USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 738 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 17 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 18 ASN : amide:sc= -1.75 K(o=-1.7,f=-3.6!) USER MOD Set 1.3: A 47 TYR OH : rot 136:sc= 0.0236 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.639 K(o=-0.64,f=0.94) USER MOD Single : A 8 LYS NZ :NH3+ -124:sc= -0.965 (180deg=-2.91!) USER MOD Single : A 11 SER OG : rot 86:sc= 0.765 USER MOD Single : A 12 MET CE :methyl -152:sc= -0.718 (180deg=-1.85!) USER MOD Single : A 14 ASN : amide:sc= -0.405 K(o=-0.4,f=-2.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HE2:sc= -0.482 X(o=-0.48,f=-0.094) USER MOD Single : A 25 SER OG : rot 180:sc= -0.179 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -68:sc= 0.37 USER MOD Single : A 35 ASN : amide:sc= -1.05 X(o=-1.1,f=-0.71) USER MOD Single : A 41 GLN : amide:sc=-0.00382 X(o=-0.0038,f=-0.2) USER MOD Single : A 46 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0469) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= -0.579 K(o=-0.58,f=-1.5) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0.00219 K(o=0.0022,f=-1.8!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.27 K(o=-3.3,f=-6.4!) USER MOD Single : A 61 ASN : amide:sc= -0.0141 X(o=-0.014,f=0) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= -0.719 X(o=-0.72,f=-1.2) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot -16:sc= 0.578! USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 SER OG : rot -61:sc= 0.333 USER MOD Single : A 79 ASN : amide:sc= -0.206 K(o=-0.21,f=-0.98) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 82 SER OG : rot 180:sc= -0.0575 USER MOD Single : A 88 ASN : amide:sc= -0.182 K(o=-0.18,f=-2.9!) USER MOD Single : A 91 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -17.137 12.010 -6.774 1.00 0.00 N ATOM 2 CA ALA A 1 -16.486 12.506 -5.529 1.00 0.00 C ATOM 3 C ALA A 1 -15.159 13.182 -5.882 1.00 0.00 C ATOM 4 O ALA A 1 -14.921 14.320 -5.526 1.00 0.00 O ATOM 5 CB ALA A 1 -16.222 11.328 -4.588 1.00 0.00 C ATOM 0 H1 ALA A 1 -18.039 11.551 -6.535 1.00 0.00 H new ATOM 0 H2 ALA A 1 -17.315 12.809 -7.415 1.00 0.00 H new ATOM 0 H3 ALA A 1 -16.512 11.323 -7.243 1.00 0.00 H new ATOM 0 HA ALA A 1 -17.142 13.225 -5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -15.746 11.690 -3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -17.166 10.844 -4.337 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -15.566 10.610 -5.080 1.00 0.00 H new ATOM 13 N ARG A 2 -14.294 12.486 -6.578 1.00 0.00 N ATOM 14 CA ARG A 2 -12.973 13.074 -6.961 1.00 0.00 C ATOM 15 C ARG A 2 -12.207 13.499 -5.696 1.00 0.00 C ATOM 16 O ARG A 2 -11.975 14.675 -5.477 1.00 0.00 O ATOM 17 CB ARG A 2 -13.201 14.288 -7.869 1.00 0.00 C ATOM 18 CG ARG A 2 -13.818 13.828 -9.191 1.00 0.00 C ATOM 19 CD ARG A 2 -14.484 15.018 -9.886 1.00 0.00 C ATOM 20 NE ARG A 2 -13.437 15.916 -10.448 1.00 0.00 N ATOM 21 CZ ARG A 2 -13.770 17.076 -10.942 1.00 0.00 C ATOM 22 NH1 ARG A 2 -14.562 17.141 -11.978 1.00 0.00 N ATOM 23 NH2 ARG A 2 -13.312 18.173 -10.403 1.00 0.00 N ATOM 0 H ARG A 2 -14.447 11.530 -6.899 1.00 0.00 H new ATOM 0 HA ARG A 2 -12.384 12.330 -7.497 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -13.860 15.004 -7.378 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -12.256 14.799 -8.055 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -13.049 13.402 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -14.552 13.043 -9.008 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -15.142 14.667 -10.681 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -15.105 15.565 -9.177 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.460 15.624 -10.446 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -14.920 16.285 -12.401 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.823 18.048 -12.365 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.693 18.124 -9.594 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.573 19.079 -10.791 1.00 0.00 H new ATOM 37 N PRO A 3 -11.838 12.519 -4.898 1.00 0.00 N ATOM 38 CA PRO A 3 -11.099 12.857 -3.658 1.00 0.00 C ATOM 39 C PRO A 3 -9.637 13.190 -3.972 1.00 0.00 C ATOM 40 O PRO A 3 -9.046 12.654 -4.893 1.00 0.00 O ATOM 41 CB PRO A 3 -11.192 11.601 -2.793 1.00 0.00 C ATOM 42 CG PRO A 3 -11.466 10.433 -3.756 1.00 0.00 C ATOM 43 CD PRO A 3 -12.043 11.052 -5.039 1.00 0.00 C ATOM 0 HA PRO A 3 -11.514 13.732 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.266 11.440 -2.240 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.991 11.694 -2.057 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.550 9.883 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.169 9.725 -3.317 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.535 10.668 -5.923 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.101 10.812 -5.150 1.00 0.00 H new ATOM 51 N ALA A 4 -9.058 14.078 -3.206 1.00 0.00 N ATOM 52 CA ALA A 4 -7.638 14.468 -3.440 1.00 0.00 C ATOM 53 C ALA A 4 -6.711 13.264 -3.240 1.00 0.00 C ATOM 54 O ALA A 4 -5.573 13.288 -3.664 1.00 0.00 O ATOM 55 CB ALA A 4 -7.250 15.573 -2.455 1.00 0.00 C ATOM 0 H ALA A 4 -9.511 14.552 -2.425 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.535 14.826 -4.464 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.212 15.862 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.896 16.438 -2.606 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.365 15.208 -1.435 1.00 0.00 H new ATOM 61 N PHE A 5 -7.177 12.217 -2.595 1.00 0.00 N ATOM 62 CA PHE A 5 -6.305 11.025 -2.371 1.00 0.00 C ATOM 63 C PHE A 5 -6.107 10.268 -3.685 1.00 0.00 C ATOM 64 O PHE A 5 -5.007 9.867 -4.019 1.00 0.00 O ATOM 65 CB PHE A 5 -6.951 10.093 -1.346 1.00 0.00 C ATOM 66 CG PHE A 5 -5.963 9.019 -0.963 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.962 9.292 -0.023 1.00 0.00 C ATOM 68 CD2 PHE A 5 -6.043 7.751 -1.552 1.00 0.00 C ATOM 69 CE1 PHE A 5 -4.042 8.298 0.330 1.00 0.00 C ATOM 70 CE2 PHE A 5 -5.122 6.757 -1.201 1.00 0.00 C ATOM 71 CZ PHE A 5 -4.123 7.030 -0.260 1.00 0.00 C ATOM 0 H PHE A 5 -8.121 12.140 -2.217 1.00 0.00 H new ATOM 0 HA PHE A 5 -5.338 11.363 -1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -7.254 10.657 -0.464 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.852 9.643 -1.762 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.900 10.270 0.430 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.815 7.540 -2.277 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -3.271 8.508 1.056 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.182 5.780 -1.656 1.00 0.00 H new ATOM 0 HZ PHE A 5 -3.414 6.262 0.012 1.00 0.00 H new ATOM 81 N VAL A 6 -7.162 10.067 -4.434 1.00 0.00 N ATOM 82 CA VAL A 6 -7.030 9.338 -5.729 1.00 0.00 C ATOM 83 C VAL A 6 -6.305 10.237 -6.731 1.00 0.00 C ATOM 84 O VAL A 6 -5.586 9.766 -7.592 1.00 0.00 O ATOM 85 CB VAL A 6 -8.418 8.975 -6.265 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.282 8.150 -7.556 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.165 8.159 -5.204 1.00 0.00 C ATOM 0 H VAL A 6 -8.106 10.376 -4.204 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.461 8.420 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.974 9.886 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.273 7.896 -7.931 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.749 8.734 -8.306 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.728 7.235 -7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.155 7.896 -5.577 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.606 7.249 -4.985 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.266 8.751 -4.294 1.00 0.00 H new ATOM 97 N ASN A 7 -6.486 11.529 -6.616 1.00 0.00 N ATOM 98 CA ASN A 7 -5.800 12.466 -7.553 1.00 0.00 C ATOM 99 C ASN A 7 -4.288 12.376 -7.336 1.00 0.00 C ATOM 100 O ASN A 7 -3.517 12.379 -8.276 1.00 0.00 O ATOM 101 CB ASN A 7 -6.270 13.896 -7.281 1.00 0.00 C ATOM 102 CG ASN A 7 -7.690 14.082 -7.820 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.650 13.695 -7.183 1.00 0.00 O ATOM 104 ND2 ASN A 7 -7.866 14.662 -8.976 1.00 0.00 N ATOM 0 H ASN A 7 -7.078 11.973 -5.915 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.040 12.197 -8.582 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.247 14.099 -6.210 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -5.594 14.608 -7.755 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -8.809 14.790 -9.344 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -7.061 14.987 -9.511 1.00 0.00 H new ATOM 111 N LYS A 8 -3.862 12.293 -6.099 1.00 0.00 N ATOM 112 CA LYS A 8 -2.400 12.199 -5.809 1.00 0.00 C ATOM 113 C LYS A 8 -1.900 10.779 -6.106 1.00 0.00 C ATOM 114 O LYS A 8 -0.726 10.566 -6.344 1.00 0.00 O ATOM 115 CB LYS A 8 -2.137 12.540 -4.334 1.00 0.00 C ATOM 116 CG LYS A 8 -2.926 11.593 -3.421 1.00 0.00 C ATOM 117 CD LYS A 8 -2.533 11.832 -1.958 1.00 0.00 C ATOM 118 CE LYS A 8 -2.926 13.257 -1.543 1.00 0.00 C ATOM 119 NZ LYS A 8 -1.821 14.215 -1.862 1.00 0.00 N ATOM 0 H LYS A 8 -4.466 12.286 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.867 12.908 -6.442 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -1.071 12.460 -4.119 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.425 13.572 -4.135 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.996 11.756 -3.551 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.726 10.557 -3.696 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -3.029 11.106 -1.315 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.460 11.689 -1.832 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -3.837 13.556 -2.062 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -3.144 13.285 -0.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -1.543 14.724 -0.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -1.003 13.691 -2.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -2.148 14.897 -2.576 1.00 0.00 H new ATOM 133 N LEU A 9 -2.780 9.807 -6.087 1.00 0.00 N ATOM 134 CA LEU A 9 -2.360 8.401 -6.359 1.00 0.00 C ATOM 135 C LEU A 9 -1.973 8.241 -7.834 1.00 0.00 C ATOM 136 O LEU A 9 -1.174 7.391 -8.181 1.00 0.00 O ATOM 137 CB LEU A 9 -3.521 7.458 -6.036 1.00 0.00 C ATOM 138 CG LEU A 9 -3.038 6.010 -6.123 1.00 0.00 C ATOM 139 CD1 LEU A 9 -2.153 5.694 -4.917 1.00 0.00 C ATOM 140 CD2 LEU A 9 -4.245 5.067 -6.130 1.00 0.00 C ATOM 0 H LEU A 9 -3.774 9.930 -5.894 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.498 8.159 -5.737 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -3.905 7.665 -5.037 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.342 7.622 -6.734 1.00 0.00 H new ATOM 0 HG LEU A 9 -2.465 5.874 -7.040 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.809 4.662 -4.979 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.293 6.364 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.726 5.831 -4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.900 4.035 -6.192 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -4.819 5.203 -5.213 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -4.877 5.291 -6.990 1.00 0.00 H new ATOM 152 N TRP A 10 -2.537 9.041 -8.703 1.00 0.00 N ATOM 153 CA TRP A 10 -2.211 8.924 -10.158 1.00 0.00 C ATOM 154 C TRP A 10 -0.843 9.552 -10.468 1.00 0.00 C ATOM 155 O TRP A 10 -0.367 9.468 -11.585 1.00 0.00 O ATOM 156 CB TRP A 10 -3.285 9.635 -10.983 1.00 0.00 C ATOM 157 CG TRP A 10 -4.603 8.947 -10.807 1.00 0.00 C ATOM 158 CD1 TRP A 10 -5.760 9.568 -10.478 1.00 0.00 C ATOM 159 CD2 TRP A 10 -4.927 7.531 -10.949 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.769 8.627 -10.408 1.00 0.00 N ATOM 161 CE2 TRP A 10 -6.307 7.357 -10.689 1.00 0.00 C ATOM 162 CE3 TRP A 10 -4.167 6.391 -11.273 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -6.912 6.102 -10.749 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -4.774 5.125 -11.334 1.00 0.00 C ATOM 165 CH2 TRP A 10 -6.144 4.981 -11.072 1.00 0.00 C ATOM 0 H TRP A 10 -3.210 9.771 -8.468 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.178 7.865 -10.416 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -3.364 10.677 -10.672 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.004 9.638 -12.036 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -5.875 10.627 -10.299 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -7.738 8.844 -10.177 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -3.111 6.490 -11.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -7.968 5.998 -10.547 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -4.182 4.257 -11.584 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -6.604 4.005 -11.120 1.00 0.00 H new ATOM 176 N SER A 11 -0.206 10.182 -9.506 1.00 0.00 N ATOM 177 CA SER A 11 1.123 10.807 -9.776 1.00 0.00 C ATOM 178 C SER A 11 2.245 9.881 -9.285 1.00 0.00 C ATOM 179 O SER A 11 3.351 9.915 -9.792 1.00 0.00 O ATOM 180 CB SER A 11 1.206 12.165 -9.065 1.00 0.00 C ATOM 181 OG SER A 11 1.637 11.992 -7.716 1.00 0.00 O ATOM 0 H SER A 11 -0.550 10.288 -8.552 1.00 0.00 H new ATOM 0 HA SER A 11 1.240 10.960 -10.849 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.899 12.819 -9.594 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.231 12.653 -9.083 1.00 0.00 H new ATOM 0 HG SER A 11 2.616 11.971 -7.686 1.00 0.00 H new ATOM 187 N MET A 12 1.965 9.054 -8.306 1.00 0.00 N ATOM 188 CA MET A 12 3.013 8.123 -7.784 1.00 0.00 C ATOM 189 C MET A 12 2.985 6.817 -8.584 1.00 0.00 C ATOM 190 O MET A 12 4.010 6.205 -8.816 1.00 0.00 O ATOM 191 CB MET A 12 2.767 7.833 -6.293 1.00 0.00 C ATOM 192 CG MET A 12 1.399 7.169 -6.094 1.00 0.00 C ATOM 193 SD MET A 12 1.103 6.911 -4.327 1.00 0.00 S ATOM 194 CE MET A 12 2.464 5.753 -4.032 1.00 0.00 C ATOM 0 H MET A 12 1.057 8.984 -7.847 1.00 0.00 H new ATOM 0 HA MET A 12 3.992 8.589 -7.893 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.553 7.183 -5.908 1.00 0.00 H new ATOM 0 HB3 MET A 12 2.814 8.761 -5.723 1.00 0.00 H new ATOM 0 HG2 MET A 12 0.614 7.796 -6.517 1.00 0.00 H new ATOM 0 HG3 MET A 12 1.365 6.216 -6.622 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.208 5.095 -3.202 1.00 0.00 H new ATOM 0 HE2 MET A 12 2.635 5.157 -4.928 1.00 0.00 H new ATOM 0 HE3 MET A 12 3.369 6.310 -3.788 1.00 0.00 H new ATOM 204 N VAL A 13 1.823 6.387 -9.007 1.00 0.00 N ATOM 205 CA VAL A 13 1.736 5.118 -9.799 1.00 0.00 C ATOM 206 C VAL A 13 1.856 5.423 -11.305 1.00 0.00 C ATOM 207 O VAL A 13 1.697 4.544 -12.130 1.00 0.00 O ATOM 208 CB VAL A 13 0.395 4.416 -9.528 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.490 2.956 -9.973 1.00 0.00 C ATOM 210 CG2 VAL A 13 0.067 4.456 -8.031 1.00 0.00 C ATOM 0 H VAL A 13 0.933 6.856 -8.840 1.00 0.00 H new ATOM 0 HA VAL A 13 2.554 4.464 -9.496 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.390 4.930 -10.083 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.459 2.455 -9.782 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.715 2.914 -11.039 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.282 2.457 -9.415 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.885 3.956 -7.854 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.853 3.948 -7.473 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.001 5.493 -7.701 1.00 0.00 H new ATOM 220 N ASN A 14 2.135 6.656 -11.672 1.00 0.00 N ATOM 221 CA ASN A 14 2.260 7.004 -13.123 1.00 0.00 C ATOM 222 C ASN A 14 3.436 6.247 -13.758 1.00 0.00 C ATOM 223 O ASN A 14 3.538 6.161 -14.966 1.00 0.00 O ATOM 224 CB ASN A 14 2.493 8.511 -13.264 1.00 0.00 C ATOM 225 CG ASN A 14 2.390 8.910 -14.738 1.00 0.00 C ATOM 226 OD1 ASN A 14 3.385 9.210 -15.369 1.00 0.00 O ATOM 227 ND2 ASN A 14 1.221 8.928 -15.317 1.00 0.00 N ATOM 0 H ASN A 14 2.281 7.433 -11.028 1.00 0.00 H new ATOM 0 HA ASN A 14 1.340 6.719 -13.634 1.00 0.00 H new ATOM 0 HB2 ASN A 14 1.757 9.060 -12.676 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.475 8.776 -12.873 1.00 0.00 H new ATOM 0 HD21 ASN A 14 1.142 9.194 -16.299 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.386 8.676 -14.788 1.00 0.00 H new ATOM 234 N ASP A 15 4.326 5.698 -12.959 1.00 0.00 N ATOM 235 CA ASP A 15 5.494 4.948 -13.520 1.00 0.00 C ATOM 236 C ASP A 15 6.404 5.911 -14.289 1.00 0.00 C ATOM 237 O ASP A 15 7.030 5.542 -15.264 1.00 0.00 O ATOM 238 CB ASP A 15 4.998 3.840 -14.462 1.00 0.00 C ATOM 239 CG ASP A 15 6.130 2.851 -14.739 1.00 0.00 C ATOM 240 OD1 ASP A 15 6.349 1.984 -13.910 1.00 0.00 O ATOM 241 OD2 ASP A 15 6.759 2.975 -15.776 1.00 0.00 O ATOM 0 H ASP A 15 4.291 5.739 -11.940 1.00 0.00 H new ATOM 0 HA ASP A 15 6.056 4.497 -12.702 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.151 3.321 -14.014 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.646 4.276 -15.397 1.00 0.00 H new ATOM 246 N LYS A 16 6.480 7.144 -13.853 1.00 0.00 N ATOM 247 CA LYS A 16 7.348 8.141 -14.549 1.00 0.00 C ATOM 248 C LYS A 16 8.751 8.124 -13.926 1.00 0.00 C ATOM 249 O LYS A 16 9.672 7.545 -14.470 1.00 0.00 O ATOM 250 CB LYS A 16 6.726 9.543 -14.409 1.00 0.00 C ATOM 251 CG LYS A 16 6.341 10.090 -15.791 1.00 0.00 C ATOM 252 CD LYS A 16 7.332 11.178 -16.216 1.00 0.00 C ATOM 253 CE LYS A 16 8.495 10.541 -16.977 1.00 0.00 C ATOM 254 NZ LYS A 16 8.105 10.339 -18.402 1.00 0.00 N ATOM 0 H LYS A 16 5.976 7.503 -13.042 1.00 0.00 H new ATOM 0 HA LYS A 16 7.426 7.886 -15.606 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.845 9.496 -13.769 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.434 10.217 -13.927 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.338 9.283 -16.523 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.331 10.498 -15.762 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.832 11.914 -16.845 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.704 11.708 -15.339 1.00 0.00 H new ATOM 0 HE2 LYS A 16 9.376 11.180 -16.917 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.762 9.587 -16.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 8.896 9.906 -18.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.276 9.713 -18.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 7.871 11.257 -18.831 1.00 0.00 H new ATOM 268 N SER A 17 8.914 8.752 -12.787 1.00 0.00 N ATOM 269 CA SER A 17 10.250 8.774 -12.119 1.00 0.00 C ATOM 270 C SER A 17 10.488 7.428 -11.433 1.00 0.00 C ATOM 271 O SER A 17 11.606 6.959 -11.333 1.00 0.00 O ATOM 272 CB SER A 17 10.277 9.890 -11.074 1.00 0.00 C ATOM 273 OG SER A 17 9.359 9.579 -10.034 1.00 0.00 O ATOM 0 H SER A 17 8.176 9.251 -12.291 1.00 0.00 H new ATOM 0 HA SER A 17 11.030 8.952 -12.859 1.00 0.00 H new ATOM 0 HB2 SER A 17 11.282 9.999 -10.667 1.00 0.00 H new ATOM 0 HB3 SER A 17 10.014 10.842 -11.535 1.00 0.00 H new ATOM 0 HG SER A 17 9.374 10.291 -9.361 1.00 0.00 H new ATOM 279 N ASN A 18 9.437 6.804 -10.967 1.00 0.00 N ATOM 280 CA ASN A 18 9.577 5.478 -10.292 1.00 0.00 C ATOM 281 C ASN A 18 9.233 4.376 -11.294 1.00 0.00 C ATOM 282 O ASN A 18 8.609 3.387 -10.958 1.00 0.00 O ATOM 283 CB ASN A 18 8.622 5.399 -9.092 1.00 0.00 C ATOM 284 CG ASN A 18 7.214 5.835 -9.513 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.525 5.114 -10.206 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.756 6.994 -9.122 1.00 0.00 N ATOM 0 H ASN A 18 8.482 7.158 -11.025 1.00 0.00 H new ATOM 0 HA ASN A 18 10.600 5.353 -9.938 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.596 4.381 -8.704 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.984 6.038 -8.286 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.821 7.292 -9.399 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.334 7.601 -8.540 1.00 0.00 H new ATOM 293 N GLU A 19 9.631 4.551 -12.529 1.00 0.00 N ATOM 294 CA GLU A 19 9.328 3.534 -13.576 1.00 0.00 C ATOM 295 C GLU A 19 10.042 2.216 -13.256 1.00 0.00 C ATOM 296 O GLU A 19 9.616 1.157 -13.678 1.00 0.00 O ATOM 297 CB GLU A 19 9.788 4.059 -14.945 1.00 0.00 C ATOM 298 CG GLU A 19 11.299 4.318 -14.930 1.00 0.00 C ATOM 299 CD GLU A 19 11.704 5.064 -16.202 1.00 0.00 C ATOM 300 OE1 GLU A 19 11.674 4.454 -17.258 1.00 0.00 O ATOM 301 OE2 GLU A 19 12.038 6.233 -16.099 1.00 0.00 O ATOM 0 H GLU A 19 10.156 5.361 -12.857 1.00 0.00 H new ATOM 0 HA GLU A 19 8.254 3.352 -13.598 1.00 0.00 H new ATOM 0 HB2 GLU A 19 9.543 3.335 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.256 4.979 -15.188 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.569 4.904 -14.051 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.839 3.374 -14.862 1.00 0.00 H new ATOM 308 N LYS A 20 11.124 2.271 -12.519 1.00 0.00 N ATOM 309 CA LYS A 20 11.865 1.021 -12.179 1.00 0.00 C ATOM 310 C LYS A 20 11.440 0.522 -10.796 1.00 0.00 C ATOM 311 O LYS A 20 12.208 -0.111 -10.095 1.00 0.00 O ATOM 312 CB LYS A 20 13.370 1.309 -12.180 1.00 0.00 C ATOM 313 CG LYS A 20 13.906 1.273 -13.621 1.00 0.00 C ATOM 314 CD LYS A 20 14.930 0.139 -13.773 1.00 0.00 C ATOM 315 CE LYS A 20 16.348 0.715 -13.736 1.00 0.00 C ATOM 316 NZ LYS A 20 16.681 1.128 -12.343 1.00 0.00 N ATOM 0 H LYS A 20 11.525 3.129 -12.139 1.00 0.00 H new ATOM 0 HA LYS A 20 11.637 0.254 -12.919 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.563 2.285 -11.735 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.891 0.571 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 20 13.083 1.127 -14.320 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.369 2.228 -13.869 1.00 0.00 H new ATOM 0 HD2 LYS A 20 14.802 -0.589 -12.972 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.766 -0.389 -14.713 1.00 0.00 H new ATOM 0 HE2 LYS A 20 17.063 -0.029 -14.087 1.00 0.00 H new ATOM 0 HE3 LYS A 20 16.422 1.570 -14.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 17.644 1.519 -12.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.005 1.851 -12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 16.626 0.302 -11.714 1.00 0.00 H new ATOM 330 N PHE A 21 10.220 0.796 -10.399 1.00 0.00 N ATOM 331 CA PHE A 21 9.742 0.333 -9.062 1.00 0.00 C ATOM 332 C PHE A 21 8.267 -0.065 -9.156 1.00 0.00 C ATOM 333 O PHE A 21 7.936 -1.235 -9.202 1.00 0.00 O ATOM 334 CB PHE A 21 9.908 1.460 -8.041 1.00 0.00 C ATOM 335 CG PHE A 21 11.377 1.672 -7.765 1.00 0.00 C ATOM 336 CD1 PHE A 21 12.153 0.620 -7.267 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.962 2.921 -8.005 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.515 0.815 -7.009 1.00 0.00 C ATOM 339 CE2 PHE A 21 13.325 3.116 -7.748 1.00 0.00 C ATOM 340 CZ PHE A 21 14.101 2.062 -7.249 1.00 0.00 C ATOM 0 H PHE A 21 9.536 1.320 -10.945 1.00 0.00 H new ATOM 0 HA PHE A 21 10.328 -0.529 -8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 21 9.461 2.379 -8.421 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.385 1.210 -7.118 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.701 -0.343 -7.081 1.00 0.00 H new ATOM 0 HD2 PHE A 21 11.363 3.734 -8.388 1.00 0.00 H new ATOM 0 HE1 PHE A 21 14.113 0.002 -6.625 1.00 0.00 H new ATOM 0 HE2 PHE A 21 13.778 4.079 -7.935 1.00 0.00 H new ATOM 0 HZ PHE A 21 15.152 2.212 -7.050 1.00 0.00 H new ATOM 350 N ILE A 22 7.379 0.898 -9.186 1.00 0.00 N ATOM 351 CA ILE A 22 5.925 0.579 -9.279 1.00 0.00 C ATOM 352 C ILE A 22 5.482 0.688 -10.741 1.00 0.00 C ATOM 353 O ILE A 22 6.017 1.474 -11.500 1.00 0.00 O ATOM 354 CB ILE A 22 5.130 1.560 -8.401 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.635 1.229 -8.476 1.00 0.00 C ATOM 356 CG2 ILE A 22 5.358 2.997 -8.878 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.896 1.952 -7.347 1.00 0.00 C ATOM 0 H ILE A 22 7.601 1.893 -9.150 1.00 0.00 H new ATOM 0 HA ILE A 22 5.740 -0.435 -8.926 1.00 0.00 H new ATOM 0 HB ILE A 22 5.472 1.466 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE A 22 3.232 1.533 -9.442 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.485 0.153 -8.393 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.791 3.683 -8.250 1.00 0.00 H new ATOM 0 HG22 ILE A 22 6.419 3.238 -8.813 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.027 3.094 -9.912 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.833 1.717 -7.399 1.00 0.00 H new ATOM 0 HD12 ILE A 22 3.293 1.626 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.036 3.028 -7.451 1.00 0.00 H new ATOM 369 N HIS A 23 4.515 -0.100 -11.140 1.00 0.00 N ATOM 370 CA HIS A 23 4.042 -0.049 -12.555 1.00 0.00 C ATOM 371 C HIS A 23 2.647 -0.661 -12.659 1.00 0.00 C ATOM 372 O HIS A 23 2.226 -1.428 -11.813 1.00 0.00 O ATOM 373 CB HIS A 23 5.009 -0.832 -13.449 1.00 0.00 C ATOM 374 CG HIS A 23 5.212 -2.216 -12.892 1.00 0.00 C ATOM 375 ND1 HIS A 23 4.662 -3.343 -13.485 1.00 0.00 N ATOM 376 CD2 HIS A 23 5.905 -2.670 -11.797 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.031 -4.409 -12.750 1.00 0.00 C ATOM 378 NE2 HIS A 23 5.789 -4.055 -11.710 1.00 0.00 N ATOM 0 H HIS A 23 4.034 -0.776 -10.546 1.00 0.00 H new ATOM 0 HA HIS A 23 4.004 0.991 -12.881 1.00 0.00 H new ATOM 0 HB2 HIS A 23 4.613 -0.893 -14.463 1.00 0.00 H new ATOM 0 HB3 HIS A 23 5.965 -0.311 -13.510 1.00 0.00 H new ATOM 0 HD1 HIS A 23 4.083 -3.361 -14.325 1.00 0.00 H new ATOM 0 HD2 HIS A 23 6.456 -2.047 -11.108 1.00 0.00 H new ATOM 0 HE1 HIS A 23 4.748 -5.427 -12.975 1.00 0.00 H new ATOM 386 N TRP A 24 1.931 -0.325 -13.701 1.00 0.00 N ATOM 387 CA TRP A 24 0.560 -0.879 -13.891 1.00 0.00 C ATOM 388 C TRP A 24 0.662 -2.305 -14.435 1.00 0.00 C ATOM 389 O TRP A 24 1.597 -2.643 -15.137 1.00 0.00 O ATOM 390 CB TRP A 24 -0.201 -0.019 -14.905 1.00 0.00 C ATOM 391 CG TRP A 24 -0.652 1.269 -14.284 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.047 2.001 -13.384 1.00 0.00 C ATOM 393 CD2 TRP A 24 -1.891 1.994 -14.522 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.688 3.125 -13.055 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.891 3.166 -13.731 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.008 1.749 -15.342 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.959 4.064 -13.752 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.084 2.650 -15.367 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.059 3.805 -14.573 1.00 0.00 C ATOM 0 H TRP A 24 2.241 0.314 -14.433 1.00 0.00 H new ATOM 0 HA TRP A 24 0.035 -0.880 -12.936 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.439 0.191 -15.762 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.065 -0.569 -15.279 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.019 1.748 -12.988 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.379 3.837 -12.393 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.038 0.861 -15.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.935 4.952 -13.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -4.936 2.452 -16.001 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -4.890 4.494 -14.596 1.00 0.00 H new ATOM 410 N SER A 25 -0.302 -3.135 -14.132 1.00 0.00 N ATOM 411 CA SER A 25 -0.280 -4.534 -14.646 1.00 0.00 C ATOM 412 C SER A 25 -0.923 -4.553 -16.037 1.00 0.00 C ATOM 413 O SER A 25 -1.424 -3.548 -16.503 1.00 0.00 O ATOM 414 CB SER A 25 -1.070 -5.436 -13.697 1.00 0.00 C ATOM 415 OG SER A 25 -0.996 -6.782 -14.150 1.00 0.00 O ATOM 0 H SER A 25 -1.106 -2.902 -13.549 1.00 0.00 H new ATOM 0 HA SER A 25 0.746 -4.897 -14.708 1.00 0.00 H new ATOM 0 HB2 SER A 25 -0.669 -5.359 -12.687 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.110 -5.113 -13.653 1.00 0.00 H new ATOM 0 HG SER A 25 -1.501 -7.360 -13.541 1.00 0.00 H new ATOM 421 N THR A 26 -0.915 -5.681 -16.704 1.00 0.00 N ATOM 422 CA THR A 26 -1.531 -5.753 -18.066 1.00 0.00 C ATOM 423 C THR A 26 -3.021 -5.410 -17.968 1.00 0.00 C ATOM 424 O THR A 26 -3.684 -5.803 -17.029 1.00 0.00 O ATOM 425 CB THR A 26 -1.367 -7.168 -18.629 1.00 0.00 C ATOM 426 OG1 THR A 26 -0.016 -7.581 -18.480 1.00 0.00 O ATOM 427 CG2 THR A 26 -1.745 -7.176 -20.111 1.00 0.00 C ATOM 0 H THR A 26 -0.509 -6.553 -16.365 1.00 0.00 H new ATOM 0 HA THR A 26 -1.036 -5.042 -18.728 1.00 0.00 H new ATOM 0 HB THR A 26 -2.019 -7.853 -18.087 1.00 0.00 H new ATOM 0 HG1 THR A 26 0.091 -8.487 -18.838 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.628 -8.183 -20.511 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.782 -6.859 -20.224 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.095 -6.492 -20.656 1.00 0.00 H new ATOM 435 N SER A 27 -3.535 -4.674 -18.936 1.00 0.00 N ATOM 436 CA SER A 27 -4.987 -4.256 -18.957 1.00 0.00 C ATOM 437 C SER A 27 -5.176 -2.988 -18.115 1.00 0.00 C ATOM 438 O SER A 27 -5.641 -1.977 -18.608 1.00 0.00 O ATOM 439 CB SER A 27 -5.909 -5.365 -18.427 1.00 0.00 C ATOM 440 OG SER A 27 -7.142 -5.329 -19.134 1.00 0.00 O ATOM 0 H SER A 27 -2.995 -4.337 -19.733 1.00 0.00 H new ATOM 0 HA SER A 27 -5.258 -4.060 -19.994 1.00 0.00 H new ATOM 0 HB2 SER A 27 -5.434 -6.338 -18.550 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.084 -5.229 -17.360 1.00 0.00 H new ATOM 0 HG SER A 27 -7.732 -6.036 -18.799 1.00 0.00 H new ATOM 446 N GLY A 28 -4.823 -3.030 -16.854 1.00 0.00 N ATOM 447 CA GLY A 28 -4.984 -1.830 -15.984 1.00 0.00 C ATOM 448 C GLY A 28 -5.890 -2.175 -14.800 1.00 0.00 C ATOM 449 O GLY A 28 -6.158 -3.330 -14.528 1.00 0.00 O ATOM 0 H GLY A 28 -4.429 -3.849 -16.390 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.011 -1.495 -15.625 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.413 -1.008 -16.556 1.00 0.00 H new ATOM 453 N GLU A 29 -6.362 -1.178 -14.092 1.00 0.00 N ATOM 454 CA GLU A 29 -7.254 -1.432 -12.919 1.00 0.00 C ATOM 455 C GLU A 29 -6.523 -2.301 -11.888 1.00 0.00 C ATOM 456 O GLU A 29 -7.135 -3.069 -11.169 1.00 0.00 O ATOM 457 CB GLU A 29 -8.525 -2.149 -13.383 1.00 0.00 C ATOM 458 CG GLU A 29 -9.615 -1.116 -13.680 1.00 0.00 C ATOM 459 CD GLU A 29 -10.511 -0.947 -12.451 1.00 0.00 C ATOM 460 OE1 GLU A 29 -10.772 -1.938 -11.790 1.00 0.00 O ATOM 461 OE2 GLU A 29 -10.921 0.174 -12.191 1.00 0.00 O ATOM 0 H GLU A 29 -6.166 -0.194 -14.278 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.522 -0.479 -12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.317 -2.740 -14.275 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.866 -2.842 -12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.162 -0.161 -13.946 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.210 -1.436 -14.535 1.00 0.00 H new ATOM 468 N SER A 30 -5.221 -2.184 -11.814 1.00 0.00 N ATOM 469 CA SER A 30 -4.445 -3.000 -10.831 1.00 0.00 C ATOM 470 C SER A 30 -2.993 -2.516 -10.786 1.00 0.00 C ATOM 471 O SER A 30 -2.396 -2.223 -11.805 1.00 0.00 O ATOM 472 CB SER A 30 -4.475 -4.470 -11.249 1.00 0.00 C ATOM 473 OG SER A 30 -4.340 -4.563 -12.661 1.00 0.00 O ATOM 0 H SER A 30 -4.661 -1.558 -12.393 1.00 0.00 H new ATOM 0 HA SER A 30 -4.893 -2.891 -9.844 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.668 -5.015 -10.759 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.410 -4.931 -10.931 1.00 0.00 H new ATOM 0 HG SER A 30 -5.141 -4.196 -13.091 1.00 0.00 H new ATOM 479 N ILE A 31 -2.424 -2.439 -9.610 1.00 0.00 N ATOM 480 CA ILE A 31 -1.006 -1.983 -9.480 1.00 0.00 C ATOM 481 C ILE A 31 -0.165 -3.124 -8.900 1.00 0.00 C ATOM 482 O ILE A 31 -0.643 -3.903 -8.097 1.00 0.00 O ATOM 483 CB ILE A 31 -0.941 -0.776 -8.543 1.00 0.00 C ATOM 484 CG1 ILE A 31 -1.923 0.299 -9.019 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.477 -0.201 -8.546 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.035 1.390 -7.953 1.00 0.00 C ATOM 0 H ILE A 31 -2.883 -2.673 -8.730 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.620 -1.701 -10.459 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.206 -1.091 -7.534 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.581 0.729 -9.961 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.901 -0.143 -9.207 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.522 0.659 -7.878 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.179 -0.962 -8.206 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.741 0.110 -9.557 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.733 2.157 -8.289 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.396 0.953 -7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.056 1.839 -7.787 1.00 0.00 H new ATOM 498 N VAL A 32 1.079 -3.233 -9.299 1.00 0.00 N ATOM 499 CA VAL A 32 1.940 -4.333 -8.767 1.00 0.00 C ATOM 500 C VAL A 32 3.182 -3.746 -8.091 1.00 0.00 C ATOM 501 O VAL A 32 3.856 -2.894 -8.638 1.00 0.00 O ATOM 502 CB VAL A 32 2.370 -5.255 -9.913 1.00 0.00 C ATOM 503 CG1 VAL A 32 3.128 -6.459 -9.347 1.00 0.00 C ATOM 504 CG2 VAL A 32 1.132 -5.753 -10.669 1.00 0.00 C ATOM 0 H VAL A 32 1.533 -2.610 -9.967 1.00 0.00 H new ATOM 0 HA VAL A 32 1.370 -4.905 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 32 3.016 -4.700 -10.593 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.433 -7.114 -10.163 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.011 -6.113 -8.810 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.480 -7.009 -8.664 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.442 -6.408 -11.483 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.486 -6.304 -9.986 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.587 -4.901 -11.076 1.00 0.00 H new ATOM 514 N VAL A 33 3.492 -4.211 -6.907 1.00 0.00 N ATOM 515 CA VAL A 33 4.694 -3.706 -6.182 1.00 0.00 C ATOM 516 C VAL A 33 5.750 -4.819 -6.139 1.00 0.00 C ATOM 517 O VAL A 33 5.775 -5.602 -5.209 1.00 0.00 O ATOM 518 CB VAL A 33 4.305 -3.317 -4.752 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.505 -2.672 -4.052 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.144 -2.322 -4.797 1.00 0.00 C ATOM 0 H VAL A 33 2.959 -4.924 -6.409 1.00 0.00 H new ATOM 0 HA VAL A 33 5.095 -2.832 -6.695 1.00 0.00 H new ATOM 0 HB VAL A 33 4.002 -4.207 -4.201 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.227 -2.396 -3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.333 -3.380 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.810 -1.780 -4.600 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.864 -2.043 -3.781 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.449 -1.432 -5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.290 -2.781 -5.295 1.00 0.00 H new ATOM 530 N PRO A 34 6.586 -4.866 -7.160 1.00 0.00 N ATOM 531 CA PRO A 34 7.620 -5.933 -7.181 1.00 0.00 C ATOM 532 C PRO A 34 8.562 -5.792 -5.982 1.00 0.00 C ATOM 533 O PRO A 34 9.129 -6.760 -5.511 1.00 0.00 O ATOM 534 CB PRO A 34 8.374 -5.718 -8.492 1.00 0.00 C ATOM 535 CG PRO A 34 8.149 -4.248 -8.886 1.00 0.00 C ATOM 536 CD PRO A 34 6.903 -3.773 -8.120 1.00 0.00 C ATOM 0 HA PRO A 34 7.187 -6.931 -7.117 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.436 -5.929 -8.368 1.00 0.00 H new ATOM 0 HB3 PRO A 34 8.004 -6.389 -9.267 1.00 0.00 H new ATOM 0 HG2 PRO A 34 9.017 -3.641 -8.629 1.00 0.00 H new ATOM 0 HG3 PRO A 34 8.002 -4.154 -9.962 1.00 0.00 H new ATOM 0 HD2 PRO A 34 7.097 -2.836 -7.598 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.070 -3.593 -8.799 1.00 0.00 H new ATOM 544 N ASN A 35 8.725 -4.594 -5.485 1.00 0.00 N ATOM 545 CA ASN A 35 9.623 -4.378 -4.311 1.00 0.00 C ATOM 546 C ASN A 35 9.011 -3.314 -3.398 1.00 0.00 C ATOM 547 O ASN A 35 9.231 -2.133 -3.570 1.00 0.00 O ATOM 548 CB ASN A 35 11.016 -3.925 -4.778 1.00 0.00 C ATOM 549 CG ASN A 35 10.897 -2.880 -5.894 1.00 0.00 C ATOM 550 OD1 ASN A 35 10.521 -1.751 -5.652 1.00 0.00 O ATOM 551 ND2 ASN A 35 11.208 -3.214 -7.117 1.00 0.00 N ATOM 0 H ASN A 35 8.273 -3.752 -5.843 1.00 0.00 H new ATOM 0 HA ASN A 35 9.729 -5.315 -3.765 1.00 0.00 H new ATOM 0 HB2 ASN A 35 11.569 -3.506 -3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.583 -4.784 -5.136 1.00 0.00 H new ATOM 0 HD21 ASN A 35 11.135 -2.527 -7.867 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.524 -4.162 -7.322 1.00 0.00 H new ATOM 558 N ARG A 36 8.239 -3.734 -2.428 1.00 0.00 N ATOM 559 CA ARG A 36 7.600 -2.761 -1.492 1.00 0.00 C ATOM 560 C ARG A 36 8.652 -2.157 -0.552 1.00 0.00 C ATOM 561 O ARG A 36 8.408 -1.154 0.092 1.00 0.00 O ATOM 562 CB ARG A 36 6.536 -3.486 -0.663 1.00 0.00 C ATOM 563 CG ARG A 36 5.756 -2.468 0.173 1.00 0.00 C ATOM 564 CD ARG A 36 6.410 -2.317 1.549 1.00 0.00 C ATOM 565 NE ARG A 36 5.591 -3.030 2.570 1.00 0.00 N ATOM 566 CZ ARG A 36 5.301 -2.446 3.703 1.00 0.00 C ATOM 567 NH1 ARG A 36 6.183 -1.685 4.296 1.00 0.00 N ATOM 568 NH2 ARG A 36 4.127 -2.623 4.244 1.00 0.00 N ATOM 0 H ARG A 36 8.023 -4.714 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 36 7.141 -1.959 -2.070 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.857 -4.030 -1.320 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.007 -4.222 -0.012 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.734 -1.505 -0.337 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.721 -2.792 0.286 1.00 0.00 H new ATOM 0 HD2 ARG A 36 7.421 -2.724 1.529 1.00 0.00 H new ATOM 0 HD3 ARG A 36 6.496 -1.262 1.809 1.00 0.00 H new ATOM 0 HE ARG A 36 5.256 -3.975 2.384 1.00 0.00 H new ATOM 0 HH11 ARG A 36 7.101 -1.545 3.875 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.953 -1.231 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 36 3.437 -3.216 3.783 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.899 -2.168 5.128 1.00 0.00 H new ATOM 582 N GLU A 37 9.814 -2.759 -0.459 1.00 0.00 N ATOM 583 CA GLU A 37 10.871 -2.220 0.447 1.00 0.00 C ATOM 584 C GLU A 37 11.605 -1.061 -0.234 1.00 0.00 C ATOM 585 O GLU A 37 11.690 0.028 0.301 1.00 0.00 O ATOM 586 CB GLU A 37 11.873 -3.331 0.770 1.00 0.00 C ATOM 587 CG GLU A 37 12.662 -2.961 2.030 1.00 0.00 C ATOM 588 CD GLU A 37 12.084 -3.705 3.235 1.00 0.00 C ATOM 589 OE1 GLU A 37 10.878 -3.890 3.270 1.00 0.00 O ATOM 590 OE2 GLU A 37 12.857 -4.080 4.102 1.00 0.00 O ATOM 0 H GLU A 37 10.074 -3.601 -0.973 1.00 0.00 H new ATOM 0 HA GLU A 37 10.406 -1.860 1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.349 -4.275 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 37 12.554 -3.475 -0.069 1.00 0.00 H new ATOM 0 HG2 GLU A 37 13.713 -3.218 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.615 -1.885 2.198 1.00 0.00 H new ATOM 597 N ARG A 38 12.145 -1.292 -1.403 1.00 0.00 N ATOM 598 CA ARG A 38 12.889 -0.213 -2.122 1.00 0.00 C ATOM 599 C ARG A 38 11.911 0.877 -2.572 1.00 0.00 C ATOM 600 O ARG A 38 12.261 2.039 -2.663 1.00 0.00 O ATOM 601 CB ARG A 38 13.593 -0.820 -3.347 1.00 0.00 C ATOM 602 CG ARG A 38 15.106 -0.558 -3.277 1.00 0.00 C ATOM 603 CD ARG A 38 15.869 -1.869 -3.482 1.00 0.00 C ATOM 604 NE ARG A 38 16.264 -1.994 -4.912 1.00 0.00 N ATOM 605 CZ ARG A 38 17.491 -2.305 -5.223 1.00 0.00 C ATOM 606 NH1 ARG A 38 18.454 -1.448 -5.015 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.756 -3.473 -5.740 1.00 0.00 N ATOM 0 H ARG A 38 12.103 -2.186 -1.893 1.00 0.00 H new ATOM 0 HA ARG A 38 13.630 0.230 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 38 13.404 -1.893 -3.389 1.00 0.00 H new ATOM 0 HB3 ARG A 38 13.184 -0.389 -4.261 1.00 0.00 H new ATOM 0 HG2 ARG A 38 15.395 0.165 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 38 15.365 -0.123 -2.312 1.00 0.00 H new ATOM 0 HD2 ARG A 38 16.754 -1.891 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 38 15.246 -2.714 -3.190 1.00 0.00 H new ATOM 0 HE ARG A 38 15.575 -1.836 -5.648 1.00 0.00 H new ATOM 0 HH11 ARG A 38 18.246 -0.536 -4.609 1.00 0.00 H new ATOM 0 HH12 ARG A 38 19.414 -1.691 -5.258 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.003 -4.142 -5.901 1.00 0.00 H new ATOM 0 HH22 ARG A 38 18.716 -3.717 -5.984 1.00 0.00 H new ATOM 621 N PHE A 39 10.691 0.505 -2.856 1.00 0.00 N ATOM 622 CA PHE A 39 9.677 1.503 -3.306 1.00 0.00 C ATOM 623 C PHE A 39 9.431 2.519 -2.183 1.00 0.00 C ATOM 624 O PHE A 39 9.736 3.689 -2.315 1.00 0.00 O ATOM 625 CB PHE A 39 8.377 0.758 -3.654 1.00 0.00 C ATOM 626 CG PHE A 39 7.252 1.733 -3.934 1.00 0.00 C ATOM 627 CD1 PHE A 39 7.131 2.325 -5.196 1.00 0.00 C ATOM 628 CD2 PHE A 39 6.325 2.031 -2.929 1.00 0.00 C ATOM 629 CE1 PHE A 39 6.084 3.215 -5.454 1.00 0.00 C ATOM 630 CE2 PHE A 39 5.278 2.925 -3.186 1.00 0.00 C ATOM 631 CZ PHE A 39 5.156 3.516 -4.449 1.00 0.00 C ATOM 0 H PHE A 39 10.351 -0.455 -2.795 1.00 0.00 H new ATOM 0 HA PHE A 39 10.032 2.038 -4.186 1.00 0.00 H new ATOM 0 HB2 PHE A 39 8.539 0.124 -4.526 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.098 0.102 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 39 7.847 2.094 -5.971 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.417 1.572 -1.956 1.00 0.00 H new ATOM 0 HE1 PHE A 39 5.991 3.671 -6.429 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.565 3.158 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.347 4.203 -4.648 1.00 0.00 H new ATOM 641 N VAL A 40 8.874 2.078 -1.084 1.00 0.00 N ATOM 642 CA VAL A 40 8.590 3.006 0.056 1.00 0.00 C ATOM 643 C VAL A 40 9.867 3.767 0.445 1.00 0.00 C ATOM 644 O VAL A 40 9.827 4.940 0.755 1.00 0.00 O ATOM 645 CB VAL A 40 8.093 2.185 1.256 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.776 3.108 2.438 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.827 1.421 0.864 1.00 0.00 C ATOM 0 H VAL A 40 8.601 1.108 -0.925 1.00 0.00 H new ATOM 0 HA VAL A 40 7.828 3.726 -0.242 1.00 0.00 H new ATOM 0 HB VAL A 40 8.875 1.484 1.549 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.425 2.512 3.281 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.676 3.651 2.727 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.001 3.818 2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.475 0.839 1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 40 6.054 2.128 0.563 1.00 0.00 H new ATOM 0 HG23 VAL A 40 7.049 0.751 0.033 1.00 0.00 H new ATOM 657 N GLN A 41 10.985 3.095 0.436 1.00 0.00 N ATOM 658 CA GLN A 41 12.273 3.748 0.819 1.00 0.00 C ATOM 659 C GLN A 41 12.563 4.971 -0.061 1.00 0.00 C ATOM 660 O GLN A 41 13.082 5.965 0.415 1.00 0.00 O ATOM 661 CB GLN A 41 13.420 2.746 0.668 1.00 0.00 C ATOM 662 CG GLN A 41 14.624 3.216 1.498 1.00 0.00 C ATOM 663 CD GLN A 41 14.810 2.303 2.713 1.00 0.00 C ATOM 664 OE1 GLN A 41 13.852 1.921 3.355 1.00 0.00 O ATOM 665 NE2 GLN A 41 16.014 1.935 3.056 1.00 0.00 N ATOM 0 H GLN A 41 11.064 2.111 0.177 1.00 0.00 H new ATOM 0 HA GLN A 41 12.188 4.077 1.855 1.00 0.00 H new ATOM 0 HB2 GLN A 41 13.100 1.758 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.701 2.655 -0.381 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.525 3.207 0.885 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.471 4.244 1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.818 2.256 2.517 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.151 1.327 3.863 1.00 0.00 H new ATOM 674 N GLU A 42 12.263 4.904 -1.336 1.00 0.00 N ATOM 675 CA GLU A 42 12.558 6.067 -2.230 1.00 0.00 C ATOM 676 C GLU A 42 11.322 6.464 -3.041 1.00 0.00 C ATOM 677 O GLU A 42 11.442 6.965 -4.145 1.00 0.00 O ATOM 678 CB GLU A 42 13.686 5.687 -3.192 1.00 0.00 C ATOM 679 CG GLU A 42 15.010 5.618 -2.428 1.00 0.00 C ATOM 680 CD GLU A 42 16.011 4.769 -3.216 1.00 0.00 C ATOM 681 OE1 GLU A 42 15.697 3.622 -3.490 1.00 0.00 O ATOM 682 OE2 GLU A 42 17.072 5.281 -3.533 1.00 0.00 O ATOM 0 H GLU A 42 11.830 4.101 -1.793 1.00 0.00 H new ATOM 0 HA GLU A 42 12.854 6.914 -1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 42 13.472 4.725 -3.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.756 6.421 -3.995 1.00 0.00 H new ATOM 0 HG2 GLU A 42 15.408 6.622 -2.277 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.850 5.187 -1.440 1.00 0.00 H new ATOM 689 N VAL A 43 10.141 6.257 -2.514 1.00 0.00 N ATOM 690 CA VAL A 43 8.913 6.642 -3.279 1.00 0.00 C ATOM 691 C VAL A 43 7.786 7.111 -2.340 1.00 0.00 C ATOM 692 O VAL A 43 6.989 7.952 -2.716 1.00 0.00 O ATOM 693 CB VAL A 43 8.428 5.453 -4.118 1.00 0.00 C ATOM 694 CG1 VAL A 43 7.286 5.911 -5.029 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.581 4.932 -4.982 1.00 0.00 C ATOM 0 H VAL A 43 9.973 5.843 -1.597 1.00 0.00 H new ATOM 0 HA VAL A 43 9.173 7.473 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 43 8.079 4.660 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.938 5.069 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.464 6.288 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.642 6.702 -5.689 1.00 0.00 H new ATOM 0 HG21 VAL A 43 9.236 4.087 -5.578 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.927 5.726 -5.644 1.00 0.00 H new ATOM 0 HG23 VAL A 43 10.401 4.612 -4.340 1.00 0.00 H new ATOM 705 N LEU A 44 7.693 6.583 -1.138 1.00 0.00 N ATOM 706 CA LEU A 44 6.594 7.019 -0.221 1.00 0.00 C ATOM 707 C LEU A 44 6.891 8.413 0.362 1.00 0.00 C ATOM 708 O LEU A 44 6.014 9.254 0.388 1.00 0.00 O ATOM 709 CB LEU A 44 6.424 6.005 0.914 1.00 0.00 C ATOM 710 CG LEU A 44 5.029 6.156 1.523 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.991 5.559 0.571 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.979 5.418 2.866 1.00 0.00 C ATOM 0 H LEU A 44 8.324 5.877 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 44 5.669 7.074 -0.795 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.560 4.992 0.535 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.186 6.165 1.677 1.00 0.00 H new ATOM 0 HG LEU A 44 4.810 7.212 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.996 5.666 1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.029 6.083 -0.384 1.00 0.00 H new ATOM 0 HD13 LEU A 44 4.207 4.502 0.414 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.986 5.524 3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 44 5.196 4.361 2.709 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.720 5.843 3.543 1.00 0.00 H new ATOM 724 N PRO A 45 8.114 8.620 0.813 1.00 0.00 N ATOM 725 CA PRO A 45 8.431 9.959 1.381 1.00 0.00 C ATOM 726 C PRO A 45 8.708 10.985 0.271 1.00 0.00 C ATOM 727 O PRO A 45 8.956 12.145 0.549 1.00 0.00 O ATOM 728 CB PRO A 45 9.687 9.738 2.222 1.00 0.00 C ATOM 729 CG PRO A 45 10.362 8.477 1.660 1.00 0.00 C ATOM 730 CD PRO A 45 9.265 7.686 0.931 1.00 0.00 C ATOM 0 HA PRO A 45 7.600 10.355 1.964 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.354 10.598 2.159 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.433 9.608 3.274 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.170 8.740 0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.802 7.883 2.461 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.605 7.356 -0.051 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.989 6.792 1.490 1.00 0.00 H new ATOM 738 N LYS A 46 8.675 10.579 -0.977 1.00 0.00 N ATOM 739 CA LYS A 46 8.944 11.542 -2.086 1.00 0.00 C ATOM 740 C LYS A 46 7.660 12.300 -2.431 1.00 0.00 C ATOM 741 O LYS A 46 7.693 13.468 -2.770 1.00 0.00 O ATOM 742 CB LYS A 46 9.439 10.770 -3.317 1.00 0.00 C ATOM 743 CG LYS A 46 10.680 11.457 -3.894 1.00 0.00 C ATOM 744 CD LYS A 46 11.932 10.894 -3.219 1.00 0.00 C ATOM 745 CE LYS A 46 13.149 11.138 -4.113 1.00 0.00 C ATOM 746 NZ LYS A 46 13.402 12.603 -4.219 1.00 0.00 N ATOM 0 H LYS A 46 8.474 9.624 -1.272 1.00 0.00 H new ATOM 0 HA LYS A 46 9.706 12.256 -1.775 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.675 9.742 -3.042 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.653 10.726 -4.071 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.731 11.296 -4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 46 10.620 12.534 -3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.079 11.369 -2.249 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.810 9.826 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 46 14.024 10.636 -3.700 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.977 10.715 -5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.319 12.764 -4.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.648 13.046 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.416 13.023 -3.268 1.00 0.00 H new ATOM 760 N TYR A 47 6.533 11.641 -2.347 1.00 0.00 N ATOM 761 CA TYR A 47 5.241 12.315 -2.670 1.00 0.00 C ATOM 762 C TYR A 47 4.562 12.762 -1.373 1.00 0.00 C ATOM 763 O TYR A 47 4.024 13.851 -1.286 1.00 0.00 O ATOM 764 CB TYR A 47 4.325 11.336 -3.408 1.00 0.00 C ATOM 765 CG TYR A 47 4.859 11.092 -4.800 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.994 10.293 -4.984 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.216 11.661 -5.905 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.488 10.065 -6.275 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.709 11.433 -7.196 1.00 0.00 C ATOM 770 CZ TYR A 47 5.845 10.635 -7.381 1.00 0.00 C ATOM 771 OH TYR A 47 6.330 10.409 -8.653 1.00 0.00 O ATOM 0 H TYR A 47 6.452 10.663 -2.068 1.00 0.00 H new ATOM 0 HA TYR A 47 5.433 13.183 -3.301 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.265 10.395 -2.861 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.313 11.739 -3.461 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.489 9.853 -4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.340 12.276 -5.762 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.364 9.450 -6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 47 4.213 11.873 -8.049 1.00 0.00 H new ATOM 0 HH TYR A 47 5.584 10.217 -9.258 1.00 0.00 H new ATOM 781 N PHE A 48 4.582 11.926 -0.368 1.00 0.00 N ATOM 782 CA PHE A 48 3.940 12.284 0.929 1.00 0.00 C ATOM 783 C PHE A 48 4.940 13.029 1.813 1.00 0.00 C ATOM 784 O PHE A 48 6.074 13.254 1.431 1.00 0.00 O ATOM 785 CB PHE A 48 3.483 11.008 1.638 1.00 0.00 C ATOM 786 CG PHE A 48 2.281 10.440 0.922 1.00 0.00 C ATOM 787 CD1 PHE A 48 1.065 11.134 0.937 1.00 0.00 C ATOM 788 CD2 PHE A 48 2.383 9.220 0.244 1.00 0.00 C ATOM 789 CE1 PHE A 48 -0.049 10.607 0.274 1.00 0.00 C ATOM 790 CE2 PHE A 48 1.269 8.693 -0.419 1.00 0.00 C ATOM 791 CZ PHE A 48 0.052 9.387 -0.404 1.00 0.00 C ATOM 0 H PHE A 48 5.019 11.005 -0.392 1.00 0.00 H new ATOM 0 HA PHE A 48 3.080 12.926 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.291 10.277 1.651 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.233 11.225 2.676 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.987 12.076 1.460 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.321 8.685 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -0.987 11.142 0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.347 7.751 -0.942 1.00 0.00 H new ATOM 0 HZ PHE A 48 -0.808 8.981 -0.916 1.00 0.00 H new ATOM 801 N LYS A 49 4.525 13.413 2.993 1.00 0.00 N ATOM 802 CA LYS A 49 5.437 14.151 3.915 1.00 0.00 C ATOM 803 C LYS A 49 6.031 13.180 4.942 1.00 0.00 C ATOM 804 O LYS A 49 7.225 12.952 4.969 1.00 0.00 O ATOM 805 CB LYS A 49 4.646 15.247 4.632 1.00 0.00 C ATOM 806 CG LYS A 49 4.014 16.175 3.590 1.00 0.00 C ATOM 807 CD LYS A 49 3.870 17.587 4.171 1.00 0.00 C ATOM 808 CE LYS A 49 4.157 18.631 3.084 1.00 0.00 C ATOM 809 NZ LYS A 49 3.032 19.608 3.023 1.00 0.00 N ATOM 0 H LYS A 49 3.588 13.245 3.359 1.00 0.00 H new ATOM 0 HA LYS A 49 6.249 14.602 3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.872 14.803 5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.303 15.814 5.291 1.00 0.00 H new ATOM 0 HG2 LYS A 49 4.631 16.203 2.692 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.037 15.792 3.294 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.863 17.727 4.565 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.560 17.719 5.005 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.091 19.149 3.300 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.280 18.141 2.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.226 20.316 2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 2.149 19.107 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.935 20.084 3.943 1.00 0.00 H new ATOM 823 N HIS A 50 5.207 12.605 5.781 1.00 0.00 N ATOM 824 CA HIS A 50 5.719 11.645 6.805 1.00 0.00 C ATOM 825 C HIS A 50 4.710 10.510 6.990 1.00 0.00 C ATOM 826 O HIS A 50 4.509 10.020 8.087 1.00 0.00 O ATOM 827 CB HIS A 50 5.917 12.370 8.139 1.00 0.00 C ATOM 828 CG HIS A 50 7.046 13.358 8.020 1.00 0.00 C ATOM 829 ND1 HIS A 50 8.290 13.007 7.520 1.00 0.00 N ATOM 830 CD2 HIS A 50 7.134 14.690 8.342 1.00 0.00 C ATOM 831 CE1 HIS A 50 9.066 14.107 7.555 1.00 0.00 C ATOM 832 NE2 HIS A 50 8.411 15.160 8.048 1.00 0.00 N ATOM 0 H HIS A 50 4.199 12.760 5.801 1.00 0.00 H new ATOM 0 HA HIS A 50 6.672 11.236 6.470 1.00 0.00 H new ATOM 0 HB2 HIS A 50 4.999 12.885 8.423 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.134 11.649 8.927 1.00 0.00 H new ATOM 0 HD2 HIS A 50 6.334 15.283 8.760 1.00 0.00 H new ATOM 0 HE1 HIS A 50 10.094 14.134 7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.769 16.106 8.181 1.00 0.00 H new ATOM 840 N SER A 51 4.072 10.091 5.927 1.00 0.00 N ATOM 841 CA SER A 51 3.072 8.989 6.031 1.00 0.00 C ATOM 842 C SER A 51 3.788 7.640 5.929 1.00 0.00 C ATOM 843 O SER A 51 4.872 7.545 5.384 1.00 0.00 O ATOM 844 CB SER A 51 2.056 9.115 4.895 1.00 0.00 C ATOM 845 OG SER A 51 0.808 8.583 5.321 1.00 0.00 O ATOM 0 H SER A 51 4.202 10.467 4.988 1.00 0.00 H new ATOM 0 HA SER A 51 2.556 9.055 6.989 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.940 10.160 4.609 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.410 8.581 4.013 1.00 0.00 H new ATOM 0 HG SER A 51 0.153 8.664 4.596 1.00 0.00 H new ATOM 851 N ASN A 52 3.191 6.597 6.451 1.00 0.00 N ATOM 852 CA ASN A 52 3.833 5.250 6.389 1.00 0.00 C ATOM 853 C ASN A 52 3.070 4.364 5.400 1.00 0.00 C ATOM 854 O ASN A 52 1.943 4.651 5.042 1.00 0.00 O ATOM 855 CB ASN A 52 3.805 4.609 7.783 1.00 0.00 C ATOM 856 CG ASN A 52 5.155 3.950 8.078 1.00 0.00 C ATOM 857 OD1 ASN A 52 5.540 3.005 7.420 1.00 0.00 O ATOM 858 ND2 ASN A 52 5.895 4.412 9.051 1.00 0.00 N ATOM 0 H ASN A 52 2.285 6.622 6.918 1.00 0.00 H new ATOM 0 HA ASN A 52 4.866 5.353 6.057 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.587 5.365 8.537 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.008 3.867 7.836 1.00 0.00 H new ATOM 0 HD21 ASN A 52 6.795 3.979 9.257 1.00 0.00 H new ATOM 0 HD22 ASN A 52 5.572 5.206 9.604 1.00 0.00 H new ATOM 865 N PHE A 53 3.676 3.288 4.958 1.00 0.00 N ATOM 866 CA PHE A 53 2.994 2.374 3.989 1.00 0.00 C ATOM 867 C PHE A 53 1.673 1.883 4.576 1.00 0.00 C ATOM 868 O PHE A 53 0.703 1.705 3.870 1.00 0.00 O ATOM 869 CB PHE A 53 3.886 1.167 3.709 1.00 0.00 C ATOM 870 CG PHE A 53 3.427 0.486 2.441 1.00 0.00 C ATOM 871 CD1 PHE A 53 3.713 1.056 1.194 1.00 0.00 C ATOM 872 CD2 PHE A 53 2.716 -0.719 2.511 1.00 0.00 C ATOM 873 CE1 PHE A 53 3.289 0.422 0.019 1.00 0.00 C ATOM 874 CE2 PHE A 53 2.293 -1.353 1.337 1.00 0.00 C ATOM 875 CZ PHE A 53 2.579 -0.782 0.092 1.00 0.00 C ATOM 0 H PHE A 53 4.617 3.003 5.228 1.00 0.00 H new ATOM 0 HA PHE A 53 2.804 2.920 3.065 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.924 1.484 3.609 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.845 0.469 4.545 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.261 1.985 1.138 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.494 -1.159 3.472 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.510 0.862 -0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.746 -2.283 1.392 1.00 0.00 H new ATOM 0 HZ PHE A 53 2.252 -1.271 -0.814 1.00 0.00 H new ATOM 885 N ALA A 54 1.633 1.657 5.864 1.00 0.00 N ATOM 886 CA ALA A 54 0.377 1.172 6.509 1.00 0.00 C ATOM 887 C ALA A 54 -0.735 2.204 6.306 1.00 0.00 C ATOM 888 O ALA A 54 -1.874 1.861 6.041 1.00 0.00 O ATOM 889 CB ALA A 54 0.616 0.966 8.007 1.00 0.00 C ATOM 0 H ALA A 54 2.420 1.788 6.499 1.00 0.00 H new ATOM 0 HA ALA A 54 0.081 0.226 6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.302 0.612 8.477 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.405 0.228 8.151 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.915 1.911 8.461 1.00 0.00 H new ATOM 895 N SER A 55 -0.408 3.466 6.419 1.00 0.00 N ATOM 896 CA SER A 55 -1.436 4.530 6.226 1.00 0.00 C ATOM 897 C SER A 55 -1.854 4.567 4.753 1.00 0.00 C ATOM 898 O SER A 55 -2.976 4.904 4.425 1.00 0.00 O ATOM 899 CB SER A 55 -0.849 5.884 6.627 1.00 0.00 C ATOM 900 OG SER A 55 -0.707 5.935 8.040 1.00 0.00 O ATOM 0 H SER A 55 0.529 3.805 6.637 1.00 0.00 H new ATOM 0 HA SER A 55 -2.306 4.316 6.846 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.119 6.030 6.147 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.499 6.690 6.286 1.00 0.00 H new ATOM 0 HG SER A 55 -0.329 6.801 8.300 1.00 0.00 H new ATOM 906 N PHE A 56 -0.955 4.220 3.868 1.00 0.00 N ATOM 907 CA PHE A 56 -1.281 4.226 2.413 1.00 0.00 C ATOM 908 C PHE A 56 -2.364 3.180 2.128 1.00 0.00 C ATOM 909 O PHE A 56 -3.386 3.481 1.542 1.00 0.00 O ATOM 910 CB PHE A 56 -0.008 3.892 1.619 1.00 0.00 C ATOM 911 CG PHE A 56 -0.302 3.890 0.137 1.00 0.00 C ATOM 912 CD1 PHE A 56 -0.873 5.014 -0.466 1.00 0.00 C ATOM 913 CD2 PHE A 56 0.000 2.759 -0.628 1.00 0.00 C ATOM 914 CE1 PHE A 56 -1.144 5.007 -1.840 1.00 0.00 C ATOM 915 CE2 PHE A 56 -0.271 2.751 -1.999 1.00 0.00 C ATOM 916 CZ PHE A 56 -0.841 3.874 -2.606 1.00 0.00 C ATOM 0 H PHE A 56 -0.003 3.931 4.094 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.650 5.208 2.116 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.770 4.622 1.842 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.373 2.917 1.923 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -1.105 5.887 0.127 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.442 1.892 -0.160 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -1.586 5.874 -2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.040 1.877 -2.590 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.048 3.868 -3.666 1.00 0.00 H new ATOM 926 N VAL A 57 -2.144 1.957 2.537 1.00 0.00 N ATOM 927 CA VAL A 57 -3.152 0.882 2.295 1.00 0.00 C ATOM 928 C VAL A 57 -4.444 1.212 3.049 1.00 0.00 C ATOM 929 O VAL A 57 -5.515 0.791 2.662 1.00 0.00 O ATOM 930 CB VAL A 57 -2.598 -0.464 2.784 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.580 -1.591 2.436 1.00 0.00 C ATOM 932 CG2 VAL A 57 -1.252 -0.733 2.102 1.00 0.00 C ATOM 0 H VAL A 57 -1.304 1.655 3.031 1.00 0.00 H new ATOM 0 HA VAL A 57 -3.363 0.818 1.228 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.464 -0.428 3.865 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.180 -2.543 2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.538 -1.400 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.720 -1.631 1.356 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.854 -1.688 2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.392 -0.766 1.022 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.551 0.063 2.353 1.00 0.00 H new ATOM 942 N ARG A 58 -4.352 1.966 4.119 1.00 0.00 N ATOM 943 CA ARG A 58 -5.579 2.328 4.891 1.00 0.00 C ATOM 944 C ARG A 58 -6.492 3.188 4.012 1.00 0.00 C ATOM 945 O ARG A 58 -7.669 2.915 3.872 1.00 0.00 O ATOM 946 CB ARG A 58 -5.182 3.116 6.144 1.00 0.00 C ATOM 947 CG ARG A 58 -6.250 2.936 7.237 1.00 0.00 C ATOM 948 CD ARG A 58 -7.032 4.241 7.438 1.00 0.00 C ATOM 949 NE ARG A 58 -8.435 4.056 6.971 1.00 0.00 N ATOM 950 CZ ARG A 58 -9.352 3.643 7.804 1.00 0.00 C ATOM 951 NH1 ARG A 58 -9.482 4.214 8.970 1.00 0.00 N ATOM 952 NH2 ARG A 58 -10.139 2.656 7.471 1.00 0.00 N ATOM 0 H ARG A 58 -3.480 2.345 4.489 1.00 0.00 H new ATOM 0 HA ARG A 58 -6.106 1.421 5.188 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -4.214 2.772 6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.073 4.173 5.900 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.933 2.134 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.776 2.640 8.173 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.022 4.525 8.490 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.557 5.051 6.885 1.00 0.00 H new ATOM 0 HE ARG A 58 -8.679 4.252 6.000 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.867 4.984 9.232 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -10.199 3.890 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -10.037 2.208 6.560 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -10.855 2.333 8.121 1.00 0.00 H new ATOM 966 N GLN A 59 -5.953 4.221 3.412 1.00 0.00 N ATOM 967 CA GLN A 59 -6.776 5.104 2.530 1.00 0.00 C ATOM 968 C GLN A 59 -7.280 4.303 1.325 1.00 0.00 C ATOM 969 O GLN A 59 -8.393 4.480 0.869 1.00 0.00 O ATOM 970 CB GLN A 59 -5.917 6.271 2.030 1.00 0.00 C ATOM 971 CG GLN A 59 -5.853 7.373 3.090 1.00 0.00 C ATOM 972 CD GLN A 59 -4.815 7.018 4.153 1.00 0.00 C ATOM 973 OE1 GLN A 59 -5.073 6.217 5.029 1.00 0.00 O ATOM 974 NE2 GLN A 59 -3.640 7.587 4.116 1.00 0.00 N ATOM 0 H GLN A 59 -4.973 4.491 3.496 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.625 5.486 3.097 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -4.911 5.919 1.800 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -6.335 6.670 1.105 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -5.596 8.324 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -6.831 7.500 3.554 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -3.422 8.260 3.381 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -2.940 7.359 4.822 1.00 0.00 H new ATOM 983 N LEU A 60 -6.454 3.438 0.803 1.00 0.00 N ATOM 984 CA LEU A 60 -6.844 2.623 -0.384 1.00 0.00 C ATOM 985 C LEU A 60 -8.050 1.733 -0.056 1.00 0.00 C ATOM 986 O LEU A 60 -8.890 1.481 -0.899 1.00 0.00 O ATOM 987 CB LEU A 60 -5.652 1.750 -0.786 1.00 0.00 C ATOM 988 CG LEU A 60 -4.558 2.632 -1.390 1.00 0.00 C ATOM 989 CD1 LEU A 60 -3.225 1.879 -1.382 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.933 2.992 -2.829 1.00 0.00 C ATOM 0 H LEU A 60 -5.513 3.259 1.153 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.123 3.286 -1.204 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.267 1.218 0.084 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.966 0.996 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.460 3.543 -0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.448 2.510 -1.813 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.958 1.623 -0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.319 0.966 -1.971 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.155 3.621 -3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.032 2.080 -3.418 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -5.880 3.532 -2.834 1.00 0.00 H new ATOM 1002 N ASN A 61 -8.138 1.253 1.156 1.00 0.00 N ATOM 1003 CA ASN A 61 -9.281 0.368 1.537 1.00 0.00 C ATOM 1004 C ASN A 61 -10.533 1.209 1.801 1.00 0.00 C ATOM 1005 O ASN A 61 -11.645 0.764 1.586 1.00 0.00 O ATOM 1006 CB ASN A 61 -8.913 -0.415 2.801 1.00 0.00 C ATOM 1007 CG ASN A 61 -9.448 -1.844 2.696 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -10.360 -2.217 3.406 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.914 -2.666 1.833 1.00 0.00 N ATOM 0 H ASN A 61 -7.466 1.435 1.902 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.487 -0.324 0.721 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.831 -0.430 2.929 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.331 0.076 3.680 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -9.263 -3.621 1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.148 -2.353 1.237 1.00 0.00 H new ATOM 1016 N MET A 62 -10.359 2.418 2.268 1.00 0.00 N ATOM 1017 CA MET A 62 -11.534 3.292 2.555 1.00 0.00 C ATOM 1018 C MET A 62 -12.115 3.846 1.248 1.00 0.00 C ATOM 1019 O MET A 62 -13.257 4.263 1.204 1.00 0.00 O ATOM 1020 CB MET A 62 -11.096 4.453 3.449 1.00 0.00 C ATOM 1021 CG MET A 62 -12.329 5.106 4.076 1.00 0.00 C ATOM 1022 SD MET A 62 -12.733 4.270 5.629 1.00 0.00 S ATOM 1023 CE MET A 62 -12.571 5.711 6.710 1.00 0.00 C ATOM 0 H MET A 62 -9.450 2.838 2.463 1.00 0.00 H new ATOM 0 HA MET A 62 -12.299 2.703 3.061 1.00 0.00 H new ATOM 0 HB2 MET A 62 -10.426 4.093 4.229 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.540 5.186 2.865 1.00 0.00 H new ATOM 0 HG2 MET A 62 -12.140 6.164 4.259 1.00 0.00 H new ATOM 0 HG3 MET A 62 -13.173 5.047 3.389 1.00 0.00 H new ATOM 0 HE1 MET A 62 -12.781 5.419 7.739 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.556 6.103 6.644 1.00 0.00 H new ATOM 0 HE3 MET A 62 -13.278 6.480 6.399 1.00 0.00 H new ATOM 1033 N TYR A 63 -11.340 3.866 0.189 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.852 4.406 -1.106 1.00 0.00 C ATOM 1035 C TYR A 63 -12.450 3.275 -1.952 1.00 0.00 C ATOM 1036 O TYR A 63 -13.458 3.458 -2.609 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.705 5.077 -1.865 1.00 0.00 C ATOM 1038 CG TYR A 63 -10.455 6.448 -1.280 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -11.478 7.404 -1.280 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -9.205 6.761 -0.734 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -11.250 8.674 -0.733 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.978 8.030 -0.185 1.00 0.00 C ATOM 1043 CZ TYR A 63 -10.001 8.986 -0.186 1.00 0.00 C ATOM 1044 OH TYR A 63 -9.777 10.237 0.354 1.00 0.00 O ATOM 0 H TYR A 63 -10.377 3.532 0.168 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.633 5.140 -0.905 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.803 4.469 -1.796 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.953 5.160 -2.923 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -12.443 7.163 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -8.415 6.024 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -12.039 9.412 -0.734 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -8.014 8.271 0.239 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.962 10.217 0.898 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.847 2.110 -1.939 1.00 0.00 N ATOM 1055 CA GLY A 64 -12.396 0.974 -2.744 1.00 0.00 C ATOM 1056 C GLY A 64 -11.286 -0.025 -3.083 1.00 0.00 C ATOM 1057 O GLY A 64 -11.541 -1.197 -3.286 1.00 0.00 O ATOM 0 H GLY A 64 -11.002 1.898 -1.408 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.187 0.473 -2.186 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.845 1.354 -3.662 1.00 0.00 H new ATOM 1061 N TRP A 65 -10.058 0.427 -3.149 1.00 0.00 N ATOM 1062 CA TRP A 65 -8.928 -0.496 -3.480 1.00 0.00 C ATOM 1063 C TRP A 65 -8.857 -1.622 -2.441 1.00 0.00 C ATOM 1064 O TRP A 65 -8.933 -1.384 -1.250 1.00 0.00 O ATOM 1065 CB TRP A 65 -7.615 0.288 -3.468 1.00 0.00 C ATOM 1066 CG TRP A 65 -7.561 1.198 -4.654 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.947 2.494 -4.654 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -7.095 0.909 -6.004 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.752 3.019 -5.918 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -7.229 2.081 -6.785 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.577 -0.243 -6.620 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.861 2.109 -8.130 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.206 -0.219 -7.975 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.347 0.956 -8.728 1.00 0.00 C ATOM 0 H TRP A 65 -9.789 1.397 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 65 -9.091 -0.927 -4.468 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.535 0.868 -2.549 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.769 -0.400 -3.486 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -8.343 3.031 -3.805 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.968 3.981 -6.178 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.463 -1.152 -6.048 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.973 3.016 -8.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.810 -1.110 -8.439 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.059 0.969 -9.769 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.713 -2.846 -2.887 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.639 -3.995 -1.935 1.00 0.00 C ATOM 1087 C HIS A 66 -7.354 -4.788 -2.192 1.00 0.00 C ATOM 1088 O HIS A 66 -6.769 -4.707 -3.256 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.852 -4.904 -2.145 1.00 0.00 C ATOM 1090 CG HIS A 66 -11.116 -4.111 -1.950 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.279 -3.226 -0.896 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -12.286 -4.059 -2.668 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.506 -2.682 -1.009 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -13.162 -3.155 -2.071 1.00 0.00 N ATOM 0 H HIS A 66 -8.643 -3.098 -3.873 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.635 -3.622 -0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.830 -5.331 -3.147 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.821 -5.737 -1.443 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -12.495 -4.632 -3.560 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -12.910 -1.952 -0.324 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -14.102 -2.908 -2.379 1.00 0.00 H new ATOM 1102 N LYS A 67 -6.909 -5.552 -1.222 1.00 0.00 N ATOM 1103 CA LYS A 67 -5.655 -6.353 -1.407 1.00 0.00 C ATOM 1104 C LYS A 67 -5.976 -7.842 -1.243 1.00 0.00 C ATOM 1105 O LYS A 67 -5.660 -8.449 -0.237 1.00 0.00 O ATOM 1106 CB LYS A 67 -4.549 -5.946 -0.396 1.00 0.00 C ATOM 1107 CG LYS A 67 -5.095 -5.073 0.752 1.00 0.00 C ATOM 1108 CD LYS A 67 -5.848 -5.948 1.765 1.00 0.00 C ATOM 1109 CE LYS A 67 -4.993 -6.137 3.021 1.00 0.00 C ATOM 1110 NZ LYS A 67 -5.878 -6.384 4.195 1.00 0.00 N ATOM 0 H LYS A 67 -7.358 -5.656 -0.312 1.00 0.00 H new ATOM 0 HA LYS A 67 -5.276 -6.153 -2.409 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -4.092 -6.844 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -3.763 -5.402 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.274 -4.554 1.247 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.762 -4.308 0.353 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.798 -5.482 2.027 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.079 -6.917 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.309 -6.975 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.381 -5.251 3.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.296 -6.512 5.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.513 -5.571 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.443 -7.241 4.029 1.00 0.00 H new ATOM 1124 N VAL A 68 -6.595 -8.433 -2.233 1.00 0.00 N ATOM 1125 CA VAL A 68 -6.941 -9.883 -2.154 1.00 0.00 C ATOM 1126 C VAL A 68 -5.661 -10.723 -2.259 1.00 0.00 C ATOM 1127 O VAL A 68 -4.703 -10.332 -2.900 1.00 0.00 O ATOM 1128 CB VAL A 68 -7.901 -10.234 -3.306 1.00 0.00 C ATOM 1129 CG1 VAL A 68 -7.231 -9.937 -4.658 1.00 0.00 C ATOM 1130 CG2 VAL A 68 -8.283 -11.720 -3.230 1.00 0.00 C ATOM 0 H VAL A 68 -6.877 -7.970 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.426 -10.098 -1.202 1.00 0.00 H new ATOM 0 HB VAL A 68 -8.802 -9.627 -3.215 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.917 -10.188 -5.467 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.977 -8.879 -4.713 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.324 -10.534 -4.753 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -8.962 -11.963 -4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -7.384 -12.331 -3.311 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -8.774 -11.921 -2.278 1.00 0.00 H new ATOM 1140 N GLN A 69 -5.647 -11.874 -1.636 1.00 0.00 N ATOM 1141 CA GLN A 69 -4.442 -12.751 -1.694 1.00 0.00 C ATOM 1142 C GLN A 69 -4.888 -14.207 -1.835 1.00 0.00 C ATOM 1143 O GLN A 69 -5.142 -14.885 -0.857 1.00 0.00 O ATOM 1144 CB GLN A 69 -3.632 -12.587 -0.407 1.00 0.00 C ATOM 1145 CG GLN A 69 -2.776 -11.323 -0.500 1.00 0.00 C ATOM 1146 CD GLN A 69 -1.503 -11.512 0.324 1.00 0.00 C ATOM 1147 OE1 GLN A 69 -0.439 -11.734 -0.220 1.00 0.00 O ATOM 1148 NE2 GLN A 69 -1.566 -11.435 1.625 1.00 0.00 N ATOM 0 H GLN A 69 -6.423 -12.244 -1.087 1.00 0.00 H new ATOM 0 HA GLN A 69 -3.824 -12.473 -2.548 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -4.301 -12.523 0.451 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -2.996 -13.459 -0.251 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.522 -11.118 -1.540 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -3.336 -10.463 -0.133 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.459 -11.249 2.082 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -0.723 -11.561 2.185 1.00 0.00 H new ATOM 1157 N ASP A 70 -4.992 -14.689 -3.047 1.00 0.00 N ATOM 1158 CA ASP A 70 -5.432 -16.099 -3.265 1.00 0.00 C ATOM 1159 C ASP A 70 -4.291 -17.060 -2.918 1.00 0.00 C ATOM 1160 O ASP A 70 -4.299 -17.691 -1.877 1.00 0.00 O ATOM 1161 CB ASP A 70 -5.836 -16.284 -4.731 1.00 0.00 C ATOM 1162 CG ASP A 70 -7.287 -15.838 -4.921 1.00 0.00 C ATOM 1163 OD1 ASP A 70 -7.596 -14.721 -4.544 1.00 0.00 O ATOM 1164 OD2 ASP A 70 -8.064 -16.623 -5.440 1.00 0.00 O ATOM 0 H ASP A 70 -4.790 -14.164 -3.898 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.285 -16.315 -2.622 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.178 -15.702 -5.377 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -5.725 -17.329 -5.021 1.00 0.00 H new ATOM 1169 N VAL A 71 -3.317 -17.184 -3.785 1.00 0.00 N ATOM 1170 CA VAL A 71 -2.175 -18.115 -3.511 1.00 0.00 C ATOM 1171 C VAL A 71 -0.887 -17.297 -3.374 1.00 0.00 C ATOM 1172 O VAL A 71 -0.893 -16.087 -3.512 1.00 0.00 O ATOM 1173 CB VAL A 71 -2.009 -19.132 -4.663 1.00 0.00 C ATOM 1174 CG1 VAL A 71 -1.409 -20.429 -4.111 1.00 0.00 C ATOM 1175 CG2 VAL A 71 -3.366 -19.451 -5.314 1.00 0.00 C ATOM 0 H VAL A 71 -3.262 -16.682 -4.671 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.379 -18.661 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.351 -18.696 -5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.291 -21.149 -4.921 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.436 -20.219 -3.667 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.073 -20.843 -3.352 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.222 -20.169 -6.122 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -4.037 -19.875 -4.567 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.801 -18.536 -5.715 1.00 0.00 H new ATOM 1185 N LYS A 72 0.216 -17.948 -3.101 1.00 0.00 N ATOM 1186 CA LYS A 72 1.509 -17.220 -2.953 1.00 0.00 C ATOM 1187 C LYS A 72 2.485 -17.692 -4.031 1.00 0.00 C ATOM 1188 O LYS A 72 2.959 -16.914 -4.838 1.00 0.00 O ATOM 1189 CB LYS A 72 2.098 -17.513 -1.573 1.00 0.00 C ATOM 1190 CG LYS A 72 3.109 -16.426 -1.207 1.00 0.00 C ATOM 1191 CD LYS A 72 3.803 -16.801 0.106 1.00 0.00 C ATOM 1192 CE LYS A 72 4.666 -18.051 -0.099 1.00 0.00 C ATOM 1193 NZ LYS A 72 6.043 -17.786 0.405 1.00 0.00 N ATOM 0 H LYS A 72 0.274 -18.958 -2.974 1.00 0.00 H new ATOM 0 HA LYS A 72 1.339 -16.149 -3.060 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.304 -17.551 -0.828 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.582 -18.490 -1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.846 -16.316 -2.003 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.605 -15.465 -1.104 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.423 -15.973 0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.059 -16.985 0.881 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.230 -18.899 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.698 -18.316 -1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 6.632 -18.632 0.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.456 -16.988 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.003 -17.553 1.418 1.00 0.00 H new ATOM 1207 N SER A 73 2.788 -18.966 -4.048 1.00 0.00 N ATOM 1208 CA SER A 73 3.733 -19.506 -5.069 1.00 0.00 C ATOM 1209 C SER A 73 2.948 -19.937 -6.312 1.00 0.00 C ATOM 1210 O SER A 73 2.914 -21.101 -6.668 1.00 0.00 O ATOM 1211 CB SER A 73 4.481 -20.707 -4.484 1.00 0.00 C ATOM 1212 OG SER A 73 5.747 -20.826 -5.118 1.00 0.00 O ATOM 0 H SER A 73 2.419 -19.657 -3.395 1.00 0.00 H new ATOM 0 HA SER A 73 4.452 -18.736 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.610 -20.581 -3.409 1.00 0.00 H new ATOM 0 HB3 SER A 73 3.901 -21.618 -4.631 1.00 0.00 H new ATOM 0 HG SER A 73 6.229 -21.593 -4.745 1.00 0.00 H new ATOM 1218 N GLY A 74 2.313 -19.002 -6.972 1.00 0.00 N ATOM 1219 CA GLY A 74 1.525 -19.343 -8.193 1.00 0.00 C ATOM 1220 C GLY A 74 2.440 -19.319 -9.418 1.00 0.00 C ATOM 1221 O GLY A 74 2.731 -20.343 -10.007 1.00 0.00 O ATOM 0 H GLY A 74 2.307 -18.015 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.074 -20.329 -8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.709 -18.632 -8.322 1.00 0.00 H new ATOM 1225 N SER A 75 2.892 -18.154 -9.803 1.00 0.00 N ATOM 1226 CA SER A 75 3.790 -18.044 -10.992 1.00 0.00 C ATOM 1227 C SER A 75 5.218 -18.489 -10.637 1.00 0.00 C ATOM 1228 O SER A 75 6.043 -18.645 -11.515 1.00 0.00 O ATOM 1229 CB SER A 75 3.817 -16.592 -11.467 1.00 0.00 C ATOM 1230 OG SER A 75 4.771 -16.455 -12.511 1.00 0.00 O ATOM 0 H SER A 75 2.677 -17.269 -9.343 1.00 0.00 H new ATOM 0 HA SER A 75 3.409 -18.692 -11.782 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.830 -16.295 -11.820 1.00 0.00 H new ATOM 0 HB3 SER A 75 4.071 -15.931 -10.638 1.00 0.00 H new ATOM 0 HG SER A 75 5.368 -17.232 -12.513 1.00 0.00 H new ATOM 1236 N MET A 76 5.511 -18.689 -9.359 1.00 0.00 N ATOM 1237 CA MET A 76 6.882 -19.122 -8.902 1.00 0.00 C ATOM 1238 C MET A 76 7.795 -17.899 -8.740 1.00 0.00 C ATOM 1239 O MET A 76 8.439 -17.738 -7.719 1.00 0.00 O ATOM 1240 CB MET A 76 7.523 -20.123 -9.879 1.00 0.00 C ATOM 1241 CG MET A 76 8.429 -21.080 -9.104 1.00 0.00 C ATOM 1242 SD MET A 76 9.978 -20.242 -8.689 1.00 0.00 S ATOM 1243 CE MET A 76 10.921 -20.775 -10.138 1.00 0.00 C ATOM 0 H MET A 76 4.840 -18.566 -8.601 1.00 0.00 H new ATOM 0 HA MET A 76 6.763 -19.622 -7.941 1.00 0.00 H new ATOM 0 HB2 MET A 76 6.749 -20.683 -10.404 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.100 -19.591 -10.636 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.929 -21.415 -8.195 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.633 -21.969 -9.701 1.00 0.00 H new ATOM 0 HE1 MET A 76 11.929 -20.364 -10.087 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.973 -21.864 -10.158 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.429 -20.419 -11.043 1.00 0.00 H new ATOM 1253 N LEU A 77 7.856 -17.034 -9.725 1.00 0.00 N ATOM 1254 CA LEU A 77 8.727 -15.825 -9.614 1.00 0.00 C ATOM 1255 C LEU A 77 8.242 -14.956 -8.451 1.00 0.00 C ATOM 1256 O LEU A 77 7.249 -14.260 -8.558 1.00 0.00 O ATOM 1257 CB LEU A 77 8.661 -15.020 -10.918 1.00 0.00 C ATOM 1258 CG LEU A 77 9.745 -15.516 -11.895 1.00 0.00 C ATOM 1259 CD1 LEU A 77 9.086 -16.079 -13.158 1.00 0.00 C ATOM 1260 CD2 LEU A 77 10.662 -14.353 -12.285 1.00 0.00 C ATOM 0 H LEU A 77 7.339 -17.115 -10.601 1.00 0.00 H new ATOM 0 HA LEU A 77 9.757 -16.134 -9.434 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.675 -15.125 -11.371 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.805 -13.960 -10.709 1.00 0.00 H new ATOM 0 HG LEU A 77 10.330 -16.296 -11.408 1.00 0.00 H new ATOM 0 HD11 LEU A 77 9.856 -16.428 -13.846 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.435 -16.911 -12.889 1.00 0.00 H new ATOM 0 HD13 LEU A 77 8.497 -15.299 -13.640 1.00 0.00 H new ATOM 0 HD21 LEU A 77 11.427 -14.708 -12.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 10.074 -13.571 -12.766 1.00 0.00 H new ATOM 0 HD23 LEU A 77 11.139 -13.950 -11.391 1.00 0.00 H new ATOM 1272 N SER A 78 8.935 -14.996 -7.343 1.00 0.00 N ATOM 1273 CA SER A 78 8.523 -14.181 -6.162 1.00 0.00 C ATOM 1274 C SER A 78 9.726 -13.968 -5.240 1.00 0.00 C ATOM 1275 O SER A 78 9.995 -12.865 -4.803 1.00 0.00 O ATOM 1276 CB SER A 78 7.421 -14.915 -5.398 1.00 0.00 C ATOM 1277 OG SER A 78 7.749 -16.296 -5.312 1.00 0.00 O ATOM 0 H SER A 78 9.773 -15.561 -7.205 1.00 0.00 H new ATOM 0 HA SER A 78 8.151 -13.214 -6.501 1.00 0.00 H new ATOM 0 HB2 SER A 78 7.312 -14.492 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.464 -14.787 -5.905 1.00 0.00 H new ATOM 0 HG SER A 78 7.816 -16.673 -6.214 1.00 0.00 H new ATOM 1283 N ASN A 79 10.449 -15.019 -4.940 1.00 0.00 N ATOM 1284 CA ASN A 79 11.640 -14.892 -4.044 1.00 0.00 C ATOM 1285 C ASN A 79 11.196 -14.370 -2.673 1.00 0.00 C ATOM 1286 O ASN A 79 11.138 -13.177 -2.445 1.00 0.00 O ATOM 1287 CB ASN A 79 12.650 -13.918 -4.665 1.00 0.00 C ATOM 1288 CG ASN A 79 14.071 -14.444 -4.451 1.00 0.00 C ATOM 1289 OD1 ASN A 79 14.321 -15.625 -4.586 1.00 0.00 O ATOM 1290 ND2 ASN A 79 15.020 -13.610 -4.123 1.00 0.00 N ATOM 0 H ASN A 79 10.264 -15.963 -5.279 1.00 0.00 H new ATOM 0 HA ASN A 79 12.109 -15.869 -3.924 1.00 0.00 H new ATOM 0 HB2 ASN A 79 12.451 -13.803 -5.730 1.00 0.00 H new ATOM 0 HB3 ASN A 79 12.545 -12.932 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 79 15.971 -13.950 -3.980 1.00 0.00 H new ATOM 0 HD22 ASN A 79 14.811 -12.618 -4.010 1.00 0.00 H new ATOM 1297 N ASN A 80 10.876 -15.259 -1.765 1.00 0.00 N ATOM 1298 CA ASN A 80 10.428 -14.831 -0.403 1.00 0.00 C ATOM 1299 C ASN A 80 9.197 -13.927 -0.521 1.00 0.00 C ATOM 1300 O ASN A 80 8.822 -13.514 -1.602 1.00 0.00 O ATOM 1301 CB ASN A 80 11.558 -14.066 0.293 1.00 0.00 C ATOM 1302 CG ASN A 80 12.622 -15.055 0.772 1.00 0.00 C ATOM 1303 OD1 ASN A 80 13.300 -15.669 -0.028 1.00 0.00 O ATOM 1304 ND2 ASN A 80 12.799 -15.237 2.052 1.00 0.00 N ATOM 0 H ASN A 80 10.906 -16.268 -1.910 1.00 0.00 H new ATOM 0 HA ASN A 80 10.171 -15.714 0.183 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.000 -13.344 -0.394 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.163 -13.502 1.138 1.00 0.00 H new ATOM 0 HD21 ASN A 80 13.506 -15.894 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 80 12.230 -14.722 2.724 1.00 0.00 H new ATOM 1311 N ASP A 81 8.573 -13.616 0.586 1.00 0.00 N ATOM 1312 CA ASP A 81 7.369 -12.736 0.549 1.00 0.00 C ATOM 1313 C ASP A 81 7.820 -11.274 0.498 1.00 0.00 C ATOM 1314 O ASP A 81 8.052 -10.653 1.519 1.00 0.00 O ATOM 1315 CB ASP A 81 6.526 -12.973 1.805 1.00 0.00 C ATOM 1316 CG ASP A 81 5.040 -12.866 1.454 1.00 0.00 C ATOM 1317 OD1 ASP A 81 4.641 -13.462 0.467 1.00 0.00 O ATOM 1318 OD2 ASP A 81 4.328 -12.190 2.178 1.00 0.00 O ATOM 0 H ASP A 81 8.847 -13.935 1.515 1.00 0.00 H new ATOM 0 HA ASP A 81 6.770 -12.964 -0.333 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.742 -13.958 2.220 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.783 -12.241 2.571 1.00 0.00 H new ATOM 1323 N SER A 82 7.953 -10.726 -0.683 1.00 0.00 N ATOM 1324 CA SER A 82 8.394 -9.305 -0.810 1.00 0.00 C ATOM 1325 C SER A 82 7.671 -8.645 -1.986 1.00 0.00 C ATOM 1326 O SER A 82 8.184 -7.730 -2.604 1.00 0.00 O ATOM 1327 CB SER A 82 9.902 -9.258 -1.055 1.00 0.00 C ATOM 1328 OG SER A 82 10.513 -10.387 -0.444 1.00 0.00 O ATOM 0 H SER A 82 7.775 -11.203 -1.567 1.00 0.00 H new ATOM 0 HA SER A 82 8.155 -8.771 0.110 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.108 -9.253 -2.125 1.00 0.00 H new ATOM 0 HB3 SER A 82 10.320 -8.338 -0.646 1.00 0.00 H new ATOM 0 HG SER A 82 11.480 -10.360 -0.601 1.00 0.00 H new ATOM 1334 N ARG A 83 6.483 -9.098 -2.295 1.00 0.00 N ATOM 1335 CA ARG A 83 5.721 -8.497 -3.427 1.00 0.00 C ATOM 1336 C ARG A 83 4.263 -8.293 -3.003 1.00 0.00 C ATOM 1337 O ARG A 83 3.698 -9.103 -2.293 1.00 0.00 O ATOM 1338 CB ARG A 83 5.789 -9.426 -4.647 1.00 0.00 C ATOM 1339 CG ARG A 83 5.180 -10.798 -4.310 1.00 0.00 C ATOM 1340 CD ARG A 83 3.972 -11.065 -5.212 1.00 0.00 C ATOM 1341 NE ARG A 83 3.009 -11.956 -4.505 1.00 0.00 N ATOM 1342 CZ ARG A 83 2.382 -12.893 -5.165 1.00 0.00 C ATOM 1343 NH1 ARG A 83 3.057 -13.736 -5.898 1.00 0.00 N ATOM 1344 NH2 ARG A 83 1.082 -12.985 -5.094 1.00 0.00 N ATOM 0 H ARG A 83 6.008 -9.860 -1.810 1.00 0.00 H new ATOM 0 HA ARG A 83 6.157 -7.534 -3.692 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.252 -8.978 -5.484 1.00 0.00 H new ATOM 0 HB3 ARG A 83 6.825 -9.548 -4.962 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.927 -11.581 -4.445 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.877 -10.824 -3.263 1.00 0.00 H new ATOM 0 HD2 ARG A 83 3.487 -10.125 -5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 83 4.296 -11.529 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 83 2.840 -11.834 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 83 4.073 -13.663 -5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.569 -14.468 -6.414 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.554 -12.325 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 83 0.594 -13.717 -5.610 1.00 0.00 H new ATOM 1358 N TRP A 84 3.658 -7.216 -3.431 1.00 0.00 N ATOM 1359 CA TRP A 84 2.239 -6.951 -3.055 1.00 0.00 C ATOM 1360 C TRP A 84 1.387 -6.831 -4.320 1.00 0.00 C ATOM 1361 O TRP A 84 1.888 -6.551 -5.392 1.00 0.00 O ATOM 1362 CB TRP A 84 2.159 -5.645 -2.261 1.00 0.00 C ATOM 1363 CG TRP A 84 2.862 -5.810 -0.950 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.169 -6.130 -0.804 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.323 -5.670 0.397 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.468 -6.190 0.546 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.362 -5.918 1.326 1.00 0.00 C ATOM 1368 CE3 TRP A 84 1.047 -5.356 0.899 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 3.143 -5.855 2.702 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.823 -5.292 2.284 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.869 -5.541 3.183 1.00 0.00 C ATOM 0 H TRP A 84 4.087 -6.507 -4.026 1.00 0.00 H new ATOM 0 HA TRP A 84 1.866 -7.773 -2.444 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.614 -4.834 -2.829 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.117 -5.372 -2.094 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.865 -6.309 -1.610 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.392 -6.408 0.919 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.234 -5.163 0.215 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.952 -6.048 3.391 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.161 -5.050 2.658 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.691 -5.490 4.247 1.00 0.00 H new ATOM 1382 N GLU A 85 0.103 -7.040 -4.197 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.798 -6.939 -5.382 1.00 0.00 C ATOM 1384 C GLU A 85 -2.016 -6.091 -5.014 1.00 0.00 C ATOM 1385 O GLU A 85 -2.574 -6.230 -3.943 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.252 -8.339 -5.799 1.00 0.00 C ATOM 1387 CG GLU A 85 -1.971 -8.265 -7.148 1.00 0.00 C ATOM 1388 CD GLU A 85 -2.069 -9.667 -7.751 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -2.273 -10.602 -6.994 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.939 -9.781 -8.958 1.00 0.00 O ATOM 0 H GLU A 85 -0.363 -7.278 -3.321 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.266 -6.473 -6.211 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -0.392 -9.005 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.917 -8.757 -5.043 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.968 -7.843 -7.018 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.430 -7.603 -7.825 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.426 -5.210 -5.891 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.603 -4.344 -5.592 1.00 0.00 C ATOM 1399 C PHE A 86 -4.660 -4.507 -6.686 1.00 0.00 C ATOM 1400 O PHE A 86 -4.445 -4.141 -7.828 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.155 -2.882 -5.528 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.392 -2.642 -4.248 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.121 -3.204 -4.073 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -2.953 -1.855 -3.234 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.413 -2.981 -2.886 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -2.245 -1.632 -2.047 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.975 -2.194 -1.873 1.00 0.00 C ATOM 0 H PHE A 86 -1.995 -5.054 -6.802 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.032 -4.638 -4.634 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.527 -2.645 -6.387 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.022 -2.223 -5.576 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.687 -3.810 -4.854 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.932 -1.420 -3.368 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.566 -3.416 -2.752 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.679 -1.026 -1.265 1.00 0.00 H new ATOM 0 HZ PHE A 86 -0.429 -2.021 -0.958 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.803 -5.046 -6.341 1.00 0.00 N ATOM 1418 CA GLU A 87 -6.887 -5.229 -7.348 1.00 0.00 C ATOM 1419 C GLU A 87 -8.053 -4.301 -7.004 1.00 0.00 C ATOM 1420 O GLU A 87 -8.042 -3.632 -5.988 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.365 -6.684 -7.329 1.00 0.00 C ATOM 1422 CG GLU A 87 -7.747 -7.117 -8.748 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.375 -8.586 -8.952 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.182 -9.434 -8.609 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -6.290 -8.838 -9.450 1.00 0.00 O ATOM 0 H GLU A 87 -6.030 -5.368 -5.400 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.509 -4.989 -8.342 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.579 -7.331 -6.940 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.222 -6.787 -6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -8.816 -6.976 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -7.232 -6.495 -9.480 1.00 0.00 H new ATOM 1432 N ASN A 88 -9.056 -4.256 -7.843 1.00 0.00 N ATOM 1433 CA ASN A 88 -10.227 -3.370 -7.571 1.00 0.00 C ATOM 1434 C ASN A 88 -11.516 -4.099 -7.948 1.00 0.00 C ATOM 1435 O ASN A 88 -11.545 -4.889 -8.873 1.00 0.00 O ATOM 1436 CB ASN A 88 -10.100 -2.091 -8.403 1.00 0.00 C ATOM 1437 CG ASN A 88 -10.797 -0.929 -7.686 1.00 0.00 C ATOM 1438 OD1 ASN A 88 -11.137 -1.027 -6.522 1.00 0.00 O ATOM 1439 ND2 ASN A 88 -11.022 0.179 -8.338 1.00 0.00 N ATOM 0 H ASN A 88 -9.114 -4.796 -8.706 1.00 0.00 H new ATOM 0 HA ASN A 88 -10.253 -3.114 -6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -9.048 -1.853 -8.561 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -10.544 -2.241 -9.387 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.482 0.961 -7.872 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -10.738 0.263 -9.314 1.00 0.00 H new ATOM 1446 N GLU A 89 -12.583 -3.835 -7.238 1.00 0.00 N ATOM 1447 CA GLU A 89 -13.879 -4.506 -7.548 1.00 0.00 C ATOM 1448 C GLU A 89 -14.738 -3.568 -8.404 1.00 0.00 C ATOM 1449 O GLU A 89 -15.166 -3.921 -9.486 1.00 0.00 O ATOM 1450 CB GLU A 89 -14.612 -4.833 -6.236 1.00 0.00 C ATOM 1451 CG GLU A 89 -14.992 -6.320 -6.202 1.00 0.00 C ATOM 1452 CD GLU A 89 -14.015 -7.084 -5.303 1.00 0.00 C ATOM 1453 OE1 GLU A 89 -12.854 -6.713 -5.273 1.00 0.00 O ATOM 1454 OE2 GLU A 89 -14.448 -8.027 -4.660 1.00 0.00 O ATOM 0 H GLU A 89 -12.611 -3.182 -6.455 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.696 -5.431 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -13.975 -4.593 -5.385 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.508 -4.218 -6.148 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -16.010 -6.436 -5.830 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -14.972 -6.733 -7.210 1.00 0.00 H new ATOM 1461 N ARG A 90 -14.986 -2.375 -7.924 1.00 0.00 N ATOM 1462 CA ARG A 90 -15.816 -1.398 -8.697 1.00 0.00 C ATOM 1463 C ARG A 90 -17.228 -1.957 -8.880 1.00 0.00 C ATOM 1464 O ARG A 90 -17.441 -3.153 -8.841 1.00 0.00 O ATOM 1465 CB ARG A 90 -15.185 -1.149 -10.072 1.00 0.00 C ATOM 1466 CG ARG A 90 -15.583 0.241 -10.577 1.00 0.00 C ATOM 1467 CD ARG A 90 -14.892 1.322 -9.737 1.00 0.00 C ATOM 1468 NE ARG A 90 -13.893 2.041 -10.579 1.00 0.00 N ATOM 1469 CZ ARG A 90 -14.108 3.280 -10.933 1.00 0.00 C ATOM 1470 NH1 ARG A 90 -15.181 3.591 -11.607 1.00 0.00 N ATOM 1471 NH2 ARG A 90 -13.247 4.208 -10.614 1.00 0.00 N ATOM 0 H ARG A 90 -14.647 -2.033 -7.025 1.00 0.00 H new ATOM 0 HA ARG A 90 -15.863 -0.458 -8.148 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -14.100 -1.225 -10.004 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -15.515 -1.911 -10.778 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -15.304 0.350 -11.625 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -16.665 0.361 -10.521 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -15.630 2.024 -9.350 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -14.400 0.870 -8.876 1.00 0.00 H new ATOM 0 HE ARG A 90 -13.042 1.565 -10.879 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -15.853 2.866 -11.858 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -15.347 4.559 -11.883 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -12.407 3.965 -10.089 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -13.414 5.176 -10.890 1.00 0.00 H new ATOM 1485 N HIS A 91 -18.193 -1.094 -9.078 1.00 0.00 N ATOM 1486 CA HIS A 91 -19.596 -1.561 -9.265 1.00 0.00 C ATOM 1487 C HIS A 91 -20.231 -0.807 -10.438 1.00 0.00 C ATOM 1488 O HIS A 91 -20.381 0.400 -10.400 1.00 0.00 O ATOM 1489 CB HIS A 91 -20.399 -1.292 -7.990 1.00 0.00 C ATOM 1490 CG HIS A 91 -21.411 -2.387 -7.791 1.00 0.00 C ATOM 1491 ND1 HIS A 91 -21.308 -3.311 -6.763 1.00 0.00 N ATOM 1492 CD2 HIS A 91 -22.549 -2.720 -8.483 1.00 0.00 C ATOM 1493 CE1 HIS A 91 -22.356 -4.149 -6.866 1.00 0.00 C ATOM 1494 NE2 HIS A 91 -23.144 -3.833 -7.896 1.00 0.00 N ATOM 0 H HIS A 91 -18.066 -0.083 -9.118 1.00 0.00 H new ATOM 0 HA HIS A 91 -19.598 -2.631 -9.475 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -19.730 -1.241 -7.131 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -20.901 -0.327 -8.061 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -22.925 -2.198 -9.350 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -22.537 -4.977 -6.196 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -23.999 -4.306 -8.190 1.00 0.00 H new ATOM 1502 N ALA A 92 -20.599 -1.512 -11.478 1.00 0.00 N ATOM 1503 CA ALA A 92 -21.225 -0.852 -12.666 1.00 0.00 C ATOM 1504 C ALA A 92 -20.262 0.186 -13.248 1.00 0.00 C ATOM 1505 O ALA A 92 -20.259 1.304 -12.759 1.00 0.00 O ATOM 1506 CB ALA A 92 -22.528 -0.163 -12.249 1.00 0.00 C ATOM 1507 OXT ALA A 92 -19.544 -0.155 -14.174 1.00 0.00 O ATOM 0 H ALA A 92 -20.492 -2.523 -11.556 1.00 0.00 H new ATOM 0 HA ALA A 92 -21.442 -1.608 -13.421 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -22.980 0.316 -13.117 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -23.217 -0.903 -11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.315 0.589 -11.489 1.00 0.00 H new TER 1513 ALA A 92