 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.209 -2.986 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.740 -3.487 -8.884 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.900 -2.557 -8.247 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.303 -4.956 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -3.451 -4.683 -7.098 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.022 -5.368 -8.638 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.400 -3.529 -10.477 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -4.119 -3.938 -10.683 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -3.614 -2.234 -10.603 1.00 0.00 H new ATOM 490 N ASN A 30 -7.365 -0.503 -9.525 1.00 0.00 N ATOM 491 CA ASN A 30 -8.766 -0.108 -9.409 1.00 0.00 C ATOM 492 C ASN A 30 -9.676 -1.326 -9.524 1.00 0.00 C ATOM 493 O ASN A 30 -10.146 -1.669 -10.609 1.00 0.00 O ATOM 494 CB ASN A 30 -9.133 0.893 -10.505 1.00 0.00 C ATOM 495 CG ASN A 30 -10.453 1.571 -10.154 1.00 0.00 C ATOM 496 OD1 ASN A 30 -11.510 0.943 -10.197 1.00 0.00 O ATOM 497 ND2 ASN A 30 -10.455 2.829 -9.807 1.00 0.00 N ATOM 0 H ASN A 30 -6.953 -0.347 -10.445 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.903 0.357 -8.433 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -8.345 1.639 -10.609 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.218 0.383 -11.465 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.333 3.292 -9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -9.579 3.350 -9.771 1.00 0.00 H new ATOM 504 N THR A 31 -9.923 -1.973 -8.389 1.00 0.00 N ATOM 505 CA THR A 31 -10.783 -3.153 -8.365 1.00 0.00 C ATOM 506 C THR A 31 -12.191 -2.768 -7.893 1.00 0.00 C ATOM 507 O THR A 31 -12.340 -1.889 -7.045 1.00 0.00 O ATOM 508 CB THR A 31 -10.208 -4.211 -7.418 1.00 0.00 C ATOM 509 OG1 THR A 31 -8.799 -4.047 -7.325 1.00 0.00 O ATOM 510 CG2 THR A 31 -10.524 -5.608 -7.953 1.00 0.00 C ATOM 0 H THR A 31 -9.544 -1.704 -7.481 1.00 0.00 H new ATOM 0 HA THR A 31 -10.835 -3.562 -9.374 1.00 0.00 H new ATOM 0 HB THR A 31 -10.655 -4.093 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.354 -4.866 -7.627 1.00 0.00 H new ATOM 0 HG21 THR A 31 -10.113 -6.358 -7.277 1.00 0.00 H new ATOM 0 HG22 THR A 31 -11.604 -5.735 -8.023 1.00 0.00 H new ATOM 0 HG23 THR A 31 -10.080 -5.728 -8.941 1.00 0.00 H new ATOM 518 N PRO A 32 -13.241 -3.414 -8.428 1.00 0.00 N ATOM 519 CA PRO A 32 -14.632 -3.110 -8.036 1.00 0.00 C ATOM 520 C PRO A 32 -15.044 -3.826 -6.754 1.00 0.00 C ATOM 521 O PRO A 32 -15.712 -3.254 -5.892 1.00 0.00 O ATOM 522 CB PRO A 32 -15.435 -3.619 -9.225 1.00 0.00 C ATOM 523 CG PRO A 32 -14.588 -4.677 -9.917 1.00 0.00 C ATOM 524 CD PRO A 32 -13.141 -4.485 -9.452 1.00 0.00 C ATOM 0 HA PRO A 32 -14.783 -2.052 -7.820 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -16.385 -4.041 -8.896 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -15.668 -2.804 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -14.942 -5.677 -9.665 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -14.659 -4.577 -11.000 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -12.730 -5.403 -9.033 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -12.491 -4.192 -10.276 1.00 0.00 H new ATOM 532 N ASN A 33 -14.633 -5.083 -6.639 1.00 0.00 N ATOM 533 CA ASN A 33 -14.953 -5.879 -5.459 1.00 0.00 C ATOM 534 C ASN A 33 -14.396 -5.223 -4.196 1.00 0.00 C ATOM 535 O ASN A 33 -14.941 -5.385 -3.104 1.00 0.00 O ATOM 536 CB ASN A 33 -14.366 -7.286 -5.589 1.00 0.00 C ATOM 537 CG ASN A 33 -15.252 -8.277 -4.842 1.00 0.00 C ATOM 538 OD1 ASN A 33 -15.722 -7.993 -3.740 1.00 0.00 O ATOM 539 ND2 ASN A 33 -15.511 -9.438 -5.380 1.00 0.00 N ATOM 0 H ASN A 33 -14.081 -5.572 -7.344 1.00 0.00 H new ATOM 0 HA ASN A 33 -16.039 -5.941 -5.383 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -14.294 -7.566 -6.640 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -13.354 -7.309 -5.183 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -16.102 -10.108 -4.887 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -15.123 -9.675 -6.293 1.00 0.00 H new ATOM 546 N CYS A 34 -13.302 -4.480 -4.359 1.00 0.00 N ATOM 547 CA CYS A 34 -12.675 -3.801 -3.228 1.00 0.00 C ATOM 548 C CYS A 34 -12.498 -2.318 -3.528 1.00 0.00 C ATOM 549 O CYS A 34 -12.865 -1.836 -4.599 1.00 0.00 O ATOM 550 CB CYS A 34 -11.300 -4.407 -2.937 1.00 0.00 C ATOM 551 SG CYS A 34 -11.480 -5.836 -1.846 1.00 0.00 S ATOM 0 H CYS A 34 -12.836 -4.334 -5.254 1.00 0.00 H new ATOM 0 HA CYS A 34 -13.324 -3.926 -2.361 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -10.820 -4.707 -3.869 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -10.655 -3.662 -2.472 1.00 0.00 H new ATOM 556 N ALA A 35 -11.917 -1.604 -2.570 1.00 0.00 N ATOM 557 CA ALA A 35 -11.676 -0.175 -2.736 1.00 0.00 C ATOM 558 C ALA A 35 -10.351 0.038 -3.472 1.00 0.00 C ATOM 559 O ALA A 35 -9.829 -0.882 -4.101 1.00 0.00 O ATOM 560 CB ALA A 35 -11.626 0.517 -1.370 1.00 0.00 C ATOM 0 H ALA A 35 -11.606 -1.987 -1.677 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.490 0.257 -3.318 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -11.446 1.583 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -12.576 0.374 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -10.821 0.087 -0.774 1.00 0.00 H new ATOM 566 N LEU A 36 -9.810 1.251 -3.390 1.00 0.00 N ATOM 567 CA LEU A 36 -8.545 1.545 -4.057 1.00 0.00 C ATOM 568 C LEU A 36 -7.383 1.007 -3.229 1.00 0.00 C ATOM 569 O LEU A 36 -6.945 1.633 -2.263 1.00 0.00 O ATOM 570 CB LEU A 36 -8.370 3.060 -4.237 1.00 0.00 C ATOM 571 CG LEU A 36 -9.195 3.561 -5.434 1.00 0.00 C ATOM 572 CD1 LEU A 36 -8.721 2.876 -6.719 1.00 0.00 C ATOM 573 CD2 LEU A 36 -10.680 3.256 -5.211 1.00 0.00 C ATOM 0 H LEU A 36 -10.219 2.033 -2.878 1.00 0.00 H new ATOM 0 HA LEU A 36 -8.556 1.066 -5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -8.683 3.578 -3.330 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -7.317 3.294 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 36 -9.059 4.638 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.310 3.236 -7.562 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.669 3.106 -6.887 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.846 1.797 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -11.257 3.614 -6.064 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -10.819 2.180 -5.105 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -11.022 3.757 -4.305 1.00 0.00 H new ATOM 585 N GLN A 37 -6.887 -0.163 -3.624 1.00 0.00 N ATOM 586 CA GLN A 37 -5.771 -0.784 -2.918 1.00 0.00 C ATOM 587 C GLN A 37 -4.452 -0.317 -3.521 1.00 0.00 C ATOM 588 O GLN A 37 -4.077 -0.732 -4.619 1.00 0.00 O ATOM 589 CB GLN A 37 -5.850 -2.311 -3.021 1.00 0.00 C ATOM 590 CG GLN A 37 -7.114 -2.812 -2.316 1.00 0.00 C ATOM 591 CD GLN A 37 -7.681 -4.007 -3.074 1.00 0.00 C ATOM 592 OE1 GLN A 37 -7.284 -5.148 -2.834 1.00 0.00 O ATOM 593 NE2 GLN A 37 -8.596 -3.811 -3.983 1.00 0.00 N ATOM 0 H GLN A 37 -7.236 -0.695 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.826 -0.491 -1.869 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.862 -2.614 -4.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -4.967 -2.762 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.882 -3.096 -1.290 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.855 -2.015 -2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.924 -2.866 -4.181 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.983 -4.603 -4.496 1.00 0.00 H new ATOM 602 N ILE A 38 -3.753 0.555 -2.801 1.00 0.00 N ATOM 603 CA ILE A 38 -2.481 1.068 -3.294 1.00 0.00 C ATOM 604 C ILE A 38 -1.386 0.022 -3.145 1.00 0.00 C ATOM 605 O ILE A 38 -1.056 -0.415 -2.038 1.00 0.00 O ATOM 606 CB ILE A 38 -2.057 2.334 -2.547 1.00 0.00 C ATOM 607 CG1 ILE A 38 -3.208 3.343 -2.551 1.00 0.00 C ATOM 608 CG2 ILE A 38 -0.837 2.949 -3.245 1.00 0.00 C ATOM 609 CD1 ILE A 38 -2.995 4.365 -1.433 1.00 0.00 C ATOM 0 H ILE A 38 -4.039 0.915 -1.891 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.622 1.309 -4.347 1.00 0.00 H new ATOM 0 HB ILE A 38 -1.802 2.081 -1.518 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.259 3.849 -3.515 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -4.158 2.827 -2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.532 3.852 -2.716 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.016 2.232 -3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.095 3.201 -4.274 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.815 5.084 -1.436 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.966 3.852 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.053 4.889 -1.594 1.00 0.00 H new ATOM 621 N VAL A 39 -0.808 -0.347 -4.275 1.00 0.00 N ATOM 622 CA VAL A 39 0.276 -1.317 -4.284 1.00 0.00 C ATOM 623 C VAL A 39 1.595 -0.574 -4.406 1.00 0.00 C ATOM 624 O VAL A 39 1.617 0.643 -4.595 1.00 0.00 O ATOM 625 CB VAL A 39 0.126 -2.306 -5.443 1.00 0.00 C ATOM 626 CG1 VAL A 39 -1.158 -3.118 -5.258 1.00 0.00 C ATOM 627 CG2 VAL A 39 0.058 -1.544 -6.766 1.00 0.00 C ATOM 0 H VAL A 39 -1.069 0.008 -5.195 1.00 0.00 H new ATOM 0 HA VAL A 39 0.248 -1.887 -3.355 1.00 0.00 H new ATOM 0 HB VAL A 39 0.985 -2.977 -5.456 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.265 -3.822 -6.083 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.110 -3.666 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.015 -2.445 -5.242 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.049 -2.251 -7.588 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.798 -0.870 -6.754 1.00 0.00 H new ATOM 0 HG23 VAL A 39 0.973 -0.966 -6.901 1.00 0.00 H new ATOM 637 N ALA A 40 2.693 -1.300 -4.278 1.00 0.00 N ATOM 638 CA ALA A 40 4.003 -0.669 -4.357 1.00 0.00 C ATOM 639 C ALA A 40 5.088 -1.685 -4.642 1.00 0.00 C ATOM 640 O ALA A 40 4.828 -2.877 -4.769 1.00 0.00 O ATOM 641 CB ALA A 40 4.324 0.013 -3.037 1.00 0.00 C ATOM 0 H ALA A 40 2.707 -2.308 -4.122 1.00 0.00 H new ATOM 0 HA ALA A 40 3.972 0.057 -5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.305 0.484 -3.100 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.570 0.772 -2.827 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.327 -0.727 -2.237 1.00 0.00 H new ATOM 647 N ARG A 41 6.316 -1.187 -4.720 1.00 0.00 N ATOM 648 CA ARG A 41 7.468 -2.042 -4.967 1.00 0.00 C ATOM 649 C ARG A 41 8.659 -1.550 -4.148 1.00 0.00 C ATOM 650 O ARG A 41 9.153 -0.437 -4.349 1.00 0.00 O ATOM 651 CB ARG A 41 7.825 -2.044 -6.453 1.00 0.00 C ATOM 652 CG ARG A 41 8.945 -3.054 -6.716 1.00 0.00 C ATOM 653 CD ARG A 41 8.335 -4.406 -7.090 1.00 0.00 C ATOM 654 NE ARG A 41 8.134 -4.501 -8.534 1.00 0.00 N ATOM 655 CZ ARG A 41 7.108 -3.897 -9.124 1.00 0.00 C ATOM 656 NH1 ARG A 41 5.967 -4.520 -9.246 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.239 -2.682 -9.582 1.00 0.00 N ATOM 0 H ARG A 41 6.538 -0.197 -4.616 1.00 0.00 H new ATOM 0 HA ARG A 41 7.219 -3.060 -4.668 1.00 0.00 H new ATOM 0 HB2 ARG A 41 6.947 -2.298 -7.047 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.141 -1.048 -6.762 1.00 0.00 H new ATOM 0 HG2 ARG A 41 9.588 -2.698 -7.521 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.571 -3.158 -5.830 1.00 0.00 H new ATOM 0 HD2 ARG A 41 8.990 -5.211 -6.755 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.382 -4.535 -6.576 1.00 0.00 H new ATOM 0 HE ARG A 41 8.792 -5.039 -9.098 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.864 -5.470 -8.888 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.179 -4.057 -9.699 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.130 -2.195 -9.487 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.450 -2.220 -10.035 1.00 0.00 H new ATOM 671 N LEU A 42 9.096 -2.386 -3.204 1.00 0.00 N ATOM 672 CA LEU A 42 10.211 -2.034 -2.330 1.00 0.00 C ATOM 673 C LEU A 42 11.551 -2.287 -3.012 1.00 0.00 C ATOM 674 O LEU A 42 11.659 -3.102 -3.933 1.00 0.00 O ATOM 675 CB LEU A 42 10.166 -2.852 -1.038 1.00 0.00 C ATOM 676 CG LEU A 42 8.749 -2.862 -0.455 1.00 0.00 C ATOM 677 CD1 LEU A 42 8.730 -3.718 0.810 1.00 0.00 C ATOM 678 CD2 LEU A 42 8.324 -1.432 -0.106 1.00 0.00 C ATOM 0 H LEU A 42 8.695 -3.307 -3.027 1.00 0.00 H new ATOM 0 HA LEU A 42 10.114 -0.972 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 42 10.491 -3.873 -1.236 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.861 -2.432 -0.311 1.00 0.00 H new ATOM 0 HG LEU A 42 8.058 -3.275 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.723 -3.728 1.228 1.00 0.00 H new ATOM 0 HD12 LEU A 42 9.031 -4.737 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 42 9.422 -3.302 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.316 -1.443 0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 42 9.014 -1.016 0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 42 8.340 -0.818 -1.006 1.00 0.00 H new ATOM 690 N LYS A 43 12.569 -1.575 -2.532 1.00 0.00 N ATOM 691 CA LYS A 43 13.922 -1.701 -3.071 1.00 0.00 C ATOM 692 C LYS A 43 14.723 -2.730 -2.278 1.00 0.00 C ATOM 693 O LYS A 43 15.101 -3.781 -2.796 1.00 0.00 O ATOM 694 CB LYS A 43 14.647 -0.347 -3.003 1.00 0.00 C ATOM 695 CG LYS A 43 14.687 0.293 -4.392 1.00 0.00 C ATOM 696 CD LYS A 43 15.876 -0.264 -5.177 1.00 0.00 C ATOM 697 CE LYS A 43 17.167 0.391 -4.681 1.00 0.00 C ATOM 698 NZ LYS A 43 18.184 0.372 -5.770 1.00 0.00 N ATOM 0 H LYS A 43 12.482 -0.903 -1.769 1.00 0.00 H new ATOM 0 HA LYS A 43 13.843 -2.027 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 43 14.136 0.314 -2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 43 15.661 -0.486 -2.628 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.758 0.089 -4.925 1.00 0.00 H new ATOM 0 HG3 LYS A 43 14.772 1.376 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.933 -1.345 -5.052 1.00 0.00 H new ATOM 0 HD3 LYS A 43 15.744 -0.072 -6.242 1.00 0.00 H new ATOM 0 HE2 LYS A 43 16.971 1.417 -4.370 1.00 0.00 H new ATOM 0 HE3 LYS A 43 17.544 -0.140 -3.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 19.062 0.817 -5.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 18.379 -0.612 -6.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 17.823 0.897 -6.592 1.00 0.00 H new ATOM 712 N ASN A 44 14.980 -2.405 -1.011 1.00 0.00 N ATOM 713 CA ASN A 44 15.747 -3.289 -0.127 1.00 0.00 C ATOM 714 C ASN A 44 15.221 -4.724 -0.176 1.00 0.00 C ATOM 715 O ASN A 44 15.963 -5.680 0.052 1.00 0.00 O ATOM 716 CB ASN A 44 15.677 -2.787 1.316 1.00 0.00 C ATOM 717 CG ASN A 44 16.267 -1.384 1.397 1.00 0.00 C ATOM 718 OD1 ASN A 44 15.742 -0.447 0.795 1.00 0.00 O ATOM 719 ND2 ASN A 44 17.340 -1.180 2.112 1.00 0.00 N ATOM 0 H ASN A 44 14.670 -1.538 -0.572 1.00 0.00 H new ATOM 0 HA ASN A 44 16.779 -3.281 -0.476 1.00 0.00 H new ATOM 0 HB2 ASN A 44 14.642 -2.778 1.659 1.00 0.00 H new ATOM 0 HB3 ASN A 44 16.225 -3.462 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 44 17.743 -0.245 2.172 1.00 0.00 H new ATOM 0 HD22 ASN A 44 17.775 -1.956 2.611 1.00 0.00 H new ATOM 726 N ASN A 45 13.934 -4.863 -0.480 1.00 0.00 N ATOM 727 CA ASN A 45 13.321 -6.186 -0.561 1.00 0.00 C ATOM 728 C ASN A 45 13.237 -6.644 -2.013 1.00 0.00 C ATOM 729 O ASN A 45 13.273 -7.839 -2.304 1.00 0.00 O ATOM 730 CB ASN A 45 11.912 -6.167 0.036 1.00 0.00 C ATOM 731 CG ASN A 45 11.957 -5.564 1.437 1.00 0.00 C ATOM 732 OD1 ASN A 45 12.004 -6.289 2.431 1.00 0.00 O ATOM 733 ND2 ASN A 45 11.944 -4.268 1.576 1.00 0.00 N ATOM 0 H ASN A 45 13.301 -4.086 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 45 13.944 -6.878 0.006 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.245 -5.585 -0.600 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.510 -7.179 0.078 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.973 -3.855 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.905 -3.667 0.753 1.00 0.00 H new ATOM 740 N ASN A 46 13.118 -5.678 -2.927 1.00 0.00 N ATOM 741 CA ASN A 46 13.023 -5.995 -4.349 1.00 0.00 C ATOM 742 C ASN A 46 11.780 -6.843 -4.613 1.00 0.00 C ATOM 743 O ASN A 46 11.866 -7.982 -5.077 1.00 0.00 O ATOM 744 CB ASN A 46 14.271 -6.750 -4.819 1.00 0.00 C ATOM 745 CG ASN A 46 14.518 -6.457 -6.295 1.00 0.00 C ATOM 746 OD1 ASN A 46 13.622 -6.612 -7.124 1.00 0.00 O ATOM 747 ND2 ASN A 46 15.693 -6.038 -6.676 1.00 0.00 N ATOM 0 H ASN A 46 13.086 -4.682 -2.709 1.00 0.00 H new ATOM 0 HA ASN A 46 12.949 -5.061 -4.905 1.00 0.00 H new ATOM 0 HB2 ASN A 46 15.136 -6.448 -4.228 1.00 0.00 H new ATOM 0 HB3 ASN A 46 14.139 -7.821 -4.667 1.00 0.00 H new ATOM 0 HD21 ASN A 46 15.869 -5.839 -7.661 1.00 0.00 H new ATOM 0 HD22 ASN A 46 16.436 -5.909 -5.989 1.00 0.00 H new ATOM 754 N ARG A 47 10.620 -6.273 -4.304 1.00 0.00 N ATOM 755 CA ARG A 47 9.359 -6.984 -4.503 1.00 0.00 C ATOM 756 C ARG A 47 8.182 -6.018 -4.427 1.00 0.00 C ATOM 757 O ARG A 47 8.338 -4.861 -4.041 1.00 0.00 O ATOM 758 CB ARG A 47 9.183 -8.071 -3.439 1.00 0.00 C ATOM 759 CG ARG A 47 9.750 -9.393 -3.959 1.00 0.00 C ATOM 760 CD ARG A 47 8.940 -10.557 -3.387 1.00 0.00 C ATOM 761 NE ARG A 47 8.880 -11.661 -4.341 1.00 0.00 N ATOM 762 CZ ARG A 47 7.761 -12.358 -4.511 1.00 0.00 C ATOM 763 NH1 ARG A 47 7.224 -12.988 -3.500 1.00 0.00 N ATOM 764 NH2 ARG A 47 7.198 -12.414 -5.686 1.00 0.00 N ATOM 0 H ARG A 47 10.525 -5.333 -3.920 1.00 0.00 H new ATOM 0 HA ARG A 47 9.386 -7.444 -5.491 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.693 -7.781 -2.520 1.00 0.00 H new ATOM 0 HB3 ARG A 47 8.127 -8.187 -3.194 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.715 -9.412 -5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 47 10.797 -9.489 -3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.392 -10.898 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 47 7.931 -10.222 -3.147 1.00 0.00 H new ATOM 0 HE ARG A 47 9.709 -11.901 -4.885 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.663 -12.945 -2.581 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.365 -13.523 -3.630 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.616 -11.923 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.339 -12.949 -5.815 1.00 0.00 H new ATOM 778 N GLN A 48 7.003 -6.508 -4.806 1.00 0.00 N ATOM 779 CA GLN A 48 5.800 -5.679 -4.785 1.00 0.00 C ATOM 780 C GLN A 48 5.017 -5.896 -3.491 1.00 0.00 C ATOM 781 O GLN A 48 4.857 -7.027 -3.033 1.00 0.00 O ATOM 782 CB GLN A 48 4.901 -6.022 -5.976 1.00 0.00 C ATOM 783 CG GLN A 48 3.737 -5.030 -6.050 1.00 0.00 C ATOM 784 CD GLN A 48 2.597 -5.641 -6.857 1.00 0.00 C ATOM 785 OE1 GLN A 48 2.771 -5.988 -8.025 1.00 0.00 O ATOM 786 NE2 GLN A 48 1.428 -5.795 -6.299 1.00 0.00 N ATOM 0 H GLN A 48 6.856 -7.465 -5.128 1.00 0.00 H new ATOM 0 HA GLN A 48 6.109 -4.635 -4.846 1.00 0.00 H new ATOM 0 HB2 GLN A 48 5.478 -5.989 -6.900 1.00 0.00 H new ATOM 0 HB3 GLN A 48 4.519 -7.038 -5.874 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.393 -4.781 -5.046 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.067 -4.100 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 48 1.283 -5.508 -5.331 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.659 -6.203 -6.831 1.00 0.00 H new ATOM 795 N VAL A 49 4.526 -4.801 -2.902 1.00 0.00 N ATOM 796 CA VAL A 49 3.757 -4.913 -1.657 1.00 0.00 C ATOM 797 C VAL A 49 2.644 -3.876 -1.596 1.00 0.00 C ATOM 798 O VAL A 49 2.734 -2.809 -2.200 1.00 0.00 O ATOM 799 CB VAL A 49 4.657 -4.713 -0.434 1.00 0.00 C ATOM 800 CG1 VAL A 49 5.577 -5.920 -0.264 1.00 0.00 C ATOM 801 CG2 VAL A 49 5.497 -3.447 -0.617 1.00 0.00 C ATOM 0 H VAL A 49 4.642 -3.851 -3.255 1.00 0.00 H new ATOM 0 HA VAL A 49 3.328 -5.915 -1.646 1.00 0.00 H new ATOM 0 HB VAL A 49 4.036 -4.610 0.455 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.215 -5.772 0.608 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.976 -6.819 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 49 6.198 -6.032 -1.153 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.137 -3.306 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.115 -3.546 -1.509 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.838 -2.586 -0.726 1.00 0.00 H new ATOM 811 N CYS A 50 1.605 -4.191 -0.827 1.00 0.00 N ATOM 812 CA CYS A 50 0.487 -3.271 -0.656 1.00 0.00 C ATOM 813 C CYS A 50 0.777 -2.371 0.536 1.00 0.00 C ATOM 814 O CYS A 50 0.822 -2.833 1.676 1.00 0.00 O ATOM 815 CB CYS A 50 -0.817 -4.036 -0.403 1.00 0.00 C ATOM 816 SG CYS A 50 -1.100 -5.225 -1.741 1.00 0.00 S ATOM 0 H CYS A 50 1.515 -5.069 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 50 0.370 -2.682 -1.565 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.764 -4.556 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -1.652 -3.339 -0.341 1.00 0.00 H new ATOM 821 N ILE A 51 0.995 -1.087 0.272 1.00 0.00 N ATOM 822 CA ILE A 51 1.303 -0.161 1.358 1.00 0.00 C ATOM 823 C ILE A 51 0.037 0.297 2.052 1.00 0.00 C ATOM 824 O ILE A 51 -1.043 0.332 1.461 1.00 0.00 O ATOM 825 CB ILE A 51 2.076 1.058 0.855 1.00 0.00 C ATOM 826 CG1 ILE A 51 3.257 0.600 0.004 1.00 0.00 C ATOM 827 CG2 ILE A 51 2.609 1.837 2.057 1.00 0.00 C ATOM 828 CD1 ILE A 51 3.922 1.814 -0.638 1.00 0.00 C ATOM 0 H ILE A 51 0.966 -0.671 -0.659 1.00 0.00 H new ATOM 0 HA ILE A 51 1.929 -0.700 2.069 1.00 0.00 H new ATOM 0 HB ILE A 51 1.416 1.687 0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 51 3.976 0.062 0.621 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.917 -0.092 -0.767 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.162 2.709 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.775 2.161 2.679 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.270 1.197 2.641 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.766 1.488 -1.246 1.00 0.00 H new ATOM 0 HD12 ILE A 51 3.200 2.334 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.276 2.489 0.141 1.00 0.00 H new ATOM 840 N ASP A 52 0.183 0.632 3.328 1.00 0.00 N ATOM 841 CA ASP A 52 -0.953 1.068 4.126 1.00 0.00 C ATOM 842 C ASP A 52 -1.287 2.534 3.821 1.00 0.00 C ATOM 843 O ASP A 52 -0.386 3.352 3.634 1.00 0.00 O ATOM 844 CB ASP A 52 -0.631 0.923 5.620 1.00 0.00 C ATOM 845 CG ASP A 52 -1.831 0.330 6.353 1.00 0.00 C ATOM 846 OD1 ASP A 52 -2.011 -0.874 6.277 1.00 0.00 O ATOM 847 OD2 ASP A 52 -2.553 1.090 6.977 1.00 0.00 O ATOM 0 H ASP A 52 1.071 0.610 3.829 1.00 0.00 H new ATOM 0 HA ASP A 52 -1.811 0.444 3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.241 0.282 5.753 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.379 1.895 6.043 1.00 0.00 H new ATOM 852 N PRO A 53 -2.583 2.892 3.774 1.00 0.00 N ATOM 853 CA PRO A 53 -3.001 4.281 3.494 1.00 0.00 C ATOM 854 C PRO A 53 -2.817 5.197 4.701 1.00 0.00 C ATOM 855 O PRO A 53 -2.711 6.415 4.562 1.00 0.00 O ATOM 856 CB PRO A 53 -4.475 4.131 3.145 1.00 0.00 C ATOM 857 CG PRO A 53 -4.954 2.844 3.794 1.00 0.00 C ATOM 858 CD PRO A 53 -3.721 1.962 3.998 1.00 0.00 C ATOM 0 HA PRO A 53 -2.407 4.742 2.705 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -5.047 4.984 3.511 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -4.614 4.094 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -5.443 3.051 4.746 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -5.687 2.343 3.162 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -3.697 1.533 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -3.703 1.130 3.294 1.00 0.00 H new ATOM 866 N LYS A 54 -2.778 4.597 5.889 1.00 0.00 N ATOM 867 CA LYS A 54 -2.603 5.369 7.113 1.00 0.00 C ATOM 868 C LYS A 54 -1.119 5.559 7.449 1.00 0.00 C ATOM 869 O LYS A 54 -0.783 6.030 8.534 1.00 0.00 O ATOM 870 CB LYS A 54 -3.289 4.668 8.286 1.00 0.00 C ATOM 871 CG LYS A 54 -4.791 4.953 8.244 1.00 0.00 C ATOM 872 CD LYS A 54 -5.107 6.167 9.121 1.00 0.00 C ATOM 873 CE LYS A 54 -5.008 5.771 10.595 1.00 0.00 C ATOM 874 NZ LYS A 54 -6.312 5.212 11.048 1.00 0.00 N ATOM 0 H LYS A 54 -2.864 3.590 6.028 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.055 6.347 6.947 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.111 3.594 8.236 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.868 5.018 9.229 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -5.107 5.140 7.218 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -5.347 4.083 8.595 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.411 6.977 8.904 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -6.108 6.538 8.900 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -4.217 5.034 10.732 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -4.743 6.639 11.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.245 4.943 12.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.056 5.929 10.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -6.547 4.374 10.479 1.00 0.00 H new ATOM 888 N LEU A 55 -0.229 5.198 6.516 1.00 0.00 N ATOM 889 CA LEU A 55 1.202 5.355 6.761 1.00 0.00 C ATOM 890 C LEU A 55 1.540 6.829 6.951 1.00 0.00 C ATOM 891 O LEU A 55 0.778 7.713 6.557 1.00 0.00 O ATOM 892 CB LEU A 55 2.019 4.775 5.602 1.00 0.00 C ATOM 893 CG LEU A 55 2.557 3.390 5.988 1.00 0.00 C ATOM 894 CD1 LEU A 55 3.313 2.777 4.803 1.00 0.00 C ATOM 895 CD2 LEU A 55 3.500 3.515 7.191 1.00 0.00 C ATOM 0 H LEU A 55 -0.470 4.805 5.606 1.00 0.00 H new ATOM 0 HA LEU A 55 1.457 4.809 7.669 1.00 0.00 H new ATOM 0 HB2 LEU A 55 1.398 4.698 4.710 1.00 0.00 H new ATOM 0 HB3 LEU A 55 2.846 5.442 5.358 1.00 0.00 H new ATOM 0 HG LEU A 55 1.720 2.744 6.253 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.693 1.794 5.083 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.638 2.677 3.953 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.147 3.424 4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.879 2.529 7.460 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.335 4.166 6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.957 3.939 8.036 1.00 0.00 H new ATOM 907 N LYS A 56 2.673 7.084 7.593 1.00 0.00 N ATOM 908 CA LYS A 56 3.085 8.450 7.870 1.00 0.00 C ATOM 909 C LYS A 56 3.585 9.156 6.621 1.00 0.00 C ATOM 910 O LYS A 56 3.331 10.346 6.429 1.00 0.00 O ATOM 911 CB LYS A 56 4.182 8.478 8.935 1.00 0.00 C ATOM 912 CG LYS A 56 3.554 8.308 10.320 1.00 0.00 C ATOM 913 CD LYS A 56 4.356 9.110 11.347 1.00 0.00 C ATOM 914 CE LYS A 56 3.416 9.625 12.438 1.00 0.00 C ATOM 915 NZ LYS A 56 3.046 8.503 13.346 1.00 0.00 N ATOM 0 H LYS A 56 3.317 6.368 7.929 1.00 0.00 H new ATOM 0 HA LYS A 56 2.204 8.978 8.235 1.00 0.00 H new ATOM 0 HB2 LYS A 56 4.903 7.681 8.751 1.00 0.00 H new ATOM 0 HB3 LYS A 56 4.728 9.420 8.885 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.519 8.648 10.306 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.539 7.254 10.597 1.00 0.00 H new ATOM 0 HD2 LYS A 56 5.133 8.484 11.787 1.00 0.00 H new ATOM 0 HD3 LYS A 56 4.858 9.946 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.900 10.421 13.004 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.520 10.054 11.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 2.407 8.853 14.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.568 7.758 12.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.905 8.114 13.785 1.00 0.00 H new ATOM 929 N TRP A 57 4.304 8.434 5.774 1.00 0.00 N ATOM 930 CA TRP A 57 4.817 9.047 4.558 1.00 0.00 C ATOM 931 C TRP A 57 3.779 8.987 3.446 1.00 0.00 C ATOM 932 O TRP A 57 3.756 9.844 2.561 1.00 0.00 O ATOM 933 CB TRP A 57 6.129 8.398 4.105 1.00 0.00 C ATOM 934 CG TRP A 57 5.936 6.963 3.726 1.00 0.00 C ATOM 935 CD1 TRP A 57 5.934 5.911 4.582 1.00 0.00 C ATOM 936 CD2 TRP A 57 5.737 6.408 2.399 1.00 0.00 C ATOM 937 NE1 TRP A 57 5.771 4.748 3.851 1.00 0.00 N ATOM 938 CE2 TRP A 57 5.642 5.005 2.504 1.00 0.00 C ATOM 939 CE3 TRP A 57 5.639 6.986 1.123 1.00 0.00 C ATOM 940 CZ2 TRP A 57 5.458 4.201 1.384 1.00 0.00 C ATOM 941 CZ3 TRP A 57 5.446 6.179 -0.012 1.00 0.00 C ATOM 942 CH2 TRP A 57 5.358 4.787 0.121 1.00 0.00 C ATOM 0 H TRP A 57 4.541 7.450 5.900 1.00 0.00 H new ATOM 0 HA TRP A 57 5.028 10.092 4.783 1.00 0.00 H new ATOM 0 HB2 TRP A 57 6.532 8.948 3.254 1.00 0.00 H new ATOM 0 HB3 TRP A 57 6.865 8.467 4.906 1.00 0.00 H new ATOM 0 HD1 TRP A 57 6.042 5.971 5.655 1.00 0.00 H new ATOM 0 HE1 TRP A 57 5.749 3.814 4.260 1.00 0.00 H new ATOM 0 HE3 TRP A 57 5.712 8.058 1.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 5.393 3.128 1.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 5.365 6.633 -0.989 1.00 0.00 H new ATOM 0 HH2 TRP A 57 5.213 4.168 -0.752 1.00 0.00 H new ATOM 953 N ILE A 58 2.907 7.981 3.499 1.00 0.00 N ATOM 954 CA ILE A 58 1.877 7.864 2.487 1.00 0.00 C ATOM 955 C ILE A 58 0.725 8.825 2.789 1.00 0.00 C ATOM 956 O ILE A 58 -0.052 9.148 1.895 1.00 0.00 O ATOM 957 CB ILE A 58 1.385 6.407 2.344 1.00 0.00 C ATOM 958 CG1 ILE A 58 2.507 5.615 1.616 1.00 0.00 C ATOM 959 CG2 ILE A 58 0.050 6.350 1.556 1.00 0.00 C ATOM 960 CD1 ILE A 58 1.953 4.468 0.754 1.00 0.00 C ATOM 0 H ILE A 58 2.897 7.255 4.216 1.00 0.00 H new ATOM 0 HA ILE A 58 2.308 8.145 1.526 1.00 0.00 H new ATOM 0 HB ILE A 58 1.186 5.968 3.322 1.00 0.00 H new ATOM 0 HG12 ILE A 58 3.078 6.296 0.985 1.00 0.00 H new ATOM 0 HG13 ILE A 58 3.199 5.209 2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.277 5.314 1.468 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.709 6.926 2.085 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.197 6.770 0.561 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.778 3.947 0.268 1.00 0.00 H new ATOM 0 HD12 ILE A 58 1.405 3.769 1.386 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.283 4.873 -0.004 1.00 0.00 H new ATOM 972 N GLN A 59 0.611 9.293 4.037 1.00 0.00 N ATOM 973 CA GLN A 59 -0.461 10.222 4.351 1.00 0.00 C ATOM 974 C GLN A 59 -0.207 11.554 3.647 1.00 0.00 C ATOM 975 O GLN A 59 -1.142 12.263 3.277 1.00 0.00 O ATOM 976 CB GLN A 59 -0.611 10.440 5.862 1.00 0.00 C ATOM 977 CG GLN A 59 0.692 10.988 6.457 1.00 0.00 C ATOM 978 CD GLN A 59 0.387 12.171 7.372 1.00 0.00 C ATOM 979 OE1 GLN A 59 -0.114 13.200 6.921 1.00 0.00 O ATOM 980 NE2 GLN A 59 0.665 12.083 8.645 1.00 0.00 N ATOM 0 H GLN A 59 1.226 9.051 4.814 1.00 0.00 H new ATOM 0 HA GLN A 59 -1.395 9.788 3.994 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -1.427 11.136 6.056 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -0.872 9.499 6.347 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.203 10.206 7.018 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.365 11.299 5.658 1.00 0.00 H new ATOM 0 HE21 GLN A 59 1.080 11.230 9.018 1.00 0.00 H new ATOM 0 HE22 GLN A 59 0.467 12.868 9.266 1.00 0.00 H new ATOM 989 N GLU A 60 1.074 11.871 3.431 1.00 0.00 N ATOM 990 CA GLU A 60 1.429 13.101 2.733 1.00 0.00 C ATOM 991 C GLU A 60 1.282 12.880 1.231 1.00 0.00 C ATOM 992 O GLU A 60 0.859 13.768 0.491 1.00 0.00 O ATOM 993 CB GLU A 60 2.872 13.504 3.045 1.00 0.00 C ATOM 994 CG GLU A 60 2.911 14.289 4.357 1.00 0.00 C ATOM 995 CD GLU A 60 4.356 14.429 4.824 1.00 0.00 C ATOM 996 OE1 GLU A 60 5.046 15.285 4.299 1.00 0.00 O ATOM 997 OE2 GLU A 60 4.749 13.678 5.701 1.00 0.00 O ATOM 0 H GLU A 60 1.867 11.301 3.725 1.00 0.00 H new ATOM 0 HA GLU A 60 0.765 13.899 3.066 1.00 0.00 H new ATOM 0 HB2 GLU A 60 3.500 12.616 3.121 1.00 0.00 H new ATOM 0 HB3 GLU A 60 3.275 14.111 2.234 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.466 15.274 4.217 1.00 0.00 H new ATOM 0 HG3 GLU A 60 2.320 13.777 5.117 1.00 0.00 H new ATOM 1004 N TYR A 61 1.624 11.666 0.801 1.00 0.00 N ATOM 1005 CA TYR A 61 1.521 11.294 -0.608 1.00 0.00 C ATOM 1006 C TYR A 61 0.049 11.267 -1.020 1.00 0.00 C ATOM 1007 O TYR A 61 -0.355 11.907 -1.991 1.00 0.00 O ATOM 1008 CB TYR A 61 2.186 9.907 -0.818 1.00 0.00 C ATOM 1009 CG TYR A 61 1.644 9.184 -2.039 1.00 0.00 C ATOM 1010 CD1 TYR A 61 1.551 9.841 -3.270 1.00 0.00 C ATOM 1011 CD2 TYR A 61 1.232 7.854 -1.921 1.00 0.00 C ATOM 1012 CE1 TYR A 61 1.043 9.163 -4.386 1.00 0.00 C ATOM 1013 CE2 TYR A 61 0.724 7.175 -3.031 1.00 0.00 C ATOM 1014 CZ TYR A 61 0.630 7.829 -4.267 1.00 0.00 C ATOM 1015 OH TYR A 61 0.129 7.161 -5.365 1.00 0.00 O ATOM 0 H TYR A 61 1.974 10.925 1.408 1.00 0.00 H new ATOM 0 HA TYR A 61 2.037 12.024 -1.231 1.00 0.00 H new ATOM 0 HB2 TYR A 61 3.263 10.036 -0.924 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.024 9.292 0.067 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.870 10.869 -3.360 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.307 7.350 -0.969 1.00 0.00 H new ATOM 0 HE1 TYR A 61 0.970 9.668 -5.338 1.00 0.00 H new ATOM 0 HE2 TYR A 61 0.404 6.148 -2.937 1.00 0.00 H new ATOM 0 HH TYR A 61 -0.109 6.245 -5.110 1.00 0.00 H new ATOM 1025 N LEU A 62 -0.741 10.514 -0.268 1.00 0.00 N ATOM 1026 CA LEU A 62 -2.163 10.398 -0.552 1.00 0.00 C ATOM 1027 C LEU A 62 -2.844 11.761 -0.435 1.00 0.00 C ATOM 1028 O LEU A 62 -3.859 12.022 -1.079 1.00 0.00 O ATOM 1029 CB LEU A 62 -2.812 9.415 0.431 1.00 0.00 C ATOM 1030 CG LEU A 62 -3.791 8.483 -0.302 1.00 0.00 C ATOM 1031 CD1 LEU A 62 -4.888 9.304 -0.984 1.00 0.00 C ATOM 1032 CD2 LEU A 62 -3.037 7.663 -1.355 1.00 0.00 C ATOM 0 H LEU A 62 -0.423 9.977 0.539 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.284 10.029 -1.570 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.041 8.825 0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -3.340 9.966 1.209 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.247 7.810 0.424 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.576 8.634 -1.500 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -5.433 9.877 -0.234 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.437 9.987 -1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.735 7.004 -1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -2.572 8.336 -2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.267 7.065 -0.868 1.00 0.00 H new ATOM 1044 N GLU A 63 -2.268 12.625 0.396 1.00 0.00 N ATOM 1045 CA GLU A 63 -2.823 13.961 0.592 1.00 0.00 C ATOM 1046 C GLU A 63 -2.612 14.814 -0.656 1.00 0.00 C ATOM 1047 O GLU A 63 -3.468 15.615 -1.030 1.00 0.00 O ATOM 1048 CB GLU A 63 -2.157 14.649 1.785 1.00 0.00 C ATOM 1049 CG GLU A 63 -2.942 14.333 3.060 1.00 0.00 C ATOM 1050 CD GLU A 63 -2.107 14.710 4.279 1.00 0.00 C ATOM 1051 OE1 GLU A 63 -1.613 15.825 4.312 1.00 0.00 O ATOM 1052 OE2 GLU A 63 -1.976 13.879 5.162 1.00 0.00 O ATOM 0 H GLU A 63 -1.427 12.428 0.939 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.891 13.856 0.785 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.126 14.309 1.886 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.122 15.727 1.624 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.883 14.883 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.193 13.273 3.092 1.00 0.00 H new ATOM 1059 N LYS A 64 -1.462 14.629 -1.298 1.00 0.00 N ATOM 1060 CA LYS A 64 -1.145 15.383 -2.509 1.00 0.00 C ATOM 1061 C LYS A 64 -1.726 14.685 -3.735 1.00 0.00 C ATOM 1062 O LYS A 64 -2.118 15.330 -4.707 1.00 0.00 O ATOM 1063 CB LYS A 64 0.372 15.536 -2.678 1.00 0.00 C ATOM 1064 CG LYS A 64 1.038 14.157 -2.721 1.00 0.00 C ATOM 1065 CD LYS A 64 2.508 14.314 -3.118 1.00 0.00 C ATOM 1066 CE LYS A 64 2.608 14.514 -4.632 1.00 0.00 C ATOM 1067 NZ LYS A 64 2.824 13.197 -5.294 1.00 0.00 N ATOM 0 H LYS A 64 -0.740 13.971 -1.005 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.589 16.374 -2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.590 16.083 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.781 16.120 -1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.963 13.674 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 64 0.524 13.515 -3.436 1.00 0.00 H new ATOM 0 HD2 LYS A 64 2.947 15.165 -2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.073 13.431 -2.819 1.00 0.00 H new ATOM 0 HE2 LYS A 64 1.696 14.977 -5.009 1.00 0.00 H new ATOM 0 HE3 LYS A 64 3.430 15.190 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 2.892 13.333 -6.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.705 12.772 -4.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.026 12.566 -5.080 1.00 0.00 H new ATOM 1081 N ALA A 65 -1.774 13.357 -3.677 1.00 0.00 N ATOM 1082 CA ALA A 65 -2.308 12.574 -4.785 1.00 0.00 C ATOM 1083 C ALA A 65 -3.743 12.148 -4.492 1.00 0.00 C ATOM 1084 O ALA A 65 -4.192 11.087 -4.928 1.00 0.00 O ATOM 1085 CB ALA A 65 -1.457 11.326 -5.020 1.00 0.00 C ATOM 0 H ALA A 65 -1.452 12.805 -2.882 1.00 0.00 H new ATOM 0 HA ALA A 65 -2.288 13.199 -5.678 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -1.871 10.754 -5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -0.435 11.622 -5.257 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -1.457 10.711 -4.120 1.00 0.00 H new ATOM 1091 N LEU A 66 -4.460 12.989 -3.745 1.00 0.00 N ATOM 1092 CA LEU A 66 -5.852 12.695 -3.391 1.00 0.00 C ATOM 1093 C LEU A 66 -6.687 12.403 -4.639 1.00 0.00 C ATOM 1094 O LEU A 66 -6.429 12.943 -5.716 1.00 0.00 O ATOM 1095 CB LEU A 66 -6.475 13.880 -2.641 1.00 0.00 C ATOM 1096 CG LEU A 66 -6.407 15.148 -3.512 1.00 0.00 C ATOM 1097 CD1 LEU A 66 -7.775 15.835 -3.534 1.00 0.00 C ATOM 1098 CD2 LEU A 66 -5.369 16.116 -2.938 1.00 0.00 C ATOM 0 H LEU A 66 -4.105 13.871 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.849 11.813 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.512 13.657 -2.389 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.947 14.045 -1.702 1.00 0.00 H new ATOM 0 HG LEU A 66 -6.123 14.866 -4.526 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.722 16.732 -4.151 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.518 15.153 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.060 16.110 -2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.325 17.012 -3.558 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.651 16.392 -1.922 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.391 15.635 -2.925 1.00 0.00 H new ATOM 1110 N ASN A 67 -7.690 11.542 -4.478 1.00 0.00 N ATOM 1111 CA ASN A 67 -8.561 11.180 -5.595 1.00 0.00 C ATOM 1112 C ASN A 67 -7.753 10.530 -6.714 1.00 0.00 C ATOM 1113 O ASN A 67 -6.563 10.340 -6.526 1.00 0.00 O ATOM 1114 CB ASN A 67 -9.272 12.419 -6.148 1.00 0.00 C ATOM 1115 CG ASN A 67 -10.423 11.986 -7.047 1.00 0.00 C ATOM 1116 OD1 ASN A 67 -11.237 11.145 -6.664 1.00 0.00 O ATOM 1117 ND2 ASN A 67 -10.543 12.515 -8.235 1.00 0.00 N ATOM 1118 OXT ASN A 67 -8.337 10.232 -7.743 1.00 0.00 O ATOM 0 H ASN A 67 -7.919 11.086 -3.595 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.303 10.473 -5.224 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -9.647 13.032 -5.329 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -8.569 13.034 -6.710 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -11.310 12.231 -8.844 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.869 13.212 -8.553 1.00 0.00 H new TER 1125 ASN A 67