USER MOD reduce.3.24.130724 H: found=0, std=0, add=1103, rem=0, adj=43 USER MOD reduce.3.24.130724 removed 1097 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 127 GLN : amide:sc= -0.0397 X(o=-3.3,f=-3.7) USER MOD Set 1.2: A 129 HIS : no HD1:sc= -3.29! K(o=-3.3!,f=-4.2) USER MOD Set 2.1: A 55 HIS : no HD1:sc= -10.1! C(o=-14!,f=-17!) USER MOD Set 2.2: A 119 MET CE :methyl 179:sc= -3.42 (180deg=-1.79) USER MOD Set 3.1: A 111 GLN : amide:sc= 0 X(o=0.27,f=0.19) USER MOD Set 3.2: A 115 LYS NZ :NH3+ -138:sc= 0.272 (180deg=0.0505) USER MOD Set 4.1: A 103 ASN : amide:sc= -2.52 K(o=-2.5,f=-6.1!) USER MOD Set 4.2: A 110 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 29 HIS :FLIP no HD1:sc= -0.825 F(o=-3.6!,f=-1.1) USER MOD Set 5.2: A 102 TYR OH : rot 83:sc= -0.265 USER MOD Single : A 1 GLY N :NH3+ -126:sc= 0.0921 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 31:sc= 0.118 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0458) USER MOD Single : A 18 SER OG : rot 180:sc= -0.826 USER MOD Single : A 19 ASN : amide:sc= -1.45 K(o=-1.4,f=-9.5!) USER MOD Single : A 20 LYS NZ :NH3+ -162:sc= -0.291 (180deg=-0.863) USER MOD Single : A 24 HIS :FLIP no HD1:sc= -1.54 F(o=-2.5!,f=-1.5) USER MOD Single : A 25 ASN : amide:sc= -0.0489 X(o=-0.049,f=-0.27) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -3.94! X(o=-3.9!,f=-3.8) USER MOD Single : A 40 GLN : amide:sc= -0.324 X(o=-0.32,f=-0.33) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0.887 K(o=0.89,f=-0.91) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 90:sc= -0.992 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -3.77 K(o=-3.8,f=-10!) USER MOD Single : A 63 SER OG : rot 180:sc= 0.472 USER MOD Single : A 64 SER OG : rot -52:sc= 0.49 USER MOD Single : A 65 CYS SG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot -70:sc= -2.21 USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.105 USER MOD Single : A 74 SER OG : rot -90:sc= 0.00184 USER MOD Single : A 77 THR OG1 : rot -179:sc= -0.087 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 180:sc=0.000145 USER MOD Single : A 95 MET CE :methyl -161:sc= -1.1 (180deg=-2.48!) USER MOD Single : A 100 TYR OH : rot 180:sc= -1.08 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 35:sc= -0.0537 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 MET CE :methyl 174:sc= -0.884 (180deg=-0.988) USER MOD Single : A 118 SER OG : rot 25:sc= 0.953 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot 34:sc= 0.115 USER MOD Single : A 132 GLN : amide:sc= -0.0443 X(o=-0.044,f=-0.24) USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 SER OG : rot 35:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.432 25.272 16.615 1.00 0.00 N ATOM 2 CA GLY A 1 8.269 25.381 15.750 1.00 0.00 C ATOM 3 C GLY A 1 8.684 25.433 14.278 1.00 0.00 C ATOM 4 O GLY A 1 9.798 25.047 13.930 1.00 0.00 O ATOM 0 H1 GLY A 1 9.322 24.451 17.243 1.00 0.00 H new ATOM 0 H2 GLY A 1 10.286 25.151 16.034 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.521 26.136 17.187 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.607 24.531 15.915 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.705 26.278 16.004 1.00 0.00 H new ATOM 8 N SER A 2 7.764 25.913 13.455 1.00 0.00 N ATOM 9 CA SER A 2 8.019 26.020 12.028 1.00 0.00 C ATOM 10 C SER A 2 8.934 27.214 11.749 1.00 0.00 C ATOM 11 O SER A 2 8.512 28.364 11.864 1.00 0.00 O ATOM 12 CB SER A 2 6.713 26.156 11.243 1.00 0.00 C ATOM 13 OG SER A 2 5.978 24.936 11.214 1.00 0.00 O ATOM 0 H SER A 2 6.841 26.232 13.749 1.00 0.00 H new ATOM 0 HA SER A 2 8.514 25.106 11.699 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.100 26.938 11.692 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.934 26.470 10.223 1.00 0.00 H new ATOM 0 HG SER A 2 5.150 25.065 10.705 1.00 0.00 H new ATOM 19 N SER A 3 10.169 26.901 11.386 1.00 0.00 N ATOM 20 CA SER A 3 11.147 27.934 11.089 1.00 0.00 C ATOM 21 C SER A 3 12.171 27.410 10.081 1.00 0.00 C ATOM 22 O SER A 3 12.923 26.483 10.378 1.00 0.00 O ATOM 23 CB SER A 3 11.850 28.409 12.362 1.00 0.00 C ATOM 24 OG SER A 3 11.171 29.506 12.969 1.00 0.00 O ATOM 0 H SER A 3 10.515 25.946 11.291 1.00 0.00 H new ATOM 0 HA SER A 3 10.624 28.786 10.656 1.00 0.00 H new ATOM 0 HB2 SER A 3 11.912 27.584 13.071 1.00 0.00 H new ATOM 0 HB3 SER A 3 12.872 28.702 12.124 1.00 0.00 H new ATOM 0 HG SER A 3 10.210 29.437 12.788 1.00 0.00 H new ATOM 30 N GLY A 4 12.169 28.027 8.908 1.00 0.00 N ATOM 31 CA GLY A 4 13.089 27.635 7.854 1.00 0.00 C ATOM 32 C GLY A 4 12.725 26.259 7.293 1.00 0.00 C ATOM 33 O GLY A 4 12.948 25.240 7.944 1.00 0.00 O ATOM 0 H GLY A 4 11.544 28.796 8.665 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.068 28.375 7.054 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.107 27.615 8.243 1.00 0.00 H new ATOM 37 N SER A 5 12.171 26.275 6.089 1.00 0.00 N ATOM 38 CA SER A 5 11.774 25.041 5.432 1.00 0.00 C ATOM 39 C SER A 5 12.085 25.121 3.936 1.00 0.00 C ATOM 40 O SER A 5 11.299 25.668 3.164 1.00 0.00 O ATOM 41 CB SER A 5 10.288 24.754 5.651 1.00 0.00 C ATOM 42 OG SER A 5 9.878 23.546 5.015 1.00 0.00 O ATOM 0 H SER A 5 11.988 27.123 5.552 1.00 0.00 H new ATOM 0 HA SER A 5 12.343 24.221 5.871 1.00 0.00 H new ATOM 0 HB2 SER A 5 10.085 24.688 6.720 1.00 0.00 H new ATOM 0 HB3 SER A 5 9.698 25.585 5.265 1.00 0.00 H new ATOM 0 HG SER A 5 8.923 23.397 5.180 1.00 0.00 H new ATOM 48 N SER A 6 13.232 24.567 3.572 1.00 0.00 N ATOM 49 CA SER A 6 13.656 24.569 2.182 1.00 0.00 C ATOM 50 C SER A 6 12.620 23.849 1.318 1.00 0.00 C ATOM 51 O SER A 6 12.163 24.388 0.311 1.00 0.00 O ATOM 52 CB SER A 6 15.029 23.912 2.024 1.00 0.00 C ATOM 53 OG SER A 6 15.986 24.804 1.459 1.00 0.00 O ATOM 0 H SER A 6 13.881 24.114 4.215 1.00 0.00 H new ATOM 0 HA SER A 6 13.739 25.604 1.851 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.382 23.571 2.997 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.938 23.030 1.391 1.00 0.00 H new ATOM 0 HG SER A 6 16.849 24.348 1.376 1.00 0.00 H new ATOM 59 N GLY A 7 12.279 22.641 1.742 1.00 0.00 N ATOM 60 CA GLY A 7 11.305 21.841 1.020 1.00 0.00 C ATOM 61 C GLY A 7 11.973 21.049 -0.107 1.00 0.00 C ATOM 62 O GLY A 7 13.000 21.467 -0.640 1.00 0.00 O ATOM 0 H GLY A 7 12.660 22.197 2.577 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.811 21.155 1.708 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.532 22.489 0.606 1.00 0.00 H new ATOM 66 N PRO A 8 11.346 19.891 -0.445 1.00 0.00 N ATOM 67 CA PRO A 8 11.869 19.037 -1.498 1.00 0.00 C ATOM 68 C PRO A 8 11.585 19.633 -2.879 1.00 0.00 C ATOM 69 O PRO A 8 10.436 19.920 -3.211 1.00 0.00 O ATOM 70 CB PRO A 8 11.196 17.691 -1.284 1.00 0.00 C ATOM 71 CG PRO A 8 9.981 17.966 -0.413 1.00 0.00 C ATOM 72 CD PRO A 8 10.128 19.364 0.164 1.00 0.00 C ATOM 0 HA PRO A 8 12.954 18.937 -1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.902 17.246 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 8 11.873 16.988 -0.799 1.00 0.00 H new ATOM 0 HG2 PRO A 8 9.066 17.890 -1.000 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.910 17.229 0.387 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.265 19.984 -0.077 1.00 0.00 H new ATOM 0 HD3 PRO A 8 10.208 19.337 1.251 1.00 0.00 H new ATOM 80 N ARG A 9 12.653 19.803 -3.645 1.00 0.00 N ATOM 81 CA ARG A 9 12.533 20.360 -4.982 1.00 0.00 C ATOM 82 C ARG A 9 12.036 19.293 -5.959 1.00 0.00 C ATOM 83 O ARG A 9 12.799 18.805 -6.792 1.00 0.00 O ATOM 84 CB ARG A 9 13.875 20.906 -5.473 1.00 0.00 C ATOM 85 CG ARG A 9 13.905 22.434 -5.403 1.00 0.00 C ATOM 86 CD ARG A 9 14.020 23.045 -6.801 1.00 0.00 C ATOM 87 NE ARG A 9 13.001 24.103 -6.976 1.00 0.00 N ATOM 88 CZ ARG A 9 13.007 24.994 -7.977 1.00 0.00 C ATOM 89 NH1 ARG A 9 13.979 24.959 -8.899 1.00 0.00 N ATOM 90 NH2 ARG A 9 12.041 25.919 -8.057 1.00 0.00 N ATOM 0 H ARG A 9 13.605 19.565 -3.366 1.00 0.00 H new ATOM 0 HA ARG A 9 11.815 21.179 -4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 9 14.682 20.495 -4.867 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.050 20.582 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.999 22.797 -4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.747 22.757 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.017 23.462 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.886 22.271 -7.557 1.00 0.00 H new ATOM 0 HE ARG A 9 12.246 24.158 -6.292 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.714 24.254 -8.839 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.984 25.637 -9.661 1.00 0.00 H new ATOM 0 HH21 ARG A 9 11.301 25.945 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 9 12.046 26.597 -8.819 1.00 0.00 H new ATOM 104 N LEU A 10 10.760 18.962 -5.825 1.00 0.00 N ATOM 105 CA LEU A 10 10.152 17.962 -6.686 1.00 0.00 C ATOM 106 C LEU A 10 10.547 18.237 -8.138 1.00 0.00 C ATOM 107 O LEU A 10 10.408 19.360 -8.621 1.00 0.00 O ATOM 108 CB LEU A 10 8.640 17.907 -6.459 1.00 0.00 C ATOM 109 CG LEU A 10 7.932 16.644 -6.954 1.00 0.00 C ATOM 110 CD1 LEU A 10 6.461 16.641 -6.537 1.00 0.00 C ATOM 111 CD2 LEU A 10 8.100 16.479 -8.466 1.00 0.00 C ATOM 0 H LEU A 10 10.131 19.369 -5.133 1.00 0.00 H new ATOM 0 HA LEU A 10 10.524 16.968 -6.437 1.00 0.00 H new ATOM 0 HB2 LEU A 10 8.449 18.011 -5.391 1.00 0.00 H new ATOM 0 HB3 LEU A 10 8.188 18.769 -6.949 1.00 0.00 H new ATOM 0 HG LEU A 10 8.402 15.781 -6.482 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.981 15.733 -6.901 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.391 16.677 -5.450 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.961 17.511 -6.962 1.00 0.00 H new ATOM 0 HD21 LEU A 10 7.588 15.574 -8.792 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.672 17.342 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 10 9.160 16.403 -8.708 1.00 0.00 H new ATOM 123 N TYR A 11 11.031 17.193 -8.795 1.00 0.00 N ATOM 124 CA TYR A 11 11.447 17.308 -10.182 1.00 0.00 C ATOM 125 C TYR A 11 11.726 15.931 -10.787 1.00 0.00 C ATOM 126 O TYR A 11 11.746 14.929 -10.075 1.00 0.00 O ATOM 127 CB TYR A 11 12.745 18.118 -10.167 1.00 0.00 C ATOM 128 CG TYR A 11 12.905 19.058 -11.364 1.00 0.00 C ATOM 129 CD1 TYR A 11 11.824 19.784 -11.821 1.00 0.00 C ATOM 130 CD2 TYR A 11 14.131 19.181 -11.985 1.00 0.00 C ATOM 131 CE1 TYR A 11 11.975 20.668 -12.947 1.00 0.00 C ATOM 132 CE2 TYR A 11 14.282 20.066 -13.111 1.00 0.00 C ATOM 133 CZ TYR A 11 13.196 20.766 -13.537 1.00 0.00 C ATOM 134 OH TYR A 11 13.339 21.602 -14.600 1.00 0.00 O ATOM 0 H TYR A 11 11.144 16.263 -8.392 1.00 0.00 H new ATOM 0 HA TYR A 11 10.666 17.780 -10.779 1.00 0.00 H new ATOM 0 HB2 TYR A 11 12.785 18.705 -9.249 1.00 0.00 H new ATOM 0 HB3 TYR A 11 13.590 17.430 -10.142 1.00 0.00 H new ATOM 0 HD1 TYR A 11 10.865 19.689 -11.334 1.00 0.00 H new ATOM 0 HD2 TYR A 11 14.977 18.614 -11.627 1.00 0.00 H new ATOM 0 HE1 TYR A 11 11.137 21.241 -13.315 1.00 0.00 H new ATOM 0 HE2 TYR A 11 15.236 20.172 -13.606 1.00 0.00 H new ATOM 0 HH TYR A 11 14.265 21.571 -14.918 1.00 0.00 H new ATOM 144 N LYS A 12 11.935 15.926 -12.096 1.00 0.00 N ATOM 145 CA LYS A 12 12.212 14.689 -12.805 1.00 0.00 C ATOM 146 C LYS A 12 10.993 13.769 -12.712 1.00 0.00 C ATOM 147 O LYS A 12 10.256 13.806 -11.727 1.00 0.00 O ATOM 148 CB LYS A 12 13.503 14.052 -12.287 1.00 0.00 C ATOM 149 CG LYS A 12 14.731 14.722 -12.907 1.00 0.00 C ATOM 150 CD LYS A 12 15.921 13.761 -12.942 1.00 0.00 C ATOM 151 CE LYS A 12 17.034 14.300 -13.843 1.00 0.00 C ATOM 152 NZ LYS A 12 17.374 13.313 -14.893 1.00 0.00 N ATOM 0 H LYS A 12 11.918 16.760 -12.684 1.00 0.00 H new ATOM 0 HA LYS A 12 12.383 14.887 -13.863 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.546 14.139 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 12 13.507 12.988 -12.522 1.00 0.00 H new ATOM 0 HG2 LYS A 12 14.497 15.054 -13.919 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.993 15.611 -12.333 1.00 0.00 H new ATOM 0 HD2 LYS A 12 16.304 13.614 -11.932 1.00 0.00 H new ATOM 0 HD3 LYS A 12 15.595 12.786 -13.304 1.00 0.00 H new ATOM 0 HE2 LYS A 12 16.716 15.235 -14.304 1.00 0.00 H new ATOM 0 HE3 LYS A 12 17.918 14.523 -13.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 18.131 13.694 -15.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.697 12.430 -14.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.533 13.120 -15.474 1.00 0.00 H new ATOM 166 N GLU A 13 10.818 12.964 -13.750 1.00 0.00 N ATOM 167 CA GLU A 13 9.701 12.036 -13.798 1.00 0.00 C ATOM 168 C GLU A 13 10.140 10.708 -14.416 1.00 0.00 C ATOM 169 O GLU A 13 11.090 10.667 -15.197 1.00 0.00 O ATOM 170 CB GLU A 13 8.522 12.636 -14.568 1.00 0.00 C ATOM 171 CG GLU A 13 7.498 13.250 -13.611 1.00 0.00 C ATOM 172 CD GLU A 13 6.274 13.762 -14.374 1.00 0.00 C ATOM 173 OE1 GLU A 13 6.407 14.829 -15.010 1.00 0.00 O ATOM 174 OE2 GLU A 13 5.233 13.074 -14.303 1.00 0.00 O ATOM 0 H GLU A 13 11.431 12.935 -14.564 1.00 0.00 H new ATOM 0 HA GLU A 13 9.368 11.847 -12.778 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.884 13.399 -15.258 1.00 0.00 H new ATOM 0 HB3 GLU A 13 8.045 11.863 -15.170 1.00 0.00 H new ATOM 0 HG2 GLU A 13 7.189 12.506 -12.877 1.00 0.00 H new ATOM 0 HG3 GLU A 13 7.957 14.070 -13.059 1.00 0.00 H new ATOM 181 N PRO A 14 9.410 9.626 -14.034 1.00 0.00 N ATOM 182 CA PRO A 14 9.715 8.300 -14.542 1.00 0.00 C ATOM 183 C PRO A 14 9.247 8.146 -15.990 1.00 0.00 C ATOM 184 O PRO A 14 8.719 9.089 -16.579 1.00 0.00 O ATOM 185 CB PRO A 14 9.017 7.343 -13.588 1.00 0.00 C ATOM 186 CG PRO A 14 7.971 8.170 -12.859 1.00 0.00 C ATOM 187 CD PRO A 14 8.279 9.638 -13.111 1.00 0.00 C ATOM 0 HA PRO A 14 10.786 8.099 -14.575 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.554 6.519 -14.131 1.00 0.00 H new ATOM 0 HB3 PRO A 14 9.726 6.904 -12.886 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.972 7.923 -13.217 1.00 0.00 H new ATOM 0 HG3 PRO A 14 7.990 7.954 -11.791 1.00 0.00 H new ATOM 0 HD2 PRO A 14 7.421 10.154 -13.542 1.00 0.00 H new ATOM 0 HD3 PRO A 14 8.529 10.155 -12.185 1.00 0.00 H new ATOM 195 N SER A 15 9.458 6.952 -16.524 1.00 0.00 N ATOM 196 CA SER A 15 9.065 6.664 -17.892 1.00 0.00 C ATOM 197 C SER A 15 7.844 5.741 -17.903 1.00 0.00 C ATOM 198 O SER A 15 7.974 4.537 -18.116 1.00 0.00 O ATOM 199 CB SER A 15 10.217 6.028 -18.674 1.00 0.00 C ATOM 200 OG SER A 15 10.433 6.675 -19.926 1.00 0.00 O ATOM 0 H SER A 15 9.896 6.173 -16.033 1.00 0.00 H new ATOM 0 HA SER A 15 8.806 7.605 -18.378 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.129 6.076 -18.079 1.00 0.00 H new ATOM 0 HB3 SER A 15 10.002 4.973 -18.843 1.00 0.00 H new ATOM 0 HG SER A 15 11.177 6.242 -20.394 1.00 0.00 H new ATOM 206 N ALA A 16 6.687 6.342 -17.670 1.00 0.00 N ATOM 207 CA ALA A 16 5.444 5.590 -17.650 1.00 0.00 C ATOM 208 C ALA A 16 5.552 4.463 -16.620 1.00 0.00 C ATOM 209 O ALA A 16 6.426 4.489 -15.755 1.00 0.00 O ATOM 210 CB ALA A 16 5.140 5.068 -19.055 1.00 0.00 C ATOM 0 H ALA A 16 6.584 7.341 -17.493 1.00 0.00 H new ATOM 0 HA ALA A 16 4.613 6.230 -17.353 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.207 4.504 -19.040 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.044 5.908 -19.743 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.951 4.419 -19.385 1.00 0.00 H new ATOM 216 N LYS A 17 4.650 3.500 -16.748 1.00 0.00 N ATOM 217 CA LYS A 17 4.633 2.366 -15.839 1.00 0.00 C ATOM 218 C LYS A 17 4.207 2.839 -14.448 1.00 0.00 C ATOM 219 O LYS A 17 4.957 2.697 -13.483 1.00 0.00 O ATOM 220 CB LYS A 17 5.982 1.645 -15.857 1.00 0.00 C ATOM 221 CG LYS A 17 6.105 0.682 -14.674 1.00 0.00 C ATOM 222 CD LYS A 17 6.518 -0.714 -15.144 1.00 0.00 C ATOM 223 CE LYS A 17 6.318 -1.748 -14.034 1.00 0.00 C ATOM 224 NZ LYS A 17 4.885 -2.096 -13.902 1.00 0.00 N ATOM 0 H LYS A 17 3.926 3.482 -17.467 1.00 0.00 H new ATOM 0 HA LYS A 17 3.899 1.628 -16.164 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.092 1.095 -16.791 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.790 2.376 -15.821 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.840 1.063 -13.965 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.153 0.625 -14.146 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.931 -0.996 -16.018 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.564 -0.703 -15.452 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.897 -2.644 -14.255 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.691 -1.353 -13.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.782 -2.904 -13.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.363 -1.280 -13.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.502 -2.348 -14.835 1.00 0.00 H new ATOM 238 N SER A 18 3.005 3.393 -14.388 1.00 0.00 N ATOM 239 CA SER A 18 2.471 3.889 -13.131 1.00 0.00 C ATOM 240 C SER A 18 1.615 2.809 -12.465 1.00 0.00 C ATOM 241 O SER A 18 0.805 2.160 -13.125 1.00 0.00 O ATOM 242 CB SER A 18 1.648 5.161 -13.345 1.00 0.00 C ATOM 243 OG SER A 18 2.366 6.141 -14.090 1.00 0.00 O ATOM 0 H SER A 18 2.386 3.509 -15.190 1.00 0.00 H new ATOM 0 HA SER A 18 3.308 4.136 -12.478 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.725 4.912 -13.868 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.364 5.576 -12.378 1.00 0.00 H new ATOM 0 HG SER A 18 1.807 6.937 -14.207 1.00 0.00 H new ATOM 249 N ASN A 19 1.823 2.652 -11.167 1.00 0.00 N ATOM 250 CA ASN A 19 1.081 1.662 -10.404 1.00 0.00 C ATOM 251 C ASN A 19 0.045 2.371 -9.529 1.00 0.00 C ATOM 252 O ASN A 19 -0.394 1.827 -8.517 1.00 0.00 O ATOM 253 CB ASN A 19 2.009 0.864 -9.486 1.00 0.00 C ATOM 254 CG ASN A 19 2.509 1.729 -8.327 1.00 0.00 C ATOM 255 OD1 ASN A 19 2.687 2.930 -8.446 1.00 0.00 O ATOM 256 ND2 ASN A 19 2.727 1.052 -7.203 1.00 0.00 N ATOM 0 H ASN A 19 2.495 3.194 -10.623 1.00 0.00 H new ATOM 0 HA ASN A 19 0.601 0.983 -11.109 1.00 0.00 H new ATOM 0 HB2 ASN A 19 1.480 -0.005 -9.094 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.858 0.489 -10.058 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.064 1.538 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 19 2.557 0.047 -7.172 1.00 0.00 H new ATOM 263 N LYS A 20 -0.315 3.575 -9.951 1.00 0.00 N ATOM 264 CA LYS A 20 -1.290 4.363 -9.218 1.00 0.00 C ATOM 265 C LYS A 20 -2.652 3.670 -9.282 1.00 0.00 C ATOM 266 O LYS A 20 -3.340 3.549 -8.270 1.00 0.00 O ATOM 267 CB LYS A 20 -1.309 5.804 -9.732 1.00 0.00 C ATOM 268 CG LYS A 20 -2.485 6.583 -9.138 1.00 0.00 C ATOM 269 CD LYS A 20 -2.753 7.862 -9.934 1.00 0.00 C ATOM 270 CE LYS A 20 -2.587 9.101 -9.052 1.00 0.00 C ATOM 271 NZ LYS A 20 -2.610 10.331 -9.876 1.00 0.00 N ATOM 0 H LYS A 20 0.051 4.023 -10.791 1.00 0.00 H new ATOM 0 HA LYS A 20 -1.014 4.427 -8.166 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.373 6.299 -9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.380 5.805 -10.820 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.377 5.957 -9.137 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -2.272 6.835 -8.099 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.068 7.919 -10.780 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.763 7.835 -10.343 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -3.386 9.137 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.647 9.041 -8.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.201 11.119 -9.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -2.053 10.180 -10.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -3.592 10.559 -10.132 1.00 0.00 H new ATOM 285 N PHE A 21 -3.002 3.233 -10.483 1.00 0.00 N ATOM 286 CA PHE A 21 -4.270 2.555 -10.693 1.00 0.00 C ATOM 287 C PHE A 21 -4.297 1.207 -9.970 1.00 0.00 C ATOM 288 O PHE A 21 -5.366 0.704 -9.626 1.00 0.00 O ATOM 289 CB PHE A 21 -4.405 2.315 -12.198 1.00 0.00 C ATOM 290 CG PHE A 21 -4.777 3.566 -12.997 1.00 0.00 C ATOM 291 CD1 PHE A 21 -3.825 4.492 -13.293 1.00 0.00 C ATOM 292 CD2 PHE A 21 -6.059 3.753 -13.411 1.00 0.00 C ATOM 293 CE1 PHE A 21 -4.170 5.653 -14.034 1.00 0.00 C ATOM 294 CE2 PHE A 21 -6.403 4.914 -14.152 1.00 0.00 C ATOM 295 CZ PHE A 21 -5.452 5.840 -14.448 1.00 0.00 C ATOM 0 H PHE A 21 -2.429 3.335 -11.321 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.086 3.163 -10.303 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -3.463 1.920 -12.578 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.163 1.550 -12.367 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -2.807 4.344 -12.964 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -6.815 3.018 -13.176 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.414 6.388 -14.269 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.421 5.062 -14.481 1.00 0.00 H new ATOM 0 HZ PHE A 21 -5.715 6.723 -15.011 1.00 0.00 H new ATOM 305 N ILE A 22 -3.109 0.660 -9.760 1.00 0.00 N ATOM 306 CA ILE A 22 -2.983 -0.620 -9.083 1.00 0.00 C ATOM 307 C ILE A 22 -3.215 -0.424 -7.584 1.00 0.00 C ATOM 308 O ILE A 22 -3.884 -1.235 -6.945 1.00 0.00 O ATOM 309 CB ILE A 22 -1.640 -1.272 -9.417 1.00 0.00 C ATOM 310 CG1 ILE A 22 -1.477 -1.449 -10.928 1.00 0.00 C ATOM 311 CG2 ILE A 22 -1.470 -2.593 -8.664 1.00 0.00 C ATOM 312 CD1 ILE A 22 -0.027 -1.781 -11.288 1.00 0.00 C ATOM 0 H ILE A 22 -2.225 1.080 -10.047 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.745 -1.315 -9.436 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.844 -0.606 -9.083 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -2.134 -2.246 -11.277 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.783 -0.536 -11.440 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.507 -3.036 -8.919 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -1.511 -2.408 -7.591 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -2.270 -3.278 -8.945 1.00 0.00 H new ATOM 0 HD11 ILE A 22 0.061 -1.902 -12.368 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.624 -0.971 -10.959 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.268 -2.707 -10.794 1.00 0.00 H new ATOM 324 N ILE A 23 -2.650 0.657 -7.066 1.00 0.00 N ATOM 325 CA ILE A 23 -2.787 0.969 -5.653 1.00 0.00 C ATOM 326 C ILE A 23 -4.216 1.441 -5.376 1.00 0.00 C ATOM 327 O ILE A 23 -4.771 1.163 -4.314 1.00 0.00 O ATOM 328 CB ILE A 23 -1.714 1.969 -5.219 1.00 0.00 C ATOM 329 CG1 ILE A 23 -0.315 1.364 -5.352 1.00 0.00 C ATOM 330 CG2 ILE A 23 -1.984 2.482 -3.803 1.00 0.00 C ATOM 331 CD1 ILE A 23 -0.255 -0.025 -4.714 1.00 0.00 C ATOM 0 H ILE A 23 -2.097 1.328 -7.599 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.622 0.077 -5.048 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.758 2.829 -5.887 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -0.043 1.296 -6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 23 0.415 2.019 -4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -1.207 3.191 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -2.955 2.977 -3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.983 1.644 -3.106 1.00 0.00 H new ATOM 0 HD11 ILE A 23 0.750 -0.432 -4.823 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.504 0.050 -3.655 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -0.969 -0.684 -5.209 1.00 0.00 H new ATOM 343 N HIS A 24 -4.771 2.147 -6.351 1.00 0.00 N ATOM 344 CA HIS A 24 -6.124 2.661 -6.225 1.00 0.00 C ATOM 345 C HIS A 24 -7.080 1.513 -5.893 1.00 0.00 C ATOM 346 O HIS A 24 -8.031 1.692 -5.134 1.00 0.00 O ATOM 347 CB HIS A 24 -6.533 3.428 -7.484 1.00 0.00 C ATOM 348 CG HIS A 24 -7.522 4.541 -7.232 1.00 0.00 C ATOM 349 ND1 HIS A 24 -7.364 5.896 -7.255 1.00 0.00 N flip ATOM 350 CD2 HIS A 24 -8.848 4.308 -6.911 1.00 0.00 C flip ATOM 351 CE1 HIS A 24 -8.530 6.459 -6.966 1.00 0.00 C flip ATOM 352 NE2 HIS A 24 -9.451 5.476 -6.752 1.00 0.00 N flip ATOM 0 H HIS A 24 -4.308 2.375 -7.231 1.00 0.00 H new ATOM 0 HA HIS A 24 -6.171 3.376 -5.403 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -5.640 3.848 -7.947 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -6.964 2.728 -8.199 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -9.312 3.338 -6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -8.719 7.521 -6.909 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -10.432 5.616 -6.512 1.00 0.00 H new ATOM 360 N ASN A 25 -6.795 0.360 -6.479 1.00 0.00 N ATOM 361 CA ASN A 25 -7.617 -0.817 -6.256 1.00 0.00 C ATOM 362 C ASN A 25 -7.167 -1.511 -4.968 1.00 0.00 C ATOM 363 O ASN A 25 -7.972 -2.143 -4.286 1.00 0.00 O ATOM 364 CB ASN A 25 -7.474 -1.816 -7.406 1.00 0.00 C ATOM 365 CG ASN A 25 -8.675 -1.740 -8.351 1.00 0.00 C ATOM 366 OD1 ASN A 25 -9.823 -1.725 -7.938 1.00 0.00 O ATOM 367 ND2 ASN A 25 -8.347 -1.694 -9.639 1.00 0.00 N ATOM 0 H ASN A 25 -6.006 0.216 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.656 -0.494 -6.187 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.558 -1.610 -7.959 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.385 -2.826 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.077 -1.643 -10.350 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.366 -1.710 -9.916 1.00 0.00 H new ATOM 374 N ALA A 26 -5.883 -1.369 -4.675 1.00 0.00 N ATOM 375 CA ALA A 26 -5.317 -1.974 -3.481 1.00 0.00 C ATOM 376 C ALA A 26 -6.051 -1.443 -2.248 1.00 0.00 C ATOM 377 O ALA A 26 -6.342 -2.198 -1.322 1.00 0.00 O ATOM 378 CB ALA A 26 -3.814 -1.694 -3.431 1.00 0.00 C ATOM 0 H ALA A 26 -5.218 -0.844 -5.243 1.00 0.00 H new ATOM 0 HA ALA A 26 -5.447 -3.056 -3.500 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.389 -2.148 -2.536 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.335 -2.117 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.645 -0.617 -3.408 1.00 0.00 H new ATOM 384 N LEU A 27 -6.329 -0.148 -2.276 1.00 0.00 N ATOM 385 CA LEU A 27 -7.023 0.493 -1.173 1.00 0.00 C ATOM 386 C LEU A 27 -8.462 -0.025 -1.112 1.00 0.00 C ATOM 387 O LEU A 27 -8.932 -0.439 -0.053 1.00 0.00 O ATOM 388 CB LEU A 27 -6.921 2.015 -1.287 1.00 0.00 C ATOM 389 CG LEU A 27 -5.514 2.579 -1.494 1.00 0.00 C ATOM 390 CD1 LEU A 27 -5.515 4.106 -1.392 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.519 1.940 -0.524 1.00 0.00 C ATOM 0 H LEU A 27 -6.086 0.475 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.551 0.236 -0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.547 2.340 -2.118 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -7.338 2.456 -0.382 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.189 2.324 -2.503 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.503 4.481 -1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.174 4.521 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.869 4.405 -0.405 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.527 2.359 -0.692 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.829 2.143 0.501 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.491 0.863 -0.689 1.00 0.00 H new ATOM 403 N SER A 28 -9.121 0.016 -2.261 1.00 0.00 N ATOM 404 CA SER A 28 -10.496 -0.443 -2.351 1.00 0.00 C ATOM 405 C SER A 28 -10.540 -1.972 -2.322 1.00 0.00 C ATOM 406 O SER A 28 -11.616 -2.566 -2.359 1.00 0.00 O ATOM 407 CB SER A 28 -11.170 0.083 -3.620 1.00 0.00 C ATOM 408 OG SER A 28 -11.590 1.438 -3.479 1.00 0.00 O ATOM 0 H SER A 28 -8.728 0.360 -3.137 1.00 0.00 H new ATOM 0 HA SER A 28 -11.044 -0.054 -1.493 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.477 0.003 -4.458 1.00 0.00 H new ATOM 0 HB3 SER A 28 -12.032 -0.541 -3.858 1.00 0.00 H new ATOM 0 HG SER A 28 -12.014 1.737 -4.310 1.00 0.00 H new ATOM 414 N HIS A 29 -9.357 -2.565 -2.255 1.00 0.00 N ATOM 415 CA HIS A 29 -9.247 -4.014 -2.220 1.00 0.00 C ATOM 416 C HIS A 29 -9.435 -4.508 -0.785 1.00 0.00 C ATOM 417 O HIS A 29 -10.208 -5.433 -0.540 1.00 0.00 O ATOM 418 CB HIS A 29 -7.925 -4.473 -2.837 1.00 0.00 C ATOM 419 CG HIS A 29 -8.058 -5.025 -4.237 1.00 0.00 C ATOM 420 ND1 HIS A 29 -8.865 -4.648 -5.270 1.00 0.00 N flip ATOM 421 CD2 HIS A 29 -7.305 -6.090 -4.697 1.00 0.00 C flip ATOM 422 CE1 HIS A 29 -8.617 -5.440 -6.306 1.00 0.00 C flip ATOM 423 NE2 HIS A 29 -7.650 -6.335 -5.953 1.00 0.00 N flip ATOM 0 H HIS A 29 -8.466 -2.069 -2.224 1.00 0.00 H new ATOM 0 HA HIS A 29 -10.037 -4.457 -2.826 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -7.232 -3.631 -2.854 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -7.483 -5.237 -2.197 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.562 -6.630 -4.129 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -9.101 -5.385 -7.270 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.261 -7.064 -6.550 1.00 0.00 H new ATOM 431 N CYS A 30 -8.716 -3.870 0.126 1.00 0.00 N ATOM 432 CA CYS A 30 -8.794 -4.233 1.531 1.00 0.00 C ATOM 433 C CYS A 30 -7.868 -3.305 2.319 1.00 0.00 C ATOM 434 O CYS A 30 -8.201 -2.886 3.427 1.00 0.00 O ATOM 435 CB CYS A 30 -8.449 -5.707 1.754 1.00 0.00 C ATOM 436 SG CYS A 30 -8.869 -6.196 3.466 1.00 0.00 S ATOM 0 H CYS A 30 -8.076 -3.103 -0.081 1.00 0.00 H new ATOM 0 HA CYS A 30 -9.817 -4.109 1.885 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -8.996 -6.328 1.045 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.387 -5.872 1.570 1.00 0.00 H new ATOM 0 HG CYS A 30 -8.574 -7.450 3.644 1.00 0.00 H new ATOM 442 N CYS A 31 -6.725 -3.010 1.718 1.00 0.00 N ATOM 443 CA CYS A 31 -5.749 -2.139 2.350 1.00 0.00 C ATOM 444 C CYS A 31 -6.501 -1.011 3.058 1.00 0.00 C ATOM 445 O CYS A 31 -6.268 -0.750 4.238 1.00 0.00 O ATOM 446 CB CYS A 31 -4.733 -1.602 1.340 1.00 0.00 C ATOM 447 SG CYS A 31 -3.390 -2.822 1.095 1.00 0.00 S ATOM 0 H CYS A 31 -6.453 -3.359 0.799 1.00 0.00 H new ATOM 0 HA CYS A 31 -5.171 -2.705 3.081 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.226 -1.396 0.390 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -4.318 -0.659 1.695 1.00 0.00 H new ATOM 0 HG CYS A 31 -2.534 -2.358 0.234 1.00 0.00 H new ATOM 453 N LEU A 32 -7.386 -0.371 2.309 1.00 0.00 N ATOM 454 CA LEU A 32 -8.173 0.724 2.851 1.00 0.00 C ATOM 455 C LEU A 32 -9.614 0.607 2.350 1.00 0.00 C ATOM 456 O LEU A 32 -10.227 1.605 1.975 1.00 0.00 O ATOM 457 CB LEU A 32 -7.517 2.068 2.527 1.00 0.00 C ATOM 458 CG LEU A 32 -6.452 2.549 3.515 1.00 0.00 C ATOM 459 CD1 LEU A 32 -5.688 3.751 2.955 1.00 0.00 C ATOM 460 CD2 LEU A 32 -7.069 2.850 4.882 1.00 0.00 C ATOM 0 H LEU A 32 -7.576 -0.589 1.331 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.207 0.666 3.939 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.063 1.999 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.298 2.826 2.467 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.730 1.745 3.657 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.937 4.073 3.677 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.198 3.469 2.023 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.384 4.568 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.291 3.190 5.565 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.825 3.628 4.777 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.532 1.947 5.279 1.00 0.00 H new ATOM 472 N ALA A 33 -10.113 -0.620 2.360 1.00 0.00 N ATOM 473 CA ALA A 33 -11.470 -0.880 1.912 1.00 0.00 C ATOM 474 C ALA A 33 -12.383 -1.041 3.129 1.00 0.00 C ATOM 475 O ALA A 33 -11.956 -1.542 4.168 1.00 0.00 O ATOM 476 CB ALA A 33 -11.482 -2.115 1.008 1.00 0.00 C ATOM 0 H ALA A 33 -9.601 -1.446 2.672 1.00 0.00 H new ATOM 0 HA ALA A 33 -11.847 -0.042 1.325 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.500 -2.310 0.672 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -10.842 -1.939 0.143 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -11.112 -2.977 1.564 1.00 0.00 H new ATOM 482 N GLY A 34 -13.623 -0.605 2.960 1.00 0.00 N ATOM 483 CA GLY A 34 -14.600 -0.694 4.032 1.00 0.00 C ATOM 484 C GLY A 34 -15.192 0.681 4.349 1.00 0.00 C ATOM 485 O GLY A 34 -15.022 1.626 3.581 1.00 0.00 O ATOM 0 H GLY A 34 -13.973 -0.189 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -15.397 -1.380 3.746 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.129 -1.106 4.925 1.00 0.00 H new ATOM 489 N LYS A 35 -15.876 0.748 5.483 1.00 0.00 N ATOM 490 CA LYS A 35 -16.495 1.990 5.911 1.00 0.00 C ATOM 491 C LYS A 35 -15.552 2.721 6.869 1.00 0.00 C ATOM 492 O LYS A 35 -15.310 3.917 6.716 1.00 0.00 O ATOM 493 CB LYS A 35 -17.882 1.724 6.498 1.00 0.00 C ATOM 494 CG LYS A 35 -17.781 0.959 7.819 1.00 0.00 C ATOM 495 CD LYS A 35 -17.476 1.908 8.980 1.00 0.00 C ATOM 496 CE LYS A 35 -18.652 1.976 9.956 1.00 0.00 C ATOM 497 NZ LYS A 35 -18.622 0.823 10.884 1.00 0.00 N ATOM 0 H LYS A 35 -16.014 -0.038 6.118 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.657 2.648 5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -18.400 2.669 6.660 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.478 1.152 5.787 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -18.716 0.433 8.011 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -16.999 0.203 7.747 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -16.582 1.571 9.505 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -17.262 2.904 8.593 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -18.610 2.907 10.522 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -19.591 1.981 9.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -19.427 0.884 11.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -18.685 -0.062 10.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.733 0.835 11.424 1.00 0.00 H new ATOM 511 N VAL A 36 -15.044 1.970 7.836 1.00 0.00 N ATOM 512 CA VAL A 36 -14.133 2.532 8.819 1.00 0.00 C ATOM 513 C VAL A 36 -13.130 3.447 8.114 1.00 0.00 C ATOM 514 O VAL A 36 -12.868 4.558 8.573 1.00 0.00 O ATOM 515 CB VAL A 36 -13.462 1.408 9.612 1.00 0.00 C ATOM 516 CG1 VAL A 36 -14.478 0.677 10.493 1.00 0.00 C ATOM 517 CG2 VAL A 36 -12.743 0.432 8.679 1.00 0.00 C ATOM 0 H VAL A 36 -15.246 0.978 7.959 1.00 0.00 H new ATOM 0 HA VAL A 36 -14.677 3.141 9.540 1.00 0.00 H new ATOM 0 HB VAL A 36 -12.715 1.859 10.265 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -13.976 -0.117 11.046 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -14.924 1.381 11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -15.258 0.245 9.867 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -12.275 -0.357 9.268 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -13.463 -0.009 7.989 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -11.978 0.965 8.114 1.00 0.00 H new ATOM 527 N ASN A 37 -12.595 2.947 7.009 1.00 0.00 N ATOM 528 CA ASN A 37 -11.627 3.705 6.237 1.00 0.00 C ATOM 529 C ASN A 37 -12.326 4.342 5.034 1.00 0.00 C ATOM 530 O ASN A 37 -11.791 4.336 3.926 1.00 0.00 O ATOM 531 CB ASN A 37 -10.511 2.800 5.711 1.00 0.00 C ATOM 532 CG ASN A 37 -9.424 2.599 6.768 1.00 0.00 C ATOM 533 OD1 ASN A 37 -9.019 3.518 7.462 1.00 0.00 O ATOM 534 ND2 ASN A 37 -8.975 1.350 6.852 1.00 0.00 N ATOM 0 H ASN A 37 -12.814 2.026 6.631 1.00 0.00 H new ATOM 0 HA ASN A 37 -11.197 4.465 6.889 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -10.926 1.834 5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.074 3.239 4.814 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -8.248 1.114 7.528 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.357 0.628 6.241 1.00 0.00 H new ATOM 541 N GLU A 38 -13.512 4.874 5.292 1.00 0.00 N ATOM 542 CA GLU A 38 -14.290 5.513 4.245 1.00 0.00 C ATOM 543 C GLU A 38 -13.768 6.928 3.984 1.00 0.00 C ATOM 544 O GLU A 38 -13.674 7.356 2.835 1.00 0.00 O ATOM 545 CB GLU A 38 -15.777 5.534 4.602 1.00 0.00 C ATOM 546 CG GLU A 38 -16.596 6.214 3.502 1.00 0.00 C ATOM 547 CD GLU A 38 -17.879 6.823 4.071 1.00 0.00 C ATOM 548 OE1 GLU A 38 -17.753 7.624 5.023 1.00 0.00 O ATOM 549 OE2 GLU A 38 -18.956 6.474 3.542 1.00 0.00 O ATOM 0 H GLU A 38 -13.953 4.875 6.212 1.00 0.00 H new ATOM 0 HA GLU A 38 -14.178 4.931 3.330 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -16.134 4.515 4.748 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.921 6.061 5.545 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.999 6.993 3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -16.846 5.488 2.728 1.00 0.00 H new ATOM 556 N PRO A 39 -13.435 7.632 5.098 1.00 0.00 N ATOM 557 CA PRO A 39 -12.926 8.989 5.001 1.00 0.00 C ATOM 558 C PRO A 39 -11.473 8.997 4.520 1.00 0.00 C ATOM 559 O PRO A 39 -11.148 9.645 3.526 1.00 0.00 O ATOM 560 CB PRO A 39 -13.093 9.573 6.395 1.00 0.00 C ATOM 561 CG PRO A 39 -13.255 8.384 7.328 1.00 0.00 C ATOM 562 CD PRO A 39 -13.534 7.157 6.475 1.00 0.00 C ATOM 0 HA PRO A 39 -13.463 9.588 4.266 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.227 10.173 6.674 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.963 10.228 6.442 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -12.353 8.239 7.922 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -14.073 8.556 8.028 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -12.812 6.365 6.673 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -14.522 6.747 6.682 1.00 0.00 H new ATOM 570 N GLN A 40 -10.639 8.269 5.248 1.00 0.00 N ATOM 571 CA GLN A 40 -9.229 8.184 4.908 1.00 0.00 C ATOM 572 C GLN A 40 -9.059 7.739 3.454 1.00 0.00 C ATOM 573 O GLN A 40 -8.384 8.406 2.671 1.00 0.00 O ATOM 574 CB GLN A 40 -8.491 7.240 5.859 1.00 0.00 C ATOM 575 CG GLN A 40 -7.282 6.603 5.172 1.00 0.00 C ATOM 576 CD GLN A 40 -6.160 6.332 6.177 1.00 0.00 C ATOM 577 OE1 GLN A 40 -6.387 6.110 7.355 1.00 0.00 O ATOM 578 NE2 GLN A 40 -4.940 6.363 5.647 1.00 0.00 N ATOM 0 H GLN A 40 -10.913 7.733 6.072 1.00 0.00 H new ATOM 0 HA GLN A 40 -8.789 9.175 5.018 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -8.164 7.790 6.742 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.171 6.460 6.203 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -7.581 5.670 4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.918 7.262 4.384 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -4.821 6.555 4.652 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -4.124 6.195 6.235 1.00 0.00 H new ATOM 587 N LYS A 41 -9.684 6.615 3.136 1.00 0.00 N ATOM 588 CA LYS A 41 -9.611 6.073 1.790 1.00 0.00 C ATOM 589 C LYS A 41 -9.683 7.219 0.778 1.00 0.00 C ATOM 590 O LYS A 41 -8.763 7.410 -0.016 1.00 0.00 O ATOM 591 CB LYS A 41 -10.685 5.003 1.584 1.00 0.00 C ATOM 592 CG LYS A 41 -10.858 4.678 0.098 1.00 0.00 C ATOM 593 CD LYS A 41 -12.018 3.705 -0.118 1.00 0.00 C ATOM 594 CE LYS A 41 -13.349 4.337 0.295 1.00 0.00 C ATOM 595 NZ LYS A 41 -14.476 3.438 -0.039 1.00 0.00 N ATOM 0 H LYS A 41 -10.243 6.065 3.788 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.657 5.569 1.634 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.412 4.099 2.128 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -11.632 5.349 1.997 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.040 5.596 -0.460 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -9.937 4.245 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.061 3.412 -1.167 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.848 2.797 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.344 4.542 1.366 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.477 5.294 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -15.371 3.882 0.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.489 3.264 -1.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -14.361 2.535 0.464 1.00 0.00 H new ATOM 609 N ASN A 42 -10.785 7.952 0.841 1.00 0.00 N ATOM 610 CA ASN A 42 -10.989 9.074 -0.059 1.00 0.00 C ATOM 611 C ASN A 42 -9.779 10.007 0.013 1.00 0.00 C ATOM 612 O ASN A 42 -9.209 10.371 -1.014 1.00 0.00 O ATOM 613 CB ASN A 42 -12.230 9.878 0.335 1.00 0.00 C ATOM 614 CG ASN A 42 -13.500 9.236 -0.228 1.00 0.00 C ATOM 615 OD1 ASN A 42 -13.892 9.465 -1.361 1.00 0.00 O ATOM 616 ND2 ASN A 42 -14.119 8.424 0.623 1.00 0.00 N ATOM 0 H ASN A 42 -11.546 7.791 1.501 1.00 0.00 H new ATOM 0 HA ASN A 42 -11.120 8.678 -1.066 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -12.299 9.938 1.421 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -12.139 10.899 -0.036 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -14.976 7.948 0.342 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -13.737 8.277 1.557 1.00 0.00 H new ATOM 623 N ARG A 43 -9.423 10.368 1.237 1.00 0.00 N ATOM 624 CA ARG A 43 -8.291 11.252 1.457 1.00 0.00 C ATOM 625 C ARG A 43 -7.060 10.735 0.710 1.00 0.00 C ATOM 626 O ARG A 43 -6.245 11.521 0.229 1.00 0.00 O ATOM 627 CB ARG A 43 -7.963 11.368 2.947 1.00 0.00 C ATOM 628 CG ARG A 43 -8.976 12.263 3.664 1.00 0.00 C ATOM 629 CD ARG A 43 -8.333 13.583 4.094 1.00 0.00 C ATOM 630 NE ARG A 43 -9.330 14.428 4.789 1.00 0.00 N ATOM 631 CZ ARG A 43 -9.238 15.760 4.899 1.00 0.00 C ATOM 632 NH1 ARG A 43 -8.195 16.407 4.361 1.00 0.00 N ATOM 633 NH2 ARG A 43 -10.190 16.446 5.548 1.00 0.00 N ATOM 0 H ARG A 43 -9.899 10.064 2.087 1.00 0.00 H new ATOM 0 HA ARG A 43 -8.563 12.238 1.079 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.963 10.377 3.401 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.960 11.776 3.071 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -9.820 12.463 3.005 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.370 11.745 4.538 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.487 13.387 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -7.943 14.108 3.222 1.00 0.00 H new ATOM 0 HE ARG A 43 -10.137 13.968 5.210 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -7.471 15.885 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.125 17.421 4.445 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.984 15.954 5.958 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.120 17.460 5.632 1.00 0.00 H new ATOM 647 N ILE A 44 -6.964 9.415 0.635 1.00 0.00 N ATOM 648 CA ILE A 44 -5.847 8.783 -0.045 1.00 0.00 C ATOM 649 C ILE A 44 -5.996 8.982 -1.555 1.00 0.00 C ATOM 650 O ILE A 44 -5.138 9.590 -2.192 1.00 0.00 O ATOM 651 CB ILE A 44 -5.725 7.317 0.373 1.00 0.00 C ATOM 652 CG1 ILE A 44 -5.715 7.180 1.897 1.00 0.00 C ATOM 653 CG2 ILE A 44 -4.499 6.664 -0.269 1.00 0.00 C ATOM 654 CD1 ILE A 44 -5.049 8.392 2.552 1.00 0.00 C ATOM 0 H ILE A 44 -7.642 8.766 1.034 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.908 9.253 0.248 1.00 0.00 H new ATOM 0 HB ILE A 44 -6.603 6.784 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.737 7.080 2.263 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.184 6.271 2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.436 5.622 0.045 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.588 6.712 -1.354 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.599 7.193 0.045 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -5.055 8.269 3.635 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -4.020 8.475 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.597 9.296 2.286 1.00 0.00 H new ATOM 666 N LEU A 45 -7.092 8.458 -2.083 1.00 0.00 N ATOM 667 CA LEU A 45 -7.365 8.570 -3.505 1.00 0.00 C ATOM 668 C LEU A 45 -7.141 10.016 -3.951 1.00 0.00 C ATOM 669 O LEU A 45 -6.535 10.262 -4.993 1.00 0.00 O ATOM 670 CB LEU A 45 -8.763 8.038 -3.827 1.00 0.00 C ATOM 671 CG LEU A 45 -8.980 6.540 -3.597 1.00 0.00 C ATOM 672 CD1 LEU A 45 -7.647 5.820 -3.383 1.00 0.00 C ATOM 673 CD2 LEU A 45 -9.954 6.298 -2.443 1.00 0.00 C ATOM 0 H LEU A 45 -7.802 7.954 -1.551 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.674 7.949 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.487 8.587 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -8.983 8.261 -4.871 1.00 0.00 H new ATOM 0 HG LEU A 45 -9.433 6.119 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.829 4.757 -3.222 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.017 5.951 -4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -7.144 6.238 -2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -10.090 5.226 -2.301 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -9.552 6.737 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.914 6.758 -2.675 1.00 0.00 H new ATOM 685 N GLU A 46 -7.641 10.936 -3.139 1.00 0.00 N ATOM 686 CA GLU A 46 -7.502 12.352 -3.436 1.00 0.00 C ATOM 687 C GLU A 46 -6.026 12.754 -3.429 1.00 0.00 C ATOM 688 O GLU A 46 -5.536 13.351 -4.387 1.00 0.00 O ATOM 689 CB GLU A 46 -8.307 13.200 -2.450 1.00 0.00 C ATOM 690 CG GLU A 46 -9.710 12.625 -2.249 1.00 0.00 C ATOM 691 CD GLU A 46 -10.776 13.574 -2.802 1.00 0.00 C ATOM 692 OE1 GLU A 46 -10.829 13.705 -4.044 1.00 0.00 O ATOM 693 OE2 GLU A 46 -11.513 14.146 -1.970 1.00 0.00 O ATOM 0 H GLU A 46 -8.143 10.729 -2.276 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.903 12.535 -4.433 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.787 13.242 -1.493 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.379 14.223 -2.819 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.785 11.658 -2.747 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.887 12.452 -1.188 1.00 0.00 H new ATOM 700 N GLU A 47 -5.358 12.411 -2.338 1.00 0.00 N ATOM 701 CA GLU A 47 -3.947 12.728 -2.193 1.00 0.00 C ATOM 702 C GLU A 47 -3.142 12.104 -3.334 1.00 0.00 C ATOM 703 O GLU A 47 -2.284 12.758 -3.924 1.00 0.00 O ATOM 704 CB GLU A 47 -3.418 12.268 -0.833 1.00 0.00 C ATOM 705 CG GLU A 47 -3.922 13.179 0.288 1.00 0.00 C ATOM 706 CD GLU A 47 -3.109 14.474 0.349 1.00 0.00 C ATOM 707 OE1 GLU A 47 -1.876 14.379 0.171 1.00 0.00 O ATOM 708 OE2 GLU A 47 -3.740 15.530 0.572 1.00 0.00 O ATOM 0 H GLU A 47 -5.768 11.916 -1.545 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.832 13.811 -2.243 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.735 11.243 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.328 12.268 -0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.974 13.413 0.126 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.855 12.658 1.243 1.00 0.00 H new ATOM 715 N ILE A 48 -3.449 10.845 -3.612 1.00 0.00 N ATOM 716 CA ILE A 48 -2.765 10.125 -4.673 1.00 0.00 C ATOM 717 C ILE A 48 -2.949 10.875 -5.994 1.00 0.00 C ATOM 718 O ILE A 48 -1.992 11.062 -6.744 1.00 0.00 O ATOM 719 CB ILE A 48 -3.235 8.670 -4.722 1.00 0.00 C ATOM 720 CG1 ILE A 48 -2.889 7.938 -3.423 1.00 0.00 C ATOM 721 CG2 ILE A 48 -2.673 7.953 -5.951 1.00 0.00 C ATOM 722 CD1 ILE A 48 -3.473 6.524 -3.418 1.00 0.00 C ATOM 0 H ILE A 48 -4.162 10.305 -3.121 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.694 10.084 -4.476 1.00 0.00 H new ATOM 0 HB ILE A 48 -4.321 8.665 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.806 7.889 -3.307 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -3.276 8.498 -2.572 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.022 6.921 -5.961 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -3.012 8.460 -6.855 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.584 7.967 -5.914 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -3.212 6.026 -2.484 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -4.558 6.578 -3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.065 5.959 -4.256 1.00 0.00 H new ATOM 734 N GLU A 49 -4.185 11.285 -6.237 1.00 0.00 N ATOM 735 CA GLU A 49 -4.506 12.011 -7.455 1.00 0.00 C ATOM 736 C GLU A 49 -3.884 13.408 -7.419 1.00 0.00 C ATOM 737 O GLU A 49 -3.463 13.930 -8.450 1.00 0.00 O ATOM 738 CB GLU A 49 -6.020 12.089 -7.663 1.00 0.00 C ATOM 739 CG GLU A 49 -6.601 10.711 -7.987 1.00 0.00 C ATOM 740 CD GLU A 49 -6.598 10.456 -9.495 1.00 0.00 C ATOM 741 OE1 GLU A 49 -5.611 10.873 -10.140 1.00 0.00 O ATOM 742 OE2 GLU A 49 -7.583 9.850 -9.970 1.00 0.00 O ATOM 0 H GLU A 49 -4.976 11.129 -5.612 1.00 0.00 H new ATOM 0 HA GLU A 49 -4.084 11.469 -8.301 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.494 12.485 -6.765 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.244 12.782 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.019 9.939 -7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.620 10.643 -7.605 1.00 0.00 H new ATOM 749 N LYS A 50 -3.846 13.974 -6.222 1.00 0.00 N ATOM 750 CA LYS A 50 -3.283 15.301 -6.039 1.00 0.00 C ATOM 751 C LYS A 50 -1.756 15.208 -6.048 1.00 0.00 C ATOM 752 O LYS A 50 -1.071 16.209 -6.248 1.00 0.00 O ATOM 753 CB LYS A 50 -3.851 15.955 -4.778 1.00 0.00 C ATOM 754 CG LYS A 50 -2.793 16.032 -3.675 1.00 0.00 C ATOM 755 CD LYS A 50 -3.401 16.534 -2.365 1.00 0.00 C ATOM 756 CE LYS A 50 -4.232 17.798 -2.595 1.00 0.00 C ATOM 757 NZ LYS A 50 -4.037 18.756 -1.483 1.00 0.00 N ATOM 0 H LYS A 50 -4.196 13.538 -5.369 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.568 15.953 -6.865 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -4.209 16.957 -5.014 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -4.710 15.385 -4.424 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.351 15.048 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.988 16.698 -3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -4.028 15.756 -1.930 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.607 16.742 -1.648 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.944 18.263 -3.538 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.287 17.537 -2.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.608 19.608 -1.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.333 18.315 -0.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.032 19.019 -1.423 1.00 0.00 H new ATOM 771 N SER A 51 -1.268 13.995 -5.831 1.00 0.00 N ATOM 772 CA SER A 51 0.166 13.758 -5.812 1.00 0.00 C ATOM 773 C SER A 51 0.706 13.701 -7.242 1.00 0.00 C ATOM 774 O SER A 51 0.052 13.163 -8.135 1.00 0.00 O ATOM 775 CB SER A 51 0.501 12.465 -5.066 1.00 0.00 C ATOM 776 OG SER A 51 1.906 12.258 -4.960 1.00 0.00 O ATOM 0 H SER A 51 -1.840 13.166 -5.667 1.00 0.00 H new ATOM 0 HA SER A 51 0.642 14.584 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 51 0.063 12.499 -4.068 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.048 11.620 -5.584 1.00 0.00 H new ATOM 0 HG SER A 51 2.237 12.675 -4.137 1.00 0.00 H new ATOM 782 N LYS A 52 1.893 14.263 -7.416 1.00 0.00 N ATOM 783 CA LYS A 52 2.528 14.283 -8.723 1.00 0.00 C ATOM 784 C LYS A 52 3.424 13.051 -8.868 1.00 0.00 C ATOM 785 O LYS A 52 4.375 13.060 -9.648 1.00 0.00 O ATOM 786 CB LYS A 52 3.262 15.607 -8.941 1.00 0.00 C ATOM 787 CG LYS A 52 3.872 15.671 -10.343 1.00 0.00 C ATOM 788 CD LYS A 52 3.339 16.878 -11.118 1.00 0.00 C ATOM 789 CE LYS A 52 4.389 17.987 -11.196 1.00 0.00 C ATOM 790 NZ LYS A 52 4.185 18.972 -10.110 1.00 0.00 N ATOM 0 H LYS A 52 2.432 14.708 -6.673 1.00 0.00 H new ATOM 0 HA LYS A 52 1.779 14.227 -9.513 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.570 16.438 -8.803 1.00 0.00 H new ATOM 0 HB3 LYS A 52 4.047 15.719 -8.193 1.00 0.00 H new ATOM 0 HG2 LYS A 52 4.958 15.733 -10.269 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.641 14.755 -10.886 1.00 0.00 H new ATOM 0 HD2 LYS A 52 3.054 16.571 -12.124 1.00 0.00 H new ATOM 0 HD3 LYS A 52 2.440 17.257 -10.633 1.00 0.00 H new ATOM 0 HE2 LYS A 52 5.388 17.556 -11.121 1.00 0.00 H new ATOM 0 HE3 LYS A 52 4.328 18.486 -12.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 4.906 19.718 -10.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.239 19.396 -10.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 4.266 18.495 -9.189 1.00 0.00 H new ATOM 804 N ALA A 53 3.088 12.021 -8.105 1.00 0.00 N ATOM 805 CA ALA A 53 3.850 10.785 -8.140 1.00 0.00 C ATOM 806 C ALA A 53 2.997 9.682 -8.770 1.00 0.00 C ATOM 807 O ALA A 53 1.781 9.651 -8.585 1.00 0.00 O ATOM 808 CB ALA A 53 4.310 10.429 -6.724 1.00 0.00 C ATOM 0 H ALA A 53 2.298 12.017 -7.459 1.00 0.00 H new ATOM 0 HA ALA A 53 4.743 10.902 -8.754 1.00 0.00 H new ATOM 0 HB1 ALA A 53 4.882 9.501 -6.750 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.936 11.231 -6.333 1.00 0.00 H new ATOM 0 HB3 ALA A 53 3.440 10.301 -6.080 1.00 0.00 H new ATOM 814 N ASN A 54 3.668 8.805 -9.502 1.00 0.00 N ATOM 815 CA ASN A 54 2.986 7.704 -10.161 1.00 0.00 C ATOM 816 C ASN A 54 3.364 6.391 -9.473 1.00 0.00 C ATOM 817 O ASN A 54 2.787 5.344 -9.764 1.00 0.00 O ATOM 818 CB ASN A 54 3.398 7.602 -11.631 1.00 0.00 C ATOM 819 CG ASN A 54 4.920 7.644 -11.779 1.00 0.00 C ATOM 820 OD1 ASN A 54 5.546 8.690 -11.728 1.00 0.00 O ATOM 821 ND2 ASN A 54 5.478 6.451 -11.964 1.00 0.00 N ATOM 0 H ASN A 54 4.676 8.834 -9.653 1.00 0.00 H new ATOM 0 HA ASN A 54 1.913 7.886 -10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 54 3.013 6.675 -12.057 1.00 0.00 H new ATOM 0 HB3 ASN A 54 2.952 8.421 -12.195 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.489 6.372 -12.073 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.895 5.615 -11.997 1.00 0.00 H new ATOM 828 N HIS A 55 4.331 6.489 -8.572 1.00 0.00 N ATOM 829 CA HIS A 55 4.793 5.322 -7.840 1.00 0.00 C ATOM 830 C HIS A 55 4.458 5.481 -6.356 1.00 0.00 C ATOM 831 O HIS A 55 5.083 6.276 -5.656 1.00 0.00 O ATOM 832 CB HIS A 55 6.283 5.079 -8.088 1.00 0.00 C ATOM 833 CG HIS A 55 6.762 3.712 -7.663 1.00 0.00 C ATOM 834 ND1 HIS A 55 8.084 3.315 -7.766 1.00 0.00 N ATOM 835 CD2 HIS A 55 6.083 2.655 -7.133 1.00 0.00 C ATOM 836 CE1 HIS A 55 8.184 2.073 -7.316 1.00 0.00 C ATOM 837 NE2 HIS A 55 6.943 1.665 -6.924 1.00 0.00 N ATOM 0 H HIS A 55 4.807 7.359 -8.332 1.00 0.00 H new ATOM 0 HA HIS A 55 4.274 4.434 -8.201 1.00 0.00 H new ATOM 0 HB2 HIS A 55 6.490 5.211 -9.150 1.00 0.00 H new ATOM 0 HB3 HIS A 55 6.858 5.836 -7.554 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.025 2.628 -6.919 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.090 1.486 -7.268 1.00 0.00 H new ATOM 0 HE2 HIS A 55 6.713 0.751 -6.535 1.00 0.00 H new ATOM 845 N PHE A 56 3.471 4.712 -5.919 1.00 0.00 N ATOM 846 CA PHE A 56 3.044 4.758 -4.531 1.00 0.00 C ATOM 847 C PHE A 56 3.438 3.476 -3.794 1.00 0.00 C ATOM 848 O PHE A 56 3.921 2.526 -4.408 1.00 0.00 O ATOM 849 CB PHE A 56 1.519 4.881 -4.535 1.00 0.00 C ATOM 850 CG PHE A 56 1.005 6.214 -5.084 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.993 7.317 -4.290 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.559 6.294 -6.367 1.00 0.00 C ATOM 853 CE1 PHE A 56 0.515 8.554 -4.799 1.00 0.00 C ATOM 854 CE2 PHE A 56 0.081 7.530 -6.876 1.00 0.00 C ATOM 855 CZ PHE A 56 0.069 8.634 -6.081 1.00 0.00 C ATOM 0 H PHE A 56 2.955 4.053 -6.502 1.00 0.00 H new ATOM 0 HA PHE A 56 3.518 5.598 -4.024 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.101 4.069 -5.130 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.151 4.753 -3.517 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.347 7.253 -3.272 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.569 5.417 -6.998 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.506 9.430 -4.168 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -0.273 7.594 -7.894 1.00 0.00 H new ATOM 0 HZ PHE A 56 -0.295 9.574 -6.468 1.00 0.00 H new ATOM 865 N LEU A 57 3.218 3.492 -2.487 1.00 0.00 N ATOM 866 CA LEU A 57 3.544 2.343 -1.660 1.00 0.00 C ATOM 867 C LEU A 57 2.724 2.400 -0.369 1.00 0.00 C ATOM 868 O LEU A 57 2.544 3.471 0.208 1.00 0.00 O ATOM 869 CB LEU A 57 5.054 2.261 -1.427 1.00 0.00 C ATOM 870 CG LEU A 57 5.865 1.560 -2.518 1.00 0.00 C ATOM 871 CD1 LEU A 57 6.489 2.577 -3.476 1.00 0.00 C ATOM 872 CD2 LEU A 57 6.913 0.628 -1.909 1.00 0.00 C ATOM 0 H LEU A 57 2.818 4.282 -1.981 1.00 0.00 H new ATOM 0 HA LEU A 57 3.273 1.418 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.439 3.274 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 57 5.228 1.743 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 57 5.186 0.941 -3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 57 7.060 2.052 -4.242 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.701 3.163 -3.949 1.00 0.00 H new ATOM 0 HD13 LEU A 57 7.151 3.241 -2.921 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.475 0.142 -2.706 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.594 1.205 -1.284 1.00 0.00 H new ATOM 0 HD23 LEU A 57 6.417 -0.129 -1.302 1.00 0.00 H new ATOM 884 N ILE A 58 2.250 1.234 0.045 1.00 0.00 N ATOM 885 CA ILE A 58 1.454 1.138 1.257 1.00 0.00 C ATOM 886 C ILE A 58 2.354 0.718 2.421 1.00 0.00 C ATOM 887 O ILE A 58 3.186 -0.176 2.276 1.00 0.00 O ATOM 888 CB ILE A 58 0.257 0.211 1.039 1.00 0.00 C ATOM 889 CG1 ILE A 58 -0.726 0.811 0.031 1.00 0.00 C ATOM 890 CG2 ILE A 58 -0.421 -0.130 2.368 1.00 0.00 C ATOM 891 CD1 ILE A 58 -0.801 -0.043 -1.236 1.00 0.00 C ATOM 0 H ILE A 58 2.402 0.348 -0.437 1.00 0.00 H new ATOM 0 HA ILE A 58 1.032 2.110 1.514 1.00 0.00 H new ATOM 0 HB ILE A 58 0.622 -0.724 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.715 0.886 0.483 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.416 1.824 -0.226 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.269 -0.790 2.185 1.00 0.00 H new ATOM 0 HG22 ILE A 58 0.293 -0.629 3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.771 0.786 2.844 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.506 0.405 -1.936 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.185 -0.096 -1.698 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.135 -1.048 -0.978 1.00 0.00 H new ATOM 903 N LEU A 59 2.156 1.383 3.550 1.00 0.00 N ATOM 904 CA LEU A 59 2.938 1.090 4.738 1.00 0.00 C ATOM 905 C LEU A 59 2.172 0.099 5.617 1.00 0.00 C ATOM 906 O LEU A 59 1.017 0.338 5.966 1.00 0.00 O ATOM 907 CB LEU A 59 3.321 2.384 5.460 1.00 0.00 C ATOM 908 CG LEU A 59 4.241 2.228 6.673 1.00 0.00 C ATOM 909 CD1 LEU A 59 5.634 1.761 6.248 1.00 0.00 C ATOM 910 CD2 LEU A 59 4.294 3.521 7.490 1.00 0.00 C ATOM 0 H LEU A 59 1.465 2.124 3.667 1.00 0.00 H new ATOM 0 HA LEU A 59 3.880 0.613 4.466 1.00 0.00 H new ATOM 0 HB2 LEU A 59 3.807 3.047 4.743 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.406 2.880 5.784 1.00 0.00 H new ATOM 0 HG LEU A 59 3.826 1.455 7.320 1.00 0.00 H new ATOM 0 HD11 LEU A 59 6.268 1.658 7.129 1.00 0.00 H new ATOM 0 HD12 LEU A 59 5.557 0.798 5.742 1.00 0.00 H new ATOM 0 HD13 LEU A 59 6.072 2.493 5.569 1.00 0.00 H new ATOM 0 HD21 LEU A 59 4.954 3.384 8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 59 4.673 4.330 6.866 1.00 0.00 H new ATOM 0 HD23 LEU A 59 3.293 3.771 7.841 1.00 0.00 H new ATOM 922 N PHE A 60 2.846 -0.992 5.949 1.00 0.00 N ATOM 923 CA PHE A 60 2.243 -2.020 6.780 1.00 0.00 C ATOM 924 C PHE A 60 2.958 -2.123 8.129 1.00 0.00 C ATOM 925 O PHE A 60 3.959 -1.446 8.359 1.00 0.00 O ATOM 926 CB PHE A 60 2.397 -3.346 6.033 1.00 0.00 C ATOM 927 CG PHE A 60 1.838 -3.326 4.609 1.00 0.00 C ATOM 928 CD1 PHE A 60 2.559 -2.760 3.604 1.00 0.00 C ATOM 929 CD2 PHE A 60 0.621 -3.874 4.348 1.00 0.00 C ATOM 930 CE1 PHE A 60 2.041 -2.742 2.282 1.00 0.00 C ATOM 931 CE2 PHE A 60 0.103 -3.855 3.026 1.00 0.00 C ATOM 932 CZ PHE A 60 0.823 -3.290 2.021 1.00 0.00 C ATOM 0 H PHE A 60 3.804 -1.187 5.658 1.00 0.00 H new ATOM 0 HA PHE A 60 1.197 -1.779 6.970 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.454 -3.609 5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.894 -4.131 6.599 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.525 -2.324 3.811 1.00 0.00 H new ATOM 0 HD2 PHE A 60 0.049 -4.324 5.146 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.614 -2.293 1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -0.864 -4.290 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.429 -3.276 1.016 1.00 0.00 H new ATOM 942 N ARG A 61 2.415 -2.975 8.987 1.00 0.00 N ATOM 943 CA ARG A 61 2.988 -3.175 10.307 1.00 0.00 C ATOM 944 C ARG A 61 4.127 -4.194 10.242 1.00 0.00 C ATOM 945 O ARG A 61 5.057 -4.141 11.045 1.00 0.00 O ATOM 946 CB ARG A 61 1.930 -3.665 11.298 1.00 0.00 C ATOM 947 CG ARG A 61 2.049 -2.932 12.635 1.00 0.00 C ATOM 948 CD ARG A 61 0.778 -2.138 12.941 1.00 0.00 C ATOM 949 NE ARG A 61 0.023 -2.791 14.034 1.00 0.00 N ATOM 950 CZ ARG A 61 0.519 -3.016 15.258 1.00 0.00 C ATOM 951 NH1 ARG A 61 1.771 -2.643 15.553 1.00 0.00 N ATOM 952 NH2 ARG A 61 -0.238 -3.615 16.187 1.00 0.00 N ATOM 0 H ARG A 61 1.584 -3.534 8.793 1.00 0.00 H new ATOM 0 HA ARG A 61 3.374 -2.215 10.650 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.935 -3.508 10.881 1.00 0.00 H new ATOM 0 HB3 ARG A 61 2.044 -4.737 11.456 1.00 0.00 H new ATOM 0 HG2 ARG A 61 2.233 -3.651 13.433 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.905 -2.258 12.609 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.036 -1.118 13.225 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.157 -2.072 12.048 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.934 -3.088 13.843 1.00 0.00 H new ATOM 0 HH11 ARG A 61 2.347 -2.187 14.846 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.148 -2.815 16.485 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -1.191 -3.899 15.962 1.00 0.00 H new ATOM 0 HH22 ARG A 61 0.139 -3.787 17.119 1.00 0.00 H new ATOM 966 N ASP A 62 4.017 -5.096 9.279 1.00 0.00 N ATOM 967 CA ASP A 62 5.027 -6.126 9.099 1.00 0.00 C ATOM 968 C ASP A 62 5.303 -6.308 7.605 1.00 0.00 C ATOM 969 O ASP A 62 6.437 -6.149 7.156 1.00 0.00 O ATOM 970 CB ASP A 62 4.551 -7.468 9.659 1.00 0.00 C ATOM 971 CG ASP A 62 4.236 -7.469 11.156 1.00 0.00 C ATOM 972 OD1 ASP A 62 3.405 -6.628 11.561 1.00 0.00 O ATOM 973 OD2 ASP A 62 4.832 -8.311 11.861 1.00 0.00 O ATOM 0 H ASP A 62 3.244 -5.136 8.615 1.00 0.00 H new ATOM 0 HA ASP A 62 5.926 -5.813 9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 62 3.658 -7.775 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 62 5.317 -8.218 9.464 1.00 0.00 H new ATOM 978 N SER A 63 4.247 -6.638 6.877 1.00 0.00 N ATOM 979 CA SER A 63 4.361 -6.843 5.443 1.00 0.00 C ATOM 980 C SER A 63 2.970 -6.903 4.810 1.00 0.00 C ATOM 981 O SER A 63 2.415 -5.876 4.422 1.00 0.00 O ATOM 982 CB SER A 63 5.142 -8.121 5.130 1.00 0.00 C ATOM 983 OG SER A 63 4.673 -9.233 5.888 1.00 0.00 O ATOM 0 H SER A 63 3.308 -6.769 7.253 1.00 0.00 H new ATOM 0 HA SER A 63 4.909 -6.001 5.020 1.00 0.00 H new ATOM 0 HB2 SER A 63 5.058 -8.346 4.067 1.00 0.00 H new ATOM 0 HB3 SER A 63 6.200 -7.960 5.339 1.00 0.00 H new ATOM 0 HG SER A 63 5.196 -10.029 5.658 1.00 0.00 H new ATOM 989 N SER A 64 2.445 -8.117 4.725 1.00 0.00 N ATOM 990 CA SER A 64 1.128 -8.324 4.146 1.00 0.00 C ATOM 991 C SER A 64 0.070 -8.353 5.250 1.00 0.00 C ATOM 992 O SER A 64 -0.750 -9.269 5.305 1.00 0.00 O ATOM 993 CB SER A 64 1.082 -9.618 3.332 1.00 0.00 C ATOM 994 OG SER A 64 -0.181 -9.807 2.700 1.00 0.00 O ATOM 0 H SER A 64 2.908 -8.967 5.047 1.00 0.00 H new ATOM 0 HA SER A 64 0.917 -7.495 3.471 1.00 0.00 H new ATOM 0 HB2 SER A 64 1.866 -9.598 2.576 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.291 -10.465 3.986 1.00 0.00 H new ATOM 0 HG SER A 64 -0.895 -9.728 3.366 1.00 0.00 H new ATOM 1000 N CYS A 65 0.121 -7.340 6.102 1.00 0.00 N ATOM 1001 CA CYS A 65 -0.823 -7.238 7.202 1.00 0.00 C ATOM 1002 C CYS A 65 -1.952 -6.295 6.780 1.00 0.00 C ATOM 1003 O CYS A 65 -2.911 -6.718 6.136 1.00 0.00 O ATOM 1004 CB CYS A 65 -0.143 -6.773 8.491 1.00 0.00 C ATOM 1005 SG CYS A 65 0.274 -8.217 9.535 1.00 0.00 S ATOM 0 H CYS A 65 0.802 -6.582 6.053 1.00 0.00 H new ATOM 0 HA CYS A 65 -1.236 -8.222 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 65 0.761 -6.213 8.253 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -0.802 -6.098 9.036 1.00 0.00 H new ATOM 0 HG CYS A 65 0.853 -7.811 10.626 1.00 0.00 H new ATOM 1011 N GLN A 66 -1.800 -5.035 7.160 1.00 0.00 N ATOM 1012 CA GLN A 66 -2.795 -4.029 6.829 1.00 0.00 C ATOM 1013 C GLN A 66 -2.113 -2.712 6.452 1.00 0.00 C ATOM 1014 O GLN A 66 -0.897 -2.579 6.582 1.00 0.00 O ATOM 1015 CB GLN A 66 -3.776 -3.826 7.986 1.00 0.00 C ATOM 1016 CG GLN A 66 -4.793 -4.967 8.049 1.00 0.00 C ATOM 1017 CD GLN A 66 -6.184 -4.442 8.410 1.00 0.00 C ATOM 1018 OE1 GLN A 66 -6.609 -4.470 9.553 1.00 0.00 O ATOM 1019 NE2 GLN A 66 -6.867 -3.963 7.374 1.00 0.00 N ATOM 0 H GLN A 66 -1.003 -4.688 7.694 1.00 0.00 H new ATOM 0 HA GLN A 66 -3.366 -4.380 5.969 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.228 -3.770 8.927 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.297 -2.876 7.864 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.832 -5.478 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -4.475 -5.702 8.788 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.452 -3.969 6.442 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -7.806 -3.589 7.511 1.00 0.00 H new ATOM 1028 N PHE A 67 -2.925 -1.772 5.991 1.00 0.00 N ATOM 1029 CA PHE A 67 -2.415 -0.471 5.594 1.00 0.00 C ATOM 1030 C PHE A 67 -2.266 0.453 6.805 1.00 0.00 C ATOM 1031 O PHE A 67 -3.132 0.481 7.678 1.00 0.00 O ATOM 1032 CB PHE A 67 -3.436 0.134 4.629 1.00 0.00 C ATOM 1033 CG PHE A 67 -3.141 1.583 4.238 1.00 0.00 C ATOM 1034 CD1 PHE A 67 -3.270 2.576 5.159 1.00 0.00 C ATOM 1035 CD2 PHE A 67 -2.749 1.880 2.970 1.00 0.00 C ATOM 1036 CE1 PHE A 67 -2.995 3.921 4.797 1.00 0.00 C ATOM 1037 CE2 PHE A 67 -2.474 3.225 2.608 1.00 0.00 C ATOM 1038 CZ PHE A 67 -2.603 4.217 3.529 1.00 0.00 C ATOM 0 H PHE A 67 -3.933 -1.886 5.884 1.00 0.00 H new ATOM 0 HA PHE A 67 -1.434 -0.581 5.132 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.472 -0.475 3.726 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.425 0.086 5.085 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.582 2.341 6.166 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -2.647 1.092 2.238 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.097 4.709 5.529 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.162 3.460 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.394 5.240 3.253 1.00 0.00 H new ATOM 1048 N ARG A 68 -1.162 1.185 6.818 1.00 0.00 N ATOM 1049 CA ARG A 68 -0.889 2.107 7.907 1.00 0.00 C ATOM 1050 C ARG A 68 -0.870 3.547 7.391 1.00 0.00 C ATOM 1051 O ARG A 68 -1.333 4.461 8.072 1.00 0.00 O ATOM 1052 CB ARG A 68 0.453 1.793 8.572 1.00 0.00 C ATOM 1053 CG ARG A 68 0.309 0.657 9.586 1.00 0.00 C ATOM 1054 CD ARG A 68 -0.595 1.071 10.749 1.00 0.00 C ATOM 1055 NE ARG A 68 0.103 0.855 12.036 1.00 0.00 N ATOM 1056 CZ ARG A 68 -0.469 1.013 13.237 1.00 0.00 C ATOM 1057 NH1 ARG A 68 -1.752 1.390 13.324 1.00 0.00 N ATOM 1058 NH2 ARG A 68 0.242 0.795 14.352 1.00 0.00 N ATOM 0 H ARG A 68 -0.446 1.158 6.092 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.683 1.992 8.645 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.184 1.517 7.812 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.833 2.684 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.105 -0.223 9.095 1.00 0.00 H new ATOM 0 HG3 ARG A 68 1.292 0.377 9.966 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.873 2.120 10.648 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -1.519 0.493 10.726 1.00 0.00 H new ATOM 0 HE ARG A 68 1.081 0.568 12.007 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -2.293 1.557 12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -2.187 1.510 14.239 1.00 0.00 H new ATOM 0 HH21 ARG A 68 1.219 0.509 14.286 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -0.194 0.915 15.266 1.00 0.00 H new ATOM 1072 N ALA A 69 -0.329 3.705 6.192 1.00 0.00 N ATOM 1073 CA ALA A 69 -0.243 5.019 5.577 1.00 0.00 C ATOM 1074 C ALA A 69 0.211 4.868 4.123 1.00 0.00 C ATOM 1075 O ALA A 69 0.883 3.898 3.777 1.00 0.00 O ATOM 1076 CB ALA A 69 0.700 5.905 6.393 1.00 0.00 C ATOM 0 H ALA A 69 0.054 2.945 5.630 1.00 0.00 H new ATOM 0 HA ALA A 69 -1.219 5.503 5.569 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.764 6.890 5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 69 0.318 6.005 7.409 1.00 0.00 H new ATOM 0 HB3 ALA A 69 1.691 5.452 6.421 1.00 0.00 H new ATOM 1082 N LEU A 70 -0.175 5.842 3.312 1.00 0.00 N ATOM 1083 CA LEU A 70 0.184 5.829 1.904 1.00 0.00 C ATOM 1084 C LEU A 70 1.353 6.788 1.672 1.00 0.00 C ATOM 1085 O LEU A 70 1.389 7.878 2.241 1.00 0.00 O ATOM 1086 CB LEU A 70 -1.040 6.130 1.037 1.00 0.00 C ATOM 1087 CG LEU A 70 -0.841 5.993 -0.474 1.00 0.00 C ATOM 1088 CD1 LEU A 70 0.008 7.142 -1.022 1.00 0.00 C ATOM 1089 CD2 LEU A 70 -0.253 4.626 -0.828 1.00 0.00 C ATOM 0 H LEU A 70 -0.733 6.645 3.603 1.00 0.00 H new ATOM 0 HA LEU A 70 0.521 4.836 1.605 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -1.848 5.463 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -1.370 7.147 1.249 1.00 0.00 H new ATOM 0 HG LEU A 70 -1.817 6.057 -0.954 1.00 0.00 H new ATOM 0 HD11 LEU A 70 0.134 7.020 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -0.490 8.091 -0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.985 7.135 -0.539 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -0.122 4.555 -1.908 1.00 0.00 H new ATOM 0 HD22 LEU A 70 0.713 4.507 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.930 3.841 -0.492 1.00 0.00 H new ATOM 1101 N TYR A 71 2.280 6.348 0.834 1.00 0.00 N ATOM 1102 CA TYR A 71 3.448 7.154 0.520 1.00 0.00 C ATOM 1103 C TYR A 71 3.722 7.158 -0.985 1.00 0.00 C ATOM 1104 O TYR A 71 3.107 6.399 -1.734 1.00 0.00 O ATOM 1105 CB TYR A 71 4.624 6.490 1.238 1.00 0.00 C ATOM 1106 CG TYR A 71 4.663 6.755 2.745 1.00 0.00 C ATOM 1107 CD1 TYR A 71 3.703 6.202 3.567 1.00 0.00 C ATOM 1108 CD2 TYR A 71 5.658 7.547 3.281 1.00 0.00 C ATOM 1109 CE1 TYR A 71 3.739 6.451 4.985 1.00 0.00 C ATOM 1110 CE2 TYR A 71 5.694 7.797 4.699 1.00 0.00 C ATOM 1111 CZ TYR A 71 4.733 7.236 5.481 1.00 0.00 C ATOM 1112 OH TYR A 71 4.767 7.472 6.820 1.00 0.00 O ATOM 0 H TYR A 71 2.246 5.444 0.363 1.00 0.00 H new ATOM 0 HA TYR A 71 3.297 8.187 0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 71 4.578 5.414 1.070 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.554 6.843 0.793 1.00 0.00 H new ATOM 0 HD1 TYR A 71 2.924 5.582 3.147 1.00 0.00 H new ATOM 0 HD2 TYR A 71 6.410 7.979 2.637 1.00 0.00 H new ATOM 0 HE1 TYR A 71 2.994 6.024 5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.466 8.416 5.131 1.00 0.00 H new ATOM 0 HH TYR A 71 4.018 8.054 7.069 1.00 0.00 H new ATOM 1122 N THR A 72 4.645 8.020 -1.384 1.00 0.00 N ATOM 1123 CA THR A 72 5.008 8.133 -2.787 1.00 0.00 C ATOM 1124 C THR A 72 6.515 7.935 -2.965 1.00 0.00 C ATOM 1125 O THR A 72 7.308 8.415 -2.156 1.00 0.00 O ATOM 1126 CB THR A 72 4.508 9.486 -3.297 1.00 0.00 C ATOM 1127 OG1 THR A 72 4.784 10.385 -2.226 1.00 0.00 O ATOM 1128 CG2 THR A 72 2.985 9.532 -3.439 1.00 0.00 C ATOM 0 H THR A 72 5.153 8.647 -0.760 1.00 0.00 H new ATOM 0 HA THR A 72 4.537 7.351 -3.382 1.00 0.00 H new ATOM 0 HB THR A 72 4.969 9.703 -4.260 1.00 0.00 H new ATOM 0 HG1 THR A 72 4.492 11.287 -2.473 1.00 0.00 H new ATOM 0 HG21 THR A 72 2.683 10.514 -3.804 1.00 0.00 H new ATOM 0 HG22 THR A 72 2.662 8.767 -4.145 1.00 0.00 H new ATOM 0 HG23 THR A 72 2.523 9.348 -2.469 1.00 0.00 H new ATOM 1136 N LEU A 73 6.864 7.228 -4.030 1.00 0.00 N ATOM 1137 CA LEU A 73 8.262 6.961 -4.325 1.00 0.00 C ATOM 1138 C LEU A 73 8.816 8.082 -5.207 1.00 0.00 C ATOM 1139 O LEU A 73 8.189 8.468 -6.192 1.00 0.00 O ATOM 1140 CB LEU A 73 8.425 5.565 -4.929 1.00 0.00 C ATOM 1141 CG LEU A 73 9.823 5.215 -5.443 1.00 0.00 C ATOM 1142 CD1 LEU A 73 10.902 5.737 -4.493 1.00 0.00 C ATOM 1143 CD2 LEU A 73 9.955 3.712 -5.691 1.00 0.00 C ATOM 0 H LEU A 73 6.203 6.832 -4.699 1.00 0.00 H new ATOM 0 HA LEU A 73 8.851 6.957 -3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.142 4.830 -4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 73 7.720 5.463 -5.754 1.00 0.00 H new ATOM 0 HG LEU A 73 9.970 5.713 -6.401 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.886 5.475 -4.881 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.821 6.821 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.769 5.288 -3.509 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.958 3.490 -6.056 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.780 3.173 -4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.221 3.400 -6.434 1.00 0.00 H new ATOM 1155 N SER A 74 9.984 8.572 -4.821 1.00 0.00 N ATOM 1156 CA SER A 74 10.629 9.641 -5.565 1.00 0.00 C ATOM 1157 C SER A 74 11.323 9.072 -6.804 1.00 0.00 C ATOM 1158 O SER A 74 12.296 8.328 -6.688 1.00 0.00 O ATOM 1159 CB SER A 74 11.636 10.391 -4.690 1.00 0.00 C ATOM 1160 OG SER A 74 10.994 11.272 -3.773 1.00 0.00 O ATOM 0 H SER A 74 10.501 8.249 -4.003 1.00 0.00 H new ATOM 0 HA SER A 74 9.863 10.350 -5.879 1.00 0.00 H new ATOM 0 HB2 SER A 74 12.243 9.673 -4.138 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.315 10.960 -5.325 1.00 0.00 H new ATOM 0 HG SER A 74 10.881 12.152 -4.189 1.00 0.00 H new ATOM 1166 N GLY A 75 10.796 9.442 -7.961 1.00 0.00 N ATOM 1167 CA GLY A 75 11.352 8.978 -9.220 1.00 0.00 C ATOM 1168 C GLY A 75 12.773 9.509 -9.421 1.00 0.00 C ATOM 1169 O GLY A 75 13.601 8.853 -10.052 1.00 0.00 O ATOM 0 H GLY A 75 9.989 10.059 -8.053 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.361 7.888 -9.238 1.00 0.00 H new ATOM 0 HA3 GLY A 75 10.718 9.305 -10.044 1.00 0.00 H new ATOM 1173 N GLU A 76 13.012 10.690 -8.872 1.00 0.00 N ATOM 1174 CA GLU A 76 14.318 11.317 -8.982 1.00 0.00 C ATOM 1175 C GLU A 76 15.373 10.476 -8.261 1.00 0.00 C ATOM 1176 O GLU A 76 16.539 10.466 -8.652 1.00 0.00 O ATOM 1177 CB GLU A 76 14.289 12.746 -8.437 1.00 0.00 C ATOM 1178 CG GLU A 76 13.718 12.780 -7.018 1.00 0.00 C ATOM 1179 CD GLU A 76 12.407 13.568 -6.974 1.00 0.00 C ATOM 1180 OE1 GLU A 76 12.365 14.637 -7.620 1.00 0.00 O ATOM 1181 OE2 GLU A 76 11.476 13.083 -6.295 1.00 0.00 O ATOM 0 H GLU A 76 12.323 11.230 -8.349 1.00 0.00 H new ATOM 0 HA GLU A 76 14.585 11.372 -10.037 1.00 0.00 H new ATOM 0 HB2 GLU A 76 15.297 13.160 -8.437 1.00 0.00 H new ATOM 0 HB3 GLU A 76 13.686 13.376 -9.091 1.00 0.00 H new ATOM 0 HG2 GLU A 76 13.547 11.763 -6.666 1.00 0.00 H new ATOM 0 HG3 GLU A 76 14.442 13.234 -6.341 1.00 0.00 H new ATOM 1188 N THR A 77 14.925 9.789 -7.219 1.00 0.00 N ATOM 1189 CA THR A 77 15.816 8.947 -6.439 1.00 0.00 C ATOM 1190 C THR A 77 15.139 7.615 -6.111 1.00 0.00 C ATOM 1191 O THR A 77 14.364 7.095 -6.912 1.00 0.00 O ATOM 1192 CB THR A 77 16.244 9.733 -5.198 1.00 0.00 C ATOM 1193 OG1 THR A 77 15.104 9.682 -4.345 1.00 0.00 O ATOM 1194 CG2 THR A 77 16.428 11.225 -5.484 1.00 0.00 C ATOM 0 H THR A 77 13.957 9.799 -6.897 1.00 0.00 H new ATOM 0 HA THR A 77 16.712 8.690 -7.003 1.00 0.00 H new ATOM 0 HB THR A 77 17.175 9.320 -4.811 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.289 10.180 -3.521 1.00 0.00 H new ATOM 0 HG21 THR A 77 16.732 11.736 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 77 17.196 11.357 -6.246 1.00 0.00 H new ATOM 0 HG23 THR A 77 15.488 11.646 -5.840 1.00 0.00 H new ATOM 1202 N GLU A 78 15.457 7.101 -4.932 1.00 0.00 N ATOM 1203 CA GLU A 78 14.889 5.839 -4.488 1.00 0.00 C ATOM 1204 C GLU A 78 14.125 6.033 -3.177 1.00 0.00 C ATOM 1205 O GLU A 78 13.527 5.092 -2.658 1.00 0.00 O ATOM 1206 CB GLU A 78 15.975 4.772 -4.338 1.00 0.00 C ATOM 1207 CG GLU A 78 16.855 4.705 -5.587 1.00 0.00 C ATOM 1208 CD GLU A 78 17.965 3.665 -5.421 1.00 0.00 C ATOM 1209 OE1 GLU A 78 18.769 3.839 -4.480 1.00 0.00 O ATOM 1210 OE2 GLU A 78 17.984 2.720 -6.239 1.00 0.00 O ATOM 0 H GLU A 78 16.101 7.535 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 78 14.187 5.492 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 78 16.591 4.995 -3.467 1.00 0.00 H new ATOM 0 HB3 GLU A 78 15.513 3.800 -4.162 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.244 4.454 -6.454 1.00 0.00 H new ATOM 0 HG3 GLU A 78 17.295 5.684 -5.779 1.00 0.00 H new ATOM 1217 N GLU A 79 14.169 7.260 -2.679 1.00 0.00 N ATOM 1218 CA GLU A 79 13.489 7.589 -1.439 1.00 0.00 C ATOM 1219 C GLU A 79 11.995 7.800 -1.692 1.00 0.00 C ATOM 1220 O GLU A 79 11.582 8.038 -2.826 1.00 0.00 O ATOM 1221 CB GLU A 79 14.112 8.822 -0.782 1.00 0.00 C ATOM 1222 CG GLU A 79 15.485 8.494 -0.192 1.00 0.00 C ATOM 1223 CD GLU A 79 16.519 8.276 -1.299 1.00 0.00 C ATOM 1224 OE1 GLU A 79 16.839 9.273 -1.981 1.00 0.00 O ATOM 1225 OE2 GLU A 79 16.966 7.116 -1.437 1.00 0.00 O ATOM 0 H GLU A 79 14.666 8.038 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 79 13.607 6.752 -0.751 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.210 9.620 -1.518 1.00 0.00 H new ATOM 0 HB3 GLU A 79 13.453 9.192 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 79 15.809 9.306 0.458 1.00 0.00 H new ATOM 0 HG3 GLU A 79 15.415 7.599 0.427 1.00 0.00 H new ATOM 1232 N LEU A 80 11.225 7.704 -0.618 1.00 0.00 N ATOM 1233 CA LEU A 80 9.786 7.881 -0.710 1.00 0.00 C ATOM 1234 C LEU A 80 9.402 9.229 -0.098 1.00 0.00 C ATOM 1235 O LEU A 80 10.271 10.033 0.237 1.00 0.00 O ATOM 1236 CB LEU A 80 9.059 6.691 -0.082 1.00 0.00 C ATOM 1237 CG LEU A 80 9.153 5.368 -0.845 1.00 0.00 C ATOM 1238 CD1 LEU A 80 9.630 4.239 0.071 1.00 0.00 C ATOM 1239 CD2 LEU A 80 7.825 5.031 -1.526 1.00 0.00 C ATOM 0 H LEU A 80 11.571 7.506 0.321 1.00 0.00 H new ATOM 0 HA LEU A 80 9.471 7.903 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.455 6.537 0.922 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.006 6.950 0.027 1.00 0.00 H new ATOM 0 HG LEU A 80 9.898 5.481 -1.632 1.00 0.00 H new ATOM 0 HD11 LEU A 80 9.688 3.310 -0.496 1.00 0.00 H new ATOM 0 HD12 LEU A 80 10.615 4.484 0.468 1.00 0.00 H new ATOM 0 HD13 LEU A 80 8.927 4.118 0.895 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.920 4.086 -2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.042 4.945 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 80 7.566 5.822 -2.230 1.00 0.00 H new ATOM 1251 N SER A 81 8.099 9.435 0.031 1.00 0.00 N ATOM 1252 CA SER A 81 7.590 10.673 0.597 1.00 0.00 C ATOM 1253 C SER A 81 6.242 10.421 1.277 1.00 0.00 C ATOM 1254 O SER A 81 5.377 9.749 0.718 1.00 0.00 O ATOM 1255 CB SER A 81 7.449 11.753 -0.477 1.00 0.00 C ATOM 1256 OG SER A 81 6.870 12.948 0.041 1.00 0.00 O ATOM 0 H SER A 81 7.381 8.766 -0.247 1.00 0.00 H new ATOM 0 HA SER A 81 8.304 11.029 1.340 1.00 0.00 H new ATOM 0 HB2 SER A 81 8.430 11.977 -0.897 1.00 0.00 H new ATOM 0 HB3 SER A 81 6.832 11.375 -1.293 1.00 0.00 H new ATOM 0 HG SER A 81 6.798 13.614 -0.675 1.00 0.00 H new ATOM 1262 N ARG A 82 6.107 10.974 2.473 1.00 0.00 N ATOM 1263 CA ARG A 82 4.879 10.818 3.235 1.00 0.00 C ATOM 1264 C ARG A 82 3.730 11.558 2.548 1.00 0.00 C ATOM 1265 O ARG A 82 3.656 12.785 2.603 1.00 0.00 O ATOM 1266 CB ARG A 82 5.043 11.353 4.659 1.00 0.00 C ATOM 1267 CG ARG A 82 3.855 10.952 5.536 1.00 0.00 C ATOM 1268 CD ARG A 82 3.830 11.765 6.831 1.00 0.00 C ATOM 1269 NE ARG A 82 2.444 12.183 7.140 1.00 0.00 N ATOM 1270 CZ ARG A 82 1.785 13.145 6.481 1.00 0.00 C ATOM 1271 NH1 ARG A 82 2.381 13.795 5.472 1.00 0.00 N ATOM 1272 NH2 ARG A 82 0.530 13.458 6.830 1.00 0.00 N ATOM 0 H ARG A 82 6.827 11.531 2.933 1.00 0.00 H new ATOM 0 HA ARG A 82 4.652 9.753 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 82 5.966 10.967 5.092 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.132 12.439 4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 82 2.926 11.106 4.988 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.914 9.889 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 82 4.230 11.170 7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 82 4.470 12.642 6.732 1.00 0.00 H new ATOM 0 HE ARG A 82 1.960 11.709 7.903 1.00 0.00 H new ATOM 0 HH11 ARG A 82 3.336 13.557 5.206 1.00 0.00 H new ATOM 0 HH12 ARG A 82 1.879 14.528 4.970 1.00 0.00 H new ATOM 0 HH21 ARG A 82 0.076 12.964 7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 82 0.029 14.191 6.328 1.00 0.00 H new ATOM 1286 N LEU A 83 2.862 10.782 1.916 1.00 0.00 N ATOM 1287 CA LEU A 83 1.720 11.349 1.219 1.00 0.00 C ATOM 1288 C LEU A 83 0.646 11.735 2.238 1.00 0.00 C ATOM 1289 O LEU A 83 0.288 12.906 2.354 1.00 0.00 O ATOM 1290 CB LEU A 83 1.223 10.389 0.136 1.00 0.00 C ATOM 1291 CG LEU A 83 0.141 10.935 -0.798 1.00 0.00 C ATOM 1292 CD1 LEU A 83 0.580 12.255 -1.433 1.00 0.00 C ATOM 1293 CD2 LEU A 83 -0.250 9.895 -1.850 1.00 0.00 C ATOM 0 H LEU A 83 2.927 9.765 1.872 1.00 0.00 H new ATOM 0 HA LEU A 83 2.007 12.262 0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.076 10.082 -0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 83 0.837 9.493 0.622 1.00 0.00 H new ATOM 0 HG LEU A 83 -0.749 11.144 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.207 12.621 -2.092 1.00 0.00 H new ATOM 0 HD12 LEU A 83 0.769 12.990 -0.651 1.00 0.00 H new ATOM 0 HD13 LEU A 83 1.491 12.096 -2.010 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.020 10.308 -2.501 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.625 9.632 -2.445 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.633 9.003 -1.355 1.00 0.00 H new ATOM 1305 N ALA A 84 0.163 10.729 2.952 1.00 0.00 N ATOM 1306 CA ALA A 84 -0.862 10.949 3.958 1.00 0.00 C ATOM 1307 C ALA A 84 -0.875 9.770 4.933 1.00 0.00 C ATOM 1308 O ALA A 84 -0.301 8.720 4.650 1.00 0.00 O ATOM 1309 CB ALA A 84 -2.215 11.153 3.272 1.00 0.00 C ATOM 0 H ALA A 84 0.463 9.759 2.854 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.648 11.850 4.533 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.984 11.318 4.026 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -2.162 12.019 2.613 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.464 10.267 2.688 1.00 0.00 H new ATOM 1315 N GLY A 85 -1.536 9.984 6.061 1.00 0.00 N ATOM 1316 CA GLY A 85 -1.631 8.953 7.080 1.00 0.00 C ATOM 1317 C GLY A 85 -0.912 9.380 8.362 1.00 0.00 C ATOM 1318 O GLY A 85 -1.400 10.238 9.095 1.00 0.00 O ATOM 0 H GLY A 85 -2.011 10.857 6.292 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -2.679 8.748 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -1.196 8.026 6.706 1.00 0.00 H new ATOM 1322 N TYR A 86 0.237 8.761 8.592 1.00 0.00 N ATOM 1323 CA TYR A 86 1.028 9.066 9.772 1.00 0.00 C ATOM 1324 C TYR A 86 2.284 8.193 9.831 1.00 0.00 C ATOM 1325 O TYR A 86 2.190 6.972 9.944 1.00 0.00 O ATOM 1326 CB TYR A 86 0.138 8.741 10.972 1.00 0.00 C ATOM 1327 CG TYR A 86 0.875 8.744 12.313 1.00 0.00 C ATOM 1328 CD1 TYR A 86 1.578 7.627 12.716 1.00 0.00 C ATOM 1329 CD2 TYR A 86 0.837 9.863 13.119 1.00 0.00 C ATOM 1330 CE1 TYR A 86 2.272 7.630 13.978 1.00 0.00 C ATOM 1331 CE2 TYR A 86 1.531 9.867 14.381 1.00 0.00 C ATOM 1332 CZ TYR A 86 2.214 8.750 14.748 1.00 0.00 C ATOM 1333 OH TYR A 86 2.870 8.752 15.940 1.00 0.00 O ATOM 0 H TYR A 86 0.639 8.050 7.981 1.00 0.00 H new ATOM 0 HA TYR A 86 1.349 10.108 9.760 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -0.675 9.465 11.015 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -0.315 7.761 10.820 1.00 0.00 H new ATOM 0 HD1 TYR A 86 1.608 6.751 12.085 1.00 0.00 H new ATOM 0 HD2 TYR A 86 0.286 10.737 12.803 1.00 0.00 H new ATOM 0 HE1 TYR A 86 2.826 6.763 14.306 1.00 0.00 H new ATOM 0 HE2 TYR A 86 1.509 10.737 15.021 1.00 0.00 H new ATOM 0 HH TYR A 86 2.742 9.617 16.382 1.00 0.00 H new ATOM 1343 N GLY A 87 3.429 8.854 9.752 1.00 0.00 N ATOM 1344 CA GLY A 87 4.702 8.154 9.795 1.00 0.00 C ATOM 1345 C GLY A 87 5.867 9.120 9.573 1.00 0.00 C ATOM 1346 O GLY A 87 5.743 10.317 9.826 1.00 0.00 O ATOM 0 H GLY A 87 3.502 9.867 9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.815 7.657 10.759 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.719 7.376 9.031 1.00 0.00 H new ATOM 1350 N PRO A 88 7.003 8.548 9.089 1.00 0.00 N ATOM 1351 CA PRO A 88 8.189 9.345 8.830 1.00 0.00 C ATOM 1352 C PRO A 88 8.024 10.176 7.556 1.00 0.00 C ATOM 1353 O PRO A 88 7.683 9.642 6.502 1.00 0.00 O ATOM 1354 CB PRO A 88 9.326 8.341 8.740 1.00 0.00 C ATOM 1355 CG PRO A 88 8.672 6.992 8.489 1.00 0.00 C ATOM 1356 CD PRO A 88 7.186 7.134 8.778 1.00 0.00 C ATOM 0 HA PRO A 88 8.383 10.077 9.614 1.00 0.00 H new ATOM 0 HB2 PRO A 88 10.012 8.599 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 88 9.909 8.327 9.661 1.00 0.00 H new ATOM 0 HG2 PRO A 88 8.832 6.676 7.458 1.00 0.00 H new ATOM 0 HG3 PRO A 88 9.114 6.228 9.129 1.00 0.00 H new ATOM 0 HD2 PRO A 88 6.585 6.837 7.919 1.00 0.00 H new ATOM 0 HD3 PRO A 88 6.883 6.502 9.613 1.00 0.00 H new ATOM 1364 N ARG A 89 8.273 11.470 7.695 1.00 0.00 N ATOM 1365 CA ARG A 89 8.156 12.380 6.569 1.00 0.00 C ATOM 1366 C ARG A 89 8.635 11.700 5.285 1.00 0.00 C ATOM 1367 O ARG A 89 7.924 11.691 4.280 1.00 0.00 O ATOM 1368 CB ARG A 89 8.975 13.652 6.800 1.00 0.00 C ATOM 1369 CG ARG A 89 10.438 13.315 7.098 1.00 0.00 C ATOM 1370 CD ARG A 89 11.113 14.446 7.876 1.00 0.00 C ATOM 1371 NE ARG A 89 11.333 15.610 6.988 1.00 0.00 N ATOM 1372 CZ ARG A 89 12.260 15.653 6.021 1.00 0.00 C ATOM 1373 NH1 ARG A 89 13.059 14.598 5.812 1.00 0.00 N ATOM 1374 NH2 ARG A 89 12.388 16.751 5.264 1.00 0.00 N ATOM 0 H ARG A 89 8.555 11.910 8.571 1.00 0.00 H new ATOM 0 HA ARG A 89 7.105 12.651 6.471 1.00 0.00 H new ATOM 0 HB2 ARG A 89 8.917 14.291 5.919 1.00 0.00 H new ATOM 0 HB3 ARG A 89 8.551 14.216 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 89 10.492 12.390 7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 89 10.973 13.142 6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 89 10.492 14.737 8.723 1.00 0.00 H new ATOM 0 HD3 ARG A 89 12.065 14.102 8.281 1.00 0.00 H new ATOM 0 HE ARG A 89 10.742 16.431 7.120 1.00 0.00 H new ATOM 0 HH11 ARG A 89 12.962 13.762 6.389 1.00 0.00 H new ATOM 0 HH12 ARG A 89 13.765 14.630 5.076 1.00 0.00 H new ATOM 0 HH21 ARG A 89 11.780 17.554 5.424 1.00 0.00 H new ATOM 0 HH22 ARG A 89 13.094 16.784 4.528 1.00 0.00 H new ATOM 1388 N THR A 90 9.836 11.146 5.359 1.00 0.00 N ATOM 1389 CA THR A 90 10.418 10.465 4.215 1.00 0.00 C ATOM 1390 C THR A 90 10.857 9.051 4.602 1.00 0.00 C ATOM 1391 O THR A 90 10.879 8.706 5.783 1.00 0.00 O ATOM 1392 CB THR A 90 11.561 11.331 3.680 1.00 0.00 C ATOM 1393 OG1 THR A 90 10.903 12.362 2.950 1.00 0.00 O ATOM 1394 CG2 THR A 90 12.401 10.606 2.626 1.00 0.00 C ATOM 0 H THR A 90 10.422 11.155 6.194 1.00 0.00 H new ATOM 0 HA THR A 90 9.687 10.337 3.417 1.00 0.00 H new ATOM 0 HB THR A 90 12.202 11.638 4.507 1.00 0.00 H new ATOM 0 HG1 THR A 90 11.570 12.971 2.570 1.00 0.00 H new ATOM 0 HG21 THR A 90 13.198 11.264 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 90 12.837 9.708 3.063 1.00 0.00 H new ATOM 0 HG23 THR A 90 11.767 10.329 1.783 1.00 0.00 H new ATOM 1402 N VAL A 91 11.194 8.272 3.586 1.00 0.00 N ATOM 1403 CA VAL A 91 11.631 6.903 3.805 1.00 0.00 C ATOM 1404 C VAL A 91 12.709 6.546 2.780 1.00 0.00 C ATOM 1405 O VAL A 91 12.659 6.998 1.637 1.00 0.00 O ATOM 1406 CB VAL A 91 10.429 5.957 3.763 1.00 0.00 C ATOM 1407 CG1 VAL A 91 10.877 4.497 3.855 1.00 0.00 C ATOM 1408 CG2 VAL A 91 9.427 6.294 4.869 1.00 0.00 C ATOM 0 H VAL A 91 11.174 8.562 2.608 1.00 0.00 H new ATOM 0 HA VAL A 91 12.076 6.798 4.794 1.00 0.00 H new ATOM 0 HB VAL A 91 9.928 6.094 2.805 1.00 0.00 H new ATOM 0 HG11 VAL A 91 10.004 3.846 3.823 1.00 0.00 H new ATOM 0 HG12 VAL A 91 11.534 4.264 3.017 1.00 0.00 H new ATOM 0 HG13 VAL A 91 11.413 4.339 4.791 1.00 0.00 H new ATOM 0 HG21 VAL A 91 8.583 5.607 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 91 9.912 6.199 5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 91 9.072 7.316 4.739 1.00 0.00 H new ATOM 1418 N THR A 92 13.660 5.738 3.227 1.00 0.00 N ATOM 1419 CA THR A 92 14.749 5.315 2.362 1.00 0.00 C ATOM 1420 C THR A 92 14.788 3.789 2.262 1.00 0.00 C ATOM 1421 O THR A 92 14.162 3.095 3.061 1.00 0.00 O ATOM 1422 CB THR A 92 16.045 5.922 2.903 1.00 0.00 C ATOM 1423 OG1 THR A 92 16.390 5.082 4.001 1.00 0.00 O ATOM 1424 CG2 THR A 92 15.827 7.297 3.540 1.00 0.00 C ATOM 0 H THR A 92 13.699 5.365 4.176 1.00 0.00 H new ATOM 0 HA THR A 92 14.607 5.673 1.342 1.00 0.00 H new ATOM 0 HB THR A 92 16.771 6.008 2.094 1.00 0.00 H new ATOM 0 HG1 THR A 92 17.221 5.403 4.410 1.00 0.00 H new ATOM 0 HG21 THR A 92 16.778 7.683 3.908 1.00 0.00 H new ATOM 0 HG22 THR A 92 15.421 7.982 2.796 1.00 0.00 H new ATOM 0 HG23 THR A 92 15.127 7.206 4.371 1.00 0.00 H new ATOM 1432 N PRO A 93 15.551 3.299 1.248 1.00 0.00 N ATOM 1433 CA PRO A 93 15.680 1.868 1.033 1.00 0.00 C ATOM 1434 C PRO A 93 16.604 1.238 2.078 1.00 0.00 C ATOM 1435 O PRO A 93 16.741 0.017 2.135 1.00 0.00 O ATOM 1436 CB PRO A 93 16.207 1.729 -0.386 1.00 0.00 C ATOM 1437 CG PRO A 93 16.791 3.085 -0.748 1.00 0.00 C ATOM 1438 CD PRO A 93 16.307 4.092 0.283 1.00 0.00 C ATOM 0 HA PRO A 93 14.734 1.339 1.146 1.00 0.00 H new ATOM 0 HB2 PRO A 93 16.965 0.948 -0.446 1.00 0.00 H new ATOM 0 HB3 PRO A 93 15.408 1.451 -1.074 1.00 0.00 H new ATOM 0 HG2 PRO A 93 17.880 3.041 -0.757 1.00 0.00 H new ATOM 0 HG3 PRO A 93 16.476 3.382 -1.748 1.00 0.00 H new ATOM 0 HD2 PRO A 93 17.143 4.604 0.759 1.00 0.00 H new ATOM 0 HD3 PRO A 93 15.683 4.859 -0.175 1.00 0.00 H new ATOM 1446 N ALA A 94 17.213 2.100 2.879 1.00 0.00 N ATOM 1447 CA ALA A 94 18.120 1.643 3.918 1.00 0.00 C ATOM 1448 C ALA A 94 17.330 1.393 5.204 1.00 0.00 C ATOM 1449 O ALA A 94 17.853 0.816 6.156 1.00 0.00 O ATOM 1450 CB ALA A 94 19.236 2.671 4.110 1.00 0.00 C ATOM 0 H ALA A 94 17.096 3.112 2.829 1.00 0.00 H new ATOM 0 HA ALA A 94 18.590 0.702 3.631 1.00 0.00 H new ATOM 0 HB1 ALA A 94 19.916 2.328 4.889 1.00 0.00 H new ATOM 0 HB2 ALA A 94 19.785 2.791 3.176 1.00 0.00 H new ATOM 0 HB3 ALA A 94 18.803 3.628 4.402 1.00 0.00 H new ATOM 1456 N MET A 95 16.083 1.841 5.192 1.00 0.00 N ATOM 1457 CA MET A 95 15.215 1.674 6.345 1.00 0.00 C ATOM 1458 C MET A 95 14.159 0.598 6.086 1.00 0.00 C ATOM 1459 O MET A 95 13.636 -0.002 7.023 1.00 0.00 O ATOM 1460 CB MET A 95 14.525 3.002 6.662 1.00 0.00 C ATOM 1461 CG MET A 95 15.453 3.929 7.449 1.00 0.00 C ATOM 1462 SD MET A 95 14.499 4.939 8.570 1.00 0.00 S ATOM 1463 CE MET A 95 13.038 5.206 7.580 1.00 0.00 C ATOM 0 H MET A 95 15.653 2.320 4.401 1.00 0.00 H new ATOM 0 HA MET A 95 15.825 1.360 7.192 1.00 0.00 H new ATOM 0 HB2 MET A 95 14.221 3.488 5.735 1.00 0.00 H new ATOM 0 HB3 MET A 95 13.618 2.816 7.237 1.00 0.00 H new ATOM 0 HG2 MET A 95 16.181 3.340 8.007 1.00 0.00 H new ATOM 0 HG3 MET A 95 16.014 4.563 6.763 1.00 0.00 H new ATOM 0 HE1 MET A 95 12.492 6.068 7.963 1.00 0.00 H new ATOM 0 HE2 MET A 95 13.328 5.390 6.546 1.00 0.00 H new ATOM 0 HE3 MET A 95 12.401 4.323 7.627 1.00 0.00 H new ATOM 1473 N VAL A 96 13.877 0.387 4.808 1.00 0.00 N ATOM 1474 CA VAL A 96 12.893 -0.607 4.414 1.00 0.00 C ATOM 1475 C VAL A 96 13.429 -2.004 4.732 1.00 0.00 C ATOM 1476 O VAL A 96 14.545 -2.348 4.345 1.00 0.00 O ATOM 1477 CB VAL A 96 12.531 -0.427 2.938 1.00 0.00 C ATOM 1478 CG1 VAL A 96 13.730 -0.735 2.038 1.00 0.00 C ATOM 1479 CG2 VAL A 96 11.325 -1.290 2.560 1.00 0.00 C ATOM 0 H VAL A 96 14.313 0.887 4.033 1.00 0.00 H new ATOM 0 HA VAL A 96 11.971 -0.477 4.980 1.00 0.00 H new ATOM 0 HB VAL A 96 12.257 0.617 2.785 1.00 0.00 H new ATOM 0 HG11 VAL A 96 13.446 -0.599 0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 96 14.550 -0.060 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 96 14.049 -1.765 2.196 1.00 0.00 H new ATOM 0 HG21 VAL A 96 11.089 -1.143 1.506 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.559 -2.340 2.737 1.00 0.00 H new ATOM 0 HG23 VAL A 96 10.467 -1.002 3.168 1.00 0.00 H new ATOM 1489 N GLU A 97 12.608 -2.772 5.434 1.00 0.00 N ATOM 1490 CA GLU A 97 12.986 -4.124 5.808 1.00 0.00 C ATOM 1491 C GLU A 97 12.788 -5.077 4.628 1.00 0.00 C ATOM 1492 O GLU A 97 13.688 -5.842 4.285 1.00 0.00 O ATOM 1493 CB GLU A 97 12.196 -4.595 7.031 1.00 0.00 C ATOM 1494 CG GLU A 97 12.556 -6.037 7.395 1.00 0.00 C ATOM 1495 CD GLU A 97 11.336 -6.788 7.931 1.00 0.00 C ATOM 1496 OE1 GLU A 97 10.292 -6.737 7.246 1.00 0.00 O ATOM 1497 OE2 GLU A 97 11.475 -7.396 9.015 1.00 0.00 O ATOM 0 H GLU A 97 11.683 -2.484 5.753 1.00 0.00 H new ATOM 0 HA GLU A 97 14.043 -4.124 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 97 12.404 -3.940 7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 97 11.128 -4.523 6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 97 12.947 -6.551 6.517 1.00 0.00 H new ATOM 0 HG3 GLU A 97 13.347 -6.040 8.144 1.00 0.00 H new ATOM 1504 N GLY A 98 11.604 -4.999 4.037 1.00 0.00 N ATOM 1505 CA GLY A 98 11.277 -5.845 2.902 1.00 0.00 C ATOM 1506 C GLY A 98 10.287 -5.148 1.967 1.00 0.00 C ATOM 1507 O GLY A 98 9.466 -4.347 2.411 1.00 0.00 O ATOM 0 H GLY A 98 10.860 -4.363 4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.186 -6.093 2.355 1.00 0.00 H new ATOM 0 HA3 GLY A 98 10.851 -6.784 3.255 1.00 0.00 H new ATOM 1511 N ILE A 99 10.397 -5.479 0.688 1.00 0.00 N ATOM 1512 CA ILE A 99 9.522 -4.895 -0.314 1.00 0.00 C ATOM 1513 C ILE A 99 8.610 -5.983 -0.885 1.00 0.00 C ATOM 1514 O ILE A 99 8.945 -7.166 -0.838 1.00 0.00 O ATOM 1515 CB ILE A 99 10.340 -4.158 -1.376 1.00 0.00 C ATOM 1516 CG1 ILE A 99 11.665 -4.875 -1.642 1.00 0.00 C ATOM 1517 CG2 ILE A 99 10.550 -2.693 -0.988 1.00 0.00 C ATOM 1518 CD1 ILE A 99 12.392 -4.259 -2.840 1.00 0.00 C ATOM 0 H ILE A 99 11.079 -6.144 0.323 1.00 0.00 H new ATOM 0 HA ILE A 99 8.876 -4.142 0.137 1.00 0.00 H new ATOM 0 HB ILE A 99 9.775 -4.167 -2.308 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.299 -4.815 -0.757 1.00 0.00 H new ATOM 0 HG13 ILE A 99 11.479 -5.932 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.134 -2.192 -1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 99 9.583 -2.201 -0.889 1.00 0.00 H new ATOM 0 HG23 ILE A 99 11.083 -2.641 -0.039 1.00 0.00 H new ATOM 0 HD11 ILE A 99 13.331 -4.787 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 99 11.766 -4.343 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 99 12.598 -3.208 -2.639 1.00 0.00 H new ATOM 1530 N TYR A 100 7.476 -5.544 -1.411 1.00 0.00 N ATOM 1531 CA TYR A 100 6.514 -6.466 -1.991 1.00 0.00 C ATOM 1532 C TYR A 100 5.760 -5.813 -3.151 1.00 0.00 C ATOM 1533 O TYR A 100 5.589 -4.595 -3.179 1.00 0.00 O ATOM 1534 CB TYR A 100 5.521 -6.796 -0.875 1.00 0.00 C ATOM 1535 CG TYR A 100 6.181 -7.179 0.452 1.00 0.00 C ATOM 1536 CD1 TYR A 100 6.832 -6.221 1.201 1.00 0.00 C ATOM 1537 CD2 TYR A 100 6.124 -8.484 0.899 1.00 0.00 C ATOM 1538 CE1 TYR A 100 7.453 -6.582 2.449 1.00 0.00 C ATOM 1539 CE2 TYR A 100 6.744 -8.845 2.147 1.00 0.00 C ATOM 1540 CZ TYR A 100 7.378 -7.876 2.860 1.00 0.00 C ATOM 1541 OH TYR A 100 7.965 -8.217 4.039 1.00 0.00 O ATOM 0 H TYR A 100 7.202 -4.562 -1.448 1.00 0.00 H new ATOM 0 HA TYR A 100 7.017 -7.352 -2.379 1.00 0.00 H new ATOM 0 HB2 TYR A 100 4.874 -5.934 -0.712 1.00 0.00 H new ATOM 0 HB3 TYR A 100 4.882 -7.617 -1.202 1.00 0.00 H new ATOM 0 HD1 TYR A 100 6.876 -5.200 0.851 1.00 0.00 H new ATOM 0 HD2 TYR A 100 5.614 -9.234 0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 100 7.967 -5.842 3.045 1.00 0.00 H new ATOM 0 HE2 TYR A 100 6.707 -9.862 2.509 1.00 0.00 H new ATOM 0 HH TYR A 100 7.831 -9.173 4.207 1.00 0.00 H new ATOM 1551 N LYS A 101 5.330 -6.653 -4.082 1.00 0.00 N ATOM 1552 CA LYS A 101 4.598 -6.173 -5.242 1.00 0.00 C ATOM 1553 C LYS A 101 3.108 -6.470 -5.059 1.00 0.00 C ATOM 1554 O LYS A 101 2.707 -7.056 -4.054 1.00 0.00 O ATOM 1555 CB LYS A 101 5.188 -6.757 -6.527 1.00 0.00 C ATOM 1556 CG LYS A 101 4.927 -8.262 -6.615 1.00 0.00 C ATOM 1557 CD LYS A 101 6.239 -9.040 -6.728 1.00 0.00 C ATOM 1558 CE LYS A 101 6.422 -9.605 -8.138 1.00 0.00 C ATOM 1559 NZ LYS A 101 7.849 -9.903 -8.396 1.00 0.00 N ATOM 0 H LYS A 101 5.475 -7.662 -4.056 1.00 0.00 H new ATOM 0 HA LYS A 101 4.699 -5.092 -5.335 1.00 0.00 H new ATOM 0 HB2 LYS A 101 4.751 -6.257 -7.392 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.261 -6.568 -6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 101 4.379 -8.592 -5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 101 4.298 -8.476 -7.479 1.00 0.00 H new ATOM 0 HD2 LYS A 101 7.076 -8.386 -6.483 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.247 -9.853 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 101 5.829 -10.512 -8.253 1.00 0.00 H new ATOM 0 HE3 LYS A 101 6.055 -8.889 -8.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 7.955 -10.286 -9.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 8.408 -9.030 -8.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 8.188 -10.603 -7.705 1.00 0.00 H new ATOM 1573 N TYR A 102 2.329 -6.052 -6.045 1.00 0.00 N ATOM 1574 CA TYR A 102 0.892 -6.266 -6.005 1.00 0.00 C ATOM 1575 C TYR A 102 0.421 -7.052 -7.230 1.00 0.00 C ATOM 1576 O TYR A 102 0.446 -6.540 -8.348 1.00 0.00 O ATOM 1577 CB TYR A 102 0.257 -4.875 -6.032 1.00 0.00 C ATOM 1578 CG TYR A 102 -1.268 -4.888 -6.151 1.00 0.00 C ATOM 1579 CD1 TYR A 102 -1.862 -4.999 -7.392 1.00 0.00 C ATOM 1580 CD2 TYR A 102 -2.050 -4.791 -5.018 1.00 0.00 C ATOM 1581 CE1 TYR A 102 -3.298 -5.012 -7.504 1.00 0.00 C ATOM 1582 CE2 TYR A 102 -3.485 -4.804 -5.131 1.00 0.00 C ATOM 1583 CZ TYR A 102 -4.038 -4.914 -6.368 1.00 0.00 C ATOM 1584 OH TYR A 102 -5.394 -4.926 -6.474 1.00 0.00 O ATOM 0 H TYR A 102 2.665 -5.566 -6.877 1.00 0.00 H new ATOM 0 HA TYR A 102 0.614 -6.835 -5.118 1.00 0.00 H new ATOM 0 HB2 TYR A 102 0.535 -4.342 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 102 0.672 -4.314 -6.870 1.00 0.00 H new ATOM 0 HD1 TYR A 102 -1.250 -5.076 -8.279 1.00 0.00 H new ATOM 0 HD2 TYR A 102 -1.585 -4.705 -4.047 1.00 0.00 H new ATOM 0 HE1 TYR A 102 -3.776 -5.098 -8.469 1.00 0.00 H new ATOM 0 HE2 TYR A 102 -4.109 -4.728 -4.252 1.00 0.00 H new ATOM 0 HH TYR A 102 -5.709 -5.852 -6.539 1.00 0.00 H new ATOM 1594 N ASN A 103 0.002 -8.284 -6.979 1.00 0.00 N ATOM 1595 CA ASN A 103 -0.474 -9.146 -8.047 1.00 0.00 C ATOM 1596 C ASN A 103 -1.792 -8.593 -8.593 1.00 0.00 C ATOM 1597 O ASN A 103 -2.849 -8.800 -8.000 1.00 0.00 O ATOM 1598 CB ASN A 103 -0.732 -10.565 -7.537 1.00 0.00 C ATOM 1599 CG ASN A 103 0.264 -11.555 -8.144 1.00 0.00 C ATOM 1600 OD1 ASN A 103 -0.080 -12.409 -8.945 1.00 0.00 O ATOM 1601 ND2 ASN A 103 1.514 -11.395 -7.719 1.00 0.00 N ATOM 0 H ASN A 103 -0.018 -8.706 -6.050 1.00 0.00 H new ATOM 0 HA ASN A 103 0.291 -9.176 -8.823 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -0.653 -10.585 -6.450 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -1.749 -10.866 -7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 103 2.253 -12.007 -8.065 1.00 0.00 H new ATOM 0 HD22 ASN A 103 1.734 -10.660 -7.047 1.00 0.00 H new ATOM 1608 N SER A 104 -1.686 -7.901 -9.718 1.00 0.00 N ATOM 1609 CA SER A 104 -2.856 -7.317 -10.350 1.00 0.00 C ATOM 1610 C SER A 104 -3.619 -8.389 -11.131 1.00 0.00 C ATOM 1611 O SER A 104 -4.623 -8.094 -11.778 1.00 0.00 O ATOM 1612 CB SER A 104 -2.464 -6.164 -11.277 1.00 0.00 C ATOM 1613 OG SER A 104 -2.708 -4.893 -10.680 1.00 0.00 O ATOM 0 H SER A 104 -0.807 -7.732 -10.208 1.00 0.00 H new ATOM 0 HA SER A 104 -3.502 -6.916 -9.569 1.00 0.00 H new ATOM 0 HB2 SER A 104 -1.408 -6.248 -11.533 1.00 0.00 H new ATOM 0 HB3 SER A 104 -3.025 -6.241 -12.208 1.00 0.00 H new ATOM 0 HG SER A 104 -2.541 -4.947 -9.716 1.00 0.00 H new ATOM 1619 N ASP A 105 -3.113 -9.610 -11.044 1.00 0.00 N ATOM 1620 CA ASP A 105 -3.735 -10.728 -11.734 1.00 0.00 C ATOM 1621 C ASP A 105 -4.281 -11.718 -10.704 1.00 0.00 C ATOM 1622 O ASP A 105 -5.383 -12.241 -10.864 1.00 0.00 O ATOM 1623 CB ASP A 105 -2.720 -11.468 -12.609 1.00 0.00 C ATOM 1624 CG ASP A 105 -3.066 -11.518 -14.099 1.00 0.00 C ATOM 1625 OD1 ASP A 105 -4.187 -11.080 -14.436 1.00 0.00 O ATOM 1626 OD2 ASP A 105 -2.201 -11.993 -14.866 1.00 0.00 O ATOM 0 H ASP A 105 -2.280 -9.850 -10.507 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.534 -10.334 -12.362 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -1.747 -10.991 -12.493 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.621 -12.489 -12.240 1.00 0.00 H new ATOM 1631 N ARG A 106 -3.485 -11.946 -9.670 1.00 0.00 N ATOM 1632 CA ARG A 106 -3.875 -12.864 -8.613 1.00 0.00 C ATOM 1633 C ARG A 106 -4.517 -12.098 -7.454 1.00 0.00 C ATOM 1634 O ARG A 106 -4.974 -12.701 -6.484 1.00 0.00 O ATOM 1635 CB ARG A 106 -2.670 -13.648 -8.091 1.00 0.00 C ATOM 1636 CG ARG A 106 -2.146 -14.618 -9.152 1.00 0.00 C ATOM 1637 CD ARG A 106 -1.965 -16.022 -8.570 1.00 0.00 C ATOM 1638 NE ARG A 106 -0.524 -16.346 -8.470 1.00 0.00 N ATOM 1639 CZ ARG A 106 0.273 -15.928 -7.477 1.00 0.00 C ATOM 1640 NH1 ARG A 106 -0.226 -15.167 -6.493 1.00 0.00 N ATOM 1641 NH2 ARG A 106 1.568 -16.271 -7.468 1.00 0.00 N ATOM 0 H ARG A 106 -2.571 -11.511 -9.541 1.00 0.00 H new ATOM 0 HA ARG A 106 -4.596 -13.565 -9.033 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.878 -12.956 -7.803 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -2.952 -14.201 -7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -2.841 -14.655 -9.991 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -1.194 -14.257 -9.542 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -2.428 -16.079 -7.585 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -2.468 -16.754 -9.202 1.00 0.00 H new ATOM 0 HE ARG A 106 -0.112 -16.924 -9.203 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -1.212 -14.906 -6.500 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.380 -14.849 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.947 -16.850 -8.217 1.00 0.00 H new ATOM 0 HH22 ARG A 106 2.175 -15.953 -6.712 1.00 0.00 H new ATOM 1655 N LYS A 107 -4.531 -10.780 -7.594 1.00 0.00 N ATOM 1656 CA LYS A 107 -5.109 -9.926 -6.570 1.00 0.00 C ATOM 1657 C LYS A 107 -4.502 -10.283 -5.212 1.00 0.00 C ATOM 1658 O LYS A 107 -5.219 -10.392 -4.218 1.00 0.00 O ATOM 1659 CB LYS A 107 -6.636 -10.009 -6.603 1.00 0.00 C ATOM 1660 CG LYS A 107 -7.169 -9.757 -8.015 1.00 0.00 C ATOM 1661 CD LYS A 107 -8.459 -10.542 -8.262 1.00 0.00 C ATOM 1662 CE LYS A 107 -8.609 -10.897 -9.743 1.00 0.00 C ATOM 1663 NZ LYS A 107 -9.993 -11.334 -10.033 1.00 0.00 N ATOM 0 H LYS A 107 -4.152 -10.283 -8.400 1.00 0.00 H new ATOM 0 HA LYS A 107 -4.866 -8.881 -6.763 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -6.958 -10.992 -6.259 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.058 -9.277 -5.915 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -7.355 -8.692 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -6.417 -10.047 -8.749 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -8.454 -11.454 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -9.316 -9.952 -7.937 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -8.358 -10.033 -10.358 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.908 -11.689 -10.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -10.078 -11.571 -11.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -10.220 -12.172 -9.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -10.655 -10.566 -9.801 1.00 0.00 H new ATOM 1677 N ARG A 108 -3.189 -10.454 -5.213 1.00 0.00 N ATOM 1678 CA ARG A 108 -2.478 -10.796 -3.992 1.00 0.00 C ATOM 1679 C ARG A 108 -1.181 -9.991 -3.890 1.00 0.00 C ATOM 1680 O ARG A 108 -0.886 -9.170 -4.757 1.00 0.00 O ATOM 1681 CB ARG A 108 -2.148 -12.290 -3.947 1.00 0.00 C ATOM 1682 CG ARG A 108 -3.418 -13.128 -3.788 1.00 0.00 C ATOM 1683 CD ARG A 108 -3.418 -13.874 -2.452 1.00 0.00 C ATOM 1684 NE ARG A 108 -3.258 -15.327 -2.685 1.00 0.00 N ATOM 1685 CZ ARG A 108 -4.123 -16.075 -3.383 1.00 0.00 C ATOM 1686 NH1 ARG A 108 -5.214 -15.513 -3.921 1.00 0.00 N ATOM 1687 NH2 ARG A 108 -3.898 -17.387 -3.543 1.00 0.00 N ATOM 0 H ARG A 108 -2.598 -10.362 -6.039 1.00 0.00 H new ATOM 0 HA ARG A 108 -3.127 -10.553 -3.151 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -1.629 -12.579 -4.861 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -1.469 -12.491 -3.118 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -4.294 -12.482 -3.848 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -3.492 -13.843 -4.608 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -2.609 -13.507 -1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -4.349 -13.683 -1.919 1.00 0.00 H new ATOM 0 HE ARG A 108 -2.438 -15.787 -2.290 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.386 -14.515 -3.799 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -5.872 -16.083 -4.452 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -3.068 -17.816 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -4.557 -17.956 -4.074 1.00 0.00 H new ATOM 1701 N PHE A 109 -0.441 -10.254 -2.822 1.00 0.00 N ATOM 1702 CA PHE A 109 0.817 -9.564 -2.595 1.00 0.00 C ATOM 1703 C PHE A 109 1.993 -10.542 -2.632 1.00 0.00 C ATOM 1704 O PHE A 109 1.920 -11.628 -2.058 1.00 0.00 O ATOM 1705 CB PHE A 109 0.736 -8.933 -1.204 1.00 0.00 C ATOM 1706 CG PHE A 109 -0.024 -7.606 -1.165 1.00 0.00 C ATOM 1707 CD1 PHE A 109 0.512 -6.498 -1.744 1.00 0.00 C ATOM 1708 CD2 PHE A 109 -1.236 -7.534 -0.552 1.00 0.00 C ATOM 1709 CE1 PHE A 109 -0.193 -5.266 -1.709 1.00 0.00 C ATOM 1710 CE2 PHE A 109 -1.942 -6.302 -0.517 1.00 0.00 C ATOM 1711 CZ PHE A 109 -1.405 -5.194 -1.096 1.00 0.00 C ATOM 0 H PHE A 109 -0.689 -10.936 -2.105 1.00 0.00 H new ATOM 0 HA PHE A 109 0.977 -8.816 -3.372 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.253 -9.636 -0.525 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.747 -8.772 -0.830 1.00 0.00 H new ATOM 0 HD1 PHE A 109 1.474 -6.555 -2.231 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -1.662 -8.414 -0.092 1.00 0.00 H new ATOM 0 HE1 PHE A 109 0.233 -4.387 -2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.905 -6.245 -0.031 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.941 -4.257 -1.069 1.00 0.00 H new ATOM 1721 N THR A 110 3.050 -10.121 -3.311 1.00 0.00 N ATOM 1722 CA THR A 110 4.240 -10.947 -3.430 1.00 0.00 C ATOM 1723 C THR A 110 5.473 -10.177 -2.951 1.00 0.00 C ATOM 1724 O THR A 110 5.446 -8.950 -2.861 1.00 0.00 O ATOM 1725 CB THR A 110 4.344 -11.420 -4.881 1.00 0.00 C ATOM 1726 OG1 THR A 110 3.161 -12.188 -5.082 1.00 0.00 O ATOM 1727 CG2 THR A 110 5.480 -12.424 -5.089 1.00 0.00 C ATOM 0 H THR A 110 3.107 -9.219 -3.784 1.00 0.00 H new ATOM 0 HA THR A 110 4.177 -11.827 -2.790 1.00 0.00 H new ATOM 0 HB THR A 110 4.495 -10.560 -5.533 1.00 0.00 H new ATOM 0 HG1 THR A 110 3.146 -12.532 -5.999 1.00 0.00 H new ATOM 0 HG21 THR A 110 5.510 -12.728 -6.135 1.00 0.00 H new ATOM 0 HG22 THR A 110 6.429 -11.961 -4.818 1.00 0.00 H new ATOM 0 HG23 THR A 110 5.311 -13.299 -4.462 1.00 0.00 H new ATOM 1735 N GLN A 111 6.523 -10.929 -2.657 1.00 0.00 N ATOM 1736 CA GLN A 111 7.763 -10.333 -2.190 1.00 0.00 C ATOM 1737 C GLN A 111 8.692 -10.045 -3.372 1.00 0.00 C ATOM 1738 O GLN A 111 8.579 -10.676 -4.422 1.00 0.00 O ATOM 1739 CB GLN A 111 8.449 -11.231 -1.160 1.00 0.00 C ATOM 1740 CG GLN A 111 9.046 -10.402 -0.020 1.00 0.00 C ATOM 1741 CD GLN A 111 10.339 -11.034 0.499 1.00 0.00 C ATOM 1742 OE1 GLN A 111 10.463 -12.241 0.627 1.00 0.00 O ATOM 1743 NE2 GLN A 111 11.292 -10.154 0.790 1.00 0.00 N ATOM 0 H GLN A 111 6.541 -11.946 -2.733 1.00 0.00 H new ATOM 0 HA GLN A 111 7.527 -9.388 -1.700 1.00 0.00 H new ATOM 0 HB2 GLN A 111 7.730 -11.944 -0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 111 9.236 -11.810 -1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 111 9.247 -9.389 -0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 111 8.324 -10.322 0.793 1.00 0.00 H new ATOM 0 HE21 GLN A 111 11.122 -9.157 0.659 1.00 0.00 H new ATOM 0 HE22 GLN A 111 12.193 -10.476 1.144 1.00 0.00 H new ATOM 1752 N ILE A 112 9.588 -9.092 -3.161 1.00 0.00 N ATOM 1753 CA ILE A 112 10.535 -8.713 -4.196 1.00 0.00 C ATOM 1754 C ILE A 112 11.895 -9.344 -3.891 1.00 0.00 C ATOM 1755 O ILE A 112 12.300 -9.426 -2.732 1.00 0.00 O ATOM 1756 CB ILE A 112 10.582 -7.192 -4.348 1.00 0.00 C ATOM 1757 CG1 ILE A 112 9.238 -6.562 -3.978 1.00 0.00 C ATOM 1758 CG2 ILE A 112 11.034 -6.795 -5.754 1.00 0.00 C ATOM 1759 CD1 ILE A 112 8.186 -6.846 -5.052 1.00 0.00 C ATOM 0 H ILE A 112 9.678 -8.571 -2.289 1.00 0.00 H new ATOM 0 HA ILE A 112 10.215 -9.096 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 112 11.323 -6.802 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 112 8.900 -6.955 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 112 9.358 -5.485 -3.857 1.00 0.00 H new ATOM 0 HG21 ILE A 112 11.059 -5.708 -5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 112 12.030 -7.196 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 112 10.336 -7.198 -6.488 1.00 0.00 H new ATOM 0 HD11 ILE A 112 7.240 -6.387 -4.765 1.00 0.00 H new ATOM 0 HD12 ILE A 112 8.517 -6.431 -6.004 1.00 0.00 H new ATOM 0 HD13 ILE A 112 8.051 -7.923 -5.153 1.00 0.00 H new ATOM 1771 N PRO A 113 12.582 -9.783 -4.979 1.00 0.00 N ATOM 1772 CA PRO A 113 13.889 -10.404 -4.840 1.00 0.00 C ATOM 1773 C PRO A 113 14.964 -9.357 -4.542 1.00 0.00 C ATOM 1774 O PRO A 113 16.119 -9.700 -4.299 1.00 0.00 O ATOM 1775 CB PRO A 113 14.119 -11.135 -6.152 1.00 0.00 C ATOM 1776 CG PRO A 113 13.150 -10.518 -7.149 1.00 0.00 C ATOM 1777 CD PRO A 113 12.134 -9.702 -6.367 1.00 0.00 C ATOM 0 HA PRO A 113 13.939 -11.097 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 113 15.150 -11.021 -6.487 1.00 0.00 H new ATOM 0 HB3 PRO A 113 13.937 -12.204 -6.041 1.00 0.00 H new ATOM 0 HG2 PRO A 113 13.683 -9.885 -7.858 1.00 0.00 H new ATOM 0 HG3 PRO A 113 12.651 -11.295 -7.728 1.00 0.00 H new ATOM 0 HD2 PRO A 113 12.104 -8.669 -6.714 1.00 0.00 H new ATOM 0 HD3 PRO A 113 11.128 -10.106 -6.483 1.00 0.00 H new ATOM 1785 N ALA A 114 14.544 -8.100 -4.570 1.00 0.00 N ATOM 1786 CA ALA A 114 15.457 -7.001 -4.305 1.00 0.00 C ATOM 1787 C ALA A 114 15.052 -6.309 -3.002 1.00 0.00 C ATOM 1788 O ALA A 114 13.891 -6.367 -2.599 1.00 0.00 O ATOM 1789 CB ALA A 114 15.459 -6.041 -5.498 1.00 0.00 C ATOM 0 H ALA A 114 13.585 -7.819 -4.772 1.00 0.00 H new ATOM 0 HA ALA A 114 16.475 -7.370 -4.180 1.00 0.00 H new ATOM 0 HB1 ALA A 114 16.144 -5.216 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 114 15.781 -6.573 -6.393 1.00 0.00 H new ATOM 0 HB3 ALA A 114 14.454 -5.649 -5.651 1.00 0.00 H new ATOM 1795 N LYS A 115 16.032 -5.671 -2.379 1.00 0.00 N ATOM 1796 CA LYS A 115 15.792 -4.970 -1.129 1.00 0.00 C ATOM 1797 C LYS A 115 15.744 -3.464 -1.395 1.00 0.00 C ATOM 1798 O LYS A 115 15.676 -2.667 -0.461 1.00 0.00 O ATOM 1799 CB LYS A 115 16.828 -5.376 -0.079 1.00 0.00 C ATOM 1800 CG LYS A 115 16.177 -6.173 1.053 1.00 0.00 C ATOM 1801 CD LYS A 115 15.958 -7.631 0.642 1.00 0.00 C ATOM 1802 CE LYS A 115 14.468 -7.940 0.491 1.00 0.00 C ATOM 1803 NZ LYS A 115 14.251 -8.931 -0.586 1.00 0.00 N ATOM 0 H LYS A 115 16.993 -5.625 -2.716 1.00 0.00 H new ATOM 0 HA LYS A 115 14.824 -5.252 -0.714 1.00 0.00 H new ATOM 0 HB2 LYS A 115 17.610 -5.974 -0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.308 -4.486 0.327 1.00 0.00 H new ATOM 0 HG2 LYS A 115 16.808 -6.133 1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 115 15.222 -5.719 1.320 1.00 0.00 H new ATOM 0 HD2 LYS A 115 16.471 -7.828 -0.299 1.00 0.00 H new ATOM 0 HD3 LYS A 115 16.396 -8.293 1.389 1.00 0.00 H new ATOM 0 HE2 LYS A 115 14.073 -8.324 1.432 1.00 0.00 H new ATOM 0 HE3 LYS A 115 13.922 -7.024 0.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 13.426 -8.652 -1.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 15.093 -8.971 -1.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 14.082 -9.868 -0.167 1.00 0.00 H new ATOM 1817 N THR A 116 15.782 -3.120 -2.674 1.00 0.00 N ATOM 1818 CA THR A 116 15.743 -1.724 -3.076 1.00 0.00 C ATOM 1819 C THR A 116 14.403 -1.395 -3.735 1.00 0.00 C ATOM 1820 O THR A 116 13.606 -2.291 -4.010 1.00 0.00 O ATOM 1821 CB THR A 116 16.948 -1.459 -3.982 1.00 0.00 C ATOM 1822 OG1 THR A 116 18.073 -1.675 -3.135 1.00 0.00 O ATOM 1823 CG2 THR A 116 17.063 0.011 -4.388 1.00 0.00 C ATOM 0 H THR A 116 15.839 -3.784 -3.446 1.00 0.00 H new ATOM 0 HA THR A 116 15.815 -1.062 -2.213 1.00 0.00 H new ATOM 0 HB THR A 116 16.873 -2.077 -4.877 1.00 0.00 H new ATOM 0 HG1 THR A 116 18.898 -1.526 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.934 0.144 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 116 16.165 0.311 -4.928 1.00 0.00 H new ATOM 0 HG23 THR A 116 17.172 0.627 -3.496 1.00 0.00 H new ATOM 1831 N MET A 117 14.195 -0.108 -3.971 1.00 0.00 N ATOM 1832 CA MET A 117 12.965 0.350 -4.593 1.00 0.00 C ATOM 1833 C MET A 117 12.949 0.018 -6.086 1.00 0.00 C ATOM 1834 O MET A 117 13.985 0.070 -6.749 1.00 0.00 O ATOM 1835 CB MET A 117 12.830 1.863 -4.405 1.00 0.00 C ATOM 1836 CG MET A 117 11.866 2.189 -3.263 1.00 0.00 C ATOM 1837 SD MET A 117 12.424 1.418 -1.753 1.00 0.00 S ATOM 1838 CE MET A 117 10.926 0.583 -1.259 1.00 0.00 C ATOM 0 H MET A 117 14.858 0.632 -3.742 1.00 0.00 H new ATOM 0 HA MET A 117 12.128 -0.160 -4.117 1.00 0.00 H new ATOM 0 HB2 MET A 117 13.808 2.296 -4.195 1.00 0.00 H new ATOM 0 HB3 MET A 117 12.472 2.317 -5.329 1.00 0.00 H new ATOM 0 HG2 MET A 117 11.802 3.269 -3.127 1.00 0.00 H new ATOM 0 HG3 MET A 117 10.864 1.839 -3.511 1.00 0.00 H new ATOM 0 HE1 MET A 117 11.127 -0.038 -0.386 1.00 0.00 H new ATOM 0 HE2 MET A 117 10.163 1.321 -1.012 1.00 0.00 H new ATOM 0 HE3 MET A 117 10.573 -0.045 -2.077 1.00 0.00 H new ATOM 1848 N SER A 118 11.763 -0.316 -6.573 1.00 0.00 N ATOM 1849 CA SER A 118 11.599 -0.657 -7.976 1.00 0.00 C ATOM 1850 C SER A 118 10.123 -0.561 -8.368 1.00 0.00 C ATOM 1851 O SER A 118 9.241 -0.754 -7.533 1.00 0.00 O ATOM 1852 CB SER A 118 12.136 -2.059 -8.269 1.00 0.00 C ATOM 1853 OG SER A 118 13.548 -2.062 -8.456 1.00 0.00 O ATOM 0 H SER A 118 10.906 -0.358 -6.021 1.00 0.00 H new ATOM 0 HA SER A 118 12.174 0.054 -8.570 1.00 0.00 H new ATOM 0 HB2 SER A 118 11.878 -2.725 -7.446 1.00 0.00 H new ATOM 0 HB3 SER A 118 11.651 -2.453 -9.162 1.00 0.00 H new ATOM 0 HG SER A 118 13.942 -1.299 -7.984 1.00 0.00 H new ATOM 1859 N MET A 119 9.900 -0.262 -9.640 1.00 0.00 N ATOM 1860 CA MET A 119 8.546 -0.138 -10.153 1.00 0.00 C ATOM 1861 C MET A 119 7.745 -1.417 -9.900 1.00 0.00 C ATOM 1862 O MET A 119 6.517 -1.409 -9.975 1.00 0.00 O ATOM 1863 CB MET A 119 8.594 0.146 -11.656 1.00 0.00 C ATOM 1864 CG MET A 119 9.347 1.446 -11.944 1.00 0.00 C ATOM 1865 SD MET A 119 8.191 2.745 -12.348 1.00 0.00 S ATOM 1866 CE MET A 119 7.655 3.203 -10.708 1.00 0.00 C ATOM 0 H MET A 119 10.634 -0.102 -10.330 1.00 0.00 H new ATOM 0 HA MET A 119 8.054 0.685 -9.634 1.00 0.00 H new ATOM 0 HB2 MET A 119 9.081 -0.682 -12.171 1.00 0.00 H new ATOM 0 HB3 MET A 119 7.580 0.214 -12.050 1.00 0.00 H new ATOM 0 HG2 MET A 119 9.940 1.733 -11.075 1.00 0.00 H new ATOM 0 HG3 MET A 119 10.043 1.298 -12.770 1.00 0.00 H new ATOM 0 HE1 MET A 119 6.938 4.021 -10.775 1.00 0.00 H new ATOM 0 HE2 MET A 119 7.184 2.346 -10.227 1.00 0.00 H new ATOM 0 HE3 MET A 119 8.515 3.522 -10.120 1.00 0.00 H new ATOM 1876 N SER A 120 8.472 -2.484 -9.606 1.00 0.00 N ATOM 1877 CA SER A 120 7.844 -3.768 -9.342 1.00 0.00 C ATOM 1878 C SER A 120 7.565 -3.916 -7.845 1.00 0.00 C ATOM 1879 O SER A 120 7.631 -5.018 -7.304 1.00 0.00 O ATOM 1880 CB SER A 120 8.720 -4.921 -9.835 1.00 0.00 C ATOM 1881 OG SER A 120 8.507 -5.201 -11.216 1.00 0.00 O ATOM 0 H SER A 120 9.490 -2.486 -9.545 1.00 0.00 H new ATOM 0 HA SER A 120 6.900 -3.806 -9.886 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.769 -4.674 -9.673 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.508 -5.814 -9.247 1.00 0.00 H new ATOM 0 HG SER A 120 9.086 -5.942 -11.493 1.00 0.00 H new ATOM 1887 N VAL A 121 7.260 -2.789 -7.218 1.00 0.00 N ATOM 1888 CA VAL A 121 6.971 -2.779 -5.794 1.00 0.00 C ATOM 1889 C VAL A 121 5.632 -2.079 -5.555 1.00 0.00 C ATOM 1890 O VAL A 121 5.341 -1.059 -6.179 1.00 0.00 O ATOM 1891 CB VAL A 121 8.129 -2.134 -5.030 1.00 0.00 C ATOM 1892 CG1 VAL A 121 7.747 -1.879 -3.570 1.00 0.00 C ATOM 1893 CG2 VAL A 121 9.393 -2.989 -5.125 1.00 0.00 C ATOM 0 H VAL A 121 7.207 -1.876 -7.670 1.00 0.00 H new ATOM 0 HA VAL A 121 6.877 -3.797 -5.415 1.00 0.00 H new ATOM 0 HB VAL A 121 8.342 -1.171 -5.494 1.00 0.00 H new ATOM 0 HG11 VAL A 121 8.587 -1.420 -3.049 1.00 0.00 H new ATOM 0 HG12 VAL A 121 6.887 -1.211 -3.530 1.00 0.00 H new ATOM 0 HG13 VAL A 121 7.495 -2.824 -3.090 1.00 0.00 H new ATOM 0 HG21 VAL A 121 10.200 -2.507 -4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 121 9.199 -3.973 -4.699 1.00 0.00 H new ATOM 0 HG23 VAL A 121 9.682 -3.097 -6.171 1.00 0.00 H new ATOM 1903 N ASP A 122 4.854 -2.653 -4.650 1.00 0.00 N ATOM 1904 CA ASP A 122 3.552 -2.097 -4.321 1.00 0.00 C ATOM 1905 C ASP A 122 3.290 -2.277 -2.824 1.00 0.00 C ATOM 1906 O ASP A 122 2.142 -2.416 -2.404 1.00 0.00 O ATOM 1907 CB ASP A 122 2.437 -2.813 -5.086 1.00 0.00 C ATOM 1908 CG ASP A 122 2.215 -2.318 -6.516 1.00 0.00 C ATOM 1909 OD1 ASP A 122 3.060 -2.658 -7.372 1.00 0.00 O ATOM 1910 OD2 ASP A 122 1.204 -1.612 -6.722 1.00 0.00 O ATOM 0 H ASP A 122 5.100 -3.498 -4.134 1.00 0.00 H new ATOM 0 HA ASP A 122 3.557 -1.042 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 122 2.664 -3.879 -5.117 1.00 0.00 H new ATOM 0 HB3 ASP A 122 1.506 -2.702 -4.530 1.00 0.00 H new ATOM 1915 N ALA A 123 4.372 -2.268 -2.061 1.00 0.00 N ATOM 1916 CA ALA A 123 4.273 -2.429 -0.620 1.00 0.00 C ATOM 1917 C ALA A 123 5.679 -2.493 -0.020 1.00 0.00 C ATOM 1918 O ALA A 123 6.580 -3.094 -0.604 1.00 0.00 O ATOM 1919 CB ALA A 123 3.446 -3.676 -0.301 1.00 0.00 C ATOM 0 H ALA A 123 5.322 -2.152 -2.413 1.00 0.00 H new ATOM 0 HA ALA A 123 3.762 -1.576 -0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 123 3.372 -3.797 0.780 1.00 0.00 H new ATOM 0 HB2 ALA A 123 2.447 -3.568 -0.724 1.00 0.00 H new ATOM 0 HB3 ALA A 123 3.929 -4.553 -0.732 1.00 0.00 H new ATOM 1925 N PHE A 124 5.823 -1.864 1.137 1.00 0.00 N ATOM 1926 CA PHE A 124 7.105 -1.842 1.822 1.00 0.00 C ATOM 1927 C PHE A 124 6.921 -1.592 3.321 1.00 0.00 C ATOM 1928 O PHE A 124 5.916 -1.020 3.740 1.00 0.00 O ATOM 1929 CB PHE A 124 7.913 -0.690 1.221 1.00 0.00 C ATOM 1930 CG PHE A 124 7.488 0.694 1.716 1.00 0.00 C ATOM 1931 CD1 PHE A 124 6.203 1.109 1.554 1.00 0.00 C ATOM 1932 CD2 PHE A 124 8.395 1.509 2.318 1.00 0.00 C ATOM 1933 CE1 PHE A 124 5.808 2.393 2.014 1.00 0.00 C ATOM 1934 CE2 PHE A 124 8.000 2.793 2.778 1.00 0.00 C ATOM 1935 CZ PHE A 124 6.715 3.208 2.616 1.00 0.00 C ATOM 0 H PHE A 124 5.074 -1.366 1.618 1.00 0.00 H new ATOM 0 HA PHE A 124 7.609 -2.801 1.699 1.00 0.00 H new ATOM 0 HB2 PHE A 124 8.967 -0.840 1.453 1.00 0.00 H new ATOM 0 HB3 PHE A 124 7.818 -0.721 0.136 1.00 0.00 H new ATOM 0 HD1 PHE A 124 5.483 0.462 1.075 1.00 0.00 H new ATOM 0 HD2 PHE A 124 9.416 1.180 2.446 1.00 0.00 H new ATOM 0 HE1 PHE A 124 4.787 2.722 1.886 1.00 0.00 H new ATOM 0 HE2 PHE A 124 8.720 3.440 3.257 1.00 0.00 H new ATOM 0 HZ PHE A 124 6.415 4.185 2.965 1.00 0.00 H new ATOM 1945 N THR A 125 7.908 -2.034 4.087 1.00 0.00 N ATOM 1946 CA THR A 125 7.867 -1.867 5.529 1.00 0.00 C ATOM 1947 C THR A 125 9.234 -1.419 6.052 1.00 0.00 C ATOM 1948 O THR A 125 10.264 -1.948 5.640 1.00 0.00 O ATOM 1949 CB THR A 125 7.382 -3.180 6.145 1.00 0.00 C ATOM 1950 OG1 THR A 125 8.353 -4.137 5.731 1.00 0.00 O ATOM 1951 CG2 THR A 125 6.079 -3.676 5.515 1.00 0.00 C ATOM 0 H THR A 125 8.740 -2.507 3.736 1.00 0.00 H new ATOM 0 HA THR A 125 7.169 -1.080 5.816 1.00 0.00 H new ATOM 0 HB THR A 125 7.239 -3.047 7.217 1.00 0.00 H new ATOM 0 HG1 THR A 125 9.234 -3.710 5.685 1.00 0.00 H new ATOM 0 HG21 THR A 125 5.779 -4.611 5.988 1.00 0.00 H new ATOM 0 HG22 THR A 125 5.298 -2.929 5.659 1.00 0.00 H new ATOM 0 HG23 THR A 125 6.231 -3.842 4.448 1.00 0.00 H new ATOM 1959 N ILE A 126 9.198 -0.448 6.953 1.00 0.00 N ATOM 1960 CA ILE A 126 10.420 0.077 7.537 1.00 0.00 C ATOM 1961 C ILE A 126 10.805 -0.770 8.752 1.00 0.00 C ATOM 1962 O ILE A 126 9.944 -1.372 9.391 1.00 0.00 O ATOM 1963 CB ILE A 126 10.268 1.567 7.850 1.00 0.00 C ATOM 1964 CG1 ILE A 126 9.016 1.826 8.690 1.00 0.00 C ATOM 1965 CG2 ILE A 126 10.280 2.401 6.567 1.00 0.00 C ATOM 1966 CD1 ILE A 126 9.087 3.193 9.373 1.00 0.00 C ATOM 0 H ILE A 126 8.341 -0.011 7.293 1.00 0.00 H new ATOM 0 HA ILE A 126 11.242 0.007 6.825 1.00 0.00 H new ATOM 0 HB ILE A 126 11.126 1.880 8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 126 8.131 1.778 8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 126 8.911 1.045 9.443 1.00 0.00 H new ATOM 0 HG21 ILE A 126 10.170 3.456 6.818 1.00 0.00 H new ATOM 0 HG22 ILE A 126 11.224 2.249 6.043 1.00 0.00 H new ATOM 0 HG23 ILE A 126 9.455 2.093 5.925 1.00 0.00 H new ATOM 0 HD11 ILE A 126 8.185 3.352 9.964 1.00 0.00 H new ATOM 0 HD12 ILE A 126 9.959 3.229 10.026 1.00 0.00 H new ATOM 0 HD13 ILE A 126 9.168 3.974 8.617 1.00 0.00 H new ATOM 1978 N GLN A 127 12.100 -0.790 9.033 1.00 0.00 N ATOM 1979 CA GLN A 127 12.609 -1.553 10.160 1.00 0.00 C ATOM 1980 C GLN A 127 11.683 -1.398 11.368 1.00 0.00 C ATOM 1981 O GLN A 127 10.874 -0.473 11.420 1.00 0.00 O ATOM 1982 CB GLN A 127 14.038 -1.131 10.507 1.00 0.00 C ATOM 1983 CG GLN A 127 15.048 -2.184 10.046 1.00 0.00 C ATOM 1984 CD GLN A 127 15.848 -2.732 11.229 1.00 0.00 C ATOM 1985 OE1 GLN A 127 15.304 -3.169 12.230 1.00 0.00 O ATOM 1986 NE2 GLN A 127 17.166 -2.684 11.059 1.00 0.00 N ATOM 0 H GLN A 127 12.812 -0.290 8.500 1.00 0.00 H new ATOM 0 HA GLN A 127 12.634 -2.606 9.879 1.00 0.00 H new ATOM 0 HB2 GLN A 127 14.263 -0.175 10.035 1.00 0.00 H new ATOM 0 HB3 GLN A 127 14.126 -0.984 11.583 1.00 0.00 H new ATOM 0 HG2 GLN A 127 14.526 -3.000 9.547 1.00 0.00 H new ATOM 0 HG3 GLN A 127 15.727 -1.746 9.315 1.00 0.00 H new ATOM 0 HE21 GLN A 127 17.555 -2.305 10.196 1.00 0.00 H new ATOM 0 HE22 GLN A 127 17.788 -3.026 11.792 1.00 0.00 H new ATOM 1995 N GLY A 128 11.832 -2.318 12.309 1.00 0.00 N ATOM 1996 CA GLY A 128 11.019 -2.296 13.514 1.00 0.00 C ATOM 1997 C GLY A 128 11.569 -1.290 14.527 1.00 0.00 C ATOM 1998 O GLY A 128 10.804 -0.603 15.202 1.00 0.00 O ATOM 0 H GLY A 128 12.504 -3.084 12.262 1.00 0.00 H new ATOM 0 HA2 GLY A 128 9.991 -2.036 13.259 1.00 0.00 H new ATOM 0 HA3 GLY A 128 10.995 -3.291 13.960 1.00 0.00 H new ATOM 2002 N HIS A 129 12.890 -1.235 14.602 1.00 0.00 N ATOM 2003 CA HIS A 129 13.551 -0.325 15.522 1.00 0.00 C ATOM 2004 C HIS A 129 13.056 1.102 15.276 1.00 0.00 C ATOM 2005 O HIS A 129 12.935 1.891 16.212 1.00 0.00 O ATOM 2006 CB HIS A 129 15.072 -0.451 15.413 1.00 0.00 C ATOM 2007 CG HIS A 129 15.671 0.317 14.259 1.00 0.00 C ATOM 2008 ND1 HIS A 129 16.373 -0.295 13.235 1.00 0.00 N ATOM 2009 CD2 HIS A 129 15.666 1.651 13.979 1.00 0.00 C ATOM 2010 CE1 HIS A 129 16.768 0.639 12.383 1.00 0.00 C ATOM 2011 NE2 HIS A 129 16.329 1.845 12.845 1.00 0.00 N ATOM 0 H HIS A 129 13.521 -1.806 14.040 1.00 0.00 H new ATOM 0 HA HIS A 129 13.295 -0.590 16.548 1.00 0.00 H new ATOM 0 HB2 HIS A 129 15.523 -0.101 16.342 1.00 0.00 H new ATOM 0 HB3 HIS A 129 15.332 -1.504 15.309 1.00 0.00 H new ATOM 0 HD2 HIS A 129 15.201 2.420 14.578 1.00 0.00 H new ATOM 0 HE1 HIS A 129 17.338 0.475 11.480 1.00 0.00 H new ATOM 0 HE2 HIS A 129 16.484 2.747 12.394 1.00 0.00 H new ATOM 2019 N LEU A 130 12.782 1.389 14.012 1.00 0.00 N ATOM 2020 CA LEU A 130 12.303 2.707 13.631 1.00 0.00 C ATOM 2021 C LEU A 130 10.998 3.004 14.373 1.00 0.00 C ATOM 2022 O LEU A 130 10.889 4.017 15.062 1.00 0.00 O ATOM 2023 CB LEU A 130 12.184 2.815 12.110 1.00 0.00 C ATOM 2024 CG LEU A 130 13.494 2.720 11.326 1.00 0.00 C ATOM 2025 CD1 LEU A 130 13.234 2.348 9.865 1.00 0.00 C ATOM 2026 CD2 LEU A 130 14.304 4.012 11.453 1.00 0.00 C ATOM 0 H LEU A 130 12.883 0.732 13.239 1.00 0.00 H new ATOM 0 HA LEU A 130 13.020 3.473 13.926 1.00 0.00 H new ATOM 0 HB2 LEU A 130 11.517 2.027 11.761 1.00 0.00 H new ATOM 0 HB3 LEU A 130 11.708 3.766 11.869 1.00 0.00 H new ATOM 0 HG LEU A 130 14.094 1.920 11.760 1.00 0.00 H new ATOM 0 HD11 LEU A 130 14.182 2.287 9.331 1.00 0.00 H new ATOM 0 HD12 LEU A 130 12.729 1.383 9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 130 12.605 3.108 9.402 1.00 0.00 H new ATOM 0 HD21 LEU A 130 15.230 3.918 10.886 1.00 0.00 H new ATOM 0 HD22 LEU A 130 13.722 4.846 11.061 1.00 0.00 H new ATOM 0 HD23 LEU A 130 14.537 4.194 12.502 1.00 0.00 H new ATOM 2038 N TRP A 131 10.041 2.103 14.205 1.00 0.00 N ATOM 2039 CA TRP A 131 8.748 2.256 14.850 1.00 0.00 C ATOM 2040 C TRP A 131 8.991 2.588 16.324 1.00 0.00 C ATOM 2041 O TRP A 131 8.667 3.684 16.779 1.00 0.00 O ATOM 2042 CB TRP A 131 7.886 1.008 14.653 1.00 0.00 C ATOM 2043 CG TRP A 131 7.283 0.883 13.252 1.00 0.00 C ATOM 2044 CD1 TRP A 131 7.554 -0.037 12.317 1.00 0.00 C ATOM 2045 CD2 TRP A 131 6.290 1.749 12.664 1.00 0.00 C ATOM 2046 NE1 TRP A 131 6.811 0.171 11.173 1.00 0.00 N ATOM 2047 CE2 TRP A 131 6.018 1.292 11.390 1.00 0.00 C ATOM 2048 CE3 TRP A 131 5.643 2.881 13.190 1.00 0.00 C ATOM 2049 CZ2 TRP A 131 5.094 1.906 10.536 1.00 0.00 C ATOM 2050 CZ3 TRP A 131 4.722 3.483 12.324 1.00 0.00 C ATOM 2051 CH2 TRP A 131 4.437 3.036 11.039 1.00 0.00 C ATOM 0 H TRP A 131 10.135 1.265 13.632 1.00 0.00 H new ATOM 0 HA TRP A 131 8.186 3.073 14.397 1.00 0.00 H new ATOM 0 HB2 TRP A 131 8.491 0.125 14.857 1.00 0.00 H new ATOM 0 HB3 TRP A 131 7.079 1.017 15.385 1.00 0.00 H new ATOM 0 HD1 TRP A 131 8.265 -0.841 12.443 1.00 0.00 H new ATOM 0 HE1 TRP A 131 6.839 -0.394 10.324 1.00 0.00 H new ATOM 0 HE3 TRP A 131 5.841 3.256 14.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 131 4.898 1.529 9.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 131 4.196 4.357 12.680 1.00 0.00 H new ATOM 0 HH2 TRP A 131 3.712 3.558 10.431 1.00 0.00 H new ATOM 2062 N GLN A 132 9.559 1.621 17.030 1.00 0.00 N ATOM 2063 CA GLN A 132 9.850 1.797 18.442 1.00 0.00 C ATOM 2064 C GLN A 132 10.724 3.035 18.655 1.00 0.00 C ATOM 2065 O GLN A 132 11.881 3.060 18.239 1.00 0.00 O ATOM 2066 CB GLN A 132 10.516 0.549 19.025 1.00 0.00 C ATOM 2067 CG GLN A 132 9.489 -0.561 19.261 1.00 0.00 C ATOM 2068 CD GLN A 132 9.899 -1.445 20.440 1.00 0.00 C ATOM 2069 OE1 GLN A 132 10.197 -0.976 21.526 1.00 0.00 O ATOM 2070 NE2 GLN A 132 9.896 -2.747 20.167 1.00 0.00 N ATOM 0 H GLN A 132 9.825 0.713 16.650 1.00 0.00 H new ATOM 0 HA GLN A 132 8.908 1.946 18.970 1.00 0.00 H new ATOM 0 HB2 GLN A 132 11.290 0.194 18.345 1.00 0.00 H new ATOM 0 HB3 GLN A 132 11.008 0.800 19.965 1.00 0.00 H new ATOM 0 HG2 GLN A 132 8.511 -0.121 19.455 1.00 0.00 H new ATOM 0 HG3 GLN A 132 9.393 -1.169 18.362 1.00 0.00 H new ATOM 0 HE21 GLN A 132 9.636 -3.072 19.236 1.00 0.00 H new ATOM 0 HE22 GLN A 132 10.154 -3.420 20.889 1.00 0.00 H new ATOM 2079 N SER A 133 10.136 4.031 19.301 1.00 0.00 N ATOM 2080 CA SER A 133 10.847 5.269 19.574 1.00 0.00 C ATOM 2081 C SER A 133 11.164 5.990 18.262 1.00 0.00 C ATOM 2082 O SER A 133 11.155 5.378 17.195 1.00 0.00 O ATOM 2083 CB SER A 133 12.134 5.004 20.358 1.00 0.00 C ATOM 2084 OG SER A 133 11.903 4.187 21.503 1.00 0.00 O ATOM 0 H SER A 133 9.175 4.006 19.643 1.00 0.00 H new ATOM 0 HA SER A 133 10.206 5.904 20.185 1.00 0.00 H new ATOM 0 HB2 SER A 133 12.862 4.519 19.707 1.00 0.00 H new ATOM 0 HB3 SER A 133 12.569 5.953 20.671 1.00 0.00 H new ATOM 0 HG SER A 133 12.749 4.039 21.976 1.00 0.00 H new ATOM 2090 N LYS A 134 11.436 7.281 18.384 1.00 0.00 N ATOM 2091 CA LYS A 134 11.755 8.092 17.222 1.00 0.00 C ATOM 2092 C LYS A 134 13.093 7.635 16.638 1.00 0.00 C ATOM 2093 O LYS A 134 13.852 6.925 17.296 1.00 0.00 O ATOM 2094 CB LYS A 134 11.716 9.579 17.579 1.00 0.00 C ATOM 2095 CG LYS A 134 11.193 10.411 16.406 1.00 0.00 C ATOM 2096 CD LYS A 134 11.149 11.898 16.764 1.00 0.00 C ATOM 2097 CE LYS A 134 10.207 12.659 15.830 1.00 0.00 C ATOM 2098 NZ LYS A 134 9.584 13.799 16.539 1.00 0.00 N ATOM 0 H LYS A 134 11.442 7.785 19.271 1.00 0.00 H new ATOM 0 HA LYS A 134 11.004 7.955 16.444 1.00 0.00 H new ATOM 0 HB2 LYS A 134 11.079 9.731 18.450 1.00 0.00 H new ATOM 0 HB3 LYS A 134 12.715 9.917 17.852 1.00 0.00 H new ATOM 0 HG2 LYS A 134 11.833 10.262 15.536 1.00 0.00 H new ATOM 0 HG3 LYS A 134 10.195 10.070 16.130 1.00 0.00 H new ATOM 0 HD2 LYS A 134 10.819 12.018 17.796 1.00 0.00 H new ATOM 0 HD3 LYS A 134 12.151 12.321 16.699 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.759 13.020 14.962 1.00 0.00 H new ATOM 0 HE3 LYS A 134 9.433 11.987 15.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 8.947 14.305 15.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 9.041 13.447 17.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 10.325 14.448 16.872 1.00 0.00 H new ATOM 2112 N LYS A 135 13.342 8.060 15.408 1.00 0.00 N ATOM 2113 CA LYS A 135 14.576 7.704 14.728 1.00 0.00 C ATOM 2114 C LYS A 135 15.759 7.946 15.667 1.00 0.00 C ATOM 2115 O LYS A 135 15.597 8.528 16.739 1.00 0.00 O ATOM 2116 CB LYS A 135 14.687 8.447 13.395 1.00 0.00 C ATOM 2117 CG LYS A 135 14.210 7.568 12.237 1.00 0.00 C ATOM 2118 CD LYS A 135 13.141 8.286 11.409 1.00 0.00 C ATOM 2119 CE LYS A 135 13.779 9.250 10.408 1.00 0.00 C ATOM 2120 NZ LYS A 135 13.525 10.653 10.806 1.00 0.00 N ATOM 0 H LYS A 135 12.710 8.648 14.864 1.00 0.00 H new ATOM 0 HA LYS A 135 14.580 6.643 14.477 1.00 0.00 H new ATOM 0 HB2 LYS A 135 14.092 9.360 13.433 1.00 0.00 H new ATOM 0 HB3 LYS A 135 15.721 8.747 13.227 1.00 0.00 H new ATOM 0 HG2 LYS A 135 15.056 7.309 11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.807 6.634 12.627 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.534 7.553 10.877 1.00 0.00 H new ATOM 0 HD3 LYS A 135 12.471 8.834 12.071 1.00 0.00 H new ATOM 0 HE2 LYS A 135 14.853 9.070 10.354 1.00 0.00 H new ATOM 0 HE3 LYS A 135 13.375 9.069 9.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 13.965 11.295 10.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.500 10.826 10.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 13.932 10.826 11.747 1.00 0.00 H new ATOM 2134 N SER A 136 16.923 7.486 15.232 1.00 0.00 N ATOM 2135 CA SER A 136 18.133 7.645 16.020 1.00 0.00 C ATOM 2136 C SER A 136 18.961 8.813 15.479 1.00 0.00 C ATOM 2137 O SER A 136 19.283 9.744 16.214 1.00 0.00 O ATOM 2138 CB SER A 136 18.964 6.361 16.020 1.00 0.00 C ATOM 2139 OG SER A 136 19.698 6.199 17.231 1.00 0.00 O ATOM 0 H SER A 136 17.054 7.003 14.343 1.00 0.00 H new ATOM 0 HA SER A 136 17.844 7.858 17.049 1.00 0.00 H new ATOM 0 HB2 SER A 136 18.306 5.504 15.878 1.00 0.00 H new ATOM 0 HB3 SER A 136 19.655 6.376 15.177 1.00 0.00 H new ATOM 0 HG SER A 136 20.214 5.367 17.192 1.00 0.00 H new ATOM 2145 N GLY A 137 19.283 8.723 14.196 1.00 0.00 N ATOM 2146 CA GLY A 137 20.067 9.761 13.548 1.00 0.00 C ATOM 2147 C GLY A 137 21.305 9.169 12.871 1.00 0.00 C ATOM 2148 O GLY A 137 22.334 8.971 13.516 1.00 0.00 O ATOM 0 H GLY A 137 19.015 7.948 13.589 1.00 0.00 H new ATOM 0 HA2 GLY A 137 19.455 10.276 12.808 1.00 0.00 H new ATOM 0 HA3 GLY A 137 20.371 10.505 14.284 1.00 0.00 H new ATOM 2152 N PRO A 138 21.162 8.896 11.547 1.00 0.00 N ATOM 2153 CA PRO A 138 22.256 8.332 10.776 1.00 0.00 C ATOM 2154 C PRO A 138 23.321 9.390 10.478 1.00 0.00 C ATOM 2155 O PRO A 138 23.096 10.580 10.696 1.00 0.00 O ATOM 2156 CB PRO A 138 21.606 7.773 9.520 1.00 0.00 C ATOM 2157 CG PRO A 138 20.251 8.453 9.416 1.00 0.00 C ATOM 2158 CD PRO A 138 19.958 9.118 10.750 1.00 0.00 C ATOM 0 HA PRO A 138 22.789 7.549 11.315 1.00 0.00 H new ATOM 0 HB2 PRO A 138 22.215 7.979 8.640 1.00 0.00 H new ATOM 0 HB3 PRO A 138 21.496 6.691 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 138 20.255 9.192 8.614 1.00 0.00 H new ATOM 0 HG3 PRO A 138 19.476 7.725 9.174 1.00 0.00 H new ATOM 0 HD2 PRO A 138 19.756 10.182 10.626 1.00 0.00 H new ATOM 0 HD3 PRO A 138 19.081 8.680 11.227 1.00 0.00 H new ATOM 2166 N SER A 139 24.456 8.918 9.985 1.00 0.00 N ATOM 2167 CA SER A 139 25.556 9.809 9.655 1.00 0.00 C ATOM 2168 C SER A 139 26.669 9.029 8.952 1.00 0.00 C ATOM 2169 O SER A 139 26.829 7.831 9.178 1.00 0.00 O ATOM 2170 CB SER A 139 26.100 10.499 10.907 1.00 0.00 C ATOM 2171 OG SER A 139 26.235 11.906 10.726 1.00 0.00 O ATOM 0 H SER A 139 24.638 7.931 9.806 1.00 0.00 H new ATOM 0 HA SER A 139 25.181 10.580 8.982 1.00 0.00 H new ATOM 0 HB2 SER A 139 25.433 10.304 11.747 1.00 0.00 H new ATOM 0 HB3 SER A 139 27.069 10.072 11.164 1.00 0.00 H new ATOM 0 HG SER A 139 26.583 12.310 11.548 1.00 0.00 H new ATOM 2177 N SER A 140 27.409 9.741 8.115 1.00 0.00 N ATOM 2178 CA SER A 140 28.502 9.130 7.378 1.00 0.00 C ATOM 2179 C SER A 140 29.202 10.180 6.513 1.00 0.00 C ATOM 2180 O SER A 140 28.643 11.244 6.249 1.00 0.00 O ATOM 2181 CB SER A 140 28.002 7.974 6.508 1.00 0.00 C ATOM 2182 OG SER A 140 28.057 6.727 7.195 1.00 0.00 O ATOM 0 H SER A 140 27.273 10.735 7.931 1.00 0.00 H new ATOM 0 HA SER A 140 29.215 8.726 8.097 1.00 0.00 H new ATOM 0 HB2 SER A 140 26.976 8.172 6.197 1.00 0.00 H new ATOM 0 HB3 SER A 140 28.604 7.915 5.601 1.00 0.00 H new ATOM 0 HG SER A 140 27.858 6.867 8.144 1.00 0.00 H new ATOM 2188 N GLY A 141 30.414 9.846 6.097 1.00 0.00 N ATOM 2189 CA GLY A 141 31.196 10.747 5.268 1.00 0.00 C ATOM 2190 C GLY A 141 32.541 11.067 5.924 1.00 0.00 C ATOM 2191 O GLY A 141 32.610 11.888 6.838 1.00 0.00 O ATOM 0 H GLY A 141 30.874 8.963 6.319 1.00 0.00 H new ATOM 0 HA2 GLY A 141 31.363 10.295 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 141 30.640 11.669 5.102 1.00 0.00 H new TER 2195 GLY A 141