USER MOD reduce.3.24.130724 H: found=0, std=0, add=833, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 830 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 45 LYS NZ :NH3+ -176:sc= -0.565 (180deg=0) USER MOD Set 1.2: A 49 ASN : amide:sc= -0.865 K(o=-1.4,f=-0.66) USER MOD Set 2.1: A 8 TYR OH : rot -1:sc= -0.0217 USER MOD Set 2.2: A 40 TYR OH : rot -20:sc= -2.11! USER MOD Set 3.1: A 6 TYR OH : rot 68:sc= -0.745! USER MOD Set 3.2: A 37 TYR OH : rot 96:sc= 1.07 USER MOD Single : A 1 GLU N :NH3+ 180:sc= -0.161 (180deg=-0.161) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 LYS NZ :NH3+ -126:sc= 0.279 (180deg=-0.873) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -3.29 K(o=-3.3,f=-2.5) USER MOD Single : A 14 GLN : amide:sc= -0.503 X(o=-0.5,f=-0.24) USER MOD Single : A 17 SER OG : rot 0:sc= -0.905! USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.357 K(o=-0.36,f=-0.91) USER MOD Single : A 23 GLN : amide:sc= -0.0363 X(o=-0.036,f=-0.059) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -44:sc= 0.775 USER MOD Single : A 30 TYR OH : rot -83:sc= 1.22 USER MOD Single : A 32 HIS : no HE2:sc= -12.8! C(o=-13!,f=-11!) USER MOD Single : A 34 THR OG1 : rot -74:sc= -0.92 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc=-0.00915 USER MOD Single : A 48 GLN : amide:sc= -5.47! C(o=-5.5!,f=-4.6!) USER MOD Single : A 50 SER OG : rot 133:sc= -2.69! USER MOD Single : A 53 HIS : no HD1:sc= -0.246 X(o=-0.25,f=-0.054) USER MOD Single : A 54 ASN : amide:sc= -8.13! K(o=-8.1!,f=-4.2) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -2.2 K(o=-2.2,f=-8.4!) USER MOD Single : A 60 TYR OH : rot -30:sc= -0.321 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 26:sc= 0.115 USER MOD Single : A 68 GLN : amide:sc= -1.85! K(o=-1.8!,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= -0.803 USER MOD Single : A 83 SER OG : rot -170:sc= -0.483 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.012) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 18.965 8.848 -6.797 1.00 0.00 N ATOM 2 CA GLU A 1 19.877 9.454 -5.785 1.00 0.00 C ATOM 3 C GLU A 1 19.064 10.304 -4.805 1.00 0.00 C ATOM 4 O GLU A 1 19.601 10.899 -3.893 1.00 0.00 O ATOM 5 CB GLU A 1 20.909 10.336 -6.492 1.00 0.00 C ATOM 6 CG GLU A 1 21.760 11.061 -5.448 1.00 0.00 C ATOM 7 CD GLU A 1 23.159 11.314 -6.014 1.00 0.00 C ATOM 8 OE1 GLU A 1 23.584 10.541 -6.857 1.00 0.00 O ATOM 9 OE2 GLU A 1 23.781 12.275 -5.594 1.00 0.00 O ATOM 0 H1 GLU A 1 19.519 8.271 -7.462 1.00 0.00 H new ATOM 0 H2 GLU A 1 18.264 8.247 -6.317 1.00 0.00 H new ATOM 0 H3 GLU A 1 18.475 9.603 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 1 20.389 8.662 -5.238 1.00 0.00 H new ATOM 0 HB2 GLU A 1 21.544 9.727 -7.135 1.00 0.00 H new ATOM 0 HB3 GLU A 1 20.406 11.060 -7.133 1.00 0.00 H new ATOM 0 HG2 GLU A 1 21.291 12.006 -5.174 1.00 0.00 H new ATOM 0 HG3 GLU A 1 21.827 10.463 -4.539 1.00 0.00 H new ATOM 18 N SER A 2 17.773 10.364 -4.985 1.00 0.00 N ATOM 19 CA SER A 2 16.927 11.173 -4.063 1.00 0.00 C ATOM 20 C SER A 2 15.814 10.290 -3.499 1.00 0.00 C ATOM 21 O SER A 2 15.807 9.951 -2.333 1.00 0.00 O ATOM 22 CB SER A 2 16.310 12.344 -4.828 1.00 0.00 C ATOM 23 OG SER A 2 15.262 12.912 -4.053 1.00 0.00 O ATOM 0 H SER A 2 17.267 9.887 -5.731 1.00 0.00 H new ATOM 0 HA SER A 2 17.540 11.558 -3.248 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.070 13.096 -5.039 1.00 0.00 H new ATOM 0 HB3 SER A 2 15.924 12.003 -5.788 1.00 0.00 H new ATOM 0 HG SER A 2 14.866 13.664 -4.540 1.00 0.00 H new ATOM 29 N LYS A 3 14.876 9.909 -4.320 1.00 0.00 N ATOM 30 CA LYS A 3 13.771 9.044 -3.829 1.00 0.00 C ATOM 31 C LYS A 3 13.101 8.343 -5.008 1.00 0.00 C ATOM 32 O LYS A 3 12.025 8.725 -5.397 1.00 0.00 O ATOM 33 CB LYS A 3 12.728 9.900 -3.101 1.00 0.00 C ATOM 34 CG LYS A 3 11.507 9.043 -2.739 1.00 0.00 C ATOM 35 CD LYS A 3 11.940 7.880 -1.846 1.00 0.00 C ATOM 36 CE LYS A 3 11.774 6.564 -2.608 1.00 0.00 C ATOM 37 NZ LYS A 3 12.972 5.705 -2.387 1.00 0.00 N ATOM 0 H LYS A 3 14.828 10.159 -5.308 1.00 0.00 H new ATOM 0 HA LYS A 3 14.181 8.301 -3.144 1.00 0.00 H new ATOM 0 HB2 LYS A 3 13.163 10.328 -2.198 1.00 0.00 H new ATOM 0 HB3 LYS A 3 12.423 10.733 -3.734 1.00 0.00 H new ATOM 0 HG2 LYS A 3 10.763 9.652 -2.225 1.00 0.00 H new ATOM 0 HG3 LYS A 3 11.036 8.662 -3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 3 12.979 8.008 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 3 11.341 7.864 -0.936 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.876 6.047 -2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.647 6.762 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 13.369 5.420 -3.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 13.687 6.237 -1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 12.697 4.857 -1.851 1.00 0.00 H new ATOM 51 N PRO A 4 13.759 7.334 -5.532 1.00 0.00 N ATOM 52 CA PRO A 4 13.243 6.524 -6.654 1.00 0.00 C ATOM 53 C PRO A 4 12.408 5.360 -6.095 1.00 0.00 C ATOM 54 O PRO A 4 12.961 4.370 -5.661 1.00 0.00 O ATOM 55 CB PRO A 4 14.519 5.979 -7.300 1.00 0.00 C ATOM 56 CG PRO A 4 15.612 6.003 -6.199 1.00 0.00 C ATOM 57 CD PRO A 4 15.102 6.931 -5.077 1.00 0.00 C ATOM 0 HA PRO A 4 12.611 7.081 -7.346 1.00 0.00 H new ATOM 0 HB2 PRO A 4 14.364 4.966 -7.671 1.00 0.00 H new ATOM 0 HB3 PRO A 4 14.814 6.590 -8.153 1.00 0.00 H new ATOM 0 HG2 PRO A 4 15.795 4.999 -5.816 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.557 6.368 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 4 15.060 6.413 -4.119 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.755 7.794 -4.945 1.00 0.00 H new ATOM 65 N PRO A 5 11.109 5.519 -6.085 1.00 0.00 N ATOM 66 CA PRO A 5 10.190 4.509 -5.547 1.00 0.00 C ATOM 67 C PRO A 5 9.749 3.536 -6.631 1.00 0.00 C ATOM 68 O PRO A 5 10.180 3.603 -7.765 1.00 0.00 O ATOM 69 CB PRO A 5 8.990 5.341 -5.096 1.00 0.00 C ATOM 70 CG PRO A 5 9.040 6.659 -5.917 1.00 0.00 C ATOM 71 CD PRO A 5 10.421 6.711 -6.599 1.00 0.00 C ATOM 0 HA PRO A 5 10.643 3.911 -4.756 1.00 0.00 H new ATOM 0 HB2 PRO A 5 8.057 4.807 -5.275 1.00 0.00 H new ATOM 0 HB3 PRO A 5 9.039 5.547 -4.027 1.00 0.00 H new ATOM 0 HG2 PRO A 5 8.242 6.682 -6.659 1.00 0.00 H new ATOM 0 HG3 PRO A 5 8.897 7.523 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.332 6.685 -7.685 1.00 0.00 H new ATOM 0 HD3 PRO A 5 10.959 7.624 -6.345 1.00 0.00 H new ATOM 79 N TYR A 6 8.859 2.656 -6.288 1.00 0.00 N ATOM 80 CA TYR A 6 8.337 1.693 -7.280 1.00 0.00 C ATOM 81 C TYR A 6 7.293 2.406 -8.126 1.00 0.00 C ATOM 82 O TYR A 6 6.618 3.303 -7.659 1.00 0.00 O ATOM 83 CB TYR A 6 7.704 0.526 -6.535 1.00 0.00 C ATOM 84 CG TYR A 6 8.641 0.091 -5.442 1.00 0.00 C ATOM 85 CD1 TYR A 6 10.006 -0.040 -5.714 1.00 0.00 C ATOM 86 CD2 TYR A 6 8.148 -0.186 -4.165 1.00 0.00 C ATOM 87 CE1 TYR A 6 10.881 -0.455 -4.706 1.00 0.00 C ATOM 88 CE2 TYR A 6 9.024 -0.598 -3.154 1.00 0.00 C ATOM 89 CZ TYR A 6 10.391 -0.734 -3.426 1.00 0.00 C ATOM 90 OH TYR A 6 11.252 -1.150 -2.435 1.00 0.00 O ATOM 0 H TYR A 6 8.468 2.564 -5.351 1.00 0.00 H new ATOM 0 HA TYR A 6 9.133 1.317 -7.923 1.00 0.00 H new ATOM 0 HB2 TYR A 6 6.743 0.822 -6.114 1.00 0.00 H new ATOM 0 HB3 TYR A 6 7.511 -0.300 -7.219 1.00 0.00 H new ATOM 0 HD1 TYR A 6 10.384 0.179 -6.702 1.00 0.00 H new ATOM 0 HD2 TYR A 6 7.093 -0.083 -3.958 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.935 -0.560 -4.916 1.00 0.00 H new ATOM 0 HE2 TYR A 6 8.646 -0.811 -2.165 1.00 0.00 H new ATOM 0 HH TYR A 6 11.850 -0.413 -2.191 1.00 0.00 H new ATOM 100 N SER A 7 7.149 2.032 -9.364 1.00 0.00 N ATOM 101 CA SER A 7 6.139 2.715 -10.211 1.00 0.00 C ATOM 102 C SER A 7 4.838 2.785 -9.421 1.00 0.00 C ATOM 103 O SER A 7 4.688 2.125 -8.420 1.00 0.00 O ATOM 104 CB SER A 7 5.925 1.912 -11.492 1.00 0.00 C ATOM 105 OG SER A 7 6.822 2.375 -12.493 1.00 0.00 O ATOM 0 H SER A 7 7.681 1.291 -9.821 1.00 0.00 H new ATOM 0 HA SER A 7 6.474 3.718 -10.478 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.090 0.852 -11.302 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.895 2.018 -11.833 1.00 0.00 H new ATOM 0 HG SER A 7 6.688 1.860 -13.316 1.00 0.00 H new ATOM 111 N TYR A 8 3.901 3.581 -9.832 1.00 0.00 N ATOM 112 CA TYR A 8 2.639 3.664 -9.051 1.00 0.00 C ATOM 113 C TYR A 8 1.707 2.513 -9.447 1.00 0.00 C ATOM 114 O TYR A 8 0.544 2.491 -9.096 1.00 0.00 O ATOM 115 CB TYR A 8 1.973 5.013 -9.300 1.00 0.00 C ATOM 116 CG TYR A 8 2.911 6.112 -8.849 1.00 0.00 C ATOM 117 CD1 TYR A 8 3.673 5.950 -7.682 1.00 0.00 C ATOM 118 CD2 TYR A 8 3.023 7.289 -9.598 1.00 0.00 C ATOM 119 CE1 TYR A 8 4.543 6.966 -7.268 1.00 0.00 C ATOM 120 CE2 TYR A 8 3.894 8.303 -9.183 1.00 0.00 C ATOM 121 CZ TYR A 8 4.654 8.141 -8.019 1.00 0.00 C ATOM 122 OH TYR A 8 5.513 9.141 -7.610 1.00 0.00 O ATOM 0 H TYR A 8 3.949 4.171 -10.662 1.00 0.00 H new ATOM 0 HA TYR A 8 2.859 3.576 -7.987 1.00 0.00 H new ATOM 0 HB2 TYR A 8 1.738 5.128 -10.358 1.00 0.00 H new ATOM 0 HB3 TYR A 8 1.031 5.075 -8.756 1.00 0.00 H new ATOM 0 HD1 TYR A 8 3.589 5.042 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 8 2.437 7.415 -10.497 1.00 0.00 H new ATOM 0 HE1 TYR A 8 5.128 6.843 -6.369 1.00 0.00 H new ATOM 0 HE2 TYR A 8 3.980 9.211 -9.761 1.00 0.00 H new ATOM 0 HH TYR A 8 5.951 8.875 -6.775 1.00 0.00 H new ATOM 132 N ALA A 9 2.222 1.543 -10.157 1.00 0.00 N ATOM 133 CA ALA A 9 1.392 0.375 -10.559 1.00 0.00 C ATOM 134 C ALA A 9 1.985 -0.884 -9.915 1.00 0.00 C ATOM 135 O ALA A 9 1.280 -1.787 -9.521 1.00 0.00 O ATOM 136 CB ALA A 9 1.409 0.231 -12.081 1.00 0.00 C ATOM 0 H ALA A 9 3.190 1.512 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 9 0.362 0.515 -10.230 1.00 0.00 H new ATOM 0 HB1 ALA A 9 0.800 -0.625 -12.372 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.005 1.135 -12.537 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.434 0.080 -12.421 1.00 0.00 H new ATOM 142 N GLN A 10 3.282 -0.922 -9.780 1.00 0.00 N ATOM 143 CA GLN A 10 3.956 -2.087 -9.134 1.00 0.00 C ATOM 144 C GLN A 10 4.078 -1.763 -7.655 1.00 0.00 C ATOM 145 O GLN A 10 3.997 -2.619 -6.796 1.00 0.00 O ATOM 146 CB GLN A 10 5.349 -2.282 -9.741 1.00 0.00 C ATOM 147 CG GLN A 10 6.220 -1.068 -9.427 1.00 0.00 C ATOM 148 CD GLN A 10 7.586 -1.236 -10.097 1.00 0.00 C ATOM 149 OE1 GLN A 10 7.675 -1.308 -11.307 1.00 0.00 O ATOM 150 NE2 GLN A 10 8.663 -1.303 -9.361 1.00 0.00 N ATOM 0 H GLN A 10 3.913 -0.185 -10.094 1.00 0.00 H new ATOM 0 HA GLN A 10 3.387 -3.004 -9.287 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.808 -3.185 -9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.271 -2.417 -10.820 1.00 0.00 H new ATOM 0 HG2 GLN A 10 5.737 -0.158 -9.783 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.342 -0.963 -8.349 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.591 -1.243 -8.345 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.576 -1.415 -9.802 1.00 0.00 H new ATOM 159 N LEU A 11 4.245 -0.508 -7.366 1.00 0.00 N ATOM 160 CA LEU A 11 4.347 -0.059 -5.960 1.00 0.00 C ATOM 161 C LEU A 11 3.114 -0.565 -5.225 1.00 0.00 C ATOM 162 O LEU A 11 3.189 -1.073 -4.124 1.00 0.00 O ATOM 163 CB LEU A 11 4.378 1.467 -5.943 1.00 0.00 C ATOM 164 CG LEU A 11 4.448 1.973 -4.512 1.00 0.00 C ATOM 165 CD1 LEU A 11 5.886 2.368 -4.200 1.00 0.00 C ATOM 166 CD2 LEU A 11 3.549 3.196 -4.375 1.00 0.00 C ATOM 0 H LEU A 11 4.316 0.237 -8.059 1.00 0.00 H new ATOM 0 HA LEU A 11 5.249 -0.441 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.239 1.827 -6.507 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.488 1.862 -6.433 1.00 0.00 H new ATOM 0 HG LEU A 11 4.120 1.196 -3.822 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.949 2.733 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.535 1.500 -4.317 1.00 0.00 H new ATOM 0 HD13 LEU A 11 6.204 3.154 -4.885 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.592 3.567 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.888 3.975 -5.058 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.522 2.922 -4.618 1.00 0.00 H new ATOM 178 N ILE A 12 1.977 -0.452 -5.852 1.00 0.00 N ATOM 179 CA ILE A 12 0.726 -0.952 -5.218 1.00 0.00 C ATOM 180 C ILE A 12 0.837 -2.462 -5.048 1.00 0.00 C ATOM 181 O ILE A 12 0.484 -3.013 -4.033 1.00 0.00 O ATOM 182 CB ILE A 12 -0.471 -0.662 -6.112 1.00 0.00 C ATOM 183 CG1 ILE A 12 -0.423 0.799 -6.616 1.00 0.00 C ATOM 184 CG2 ILE A 12 -1.737 -0.942 -5.305 1.00 0.00 C ATOM 185 CD1 ILE A 12 -1.473 1.668 -5.915 1.00 0.00 C ATOM 0 H ILE A 12 1.860 -0.035 -6.776 1.00 0.00 H new ATOM 0 HA ILE A 12 0.591 -0.456 -4.257 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.458 -1.301 -6.995 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.570 1.213 -6.441 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -0.592 0.820 -7.693 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -2.613 -0.742 -5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.745 -1.986 -4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -1.758 -0.298 -4.426 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.412 2.689 -6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -2.467 1.267 -6.112 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.288 1.667 -4.841 1.00 0.00 H new ATOM 197 N VAL A 13 1.316 -3.133 -6.051 1.00 0.00 N ATOM 198 CA VAL A 13 1.446 -4.614 -5.977 1.00 0.00 C ATOM 199 C VAL A 13 2.153 -5.020 -4.685 1.00 0.00 C ATOM 200 O VAL A 13 1.607 -5.733 -3.872 1.00 0.00 O ATOM 201 CB VAL A 13 2.272 -5.094 -7.163 1.00 0.00 C ATOM 202 CG1 VAL A 13 2.343 -6.618 -7.145 1.00 0.00 C ATOM 203 CG2 VAL A 13 1.615 -4.618 -8.457 1.00 0.00 C ATOM 0 H VAL A 13 1.627 -2.717 -6.929 1.00 0.00 H new ATOM 0 HA VAL A 13 0.453 -5.062 -5.996 1.00 0.00 H new ATOM 0 HB VAL A 13 3.282 -4.688 -7.101 1.00 0.00 H new ATOM 0 HG11 VAL A 13 2.934 -6.965 -7.993 1.00 0.00 H new ATOM 0 HG12 VAL A 13 2.810 -6.950 -6.218 1.00 0.00 H new ATOM 0 HG13 VAL A 13 1.336 -7.030 -7.212 1.00 0.00 H new ATOM 0 HG21 VAL A 13 2.202 -4.959 -9.310 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.606 -5.026 -8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 13 1.567 -3.529 -8.461 1.00 0.00 H new ATOM 213 N GLN A 14 3.358 -4.581 -4.473 1.00 0.00 N ATOM 214 CA GLN A 14 4.049 -4.971 -3.215 1.00 0.00 C ATOM 215 C GLN A 14 3.176 -4.541 -2.039 1.00 0.00 C ATOM 216 O GLN A 14 3.230 -5.108 -0.966 1.00 0.00 O ATOM 217 CB GLN A 14 5.405 -4.274 -3.126 1.00 0.00 C ATOM 218 CG GLN A 14 6.103 -4.700 -1.834 1.00 0.00 C ATOM 219 CD GLN A 14 7.346 -3.839 -1.622 1.00 0.00 C ATOM 220 OE1 GLN A 14 7.743 -3.588 -0.502 1.00 0.00 O ATOM 221 NE2 GLN A 14 7.982 -3.374 -2.660 1.00 0.00 N ATOM 0 H GLN A 14 3.888 -3.979 -5.103 1.00 0.00 H new ATOM 0 HA GLN A 14 4.209 -6.049 -3.197 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.019 -4.534 -3.988 1.00 0.00 H new ATOM 0 HB3 GLN A 14 5.273 -3.192 -3.143 1.00 0.00 H new ATOM 0 HG2 GLN A 14 5.424 -4.592 -0.988 1.00 0.00 H new ATOM 0 HG3 GLN A 14 6.381 -5.753 -1.888 1.00 0.00 H new ATOM 0 HE21 GLN A 14 7.647 -3.586 -3.600 1.00 0.00 H new ATOM 0 HE22 GLN A 14 8.814 -2.798 -2.532 1.00 0.00 H new ATOM 230 N ALA A 15 2.367 -3.540 -2.244 1.00 0.00 N ATOM 231 CA ALA A 15 1.477 -3.057 -1.156 1.00 0.00 C ATOM 232 C ALA A 15 0.388 -4.097 -0.870 1.00 0.00 C ATOM 233 O ALA A 15 0.447 -4.828 0.099 1.00 0.00 O ATOM 234 CB ALA A 15 0.816 -1.748 -1.597 1.00 0.00 C ATOM 0 H ALA A 15 2.285 -3.033 -3.125 1.00 0.00 H new ATOM 0 HA ALA A 15 2.066 -2.896 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.161 -1.386 -0.805 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.585 -1.003 -1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.231 -1.922 -2.500 1.00 0.00 H new ATOM 240 N ILE A 16 -0.612 -4.149 -1.706 1.00 0.00 N ATOM 241 CA ILE A 16 -1.728 -5.124 -1.493 1.00 0.00 C ATOM 242 C ILE A 16 -1.230 -6.551 -1.727 1.00 0.00 C ATOM 243 O ILE A 16 -1.480 -7.441 -0.938 1.00 0.00 O ATOM 244 CB ILE A 16 -2.913 -4.844 -2.441 1.00 0.00 C ATOM 245 CG1 ILE A 16 -2.519 -3.923 -3.601 1.00 0.00 C ATOM 246 CG2 ILE A 16 -4.024 -4.166 -1.660 1.00 0.00 C ATOM 247 CD1 ILE A 16 -3.772 -3.571 -4.404 1.00 0.00 C ATOM 0 H ILE A 16 -0.708 -3.558 -2.532 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.071 -5.011 -0.465 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.237 -5.800 -2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -2.049 -3.016 -3.219 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -1.787 -4.416 -4.241 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.865 -3.965 -2.324 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.349 -4.818 -0.849 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.657 -3.227 -1.245 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -3.501 -2.916 -5.232 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.222 -4.484 -4.796 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.487 -3.063 -3.758 1.00 0.00 H new ATOM 259 N SER A 17 -0.543 -6.783 -2.806 1.00 0.00 N ATOM 260 CA SER A 17 -0.042 -8.160 -3.090 1.00 0.00 C ATOM 261 C SER A 17 0.776 -8.673 -1.901 1.00 0.00 C ATOM 262 O SER A 17 0.622 -9.799 -1.470 1.00 0.00 O ATOM 263 CB SER A 17 0.842 -8.136 -4.338 1.00 0.00 C ATOM 264 OG SER A 17 0.864 -9.432 -4.915 1.00 0.00 O ATOM 0 H SER A 17 -0.304 -6.081 -3.506 1.00 0.00 H new ATOM 0 HA SER A 17 -0.893 -8.821 -3.255 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.459 -7.411 -5.056 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.853 -7.823 -4.077 1.00 0.00 H new ATOM 0 HG SER A 17 0.308 -10.037 -4.381 1.00 0.00 H new ATOM 270 N SER A 18 1.652 -7.861 -1.371 1.00 0.00 N ATOM 271 CA SER A 18 2.482 -8.311 -0.217 1.00 0.00 C ATOM 272 C SER A 18 1.718 -8.088 1.091 1.00 0.00 C ATOM 273 O SER A 18 2.153 -8.494 2.150 1.00 0.00 O ATOM 274 CB SER A 18 3.785 -7.512 -0.185 1.00 0.00 C ATOM 275 OG SER A 18 4.858 -8.377 0.164 1.00 0.00 O ATOM 0 H SER A 18 1.828 -6.907 -1.687 1.00 0.00 H new ATOM 0 HA SER A 18 2.704 -9.372 -0.328 1.00 0.00 H new ATOM 0 HB2 SER A 18 3.971 -7.058 -1.158 1.00 0.00 H new ATOM 0 HB3 SER A 18 3.709 -6.699 0.537 1.00 0.00 H new ATOM 0 HG SER A 18 5.695 -7.868 0.184 1.00 0.00 H new ATOM 281 N ALA A 19 0.585 -7.447 1.028 1.00 0.00 N ATOM 282 CA ALA A 19 -0.199 -7.201 2.271 1.00 0.00 C ATOM 283 C ALA A 19 -0.773 -8.526 2.778 1.00 0.00 C ATOM 284 O ALA A 19 -0.444 -9.585 2.282 1.00 0.00 O ATOM 285 CB ALA A 19 -1.342 -6.230 1.969 1.00 0.00 C ATOM 0 H ALA A 19 0.168 -7.083 0.171 1.00 0.00 H new ATOM 0 HA ALA A 19 0.450 -6.770 3.033 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -1.916 -6.050 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.932 -5.288 1.606 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -1.993 -6.660 1.208 1.00 0.00 H new ATOM 291 N GLN A 20 -1.627 -8.476 3.763 1.00 0.00 N ATOM 292 CA GLN A 20 -2.221 -9.734 4.297 1.00 0.00 C ATOM 293 C GLN A 20 -2.630 -10.641 3.134 1.00 0.00 C ATOM 294 O GLN A 20 -1.841 -11.418 2.633 1.00 0.00 O ATOM 295 CB GLN A 20 -3.451 -9.406 5.149 1.00 0.00 C ATOM 296 CG GLN A 20 -4.138 -8.143 4.619 1.00 0.00 C ATOM 297 CD GLN A 20 -3.968 -7.010 5.631 1.00 0.00 C ATOM 298 OE1 GLN A 20 -4.067 -7.224 6.822 1.00 0.00 O ATOM 299 NE2 GLN A 20 -3.713 -5.803 5.205 1.00 0.00 N ATOM 0 H GLN A 20 -1.939 -7.619 4.221 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.483 -10.246 4.915 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.149 -10.243 5.132 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.155 -9.259 6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.707 -7.856 3.660 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -5.197 -8.336 4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.630 -5.622 4.205 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.597 -5.040 5.872 1.00 0.00 H new ATOM 308 N ASP A 21 -3.857 -10.549 2.697 1.00 0.00 N ATOM 309 CA ASP A 21 -4.308 -11.405 1.564 1.00 0.00 C ATOM 310 C ASP A 21 -3.926 -10.739 0.241 1.00 0.00 C ATOM 311 O ASP A 21 -3.016 -11.168 -0.440 1.00 0.00 O ATOM 312 CB ASP A 21 -5.829 -11.578 1.629 1.00 0.00 C ATOM 313 CG ASP A 21 -6.173 -13.068 1.678 1.00 0.00 C ATOM 314 OD1 ASP A 21 -5.761 -13.780 0.777 1.00 0.00 O ATOM 315 OD2 ASP A 21 -6.843 -13.470 2.614 1.00 0.00 O ATOM 0 H ASP A 21 -4.565 -9.919 3.075 1.00 0.00 H new ATOM 0 HA ASP A 21 -3.829 -12.382 1.632 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.225 -11.073 2.510 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.296 -11.115 0.760 1.00 0.00 H new ATOM 320 N ARG A 22 -4.612 -9.691 -0.127 1.00 0.00 N ATOM 321 CA ARG A 22 -4.287 -8.999 -1.405 1.00 0.00 C ATOM 322 C ARG A 22 -5.244 -7.821 -1.607 1.00 0.00 C ATOM 323 O ARG A 22 -5.661 -7.531 -2.712 1.00 0.00 O ATOM 324 CB ARG A 22 -4.439 -9.982 -2.567 1.00 0.00 C ATOM 325 CG ARG A 22 -5.825 -10.630 -2.506 1.00 0.00 C ATOM 326 CD ARG A 22 -6.023 -11.535 -3.724 1.00 0.00 C ATOM 327 NE ARG A 22 -5.498 -12.897 -3.423 1.00 0.00 N ATOM 328 CZ ARG A 22 -6.322 -13.901 -3.292 1.00 0.00 C ATOM 329 NH1 ARG A 22 -7.519 -13.706 -2.811 1.00 0.00 N ATOM 330 NH2 ARG A 22 -5.948 -15.100 -3.644 1.00 0.00 N ATOM 0 H ARG A 22 -5.383 -9.285 0.403 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.262 -8.631 -1.369 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.310 -9.463 -3.517 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.665 -10.747 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.926 -11.210 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.597 -9.860 -2.483 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -7.081 -11.590 -3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.506 -11.117 -4.588 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.494 -13.045 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -7.812 -12.768 -2.537 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -8.162 -14.491 -2.709 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.013 -15.252 -4.021 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.591 -15.885 -3.542 1.00 0.00 H new ATOM 344 N GLN A 23 -5.604 -7.144 -0.548 1.00 0.00 N ATOM 345 CA GLN A 23 -6.540 -5.994 -0.689 1.00 0.00 C ATOM 346 C GLN A 23 -6.253 -4.949 0.393 1.00 0.00 C ATOM 347 O GLN A 23 -6.209 -5.252 1.568 1.00 0.00 O ATOM 348 CB GLN A 23 -7.979 -6.491 -0.535 1.00 0.00 C ATOM 349 CG GLN A 23 -8.083 -7.376 0.710 1.00 0.00 C ATOM 350 CD GLN A 23 -9.553 -7.684 0.999 1.00 0.00 C ATOM 351 OE1 GLN A 23 -10.074 -8.685 0.550 1.00 0.00 O ATOM 352 NE2 GLN A 23 -10.248 -6.860 1.734 1.00 0.00 N ATOM 0 H GLN A 23 -5.291 -7.338 0.403 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.404 -5.542 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.660 -5.644 -0.450 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.278 -7.053 -1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.530 -8.303 0.557 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.631 -6.873 1.565 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -9.810 -6.019 2.111 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -11.229 -7.056 1.932 1.00 0.00 H new ATOM 361 N LEU A 24 -6.066 -3.716 0.001 1.00 0.00 N ATOM 362 CA LEU A 24 -5.796 -2.640 0.987 1.00 0.00 C ATOM 363 C LEU A 24 -6.807 -1.515 0.780 1.00 0.00 C ATOM 364 O LEU A 24 -7.422 -1.409 -0.261 1.00 0.00 O ATOM 365 CB LEU A 24 -4.392 -2.080 0.755 1.00 0.00 C ATOM 366 CG LEU A 24 -3.348 -3.122 1.152 1.00 0.00 C ATOM 367 CD1 LEU A 24 -2.000 -2.767 0.519 1.00 0.00 C ATOM 368 CD2 LEU A 24 -3.209 -3.134 2.673 1.00 0.00 C ATOM 0 H LEU A 24 -6.090 -3.410 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.874 -3.041 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.268 -1.808 -0.293 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.252 -1.170 1.339 1.00 0.00 H new ATOM 0 HG LEU A 24 -3.661 -4.106 0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.257 -3.512 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.101 -2.751 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -1.681 -1.785 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.465 -3.876 2.965 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -2.894 -2.149 3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.169 -3.386 3.124 1.00 0.00 H new ATOM 380 N THR A 25 -6.968 -0.656 1.745 1.00 0.00 N ATOM 381 CA THR A 25 -7.919 0.472 1.568 1.00 0.00 C ATOM 382 C THR A 25 -7.218 1.541 0.732 1.00 0.00 C ATOM 383 O THR A 25 -6.072 1.382 0.361 1.00 0.00 O ATOM 384 CB THR A 25 -8.299 1.048 2.936 1.00 0.00 C ATOM 385 OG1 THR A 25 -7.213 1.810 3.446 1.00 0.00 O ATOM 386 CG2 THR A 25 -8.621 -0.094 3.899 1.00 0.00 C ATOM 0 H THR A 25 -6.485 -0.686 2.643 1.00 0.00 H new ATOM 0 HA THR A 25 -8.828 0.134 1.071 1.00 0.00 H new ATOM 0 HB THR A 25 -9.174 1.689 2.831 1.00 0.00 H new ATOM 0 HG1 THR A 25 -7.455 2.180 4.320 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.891 0.316 4.872 1.00 0.00 H new ATOM 0 HG22 THR A 25 -9.454 -0.677 3.507 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.747 -0.737 4.006 1.00 0.00 H new ATOM 394 N LEU A 26 -7.871 2.625 0.427 1.00 0.00 N ATOM 395 CA LEU A 26 -7.186 3.669 -0.383 1.00 0.00 C ATOM 396 C LEU A 26 -5.996 4.197 0.419 1.00 0.00 C ATOM 397 O LEU A 26 -4.963 4.534 -0.124 1.00 0.00 O ATOM 398 CB LEU A 26 -8.149 4.816 -0.701 1.00 0.00 C ATOM 399 CG LEU A 26 -7.775 5.423 -2.055 1.00 0.00 C ATOM 400 CD1 LEU A 26 -9.037 5.928 -2.757 1.00 0.00 C ATOM 401 CD2 LEU A 26 -6.809 6.592 -1.841 1.00 0.00 C ATOM 0 H LEU A 26 -8.832 2.832 0.697 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.846 3.239 -1.325 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -9.175 4.450 -0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -8.099 5.576 0.079 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.296 4.663 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -8.769 6.360 -3.721 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -9.725 5.097 -2.911 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -9.517 6.687 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.542 7.025 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -7.288 7.351 -1.223 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.908 6.233 -1.343 1.00 0.00 H new ATOM 413 N SER A 27 -6.138 4.263 1.715 1.00 0.00 N ATOM 414 CA SER A 27 -5.023 4.757 2.571 1.00 0.00 C ATOM 415 C SER A 27 -4.277 3.567 3.176 1.00 0.00 C ATOM 416 O SER A 27 -3.649 3.674 4.210 1.00 0.00 O ATOM 417 CB SER A 27 -5.595 5.620 3.691 1.00 0.00 C ATOM 418 OG SER A 27 -4.530 6.204 4.428 1.00 0.00 O ATOM 0 H SER A 27 -6.983 3.995 2.220 1.00 0.00 H new ATOM 0 HA SER A 27 -4.333 5.347 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.234 6.399 3.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 -6.218 5.015 4.349 1.00 0.00 H new ATOM 0 HG SER A 27 -3.841 5.528 4.598 1.00 0.00 H new ATOM 424 N GLY A 28 -4.328 2.438 2.529 1.00 0.00 N ATOM 425 CA GLY A 28 -3.610 1.240 3.049 1.00 0.00 C ATOM 426 C GLY A 28 -2.332 1.099 2.244 1.00 0.00 C ATOM 427 O GLY A 28 -1.261 0.863 2.760 1.00 0.00 O ATOM 0 H GLY A 28 -4.838 2.291 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.386 1.356 4.109 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -4.228 0.348 2.949 1.00 0.00 H new ATOM 431 N ILE A 29 -2.468 1.269 0.967 1.00 0.00 N ATOM 432 CA ILE A 29 -1.315 1.188 0.050 1.00 0.00 C ATOM 433 C ILE A 29 -0.250 2.177 0.510 1.00 0.00 C ATOM 434 O ILE A 29 0.935 1.961 0.352 1.00 0.00 O ATOM 435 CB ILE A 29 -1.818 1.558 -1.338 1.00 0.00 C ATOM 436 CG1 ILE A 29 -0.778 1.151 -2.385 1.00 0.00 C ATOM 437 CG2 ILE A 29 -2.105 3.065 -1.393 1.00 0.00 C ATOM 438 CD1 ILE A 29 0.179 2.306 -2.645 1.00 0.00 C ATOM 0 H ILE A 29 -3.358 1.467 0.510 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.879 0.189 0.038 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.744 1.026 -1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.223 0.279 -2.039 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.276 0.865 -3.312 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.465 3.331 -2.387 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.864 3.318 -0.652 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.190 3.618 -1.179 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.915 2.007 -3.391 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.381 3.167 -3.012 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.688 2.572 -1.719 1.00 0.00 H new ATOM 450 N TYR A 30 -0.676 3.262 1.086 1.00 0.00 N ATOM 451 CA TYR A 30 0.295 4.285 1.573 1.00 0.00 C ATOM 452 C TYR A 30 0.948 3.806 2.869 1.00 0.00 C ATOM 453 O TYR A 30 2.155 3.796 2.996 1.00 0.00 O ATOM 454 CB TYR A 30 -0.436 5.603 1.822 1.00 0.00 C ATOM 455 CG TYR A 30 -1.259 5.921 0.607 1.00 0.00 C ATOM 456 CD1 TYR A 30 -0.709 5.738 -0.663 1.00 0.00 C ATOM 457 CD2 TYR A 30 -2.573 6.371 0.744 1.00 0.00 C ATOM 458 CE1 TYR A 30 -1.472 6.002 -1.800 1.00 0.00 C ATOM 459 CE2 TYR A 30 -3.339 6.641 -0.393 1.00 0.00 C ATOM 460 CZ TYR A 30 -2.790 6.454 -1.668 1.00 0.00 C ATOM 461 OH TYR A 30 -3.548 6.717 -2.790 1.00 0.00 O ATOM 0 H TYR A 30 -1.658 3.489 1.243 1.00 0.00 H new ATOM 0 HA TYR A 30 1.068 4.435 0.819 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -1.074 5.523 2.703 1.00 0.00 H new ATOM 0 HB3 TYR A 30 0.278 6.403 2.017 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.309 5.391 -0.765 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.997 6.510 1.727 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.046 5.858 -2.782 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -4.354 6.994 -0.289 1.00 0.00 H new ATOM 0 HH TYR A 30 -3.342 7.616 -3.121 1.00 0.00 H new ATOM 471 N ALA A 31 0.168 3.408 3.831 1.00 0.00 N ATOM 472 CA ALA A 31 0.762 2.931 5.110 1.00 0.00 C ATOM 473 C ALA A 31 1.585 1.670 4.839 1.00 0.00 C ATOM 474 O ALA A 31 2.398 1.261 5.643 1.00 0.00 O ATOM 475 CB ALA A 31 -0.356 2.606 6.102 1.00 0.00 C ATOM 0 H ALA A 31 -0.851 3.392 3.789 1.00 0.00 H new ATOM 0 HA ALA A 31 1.403 3.706 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.079 2.257 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -0.948 3.502 6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -0.996 1.828 5.687 1.00 0.00 H new ATOM 481 N HIS A 32 1.376 1.050 3.710 1.00 0.00 N ATOM 482 CA HIS A 32 2.139 -0.185 3.382 1.00 0.00 C ATOM 483 C HIS A 32 3.552 0.188 2.921 1.00 0.00 C ATOM 484 O HIS A 32 4.524 -0.043 3.611 1.00 0.00 O ATOM 485 CB HIS A 32 1.414 -0.939 2.265 1.00 0.00 C ATOM 486 CG HIS A 32 2.203 -2.166 1.905 1.00 0.00 C ATOM 487 ND1 HIS A 32 1.652 -3.438 1.935 1.00 0.00 N ATOM 488 CD2 HIS A 32 3.503 -2.331 1.494 1.00 0.00 C ATOM 489 CE1 HIS A 32 2.609 -4.304 1.553 1.00 0.00 C ATOM 490 NE2 HIS A 32 3.758 -3.681 1.273 1.00 0.00 N ATOM 0 H HIS A 32 0.708 1.347 2.999 1.00 0.00 H new ATOM 0 HA HIS A 32 2.209 -0.818 4.266 1.00 0.00 H new ATOM 0 HB2 HIS A 32 0.412 -1.219 2.590 1.00 0.00 H new ATOM 0 HB3 HIS A 32 1.299 -0.297 1.392 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.695 -3.674 2.199 1.00 0.00 H new ATOM 0 HD2 HIS A 32 4.219 -1.533 1.362 1.00 0.00 H new ATOM 0 HE1 HIS A 32 2.466 -5.372 1.481 1.00 0.00 H new ATOM 498 N ILE A 33 3.666 0.762 1.756 1.00 0.00 N ATOM 499 CA ILE A 33 5.006 1.159 1.233 1.00 0.00 C ATOM 500 C ILE A 33 5.714 2.052 2.251 1.00 0.00 C ATOM 501 O ILE A 33 6.897 1.926 2.483 1.00 0.00 O ATOM 502 CB ILE A 33 4.815 1.923 -0.079 1.00 0.00 C ATOM 503 CG1 ILE A 33 6.133 1.924 -0.864 1.00 0.00 C ATOM 504 CG2 ILE A 33 4.369 3.362 0.207 1.00 0.00 C ATOM 505 CD1 ILE A 33 7.063 3.023 -0.340 1.00 0.00 C ATOM 0 H ILE A 33 2.883 0.975 1.138 1.00 0.00 H new ATOM 0 HA ILE A 33 5.614 0.271 1.060 1.00 0.00 H new ATOM 0 HB ILE A 33 4.043 1.433 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.619 0.953 -0.773 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.933 2.082 -1.924 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.236 3.896 -0.734 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.426 3.349 0.753 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.128 3.866 0.806 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.994 3.012 -0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.580 3.993 -0.455 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.277 2.846 0.714 1.00 0.00 H new ATOM 517 N THR A 34 4.998 2.957 2.851 1.00 0.00 N ATOM 518 CA THR A 34 5.628 3.870 3.848 1.00 0.00 C ATOM 519 C THR A 34 6.251 3.049 4.980 1.00 0.00 C ATOM 520 O THR A 34 7.247 3.433 5.560 1.00 0.00 O ATOM 521 CB THR A 34 4.564 4.808 4.427 1.00 0.00 C ATOM 522 OG1 THR A 34 3.536 4.037 5.033 1.00 0.00 O ATOM 523 CG2 THR A 34 3.971 5.666 3.309 1.00 0.00 C ATOM 0 H THR A 34 4.001 3.107 2.696 1.00 0.00 H new ATOM 0 HA THR A 34 6.405 4.456 3.357 1.00 0.00 H new ATOM 0 HB THR A 34 5.020 5.458 5.174 1.00 0.00 H new ATOM 0 HG1 THR A 34 2.984 3.623 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.215 6.332 3.724 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.761 6.258 2.846 1.00 0.00 H new ATOM 0 HG23 THR A 34 3.514 5.021 2.559 1.00 0.00 H new ATOM 531 N LYS A 35 5.675 1.925 5.304 1.00 0.00 N ATOM 532 CA LYS A 35 6.242 1.089 6.401 1.00 0.00 C ATOM 533 C LYS A 35 7.588 0.506 5.961 1.00 0.00 C ATOM 534 O LYS A 35 8.532 0.457 6.724 1.00 0.00 O ATOM 535 CB LYS A 35 5.277 -0.054 6.727 1.00 0.00 C ATOM 536 CG LYS A 35 5.553 -0.568 8.141 1.00 0.00 C ATOM 537 CD LYS A 35 4.227 -0.808 8.867 1.00 0.00 C ATOM 538 CE LYS A 35 4.004 0.300 9.900 1.00 0.00 C ATOM 539 NZ LYS A 35 3.266 -0.253 11.071 1.00 0.00 N ATOM 0 H LYS A 35 4.838 1.549 4.858 1.00 0.00 H new ATOM 0 HA LYS A 35 6.386 1.708 7.286 1.00 0.00 H new ATOM 0 HB2 LYS A 35 4.247 0.293 6.649 1.00 0.00 H new ATOM 0 HB3 LYS A 35 5.397 -0.862 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.128 -1.493 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.155 0.155 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.405 -0.823 8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.240 -1.781 9.358 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.961 0.711 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.439 1.119 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.114 0.499 11.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.347 -0.625 10.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.821 -1.020 11.501 1.00 0.00 H new ATOM 553 N HIS A 36 7.681 0.060 4.739 1.00 0.00 N ATOM 554 CA HIS A 36 8.963 -0.525 4.253 1.00 0.00 C ATOM 555 C HIS A 36 9.834 0.568 3.630 1.00 0.00 C ATOM 556 O HIS A 36 10.957 0.326 3.232 1.00 0.00 O ATOM 557 CB HIS A 36 8.665 -1.595 3.199 1.00 0.00 C ATOM 558 CG HIS A 36 8.252 -2.872 3.878 1.00 0.00 C ATOM 559 ND1 HIS A 36 9.158 -3.880 4.168 1.00 0.00 N ATOM 560 CD2 HIS A 36 7.035 -3.320 4.326 1.00 0.00 C ATOM 561 CE1 HIS A 36 8.478 -4.876 4.764 1.00 0.00 C ATOM 562 NE2 HIS A 36 7.179 -4.586 4.886 1.00 0.00 N ATOM 0 H HIS A 36 6.924 0.075 4.055 1.00 0.00 H new ATOM 0 HA HIS A 36 9.494 -0.971 5.094 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.873 -1.253 2.533 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.547 -1.768 2.583 1.00 0.00 H new ATOM 0 HD2 HIS A 36 6.106 -2.773 4.255 1.00 0.00 H new ATOM 0 HE1 HIS A 36 8.927 -5.798 5.103 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.450 -5.167 5.300 1.00 0.00 H new ATOM 570 N TYR A 37 9.333 1.770 3.536 1.00 0.00 N ATOM 571 CA TYR A 37 10.140 2.865 2.932 1.00 0.00 C ATOM 572 C TYR A 37 10.178 4.062 3.892 1.00 0.00 C ATOM 573 O TYR A 37 9.144 4.562 4.290 1.00 0.00 O ATOM 574 CB TYR A 37 9.504 3.288 1.604 1.00 0.00 C ATOM 575 CG TYR A 37 10.261 2.658 0.466 1.00 0.00 C ATOM 576 CD1 TYR A 37 10.530 1.288 0.491 1.00 0.00 C ATOM 577 CD2 TYR A 37 10.688 3.438 -0.615 1.00 0.00 C ATOM 578 CE1 TYR A 37 11.229 0.691 -0.559 1.00 0.00 C ATOM 579 CE2 TYR A 37 11.388 2.843 -1.669 1.00 0.00 C ATOM 580 CZ TYR A 37 11.660 1.468 -1.643 1.00 0.00 C ATOM 581 OH TYR A 37 12.353 0.882 -2.682 1.00 0.00 O ATOM 0 H TYR A 37 8.401 2.039 3.851 1.00 0.00 H new ATOM 0 HA TYR A 37 11.157 2.516 2.753 1.00 0.00 H new ATOM 0 HB2 TYR A 37 8.459 2.981 1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 37 9.520 4.374 1.510 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.196 0.689 1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 37 10.477 4.497 -0.635 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.438 -0.368 -0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.719 3.443 -2.504 1.00 0.00 H new ATOM 0 HH TYR A 37 11.731 0.659 -3.405 1.00 0.00 H new ATOM 591 N PRO A 38 11.370 4.486 4.242 1.00 0.00 N ATOM 592 CA PRO A 38 11.569 5.622 5.162 1.00 0.00 C ATOM 593 C PRO A 38 11.335 6.953 4.441 1.00 0.00 C ATOM 594 O PRO A 38 10.598 7.799 4.907 1.00 0.00 O ATOM 595 CB PRO A 38 13.032 5.486 5.591 1.00 0.00 C ATOM 596 CG PRO A 38 13.733 4.656 4.491 1.00 0.00 C ATOM 597 CD PRO A 38 12.627 3.878 3.755 1.00 0.00 C ATOM 0 HA PRO A 38 10.877 5.612 6.005 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.499 6.465 5.696 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.109 4.991 6.559 1.00 0.00 H new ATOM 0 HG2 PRO A 38 14.275 5.304 3.802 1.00 0.00 H new ATOM 0 HG3 PRO A 38 14.463 3.973 4.927 1.00 0.00 H new ATOM 0 HD2 PRO A 38 12.724 3.975 2.674 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.669 2.813 3.984 1.00 0.00 H new ATOM 605 N TYR A 39 11.954 7.146 3.310 1.00 0.00 N ATOM 606 CA TYR A 39 11.759 8.424 2.569 1.00 0.00 C ATOM 607 C TYR A 39 10.279 8.586 2.228 1.00 0.00 C ATOM 608 O TYR A 39 9.714 9.653 2.364 1.00 0.00 O ATOM 609 CB TYR A 39 12.585 8.398 1.279 1.00 0.00 C ATOM 610 CG TYR A 39 12.455 9.722 0.561 1.00 0.00 C ATOM 611 CD1 TYR A 39 11.224 10.110 0.016 1.00 0.00 C ATOM 612 CD2 TYR A 39 13.568 10.563 0.438 1.00 0.00 C ATOM 613 CE1 TYR A 39 11.105 11.336 -0.648 1.00 0.00 C ATOM 614 CE2 TYR A 39 13.449 11.789 -0.226 1.00 0.00 C ATOM 615 CZ TYR A 39 12.217 12.176 -0.768 1.00 0.00 C ATOM 616 OH TYR A 39 12.101 13.385 -1.424 1.00 0.00 O ATOM 0 H TYR A 39 12.584 6.477 2.868 1.00 0.00 H new ATOM 0 HA TYR A 39 12.084 9.261 3.187 1.00 0.00 H new ATOM 0 HB2 TYR A 39 13.632 8.201 1.510 1.00 0.00 H new ATOM 0 HB3 TYR A 39 12.243 7.589 0.634 1.00 0.00 H new ATOM 0 HD1 TYR A 39 10.365 9.462 0.109 1.00 0.00 H new ATOM 0 HD2 TYR A 39 14.518 10.265 0.856 1.00 0.00 H new ATOM 0 HE1 TYR A 39 10.155 11.633 -1.068 1.00 0.00 H new ATOM 0 HE2 TYR A 39 14.308 12.437 -0.321 1.00 0.00 H new ATOM 0 HH TYR A 39 12.966 13.846 -1.417 1.00 0.00 H new ATOM 626 N TYR A 40 9.648 7.537 1.783 1.00 0.00 N ATOM 627 CA TYR A 40 8.206 7.631 1.429 1.00 0.00 C ATOM 628 C TYR A 40 7.360 7.628 2.704 1.00 0.00 C ATOM 629 O TYR A 40 6.954 6.592 3.191 1.00 0.00 O ATOM 630 CB TYR A 40 7.823 6.438 0.551 1.00 0.00 C ATOM 631 CG TYR A 40 7.622 6.913 -0.867 1.00 0.00 C ATOM 632 CD1 TYR A 40 8.550 7.786 -1.449 1.00 0.00 C ATOM 633 CD2 TYR A 40 6.506 6.489 -1.595 1.00 0.00 C ATOM 634 CE1 TYR A 40 8.359 8.235 -2.761 1.00 0.00 C ATOM 635 CE2 TYR A 40 6.316 6.936 -2.908 1.00 0.00 C ATOM 636 CZ TYR A 40 7.240 7.809 -3.491 1.00 0.00 C ATOM 637 OH TYR A 40 7.048 8.255 -4.784 1.00 0.00 O ATOM 0 H TYR A 40 10.069 6.618 1.649 1.00 0.00 H new ATOM 0 HA TYR A 40 8.024 8.557 0.884 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.605 5.679 0.586 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.911 5.973 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.412 8.112 -0.886 1.00 0.00 H new ATOM 0 HD2 TYR A 40 5.791 5.817 -1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 40 9.073 8.909 -3.211 1.00 0.00 H new ATOM 0 HE2 TYR A 40 5.455 6.606 -3.471 1.00 0.00 H new ATOM 0 HH TYR A 40 7.567 9.074 -4.928 1.00 0.00 H new ATOM 647 N ARG A 41 7.093 8.784 3.246 1.00 0.00 N ATOM 648 CA ARG A 41 6.275 8.859 4.489 1.00 0.00 C ATOM 649 C ARG A 41 5.473 10.162 4.487 1.00 0.00 C ATOM 650 O ARG A 41 4.259 10.158 4.516 1.00 0.00 O ATOM 651 CB ARG A 41 7.200 8.832 5.707 1.00 0.00 C ATOM 652 CG ARG A 41 6.380 8.569 6.971 1.00 0.00 C ATOM 653 CD ARG A 41 6.911 7.316 7.670 1.00 0.00 C ATOM 654 NE ARG A 41 6.491 7.325 9.100 1.00 0.00 N ATOM 655 CZ ARG A 41 7.386 7.207 10.043 1.00 0.00 C ATOM 656 NH1 ARG A 41 8.263 6.243 9.993 1.00 0.00 N ATOM 657 NH2 ARG A 41 7.401 8.053 11.037 1.00 0.00 N ATOM 0 H ARG A 41 7.407 9.683 2.880 1.00 0.00 H new ATOM 0 HA ARG A 41 5.593 8.010 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.956 8.056 5.584 1.00 0.00 H new ATOM 0 HB3 ARG A 41 7.728 9.781 5.796 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.440 9.426 7.642 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.329 8.438 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 41 6.531 6.422 7.175 1.00 0.00 H new ATOM 0 HD3 ARG A 41 7.998 7.281 7.600 1.00 0.00 H new ATOM 0 HE ARG A 41 5.505 7.423 9.342 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.250 5.581 9.217 1.00 0.00 H new ATOM 0 HH12 ARG A 41 8.962 6.151 10.730 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.714 8.806 11.077 1.00 0.00 H new ATOM 0 HH22 ARG A 41 8.100 7.961 11.774 1.00 0.00 H new ATOM 671 N THR A 42 6.148 11.278 4.448 1.00 0.00 N ATOM 672 CA THR A 42 5.435 12.586 4.440 1.00 0.00 C ATOM 673 C THR A 42 6.292 13.617 3.706 1.00 0.00 C ATOM 674 O THR A 42 6.345 14.773 4.077 1.00 0.00 O ATOM 675 CB THR A 42 5.200 13.048 5.880 1.00 0.00 C ATOM 676 OG1 THR A 42 5.774 12.108 6.777 1.00 0.00 O ATOM 677 CG2 THR A 42 3.697 13.157 6.144 1.00 0.00 C ATOM 0 H THR A 42 7.166 11.340 4.421 1.00 0.00 H new ATOM 0 HA THR A 42 4.475 12.479 3.935 1.00 0.00 H new ATOM 0 HB THR A 42 5.664 14.023 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.626 12.403 7.700 1.00 0.00 H new ATOM 0 HG21 THR A 42 3.531 13.486 7.170 1.00 0.00 H new ATOM 0 HG22 THR A 42 3.258 13.879 5.456 1.00 0.00 H new ATOM 0 HG23 THR A 42 3.230 12.183 5.995 1.00 0.00 H new ATOM 685 N ALA A 43 6.973 13.204 2.672 1.00 0.00 N ATOM 686 CA ALA A 43 7.835 14.158 1.920 1.00 0.00 C ATOM 687 C ALA A 43 7.069 14.715 0.717 1.00 0.00 C ATOM 688 O ALA A 43 6.787 15.894 0.643 1.00 0.00 O ATOM 689 CB ALA A 43 9.089 13.431 1.431 1.00 0.00 C ATOM 0 H ALA A 43 6.969 12.248 2.316 1.00 0.00 H new ATOM 0 HA ALA A 43 8.119 14.980 2.577 1.00 0.00 H new ATOM 0 HB1 ALA A 43 9.722 14.127 0.880 1.00 0.00 H new ATOM 0 HB2 ALA A 43 9.639 13.039 2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 43 8.801 12.608 0.777 1.00 0.00 H new ATOM 695 N ASP A 44 6.737 13.879 -0.230 1.00 0.00 N ATOM 696 CA ASP A 44 6.000 14.372 -1.429 1.00 0.00 C ATOM 697 C ASP A 44 4.600 13.748 -1.475 1.00 0.00 C ATOM 698 O ASP A 44 4.451 12.543 -1.501 1.00 0.00 O ATOM 699 CB ASP A 44 6.768 13.979 -2.694 1.00 0.00 C ATOM 700 CG ASP A 44 7.234 12.526 -2.577 1.00 0.00 C ATOM 701 OD1 ASP A 44 6.382 11.657 -2.483 1.00 0.00 O ATOM 702 OD2 ASP A 44 8.434 12.306 -2.586 1.00 0.00 O ATOM 0 H ASP A 44 6.943 12.880 -0.225 1.00 0.00 H new ATOM 0 HA ASP A 44 5.910 15.457 -1.372 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.131 14.098 -3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.626 14.637 -2.831 1.00 0.00 H new ATOM 707 N LYS A 45 3.571 14.556 -1.494 1.00 0.00 N ATOM 708 CA LYS A 45 2.189 14.004 -1.550 1.00 0.00 C ATOM 709 C LYS A 45 1.767 13.852 -3.012 1.00 0.00 C ATOM 710 O LYS A 45 0.610 14.006 -3.354 1.00 0.00 O ATOM 711 CB LYS A 45 1.228 14.961 -0.840 1.00 0.00 C ATOM 712 CG LYS A 45 -0.165 14.332 -0.774 1.00 0.00 C ATOM 713 CD LYS A 45 -1.198 15.321 -1.322 1.00 0.00 C ATOM 714 CE LYS A 45 -2.438 15.314 -0.427 1.00 0.00 C ATOM 715 NZ LYS A 45 -3.614 14.842 -1.212 1.00 0.00 N ATOM 0 H LYS A 45 3.631 15.574 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 45 2.163 13.032 -1.057 1.00 0.00 H new ATOM 0 HB2 LYS A 45 1.589 15.176 0.166 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.185 15.911 -1.373 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -0.187 13.409 -1.353 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -0.408 14.068 0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.771 16.323 -1.362 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -1.471 15.050 -2.342 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.276 14.663 0.432 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.625 16.315 -0.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.470 14.901 -0.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.731 15.439 -2.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.463 13.856 -1.505 1.00 0.00 H new ATOM 729 N GLY A 46 2.697 13.564 -3.881 1.00 0.00 N ATOM 730 CA GLY A 46 2.353 13.414 -5.323 1.00 0.00 C ATOM 731 C GLY A 46 1.807 12.007 -5.587 1.00 0.00 C ATOM 732 O GLY A 46 0.725 11.843 -6.114 1.00 0.00 O ATOM 0 H GLY A 46 3.682 13.426 -3.654 1.00 0.00 H new ATOM 0 HA2 GLY A 46 1.612 14.160 -5.608 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.236 13.592 -5.937 1.00 0.00 H new ATOM 736 N TRP A 47 2.549 10.991 -5.234 1.00 0.00 N ATOM 737 CA TRP A 47 2.068 9.601 -5.479 1.00 0.00 C ATOM 738 C TRP A 47 0.812 9.322 -4.656 1.00 0.00 C ATOM 739 O TRP A 47 0.176 8.301 -4.814 1.00 0.00 O ATOM 740 CB TRP A 47 3.154 8.591 -5.106 1.00 0.00 C ATOM 741 CG TRP A 47 3.336 8.548 -3.622 1.00 0.00 C ATOM 742 CD1 TRP A 47 3.818 9.564 -2.869 1.00 0.00 C ATOM 743 CD2 TRP A 47 3.064 7.449 -2.700 1.00 0.00 C ATOM 744 NE1 TRP A 47 3.869 9.159 -1.549 1.00 0.00 N ATOM 745 CE2 TRP A 47 3.417 7.865 -1.393 1.00 0.00 C ATOM 746 CE3 TRP A 47 2.554 6.143 -2.864 1.00 0.00 C ATOM 747 CZ2 TRP A 47 3.276 7.022 -0.293 1.00 0.00 C ATOM 748 CZ3 TRP A 47 2.411 5.294 -1.755 1.00 0.00 C ATOM 749 CH2 TRP A 47 2.775 5.733 -0.474 1.00 0.00 C ATOM 0 H TRP A 47 3.464 11.063 -4.788 1.00 0.00 H new ATOM 0 HA TRP A 47 1.833 9.501 -6.539 1.00 0.00 H new ATOM 0 HB2 TRP A 47 2.882 7.602 -5.475 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.094 8.863 -5.587 1.00 0.00 H new ATOM 0 HD1 TRP A 47 4.115 10.534 -3.240 1.00 0.00 H new ATOM 0 HE1 TRP A 47 4.201 9.745 -0.783 1.00 0.00 H new ATOM 0 HE3 TRP A 47 2.273 5.795 -3.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 3.553 7.364 0.693 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 2.018 4.297 -1.889 1.00 0.00 H new ATOM 0 HH2 TRP A 47 2.667 5.072 0.373 1.00 0.00 H new ATOM 760 N GLN A 48 0.440 10.212 -3.781 1.00 0.00 N ATOM 761 CA GLN A 48 -0.784 9.967 -2.973 1.00 0.00 C ATOM 762 C GLN A 48 -1.972 9.805 -3.924 1.00 0.00 C ATOM 763 O GLN A 48 -2.554 8.743 -4.033 1.00 0.00 O ATOM 764 CB GLN A 48 -1.027 11.154 -2.039 1.00 0.00 C ATOM 765 CG GLN A 48 -1.688 10.667 -0.747 1.00 0.00 C ATOM 766 CD GLN A 48 -0.837 9.558 -0.122 1.00 0.00 C ATOM 767 OE1 GLN A 48 -1.327 8.773 0.666 1.00 0.00 O ATOM 768 NE2 GLN A 48 0.424 9.459 -0.441 1.00 0.00 N ATOM 0 H GLN A 48 0.925 11.089 -3.592 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.663 9.065 -2.374 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.083 11.649 -1.812 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -1.664 11.891 -2.529 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -1.795 11.495 -0.047 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -2.691 10.295 -0.957 1.00 0.00 H new ATOM 0 HE21 GLN A 48 0.836 10.117 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 48 0.998 8.723 -0.029 1.00 0.00 H new ATOM 777 N ASN A 49 -2.328 10.850 -4.622 1.00 0.00 N ATOM 778 CA ASN A 49 -3.469 10.763 -5.578 1.00 0.00 C ATOM 779 C ASN A 49 -3.051 9.932 -6.794 1.00 0.00 C ATOM 780 O ASN A 49 -3.866 9.562 -7.615 1.00 0.00 O ATOM 781 CB ASN A 49 -3.864 12.171 -6.037 1.00 0.00 C ATOM 782 CG ASN A 49 -3.605 13.173 -4.909 1.00 0.00 C ATOM 783 OD1 ASN A 49 -2.581 13.828 -4.885 1.00 0.00 O ATOM 784 ND2 ASN A 49 -4.496 13.322 -3.968 1.00 0.00 N ATOM 0 H ASN A 49 -1.876 11.763 -4.571 1.00 0.00 H new ATOM 0 HA ASN A 49 -4.319 10.290 -5.085 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.292 12.449 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.917 12.190 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.333 13.988 -3.213 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.355 12.773 -3.988 1.00 0.00 H new ATOM 791 N SER A 50 -1.786 9.638 -6.918 1.00 0.00 N ATOM 792 CA SER A 50 -1.323 8.836 -8.084 1.00 0.00 C ATOM 793 C SER A 50 -1.788 7.387 -7.929 1.00 0.00 C ATOM 794 O SER A 50 -2.324 6.803 -8.843 1.00 0.00 O ATOM 795 CB SER A 50 0.204 8.873 -8.155 1.00 0.00 C ATOM 796 OG SER A 50 0.738 7.873 -7.297 1.00 0.00 O ATOM 0 H SER A 50 -1.055 9.918 -6.264 1.00 0.00 H new ATOM 0 HA SER A 50 -1.742 9.256 -8.999 1.00 0.00 H new ATOM 0 HB2 SER A 50 0.536 8.705 -9.179 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.570 9.856 -7.859 1.00 0.00 H new ATOM 0 HG SER A 50 1.434 7.373 -7.771 1.00 0.00 H new ATOM 802 N ILE A 51 -1.582 6.808 -6.779 1.00 0.00 N ATOM 803 CA ILE A 51 -2.003 5.394 -6.553 1.00 0.00 C ATOM 804 C ILE A 51 -3.510 5.254 -6.796 1.00 0.00 C ATOM 805 O ILE A 51 -3.950 4.367 -7.489 1.00 0.00 O ATOM 806 CB ILE A 51 -1.660 5.004 -5.103 1.00 0.00 C ATOM 807 CG1 ILE A 51 -0.221 4.478 -5.014 1.00 0.00 C ATOM 808 CG2 ILE A 51 -2.602 3.904 -4.602 1.00 0.00 C ATOM 809 CD1 ILE A 51 0.688 5.219 -5.997 1.00 0.00 C ATOM 0 H ILE A 51 -1.136 7.256 -5.979 1.00 0.00 H new ATOM 0 HA ILE A 51 -1.479 4.734 -7.244 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.771 5.897 -4.488 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.155 4.603 -3.999 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.205 3.410 -5.231 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.343 3.643 -3.576 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.631 4.262 -4.637 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -2.503 3.023 -5.237 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.703 4.831 -5.917 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.322 5.072 -7.013 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.687 6.283 -5.762 1.00 0.00 H new ATOM 821 N ARG A 52 -4.301 6.108 -6.216 1.00 0.00 N ATOM 822 CA ARG A 52 -5.777 6.003 -6.406 1.00 0.00 C ATOM 823 C ARG A 52 -6.122 5.992 -7.900 1.00 0.00 C ATOM 824 O ARG A 52 -6.791 5.103 -8.387 1.00 0.00 O ATOM 825 CB ARG A 52 -6.458 7.200 -5.735 1.00 0.00 C ATOM 826 CG ARG A 52 -7.922 7.279 -6.175 1.00 0.00 C ATOM 827 CD ARG A 52 -8.534 8.588 -5.675 1.00 0.00 C ATOM 828 NE ARG A 52 -9.361 9.196 -6.755 1.00 0.00 N ATOM 829 CZ ARG A 52 -8.810 9.530 -7.892 1.00 0.00 C ATOM 830 NH1 ARG A 52 -7.518 9.695 -7.970 1.00 0.00 N ATOM 831 NH2 ARG A 52 -9.554 9.700 -8.950 1.00 0.00 N ATOM 0 H ARG A 52 -3.993 6.875 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.129 5.074 -5.956 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -6.400 7.102 -4.651 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.939 8.121 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.990 7.225 -7.262 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -8.479 6.430 -5.778 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.148 8.401 -4.794 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.746 9.278 -5.374 1.00 0.00 H new ATOM 0 HE ARG A 52 -10.358 9.352 -6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.936 9.563 -7.143 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.090 9.956 -8.858 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -10.564 9.572 -8.889 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.126 9.961 -9.838 1.00 0.00 H new ATOM 845 N HIS A 53 -5.688 6.985 -8.625 1.00 0.00 N ATOM 846 CA HIS A 53 -6.008 7.051 -10.081 1.00 0.00 C ATOM 847 C HIS A 53 -5.321 5.910 -10.843 1.00 0.00 C ATOM 848 O HIS A 53 -5.761 5.511 -11.904 1.00 0.00 O ATOM 849 CB HIS A 53 -5.525 8.397 -10.628 1.00 0.00 C ATOM 850 CG HIS A 53 -6.348 8.778 -11.829 1.00 0.00 C ATOM 851 ND1 HIS A 53 -5.796 9.398 -12.939 1.00 0.00 N ATOM 852 CD2 HIS A 53 -7.685 8.634 -12.106 1.00 0.00 C ATOM 853 CE1 HIS A 53 -6.789 9.602 -13.825 1.00 0.00 C ATOM 854 NE2 HIS A 53 -7.961 9.154 -13.366 1.00 0.00 N ATOM 0 H HIS A 53 -5.123 7.757 -8.272 1.00 0.00 H new ATOM 0 HA HIS A 53 -7.085 6.950 -10.215 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -5.609 9.165 -9.859 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -4.472 8.333 -10.902 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -8.412 8.185 -11.446 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.655 10.070 -14.789 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -8.864 9.186 -13.838 1.00 0.00 H new ATOM 862 N ASN A 54 -4.246 5.388 -10.323 1.00 0.00 N ATOM 863 CA ASN A 54 -3.530 4.282 -11.027 1.00 0.00 C ATOM 864 C ASN A 54 -4.336 2.986 -10.933 1.00 0.00 C ATOM 865 O ASN A 54 -4.511 2.273 -11.901 1.00 0.00 O ATOM 866 CB ASN A 54 -2.163 4.070 -10.370 1.00 0.00 C ATOM 867 CG ASN A 54 -1.155 5.064 -10.950 1.00 0.00 C ATOM 868 OD1 ASN A 54 -0.998 5.156 -12.152 1.00 0.00 O ATOM 869 ND2 ASN A 54 -0.460 5.817 -10.143 1.00 0.00 N ATOM 0 H ASN A 54 -3.829 5.679 -9.439 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.406 4.550 -12.076 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.242 4.204 -9.291 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -1.821 3.049 -10.540 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.215 6.482 -10.521 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -0.591 5.740 -9.134 1.00 0.00 H new ATOM 876 N LEU A 55 -4.808 2.672 -9.765 1.00 0.00 N ATOM 877 CA LEU A 55 -5.583 1.420 -9.567 1.00 0.00 C ATOM 878 C LEU A 55 -6.828 1.413 -10.455 1.00 0.00 C ATOM 879 O LEU A 55 -7.474 0.396 -10.620 1.00 0.00 O ATOM 880 CB LEU A 55 -5.991 1.330 -8.097 1.00 0.00 C ATOM 881 CG LEU A 55 -4.738 1.341 -7.221 1.00 0.00 C ATOM 882 CD1 LEU A 55 -5.142 1.394 -5.747 1.00 0.00 C ATOM 883 CD2 LEU A 55 -3.930 0.070 -7.486 1.00 0.00 C ATOM 0 H LEU A 55 -4.688 3.238 -8.925 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.968 0.563 -9.840 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -6.638 2.167 -7.836 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -6.563 0.419 -7.922 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.133 2.216 -7.458 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.247 1.402 -5.125 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.721 2.298 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.746 0.520 -5.504 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.035 0.072 -6.864 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.537 -0.803 -7.246 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.642 0.034 -8.537 1.00 0.00 H new ATOM 895 N SER A 56 -7.172 2.528 -11.035 1.00 0.00 N ATOM 896 CA SER A 56 -8.375 2.563 -11.911 1.00 0.00 C ATOM 897 C SER A 56 -7.967 2.216 -13.345 1.00 0.00 C ATOM 898 O SER A 56 -8.589 1.401 -13.998 1.00 0.00 O ATOM 899 CB SER A 56 -8.990 3.962 -11.879 1.00 0.00 C ATOM 900 OG SER A 56 -10.405 3.849 -11.806 1.00 0.00 O ATOM 0 H SER A 56 -6.674 3.413 -10.941 1.00 0.00 H new ATOM 0 HA SER A 56 -9.107 1.839 -11.554 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.613 4.518 -11.021 1.00 0.00 H new ATOM 0 HB3 SER A 56 -8.703 4.519 -12.771 1.00 0.00 H new ATOM 0 HG SER A 56 -10.804 4.744 -11.783 1.00 0.00 H new ATOM 906 N LEU A 57 -6.929 2.831 -13.842 1.00 0.00 N ATOM 907 CA LEU A 57 -6.484 2.542 -15.233 1.00 0.00 C ATOM 908 C LEU A 57 -5.458 1.405 -15.238 1.00 0.00 C ATOM 909 O LEU A 57 -4.795 1.168 -16.227 1.00 0.00 O ATOM 910 CB LEU A 57 -5.851 3.797 -15.834 1.00 0.00 C ATOM 911 CG LEU A 57 -4.732 4.301 -14.918 1.00 0.00 C ATOM 912 CD1 LEU A 57 -3.383 4.135 -15.620 1.00 0.00 C ATOM 913 CD2 LEU A 57 -4.962 5.782 -14.607 1.00 0.00 C ATOM 0 H LEU A 57 -6.369 3.522 -13.343 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.348 2.242 -15.825 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.452 3.576 -16.824 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -6.607 4.572 -15.961 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.733 3.726 -13.992 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.587 4.494 -14.968 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.219 3.082 -15.848 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -3.381 4.711 -16.545 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.167 6.145 -13.955 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.959 6.353 -15.535 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -5.924 5.904 -14.109 1.00 0.00 H new ATOM 925 N ASN A 58 -5.318 0.694 -14.151 1.00 0.00 N ATOM 926 CA ASN A 58 -4.326 -0.424 -14.132 1.00 0.00 C ATOM 927 C ASN A 58 -4.980 -1.694 -14.677 1.00 0.00 C ATOM 928 O ASN A 58 -6.179 -1.873 -14.590 1.00 0.00 O ATOM 929 CB ASN A 58 -3.828 -0.685 -12.707 1.00 0.00 C ATOM 930 CG ASN A 58 -2.406 -0.140 -12.555 1.00 0.00 C ATOM 931 OD1 ASN A 58 -1.500 -0.866 -12.200 1.00 0.00 O ATOM 932 ND2 ASN A 58 -2.170 1.118 -12.814 1.00 0.00 N ATOM 0 H ASN A 58 -5.839 0.835 -13.285 1.00 0.00 H new ATOM 0 HA ASN A 58 -3.476 -0.143 -14.754 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -4.491 -0.207 -11.986 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -3.844 -1.754 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -1.225 1.490 -12.718 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -2.931 1.729 -13.112 1.00 0.00 H new ATOM 939 N ARG A 59 -4.201 -2.573 -15.246 1.00 0.00 N ATOM 940 CA ARG A 59 -4.780 -3.828 -15.809 1.00 0.00 C ATOM 941 C ARG A 59 -4.854 -4.919 -14.733 1.00 0.00 C ATOM 942 O ARG A 59 -5.466 -5.950 -14.936 1.00 0.00 O ATOM 943 CB ARG A 59 -3.921 -4.322 -16.980 1.00 0.00 C ATOM 944 CG ARG A 59 -2.435 -4.137 -16.666 1.00 0.00 C ATOM 945 CD ARG A 59 -1.872 -3.002 -17.524 1.00 0.00 C ATOM 946 NE ARG A 59 -1.445 -1.873 -16.648 1.00 0.00 N ATOM 947 CZ ARG A 59 -0.303 -1.926 -16.015 1.00 0.00 C ATOM 948 NH1 ARG A 59 0.734 -2.489 -16.575 1.00 0.00 N ATOM 949 NH2 ARG A 59 -0.199 -1.412 -14.820 1.00 0.00 N ATOM 0 H ARG A 59 -3.190 -2.478 -15.346 1.00 0.00 H new ATOM 0 HA ARG A 59 -5.788 -3.613 -16.162 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -4.130 -5.374 -17.174 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -4.179 -3.773 -17.886 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.301 -3.909 -15.609 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.892 -5.061 -16.864 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -1.025 -3.361 -18.109 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.627 -2.660 -18.232 1.00 0.00 H new ATOM 0 HE ARG A 59 -2.047 -1.056 -16.543 1.00 0.00 H new ATOM 0 HH11 ARG A 59 0.654 -2.889 -17.510 1.00 0.00 H new ATOM 0 HH12 ARG A 59 1.624 -2.528 -16.078 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.008 -0.970 -14.383 1.00 0.00 H new ATOM 0 HH22 ARG A 59 0.691 -1.452 -14.323 1.00 0.00 H new ATOM 963 N TYR A 60 -4.252 -4.714 -13.589 1.00 0.00 N ATOM 964 CA TYR A 60 -4.322 -5.765 -12.529 1.00 0.00 C ATOM 965 C TYR A 60 -4.631 -5.135 -11.171 1.00 0.00 C ATOM 966 O TYR A 60 -4.018 -5.459 -10.173 1.00 0.00 O ATOM 967 CB TYR A 60 -2.997 -6.523 -12.441 1.00 0.00 C ATOM 968 CG TYR A 60 -1.837 -5.557 -12.457 1.00 0.00 C ATOM 969 CD1 TYR A 60 -1.373 -5.055 -13.674 1.00 0.00 C ATOM 970 CD2 TYR A 60 -1.213 -5.179 -11.260 1.00 0.00 C ATOM 971 CE1 TYR A 60 -0.289 -4.173 -13.703 1.00 0.00 C ATOM 972 CE2 TYR A 60 -0.128 -4.296 -11.290 1.00 0.00 C ATOM 973 CZ TYR A 60 0.335 -3.793 -12.512 1.00 0.00 C ATOM 974 OH TYR A 60 1.405 -2.922 -12.540 1.00 0.00 O ATOM 0 H TYR A 60 -3.722 -3.877 -13.345 1.00 0.00 H new ATOM 0 HA TYR A 60 -5.119 -6.460 -12.794 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.971 -7.118 -11.528 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -2.912 -7.218 -13.277 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -1.853 -5.349 -14.596 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.569 -5.568 -10.317 1.00 0.00 H new ATOM 0 HE1 TYR A 60 0.066 -3.785 -14.646 1.00 0.00 H new ATOM 0 HE2 TYR A 60 0.353 -4.002 -10.369 1.00 0.00 H new ATOM 0 HH TYR A 60 1.895 -3.033 -13.381 1.00 0.00 H new ATOM 984 N PHE A 61 -5.589 -4.254 -11.117 1.00 0.00 N ATOM 985 CA PHE A 61 -5.946 -3.625 -9.816 1.00 0.00 C ATOM 986 C PHE A 61 -7.454 -3.399 -9.769 1.00 0.00 C ATOM 987 O PHE A 61 -7.976 -2.462 -10.340 1.00 0.00 O ATOM 988 CB PHE A 61 -5.211 -2.297 -9.659 1.00 0.00 C ATOM 989 CG PHE A 61 -3.810 -2.568 -9.169 1.00 0.00 C ATOM 990 CD1 PHE A 61 -3.601 -3.105 -7.892 1.00 0.00 C ATOM 991 CD2 PHE A 61 -2.718 -2.290 -9.993 1.00 0.00 C ATOM 992 CE1 PHE A 61 -2.302 -3.359 -7.450 1.00 0.00 C ATOM 993 CE2 PHE A 61 -1.426 -2.542 -9.551 1.00 0.00 C ATOM 994 CZ PHE A 61 -1.212 -3.077 -8.279 1.00 0.00 C ATOM 0 H PHE A 61 -6.140 -3.942 -11.917 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.651 -4.283 -8.999 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -5.181 -1.768 -10.611 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -5.739 -1.655 -8.954 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -4.443 -3.322 -7.251 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -2.879 -1.877 -10.978 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.138 -3.774 -6.466 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.585 -2.324 -10.192 1.00 0.00 H new ATOM 0 HZ PHE A 61 -0.207 -3.273 -7.936 1.00 0.00 H new ATOM 1004 N ILE A 62 -8.155 -4.264 -9.097 1.00 0.00 N ATOM 1005 CA ILE A 62 -9.637 -4.125 -9.009 1.00 0.00 C ATOM 1006 C ILE A 62 -10.050 -3.876 -7.557 1.00 0.00 C ATOM 1007 O ILE A 62 -9.425 -4.357 -6.633 1.00 0.00 O ATOM 1008 CB ILE A 62 -10.297 -5.413 -9.510 1.00 0.00 C ATOM 1009 CG1 ILE A 62 -10.132 -6.516 -8.459 1.00 0.00 C ATOM 1010 CG2 ILE A 62 -9.634 -5.855 -10.817 1.00 0.00 C ATOM 1011 CD1 ILE A 62 -10.862 -7.777 -8.921 1.00 0.00 C ATOM 0 H ILE A 62 -7.766 -5.066 -8.601 1.00 0.00 H new ATOM 0 HA ILE A 62 -9.957 -3.283 -9.623 1.00 0.00 H new ATOM 0 HB ILE A 62 -11.357 -5.230 -9.684 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.074 -6.731 -8.306 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -10.531 -6.183 -7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -10.105 -6.772 -11.172 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -9.751 -5.073 -11.567 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -8.573 -6.036 -10.644 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -10.744 -8.561 -8.173 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -11.922 -7.557 -9.052 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -10.442 -8.114 -9.869 1.00 0.00 H new ATOM 1023 N LYS A 63 -11.105 -3.137 -7.348 1.00 0.00 N ATOM 1024 CA LYS A 63 -11.565 -2.868 -5.956 1.00 0.00 C ATOM 1025 C LYS A 63 -12.829 -3.685 -5.677 1.00 0.00 C ATOM 1026 O LYS A 63 -13.144 -4.617 -6.388 1.00 0.00 O ATOM 1027 CB LYS A 63 -11.869 -1.378 -5.791 1.00 0.00 C ATOM 1028 CG LYS A 63 -13.015 -0.980 -6.722 1.00 0.00 C ATOM 1029 CD LYS A 63 -12.522 0.082 -7.708 1.00 0.00 C ATOM 1030 CE LYS A 63 -13.694 0.974 -8.123 1.00 0.00 C ATOM 1031 NZ LYS A 63 -13.395 1.606 -9.439 1.00 0.00 N ATOM 0 H LYS A 63 -11.669 -2.708 -8.082 1.00 0.00 H new ATOM 0 HA LYS A 63 -10.783 -3.152 -5.252 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.137 -1.164 -4.756 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.981 -0.788 -6.019 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -13.379 -1.853 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -13.852 -0.593 -6.141 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.738 0.684 -7.249 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.086 -0.395 -8.585 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -14.608 0.384 -8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -13.865 1.742 -7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -14.191 2.212 -9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -12.532 2.182 -9.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.252 0.866 -10.155 1.00 0.00 H new ATOM 1045 N VAL A 64 -13.554 -3.344 -4.648 1.00 0.00 N ATOM 1046 CA VAL A 64 -14.793 -4.108 -4.328 1.00 0.00 C ATOM 1047 C VAL A 64 -15.850 -3.159 -3.754 1.00 0.00 C ATOM 1048 O VAL A 64 -15.941 -2.987 -2.555 1.00 0.00 O ATOM 1049 CB VAL A 64 -14.464 -5.194 -3.301 1.00 0.00 C ATOM 1050 CG1 VAL A 64 -13.625 -4.591 -2.174 1.00 0.00 C ATOM 1051 CG2 VAL A 64 -15.761 -5.761 -2.721 1.00 0.00 C ATOM 0 H VAL A 64 -13.343 -2.572 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 64 -15.182 -4.569 -5.236 1.00 0.00 H new ATOM 0 HB VAL A 64 -13.904 -5.993 -3.786 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -13.390 -5.364 -1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.700 -4.187 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -14.186 -3.792 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -15.525 -6.534 -1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -16.322 -4.962 -2.236 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -16.361 -6.191 -3.523 1.00 0.00 H new ATOM 1061 N PRO A 65 -16.619 -2.571 -4.636 1.00 0.00 N ATOM 1062 CA PRO A 65 -17.687 -1.630 -4.257 1.00 0.00 C ATOM 1063 C PRO A 65 -18.918 -2.390 -3.751 1.00 0.00 C ATOM 1064 O PRO A 65 -19.033 -3.588 -3.919 1.00 0.00 O ATOM 1065 CB PRO A 65 -18.000 -0.899 -5.565 1.00 0.00 C ATOM 1066 CG PRO A 65 -17.523 -1.827 -6.708 1.00 0.00 C ATOM 1067 CD PRO A 65 -16.492 -2.790 -6.091 1.00 0.00 C ATOM 0 HA PRO A 65 -17.396 -0.954 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -19.067 -0.695 -5.650 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -17.487 0.062 -5.605 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -18.361 -2.378 -7.135 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -17.077 -1.248 -7.517 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -16.704 -3.825 -6.358 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -15.483 -2.571 -6.440 1.00 0.00 H new ATOM 1075 N ARG A 66 -19.839 -1.700 -3.135 1.00 0.00 N ATOM 1076 CA ARG A 66 -21.064 -2.376 -2.621 1.00 0.00 C ATOM 1077 C ARG A 66 -22.211 -1.366 -2.568 1.00 0.00 C ATOM 1078 O ARG A 66 -22.165 -0.399 -1.835 1.00 0.00 O ATOM 1079 CB ARG A 66 -20.799 -2.919 -1.214 1.00 0.00 C ATOM 1080 CG ARG A 66 -21.889 -3.925 -0.841 1.00 0.00 C ATOM 1081 CD ARG A 66 -21.480 -5.323 -1.310 1.00 0.00 C ATOM 1082 NE ARG A 66 -22.645 -5.988 -1.959 1.00 0.00 N ATOM 1083 CZ ARG A 66 -22.564 -7.236 -2.332 1.00 0.00 C ATOM 1084 NH1 ARG A 66 -21.539 -7.961 -1.973 1.00 0.00 N ATOM 1085 NH2 ARG A 66 -23.506 -7.759 -3.065 1.00 0.00 N ATOM 0 H ARG A 66 -19.796 -0.695 -2.965 1.00 0.00 H new ATOM 0 HA ARG A 66 -21.330 -3.201 -3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -19.820 -3.397 -1.176 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -20.783 -2.101 -0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -22.045 -3.924 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -22.835 -3.639 -1.301 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.649 -5.254 -2.012 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -21.134 -5.916 -0.463 1.00 0.00 H new ATOM 0 HE ARG A 66 -23.508 -5.466 -2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -20.801 -7.552 -1.400 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -21.477 -8.936 -2.265 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -24.306 -7.193 -3.347 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -23.443 -8.734 -3.357 1.00 0.00 H new ATOM 1099 N SER A 67 -23.238 -1.577 -3.345 1.00 0.00 N ATOM 1100 CA SER A 67 -24.382 -0.623 -3.339 1.00 0.00 C ATOM 1101 C SER A 67 -25.686 -1.383 -3.584 1.00 0.00 C ATOM 1102 O SER A 67 -26.693 -0.807 -3.945 1.00 0.00 O ATOM 1103 CB SER A 67 -24.182 0.414 -4.445 1.00 0.00 C ATOM 1104 OG SER A 67 -23.434 1.508 -3.932 1.00 0.00 O ATOM 0 H SER A 67 -23.334 -2.367 -3.983 1.00 0.00 H new ATOM 0 HA SER A 67 -24.432 -0.122 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 67 -23.660 -0.035 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 67 -25.147 0.760 -4.814 1.00 0.00 H new ATOM 0 HG SER A 67 -22.879 1.203 -3.184 1.00 0.00 H new ATOM 1110 N GLN A 68 -25.678 -2.674 -3.393 1.00 0.00 N ATOM 1111 CA GLN A 68 -26.919 -3.467 -3.619 1.00 0.00 C ATOM 1112 C GLN A 68 -27.619 -3.727 -2.281 1.00 0.00 C ATOM 1113 O GLN A 68 -28.694 -4.291 -2.234 1.00 0.00 O ATOM 1114 CB GLN A 68 -26.559 -4.804 -4.271 1.00 0.00 C ATOM 1115 CG GLN A 68 -27.810 -5.415 -4.906 1.00 0.00 C ATOM 1116 CD GLN A 68 -28.422 -4.418 -5.891 1.00 0.00 C ATOM 1117 OE1 GLN A 68 -28.077 -4.407 -7.056 1.00 0.00 O ATOM 1118 NE2 GLN A 68 -29.325 -3.573 -5.471 1.00 0.00 N ATOM 0 H GLN A 68 -24.867 -3.213 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 68 -27.587 -2.908 -4.274 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -25.789 -4.656 -5.028 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -26.147 -5.485 -3.526 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -27.554 -6.341 -5.421 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -28.535 -5.670 -4.133 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -29.616 -3.581 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -29.740 -2.905 -6.121 1.00 0.00 H new ATOM 1127 N GLU A 69 -27.019 -3.324 -1.193 1.00 0.00 N ATOM 1128 CA GLU A 69 -27.657 -3.554 0.134 1.00 0.00 C ATOM 1129 C GLU A 69 -27.560 -2.279 0.974 1.00 0.00 C ATOM 1130 O GLU A 69 -28.547 -1.625 1.245 1.00 0.00 O ATOM 1131 CB GLU A 69 -26.934 -4.694 0.855 1.00 0.00 C ATOM 1132 CG GLU A 69 -27.948 -5.761 1.269 1.00 0.00 C ATOM 1133 CD GLU A 69 -27.732 -7.021 0.431 1.00 0.00 C ATOM 1134 OE1 GLU A 69 -28.095 -7.006 -0.733 1.00 0.00 O ATOM 1135 OE2 GLU A 69 -27.207 -7.983 0.968 1.00 0.00 O ATOM 0 H GLU A 69 -26.118 -2.847 -1.166 1.00 0.00 H new ATOM 0 HA GLU A 69 -28.705 -3.818 -0.007 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -26.178 -5.130 0.202 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -26.414 -4.311 1.733 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -27.837 -5.992 2.328 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -28.962 -5.388 1.129 1.00 0.00 H new ATOM 1142 N GLU A 70 -26.376 -1.920 1.388 1.00 0.00 N ATOM 1143 CA GLU A 70 -26.216 -0.688 2.210 1.00 0.00 C ATOM 1144 C GLU A 70 -25.923 0.503 1.290 1.00 0.00 C ATOM 1145 O GLU A 70 -25.361 0.339 0.227 1.00 0.00 O ATOM 1146 CB GLU A 70 -25.054 -0.874 3.188 1.00 0.00 C ATOM 1147 CG GLU A 70 -25.568 -1.523 4.474 1.00 0.00 C ATOM 1148 CD GLU A 70 -26.025 -0.436 5.450 1.00 0.00 C ATOM 1149 OE1 GLU A 70 -25.371 0.592 5.509 1.00 0.00 O ATOM 1150 OE2 GLU A 70 -27.022 -0.651 6.120 1.00 0.00 O ATOM 0 H GLU A 70 -25.513 -2.427 1.192 1.00 0.00 H new ATOM 0 HA GLU A 70 -27.134 -0.501 2.768 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -24.282 -1.497 2.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -24.596 0.089 3.412 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -26.396 -2.195 4.248 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -24.782 -2.127 4.928 1.00 0.00 H new ATOM 1157 N PRO A 71 -26.318 1.668 1.734 1.00 0.00 N ATOM 1158 CA PRO A 71 -26.116 2.916 0.978 1.00 0.00 C ATOM 1159 C PRO A 71 -24.663 3.388 1.103 1.00 0.00 C ATOM 1160 O PRO A 71 -24.256 4.349 0.480 1.00 0.00 O ATOM 1161 CB PRO A 71 -27.071 3.903 1.654 1.00 0.00 C ATOM 1162 CG PRO A 71 -27.333 3.352 3.077 1.00 0.00 C ATOM 1163 CD PRO A 71 -27.002 1.849 3.032 1.00 0.00 C ATOM 0 HA PRO A 71 -26.308 2.807 -0.089 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -26.632 4.900 1.698 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -28.002 3.989 1.093 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -26.712 3.864 3.812 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -28.371 3.512 3.370 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -26.361 1.557 3.864 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -27.904 1.240 3.095 1.00 0.00 H new ATOM 1171 N GLY A 72 -23.879 2.717 1.901 1.00 0.00 N ATOM 1172 CA GLY A 72 -22.455 3.126 2.065 1.00 0.00 C ATOM 1173 C GLY A 72 -21.612 2.496 0.955 1.00 0.00 C ATOM 1174 O GLY A 72 -21.288 1.325 0.995 1.00 0.00 O ATOM 0 H GLY A 72 -24.163 1.903 2.447 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -22.371 4.212 2.028 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -22.085 2.811 3.041 1.00 0.00 H new ATOM 1178 N LYS A 73 -21.253 3.264 -0.038 1.00 0.00 N ATOM 1179 CA LYS A 73 -20.430 2.709 -1.151 1.00 0.00 C ATOM 1180 C LYS A 73 -19.084 2.224 -0.600 1.00 0.00 C ATOM 1181 O LYS A 73 -18.348 2.972 0.010 1.00 0.00 O ATOM 1182 CB LYS A 73 -20.190 3.800 -2.198 1.00 0.00 C ATOM 1183 CG LYS A 73 -20.847 3.397 -3.520 1.00 0.00 C ATOM 1184 CD LYS A 73 -20.229 4.201 -4.666 1.00 0.00 C ATOM 1185 CE LYS A 73 -21.044 5.475 -4.895 1.00 0.00 C ATOM 1186 NZ LYS A 73 -20.121 6.637 -5.039 1.00 0.00 N ATOM 0 H LYS A 73 -21.494 4.251 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.956 1.872 -1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -20.601 4.748 -1.851 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -19.120 3.950 -2.343 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -20.710 2.330 -3.696 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -21.921 3.577 -3.474 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -19.196 4.455 -4.430 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -20.209 3.601 -5.576 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -21.657 5.371 -5.790 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -21.725 5.639 -4.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -20.675 7.503 -5.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -19.554 6.740 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -19.489 6.480 -5.850 1.00 0.00 H new ATOM 1200 N GLY A 74 -18.760 0.977 -0.812 1.00 0.00 N ATOM 1201 CA GLY A 74 -17.463 0.446 -0.300 1.00 0.00 C ATOM 1202 C GLY A 74 -16.311 1.051 -1.108 1.00 0.00 C ATOM 1203 O GLY A 74 -16.525 1.774 -2.059 1.00 0.00 O ATOM 0 H GLY A 74 -19.336 0.303 -1.317 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -17.349 0.691 0.756 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -17.446 -0.641 -0.379 1.00 0.00 H new ATOM 1207 N SER A 75 -15.093 0.762 -0.738 1.00 0.00 N ATOM 1208 CA SER A 75 -13.938 1.326 -1.493 1.00 0.00 C ATOM 1209 C SER A 75 -12.662 0.561 -1.135 1.00 0.00 C ATOM 1210 O SER A 75 -11.621 1.147 -0.911 1.00 0.00 O ATOM 1211 CB SER A 75 -13.766 2.803 -1.129 1.00 0.00 C ATOM 1212 OG SER A 75 -14.908 3.244 -0.407 1.00 0.00 O ATOM 0 H SER A 75 -14.848 0.163 0.050 1.00 0.00 H new ATOM 0 HA SER A 75 -14.125 1.231 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.867 2.939 -0.528 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.640 3.400 -2.032 1.00 0.00 H new ATOM 0 HG SER A 75 -14.801 4.189 -0.171 1.00 0.00 H new ATOM 1218 N PHE A 76 -12.727 -0.741 -1.081 1.00 0.00 N ATOM 1219 CA PHE A 76 -11.509 -1.531 -0.741 1.00 0.00 C ATOM 1220 C PHE A 76 -10.738 -1.854 -2.023 1.00 0.00 C ATOM 1221 O PHE A 76 -11.251 -2.481 -2.929 1.00 0.00 O ATOM 1222 CB PHE A 76 -11.912 -2.830 -0.041 1.00 0.00 C ATOM 1223 CG PHE A 76 -10.968 -3.086 1.109 1.00 0.00 C ATOM 1224 CD1 PHE A 76 -9.615 -3.338 0.859 1.00 0.00 C ATOM 1225 CD2 PHE A 76 -11.444 -3.067 2.426 1.00 0.00 C ATOM 1226 CE1 PHE A 76 -8.738 -3.572 1.926 1.00 0.00 C ATOM 1227 CE2 PHE A 76 -10.566 -3.302 3.491 1.00 0.00 C ATOM 1228 CZ PHE A 76 -9.213 -3.554 3.240 1.00 0.00 C ATOM 0 H PHE A 76 -13.568 -1.291 -1.257 1.00 0.00 H new ATOM 0 HA PHE A 76 -10.875 -0.948 -0.073 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -12.937 -2.758 0.323 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -11.881 -3.662 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -9.247 -3.352 -0.156 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -12.488 -2.871 2.620 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.693 -3.767 1.733 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.933 -3.289 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 76 -8.536 -3.735 4.062 1.00 0.00 H new ATOM 1238 N TRP A 77 -9.513 -1.418 -2.107 1.00 0.00 N ATOM 1239 CA TRP A 77 -8.700 -1.681 -3.328 1.00 0.00 C ATOM 1240 C TRP A 77 -8.094 -3.084 -3.269 1.00 0.00 C ATOM 1241 O TRP A 77 -7.720 -3.564 -2.222 1.00 0.00 O ATOM 1242 CB TRP A 77 -7.572 -0.653 -3.401 1.00 0.00 C ATOM 1243 CG TRP A 77 -7.947 0.436 -4.351 1.00 0.00 C ATOM 1244 CD1 TRP A 77 -8.056 1.746 -4.028 1.00 0.00 C ATOM 1245 CD2 TRP A 77 -8.260 0.333 -5.766 1.00 0.00 C ATOM 1246 NE1 TRP A 77 -8.414 2.453 -5.161 1.00 0.00 N ATOM 1247 CE2 TRP A 77 -8.550 1.627 -6.258 1.00 0.00 C ATOM 1248 CE3 TRP A 77 -8.317 -0.747 -6.664 1.00 0.00 C ATOM 1249 CZ2 TRP A 77 -8.884 1.842 -7.594 1.00 0.00 C ATOM 1250 CZ3 TRP A 77 -8.653 -0.534 -8.009 1.00 0.00 C ATOM 1251 CH2 TRP A 77 -8.935 0.758 -8.473 1.00 0.00 C ATOM 0 H TRP A 77 -9.036 -0.887 -1.378 1.00 0.00 H new ATOM 0 HA TRP A 77 -9.339 -1.607 -4.208 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -7.381 -0.237 -2.412 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -6.650 -1.133 -3.728 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -7.891 2.169 -3.048 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -8.560 3.462 -5.183 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -8.101 -1.746 -6.316 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -9.102 2.839 -7.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -8.695 -1.370 -8.691 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.192 0.915 -9.510 1.00 0.00 H new ATOM 1262 N ARG A 78 -7.980 -3.736 -4.396 1.00 0.00 N ATOM 1263 CA ARG A 78 -7.380 -5.104 -4.426 1.00 0.00 C ATOM 1264 C ARG A 78 -6.756 -5.344 -5.803 1.00 0.00 C ATOM 1265 O ARG A 78 -7.007 -4.612 -6.739 1.00 0.00 O ATOM 1266 CB ARG A 78 -8.467 -6.161 -4.184 1.00 0.00 C ATOM 1267 CG ARG A 78 -9.445 -5.679 -3.110 1.00 0.00 C ATOM 1268 CD ARG A 78 -10.265 -6.867 -2.600 1.00 0.00 C ATOM 1269 NE ARG A 78 -11.599 -6.876 -3.261 1.00 0.00 N ATOM 1270 CZ ARG A 78 -11.757 -7.475 -4.410 1.00 0.00 C ATOM 1271 NH1 ARG A 78 -11.381 -6.884 -5.512 1.00 0.00 N ATOM 1272 NH2 ARG A 78 -12.293 -8.663 -4.458 1.00 0.00 N ATOM 0 H ARG A 78 -8.279 -3.378 -5.303 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.622 -5.180 -3.646 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.004 -6.360 -5.112 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.009 -7.100 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.900 -5.219 -2.286 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.106 -4.916 -3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -9.740 -7.799 -2.807 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -10.385 -6.801 -1.519 1.00 0.00 H new ATOM 0 HE ARG A 78 -12.391 -6.413 -2.815 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -10.964 -5.954 -5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.505 -7.352 -6.410 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -12.589 -9.124 -3.598 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -12.416 -9.131 -5.356 1.00 0.00 H new ATOM 1286 N ILE A 79 -5.954 -6.368 -5.944 1.00 0.00 N ATOM 1287 CA ILE A 79 -5.337 -6.651 -7.275 1.00 0.00 C ATOM 1288 C ILE A 79 -5.946 -7.938 -7.838 1.00 0.00 C ATOM 1289 O ILE A 79 -6.550 -8.711 -7.121 1.00 0.00 O ATOM 1290 CB ILE A 79 -3.818 -6.815 -7.132 1.00 0.00 C ATOM 1291 CG1 ILE A 79 -3.488 -8.213 -6.585 1.00 0.00 C ATOM 1292 CG2 ILE A 79 -3.281 -5.760 -6.176 1.00 0.00 C ATOM 1293 CD1 ILE A 79 -2.064 -8.232 -6.019 1.00 0.00 C ATOM 0 H ILE A 79 -5.701 -7.017 -5.199 1.00 0.00 H new ATOM 0 HA ILE A 79 -5.534 -5.819 -7.951 1.00 0.00 H new ATOM 0 HB ILE A 79 -3.354 -6.695 -8.111 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -4.201 -8.486 -5.807 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -3.583 -8.955 -7.378 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -2.202 -5.877 -6.074 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -3.504 -4.767 -6.567 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -3.752 -5.879 -5.200 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -1.839 -9.226 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.355 -7.980 -6.808 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.983 -7.503 -5.212 1.00 0.00 H new ATOM 1305 N ASP A 80 -5.794 -8.179 -9.110 1.00 0.00 N ATOM 1306 CA ASP A 80 -6.367 -9.423 -9.694 1.00 0.00 C ATOM 1307 C ASP A 80 -5.748 -10.633 -8.984 1.00 0.00 C ATOM 1308 O ASP A 80 -4.636 -10.562 -8.500 1.00 0.00 O ATOM 1309 CB ASP A 80 -6.054 -9.478 -11.190 1.00 0.00 C ATOM 1310 CG ASP A 80 -6.971 -8.511 -11.941 1.00 0.00 C ATOM 1311 OD1 ASP A 80 -6.915 -7.327 -11.651 1.00 0.00 O ATOM 1312 OD2 ASP A 80 -7.713 -8.970 -12.794 1.00 0.00 O ATOM 0 H ASP A 80 -5.301 -7.573 -9.766 1.00 0.00 H new ATOM 0 HA ASP A 80 -7.449 -9.434 -9.560 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -5.011 -9.215 -11.364 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -6.193 -10.492 -11.564 1.00 0.00 H new ATOM 1317 N PRO A 81 -6.498 -11.702 -8.928 1.00 0.00 N ATOM 1318 CA PRO A 81 -6.064 -12.945 -8.263 1.00 0.00 C ATOM 1319 C PRO A 81 -5.086 -13.735 -9.140 1.00 0.00 C ATOM 1320 O PRO A 81 -4.052 -14.179 -8.683 1.00 0.00 O ATOM 1321 CB PRO A 81 -7.370 -13.720 -8.069 1.00 0.00 C ATOM 1322 CG PRO A 81 -8.368 -13.163 -9.114 1.00 0.00 C ATOM 1323 CD PRO A 81 -7.847 -11.772 -9.523 1.00 0.00 C ATOM 0 HA PRO A 81 -5.533 -12.759 -7.329 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -7.213 -14.789 -8.214 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -7.753 -13.588 -7.057 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.431 -13.823 -9.979 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -9.371 -13.093 -8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.810 -11.663 -10.607 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.491 -10.978 -9.145 1.00 0.00 H new ATOM 1331 N ALA A 82 -5.406 -13.926 -10.390 1.00 0.00 N ATOM 1332 CA ALA A 82 -4.493 -14.701 -11.279 1.00 0.00 C ATOM 1333 C ALA A 82 -3.488 -13.764 -11.945 1.00 0.00 C ATOM 1334 O ALA A 82 -2.818 -14.130 -12.890 1.00 0.00 O ATOM 1335 CB ALA A 82 -5.313 -15.414 -12.353 1.00 0.00 C ATOM 0 H ALA A 82 -6.257 -13.581 -10.834 1.00 0.00 H new ATOM 0 HA ALA A 82 -3.953 -15.435 -10.681 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -4.647 -15.981 -13.003 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.021 -16.093 -11.879 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.857 -14.677 -12.944 1.00 0.00 H new ATOM 1341 N SER A 83 -3.362 -12.567 -11.456 1.00 0.00 N ATOM 1342 CA SER A 83 -2.384 -11.625 -12.057 1.00 0.00 C ATOM 1343 C SER A 83 -1.357 -11.243 -10.998 1.00 0.00 C ATOM 1344 O SER A 83 -0.374 -10.607 -11.287 1.00 0.00 O ATOM 1345 CB SER A 83 -3.102 -10.364 -12.537 1.00 0.00 C ATOM 1346 OG SER A 83 -4.323 -10.726 -13.170 1.00 0.00 O ATOM 0 H SER A 83 -3.893 -12.200 -10.667 1.00 0.00 H new ATOM 0 HA SER A 83 -1.893 -12.102 -12.906 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.299 -9.702 -11.694 1.00 0.00 H new ATOM 0 HB3 SER A 83 -2.468 -9.814 -13.233 1.00 0.00 H new ATOM 0 HG SER A 83 -4.706 -9.941 -13.615 1.00 0.00 H new ATOM 1352 N GLU A 84 -1.584 -11.621 -9.770 1.00 0.00 N ATOM 1353 CA GLU A 84 -0.626 -11.265 -8.687 1.00 0.00 C ATOM 1354 C GLU A 84 0.760 -11.829 -8.999 1.00 0.00 C ATOM 1355 O GLU A 84 1.756 -11.329 -8.517 1.00 0.00 O ATOM 1356 CB GLU A 84 -1.135 -11.840 -7.356 1.00 0.00 C ATOM 1357 CG GLU A 84 0.015 -11.928 -6.346 1.00 0.00 C ATOM 1358 CD GLU A 84 -0.536 -12.314 -4.971 1.00 0.00 C ATOM 1359 OE1 GLU A 84 -1.106 -13.387 -4.863 1.00 0.00 O ATOM 1360 OE2 GLU A 84 -0.375 -11.532 -4.048 1.00 0.00 O ATOM 0 H GLU A 84 -2.394 -12.163 -9.470 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.551 -10.180 -8.615 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -1.931 -11.209 -6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -1.563 -12.829 -7.518 1.00 0.00 H new ATOM 0 HG2 GLU A 84 0.746 -12.666 -6.676 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.533 -10.971 -6.286 1.00 0.00 H new ATOM 1367 N ALA A 85 0.846 -12.862 -9.785 1.00 0.00 N ATOM 1368 CA ALA A 85 2.187 -13.432 -10.095 1.00 0.00 C ATOM 1369 C ALA A 85 2.861 -12.612 -11.201 1.00 0.00 C ATOM 1370 O ALA A 85 4.068 -12.612 -11.333 1.00 0.00 O ATOM 1371 CB ALA A 85 2.032 -14.885 -10.548 1.00 0.00 C ATOM 0 H ALA A 85 0.055 -13.334 -10.224 1.00 0.00 H new ATOM 0 HA ALA A 85 2.808 -13.396 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 85 3.013 -15.302 -10.775 1.00 0.00 H new ATOM 0 HB2 ALA A 85 1.566 -15.466 -9.753 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.407 -14.923 -11.440 1.00 0.00 H new ATOM 1377 N LYS A 86 2.097 -11.913 -11.998 1.00 0.00 N ATOM 1378 CA LYS A 86 2.710 -11.101 -13.087 1.00 0.00 C ATOM 1379 C LYS A 86 2.965 -9.672 -12.595 1.00 0.00 C ATOM 1380 O LYS A 86 3.920 -9.034 -12.991 1.00 0.00 O ATOM 1381 CB LYS A 86 1.770 -11.070 -14.294 1.00 0.00 C ATOM 1382 CG LYS A 86 0.350 -10.736 -13.838 1.00 0.00 C ATOM 1383 CD LYS A 86 -0.523 -10.458 -15.065 1.00 0.00 C ATOM 1384 CE LYS A 86 -0.851 -8.964 -15.133 1.00 0.00 C ATOM 1385 NZ LYS A 86 -0.997 -8.549 -16.556 1.00 0.00 N ATOM 0 H LYS A 86 1.079 -11.870 -11.942 1.00 0.00 H new ATOM 0 HA LYS A 86 3.659 -11.551 -13.377 1.00 0.00 H new ATOM 0 HB2 LYS A 86 2.114 -10.328 -15.015 1.00 0.00 H new ATOM 0 HB3 LYS A 86 1.781 -12.035 -14.800 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.064 -11.564 -13.263 1.00 0.00 H new ATOM 0 HG3 LYS A 86 0.362 -9.866 -13.181 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.003 -10.768 -15.972 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.443 -11.041 -15.009 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.772 -8.758 -14.587 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -0.061 -8.386 -14.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.220 -7.534 -16.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.108 -8.731 -17.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.766 -9.092 -16.999 1.00 0.00 H new ATOM 1399 N LEU A 87 2.124 -9.162 -11.736 1.00 0.00 N ATOM 1400 CA LEU A 87 2.334 -7.776 -11.229 1.00 0.00 C ATOM 1401 C LEU A 87 3.472 -7.770 -10.229 1.00 0.00 C ATOM 1402 O LEU A 87 4.357 -6.941 -10.271 1.00 0.00 O ATOM 1403 CB LEU A 87 1.067 -7.225 -10.554 1.00 0.00 C ATOM 1404 CG LEU A 87 0.284 -8.311 -9.797 1.00 0.00 C ATOM 1405 CD1 LEU A 87 0.185 -7.945 -8.321 1.00 0.00 C ATOM 1406 CD2 LEU A 87 -1.138 -8.388 -10.352 1.00 0.00 C ATOM 0 H LEU A 87 1.304 -9.643 -11.365 1.00 0.00 H new ATOM 0 HA LEU A 87 2.574 -7.139 -12.081 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.345 -6.431 -9.860 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.422 -6.777 -11.310 1.00 0.00 H new ATOM 0 HG LEU A 87 0.801 -9.263 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.371 -8.718 -7.791 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.186 -7.864 -7.898 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.332 -6.991 -8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.696 -9.157 -9.818 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -1.632 -7.425 -10.222 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.102 -8.637 -11.413 1.00 0.00 H new ATOM 1418 N VAL A 88 3.450 -8.691 -9.330 1.00 0.00 N ATOM 1419 CA VAL A 88 4.519 -8.765 -8.315 1.00 0.00 C ATOM 1420 C VAL A 88 5.893 -8.726 -8.984 1.00 0.00 C ATOM 1421 O VAL A 88 6.864 -8.281 -8.406 1.00 0.00 O ATOM 1422 CB VAL A 88 4.384 -10.078 -7.590 1.00 0.00 C ATOM 1423 CG1 VAL A 88 3.127 -10.072 -6.720 1.00 0.00 C ATOM 1424 CG2 VAL A 88 4.302 -11.205 -8.621 1.00 0.00 C ATOM 0 H VAL A 88 2.728 -9.408 -9.251 1.00 0.00 H new ATOM 0 HA VAL A 88 4.429 -7.920 -7.632 1.00 0.00 H new ATOM 0 HB VAL A 88 5.249 -10.231 -6.945 1.00 0.00 H new ATOM 0 HG11 VAL A 88 3.040 -11.026 -6.201 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.194 -9.266 -5.989 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.250 -9.920 -7.349 1.00 0.00 H new ATOM 0 HG21 VAL A 88 4.204 -12.161 -8.108 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.436 -11.048 -9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 88 5.208 -11.210 -9.227 1.00 0.00 H new ATOM 1434 N GLU A 89 5.986 -9.206 -10.189 1.00 0.00 N ATOM 1435 CA GLU A 89 7.305 -9.209 -10.884 1.00 0.00 C ATOM 1436 C GLU A 89 7.867 -7.790 -10.884 1.00 0.00 C ATOM 1437 O GLU A 89 9.029 -7.571 -10.603 1.00 0.00 O ATOM 1438 CB GLU A 89 7.121 -9.690 -12.326 1.00 0.00 C ATOM 1439 CG GLU A 89 6.642 -11.143 -12.322 1.00 0.00 C ATOM 1440 CD GLU A 89 7.259 -11.887 -13.506 1.00 0.00 C ATOM 1441 OE1 GLU A 89 6.698 -11.808 -14.586 1.00 0.00 O ATOM 1442 OE2 GLU A 89 8.281 -12.523 -13.314 1.00 0.00 O ATOM 0 H GLU A 89 5.210 -9.596 -10.724 1.00 0.00 H new ATOM 0 HA GLU A 89 7.994 -9.878 -10.369 1.00 0.00 H new ATOM 0 HB2 GLU A 89 6.397 -9.059 -12.842 1.00 0.00 H new ATOM 0 HB3 GLU A 89 8.061 -9.607 -12.871 1.00 0.00 H new ATOM 0 HG2 GLU A 89 6.924 -11.628 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 89 5.554 -11.179 -12.383 1.00 0.00 H new ATOM 1449 N GLN A 90 7.050 -6.821 -11.180 1.00 0.00 N ATOM 1450 CA GLN A 90 7.533 -5.414 -11.177 1.00 0.00 C ATOM 1451 C GLN A 90 7.516 -4.888 -9.739 1.00 0.00 C ATOM 1452 O GLN A 90 8.096 -3.865 -9.433 1.00 0.00 O ATOM 1453 CB GLN A 90 6.614 -4.556 -12.047 1.00 0.00 C ATOM 1454 CG GLN A 90 6.722 -5.007 -13.504 1.00 0.00 C ATOM 1455 CD GLN A 90 5.320 -5.206 -14.086 1.00 0.00 C ATOM 1456 OE1 GLN A 90 5.058 -6.192 -14.746 1.00 0.00 O ATOM 1457 NE2 GLN A 90 4.401 -4.305 -13.867 1.00 0.00 N ATOM 0 H GLN A 90 6.067 -6.942 -11.424 1.00 0.00 H new ATOM 0 HA GLN A 90 8.547 -5.369 -11.575 1.00 0.00 H new ATOM 0 HB2 GLN A 90 5.583 -4.645 -11.703 1.00 0.00 H new ATOM 0 HB3 GLN A 90 6.890 -3.505 -11.959 1.00 0.00 H new ATOM 0 HG2 GLN A 90 7.266 -4.263 -14.086 1.00 0.00 H new ATOM 0 HG3 GLN A 90 7.288 -5.937 -13.566 1.00 0.00 H new ATOM 0 HE21 GLN A 90 4.620 -3.477 -13.313 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.464 -4.429 -14.250 1.00 0.00 H new ATOM 1466 N ALA A 91 6.849 -5.582 -8.856 1.00 0.00 N ATOM 1467 CA ALA A 91 6.786 -5.127 -7.439 1.00 0.00 C ATOM 1468 C ALA A 91 8.188 -5.124 -6.822 1.00 0.00 C ATOM 1469 O ALA A 91 8.580 -4.183 -6.160 1.00 0.00 O ATOM 1470 CB ALA A 91 5.875 -6.055 -6.637 1.00 0.00 C ATOM 0 H ALA A 91 6.345 -6.446 -9.056 1.00 0.00 H new ATOM 0 HA ALA A 91 6.384 -4.114 -7.413 1.00 0.00 H new ATOM 0 HB1 ALA A 91 5.833 -5.718 -5.601 1.00 0.00 H new ATOM 0 HB2 ALA A 91 4.873 -6.040 -7.065 1.00 0.00 H new ATOM 0 HB3 ALA A 91 6.269 -7.071 -6.672 1.00 0.00 H new ATOM 1476 N PHE A 92 8.948 -6.167 -7.027 1.00 0.00 N ATOM 1477 CA PHE A 92 10.322 -6.212 -6.443 1.00 0.00 C ATOM 1478 C PHE A 92 11.313 -5.538 -7.395 1.00 0.00 C ATOM 1479 O PHE A 92 12.508 -5.743 -7.306 1.00 0.00 O ATOM 1480 CB PHE A 92 10.744 -7.667 -6.229 1.00 0.00 C ATOM 1481 CG PHE A 92 9.655 -8.413 -5.499 1.00 0.00 C ATOM 1482 CD1 PHE A 92 9.088 -7.867 -4.342 1.00 0.00 C ATOM 1483 CD2 PHE A 92 9.215 -9.652 -5.978 1.00 0.00 C ATOM 1484 CE1 PHE A 92 8.080 -8.560 -3.663 1.00 0.00 C ATOM 1485 CE2 PHE A 92 8.206 -10.346 -5.300 1.00 0.00 C ATOM 1486 CZ PHE A 92 7.639 -9.800 -4.143 1.00 0.00 C ATOM 0 H PHE A 92 8.679 -6.987 -7.571 1.00 0.00 H new ATOM 0 HA PHE A 92 10.318 -5.686 -5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 92 10.942 -8.143 -7.189 1.00 0.00 H new ATOM 0 HB3 PHE A 92 11.671 -7.706 -5.657 1.00 0.00 H new ATOM 0 HD1 PHE A 92 9.429 -6.911 -3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 92 9.654 -10.073 -6.871 1.00 0.00 H new ATOM 0 HE1 PHE A 92 7.642 -8.139 -2.770 1.00 0.00 H new ATOM 0 HE2 PHE A 92 7.865 -11.302 -5.669 1.00 0.00 H new ATOM 0 HZ PHE A 92 6.861 -10.335 -3.620 1.00 0.00 H new ATOM 1496 N ARG A 93 10.832 -4.738 -8.305 1.00 0.00 N ATOM 1497 CA ARG A 93 11.755 -4.059 -9.258 1.00 0.00 C ATOM 1498 C ARG A 93 11.816 -2.565 -8.937 1.00 0.00 C ATOM 1499 O ARG A 93 11.288 -2.110 -7.942 1.00 0.00 O ATOM 1500 CB ARG A 93 11.245 -4.252 -10.687 1.00 0.00 C ATOM 1501 CG ARG A 93 12.350 -4.869 -11.547 1.00 0.00 C ATOM 1502 CD ARG A 93 11.817 -6.124 -12.242 1.00 0.00 C ATOM 1503 NE ARG A 93 12.907 -6.745 -13.047 1.00 0.00 N ATOM 1504 CZ ARG A 93 13.471 -7.848 -12.640 1.00 0.00 C ATOM 1505 NH1 ARG A 93 14.436 -7.801 -11.762 1.00 0.00 N ATOM 1506 NH2 ARG A 93 13.071 -8.998 -13.110 1.00 0.00 N ATOM 0 H ARG A 93 9.842 -4.525 -8.430 1.00 0.00 H new ATOM 0 HA ARG A 93 12.752 -4.490 -9.165 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.367 -4.898 -10.686 1.00 0.00 H new ATOM 0 HB3 ARG A 93 10.936 -3.294 -11.106 1.00 0.00 H new ATOM 0 HG2 ARG A 93 12.693 -4.148 -12.289 1.00 0.00 H new ATOM 0 HG3 ARG A 93 13.210 -5.122 -10.926 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.447 -6.834 -11.502 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.976 -5.867 -12.886 1.00 0.00 H new ATOM 0 HE ARG A 93 13.212 -6.307 -13.916 1.00 0.00 H new ATOM 0 HH11 ARG A 93 14.748 -6.902 -11.395 1.00 0.00 H new ATOM 0 HH12 ARG A 93 14.878 -8.663 -11.443 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.317 -9.034 -13.796 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.512 -9.861 -12.791 1.00 0.00 H new ATOM 1520 N LYS A 94 12.457 -1.798 -9.776 1.00 0.00 N ATOM 1521 CA LYS A 94 12.553 -0.332 -9.527 1.00 0.00 C ATOM 1522 C LYS A 94 11.918 0.417 -10.700 1.00 0.00 C ATOM 1523 O LYS A 94 11.269 -0.171 -11.543 1.00 0.00 O ATOM 1524 CB LYS A 94 14.025 0.071 -9.404 1.00 0.00 C ATOM 1525 CG LYS A 94 14.364 0.330 -7.934 1.00 0.00 C ATOM 1526 CD LYS A 94 15.679 -0.368 -7.582 1.00 0.00 C ATOM 1527 CE LYS A 94 16.473 0.504 -6.608 1.00 0.00 C ATOM 1528 NZ LYS A 94 15.860 0.419 -5.253 1.00 0.00 N ATOM 0 H LYS A 94 12.919 -2.124 -10.625 1.00 0.00 H new ATOM 0 HA LYS A 94 12.031 -0.082 -8.603 1.00 0.00 H new ATOM 0 HB2 LYS A 94 14.663 -0.718 -9.802 1.00 0.00 H new ATOM 0 HB3 LYS A 94 14.218 0.966 -9.996 1.00 0.00 H new ATOM 0 HG2 LYS A 94 14.449 1.401 -7.753 1.00 0.00 H new ATOM 0 HG3 LYS A 94 13.562 -0.039 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 94 15.478 -1.342 -7.135 1.00 0.00 H new ATOM 0 HD3 LYS A 94 16.262 -0.546 -8.486 1.00 0.00 H new ATOM 0 HE2 LYS A 94 17.511 0.174 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 94 16.480 1.538 -6.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 16.399 1.012 -4.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 14.876 0.754 -5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 15.876 -0.568 -4.926 1.00 0.00 H new ATOM 1542 N ARG A 95 12.097 1.706 -10.764 1.00 0.00 N ATOM 1543 CA ARG A 95 11.501 2.482 -11.887 1.00 0.00 C ATOM 1544 C ARG A 95 12.387 2.342 -13.127 1.00 0.00 C ATOM 1545 O ARG A 95 13.302 3.114 -13.340 1.00 0.00 O ATOM 1546 CB ARG A 95 11.399 3.958 -11.495 1.00 0.00 C ATOM 1547 CG ARG A 95 10.182 4.585 -12.177 1.00 0.00 C ATOM 1548 CD ARG A 95 10.233 6.106 -12.015 1.00 0.00 C ATOM 1549 NE ARG A 95 10.889 6.711 -13.209 1.00 0.00 N ATOM 1550 CZ ARG A 95 10.277 7.641 -13.889 1.00 0.00 C ATOM 1551 NH1 ARG A 95 10.250 8.866 -13.441 1.00 0.00 N ATOM 1552 NH2 ARG A 95 9.691 7.347 -15.017 1.00 0.00 N ATOM 0 H ARG A 95 12.629 2.255 -10.089 1.00 0.00 H new ATOM 0 HA ARG A 95 10.505 2.098 -12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 95 11.311 4.052 -10.413 1.00 0.00 H new ATOM 0 HB3 ARG A 95 12.306 4.487 -11.789 1.00 0.00 H new ATOM 0 HG2 ARG A 95 10.169 4.322 -13.235 1.00 0.00 H new ATOM 0 HG3 ARG A 95 9.264 4.193 -11.739 1.00 0.00 H new ATOM 0 HD2 ARG A 95 9.225 6.504 -11.900 1.00 0.00 H new ATOM 0 HD3 ARG A 95 10.784 6.368 -11.112 1.00 0.00 H new ATOM 0 HE ARG A 95 11.817 6.398 -13.494 1.00 0.00 H new ATOM 0 HH11 ARG A 95 10.707 9.097 -12.559 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.771 9.593 -13.973 1.00 0.00 H new ATOM 0 HH21 ARG A 95 9.711 6.389 -15.368 1.00 0.00 H new ATOM 0 HH22 ARG A 95 9.213 8.075 -15.548 1.00 0.00 H new ATOM 1566 N ARG A 96 12.125 1.360 -13.947 1.00 0.00 N ATOM 1567 CA ARG A 96 12.953 1.169 -15.172 1.00 0.00 C ATOM 1568 C ARG A 96 12.043 1.150 -16.402 1.00 0.00 C ATOM 1569 O ARG A 96 10.882 1.503 -16.335 1.00 0.00 O ATOM 1570 CB ARG A 96 13.707 -0.160 -15.076 1.00 0.00 C ATOM 1571 CG ARG A 96 15.212 0.098 -15.168 1.00 0.00 C ATOM 1572 CD ARG A 96 15.955 -0.869 -14.246 1.00 0.00 C ATOM 1573 NE ARG A 96 16.658 -1.896 -15.065 1.00 0.00 N ATOM 1574 CZ ARG A 96 16.004 -2.565 -15.975 1.00 0.00 C ATOM 1575 NH1 ARG A 96 15.198 -3.529 -15.623 1.00 0.00 N ATOM 1576 NH2 ARG A 96 16.156 -2.270 -17.237 1.00 0.00 N ATOM 0 H ARG A 96 11.373 0.682 -13.821 1.00 0.00 H new ATOM 0 HA ARG A 96 13.668 1.987 -15.260 1.00 0.00 H new ATOM 0 HB2 ARG A 96 13.470 -0.658 -14.136 1.00 0.00 H new ATOM 0 HB3 ARG A 96 13.392 -0.827 -15.878 1.00 0.00 H new ATOM 0 HG2 ARG A 96 15.551 -0.031 -16.196 1.00 0.00 H new ATOM 0 HG3 ARG A 96 15.433 1.127 -14.886 1.00 0.00 H new ATOM 0 HD2 ARG A 96 16.673 -0.324 -13.633 1.00 0.00 H new ATOM 0 HD3 ARG A 96 15.253 -1.350 -13.565 1.00 0.00 H new ATOM 0 HE ARG A 96 17.651 -2.076 -14.914 1.00 0.00 H new ATOM 0 HH11 ARG A 96 15.079 -3.760 -14.637 1.00 0.00 H new ATOM 0 HH12 ARG A 96 14.687 -4.052 -16.334 1.00 0.00 H new ATOM 0 HH21 ARG A 96 16.786 -1.517 -17.512 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.645 -2.793 -17.948 1.00 0.00 H new ATOM 1590 N GLN A 97 12.562 0.740 -17.527 1.00 0.00 N ATOM 1591 CA GLN A 97 11.728 0.698 -18.761 1.00 0.00 C ATOM 1592 C GLN A 97 11.324 -0.749 -19.052 1.00 0.00 C ATOM 1593 O GLN A 97 11.750 -1.668 -18.383 1.00 0.00 O ATOM 1594 CB GLN A 97 12.530 1.252 -19.939 1.00 0.00 C ATOM 1595 CG GLN A 97 12.282 2.756 -20.065 1.00 0.00 C ATOM 1596 CD GLN A 97 13.385 3.386 -20.919 1.00 0.00 C ATOM 1597 OE1 GLN A 97 14.426 3.753 -20.412 1.00 0.00 O ATOM 1598 NE2 GLN A 97 13.198 3.528 -22.203 1.00 0.00 N ATOM 0 H GLN A 97 13.527 0.432 -17.645 1.00 0.00 H new ATOM 0 HA GLN A 97 10.833 1.303 -18.617 1.00 0.00 H new ATOM 0 HB2 GLN A 97 13.593 1.059 -19.791 1.00 0.00 H new ATOM 0 HB3 GLN A 97 12.239 0.747 -20.860 1.00 0.00 H new ATOM 0 HG2 GLN A 97 11.308 2.938 -20.519 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.265 3.216 -19.077 1.00 0.00 H new ATOM 0 HE21 GLN A 97 12.324 3.220 -22.628 1.00 0.00 H new ATOM 0 HE22 GLN A 97 13.926 3.947 -22.781 1.00 0.00 H new ATOM 1607 N ARG A 98 10.505 -0.959 -20.046 1.00 0.00 N ATOM 1608 CA ARG A 98 10.077 -2.350 -20.375 1.00 0.00 C ATOM 1609 C ARG A 98 11.139 -3.015 -21.251 1.00 0.00 C ATOM 1610 O ARG A 98 11.639 -2.429 -22.191 1.00 0.00 O ATOM 1611 CB ARG A 98 8.744 -2.319 -21.129 1.00 0.00 C ATOM 1612 CG ARG A 98 7.592 -2.242 -20.124 1.00 0.00 C ATOM 1613 CD ARG A 98 6.274 -2.562 -20.833 1.00 0.00 C ATOM 1614 NE ARG A 98 6.315 -2.029 -22.224 1.00 0.00 N ATOM 1615 CZ ARG A 98 5.642 -0.954 -22.530 1.00 0.00 C ATOM 1616 NH1 ARG A 98 6.183 0.223 -22.363 1.00 0.00 N ATOM 1617 NH2 ARG A 98 4.429 -1.054 -23.000 1.00 0.00 N ATOM 0 H ARG A 98 10.114 -0.231 -20.643 1.00 0.00 H new ATOM 0 HA ARG A 98 9.955 -2.916 -19.451 1.00 0.00 H new ATOM 0 HB2 ARG A 98 8.713 -1.461 -21.800 1.00 0.00 H new ATOM 0 HB3 ARG A 98 8.643 -3.211 -21.747 1.00 0.00 H new ATOM 0 HG2 ARG A 98 7.759 -2.946 -19.309 1.00 0.00 H new ATOM 0 HG3 ARG A 98 7.547 -1.247 -19.682 1.00 0.00 H new ATOM 0 HD2 ARG A 98 6.110 -3.640 -20.850 1.00 0.00 H new ATOM 0 HD3 ARG A 98 5.439 -2.121 -20.288 1.00 0.00 H new ATOM 0 HE ARG A 98 6.869 -2.504 -22.936 1.00 0.00 H new ATOM 0 HH11 ARG A 98 7.131 0.301 -21.994 1.00 0.00 H new ATOM 0 HH12 ARG A 98 5.658 1.064 -22.602 1.00 0.00 H new ATOM 0 HH21 ARG A 98 4.006 -1.973 -23.128 1.00 0.00 H new ATOM 0 HH22 ARG A 98 3.904 -0.213 -23.239 1.00 0.00 H new ATOM 1631 N GLY A 99 11.487 -4.236 -20.952 1.00 0.00 N ATOM 1632 CA GLY A 99 12.517 -4.938 -21.769 1.00 0.00 C ATOM 1633 C GLY A 99 12.144 -6.415 -21.897 1.00 0.00 C ATOM 1634 O GLY A 99 12.913 -7.291 -21.557 1.00 0.00 O ATOM 0 H GLY A 99 11.103 -4.778 -20.178 1.00 0.00 H new ATOM 0 HA2 GLY A 99 12.586 -4.482 -22.757 1.00 0.00 H new ATOM 0 HA3 GLY A 99 13.497 -4.838 -21.303 1.00 0.00 H new ATOM 1638 N VAL A 100 10.968 -6.698 -22.384 1.00 0.00 N ATOM 1639 CA VAL A 100 10.546 -8.118 -22.533 1.00 0.00 C ATOM 1640 C VAL A 100 9.571 -8.241 -23.705 1.00 0.00 C ATOM 1641 O VAL A 100 8.573 -7.549 -23.770 1.00 0.00 O ATOM 1642 CB VAL A 100 9.857 -8.582 -21.249 1.00 0.00 C ATOM 1643 CG1 VAL A 100 10.855 -8.545 -20.089 1.00 0.00 C ATOM 1644 CG2 VAL A 100 8.683 -7.650 -20.938 1.00 0.00 C ATOM 0 H VAL A 100 10.281 -6.007 -22.685 1.00 0.00 H new ATOM 0 HA VAL A 100 11.422 -8.739 -22.722 1.00 0.00 H new ATOM 0 HB VAL A 100 9.492 -9.601 -21.381 1.00 0.00 H new ATOM 0 HG11 VAL A 100 10.363 -8.876 -19.175 1.00 0.00 H new ATOM 0 HG12 VAL A 100 11.693 -9.206 -20.309 1.00 0.00 H new ATOM 0 HG13 VAL A 100 11.221 -7.527 -19.956 1.00 0.00 H new ATOM 0 HG21 VAL A 100 8.190 -7.979 -20.023 1.00 0.00 H new ATOM 0 HG22 VAL A 100 9.051 -6.633 -20.807 1.00 0.00 H new ATOM 0 HG23 VAL A 100 7.971 -7.674 -21.763 1.00 0.00 H new ATOM 1654 N SER A 101 9.849 -9.116 -24.632 1.00 0.00 N ATOM 1655 CA SER A 101 8.936 -9.282 -25.798 1.00 0.00 C ATOM 1656 C SER A 101 8.696 -10.772 -26.046 1.00 0.00 C ATOM 1657 O SER A 101 9.309 -11.306 -26.956 1.00 0.00 O ATOM 1658 CB SER A 101 9.570 -8.653 -27.038 1.00 0.00 C ATOM 1659 OG SER A 101 8.722 -7.623 -27.528 1.00 0.00 O ATOM 1660 OXT SER A 101 7.905 -11.354 -25.323 1.00 0.00 O ATOM 0 H SER A 101 10.669 -9.723 -24.632 1.00 0.00 H new ATOM 0 HA SER A 101 7.986 -8.790 -25.589 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.551 -8.246 -26.792 1.00 0.00 H new ATOM 0 HB3 SER A 101 9.723 -9.411 -27.807 1.00 0.00 H new ATOM 0 HG SER A 101 9.127 -7.216 -28.322 1.00 0.00 H new TER 1666 SER A 101