USER MOD reduce.3.24.130724 H: found=0, std=0, add=878, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 880 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 68 SER OG : rot 108:sc= 1.17 USER MOD Set 1.2: A 110 GLN : amide:sc= -0.86 K(o=0.31,f=-9!) USER MOD Set 2.1: A 12 GLN : amide:sc= 1.86 K(o=2.5,f=-1.6!) USER MOD Set 2.2: A 44 TYR OH : rot -174:sc= 0.649 USER MOD Set 2.3: A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 103:sc= 1.21 USER MOD Single : A 18 THR OG1 : rot 88:sc= 0.724 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 29:sc= -2! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -96:sc= 1.29 USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= 1.68 (180deg=0.969) USER MOD Single : A 40 GLN : amide:sc= -2.47 K(o=-2.5,f=-0.27) USER MOD Single : A 42 LYS NZ :NH3+ -177:sc= 0.815 (180deg=0.709) USER MOD Single : A 43 LYS NZ :NH3+ 176:sc= 0.43 (180deg=0.25) USER MOD Single : A 49 SER OG : rot 180:sc= 0.0297 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -3.44! C(o=-3.4!,f=-2.5!) USER MOD Single : A 55 MET CE :methyl -148:sc= -1.34 (180deg=-2.71!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.94) USER MOD Single : A 59 ASN : amide:sc= -0.0187 K(o=-0.019,f=-1.1) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= 0.0263 K(o=0.026,f=-0.95) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 GLN : amide:sc= 0.15 X(o=0.15,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 163:sc= 0.786 (180deg=0.611) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 98 ASN : amide:sc= 1.24 K(o=1.2,f=-0.034) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 1.06 (180deg=0.989) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 19:sc= 1.03 USER MOD Single : A 107 MET CE :methyl 176:sc= -1.19 (180deg=-1.32) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 69 N ALA A 7 -10.904 6.833 -6.612 1.00 0.00 N ATOM 70 CA ALA A 7 -11.806 5.909 -7.248 1.00 0.00 C ATOM 71 C ALA A 7 -12.890 5.562 -6.279 1.00 0.00 C ATOM 72 O ALA A 7 -12.855 5.980 -5.124 1.00 0.00 O ATOM 73 CB ALA A 7 -11.061 4.649 -7.596 1.00 0.00 C ATOM 0 HA ALA A 7 -12.222 6.358 -8.150 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -11.740 3.946 -8.078 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -10.242 4.886 -8.275 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -10.660 4.201 -6.687 1.00 0.00 H new ATOM 79 N ASP A 8 -13.838 4.812 -6.732 1.00 0.00 N ATOM 80 CA ASP A 8 -14.861 4.293 -5.870 1.00 0.00 C ATOM 81 C ASP A 8 -14.270 3.295 -4.937 1.00 0.00 C ATOM 82 O ASP A 8 -13.360 2.599 -5.302 1.00 0.00 O ATOM 83 CB ASP A 8 -15.965 3.662 -6.681 1.00 0.00 C ATOM 84 CG ASP A 8 -16.920 2.858 -5.855 1.00 0.00 C ATOM 85 OD1 ASP A 8 -17.746 3.449 -5.135 1.00 0.00 O ATOM 86 OD2 ASP A 8 -16.828 1.636 -5.872 1.00 0.00 O ATOM 0 H ASP A 8 -13.931 4.538 -7.710 1.00 0.00 H new ATOM 0 HA ASP A 8 -15.287 5.113 -5.293 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.516 4.444 -7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.525 3.020 -7.444 1.00 0.00 H new ATOM 91 N LEU A 9 -14.771 3.275 -3.740 1.00 0.00 N ATOM 92 CA LEU A 9 -14.396 2.373 -2.683 1.00 0.00 C ATOM 93 C LEU A 9 -14.248 0.965 -3.154 1.00 0.00 C ATOM 94 O LEU A 9 -13.204 0.340 -2.994 1.00 0.00 O ATOM 95 CB LEU A 9 -15.528 2.422 -1.719 1.00 0.00 C ATOM 96 CG LEU A 9 -15.482 3.481 -0.674 1.00 0.00 C ATOM 97 CD1 LEU A 9 -14.509 3.038 0.339 1.00 0.00 C ATOM 98 CD2 LEU A 9 -15.073 4.858 -1.213 1.00 0.00 C ATOM 0 H LEU A 9 -15.500 3.928 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.434 2.669 -2.264 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -16.450 2.546 -2.286 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -15.589 1.455 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 9 -16.484 3.609 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -14.441 3.786 1.129 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.834 2.089 0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.531 2.911 -0.126 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.061 5.580 -0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.079 4.795 -1.656 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -15.788 5.179 -1.970 1.00 0.00 H new ATOM 110 N ASP A 10 -15.259 0.506 -3.783 1.00 0.00 N ATOM 111 CA ASP A 10 -15.281 -0.893 -4.265 1.00 0.00 C ATOM 112 C ASP A 10 -14.276 -1.081 -5.362 1.00 0.00 C ATOM 113 O ASP A 10 -13.603 -2.115 -5.447 1.00 0.00 O ATOM 114 CB ASP A 10 -16.663 -1.365 -4.724 1.00 0.00 C ATOM 115 CG ASP A 10 -16.614 -2.765 -5.340 1.00 0.00 C ATOM 116 OD1 ASP A 10 -16.479 -3.759 -4.602 1.00 0.00 O ATOM 117 OD2 ASP A 10 -16.719 -2.893 -6.578 1.00 0.00 O ATOM 0 H ASP A 10 -16.099 1.045 -3.995 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.017 -1.514 -3.409 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -17.346 -1.366 -3.875 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.063 -0.661 -5.454 1.00 0.00 H new ATOM 122 N THR A 11 -14.114 -0.048 -6.145 1.00 0.00 N ATOM 123 CA THR A 11 -13.201 -0.027 -7.185 1.00 0.00 C ATOM 124 C THR A 11 -11.770 -0.080 -6.644 1.00 0.00 C ATOM 125 O THR A 11 -10.979 -0.880 -7.100 1.00 0.00 O ATOM 126 CB THR A 11 -13.446 1.235 -8.003 1.00 0.00 C ATOM 127 OG1 THR A 11 -14.584 1.074 -8.858 1.00 0.00 O ATOM 128 CG2 THR A 11 -12.232 1.678 -8.749 1.00 0.00 C ATOM 0 H THR A 11 -14.647 0.816 -6.048 1.00 0.00 H new ATOM 0 HA THR A 11 -13.329 -0.901 -7.823 1.00 0.00 H new ATOM 0 HB THR A 11 -13.671 2.040 -7.303 1.00 0.00 H new ATOM 0 HG1 THR A 11 -14.725 1.896 -9.373 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.462 2.581 -9.315 1.00 0.00 H new ATOM 0 HG22 THR A 11 -11.428 1.887 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.918 0.890 -9.434 1.00 0.00 H new ATOM 136 N GLN A 12 -11.488 0.738 -5.640 1.00 0.00 N ATOM 137 CA GLN A 12 -10.170 0.838 -5.059 1.00 0.00 C ATOM 138 C GLN A 12 -9.690 -0.528 -4.581 1.00 0.00 C ATOM 139 O GLN A 12 -8.617 -0.969 -4.984 1.00 0.00 O ATOM 140 CB GLN A 12 -10.157 1.816 -3.900 1.00 0.00 C ATOM 141 CG GLN A 12 -10.630 3.233 -4.200 1.00 0.00 C ATOM 142 CD GLN A 12 -10.665 4.111 -2.962 1.00 0.00 C ATOM 143 OE1 GLN A 12 -9.893 3.926 -2.030 1.00 0.00 O ATOM 144 NE2 GLN A 12 -11.540 5.080 -2.948 1.00 0.00 N ATOM 0 H GLN A 12 -12.177 1.353 -5.207 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.495 1.205 -5.832 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -10.781 1.410 -3.104 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -9.140 1.871 -3.512 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.970 3.683 -4.942 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -11.626 3.194 -4.641 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -12.170 5.209 -3.739 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -11.593 5.708 -2.146 1.00 0.00 H new ATOM 153 N ARG A 13 -10.515 -1.198 -3.735 1.00 0.00 N ATOM 154 CA ARG A 13 -10.220 -2.564 -3.228 1.00 0.00 C ATOM 155 C ARG A 13 -9.780 -3.458 -4.380 1.00 0.00 C ATOM 156 O ARG A 13 -8.680 -3.977 -4.420 1.00 0.00 O ATOM 157 CB ARG A 13 -11.486 -3.273 -2.706 1.00 0.00 C ATOM 158 CG ARG A 13 -12.431 -2.501 -1.854 1.00 0.00 C ATOM 159 CD ARG A 13 -13.664 -3.355 -1.588 1.00 0.00 C ATOM 160 NE ARG A 13 -14.748 -2.618 -0.930 1.00 0.00 N ATOM 161 CZ ARG A 13 -16.055 -2.929 -1.034 1.00 0.00 C ATOM 162 NH1 ARG A 13 -16.439 -3.964 -1.761 1.00 0.00 N ATOM 163 NH2 ARG A 13 -16.963 -2.197 -0.418 1.00 0.00 N ATOM 0 H ARG A 13 -11.393 -0.812 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.470 -2.433 -2.448 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -12.041 -3.639 -3.570 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -11.167 -4.147 -2.139 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.953 -2.226 -0.914 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -12.715 -1.573 -2.351 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -14.029 -3.758 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -13.382 -4.205 -0.966 1.00 0.00 H new ATOM 0 HE ARG A 13 -14.495 -1.815 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.745 -4.532 -2.247 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -17.430 -4.195 -1.836 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -16.677 -1.392 0.140 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -17.951 -2.436 -0.499 1.00 0.00 H new ATOM 177 N SER A 14 -10.667 -3.549 -5.319 1.00 0.00 N ATOM 178 CA SER A 14 -10.623 -4.453 -6.419 1.00 0.00 C ATOM 179 C SER A 14 -9.487 -4.165 -7.390 1.00 0.00 C ATOM 180 O SER A 14 -8.751 -5.073 -7.796 1.00 0.00 O ATOM 181 CB SER A 14 -11.944 -4.294 -7.096 1.00 0.00 C ATOM 182 OG SER A 14 -12.996 -4.622 -6.205 1.00 0.00 O ATOM 0 H SER A 14 -11.495 -2.954 -5.337 1.00 0.00 H new ATOM 0 HA SER A 14 -10.438 -5.469 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.060 -3.268 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.989 -4.937 -7.975 1.00 0.00 H new ATOM 0 HG SER A 14 -13.411 -3.799 -5.872 1.00 0.00 H new ATOM 188 N ASP A 15 -9.327 -2.913 -7.725 1.00 0.00 N ATOM 189 CA ASP A 15 -8.360 -2.480 -8.715 1.00 0.00 C ATOM 190 C ASP A 15 -6.957 -2.703 -8.184 1.00 0.00 C ATOM 191 O ASP A 15 -6.041 -3.033 -8.934 1.00 0.00 O ATOM 192 CB ASP A 15 -8.601 -1.007 -9.040 1.00 0.00 C ATOM 193 CG ASP A 15 -8.032 -0.572 -10.365 1.00 0.00 C ATOM 194 OD1 ASP A 15 -8.034 -1.376 -11.334 1.00 0.00 O ATOM 195 OD2 ASP A 15 -7.634 0.592 -10.503 1.00 0.00 O ATOM 0 H ASP A 15 -9.868 -2.151 -7.317 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.472 -3.060 -9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -9.674 -0.815 -9.036 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -8.165 -0.395 -8.250 1.00 0.00 H new ATOM 200 N ILE A 16 -6.815 -2.572 -6.875 1.00 0.00 N ATOM 201 CA ILE A 16 -5.567 -2.809 -6.205 1.00 0.00 C ATOM 202 C ILE A 16 -5.357 -4.295 -5.936 1.00 0.00 C ATOM 203 O ILE A 16 -4.258 -4.791 -6.119 1.00 0.00 O ATOM 204 CB ILE A 16 -5.462 -1.981 -4.906 1.00 0.00 C ATOM 205 CG1 ILE A 16 -5.391 -0.487 -5.219 1.00 0.00 C ATOM 206 CG2 ILE A 16 -4.314 -2.415 -4.029 1.00 0.00 C ATOM 207 CD1 ILE A 16 -4.279 -0.091 -6.175 1.00 0.00 C ATOM 0 H ILE A 16 -7.574 -2.296 -6.252 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.768 -2.480 -6.869 1.00 0.00 H new ATOM 0 HB ILE A 16 -6.371 -2.170 -4.335 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.345 -0.173 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.261 0.060 -4.285 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.289 -1.798 -3.131 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -4.445 -3.460 -3.748 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.377 -2.301 -4.574 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.306 0.986 -6.338 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.316 -0.369 -5.748 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.416 -0.606 -7.126 1.00 0.00 H new ATOM 219 N ALA A 17 -6.426 -5.015 -5.579 1.00 0.00 N ATOM 220 CA ALA A 17 -6.354 -6.465 -5.313 1.00 0.00 C ATOM 221 C ALA A 17 -5.854 -7.157 -6.547 1.00 0.00 C ATOM 222 O ALA A 17 -5.093 -8.119 -6.491 1.00 0.00 O ATOM 223 CB ALA A 17 -7.722 -7.022 -4.942 1.00 0.00 C ATOM 0 H ALA A 17 -7.359 -4.619 -5.466 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.677 -6.636 -4.476 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -7.640 -8.092 -4.751 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -8.088 -6.521 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -8.419 -6.852 -5.763 1.00 0.00 H new ATOM 229 N THR A 18 -6.261 -6.611 -7.651 1.00 0.00 N ATOM 230 CA THR A 18 -5.910 -7.026 -8.942 1.00 0.00 C ATOM 231 C THR A 18 -4.403 -6.835 -9.201 1.00 0.00 C ATOM 232 O THR A 18 -3.760 -7.631 -9.866 1.00 0.00 O ATOM 233 CB THR A 18 -6.769 -6.191 -9.903 1.00 0.00 C ATOM 234 OG1 THR A 18 -8.099 -6.691 -9.995 1.00 0.00 O ATOM 235 CG2 THR A 18 -6.139 -5.919 -11.244 1.00 0.00 C ATOM 0 H THR A 18 -6.891 -5.809 -7.656 1.00 0.00 H new ATOM 0 HA THR A 18 -6.096 -8.091 -9.083 1.00 0.00 H new ATOM 0 HB THR A 18 -6.829 -5.203 -9.448 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.650 -6.286 -9.293 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.820 -5.324 -11.852 1.00 0.00 H new ATOM 0 HG22 THR A 18 -5.206 -5.373 -11.104 1.00 0.00 H new ATOM 0 HG23 THR A 18 -5.934 -6.863 -11.748 1.00 0.00 H new ATOM 243 N LEU A 19 -3.867 -5.834 -8.639 1.00 0.00 N ATOM 244 CA LEU A 19 -2.507 -5.502 -8.854 1.00 0.00 C ATOM 245 C LEU A 19 -1.564 -6.247 -7.921 1.00 0.00 C ATOM 246 O LEU A 19 -0.364 -6.281 -8.125 1.00 0.00 O ATOM 247 CB LEU A 19 -2.371 -4.008 -8.842 1.00 0.00 C ATOM 248 CG LEU A 19 -3.043 -3.347 -10.046 1.00 0.00 C ATOM 249 CD1 LEU A 19 -3.106 -1.874 -9.893 1.00 0.00 C ATOM 250 CD2 LEU A 19 -2.326 -3.705 -11.339 1.00 0.00 C ATOM 0 H LEU A 19 -4.359 -5.205 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 19 -2.189 -5.848 -9.838 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.809 -3.614 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -1.314 -3.743 -8.830 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.062 -3.730 -10.094 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.590 -1.438 -10.767 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -3.679 -1.625 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -2.096 -1.474 -9.800 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.826 -3.221 -12.178 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.292 -3.365 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.346 -4.786 -11.479 1.00 0.00 H new ATOM 262 N LEU A 20 -2.119 -6.858 -6.912 1.00 0.00 N ATOM 263 CA LEU A 20 -1.326 -7.663 -5.982 1.00 0.00 C ATOM 264 C LEU A 20 -1.211 -9.052 -6.543 1.00 0.00 C ATOM 265 O LEU A 20 -0.290 -9.812 -6.217 1.00 0.00 O ATOM 266 CB LEU A 20 -2.040 -7.759 -4.647 1.00 0.00 C ATOM 267 CG LEU A 20 -2.689 -6.477 -4.189 1.00 0.00 C ATOM 268 CD1 LEU A 20 -3.361 -6.669 -2.848 1.00 0.00 C ATOM 269 CD2 LEU A 20 -1.692 -5.323 -4.123 1.00 0.00 C ATOM 0 H LEU A 20 -3.116 -6.823 -6.700 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.346 -7.205 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.804 -8.534 -4.713 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.325 -8.080 -3.889 1.00 0.00 H new ATOM 0 HG LEU A 20 -3.445 -6.216 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.823 -5.733 -2.535 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.126 -7.441 -2.932 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.619 -6.972 -2.109 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.202 -4.420 -3.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.895 -5.570 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.265 -5.154 -5.112 1.00 0.00 H new ATOM 281 N LYS A 21 -2.144 -9.368 -7.415 1.00 0.00 N ATOM 282 CA LYS A 21 -2.265 -10.676 -7.970 1.00 0.00 C ATOM 283 C LYS A 21 -1.612 -10.759 -9.324 1.00 0.00 C ATOM 284 O LYS A 21 -1.553 -11.824 -9.961 1.00 0.00 O ATOM 285 CB LYS A 21 -3.712 -11.116 -7.955 1.00 0.00 C ATOM 286 CG LYS A 21 -4.701 -10.285 -8.678 1.00 0.00 C ATOM 287 CD LYS A 21 -4.727 -10.595 -10.183 1.00 0.00 C ATOM 288 CE LYS A 21 -5.854 -9.873 -10.903 1.00 0.00 C ATOM 289 NZ LYS A 21 -5.913 -10.209 -12.341 1.00 0.00 N ATOM 0 H LYS A 21 -2.843 -8.707 -7.755 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.720 -11.386 -7.348 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.758 -12.124 -8.367 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.030 -11.183 -6.914 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.692 -10.453 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.466 -9.231 -8.529 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -3.774 -10.309 -10.627 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.836 -11.670 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -6.804 -10.130 -10.434 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -5.723 -8.797 -10.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.697 -9.692 -12.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.018 -9.941 -12.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.065 -11.232 -12.453 1.00 0.00 H new ATOM 303 N THR A 22 -1.158 -9.616 -9.748 1.00 0.00 N ATOM 304 CA THR A 22 -0.394 -9.405 -10.899 1.00 0.00 C ATOM 305 C THR A 22 0.838 -10.274 -10.907 1.00 0.00 C ATOM 306 O THR A 22 1.546 -10.418 -9.901 1.00 0.00 O ATOM 307 CB THR A 22 -0.010 -7.933 -10.911 1.00 0.00 C ATOM 308 OG1 THR A 22 -1.184 -7.142 -11.048 1.00 0.00 O ATOM 309 CG2 THR A 22 0.925 -7.625 -12.005 1.00 0.00 C ATOM 0 H THR A 22 -1.339 -8.749 -9.242 1.00 0.00 H new ATOM 0 HA THR A 22 -0.967 -9.668 -11.788 1.00 0.00 H new ATOM 0 HB THR A 22 0.491 -7.704 -9.970 1.00 0.00 H new ATOM 0 HG1 THR A 22 -1.947 -7.619 -10.659 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.176 -6.565 -11.981 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.833 -8.216 -11.885 1.00 0.00 H new ATOM 0 HG23 THR A 22 0.459 -7.866 -12.960 1.00 0.00 H new ATOM 317 N SER A 23 1.045 -10.848 -12.025 1.00 0.00 N ATOM 318 CA SER A 23 2.123 -11.682 -12.283 1.00 0.00 C ATOM 319 C SER A 23 3.426 -10.898 -12.351 1.00 0.00 C ATOM 320 O SER A 23 3.515 -9.847 -13.002 1.00 0.00 O ATOM 321 CB SER A 23 1.847 -12.346 -13.579 1.00 0.00 C ATOM 322 OG SER A 23 0.684 -13.157 -13.488 1.00 0.00 O ATOM 0 H SER A 23 0.423 -10.735 -12.826 1.00 0.00 H new ATOM 0 HA SER A 23 2.240 -12.412 -11.482 1.00 0.00 H new ATOM 0 HB2 SER A 23 1.713 -11.595 -14.357 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.701 -12.957 -13.870 1.00 0.00 H new ATOM 0 HG SER A 23 0.516 -13.586 -14.353 1.00 0.00 H new ATOM 328 N LEU A 24 4.407 -11.397 -11.677 1.00 0.00 N ATOM 329 CA LEU A 24 5.686 -10.802 -11.653 1.00 0.00 C ATOM 330 C LEU A 24 6.711 -11.616 -12.372 1.00 0.00 C ATOM 331 O LEU A 24 6.530 -12.819 -12.625 1.00 0.00 O ATOM 332 CB LEU A 24 6.090 -10.433 -10.226 1.00 0.00 C ATOM 333 CG LEU A 24 5.860 -11.467 -9.148 1.00 0.00 C ATOM 334 CD1 LEU A 24 6.778 -12.627 -9.328 1.00 0.00 C ATOM 335 CD2 LEU A 24 6.048 -10.834 -7.816 1.00 0.00 C ATOM 0 H LEU A 24 4.333 -12.247 -11.118 1.00 0.00 H new ATOM 0 HA LEU A 24 5.629 -9.869 -12.213 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.151 -10.182 -10.231 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.549 -9.529 -9.946 1.00 0.00 H new ATOM 0 HG LEU A 24 4.840 -11.845 -9.219 1.00 0.00 H new ATOM 0 HD11 LEU A 24 6.597 -13.360 -8.542 1.00 0.00 H new ATOM 0 HD12 LEU A 24 6.598 -13.086 -10.300 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.812 -12.285 -9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 24 5.883 -11.576 -7.034 1.00 0.00 H new ATOM 0 HD22 LEU A 24 7.063 -10.444 -7.738 1.00 0.00 H new ATOM 0 HD23 LEU A 24 5.336 -10.017 -7.697 1.00 0.00 H new ATOM 347 N ARG A 25 7.737 -10.956 -12.729 1.00 0.00 N ATOM 348 CA ARG A 25 8.877 -11.525 -13.391 1.00 0.00 C ATOM 349 C ARG A 25 9.923 -11.569 -12.322 1.00 0.00 C ATOM 350 O ARG A 25 9.606 -11.872 -11.194 1.00 0.00 O ATOM 351 CB ARG A 25 9.323 -10.581 -14.526 1.00 0.00 C ATOM 352 CG ARG A 25 8.201 -10.032 -15.399 1.00 0.00 C ATOM 353 CD ARG A 25 7.307 -11.121 -15.914 1.00 0.00 C ATOM 354 NE ARG A 25 6.220 -10.573 -16.724 1.00 0.00 N ATOM 355 CZ ARG A 25 5.012 -11.117 -16.874 1.00 0.00 C ATOM 356 NH1 ARG A 25 4.739 -12.316 -16.361 1.00 0.00 N ATOM 357 NH2 ARG A 25 4.083 -10.466 -17.553 1.00 0.00 N ATOM 0 H ARG A 25 7.827 -9.953 -12.568 1.00 0.00 H new ATOM 0 HA ARG A 25 8.683 -12.503 -13.830 1.00 0.00 H new ATOM 0 HB2 ARG A 25 9.862 -9.742 -14.087 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.028 -11.115 -15.163 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.610 -9.319 -14.824 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.629 -9.486 -16.240 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.890 -11.823 -16.510 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.893 -11.682 -15.076 1.00 0.00 H new ATOM 0 HE ARG A 25 6.402 -9.699 -17.217 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.457 -12.827 -15.848 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.812 -12.723 -16.481 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.293 -9.554 -17.958 1.00 0.00 H new ATOM 0 HH22 ARG A 25 3.157 -10.876 -17.672 1.00 0.00 H new ATOM 371 N LYS A 26 11.145 -11.359 -12.650 1.00 0.00 N ATOM 372 CA LYS A 26 12.125 -11.116 -11.631 1.00 0.00 C ATOM 373 C LYS A 26 12.902 -9.864 -11.955 1.00 0.00 C ATOM 374 O LYS A 26 13.921 -9.550 -11.342 1.00 0.00 O ATOM 375 CB LYS A 26 13.001 -12.320 -11.342 1.00 0.00 C ATOM 376 CG LYS A 26 13.771 -12.913 -12.506 1.00 0.00 C ATOM 377 CD LYS A 26 14.652 -14.068 -12.018 1.00 0.00 C ATOM 378 CE LYS A 26 13.830 -15.133 -11.279 1.00 0.00 C ATOM 379 NZ LYS A 26 14.662 -16.244 -10.768 1.00 0.00 N ATOM 0 H LYS A 26 11.499 -11.348 -13.607 1.00 0.00 H new ATOM 0 HA LYS A 26 11.601 -10.945 -10.691 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.718 -12.038 -10.571 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.371 -13.103 -10.920 1.00 0.00 H new ATOM 0 HG2 LYS A 26 13.077 -13.270 -13.267 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.389 -12.146 -12.973 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.159 -14.524 -12.868 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.426 -13.681 -11.356 1.00 0.00 H new ATOM 0 HE2 LYS A 26 13.303 -14.666 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.072 -15.532 -11.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.057 -16.934 -10.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.145 -16.710 -11.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 15.370 -15.871 -10.103 1.00 0.00 H new ATOM 393 N GLY A 27 12.346 -9.109 -12.880 1.00 0.00 N ATOM 394 CA GLY A 27 12.953 -7.890 -13.313 1.00 0.00 C ATOM 395 C GLY A 27 11.983 -6.735 -13.324 1.00 0.00 C ATOM 396 O GLY A 27 12.205 -5.743 -14.014 1.00 0.00 O ATOM 0 H GLY A 27 11.465 -9.331 -13.344 1.00 0.00 H new ATOM 0 HA2 GLY A 27 13.790 -7.651 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 27 13.362 -8.027 -14.314 1.00 0.00 H new ATOM 400 N ASP A 28 10.899 -6.864 -12.576 1.00 0.00 N ATOM 401 CA ASP A 28 9.926 -5.782 -12.473 1.00 0.00 C ATOM 402 C ASP A 28 10.301 -4.920 -11.314 1.00 0.00 C ATOM 403 O ASP A 28 11.149 -5.292 -10.484 1.00 0.00 O ATOM 404 CB ASP A 28 8.481 -6.254 -12.196 1.00 0.00 C ATOM 405 CG ASP A 28 7.871 -7.166 -13.204 1.00 0.00 C ATOM 406 OD1 ASP A 28 7.645 -6.747 -14.355 1.00 0.00 O ATOM 407 OD2 ASP A 28 7.536 -8.299 -12.830 1.00 0.00 O ATOM 0 H ASP A 28 10.669 -7.698 -12.035 1.00 0.00 H new ATOM 0 HA ASP A 28 9.944 -5.271 -13.436 1.00 0.00 H new ATOM 0 HB2 ASP A 28 8.467 -6.757 -11.229 1.00 0.00 H new ATOM 0 HB3 ASP A 28 7.846 -5.372 -12.106 1.00 0.00 H new ATOM 412 N THR A 29 9.659 -3.813 -11.225 1.00 0.00 N ATOM 413 CA THR A 29 9.826 -2.924 -10.145 1.00 0.00 C ATOM 414 C THR A 29 8.493 -2.785 -9.438 1.00 0.00 C ATOM 415 O THR A 29 7.441 -2.622 -10.077 1.00 0.00 O ATOM 416 CB THR A 29 10.309 -1.552 -10.643 1.00 0.00 C ATOM 417 OG1 THR A 29 11.548 -1.717 -11.349 1.00 0.00 O ATOM 418 CG2 THR A 29 10.519 -0.604 -9.485 1.00 0.00 C ATOM 0 H THR A 29 8.986 -3.496 -11.922 1.00 0.00 H new ATOM 0 HA THR A 29 10.578 -3.312 -9.459 1.00 0.00 H new ATOM 0 HB THR A 29 9.550 -1.133 -11.303 1.00 0.00 H new ATOM 0 HG1 THR A 29 11.860 -0.845 -11.670 1.00 0.00 H new ATOM 0 HG21 THR A 29 10.861 0.360 -9.861 1.00 0.00 H new ATOM 0 HG22 THR A 29 9.580 -0.472 -8.948 1.00 0.00 H new ATOM 0 HG23 THR A 29 11.268 -1.016 -8.809 1.00 0.00 H new ATOM 426 N TRP A 30 8.525 -2.930 -8.163 1.00 0.00 N ATOM 427 CA TRP A 30 7.383 -2.771 -7.345 1.00 0.00 C ATOM 428 C TRP A 30 7.634 -1.576 -6.467 1.00 0.00 C ATOM 429 O TRP A 30 8.781 -1.190 -6.250 1.00 0.00 O ATOM 430 CB TRP A 30 7.102 -4.035 -6.499 1.00 0.00 C ATOM 431 CG TRP A 30 6.665 -5.253 -7.301 1.00 0.00 C ATOM 432 CD1 TRP A 30 7.384 -5.946 -8.240 1.00 0.00 C ATOM 433 CD2 TRP A 30 5.400 -5.929 -7.197 1.00 0.00 C ATOM 434 NE1 TRP A 30 6.616 -6.973 -8.759 1.00 0.00 N ATOM 435 CE2 TRP A 30 5.401 -6.987 -8.118 1.00 0.00 C ATOM 436 CE3 TRP A 30 4.266 -5.729 -6.419 1.00 0.00 C ATOM 437 CZ2 TRP A 30 4.300 -7.839 -8.275 1.00 0.00 C ATOM 438 CZ3 TRP A 30 3.186 -6.571 -6.571 1.00 0.00 C ATOM 439 CH2 TRP A 30 3.209 -7.612 -7.492 1.00 0.00 C ATOM 0 H TRP A 30 9.372 -3.169 -7.647 1.00 0.00 H new ATOM 0 HA TRP A 30 6.497 -2.620 -7.962 1.00 0.00 H new ATOM 0 HB2 TRP A 30 8.003 -4.289 -5.940 1.00 0.00 H new ATOM 0 HB3 TRP A 30 6.328 -3.802 -5.768 1.00 0.00 H new ATOM 0 HD1 TRP A 30 8.400 -5.723 -8.532 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.905 -7.615 -9.497 1.00 0.00 H new ATOM 0 HE3 TRP A 30 4.232 -4.922 -5.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 4.316 -8.647 -8.991 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 2.306 -6.420 -5.964 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.345 -8.253 -7.588 1.00 0.00 H new ATOM 450 N TYR A 31 6.616 -0.981 -6.013 1.00 0.00 N ATOM 451 CA TYR A 31 6.728 0.169 -5.193 1.00 0.00 C ATOM 452 C TYR A 31 6.298 -0.145 -3.823 1.00 0.00 C ATOM 453 O TYR A 31 5.255 -0.766 -3.611 1.00 0.00 O ATOM 454 CB TYR A 31 5.950 1.297 -5.760 1.00 0.00 C ATOM 455 CG TYR A 31 6.563 1.857 -7.016 1.00 0.00 C ATOM 456 CD1 TYR A 31 6.253 1.342 -8.262 1.00 0.00 C ATOM 457 CD2 TYR A 31 7.468 2.895 -6.945 1.00 0.00 C ATOM 458 CE1 TYR A 31 6.833 1.851 -9.403 1.00 0.00 C ATOM 459 CE2 TYR A 31 8.048 3.414 -8.074 1.00 0.00 C ATOM 460 CZ TYR A 31 7.729 2.887 -9.306 1.00 0.00 C ATOM 461 OH TYR A 31 8.312 3.395 -10.448 1.00 0.00 O ATOM 0 H TYR A 31 5.657 -1.275 -6.197 1.00 0.00 H new ATOM 0 HA TYR A 31 7.773 0.478 -5.159 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.936 0.961 -5.975 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.872 2.089 -5.015 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.546 0.529 -8.341 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.725 3.308 -5.981 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.584 1.437 -10.369 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.750 4.231 -7.998 1.00 0.00 H new ATOM 0 HH TYR A 31 8.921 4.125 -10.208 1.00 0.00 H new ATOM 471 N LEU A 32 7.123 0.213 -2.914 1.00 0.00 N ATOM 472 CA LEU A 32 6.946 -0.086 -1.583 1.00 0.00 C ATOM 473 C LEU A 32 6.088 0.934 -0.811 1.00 0.00 C ATOM 474 O LEU A 32 6.206 2.137 -0.998 1.00 0.00 O ATOM 475 CB LEU A 32 8.325 -0.323 -0.972 1.00 0.00 C ATOM 476 CG LEU A 32 8.298 -0.865 0.379 1.00 0.00 C ATOM 477 CD1 LEU A 32 7.527 -2.073 0.254 1.00 0.00 C ATOM 478 CD2 LEU A 32 9.676 -1.181 0.887 1.00 0.00 C ATOM 0 H LEU A 32 7.971 0.745 -3.107 1.00 0.00 H new ATOM 0 HA LEU A 32 6.350 -0.995 -1.500 1.00 0.00 H new ATOM 0 HB2 LEU A 32 8.881 -1.006 -1.614 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.872 0.620 -0.961 1.00 0.00 H new ATOM 0 HG LEU A 32 7.878 -0.153 1.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.450 -2.558 1.227 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.529 -1.831 -0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 32 8.017 -2.747 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 32 9.608 -1.583 1.898 1.00 0.00 H new ATOM 0 HD22 LEU A 32 10.144 -1.918 0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 32 10.277 -0.272 0.898 1.00 0.00 H new ATOM 490 N VAL A 33 5.224 0.392 0.052 1.00 0.00 N ATOM 491 CA VAL A 33 4.291 1.111 0.913 1.00 0.00 C ATOM 492 C VAL A 33 4.403 0.529 2.305 1.00 0.00 C ATOM 493 O VAL A 33 4.826 -0.607 2.451 1.00 0.00 O ATOM 494 CB VAL A 33 2.828 0.892 0.386 1.00 0.00 C ATOM 495 CG1 VAL A 33 1.743 1.350 1.360 1.00 0.00 C ATOM 496 CG2 VAL A 33 2.660 1.602 -0.907 1.00 0.00 C ATOM 0 H VAL A 33 5.156 -0.619 0.173 1.00 0.00 H new ATOM 0 HA VAL A 33 4.520 2.177 0.919 1.00 0.00 H new ATOM 0 HB VAL A 33 2.701 -0.184 0.266 1.00 0.00 H new ATOM 0 HG11 VAL A 33 0.761 1.166 0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 33 1.835 0.796 2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 33 1.858 2.416 1.558 1.00 0.00 H new ATOM 0 HG21 VAL A 33 1.645 1.452 -1.275 1.00 0.00 H new ATOM 0 HG22 VAL A 33 2.840 2.667 -0.763 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.372 1.209 -1.633 1.00 0.00 H new ATOM 506 N ASP A 34 4.083 1.308 3.317 1.00 0.00 N ATOM 507 CA ASP A 34 4.022 0.792 4.673 1.00 0.00 C ATOM 508 C ASP A 34 2.819 -0.107 4.798 1.00 0.00 C ATOM 509 O ASP A 34 1.749 0.171 4.240 1.00 0.00 O ATOM 510 CB ASP A 34 3.960 1.917 5.709 1.00 0.00 C ATOM 511 CG ASP A 34 3.827 1.395 7.121 1.00 0.00 C ATOM 512 OD1 ASP A 34 4.849 1.026 7.720 1.00 0.00 O ATOM 513 OD2 ASP A 34 2.695 1.315 7.634 1.00 0.00 O ATOM 0 H ASP A 34 3.861 2.300 3.229 1.00 0.00 H new ATOM 0 HA ASP A 34 4.933 0.227 4.872 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.861 2.526 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.115 2.568 5.484 1.00 0.00 H new ATOM 518 N SER A 35 2.976 -1.123 5.555 1.00 0.00 N ATOM 519 CA SER A 35 2.023 -2.158 5.656 1.00 0.00 C ATOM 520 C SER A 35 0.798 -1.704 6.407 1.00 0.00 C ATOM 521 O SER A 35 -0.319 -2.047 6.039 1.00 0.00 O ATOM 522 CB SER A 35 2.693 -3.310 6.352 1.00 0.00 C ATOM 523 OG SER A 35 3.244 -2.885 7.593 1.00 0.00 O ATOM 0 H SER A 35 3.799 -1.262 6.141 1.00 0.00 H new ATOM 0 HA SER A 35 1.680 -2.457 4.666 1.00 0.00 H new ATOM 0 HB2 SER A 35 1.972 -4.110 6.521 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.480 -3.719 5.718 1.00 0.00 H new ATOM 0 HG SER A 35 4.193 -2.670 7.473 1.00 0.00 H new ATOM 529 N ARG A 36 0.994 -0.871 7.396 1.00 0.00 N ATOM 530 CA ARG A 36 -0.095 -0.476 8.235 1.00 0.00 C ATOM 531 C ARG A 36 -0.884 0.601 7.563 1.00 0.00 C ATOM 532 O ARG A 36 -2.072 0.725 7.804 1.00 0.00 O ATOM 533 CB ARG A 36 0.383 0.002 9.584 1.00 0.00 C ATOM 534 CG ARG A 36 1.260 -0.970 10.335 1.00 0.00 C ATOM 535 CD ARG A 36 0.643 -2.368 10.472 1.00 0.00 C ATOM 536 NE ARG A 36 -0.682 -2.404 11.133 1.00 0.00 N ATOM 537 CZ ARG A 36 -1.247 -3.532 11.620 1.00 0.00 C ATOM 538 NH1 ARG A 36 -0.531 -4.656 11.702 1.00 0.00 N ATOM 539 NH2 ARG A 36 -2.502 -3.522 12.051 1.00 0.00 N ATOM 0 H ARG A 36 1.895 -0.457 7.635 1.00 0.00 H new ATOM 0 HA ARG A 36 -0.726 -1.349 8.398 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.933 0.933 9.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -0.487 0.233 10.199 1.00 0.00 H new ATOM 0 HG2 ARG A 36 2.219 -1.053 9.823 1.00 0.00 H new ATOM 0 HG3 ARG A 36 1.463 -0.572 11.329 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.549 -2.806 9.478 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.331 -2.999 11.035 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.197 -1.529 11.226 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.442 -4.664 11.397 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.957 -5.507 12.069 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -3.046 -2.660 12.016 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.922 -4.376 12.417 1.00 0.00 H new ATOM 553 N TRP A 37 -0.229 1.359 6.689 1.00 0.00 N ATOM 554 CA TRP A 37 -0.923 2.394 5.943 1.00 0.00 C ATOM 555 C TRP A 37 -1.915 1.709 5.021 1.00 0.00 C ATOM 556 O TRP A 37 -3.083 2.081 4.938 1.00 0.00 O ATOM 557 CB TRP A 37 0.061 3.287 5.123 1.00 0.00 C ATOM 558 CG TRP A 37 -0.638 4.347 4.281 1.00 0.00 C ATOM 559 CD1 TRP A 37 -0.849 5.663 4.598 1.00 0.00 C ATOM 560 CD2 TRP A 37 -1.241 4.153 2.992 1.00 0.00 C ATOM 561 NE1 TRP A 37 -1.550 6.280 3.582 1.00 0.00 N ATOM 562 CE2 TRP A 37 -1.802 5.369 2.593 1.00 0.00 C ATOM 563 CE3 TRP A 37 -1.356 3.054 2.149 1.00 0.00 C ATOM 564 CZ2 TRP A 37 -2.479 5.513 1.381 1.00 0.00 C ATOM 565 CZ3 TRP A 37 -2.012 3.182 0.967 1.00 0.00 C ATOM 566 CH2 TRP A 37 -2.573 4.404 0.580 1.00 0.00 C ATOM 0 H TRP A 37 0.767 1.276 6.484 1.00 0.00 H new ATOM 0 HA TRP A 37 -1.434 3.060 6.639 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.752 3.777 5.809 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.658 2.651 4.470 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.517 6.145 5.506 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -1.835 7.259 3.570 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.926 2.104 2.432 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -2.911 6.458 1.086 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -2.102 2.326 0.315 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -3.089 4.475 -0.366 1.00 0.00 H new ATOM 577 N PHE A 38 -1.438 0.692 4.342 1.00 0.00 N ATOM 578 CA PHE A 38 -2.246 -0.067 3.438 1.00 0.00 C ATOM 579 C PHE A 38 -3.341 -0.817 4.204 1.00 0.00 C ATOM 580 O PHE A 38 -4.454 -0.930 3.734 1.00 0.00 O ATOM 581 CB PHE A 38 -1.360 -1.018 2.673 1.00 0.00 C ATOM 582 CG PHE A 38 -1.996 -1.628 1.453 1.00 0.00 C ATOM 583 CD1 PHE A 38 -2.691 -2.824 1.532 1.00 0.00 C ATOM 584 CD2 PHE A 38 -1.875 -1.013 0.222 1.00 0.00 C ATOM 585 CE1 PHE A 38 -3.251 -3.392 0.413 1.00 0.00 C ATOM 586 CE2 PHE A 38 -2.432 -1.580 -0.901 1.00 0.00 C ATOM 587 CZ PHE A 38 -3.120 -2.773 -0.803 1.00 0.00 C ATOM 0 H PHE A 38 -0.472 0.372 4.407 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.741 0.599 2.732 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.458 -0.487 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.048 -1.820 3.342 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.794 -3.317 2.487 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -1.339 -0.079 0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -3.793 -4.323 0.491 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -2.331 -1.092 -1.859 1.00 0.00 H new ATOM 0 HZ PHE A 38 -3.555 -3.219 -1.685 1.00 0.00 H new ATOM 597 N LYS A 39 -3.021 -1.322 5.393 1.00 0.00 N ATOM 598 CA LYS A 39 -4.010 -1.978 6.232 1.00 0.00 C ATOM 599 C LYS A 39 -5.062 -1.011 6.738 1.00 0.00 C ATOM 600 O LYS A 39 -6.221 -1.386 6.928 1.00 0.00 O ATOM 601 CB LYS A 39 -3.336 -2.796 7.329 1.00 0.00 C ATOM 602 CG LYS A 39 -2.591 -3.975 6.715 1.00 0.00 C ATOM 603 CD LYS A 39 -1.686 -4.729 7.660 1.00 0.00 C ATOM 604 CE LYS A 39 -1.020 -5.859 6.882 1.00 0.00 C ATOM 605 NZ LYS A 39 -0.094 -6.687 7.685 1.00 0.00 N ATOM 0 H LYS A 39 -2.084 -1.288 5.794 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.562 -2.691 5.619 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -2.642 -2.168 7.888 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.083 -3.156 8.037 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.322 -4.672 6.305 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.994 -3.611 5.879 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.933 -4.061 8.080 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.259 -5.129 8.496 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.794 -6.502 6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.472 -5.432 6.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.105 -7.664 7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.869 -6.302 7.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -0.394 -6.677 8.681 1.00 0.00 H new ATOM 619 N GLN A 40 -4.672 0.231 6.904 1.00 0.00 N ATOM 620 CA GLN A 40 -5.558 1.273 7.228 1.00 0.00 C ATOM 621 C GLN A 40 -6.504 1.502 6.038 1.00 0.00 C ATOM 622 O GLN A 40 -7.725 1.602 6.208 1.00 0.00 O ATOM 623 CB GLN A 40 -4.725 2.500 7.485 1.00 0.00 C ATOM 624 CG GLN A 40 -5.494 3.679 7.894 1.00 0.00 C ATOM 625 CD GLN A 40 -6.095 3.520 9.244 1.00 0.00 C ATOM 626 OE1 GLN A 40 -5.507 3.893 10.245 1.00 0.00 O ATOM 627 NE2 GLN A 40 -7.236 2.946 9.300 1.00 0.00 N ATOM 0 H GLN A 40 -3.701 0.530 6.810 1.00 0.00 H new ATOM 0 HA GLN A 40 -6.158 1.038 8.107 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -3.993 2.272 8.260 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -4.167 2.741 6.580 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -4.844 4.554 7.889 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -6.284 3.865 7.167 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -7.699 2.647 8.442 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -7.683 2.787 10.203 1.00 0.00 H new ATOM 636 N TRP A 41 -5.916 1.549 4.837 1.00 0.00 N ATOM 637 CA TRP A 41 -6.657 1.691 3.585 1.00 0.00 C ATOM 638 C TRP A 41 -7.623 0.540 3.403 1.00 0.00 C ATOM 639 O TRP A 41 -8.755 0.742 3.016 1.00 0.00 O ATOM 640 CB TRP A 41 -5.690 1.794 2.374 1.00 0.00 C ATOM 641 CG TRP A 41 -6.373 1.702 1.026 1.00 0.00 C ATOM 642 CD1 TRP A 41 -7.011 2.694 0.343 1.00 0.00 C ATOM 643 CD2 TRP A 41 -6.487 0.532 0.213 1.00 0.00 C ATOM 644 NE1 TRP A 41 -7.522 2.214 -0.829 1.00 0.00 N ATOM 645 CE2 TRP A 41 -7.208 0.889 -0.937 1.00 0.00 C ATOM 646 CE3 TRP A 41 -6.052 -0.781 0.352 1.00 0.00 C ATOM 647 CZ2 TRP A 41 -7.500 -0.022 -1.938 1.00 0.00 C ATOM 648 CZ3 TRP A 41 -6.343 -1.681 -0.643 1.00 0.00 C ATOM 649 CH2 TRP A 41 -7.060 -1.299 -1.772 1.00 0.00 C ATOM 0 H TRP A 41 -4.906 1.489 4.709 1.00 0.00 H new ATOM 0 HA TRP A 41 -7.231 2.616 3.636 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.152 2.740 2.432 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -4.947 1.000 2.448 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.100 3.716 0.681 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -8.051 2.756 -1.512 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -5.496 -1.087 1.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -8.056 0.270 -2.817 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.009 -2.704 -0.547 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -7.273 -2.033 -2.535 1.00 0.00 H new ATOM 660 N LYS A 42 -7.172 -0.654 3.728 1.00 0.00 N ATOM 661 CA LYS A 42 -7.957 -1.855 3.605 1.00 0.00 C ATOM 662 C LYS A 42 -9.254 -1.774 4.377 1.00 0.00 C ATOM 663 O LYS A 42 -10.280 -2.230 3.920 1.00 0.00 O ATOM 664 CB LYS A 42 -7.139 -3.020 4.068 1.00 0.00 C ATOM 665 CG LYS A 42 -6.143 -3.532 3.032 1.00 0.00 C ATOM 666 CD LYS A 42 -5.024 -4.338 3.668 1.00 0.00 C ATOM 667 CE LYS A 42 -5.519 -5.238 4.776 1.00 0.00 C ATOM 668 NZ LYS A 42 -6.346 -6.352 4.289 1.00 0.00 N ATOM 0 H LYS A 42 -6.232 -0.815 4.091 1.00 0.00 H new ATOM 0 HA LYS A 42 -8.227 -1.982 2.557 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -6.596 -2.734 4.968 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.809 -3.834 4.345 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -6.665 -4.150 2.302 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.718 -2.688 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.536 -4.943 2.904 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -4.271 -3.658 4.066 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -4.664 -5.639 5.319 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -6.098 -4.646 5.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.697 -6.903 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.152 -5.976 3.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.774 -6.966 3.674 1.00 0.00 H new ATOM 682 N LYS A 43 -9.197 -1.179 5.510 1.00 0.00 N ATOM 683 CA LYS A 43 -10.367 -0.997 6.351 1.00 0.00 C ATOM 684 C LYS A 43 -11.247 0.087 5.860 1.00 0.00 C ATOM 685 O LYS A 43 -12.471 -0.023 5.899 1.00 0.00 O ATOM 686 CB LYS A 43 -9.909 -0.705 7.715 1.00 0.00 C ATOM 687 CG LYS A 43 -9.350 -1.920 8.298 1.00 0.00 C ATOM 688 CD LYS A 43 -8.568 -1.677 9.520 1.00 0.00 C ATOM 689 CE LYS A 43 -8.347 -2.989 10.182 1.00 0.00 C ATOM 690 NZ LYS A 43 -7.734 -3.979 9.260 1.00 0.00 N ATOM 0 H LYS A 43 -8.338 -0.793 5.902 1.00 0.00 H new ATOM 0 HA LYS A 43 -10.960 -1.911 6.330 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.158 0.085 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.739 -0.344 8.322 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.162 -2.611 8.527 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.714 -2.409 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -7.616 -1.206 9.277 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.100 -0.997 10.186 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -7.702 -2.853 11.050 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.298 -3.375 10.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.534 -4.858 9.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.391 -4.179 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.847 -3.594 8.877 1.00 0.00 H new ATOM 704 N TYR A 44 -10.628 1.112 5.378 1.00 0.00 N ATOM 705 CA TYR A 44 -11.317 2.236 4.872 1.00 0.00 C ATOM 706 C TYR A 44 -12.041 1.854 3.571 1.00 0.00 C ATOM 707 O TYR A 44 -13.113 2.331 3.286 1.00 0.00 O ATOM 708 CB TYR A 44 -10.300 3.393 4.654 1.00 0.00 C ATOM 709 CG TYR A 44 -10.453 4.167 3.359 1.00 0.00 C ATOM 710 CD1 TYR A 44 -11.432 5.145 3.181 1.00 0.00 C ATOM 711 CD2 TYR A 44 -9.620 3.881 2.301 1.00 0.00 C ATOM 712 CE1 TYR A 44 -11.550 5.806 1.964 1.00 0.00 C ATOM 713 CE2 TYR A 44 -9.735 4.522 1.107 1.00 0.00 C ATOM 714 CZ TYR A 44 -10.684 5.476 0.932 1.00 0.00 C ATOM 715 OH TYR A 44 -10.785 6.081 -0.298 1.00 0.00 O ATOM 0 H TYR A 44 -9.612 1.187 5.327 1.00 0.00 H new ATOM 0 HA TYR A 44 -12.073 2.575 5.580 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -10.388 4.092 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -9.293 2.979 4.691 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.101 5.390 3.993 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -8.855 3.128 2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -12.305 6.565 1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -9.069 4.271 0.295 1.00 0.00 H new ATOM 0 HH TYR A 44 -10.160 5.658 -0.923 1.00 0.00 H new ATOM 725 N VAL A 45 -11.436 1.003 2.799 1.00 0.00 N ATOM 726 CA VAL A 45 -11.969 0.619 1.556 1.00 0.00 C ATOM 727 C VAL A 45 -12.902 -0.618 1.653 1.00 0.00 C ATOM 728 O VAL A 45 -13.774 -0.799 0.801 1.00 0.00 O ATOM 729 CB VAL A 45 -10.825 0.362 0.567 1.00 0.00 C ATOM 730 CG1 VAL A 45 -10.175 -0.974 0.665 1.00 0.00 C ATOM 731 CG2 VAL A 45 -11.190 0.714 -0.765 1.00 0.00 C ATOM 0 H VAL A 45 -10.548 0.558 3.030 1.00 0.00 H new ATOM 0 HA VAL A 45 -12.591 1.439 1.198 1.00 0.00 H new ATOM 0 HB VAL A 45 -10.031 1.040 0.881 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -9.382 -1.048 -0.079 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.751 -1.100 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -10.916 -1.753 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -10.353 0.517 -1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -12.051 0.121 -1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -11.446 1.773 -0.804 1.00 0.00 H new ATOM 741 N GLY A 46 -12.756 -1.426 2.697 1.00 0.00 N ATOM 742 CA GLY A 46 -13.495 -2.652 2.795 1.00 0.00 C ATOM 743 C GLY A 46 -12.787 -3.811 2.118 1.00 0.00 C ATOM 744 O GLY A 46 -13.419 -4.732 1.616 1.00 0.00 O ATOM 0 H GLY A 46 -12.130 -1.243 3.481 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -13.656 -2.893 3.846 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.478 -2.517 2.344 1.00 0.00 H new ATOM 748 N PHE A 47 -11.473 -3.730 2.089 1.00 0.00 N ATOM 749 CA PHE A 47 -10.617 -4.756 1.532 1.00 0.00 C ATOM 750 C PHE A 47 -10.519 -5.896 2.534 1.00 0.00 C ATOM 751 O PHE A 47 -10.410 -7.064 2.157 1.00 0.00 O ATOM 752 CB PHE A 47 -9.241 -4.161 1.292 1.00 0.00 C ATOM 753 CG PHE A 47 -8.332 -4.945 0.409 1.00 0.00 C ATOM 754 CD1 PHE A 47 -7.475 -5.898 0.917 1.00 0.00 C ATOM 755 CD2 PHE A 47 -8.325 -4.699 -0.932 1.00 0.00 C ATOM 756 CE1 PHE A 47 -6.624 -6.593 0.088 1.00 0.00 C ATOM 757 CE2 PHE A 47 -7.487 -5.381 -1.771 1.00 0.00 C ATOM 758 CZ PHE A 47 -6.631 -6.333 -1.264 1.00 0.00 C ATOM 0 H PHE A 47 -10.959 -2.931 2.460 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.020 -5.129 0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -9.367 -3.168 0.860 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.752 -4.028 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -7.471 -6.102 1.978 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.992 -3.953 -1.339 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -5.955 -7.337 0.495 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.497 -5.173 -2.831 1.00 0.00 H new ATOM 0 HZ PHE A 47 -5.968 -6.873 -1.924 1.00 0.00 H new ATOM 768 N ASP A 48 -10.510 -5.556 3.823 1.00 0.00 N ATOM 769 CA ASP A 48 -10.581 -6.582 4.843 1.00 0.00 C ATOM 770 C ASP A 48 -12.005 -7.021 4.888 1.00 0.00 C ATOM 771 O ASP A 48 -12.856 -6.310 5.379 1.00 0.00 O ATOM 772 CB ASP A 48 -10.157 -6.108 6.255 1.00 0.00 C ATOM 773 CG ASP A 48 -8.686 -5.849 6.436 1.00 0.00 C ATOM 774 OD1 ASP A 48 -7.891 -6.825 6.444 1.00 0.00 O ATOM 775 OD2 ASP A 48 -8.287 -4.690 6.629 1.00 0.00 O ATOM 0 H ASP A 48 -10.455 -4.599 4.172 1.00 0.00 H new ATOM 0 HA ASP A 48 -9.883 -7.377 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -10.701 -5.193 6.491 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -10.468 -6.860 6.980 1.00 0.00 H new ATOM 780 N SER A 49 -12.268 -8.157 4.321 1.00 0.00 N ATOM 781 CA SER A 49 -13.606 -8.694 4.211 1.00 0.00 C ATOM 782 C SER A 49 -14.320 -8.791 5.573 1.00 0.00 C ATOM 783 O SER A 49 -15.534 -8.614 5.667 1.00 0.00 O ATOM 784 CB SER A 49 -13.500 -10.053 3.580 1.00 0.00 C ATOM 785 OG SER A 49 -12.669 -9.993 2.419 1.00 0.00 O ATOM 0 H SER A 49 -11.551 -8.755 3.911 1.00 0.00 H new ATOM 0 HA SER A 49 -14.208 -8.020 3.601 1.00 0.00 H new ATOM 0 HB2 SER A 49 -13.087 -10.763 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 49 -14.492 -10.415 3.308 1.00 0.00 H new ATOM 0 HG SER A 49 -12.605 -10.884 2.016 1.00 0.00 H new ATOM 791 N TRP A 50 -13.558 -9.032 6.612 1.00 0.00 N ATOM 792 CA TRP A 50 -14.098 -9.173 7.948 1.00 0.00 C ATOM 793 C TRP A 50 -14.024 -7.854 8.718 1.00 0.00 C ATOM 794 O TRP A 50 -14.618 -7.721 9.803 1.00 0.00 O ATOM 795 CB TRP A 50 -13.334 -10.273 8.706 1.00 0.00 C ATOM 796 CG TRP A 50 -11.857 -10.005 8.866 1.00 0.00 C ATOM 797 CD1 TRP A 50 -11.249 -9.421 9.934 1.00 0.00 C ATOM 798 CD2 TRP A 50 -10.808 -10.303 7.925 1.00 0.00 C ATOM 799 NE1 TRP A 50 -9.901 -9.343 9.723 1.00 0.00 N ATOM 800 CE2 TRP A 50 -9.603 -9.876 8.502 1.00 0.00 C ATOM 801 CE3 TRP A 50 -10.773 -10.888 6.659 1.00 0.00 C ATOM 802 CZ2 TRP A 50 -8.378 -10.017 7.860 1.00 0.00 C ATOM 803 CZ3 TRP A 50 -9.555 -11.027 6.021 1.00 0.00 C ATOM 804 CH2 TRP A 50 -8.375 -10.593 6.623 1.00 0.00 C ATOM 0 H TRP A 50 -12.545 -9.136 6.558 1.00 0.00 H new ATOM 0 HA TRP A 50 -15.148 -9.453 7.864 1.00 0.00 H new ATOM 0 HB2 TRP A 50 -13.779 -10.393 9.694 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -13.465 -11.219 8.180 1.00 0.00 H new ATOM 0 HD1 TRP A 50 -11.758 -9.070 10.820 1.00 0.00 H new ATOM 0 HE1 TRP A 50 -9.224 -8.948 10.376 1.00 0.00 H new ATOM 0 HE3 TRP A 50 -11.683 -11.227 6.185 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 -7.462 -9.683 8.324 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 -9.517 -11.479 5.041 1.00 0.00 H new ATOM 0 HH2 TRP A 50 -7.438 -10.715 6.099 1.00 0.00 H new ATOM 815 N ASP A 51 -13.333 -6.883 8.151 1.00 0.00 N ATOM 816 CA ASP A 51 -13.102 -5.601 8.835 1.00 0.00 C ATOM 817 C ASP A 51 -13.228 -4.491 7.853 1.00 0.00 C ATOM 818 O ASP A 51 -12.262 -4.041 7.240 1.00 0.00 O ATOM 819 CB ASP A 51 -11.749 -5.573 9.560 1.00 0.00 C ATOM 820 CG ASP A 51 -11.546 -4.405 10.521 1.00 0.00 C ATOM 821 OD1 ASP A 51 -11.833 -3.238 10.187 1.00 0.00 O ATOM 822 OD2 ASP A 51 -11.025 -4.654 11.637 1.00 0.00 O ATOM 0 H ASP A 51 -12.918 -6.946 7.221 1.00 0.00 H new ATOM 0 HA ASP A 51 -13.860 -5.474 9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -11.635 -6.503 10.116 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -10.956 -5.549 8.813 1.00 0.00 H new ATOM 827 N LYS A 52 -14.437 -4.108 7.656 1.00 0.00 N ATOM 828 CA LYS A 52 -14.751 -3.157 6.665 1.00 0.00 C ATOM 829 C LYS A 52 -15.892 -2.287 7.091 1.00 0.00 C ATOM 830 O LYS A 52 -16.523 -1.600 6.296 1.00 0.00 O ATOM 831 CB LYS A 52 -15.080 -3.911 5.456 1.00 0.00 C ATOM 832 CG LYS A 52 -16.229 -4.842 5.604 1.00 0.00 C ATOM 833 CD LYS A 52 -16.541 -5.416 4.297 1.00 0.00 C ATOM 834 CE LYS A 52 -17.627 -6.471 4.416 1.00 0.00 C ATOM 835 NZ LYS A 52 -18.143 -6.896 3.113 1.00 0.00 N ATOM 0 H LYS A 52 -15.239 -4.451 8.184 1.00 0.00 H new ATOM 0 HA LYS A 52 -13.910 -2.487 6.488 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -15.300 -3.208 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -14.203 -4.482 5.149 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -15.986 -5.632 6.315 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -17.095 -4.312 6.000 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -16.866 -4.628 3.617 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -15.643 -5.859 3.866 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.231 -7.337 4.946 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -18.447 -6.077 5.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -18.881 -7.616 3.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -18.547 -6.077 2.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.368 -7.298 2.547 1.00 0.00 H new ATOM 849 N TYR A 53 -16.152 -2.324 8.349 1.00 0.00 N ATOM 850 CA TYR A 53 -17.123 -1.445 8.981 1.00 0.00 C ATOM 851 C TYR A 53 -16.632 -0.007 8.995 1.00 0.00 C ATOM 852 O TYR A 53 -17.347 0.921 9.358 1.00 0.00 O ATOM 853 CB TYR A 53 -17.467 -1.901 10.399 1.00 0.00 C ATOM 854 CG TYR A 53 -16.311 -2.129 11.353 1.00 0.00 C ATOM 855 CD1 TYR A 53 -15.565 -3.285 11.295 1.00 0.00 C ATOM 856 CD2 TYR A 53 -16.012 -1.207 12.342 1.00 0.00 C ATOM 857 CE1 TYR A 53 -14.546 -3.530 12.191 1.00 0.00 C ATOM 858 CE2 TYR A 53 -14.985 -1.432 13.243 1.00 0.00 C ATOM 859 CZ TYR A 53 -14.257 -2.600 13.163 1.00 0.00 C ATOM 860 OH TYR A 53 -13.240 -2.843 14.067 1.00 0.00 O ATOM 0 H TYR A 53 -15.699 -2.970 8.996 1.00 0.00 H new ATOM 0 HA TYR A 53 -18.033 -1.497 8.384 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -18.129 -1.157 10.842 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -18.034 -2.829 10.327 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -15.783 -4.016 10.531 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -16.590 -0.297 12.412 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -13.978 -4.447 12.130 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -14.756 -0.699 14.002 1.00 0.00 H new ATOM 0 HH TYR A 53 -13.165 -2.087 14.686 1.00 0.00 H new ATOM 870 N GLN A 54 -15.409 0.149 8.597 1.00 0.00 N ATOM 871 CA GLN A 54 -14.743 1.391 8.555 1.00 0.00 C ATOM 872 C GLN A 54 -14.692 1.902 7.107 1.00 0.00 C ATOM 873 O GLN A 54 -13.973 2.833 6.783 1.00 0.00 O ATOM 874 CB GLN A 54 -13.349 1.163 9.088 1.00 0.00 C ATOM 875 CG GLN A 54 -13.330 0.358 10.403 1.00 0.00 C ATOM 876 CD GLN A 54 -12.087 0.525 11.201 1.00 0.00 C ATOM 877 OE1 GLN A 54 -11.998 1.397 12.067 1.00 0.00 O ATOM 878 NE2 GLN A 54 -11.133 -0.296 10.947 1.00 0.00 N ATOM 0 H GLN A 54 -14.830 -0.629 8.280 1.00 0.00 H new ATOM 0 HA GLN A 54 -15.261 2.140 9.154 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -12.761 0.635 8.337 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -12.867 2.127 9.252 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -14.183 0.658 11.012 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -13.460 -0.699 10.171 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -11.249 -1.003 10.221 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -10.260 -0.241 11.471 1.00 0.00 H new ATOM 887 N MET A 55 -15.452 1.265 6.251 1.00 0.00 N ATOM 888 CA MET A 55 -15.522 1.598 4.870 1.00 0.00 C ATOM 889 C MET A 55 -16.013 3.036 4.652 1.00 0.00 C ATOM 890 O MET A 55 -17.162 3.389 4.969 1.00 0.00 O ATOM 891 CB MET A 55 -16.426 0.620 4.186 1.00 0.00 C ATOM 892 CG MET A 55 -16.386 0.699 2.709 1.00 0.00 C ATOM 893 SD MET A 55 -17.620 -0.355 1.927 1.00 0.00 S ATOM 894 CE MET A 55 -17.323 -1.909 2.780 1.00 0.00 C ATOM 0 H MET A 55 -16.050 0.482 6.513 1.00 0.00 H new ATOM 0 HA MET A 55 -14.520 1.541 4.444 1.00 0.00 H new ATOM 0 HB2 MET A 55 -16.153 -0.389 4.494 1.00 0.00 H new ATOM 0 HB3 MET A 55 -17.449 0.789 4.522 1.00 0.00 H new ATOM 0 HG2 MET A 55 -16.546 1.732 2.399 1.00 0.00 H new ATOM 0 HG3 MET A 55 -15.394 0.412 2.360 1.00 0.00 H new ATOM 0 HE1 MET A 55 -17.536 -2.740 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 55 -16.281 -1.957 3.097 1.00 0.00 H new ATOM 0 HE3 MET A 55 -17.972 -1.974 3.654 1.00 0.00 H new ATOM 904 N GLY A 56 -15.124 3.846 4.132 1.00 0.00 N ATOM 905 CA GLY A 56 -15.391 5.230 3.887 1.00 0.00 C ATOM 906 C GLY A 56 -15.401 6.025 5.163 1.00 0.00 C ATOM 907 O GLY A 56 -15.948 7.127 5.205 1.00 0.00 O ATOM 0 H GLY A 56 -14.184 3.552 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -14.636 5.633 3.212 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -16.354 5.333 3.386 1.00 0.00 H new ATOM 911 N ASP A 57 -14.808 5.476 6.214 1.00 0.00 N ATOM 912 CA ASP A 57 -14.807 6.143 7.500 1.00 0.00 C ATOM 913 C ASP A 57 -13.626 7.054 7.575 1.00 0.00 C ATOM 914 O ASP A 57 -12.545 6.744 7.077 1.00 0.00 O ATOM 915 CB ASP A 57 -14.724 5.169 8.681 1.00 0.00 C ATOM 916 CG ASP A 57 -15.342 5.735 9.931 1.00 0.00 C ATOM 917 OD1 ASP A 57 -14.922 6.805 10.368 1.00 0.00 O ATOM 918 OD2 ASP A 57 -16.242 5.099 10.504 1.00 0.00 O ATOM 0 H ASP A 57 -14.326 4.577 6.198 1.00 0.00 H new ATOM 0 HA ASP A 57 -15.750 6.685 7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -15.228 4.239 8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -13.680 4.923 8.874 1.00 0.00 H new ATOM 923 N GLN A 58 -13.813 8.141 8.230 1.00 0.00 N ATOM 924 CA GLN A 58 -12.783 9.115 8.401 1.00 0.00 C ATOM 925 C GLN A 58 -11.898 8.749 9.561 1.00 0.00 C ATOM 926 O GLN A 58 -10.870 9.350 9.810 1.00 0.00 O ATOM 927 CB GLN A 58 -13.352 10.493 8.512 1.00 0.00 C ATOM 928 CG GLN A 58 -14.446 10.680 9.539 1.00 0.00 C ATOM 929 CD GLN A 58 -14.944 12.109 9.560 1.00 0.00 C ATOM 930 OE1 GLN A 58 -14.885 12.818 8.548 1.00 0.00 O ATOM 931 NE2 GLN A 58 -15.457 12.537 10.672 1.00 0.00 N ATOM 0 H GLN A 58 -14.698 8.389 8.672 1.00 0.00 H new ATOM 0 HA GLN A 58 -12.153 9.120 7.511 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.540 11.182 8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.744 10.782 7.537 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -15.275 10.007 9.317 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -14.071 10.409 10.526 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.490 11.925 11.487 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -15.828 13.485 10.731 1.00 0.00 H new ATOM 940 N ASN A 59 -12.327 7.761 10.267 1.00 0.00 N ATOM 941 CA ASN A 59 -11.565 7.169 11.335 1.00 0.00 C ATOM 942 C ASN A 59 -10.425 6.353 10.795 1.00 0.00 C ATOM 943 O ASN A 59 -9.454 6.068 11.497 1.00 0.00 O ATOM 944 CB ASN A 59 -12.450 6.276 12.189 1.00 0.00 C ATOM 945 CG ASN A 59 -13.306 7.026 13.186 1.00 0.00 C ATOM 946 OD1 ASN A 59 -12.929 8.093 13.676 1.00 0.00 O ATOM 947 ND2 ASN A 59 -14.449 6.480 13.511 1.00 0.00 N ATOM 0 H ASN A 59 -13.238 7.325 10.122 1.00 0.00 H new ATOM 0 HA ASN A 59 -11.167 7.981 11.944 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -13.099 5.694 11.535 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -11.821 5.567 12.727 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -15.059 6.938 14.189 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -14.731 5.596 13.087 1.00 0.00 H new ATOM 954 N VAL A 60 -10.538 5.967 9.549 1.00 0.00 N ATOM 955 CA VAL A 60 -9.555 5.093 8.952 1.00 0.00 C ATOM 956 C VAL A 60 -9.031 5.624 7.676 1.00 0.00 C ATOM 957 O VAL A 60 -8.333 4.916 6.965 1.00 0.00 O ATOM 958 CB VAL A 60 -10.140 3.714 8.678 1.00 0.00 C ATOM 959 CG1 VAL A 60 -10.533 3.130 9.914 1.00 0.00 C ATOM 960 CG2 VAL A 60 -11.362 3.812 7.926 1.00 0.00 C ATOM 0 H VAL A 60 -11.299 6.242 8.928 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.741 5.026 9.674 1.00 0.00 H new ATOM 0 HB VAL A 60 -9.384 3.140 8.142 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -10.954 2.141 9.732 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -9.664 3.040 10.566 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.282 3.761 10.392 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -11.758 2.813 7.744 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -12.091 4.394 8.490 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -11.164 4.303 6.973 1.00 0.00 H new ATOM 970 N TYR A 61 -9.394 6.833 7.368 1.00 0.00 N ATOM 971 CA TYR A 61 -8.920 7.443 6.139 1.00 0.00 C ATOM 972 C TYR A 61 -7.388 7.597 6.202 1.00 0.00 C ATOM 973 O TYR A 61 -6.849 8.271 7.093 1.00 0.00 O ATOM 974 CB TYR A 61 -9.643 8.790 5.766 1.00 0.00 C ATOM 975 CG TYR A 61 -9.041 10.080 6.309 1.00 0.00 C ATOM 976 CD1 TYR A 61 -9.392 10.574 7.543 1.00 0.00 C ATOM 977 CD2 TYR A 61 -8.117 10.802 5.555 1.00 0.00 C ATOM 978 CE1 TYR A 61 -8.848 11.745 8.027 1.00 0.00 C ATOM 979 CE2 TYR A 61 -7.564 11.976 6.032 1.00 0.00 C ATOM 980 CZ TYR A 61 -7.937 12.439 7.274 1.00 0.00 C ATOM 981 OH TYR A 61 -7.394 13.605 7.771 1.00 0.00 O ATOM 0 H TYR A 61 -10.008 7.418 7.934 1.00 0.00 H new ATOM 0 HA TYR A 61 -9.181 6.770 5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -9.677 8.865 4.679 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -10.674 8.727 6.113 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -10.108 10.034 8.145 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -7.828 10.438 4.580 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -9.140 12.115 8.999 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -6.848 12.524 5.437 1.00 0.00 H new ATOM 0 HH TYR A 61 -6.765 13.977 7.118 1.00 0.00 H new ATOM 991 N PRO A 62 -6.668 6.909 5.331 1.00 0.00 N ATOM 992 CA PRO A 62 -5.254 6.994 5.280 1.00 0.00 C ATOM 993 C PRO A 62 -4.853 8.129 4.397 1.00 0.00 C ATOM 994 O PRO A 62 -5.130 8.125 3.210 1.00 0.00 O ATOM 995 CB PRO A 62 -4.815 5.662 4.674 1.00 0.00 C ATOM 996 CG PRO A 62 -6.053 5.031 4.136 1.00 0.00 C ATOM 997 CD PRO A 62 -7.173 6.006 4.319 1.00 0.00 C ATOM 0 HA PRO A 62 -4.801 7.170 6.256 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.080 5.816 3.884 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.347 5.026 5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.929 4.783 3.082 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.267 4.099 4.660 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.405 6.530 3.392 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -8.088 5.511 4.643 1.00 0.00 H new ATOM 1005 N GLY A 63 -4.298 9.119 5.004 1.00 0.00 N ATOM 1006 CA GLY A 63 -3.786 10.278 4.288 1.00 0.00 C ATOM 1007 C GLY A 63 -2.559 9.946 3.422 1.00 0.00 C ATOM 1008 O GLY A 63 -2.441 8.828 2.918 1.00 0.00 O ATOM 0 H GLY A 63 -4.177 9.166 6.016 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.574 10.685 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -3.520 11.055 5.005 1.00 0.00 H new ATOM 1012 N PRO A 64 -1.610 10.883 3.253 1.00 0.00 N ATOM 1013 CA PRO A 64 -0.445 10.664 2.395 1.00 0.00 C ATOM 1014 C PRO A 64 0.371 9.439 2.823 1.00 0.00 C ATOM 1015 O PRO A 64 0.596 9.203 4.029 1.00 0.00 O ATOM 1016 CB PRO A 64 0.382 11.945 2.534 1.00 0.00 C ATOM 1017 CG PRO A 64 -0.153 12.635 3.744 1.00 0.00 C ATOM 1018 CD PRO A 64 -1.591 12.220 3.868 1.00 0.00 C ATOM 0 HA PRO A 64 -0.742 10.463 1.366 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.442 11.718 2.648 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.284 12.573 1.649 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.411 12.353 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -0.068 13.717 3.643 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.913 12.189 4.909 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -2.256 12.911 3.350 1.00 0.00 H new ATOM 1026 N ILE A 65 0.767 8.668 1.839 1.00 0.00 N ATOM 1027 CA ILE A 65 1.506 7.436 2.021 1.00 0.00 C ATOM 1028 C ILE A 65 2.844 7.701 2.661 1.00 0.00 C ATOM 1029 O ILE A 65 3.720 8.298 2.051 1.00 0.00 O ATOM 1030 CB ILE A 65 1.733 6.734 0.672 1.00 0.00 C ATOM 1031 CG1 ILE A 65 0.395 6.547 -0.027 1.00 0.00 C ATOM 1032 CG2 ILE A 65 2.432 5.392 0.889 1.00 0.00 C ATOM 1033 CD1 ILE A 65 0.486 6.032 -1.426 1.00 0.00 C ATOM 0 H ILE A 65 0.580 8.884 0.860 1.00 0.00 H new ATOM 0 HA ILE A 65 0.914 6.794 2.673 1.00 0.00 H new ATOM 0 HB ILE A 65 2.376 7.348 0.041 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.213 5.858 0.560 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.129 7.503 -0.040 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.588 4.903 -0.073 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.395 5.557 1.372 1.00 0.00 H new ATOM 0 HG23 ILE A 65 1.812 4.757 1.522 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.516 5.931 -1.842 1.00 0.00 H new ATOM 0 HD12 ILE A 65 1.063 6.729 -2.034 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.978 5.059 -1.424 1.00 0.00 H new ATOM 1045 N ASP A 66 2.972 7.280 3.883 1.00 0.00 N ATOM 1046 CA ASP A 66 4.189 7.450 4.634 1.00 0.00 C ATOM 1047 C ASP A 66 4.965 6.157 4.693 1.00 0.00 C ATOM 1048 O ASP A 66 4.487 5.147 5.213 1.00 0.00 O ATOM 1049 CB ASP A 66 3.880 7.940 6.037 1.00 0.00 C ATOM 1050 CG ASP A 66 5.110 7.986 6.915 1.00 0.00 C ATOM 1051 OD1 ASP A 66 6.044 8.732 6.610 1.00 0.00 O ATOM 1052 OD2 ASP A 66 5.169 7.237 7.909 1.00 0.00 O ATOM 0 H ASP A 66 2.230 6.804 4.396 1.00 0.00 H new ATOM 0 HA ASP A 66 4.801 8.197 4.128 1.00 0.00 H new ATOM 0 HB2 ASP A 66 3.438 8.935 5.982 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.136 7.286 6.492 1.00 0.00 H new ATOM 1057 N ASN A 67 6.146 6.185 4.159 1.00 0.00 N ATOM 1058 CA ASN A 67 7.029 5.028 4.139 1.00 0.00 C ATOM 1059 C ASN A 67 8.015 5.022 5.304 1.00 0.00 C ATOM 1060 O ASN A 67 8.987 4.252 5.301 1.00 0.00 O ATOM 1061 CB ASN A 67 7.804 4.974 2.826 1.00 0.00 C ATOM 1062 CG ASN A 67 6.958 4.574 1.642 1.00 0.00 C ATOM 1063 OD1 ASN A 67 6.343 5.398 0.995 1.00 0.00 O ATOM 1064 ND2 ASN A 67 6.948 3.304 1.341 1.00 0.00 N ATOM 0 H ASN A 67 6.542 7.014 3.716 1.00 0.00 H new ATOM 0 HA ASN A 67 6.392 4.149 4.236 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.245 5.952 2.633 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.628 4.268 2.929 1.00 0.00 H new ATOM 0 HD21 ASN A 67 6.411 2.974 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 67 7.477 2.641 1.908 1.00 0.00 H new ATOM 1071 N SER A 68 7.743 5.788 6.333 1.00 0.00 N ATOM 1072 CA SER A 68 8.665 5.893 7.459 1.00 0.00 C ATOM 1073 C SER A 68 8.564 4.703 8.440 1.00 0.00 C ATOM 1074 O SER A 68 8.942 4.829 9.594 1.00 0.00 O ATOM 1075 CB SER A 68 8.435 7.204 8.202 1.00 0.00 C ATOM 1076 OG SER A 68 8.502 8.303 7.309 1.00 0.00 O ATOM 0 H SER A 68 6.896 6.349 6.422 1.00 0.00 H new ATOM 0 HA SER A 68 9.672 5.871 7.043 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.461 7.185 8.691 1.00 0.00 H new ATOM 0 HB3 SER A 68 9.183 7.320 8.986 1.00 0.00 H new ATOM 0 HG SER A 68 7.603 8.668 7.171 1.00 0.00 H new ATOM 1082 N GLY A 69 8.099 3.540 7.982 1.00 0.00 N ATOM 1083 CA GLY A 69 8.094 2.395 8.867 1.00 0.00 C ATOM 1084 C GLY A 69 9.090 1.397 8.366 1.00 0.00 C ATOM 1085 O GLY A 69 9.637 0.575 9.111 1.00 0.00 O ATOM 0 H GLY A 69 7.737 3.376 7.043 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.344 2.701 9.883 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.099 1.950 8.904 1.00 0.00 H new ATOM 1089 N LEU A 70 9.370 1.547 7.098 1.00 0.00 N ATOM 1090 CA LEU A 70 10.179 0.658 6.336 1.00 0.00 C ATOM 1091 C LEU A 70 11.521 1.274 6.167 1.00 0.00 C ATOM 1092 O LEU A 70 12.555 0.600 6.206 1.00 0.00 O ATOM 1093 CB LEU A 70 9.570 0.514 4.951 1.00 0.00 C ATOM 1094 CG LEU A 70 8.056 0.365 4.846 1.00 0.00 C ATOM 1095 CD1 LEU A 70 7.473 -0.619 5.824 1.00 0.00 C ATOM 1096 CD2 LEU A 70 7.331 1.662 4.897 1.00 0.00 C ATOM 0 H LEU A 70 9.019 2.333 6.551 1.00 0.00 H new ATOM 0 HA LEU A 70 10.247 -0.308 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.861 1.387 4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.025 -0.355 4.475 1.00 0.00 H new ATOM 0 HG LEU A 70 7.900 -0.053 3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.393 -0.670 5.688 1.00 0.00 H new ATOM 0 HD12 LEU A 70 7.907 -1.604 5.652 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.696 -0.297 6.841 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.259 1.483 4.817 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.546 2.162 5.841 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.656 2.293 4.070 1.00 0.00 H new ATOM 1108 N LEU A 71 11.487 2.557 5.892 1.00 0.00 N ATOM 1109 CA LEU A 71 12.681 3.346 5.812 1.00 0.00 C ATOM 1110 C LEU A 71 13.322 3.419 7.179 1.00 0.00 C ATOM 1111 O LEU A 71 12.631 3.332 8.212 1.00 0.00 O ATOM 1112 CB LEU A 71 12.391 4.748 5.265 1.00 0.00 C ATOM 1113 CG LEU A 71 11.825 4.804 3.838 1.00 0.00 C ATOM 1114 CD1 LEU A 71 11.576 6.230 3.427 1.00 0.00 C ATOM 1115 CD2 LEU A 71 12.786 4.156 2.858 1.00 0.00 C ATOM 0 H LEU A 71 10.627 3.078 5.718 1.00 0.00 H new ATOM 0 HA LEU A 71 13.371 2.870 5.116 1.00 0.00 H new ATOM 0 HB2 LEU A 71 11.686 5.240 5.935 1.00 0.00 H new ATOM 0 HB3 LEU A 71 13.314 5.327 5.293 1.00 0.00 H new ATOM 0 HG LEU A 71 10.882 4.258 3.827 1.00 0.00 H new ATOM 0 HD11 LEU A 71 11.175 6.252 2.414 1.00 0.00 H new ATOM 0 HD12 LEU A 71 10.860 6.686 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 71 12.513 6.787 3.459 1.00 0.00 H new ATOM 0 HD21 LEU A 71 12.368 4.205 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 71 13.740 4.683 2.881 1.00 0.00 H new ATOM 0 HD23 LEU A 71 12.941 3.114 3.136 1.00 0.00 H new ATOM 1127 N LYS A 72 14.611 3.549 7.186 1.00 0.00 N ATOM 1128 CA LYS A 72 15.378 3.554 8.398 1.00 0.00 C ATOM 1129 C LYS A 72 15.224 4.868 9.149 1.00 0.00 C ATOM 1130 O LYS A 72 14.354 5.697 8.851 1.00 0.00 O ATOM 1131 CB LYS A 72 16.857 3.293 8.097 1.00 0.00 C ATOM 1132 CG LYS A 72 17.129 1.994 7.357 1.00 0.00 C ATOM 1133 CD LYS A 72 18.613 1.802 7.103 1.00 0.00 C ATOM 1134 CE LYS A 72 19.378 1.485 8.377 1.00 0.00 C ATOM 1135 NZ LYS A 72 20.833 1.372 8.137 1.00 0.00 N ATOM 0 H LYS A 72 15.171 3.656 6.340 1.00 0.00 H new ATOM 0 HA LYS A 72 14.996 2.755 9.033 1.00 0.00 H new ATOM 0 HB2 LYS A 72 17.246 4.122 7.506 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.410 3.284 9.036 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.746 1.155 7.938 1.00 0.00 H new ATOM 0 HG3 LYS A 72 16.593 1.995 6.408 1.00 0.00 H new ATOM 0 HD2 LYS A 72 18.755 0.994 6.385 1.00 0.00 H new ATOM 0 HD3 LYS A 72 19.022 2.705 6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 72 19.192 2.265 9.115 1.00 0.00 H new ATOM 0 HE3 LYS A 72 19.007 0.551 8.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 21.317 1.155 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 21.014 0.610 7.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 21.193 2.271 7.758 1.00 0.00 H new ATOM 1180 N ALA A 76 15.733 8.592 4.057 1.00 0.00 N ATOM 1181 CA ALA A 76 14.453 8.219 3.475 1.00 0.00 C ATOM 1182 C ALA A 76 14.665 7.455 2.186 1.00 0.00 C ATOM 1183 O ALA A 76 13.766 7.295 1.369 1.00 0.00 O ATOM 1184 CB ALA A 76 13.644 9.442 3.177 1.00 0.00 C ATOM 0 HA ALA A 76 13.924 7.592 4.193 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.689 9.149 2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.468 9.996 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 76 14.185 10.073 2.472 1.00 0.00 H new ATOM 1190 N GLN A 77 15.860 7.035 1.987 1.00 0.00 N ATOM 1191 CA GLN A 77 16.228 6.291 0.800 1.00 0.00 C ATOM 1192 C GLN A 77 16.747 4.969 1.219 1.00 0.00 C ATOM 1193 O GLN A 77 17.238 4.177 0.412 1.00 0.00 O ATOM 1194 CB GLN A 77 17.323 7.044 0.112 1.00 0.00 C ATOM 1195 CG GLN A 77 16.923 8.442 -0.192 1.00 0.00 C ATOM 1196 CD GLN A 77 16.047 8.547 -1.402 1.00 0.00 C ATOM 1197 OE1 GLN A 77 16.533 8.699 -2.527 1.00 0.00 O ATOM 1198 NE2 GLN A 77 14.767 8.433 -1.205 1.00 0.00 N ATOM 0 H GLN A 77 16.630 7.190 2.638 1.00 0.00 H new ATOM 0 HA GLN A 77 15.373 6.163 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 77 18.212 7.049 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 77 17.590 6.533 -0.813 1.00 0.00 H new ATOM 0 HG2 GLN A 77 16.399 8.860 0.667 1.00 0.00 H new ATOM 0 HG3 GLN A 77 17.818 9.046 -0.344 1.00 0.00 H new ATOM 0 HE21 GLN A 77 14.406 8.309 -0.259 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.124 8.468 -1.996 1.00 0.00 H new ATOM 1207 N SER A 78 16.646 4.735 2.474 1.00 0.00 N ATOM 1208 CA SER A 78 17.222 3.555 3.045 1.00 0.00 C ATOM 1209 C SER A 78 16.195 2.661 3.700 1.00 0.00 C ATOM 1210 O SER A 78 15.463 3.093 4.579 1.00 0.00 O ATOM 1211 CB SER A 78 18.297 3.953 4.027 1.00 0.00 C ATOM 1212 OG SER A 78 19.316 4.696 3.372 1.00 0.00 O ATOM 0 H SER A 78 16.168 5.344 3.138 1.00 0.00 H new ATOM 0 HA SER A 78 17.659 2.969 2.236 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.863 4.549 4.830 1.00 0.00 H new ATOM 0 HB3 SER A 78 18.726 3.063 4.487 1.00 0.00 H new ATOM 0 HG SER A 78 20.005 4.949 4.021 1.00 0.00 H new ATOM 1218 N LEU A 79 16.159 1.424 3.270 1.00 0.00 N ATOM 1219 CA LEU A 79 15.264 0.433 3.822 1.00 0.00 C ATOM 1220 C LEU A 79 15.942 -0.325 4.946 1.00 0.00 C ATOM 1221 O LEU A 79 17.172 -0.458 4.959 1.00 0.00 O ATOM 1222 CB LEU A 79 14.818 -0.541 2.740 1.00 0.00 C ATOM 1223 CG LEU A 79 13.863 0.013 1.687 1.00 0.00 C ATOM 1224 CD1 LEU A 79 13.634 -1.033 0.622 1.00 0.00 C ATOM 1225 CD2 LEU A 79 12.529 0.391 2.325 1.00 0.00 C ATOM 0 H LEU A 79 16.755 1.072 2.521 1.00 0.00 H new ATOM 0 HA LEU A 79 14.389 0.947 4.219 1.00 0.00 H new ATOM 0 HB2 LEU A 79 15.705 -0.919 2.233 1.00 0.00 H new ATOM 0 HB3 LEU A 79 14.339 -1.393 3.222 1.00 0.00 H new ATOM 0 HG LEU A 79 14.304 0.905 1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.952 -0.641 -0.132 1.00 0.00 H new ATOM 0 HD12 LEU A 79 14.584 -1.290 0.154 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.200 -1.925 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 79 11.859 0.785 1.561 1.00 0.00 H new ATOM 0 HD22 LEU A 79 12.081 -0.492 2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 79 12.693 1.150 3.089 1.00 0.00 H new ATOM 1237 N LYS A 80 15.156 -0.776 5.895 1.00 0.00 N ATOM 1238 CA LYS A 80 15.648 -1.557 7.021 1.00 0.00 C ATOM 1239 C LYS A 80 16.068 -2.952 6.580 1.00 0.00 C ATOM 1240 O LYS A 80 15.528 -3.505 5.620 1.00 0.00 O ATOM 1241 CB LYS A 80 14.583 -1.658 8.103 1.00 0.00 C ATOM 1242 CG LYS A 80 14.236 -0.349 8.747 1.00 0.00 C ATOM 1243 CD LYS A 80 13.093 -0.520 9.715 1.00 0.00 C ATOM 1244 CE LYS A 80 12.747 0.794 10.347 1.00 0.00 C ATOM 1245 NZ LYS A 80 11.589 0.688 11.246 1.00 0.00 N ATOM 0 H LYS A 80 14.149 -0.614 5.914 1.00 0.00 H new ATOM 0 HA LYS A 80 16.522 -1.045 7.425 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.680 -2.088 7.669 1.00 0.00 H new ATOM 0 HB3 LYS A 80 14.927 -2.349 8.873 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.106 0.047 9.270 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.966 0.379 7.982 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.223 -0.921 9.195 1.00 0.00 H new ATOM 0 HD3 LYS A 80 13.365 -1.242 10.485 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.606 1.164 10.906 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.534 1.526 9.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.557 1.519 11.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 10.715 0.645 10.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 11.674 -0.175 11.821 1.00 0.00 H new ATOM 1259 N GLU A 81 17.002 -3.519 7.291 1.00 0.00 N ATOM 1260 CA GLU A 81 17.543 -4.833 6.960 1.00 0.00 C ATOM 1261 C GLU A 81 16.602 -5.962 7.395 1.00 0.00 C ATOM 1262 O GLU A 81 16.617 -7.055 6.833 1.00 0.00 O ATOM 1263 CB GLU A 81 18.907 -4.996 7.623 1.00 0.00 C ATOM 1264 CG GLU A 81 19.905 -3.948 7.179 1.00 0.00 C ATOM 1265 CD GLU A 81 21.189 -3.991 7.950 1.00 0.00 C ATOM 1266 OE1 GLU A 81 21.279 -3.338 8.999 1.00 0.00 O ATOM 1267 OE2 GLU A 81 22.151 -4.653 7.501 1.00 0.00 O ATOM 0 H GLU A 81 17.418 -3.093 8.119 1.00 0.00 H new ATOM 0 HA GLU A 81 17.647 -4.898 5.877 1.00 0.00 H new ATOM 0 HB2 GLU A 81 18.788 -4.943 8.705 1.00 0.00 H new ATOM 0 HB3 GLU A 81 19.301 -5.986 7.394 1.00 0.00 H new ATOM 0 HG2 GLU A 81 20.120 -4.086 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 81 19.457 -2.960 7.287 1.00 0.00 H new ATOM 1274 N HIS A 82 15.758 -5.682 8.368 1.00 0.00 N ATOM 1275 CA HIS A 82 14.869 -6.709 8.933 1.00 0.00 C ATOM 1276 C HIS A 82 13.541 -6.817 8.181 1.00 0.00 C ATOM 1277 O HIS A 82 12.684 -7.591 8.571 1.00 0.00 O ATOM 1278 CB HIS A 82 14.581 -6.435 10.427 1.00 0.00 C ATOM 1279 CG HIS A 82 15.795 -6.442 11.316 1.00 0.00 C ATOM 1280 ND1 HIS A 82 15.939 -5.615 12.410 1.00 0.00 N ATOM 1281 CD2 HIS A 82 16.919 -7.187 11.270 1.00 0.00 C ATOM 1282 CE1 HIS A 82 17.100 -5.852 12.986 1.00 0.00 C ATOM 1283 NE2 HIS A 82 17.713 -6.802 12.312 1.00 0.00 N ATOM 0 H HIS A 82 15.660 -4.759 8.791 1.00 0.00 H new ATOM 0 HA HIS A 82 15.398 -7.656 8.826 1.00 0.00 H new ATOM 0 HB2 HIS A 82 14.089 -5.467 10.516 1.00 0.00 H new ATOM 0 HB3 HIS A 82 13.878 -7.184 10.790 1.00 0.00 H new ATOM 0 HD2 HIS A 82 17.149 -7.950 10.541 1.00 0.00 H new ATOM 0 HE1 HIS A 82 17.484 -5.352 13.863 1.00 0.00 H new ATOM 0 HE2 HIS A 82 18.631 -7.188 12.532 1.00 0.00 H new ATOM 1292 N LEU A 83 13.397 -6.078 7.100 1.00 0.00 N ATOM 1293 CA LEU A 83 12.116 -6.002 6.378 1.00 0.00 C ATOM 1294 C LEU A 83 11.676 -7.316 5.725 1.00 0.00 C ATOM 1295 O LEU A 83 12.470 -8.010 5.073 1.00 0.00 O ATOM 1296 CB LEU A 83 12.149 -4.918 5.314 1.00 0.00 C ATOM 1297 CG LEU A 83 12.335 -3.486 5.789 1.00 0.00 C ATOM 1298 CD1 LEU A 83 12.422 -2.564 4.596 1.00 0.00 C ATOM 1299 CD2 LEU A 83 11.193 -3.056 6.688 1.00 0.00 C ATOM 0 H LEU A 83 14.144 -5.516 6.691 1.00 0.00 H new ATOM 0 HA LEU A 83 11.383 -5.765 7.149 1.00 0.00 H new ATOM 0 HB2 LEU A 83 12.955 -5.151 4.619 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.217 -4.969 4.750 1.00 0.00 H new ATOM 0 HG LEU A 83 13.259 -3.432 6.364 1.00 0.00 H new ATOM 0 HD11 LEU A 83 12.555 -1.538 4.938 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.270 -2.852 3.974 1.00 0.00 H new ATOM 0 HD13 LEU A 83 11.504 -2.636 4.013 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.353 -2.028 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.253 -3.122 6.139 1.00 0.00 H new ATOM 0 HD23 LEU A 83 11.150 -3.709 7.560 1.00 0.00 H new ATOM 1311 N ILE A 84 10.422 -7.635 5.936 1.00 0.00 N ATOM 1312 CA ILE A 84 9.702 -8.732 5.306 1.00 0.00 C ATOM 1313 C ILE A 84 8.609 -8.056 4.459 1.00 0.00 C ATOM 1314 O ILE A 84 8.556 -6.829 4.429 1.00 0.00 O ATOM 1315 CB ILE A 84 9.089 -9.677 6.423 1.00 0.00 C ATOM 1316 CG1 ILE A 84 10.175 -10.148 7.411 1.00 0.00 C ATOM 1317 CG2 ILE A 84 8.364 -10.891 5.848 1.00 0.00 C ATOM 1318 CD1 ILE A 84 11.296 -10.964 6.785 1.00 0.00 C ATOM 0 H ILE A 84 9.838 -7.111 6.587 1.00 0.00 H new ATOM 0 HA ILE A 84 10.338 -9.363 4.686 1.00 0.00 H new ATOM 0 HB ILE A 84 8.351 -9.072 6.950 1.00 0.00 H new ATOM 0 HG12 ILE A 84 10.608 -9.274 7.897 1.00 0.00 H new ATOM 0 HG13 ILE A 84 9.702 -10.744 8.191 1.00 0.00 H new ATOM 0 HG21 ILE A 84 7.968 -11.497 6.662 1.00 0.00 H new ATOM 0 HG22 ILE A 84 7.544 -10.558 5.212 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.062 -11.486 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.012 -11.250 7.556 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.880 -11.860 6.325 1.00 0.00 H new ATOM 0 HD13 ILE A 84 11.800 -10.367 6.025 1.00 0.00 H new ATOM 1330 N ASP A 85 7.776 -8.823 3.782 1.00 0.00 N ATOM 1331 CA ASP A 85 6.710 -8.311 2.900 1.00 0.00 C ATOM 1332 C ASP A 85 5.553 -7.672 3.747 1.00 0.00 C ATOM 1333 O ASP A 85 5.864 -6.931 4.644 1.00 0.00 O ATOM 1334 CB ASP A 85 6.282 -9.455 1.974 1.00 0.00 C ATOM 1335 CG ASP A 85 5.172 -9.126 0.977 1.00 0.00 C ATOM 1336 OD1 ASP A 85 5.463 -8.597 -0.112 1.00 0.00 O ATOM 1337 OD2 ASP A 85 3.989 -9.411 1.274 1.00 0.00 O ATOM 0 H ASP A 85 7.811 -9.842 3.821 1.00 0.00 H new ATOM 0 HA ASP A 85 7.059 -7.496 2.266 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.156 -9.792 1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 85 5.954 -10.292 2.590 1.00 0.00 H new ATOM 1342 N GLU A 86 4.236 -7.946 3.472 1.00 0.00 N ATOM 1343 CA GLU A 86 3.055 -7.296 4.152 1.00 0.00 C ATOM 1344 C GLU A 86 3.132 -7.186 5.674 1.00 0.00 C ATOM 1345 O GLU A 86 2.394 -6.409 6.299 1.00 0.00 O ATOM 1346 CB GLU A 86 1.728 -7.887 3.676 1.00 0.00 C ATOM 1347 CG GLU A 86 1.480 -9.353 3.995 1.00 0.00 C ATOM 1348 CD GLU A 86 1.016 -9.595 5.411 1.00 0.00 C ATOM 1349 OE1 GLU A 86 0.244 -8.758 5.959 1.00 0.00 O ATOM 1350 OE2 GLU A 86 1.361 -10.638 5.980 1.00 0.00 O ATOM 0 H GLU A 86 3.959 -8.629 2.767 1.00 0.00 H new ATOM 0 HA GLU A 86 3.104 -6.257 3.825 1.00 0.00 H new ATOM 0 HB2 GLU A 86 0.919 -7.302 4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.666 -7.759 2.595 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.733 -9.745 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.398 -9.914 3.822 1.00 0.00 H new ATOM 1357 N LEU A 87 3.972 -7.979 6.241 1.00 0.00 N ATOM 1358 CA LEU A 87 4.302 -7.923 7.642 1.00 0.00 C ATOM 1359 C LEU A 87 4.882 -6.549 7.974 1.00 0.00 C ATOM 1360 O LEU A 87 4.447 -5.871 8.899 1.00 0.00 O ATOM 1361 CB LEU A 87 5.363 -8.967 7.941 1.00 0.00 C ATOM 1362 CG LEU A 87 4.988 -10.417 7.690 1.00 0.00 C ATOM 1363 CD1 LEU A 87 6.023 -11.331 8.316 1.00 0.00 C ATOM 1364 CD2 LEU A 87 3.604 -10.741 8.229 1.00 0.00 C ATOM 0 H LEU A 87 4.470 -8.712 5.736 1.00 0.00 H new ATOM 0 HA LEU A 87 3.404 -8.106 8.232 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.245 -8.736 7.343 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.652 -8.867 8.987 1.00 0.00 H new ATOM 0 HG LEU A 87 4.966 -10.577 6.612 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.749 -12.370 8.133 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.000 -11.130 7.876 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.065 -11.151 9.390 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.372 -11.787 8.030 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.581 -10.562 9.304 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.865 -10.106 7.740 1.00 0.00 H new ATOM 1376 N ASP A 88 5.845 -6.159 7.188 1.00 0.00 N ATOM 1377 CA ASP A 88 6.549 -4.895 7.361 1.00 0.00 C ATOM 1378 C ASP A 88 6.061 -3.865 6.397 1.00 0.00 C ATOM 1379 O ASP A 88 5.710 -2.764 6.802 1.00 0.00 O ATOM 1380 CB ASP A 88 8.056 -5.043 7.175 1.00 0.00 C ATOM 1381 CG ASP A 88 8.713 -5.850 8.251 1.00 0.00 C ATOM 1382 OD1 ASP A 88 8.741 -7.077 8.154 1.00 0.00 O ATOM 1383 OD2 ASP A 88 9.230 -5.269 9.217 1.00 0.00 O ATOM 0 H ASP A 88 6.177 -6.709 6.395 1.00 0.00 H new ATOM 0 HA ASP A 88 6.344 -4.578 8.384 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.251 -5.511 6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.510 -4.052 7.146 1.00 0.00 H new ATOM 1388 N TYR A 89 6.000 -4.219 5.135 1.00 0.00 N ATOM 1389 CA TYR A 89 5.644 -3.289 4.067 1.00 0.00 C ATOM 1390 C TYR A 89 4.777 -3.957 3.040 1.00 0.00 C ATOM 1391 O TYR A 89 4.413 -5.047 3.219 1.00 0.00 O ATOM 1392 CB TYR A 89 6.909 -2.792 3.407 1.00 0.00 C ATOM 1393 CG TYR A 89 7.875 -3.851 2.835 1.00 0.00 C ATOM 1394 CD1 TYR A 89 7.455 -4.841 1.938 1.00 0.00 C ATOM 1395 CD2 TYR A 89 9.202 -3.780 3.128 1.00 0.00 C ATOM 1396 CE1 TYR A 89 8.337 -5.719 1.356 1.00 0.00 C ATOM 1397 CE2 TYR A 89 10.113 -4.668 2.558 1.00 0.00 C ATOM 1398 CZ TYR A 89 9.670 -5.631 1.668 1.00 0.00 C ATOM 1399 OH TYR A 89 10.571 -6.490 1.072 1.00 0.00 O ATOM 0 H TYR A 89 6.196 -5.165 4.809 1.00 0.00 H new ATOM 0 HA TYR A 89 5.088 -2.457 4.498 1.00 0.00 H new ATOM 0 HB2 TYR A 89 6.625 -2.122 2.595 1.00 0.00 H new ATOM 0 HB3 TYR A 89 7.457 -2.195 4.136 1.00 0.00 H new ATOM 0 HD1 TYR A 89 6.405 -4.917 1.696 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.555 -3.024 3.813 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.986 -6.468 0.662 1.00 0.00 H new ATOM 0 HE2 TYR A 89 11.161 -4.605 2.810 1.00 0.00 H new ATOM 0 HH TYR A 89 11.474 -6.296 1.400 1.00 0.00 H new ATOM 1409 N ILE A 90 4.435 -3.287 1.965 1.00 0.00 N ATOM 1410 CA ILE A 90 3.733 -3.933 0.893 1.00 0.00 C ATOM 1411 C ILE A 90 4.224 -3.409 -0.408 1.00 0.00 C ATOM 1412 O ILE A 90 4.561 -2.237 -0.526 1.00 0.00 O ATOM 1413 CB ILE A 90 2.215 -3.739 0.945 1.00 0.00 C ATOM 1414 CG1 ILE A 90 1.665 -4.025 2.314 1.00 0.00 C ATOM 1415 CG2 ILE A 90 1.542 -4.620 -0.064 1.00 0.00 C ATOM 1416 CD1 ILE A 90 0.201 -4.116 2.334 1.00 0.00 C ATOM 0 H ILE A 90 4.633 -2.298 1.814 1.00 0.00 H new ATOM 0 HA ILE A 90 3.930 -5.000 1.001 1.00 0.00 H new ATOM 0 HB ILE A 90 2.011 -2.694 0.710 1.00 0.00 H new ATOM 0 HG12 ILE A 90 2.087 -4.960 2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.985 -3.240 3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 90 0.463 -4.471 -0.015 1.00 0.00 H new ATOM 0 HG22 ILE A 90 1.898 -4.368 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 90 1.774 -5.663 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.137 -4.324 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -0.227 -3.172 1.995 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -0.123 -4.919 1.672 1.00 0.00 H new ATOM 1428 N LEU A 91 4.245 -4.270 -1.358 1.00 0.00 N ATOM 1429 CA LEU A 91 4.676 -3.975 -2.662 1.00 0.00 C ATOM 1430 C LEU A 91 3.544 -3.968 -3.632 1.00 0.00 C ATOM 1431 O LEU A 91 2.682 -4.847 -3.637 1.00 0.00 O ATOM 1432 CB LEU A 91 5.812 -4.885 -3.071 1.00 0.00 C ATOM 1433 CG LEU A 91 7.117 -4.519 -2.404 1.00 0.00 C ATOM 1434 CD1 LEU A 91 8.163 -5.477 -2.668 1.00 0.00 C ATOM 1435 CD2 LEU A 91 7.587 -3.225 -2.902 1.00 0.00 C ATOM 0 H LEU A 91 3.949 -5.238 -1.236 1.00 0.00 H new ATOM 0 HA LEU A 91 5.072 -2.960 -2.671 1.00 0.00 H new ATOM 0 HB2 LEU A 91 5.556 -5.915 -2.821 1.00 0.00 H new ATOM 0 HB3 LEU A 91 5.936 -4.841 -4.153 1.00 0.00 H new ATOM 0 HG LEU A 91 6.915 -4.494 -1.333 1.00 0.00 H new ATOM 0 HD11 LEU A 91 9.078 -5.165 -2.165 1.00 0.00 H new ATOM 0 HD12 LEU A 91 7.861 -6.457 -2.297 1.00 0.00 H new ATOM 0 HD13 LEU A 91 8.341 -5.535 -3.742 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.528 -2.968 -2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 91 7.739 -3.283 -3.980 1.00 0.00 H new ATOM 0 HD23 LEU A 91 6.844 -2.459 -2.681 1.00 0.00 H new ATOM 1447 N LEU A 92 3.548 -2.954 -4.417 1.00 0.00 N ATOM 1448 CA LEU A 92 2.531 -2.697 -5.406 1.00 0.00 C ATOM 1449 C LEU A 92 3.225 -2.574 -6.722 1.00 0.00 C ATOM 1450 O LEU A 92 4.378 -2.186 -6.758 1.00 0.00 O ATOM 1451 CB LEU A 92 1.823 -1.323 -5.186 1.00 0.00 C ATOM 1452 CG LEU A 92 1.048 -1.031 -3.891 1.00 0.00 C ATOM 1453 CD1 LEU A 92 -0.141 -1.918 -3.685 1.00 0.00 C ATOM 1454 CD2 LEU A 92 1.937 -1.042 -2.722 1.00 0.00 C ATOM 0 H LEU A 92 4.281 -2.245 -4.399 1.00 0.00 H new ATOM 0 HA LEU A 92 1.797 -3.500 -5.350 1.00 0.00 H new ATOM 0 HB2 LEU A 92 2.587 -0.551 -5.282 1.00 0.00 H new ATOM 0 HB3 LEU A 92 1.126 -1.187 -6.013 1.00 0.00 H new ATOM 0 HG LEU A 92 0.646 -0.025 -4.007 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.636 -1.652 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.837 -1.791 -4.514 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.184 -2.957 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 92 1.358 -0.832 -1.823 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.406 -2.022 -2.631 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.707 -0.280 -2.844 1.00 0.00 H new ATOM 1466 N PRO A 93 2.575 -2.905 -7.813 1.00 0.00 N ATOM 1467 CA PRO A 93 3.096 -2.620 -9.128 1.00 0.00 C ATOM 1468 C PRO A 93 3.141 -1.122 -9.329 1.00 0.00 C ATOM 1469 O PRO A 93 2.587 -0.364 -8.501 1.00 0.00 O ATOM 1470 CB PRO A 93 2.066 -3.191 -10.082 1.00 0.00 C ATOM 1471 CG PRO A 93 0.874 -3.456 -9.289 1.00 0.00 C ATOM 1472 CD PRO A 93 1.305 -3.623 -7.865 1.00 0.00 C ATOM 0 HA PRO A 93 4.095 -3.031 -9.275 1.00 0.00 H new ATOM 0 HB2 PRO A 93 1.849 -2.488 -10.886 1.00 0.00 H new ATOM 0 HB3 PRO A 93 2.433 -4.105 -10.549 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.163 -2.635 -9.380 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.370 -4.355 -9.644 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.576 -3.202 -7.172 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.426 -4.674 -7.602 1.00 0.00 H new ATOM 1480 N THR A 94 3.793 -0.690 -10.386 1.00 0.00 N ATOM 1481 CA THR A 94 3.821 0.706 -10.766 1.00 0.00 C ATOM 1482 C THR A 94 2.418 1.350 -10.660 1.00 0.00 C ATOM 1483 O THR A 94 2.242 2.397 -10.028 1.00 0.00 O ATOM 1484 CB THR A 94 4.337 0.836 -12.210 1.00 0.00 C ATOM 1485 OG1 THR A 94 5.734 0.506 -12.289 1.00 0.00 O ATOM 1486 CG2 THR A 94 4.050 2.210 -12.773 1.00 0.00 C ATOM 0 H THR A 94 4.322 -1.300 -11.010 1.00 0.00 H new ATOM 0 HA THR A 94 4.488 1.230 -10.081 1.00 0.00 H new ATOM 0 HB THR A 94 3.797 0.118 -12.827 1.00 0.00 H new ATOM 0 HG1 THR A 94 6.039 0.594 -13.216 1.00 0.00 H new ATOM 0 HG21 THR A 94 4.426 2.271 -13.794 1.00 0.00 H new ATOM 0 HG22 THR A 94 2.974 2.386 -12.772 1.00 0.00 H new ATOM 0 HG23 THR A 94 4.542 2.965 -12.159 1.00 0.00 H new ATOM 1494 N GLU A 95 1.442 0.677 -11.215 1.00 0.00 N ATOM 1495 CA GLU A 95 0.088 1.167 -11.264 1.00 0.00 C ATOM 1496 C GLU A 95 -0.551 1.127 -9.917 1.00 0.00 C ATOM 1497 O GLU A 95 -1.355 1.973 -9.605 1.00 0.00 O ATOM 1498 CB GLU A 95 -0.693 0.311 -12.181 1.00 0.00 C ATOM 1499 CG GLU A 95 -0.051 0.191 -13.524 1.00 0.00 C ATOM 1500 CD GLU A 95 0.098 1.516 -14.209 1.00 0.00 C ATOM 1501 OE1 GLU A 95 -0.929 2.120 -14.574 1.00 0.00 O ATOM 1502 OE2 GLU A 95 1.238 1.977 -14.384 1.00 0.00 O ATOM 0 H GLU A 95 1.567 -0.237 -11.650 1.00 0.00 H new ATOM 0 HA GLU A 95 0.107 2.201 -11.610 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.804 -0.681 -11.743 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.696 0.723 -12.295 1.00 0.00 H new ATOM 0 HG2 GLU A 95 0.931 -0.270 -13.414 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.647 -0.473 -14.150 1.00 0.00 H new ATOM 1509 N GLY A 96 -0.198 0.117 -9.139 1.00 0.00 N ATOM 1510 CA GLY A 96 -0.718 -0.024 -7.825 1.00 0.00 C ATOM 1511 C GLY A 96 -0.425 1.197 -7.029 1.00 0.00 C ATOM 1512 O GLY A 96 -1.325 1.926 -6.640 1.00 0.00 O ATOM 0 H GLY A 96 0.455 -0.616 -9.416 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -1.794 -0.191 -7.867 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -0.278 -0.897 -7.343 1.00 0.00 H new ATOM 1516 N TRP A 97 0.855 1.436 -6.865 1.00 0.00 N ATOM 1517 CA TRP A 97 1.396 2.589 -6.205 1.00 0.00 C ATOM 1518 C TRP A 97 0.777 3.865 -6.778 1.00 0.00 C ATOM 1519 O TRP A 97 0.279 4.691 -6.027 1.00 0.00 O ATOM 1520 CB TRP A 97 2.878 2.565 -6.478 1.00 0.00 C ATOM 1521 CG TRP A 97 3.636 3.784 -6.109 1.00 0.00 C ATOM 1522 CD1 TRP A 97 4.135 4.708 -6.964 1.00 0.00 C ATOM 1523 CD2 TRP A 97 3.997 4.197 -4.808 1.00 0.00 C ATOM 1524 NE1 TRP A 97 4.800 5.676 -6.270 1.00 0.00 N ATOM 1525 CE2 TRP A 97 4.725 5.386 -4.933 1.00 0.00 C ATOM 1526 CE3 TRP A 97 3.771 3.676 -3.551 1.00 0.00 C ATOM 1527 CZ2 TRP A 97 5.232 6.060 -3.832 1.00 0.00 C ATOM 1528 CZ3 TRP A 97 4.267 4.338 -2.467 1.00 0.00 C ATOM 1529 CH2 TRP A 97 4.990 5.520 -2.603 1.00 0.00 C ATOM 0 H TRP A 97 1.576 0.800 -7.206 1.00 0.00 H new ATOM 0 HA TRP A 97 1.184 2.574 -5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 97 3.310 1.719 -5.943 1.00 0.00 H new ATOM 0 HB3 TRP A 97 3.026 2.379 -7.542 1.00 0.00 H new ATOM 0 HD1 TRP A 97 4.023 4.682 -8.038 1.00 0.00 H new ATOM 0 HE1 TRP A 97 5.274 6.482 -6.678 1.00 0.00 H new ATOM 0 HE3 TRP A 97 3.211 2.761 -3.428 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 5.795 6.975 -3.943 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 4.095 3.936 -1.480 1.00 0.00 H new ATOM 0 HH2 TRP A 97 5.365 6.018 -1.721 1.00 0.00 H new ATOM 1540 N ASN A 98 0.810 3.999 -8.123 1.00 0.00 N ATOM 1541 CA ASN A 98 0.201 5.139 -8.821 1.00 0.00 C ATOM 1542 C ASN A 98 -1.210 5.410 -8.380 1.00 0.00 C ATOM 1543 O ASN A 98 -1.593 6.554 -8.254 1.00 0.00 O ATOM 1544 CB ASN A 98 0.224 4.993 -10.346 1.00 0.00 C ATOM 1545 CG ASN A 98 1.432 5.629 -10.996 1.00 0.00 C ATOM 1546 OD1 ASN A 98 1.407 6.808 -11.349 1.00 0.00 O ATOM 1547 ND2 ASN A 98 2.476 4.881 -11.161 1.00 0.00 N ATOM 0 H ASN A 98 1.256 3.324 -8.744 1.00 0.00 H new ATOM 0 HA ASN A 98 0.826 5.987 -8.543 1.00 0.00 H new ATOM 0 HB2 ASN A 98 0.200 3.934 -10.602 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.679 5.442 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.315 5.265 -11.596 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.460 3.908 -10.856 1.00 0.00 H new ATOM 1554 N LYS A 99 -1.983 4.365 -8.110 1.00 0.00 N ATOM 1555 CA LYS A 99 -3.325 4.535 -7.692 1.00 0.00 C ATOM 1556 C LYS A 99 -3.372 5.048 -6.298 1.00 0.00 C ATOM 1557 O LYS A 99 -3.970 6.078 -6.061 1.00 0.00 O ATOM 1558 CB LYS A 99 -4.051 3.244 -7.843 1.00 0.00 C ATOM 1559 CG LYS A 99 -4.260 2.908 -9.284 1.00 0.00 C ATOM 1560 CD LYS A 99 -4.717 1.507 -9.473 1.00 0.00 C ATOM 1561 CE LYS A 99 -4.676 1.160 -10.932 1.00 0.00 C ATOM 1562 NZ LYS A 99 -5.648 1.947 -11.706 1.00 0.00 N ATOM 0 H LYS A 99 -1.679 3.394 -8.181 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.820 5.277 -8.318 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -3.486 2.447 -7.359 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -5.015 3.304 -7.337 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.996 3.589 -9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -3.329 3.061 -9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -4.080 0.826 -8.908 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.730 1.389 -9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -3.673 1.337 -11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -4.884 0.098 -11.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -5.651 1.621 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.597 1.825 -11.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -5.385 2.953 -11.674 1.00 0.00 H new ATOM 1576 N LEU A 100 -2.672 4.389 -5.391 1.00 0.00 N ATOM 1577 CA LEU A 100 -2.639 4.825 -4.004 1.00 0.00 C ATOM 1578 C LEU A 100 -2.145 6.273 -3.881 1.00 0.00 C ATOM 1579 O LEU A 100 -2.698 7.078 -3.128 1.00 0.00 O ATOM 1580 CB LEU A 100 -1.818 3.857 -3.126 1.00 0.00 C ATOM 1581 CG LEU A 100 -2.438 2.470 -2.855 1.00 0.00 C ATOM 1582 CD1 LEU A 100 -3.937 2.517 -2.905 1.00 0.00 C ATOM 1583 CD2 LEU A 100 -1.911 1.426 -3.781 1.00 0.00 C ATOM 0 H LEU A 100 -2.121 3.554 -5.588 1.00 0.00 H new ATOM 0 HA LEU A 100 -3.662 4.805 -3.629 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -0.847 3.709 -3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -1.634 4.341 -2.167 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.141 2.190 -1.844 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -4.339 1.523 -2.710 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.305 3.212 -2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.258 2.851 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -2.377 0.468 -3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -2.140 1.703 -4.810 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.831 1.343 -3.659 1.00 0.00 H new ATOM 1595 N VAL A 101 -1.166 6.605 -4.680 1.00 0.00 N ATOM 1596 CA VAL A 101 -0.613 7.914 -4.739 1.00 0.00 C ATOM 1597 C VAL A 101 -1.579 8.917 -5.425 1.00 0.00 C ATOM 1598 O VAL A 101 -1.626 10.071 -5.065 1.00 0.00 O ATOM 1599 CB VAL A 101 0.755 7.857 -5.460 1.00 0.00 C ATOM 1600 CG1 VAL A 101 1.256 9.217 -5.780 1.00 0.00 C ATOM 1601 CG2 VAL A 101 1.765 7.154 -4.592 1.00 0.00 C ATOM 0 H VAL A 101 -0.725 5.947 -5.322 1.00 0.00 H new ATOM 0 HA VAL A 101 -0.464 8.279 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 101 0.615 7.309 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.219 9.141 -6.286 1.00 0.00 H new ATOM 0 HG12 VAL A 101 0.543 9.723 -6.431 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.375 9.787 -4.859 1.00 0.00 H new ATOM 0 HG21 VAL A 101 2.725 7.118 -5.107 1.00 0.00 H new ATOM 0 HG22 VAL A 101 1.877 7.695 -3.653 1.00 0.00 H new ATOM 0 HG23 VAL A 101 1.425 6.139 -4.387 1.00 0.00 H new ATOM 1611 N SER A 102 -2.378 8.469 -6.346 1.00 0.00 N ATOM 1612 CA SER A 102 -3.251 9.370 -7.039 1.00 0.00 C ATOM 1613 C SER A 102 -4.503 9.608 -6.181 1.00 0.00 C ATOM 1614 O SER A 102 -5.179 10.646 -6.292 1.00 0.00 O ATOM 1615 CB SER A 102 -3.616 8.785 -8.411 1.00 0.00 C ATOM 1616 OG SER A 102 -4.141 9.766 -9.309 1.00 0.00 O ATOM 0 H SER A 102 -2.444 7.493 -6.634 1.00 0.00 H new ATOM 0 HA SER A 102 -2.755 10.326 -7.205 1.00 0.00 H new ATOM 0 HB2 SER A 102 -2.730 8.330 -8.854 1.00 0.00 H new ATOM 0 HB3 SER A 102 -4.350 7.990 -8.279 1.00 0.00 H new ATOM 0 HG SER A 102 -4.355 9.343 -10.167 1.00 0.00 H new ATOM 1622 N TRP A 103 -4.798 8.643 -5.326 1.00 0.00 N ATOM 1623 CA TRP A 103 -5.917 8.714 -4.446 1.00 0.00 C ATOM 1624 C TRP A 103 -5.588 9.501 -3.182 1.00 0.00 C ATOM 1625 O TRP A 103 -6.359 10.362 -2.785 1.00 0.00 O ATOM 1626 CB TRP A 103 -6.418 7.302 -4.088 1.00 0.00 C ATOM 1627 CG TRP A 103 -6.853 6.470 -5.282 1.00 0.00 C ATOM 1628 CD1 TRP A 103 -7.243 6.921 -6.510 1.00 0.00 C ATOM 1629 CD2 TRP A 103 -6.924 5.047 -5.349 1.00 0.00 C ATOM 1630 NE1 TRP A 103 -7.591 5.875 -7.315 1.00 0.00 N ATOM 1631 CE2 TRP A 103 -7.383 4.708 -6.638 1.00 0.00 C ATOM 1632 CE3 TRP A 103 -6.645 4.031 -4.448 1.00 0.00 C ATOM 1633 CZ2 TRP A 103 -7.568 3.385 -7.040 1.00 0.00 C ATOM 1634 CZ3 TRP A 103 -6.820 2.728 -4.844 1.00 0.00 C ATOM 1635 CH2 TRP A 103 -7.277 2.414 -6.133 1.00 0.00 C ATOM 0 H TRP A 103 -4.252 7.786 -5.234 1.00 0.00 H new ATOM 0 HA TRP A 103 -6.713 9.244 -4.969 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -5.626 6.771 -3.560 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -7.257 7.391 -3.398 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -7.272 7.960 -6.804 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -7.948 5.953 -8.267 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -6.296 4.260 -3.452 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -7.927 3.142 -8.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -6.602 1.930 -4.150 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -7.400 1.378 -6.411 1.00 0.00 H new ATOM 1646 N TYR A 104 -4.439 9.232 -2.565 1.00 0.00 N ATOM 1647 CA TYR A 104 -4.102 9.885 -1.290 1.00 0.00 C ATOM 1648 C TYR A 104 -2.712 10.488 -1.218 1.00 0.00 C ATOM 1649 O TYR A 104 -2.319 11.014 -0.177 1.00 0.00 O ATOM 1650 CB TYR A 104 -4.359 8.956 -0.107 1.00 0.00 C ATOM 1651 CG TYR A 104 -5.812 8.963 0.331 1.00 0.00 C ATOM 1652 CD1 TYR A 104 -6.303 10.012 1.099 1.00 0.00 C ATOM 1653 CD2 TYR A 104 -6.696 7.953 -0.038 1.00 0.00 C ATOM 1654 CE1 TYR A 104 -7.624 10.058 1.494 1.00 0.00 C ATOM 1655 CE2 TYR A 104 -8.027 7.998 0.349 1.00 0.00 C ATOM 1656 CZ TYR A 104 -8.482 9.055 1.118 1.00 0.00 C ATOM 1657 OH TYR A 104 -9.812 9.121 1.498 1.00 0.00 O ATOM 0 H TYR A 104 -3.735 8.581 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 104 -4.778 10.738 -1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -4.069 7.941 -0.377 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -3.729 9.256 0.730 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -5.636 10.809 1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -6.341 7.124 -0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -7.981 10.880 2.097 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -8.705 7.212 0.052 1.00 0.00 H new ATOM 0 HH TYR A 104 -10.290 8.338 1.154 1.00 0.00 H new ATOM 1667 N THR A 105 -2.015 10.507 -2.331 1.00 0.00 N ATOM 1668 CA THR A 105 -0.703 11.021 -2.473 1.00 0.00 C ATOM 1669 C THR A 105 0.387 10.426 -1.596 1.00 0.00 C ATOM 1670 O THR A 105 0.149 9.664 -0.666 1.00 0.00 O ATOM 1671 CB THR A 105 -0.652 12.539 -2.524 1.00 0.00 C ATOM 1672 OG1 THR A 105 -1.342 13.156 -1.414 1.00 0.00 O ATOM 1673 CG2 THR A 105 -1.180 13.045 -3.840 1.00 0.00 C ATOM 0 H THR A 105 -2.387 10.137 -3.206 1.00 0.00 H new ATOM 0 HA THR A 105 -0.433 10.646 -3.460 1.00 0.00 H new ATOM 0 HB THR A 105 0.396 12.826 -2.436 1.00 0.00 H new ATOM 0 HG1 THR A 105 -1.453 12.501 -0.693 1.00 0.00 H new ATOM 0 HG21 THR A 105 -1.135 14.134 -3.856 1.00 0.00 H new ATOM 0 HG22 THR A 105 -0.574 12.645 -4.653 1.00 0.00 H new ATOM 0 HG23 THR A 105 -2.214 12.723 -3.965 1.00 0.00 H new ATOM 1681 N LEU A 106 1.582 10.770 -1.943 1.00 0.00 N ATOM 1682 CA LEU A 106 2.756 10.330 -1.275 1.00 0.00 C ATOM 1683 C LEU A 106 3.054 11.396 -0.207 1.00 0.00 C ATOM 1684 O LEU A 106 2.637 12.559 -0.369 1.00 0.00 O ATOM 1685 CB LEU A 106 3.866 10.301 -2.329 1.00 0.00 C ATOM 1686 CG LEU A 106 4.950 9.203 -2.242 1.00 0.00 C ATOM 1687 CD1 LEU A 106 6.095 9.517 -3.180 1.00 0.00 C ATOM 1688 CD2 LEU A 106 5.456 8.971 -0.833 1.00 0.00 C ATOM 0 H LEU A 106 1.772 11.390 -2.731 1.00 0.00 H new ATOM 0 HA LEU A 106 2.664 9.348 -0.811 1.00 0.00 H new ATOM 0 HB2 LEU A 106 3.390 10.218 -3.306 1.00 0.00 H new ATOM 0 HB3 LEU A 106 4.372 11.266 -2.302 1.00 0.00 H new ATOM 0 HG LEU A 106 4.476 8.271 -2.551 1.00 0.00 H new ATOM 0 HD11 LEU A 106 6.850 8.734 -3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 106 5.723 9.568 -4.203 1.00 0.00 H new ATOM 0 HD13 LEU A 106 6.537 10.475 -2.906 1.00 0.00 H new ATOM 0 HD21 LEU A 106 6.214 8.188 -0.843 1.00 0.00 H new ATOM 0 HD22 LEU A 106 5.891 9.893 -0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 106 4.627 8.665 -0.195 1.00 0.00 H new ATOM 1700 N MET A 107 3.723 11.031 0.865 1.00 0.00 N ATOM 1701 CA MET A 107 4.048 11.910 1.879 1.00 0.00 C ATOM 1702 C MET A 107 5.151 12.832 1.454 1.00 0.00 C ATOM 1703 O MET A 107 6.002 12.506 0.608 1.00 0.00 O ATOM 1704 CB MET A 107 4.460 11.072 3.028 1.00 0.00 C ATOM 1705 CG MET A 107 5.189 11.738 4.092 1.00 0.00 C ATOM 1706 SD MET A 107 4.180 12.806 5.123 1.00 0.00 S ATOM 1707 CE MET A 107 3.293 11.556 6.023 1.00 0.00 C ATOM 0 H MET A 107 4.049 10.078 1.025 1.00 0.00 H new ATOM 0 HA MET A 107 3.203 12.547 2.141 1.00 0.00 H new ATOM 0 HB2 MET A 107 3.566 10.621 3.459 1.00 0.00 H new ATOM 0 HB3 MET A 107 5.078 10.257 2.651 1.00 0.00 H new ATOM 0 HG2 MET A 107 5.659 10.983 4.722 1.00 0.00 H new ATOM 0 HG3 MET A 107 5.991 12.330 3.651 1.00 0.00 H new ATOM 0 HE1 MET A 107 2.659 12.029 6.773 1.00 0.00 H new ATOM 0 HE2 MET A 107 2.674 10.982 5.334 1.00 0.00 H new ATOM 0 HE3 MET A 107 4.002 10.890 6.515 1.00 0.00 H new ATOM 1717 N GLU A 108 5.117 13.956 2.051 1.00 0.00 N ATOM 1718 CA GLU A 108 6.033 14.989 1.854 1.00 0.00 C ATOM 1719 C GLU A 108 7.418 14.545 2.289 1.00 0.00 C ATOM 1720 O GLU A 108 7.602 13.847 3.315 1.00 0.00 O ATOM 1721 CB GLU A 108 5.521 16.150 2.648 1.00 0.00 C ATOM 1722 CG GLU A 108 5.761 16.079 4.148 1.00 0.00 C ATOM 1723 CD GLU A 108 5.104 17.202 4.885 1.00 0.00 C ATOM 1724 OE1 GLU A 108 3.926 17.058 5.275 1.00 0.00 O ATOM 1725 OE2 GLU A 108 5.744 18.251 5.097 1.00 0.00 O ATOM 0 H GLU A 108 4.397 14.189 2.735 1.00 0.00 H new ATOM 0 HA GLU A 108 6.128 15.271 0.805 1.00 0.00 H new ATOM 0 HB2 GLU A 108 5.984 17.060 2.267 1.00 0.00 H new ATOM 0 HB3 GLU A 108 4.449 16.241 2.474 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.385 15.129 4.529 1.00 0.00 H new ATOM 0 HG3 GLU A 108 6.833 16.098 4.343 1.00 0.00 H new ATOM 1732 N GLY A 109 8.353 14.855 1.473 1.00 0.00 N ATOM 1733 CA GLY A 109 9.696 14.541 1.756 1.00 0.00 C ATOM 1734 C GLY A 109 10.043 13.107 1.449 1.00 0.00 C ATOM 1735 O GLY A 109 11.137 12.648 1.787 1.00 0.00 O ATOM 0 H GLY A 109 8.205 15.336 0.586 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.346 15.198 1.179 1.00 0.00 H new ATOM 0 HA3 GLY A 109 9.896 14.740 2.809 1.00 0.00 H new ATOM 1739 N GLN A 110 9.126 12.365 0.861 1.00 0.00 N ATOM 1740 CA GLN A 110 9.431 11.014 0.500 1.00 0.00 C ATOM 1741 C GLN A 110 9.491 10.859 -0.973 1.00 0.00 C ATOM 1742 O GLN A 110 9.105 11.755 -1.728 1.00 0.00 O ATOM 1743 CB GLN A 110 8.470 10.022 1.121 1.00 0.00 C ATOM 1744 CG GLN A 110 8.470 10.140 2.598 1.00 0.00 C ATOM 1745 CD GLN A 110 7.586 9.163 3.315 1.00 0.00 C ATOM 1746 OE1 GLN A 110 6.616 8.673 2.788 1.00 0.00 O ATOM 1747 NE2 GLN A 110 7.872 8.945 4.553 1.00 0.00 N ATOM 0 H GLN A 110 8.182 12.676 0.630 1.00 0.00 H new ATOM 0 HA GLN A 110 10.418 10.789 0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 110 7.464 10.195 0.738 1.00 0.00 H new ATOM 0 HB3 GLN A 110 8.750 9.009 0.833 1.00 0.00 H new ATOM 0 HG2 GLN A 110 9.491 10.013 2.957 1.00 0.00 H new ATOM 0 HG3 GLN A 110 8.161 11.150 2.866 1.00 0.00 H new ATOM 0 HE21 GLN A 110 8.699 9.374 4.969 1.00 0.00 H new ATOM 0 HE22 GLN A 110 7.271 8.344 5.117 1.00 0.00 H new ATOM 1756 N GLU A 111 9.982 9.746 -1.357 1.00 0.00 N ATOM 1757 CA GLU A 111 10.208 9.365 -2.720 1.00 0.00 C ATOM 1758 C GLU A 111 9.890 7.903 -2.812 1.00 0.00 C ATOM 1759 O GLU A 111 10.123 7.194 -1.848 1.00 0.00 O ATOM 1760 CB GLU A 111 11.673 9.636 -3.076 1.00 0.00 C ATOM 1761 CG GLU A 111 11.974 11.113 -3.162 1.00 0.00 C ATOM 1762 CD GLU A 111 13.367 11.470 -2.760 1.00 0.00 C ATOM 1763 OE1 GLU A 111 14.318 11.168 -3.494 1.00 0.00 O ATOM 1764 OE2 GLU A 111 13.533 12.077 -1.691 1.00 0.00 O ATOM 0 H GLU A 111 10.259 9.021 -0.696 1.00 0.00 H new ATOM 0 HA GLU A 111 9.587 9.929 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 111 12.318 9.178 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 111 11.907 9.163 -4.030 1.00 0.00 H new ATOM 0 HG2 GLU A 111 11.804 11.450 -4.185 1.00 0.00 H new ATOM 0 HG3 GLU A 111 11.273 11.654 -2.527 1.00 0.00 H new ATOM 1771 N PRO A 112 9.321 7.440 -3.932 1.00 0.00 N ATOM 1772 CA PRO A 112 8.926 6.047 -4.099 1.00 0.00 C ATOM 1773 C PRO A 112 10.045 5.119 -3.944 1.00 0.00 C ATOM 1774 O PRO A 112 11.067 5.196 -4.638 1.00 0.00 O ATOM 1775 CB PRO A 112 8.380 5.949 -5.506 1.00 0.00 C ATOM 1776 CG PRO A 112 8.117 7.348 -5.928 1.00 0.00 C ATOM 1777 CD PRO A 112 9.020 8.236 -5.119 1.00 0.00 C ATOM 0 HA PRO A 112 8.199 5.771 -3.335 1.00 0.00 H new ATOM 0 HB2 PRO A 112 9.095 5.466 -6.172 1.00 0.00 H new ATOM 0 HB3 PRO A 112 7.468 5.353 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 112 8.311 7.471 -6.993 1.00 0.00 H new ATOM 0 HG3 PRO A 112 7.072 7.609 -5.762 1.00 0.00 H new ATOM 0 HD2 PRO A 112 9.926 8.492 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 112 8.529 9.174 -4.858 1.00 0.00 H new ATOM 1785 N ILE A 113 9.855 4.252 -3.036 1.00 0.00 N ATOM 1786 CA ILE A 113 10.764 3.236 -2.806 1.00 0.00 C ATOM 1787 C ILE A 113 10.469 2.145 -3.803 1.00 0.00 C ATOM 1788 O ILE A 113 9.431 1.477 -3.728 1.00 0.00 O ATOM 1789 CB ILE A 113 10.680 2.652 -1.381 1.00 0.00 C ATOM 1790 CG1 ILE A 113 11.088 3.645 -0.283 1.00 0.00 C ATOM 1791 CG2 ILE A 113 11.528 1.444 -1.308 1.00 0.00 C ATOM 1792 CD1 ILE A 113 10.084 4.730 -0.001 1.00 0.00 C ATOM 0 H ILE A 113 9.040 4.237 -2.422 1.00 0.00 H new ATOM 0 HA ILE A 113 11.769 3.643 -2.912 1.00 0.00 H new ATOM 0 HB ILE A 113 9.634 2.409 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 113 11.270 3.091 0.638 1.00 0.00 H new ATOM 0 HG13 ILE A 113 12.032 4.110 -0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 113 11.476 1.023 -0.304 1.00 0.00 H new ATOM 0 HG22 ILE A 113 11.175 0.707 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 113 12.560 1.710 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 113 10.462 5.380 0.788 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.918 5.316 -0.905 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.143 4.281 0.318 1.00 0.00 H new ATOM 1804 N ALA A 114 11.309 2.016 -4.752 1.00 0.00 N ATOM 1805 CA ALA A 114 11.167 0.998 -5.712 1.00 0.00 C ATOM 1806 C ALA A 114 11.947 -0.218 -5.274 1.00 0.00 C ATOM 1807 O ALA A 114 13.142 -0.148 -4.983 1.00 0.00 O ATOM 1808 CB ALA A 114 11.599 1.489 -7.049 1.00 0.00 C ATOM 0 H ALA A 114 12.121 2.618 -4.886 1.00 0.00 H new ATOM 0 HA ALA A 114 10.119 0.711 -5.798 1.00 0.00 H new ATOM 0 HB1 ALA A 114 11.484 0.692 -7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 114 10.985 2.341 -7.339 1.00 0.00 H new ATOM 0 HB3 ALA A 114 12.645 1.794 -7.004 1.00 0.00 H new ATOM 1814 N ARG A 115 11.271 -1.302 -5.206 1.00 0.00 N ATOM 1815 CA ARG A 115 11.793 -2.518 -4.745 1.00 0.00 C ATOM 1816 C ARG A 115 11.476 -3.523 -5.821 1.00 0.00 C ATOM 1817 O ARG A 115 10.337 -3.648 -6.234 1.00 0.00 O ATOM 1818 CB ARG A 115 11.071 -2.821 -3.424 1.00 0.00 C ATOM 1819 CG ARG A 115 11.758 -3.774 -2.471 1.00 0.00 C ATOM 1820 CD ARG A 115 11.789 -5.187 -2.984 1.00 0.00 C ATOM 1821 NE ARG A 115 12.440 -6.118 -2.051 1.00 0.00 N ATOM 1822 CZ ARG A 115 13.237 -7.133 -2.431 1.00 0.00 C ATOM 1823 NH1 ARG A 115 13.494 -7.325 -3.726 1.00 0.00 N ATOM 1824 NH2 ARG A 115 13.754 -7.961 -1.523 1.00 0.00 N ATOM 0 H ARG A 115 10.292 -1.362 -5.485 1.00 0.00 H new ATOM 0 HA ARG A 115 12.867 -2.521 -4.558 1.00 0.00 H new ATOM 0 HB2 ARG A 115 10.909 -1.878 -2.902 1.00 0.00 H new ATOM 0 HB3 ARG A 115 10.088 -3.228 -3.660 1.00 0.00 H new ATOM 0 HG2 ARG A 115 12.778 -3.433 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 115 11.245 -3.752 -1.509 1.00 0.00 H new ATOM 0 HD2 ARG A 115 10.769 -5.523 -3.173 1.00 0.00 H new ATOM 0 HD3 ARG A 115 12.314 -5.210 -3.939 1.00 0.00 H new ATOM 0 HE ARG A 115 12.277 -5.986 -1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 115 13.087 -6.703 -4.424 1.00 0.00 H new ATOM 0 HH12 ARG A 115 14.098 -8.094 -4.018 1.00 0.00 H new ATOM 0 HH21 ARG A 115 13.546 -7.827 -0.533 1.00 0.00 H new ATOM 0 HH22 ARG A 115 14.358 -8.729 -1.818 1.00 0.00 H new ATOM 1838 N LYS A 116 12.477 -4.173 -6.310 1.00 0.00 N ATOM 1839 CA LYS A 116 12.326 -5.135 -7.377 1.00 0.00 C ATOM 1840 C LYS A 116 11.585 -6.356 -6.933 1.00 0.00 C ATOM 1841 O LYS A 116 11.303 -6.547 -5.746 1.00 0.00 O ATOM 1842 CB LYS A 116 13.670 -5.624 -7.826 1.00 0.00 C ATOM 1843 CG LYS A 116 14.522 -4.672 -8.584 1.00 0.00 C ATOM 1844 CD LYS A 116 15.788 -5.396 -8.972 1.00 0.00 C ATOM 1845 CE LYS A 116 16.732 -4.536 -9.757 1.00 0.00 C ATOM 1846 NZ LYS A 116 17.927 -5.304 -10.161 1.00 0.00 N ATOM 0 H LYS A 116 13.437 -4.059 -5.985 1.00 0.00 H new ATOM 0 HA LYS A 116 11.781 -4.622 -8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 116 14.224 -5.945 -6.944 1.00 0.00 H new ATOM 0 HB3 LYS A 116 13.518 -6.508 -8.446 1.00 0.00 H new ATOM 0 HG2 LYS A 116 13.999 -4.314 -9.471 1.00 0.00 H new ATOM 0 HG3 LYS A 116 14.753 -3.798 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 116 16.290 -5.749 -8.071 1.00 0.00 H new ATOM 0 HD3 LYS A 116 15.532 -6.277 -9.560 1.00 0.00 H new ATOM 0 HE2 LYS A 116 16.227 -4.148 -10.642 1.00 0.00 H new ATOM 0 HE3 LYS A 116 17.032 -3.676 -9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 18.567 -4.690 -10.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 18.418 -5.654 -9.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 17.638 -6.110 -10.751 1.00 0.00 H new ATOM 1860 N VAL A 117 11.317 -7.203 -7.890 1.00 0.00 N ATOM 1861 CA VAL A 117 10.807 -8.515 -7.606 1.00 0.00 C ATOM 1862 C VAL A 117 11.929 -9.245 -6.904 1.00 0.00 C ATOM 1863 O VAL A 117 13.109 -8.971 -7.172 1.00 0.00 O ATOM 1864 CB VAL A 117 10.463 -9.317 -8.884 1.00 0.00 C ATOM 1865 CG1 VAL A 117 9.804 -10.626 -8.540 1.00 0.00 C ATOM 1866 CG2 VAL A 117 9.617 -8.529 -9.851 1.00 0.00 C ATOM 0 H VAL A 117 11.445 -7.004 -8.882 1.00 0.00 H new ATOM 0 HA VAL A 117 9.892 -8.423 -7.021 1.00 0.00 H new ATOM 0 HB VAL A 117 11.408 -9.526 -9.386 1.00 0.00 H new ATOM 0 HG11 VAL A 117 9.573 -11.169 -9.456 1.00 0.00 H new ATOM 0 HG12 VAL A 117 10.478 -11.222 -7.925 1.00 0.00 H new ATOM 0 HG13 VAL A 117 8.883 -10.436 -7.989 1.00 0.00 H new ATOM 0 HG21 VAL A 117 9.405 -9.139 -10.729 1.00 0.00 H new ATOM 0 HG22 VAL A 117 8.680 -8.248 -9.370 1.00 0.00 H new ATOM 0 HG23 VAL A 117 10.153 -7.630 -10.154 1.00 0.00 H new