USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 657 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 57 GLN :FLIP amide:sc= -0.231 F(o=-0.79,f=-0.26) USER MOD Set 1.2: A 62 CYS SG : rot 112:sc= -0.0293 USER MOD Set 2.1: A 30 CYS SG : rot -147:sc= -1.3 USER MOD Set 2.2: A 79 CYS SG : rot 108:sc= 1.8 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.399 K(o=-0.4,f=-1.5) USER MOD Single : A 18 GLN : amide:sc= -0.696 K(o=-0.7,f=-3!) USER MOD Single : A 25 THR OG1 : rot 160:sc= -0.0631 USER MOD Single : A 29 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 33 ASN : amide:sc= -1.28 K(o=-1.3,f=-2.6!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -75:sc= 1.03 USER MOD Single : A 46 THR OG1 : rot 180:sc=-0.00862 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= -0.34 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -118:sc= 0.0141 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 156:sc= -2.16 (180deg=-3.48) USER MOD Single : A 74 THR OG1 : rot 93:sc= -0.233 USER MOD Single : A 77 TYR OH : rot -33:sc= -0.252 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 CYS SG : rot -99:sc= -1.4! USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 86 THR OG1 : rot 170:sc= 0.0782! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -168:sc=-0.000362 (180deg=-0.158) USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -13.881 16.284 4.506 1.00 0.00 N ATOM 81 CA ALA A 9 -13.194 16.251 3.221 1.00 0.00 C ATOM 82 C ALA A 9 -13.720 15.119 2.346 1.00 0.00 C ATOM 83 O ALA A 9 -13.948 14.007 2.824 1.00 0.00 O ATOM 84 CB ALA A 9 -11.693 16.107 3.429 1.00 0.00 C ATOM 0 HA ALA A 9 -13.390 17.192 2.708 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -11.192 16.084 2.461 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -11.323 16.953 4.009 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -11.487 15.181 3.966 1.00 0.00 H new ATOM 90 N ARG A 10 -13.912 15.408 1.064 1.00 0.00 N ATOM 91 CA ARG A 10 -14.413 14.414 0.123 1.00 0.00 C ATOM 92 C ARG A 10 -13.357 14.075 -0.925 1.00 0.00 C ATOM 93 O ARG A 10 -12.591 14.939 -1.352 1.00 0.00 O ATOM 94 CB ARG A 10 -15.681 14.925 -0.564 1.00 0.00 C ATOM 95 CG ARG A 10 -15.488 16.241 -1.300 1.00 0.00 C ATOM 96 CD ARG A 10 -16.534 16.429 -2.388 1.00 0.00 C ATOM 97 NE ARG A 10 -17.820 16.856 -1.843 1.00 0.00 N ATOM 98 CZ ARG A 10 -18.971 16.734 -2.494 1.00 0.00 C ATOM 99 NH1 ARG A 10 -18.996 16.201 -3.708 1.00 0.00 N ATOM 100 NH2 ARG A 10 -20.100 17.145 -1.932 1.00 0.00 N ATOM 0 H ARG A 10 -13.728 16.323 0.653 1.00 0.00 H new ATOM 0 HA ARG A 10 -14.649 13.509 0.682 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -16.030 14.172 -1.270 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.464 15.048 0.184 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -15.546 17.067 -0.592 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -14.492 16.269 -1.742 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -16.181 17.169 -3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -16.663 15.493 -2.932 1.00 0.00 H new ATOM 0 HE ARG A 10 -17.835 17.271 -0.911 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -18.130 15.884 -4.144 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -19.881 16.108 -4.206 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -20.085 17.556 -0.998 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -20.983 17.051 -2.433 1.00 0.00 H new ATOM 114 N PHE A 11 -13.320 12.811 -1.333 1.00 0.00 N ATOM 115 CA PHE A 11 -12.356 12.356 -2.329 1.00 0.00 C ATOM 116 C PHE A 11 -12.692 12.919 -3.707 1.00 0.00 C ATOM 117 O PHE A 11 -13.600 12.434 -4.382 1.00 0.00 O ATOM 118 CB PHE A 11 -12.329 10.828 -2.382 1.00 0.00 C ATOM 119 CG PHE A 11 -11.694 10.197 -1.176 1.00 0.00 C ATOM 120 CD1 PHE A 11 -10.317 10.081 -1.082 1.00 0.00 C ATOM 121 CD2 PHE A 11 -12.475 9.719 -0.136 1.00 0.00 C ATOM 122 CE1 PHE A 11 -9.731 9.500 0.026 1.00 0.00 C ATOM 123 CE2 PHE A 11 -11.895 9.138 0.975 1.00 0.00 C ATOM 124 CZ PHE A 11 -10.520 9.029 1.057 1.00 0.00 C ATOM 0 H PHE A 11 -13.946 12.083 -0.989 1.00 0.00 H new ATOM 0 HA PHE A 11 -11.370 12.720 -2.038 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -13.349 10.458 -2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -11.788 10.513 -3.274 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -9.694 10.449 -1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -13.550 9.802 -0.195 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -8.656 9.414 0.086 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -12.515 8.769 1.778 1.00 0.00 H new ATOM 0 HZ PHE A 11 -10.064 8.577 1.925 1.00 0.00 H new ATOM 134 N ILE A 12 -11.954 13.945 -4.116 1.00 0.00 N ATOM 135 CA ILE A 12 -12.172 14.574 -5.413 1.00 0.00 C ATOM 136 C ILE A 12 -11.710 13.667 -6.548 1.00 0.00 C ATOM 137 O ILE A 12 -12.257 13.707 -7.650 1.00 0.00 O ATOM 138 CB ILE A 12 -11.437 15.922 -5.516 1.00 0.00 C ATOM 139 CG1 ILE A 12 -9.925 15.713 -5.407 1.00 0.00 C ATOM 140 CG2 ILE A 12 -11.924 16.876 -4.435 1.00 0.00 C ATOM 141 CD1 ILE A 12 -9.116 16.929 -5.801 1.00 0.00 C ATOM 0 H ILE A 12 -11.200 14.359 -3.568 1.00 0.00 H new ATOM 0 HA ILE A 12 -13.244 14.747 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 12 -11.655 16.364 -6.488 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -9.677 15.439 -4.381 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -9.636 14.874 -6.040 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -11.394 17.825 -4.522 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -12.994 17.046 -4.554 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -11.733 16.442 -3.454 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -8.054 16.708 -5.699 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -9.334 17.191 -6.836 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -9.376 17.765 -5.152 1.00 0.00 H new ATOM 153 N GLU A 13 -10.700 12.848 -6.271 1.00 0.00 N ATOM 154 CA GLU A 13 -10.164 11.930 -7.269 1.00 0.00 C ATOM 155 C GLU A 13 -10.169 10.496 -6.748 1.00 0.00 C ATOM 156 O GLU A 13 -9.687 10.222 -5.649 1.00 0.00 O ATOM 157 CB GLU A 13 -8.742 12.338 -7.659 1.00 0.00 C ATOM 158 CG GLU A 13 -8.688 13.375 -8.768 1.00 0.00 C ATOM 159 CD GLU A 13 -9.563 13.010 -9.951 1.00 0.00 C ATOM 160 OE1 GLU A 13 -9.106 12.225 -10.808 1.00 0.00 O ATOM 161 OE2 GLU A 13 -10.705 13.510 -10.020 1.00 0.00 O ATOM 0 H GLU A 13 -10.237 12.802 -5.364 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.803 11.980 -8.151 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -8.232 12.732 -6.780 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -8.193 11.451 -7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -9.002 14.341 -8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.657 13.488 -9.104 1.00 0.00 H new ATOM 168 N ASP A 14 -10.719 9.586 -7.544 1.00 0.00 N ATOM 169 CA ASP A 14 -10.787 8.179 -7.165 1.00 0.00 C ATOM 170 C ASP A 14 -9.564 7.420 -7.670 1.00 0.00 C ATOM 171 O ASP A 14 -9.189 7.532 -8.837 1.00 0.00 O ATOM 172 CB ASP A 14 -12.062 7.541 -7.717 1.00 0.00 C ATOM 173 CG ASP A 14 -13.300 8.359 -7.406 1.00 0.00 C ATOM 174 OD1 ASP A 14 -13.295 9.079 -6.385 1.00 0.00 O ATOM 175 OD2 ASP A 14 -14.274 8.280 -8.184 1.00 0.00 O ATOM 0 H ASP A 14 -11.124 9.797 -8.456 1.00 0.00 H new ATOM 0 HA ASP A 14 -10.803 8.122 -6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -11.969 7.425 -8.797 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -12.176 6.541 -7.298 1.00 0.00 H new ATOM 180 N VAL A 15 -8.944 6.648 -6.783 1.00 0.00 N ATOM 181 CA VAL A 15 -7.763 5.871 -7.138 1.00 0.00 C ATOM 182 C VAL A 15 -8.039 4.970 -8.337 1.00 0.00 C ATOM 183 O VAL A 15 -9.190 4.663 -8.646 1.00 0.00 O ATOM 184 CB VAL A 15 -7.286 5.003 -5.958 1.00 0.00 C ATOM 185 CG1 VAL A 15 -6.940 5.875 -4.760 1.00 0.00 C ATOM 186 CG2 VAL A 15 -8.345 3.975 -5.591 1.00 0.00 C ATOM 0 H VAL A 15 -9.241 6.544 -5.813 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.980 6.585 -7.394 1.00 0.00 H new ATOM 0 HB VAL A 15 -6.385 4.470 -6.262 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -6.605 5.245 -3.936 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -6.145 6.569 -5.033 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.822 6.437 -4.452 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -7.991 3.371 -4.756 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.265 4.486 -5.305 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.539 3.331 -6.448 1.00 0.00 H new ATOM 196 N LYS A 16 -6.973 4.549 -9.011 1.00 0.00 N ATOM 197 CA LYS A 16 -7.098 3.682 -10.176 1.00 0.00 C ATOM 198 C LYS A 16 -6.876 2.222 -9.795 1.00 0.00 C ATOM 199 O LYS A 16 -6.144 1.922 -8.852 1.00 0.00 O ATOM 200 CB LYS A 16 -6.095 4.097 -11.256 1.00 0.00 C ATOM 201 CG LYS A 16 -6.063 5.593 -11.513 1.00 0.00 C ATOM 202 CD LYS A 16 -7.388 6.094 -12.061 1.00 0.00 C ATOM 203 CE LYS A 16 -7.275 7.520 -12.577 1.00 0.00 C ATOM 204 NZ LYS A 16 -6.629 7.575 -13.918 1.00 0.00 N ATOM 0 H LYS A 16 -6.013 4.795 -8.770 1.00 0.00 H new ATOM 0 HA LYS A 16 -8.110 3.786 -10.568 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.099 3.766 -10.962 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.340 3.582 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.830 6.117 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -5.266 5.825 -12.219 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.720 5.440 -12.867 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.147 6.048 -11.280 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.268 7.965 -12.634 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.698 8.117 -11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.571 8.564 -14.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.672 7.173 -13.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -7.193 7.026 -14.598 1.00 0.00 H new ATOM 218 N ASN A 17 -7.511 1.319 -10.534 1.00 0.00 N ATOM 219 CA ASN A 17 -7.381 -0.110 -10.273 1.00 0.00 C ATOM 220 C ASN A 17 -5.923 -0.490 -10.037 1.00 0.00 C ATOM 221 O ASN A 17 -5.025 0.004 -10.718 1.00 0.00 O ATOM 222 CB ASN A 17 -7.947 -0.917 -11.443 1.00 0.00 C ATOM 223 CG ASN A 17 -7.309 -0.541 -12.766 1.00 0.00 C ATOM 224 OD1 ASN A 17 -6.119 -0.768 -12.981 1.00 0.00 O ATOM 225 ND2 ASN A 17 -8.102 0.037 -13.662 1.00 0.00 N ATOM 0 H ASN A 17 -8.121 1.551 -11.318 1.00 0.00 H new ATOM 0 HA ASN A 17 -7.949 -0.342 -9.372 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.792 -1.980 -11.257 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -9.024 -0.758 -11.504 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -7.729 0.312 -14.571 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.083 0.206 -13.441 1.00 0.00 H new ATOM 232 N GLN A 18 -5.695 -1.371 -9.068 1.00 0.00 N ATOM 233 CA GLN A 18 -4.346 -1.816 -8.742 1.00 0.00 C ATOM 234 C GLN A 18 -4.050 -3.170 -9.381 1.00 0.00 C ATOM 235 O GLN A 18 -4.885 -4.074 -9.355 1.00 0.00 O ATOM 236 CB GLN A 18 -4.167 -1.905 -7.226 1.00 0.00 C ATOM 237 CG GLN A 18 -2.727 -1.727 -6.771 1.00 0.00 C ATOM 238 CD GLN A 18 -2.141 -0.396 -7.198 1.00 0.00 C ATOM 239 OE1 GLN A 18 -0.987 -0.319 -7.620 1.00 0.00 O ATOM 240 NE2 GLN A 18 -2.935 0.663 -7.089 1.00 0.00 N ATOM 0 H GLN A 18 -6.427 -1.790 -8.495 1.00 0.00 H new ATOM 0 HA GLN A 18 -3.643 -1.084 -9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.786 -1.144 -6.750 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.531 -2.873 -6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -2.680 -1.809 -5.685 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -2.119 -2.535 -7.178 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.885 0.554 -6.734 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -2.595 1.586 -7.360 1.00 0.00 H new ATOM 249 N GLU A 19 -2.858 -3.300 -9.954 1.00 0.00 N ATOM 250 CA GLU A 19 -2.454 -4.544 -10.601 1.00 0.00 C ATOM 251 C GLU A 19 -0.938 -4.711 -10.558 1.00 0.00 C ATOM 252 O GLU A 19 -0.196 -3.885 -11.090 1.00 0.00 O ATOM 253 CB GLU A 19 -2.941 -4.572 -12.051 1.00 0.00 C ATOM 254 CG GLU A 19 -2.851 -5.944 -12.697 1.00 0.00 C ATOM 255 CD GLU A 19 -3.874 -6.139 -13.799 1.00 0.00 C ATOM 256 OE1 GLU A 19 -3.559 -5.821 -14.964 1.00 0.00 O ATOM 257 OE2 GLU A 19 -4.990 -6.609 -13.495 1.00 0.00 O ATOM 0 H GLU A 19 -2.156 -2.561 -9.984 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.909 -5.372 -10.057 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -3.976 -4.231 -12.084 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.353 -3.865 -12.636 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.851 -6.084 -13.107 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.993 -6.710 -11.935 1.00 0.00 H new ATOM 264 N ALA A 20 -0.485 -5.786 -9.922 1.00 0.00 N ATOM 265 CA ALA A 20 0.942 -6.064 -9.811 1.00 0.00 C ATOM 266 C ALA A 20 1.201 -7.560 -9.675 1.00 0.00 C ATOM 267 O ALA A 20 0.411 -8.284 -9.068 1.00 0.00 O ATOM 268 CB ALA A 20 1.535 -5.314 -8.628 1.00 0.00 C ATOM 0 H ALA A 20 -1.086 -6.479 -9.476 1.00 0.00 H new ATOM 0 HA ALA A 20 1.426 -5.720 -10.725 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.601 -5.531 -8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 20 1.391 -4.243 -8.767 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.039 -5.630 -7.711 1.00 0.00 H new ATOM 274 N ARG A 21 2.312 -8.018 -10.243 1.00 0.00 N ATOM 275 CA ARG A 21 2.674 -9.429 -10.186 1.00 0.00 C ATOM 276 C ARG A 21 3.062 -9.834 -8.767 1.00 0.00 C ATOM 277 O ARG A 21 3.642 -9.043 -8.023 1.00 0.00 O ATOM 278 CB ARG A 21 3.829 -9.721 -11.145 1.00 0.00 C ATOM 279 CG ARG A 21 3.383 -9.977 -12.576 1.00 0.00 C ATOM 280 CD ARG A 21 4.390 -10.831 -13.329 1.00 0.00 C ATOM 281 NE ARG A 21 4.391 -10.542 -14.761 1.00 0.00 N ATOM 282 CZ ARG A 21 5.430 -10.769 -15.556 1.00 0.00 C ATOM 283 NH1 ARG A 21 6.547 -11.286 -15.062 1.00 0.00 N ATOM 284 NH2 ARG A 21 5.353 -10.480 -16.849 1.00 0.00 N ATOM 0 H ARG A 21 2.977 -7.432 -10.748 1.00 0.00 H new ATOM 0 HA ARG A 21 1.805 -10.013 -10.487 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.521 -8.879 -11.134 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.379 -10.590 -10.784 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.413 -10.474 -12.572 1.00 0.00 H new ATOM 0 HG3 ARG A 21 3.252 -9.026 -13.093 1.00 0.00 H new ATOM 0 HD2 ARG A 21 5.387 -10.658 -12.924 1.00 0.00 H new ATOM 0 HD3 ARG A 21 4.161 -11.885 -13.172 1.00 0.00 H new ATOM 0 HE ARG A 21 3.547 -10.144 -15.173 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.610 -11.510 -14.069 1.00 0.00 H new ATOM 0 HH12 ARG A 21 7.344 -11.459 -15.675 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.495 -10.083 -17.233 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.152 -10.655 -17.459 1.00 0.00 H new ATOM 298 N GLU A 22 2.739 -11.070 -8.400 1.00 0.00 N ATOM 299 CA GLU A 22 3.054 -11.578 -7.070 1.00 0.00 C ATOM 300 C GLU A 22 4.445 -11.130 -6.631 1.00 0.00 C ATOM 301 O GLU A 22 5.339 -10.947 -7.456 1.00 0.00 O ATOM 302 CB GLU A 22 2.969 -13.106 -7.050 1.00 0.00 C ATOM 303 CG GLU A 22 1.588 -13.634 -6.699 1.00 0.00 C ATOM 304 CD GLU A 22 1.540 -15.149 -6.641 1.00 0.00 C ATOM 305 OE1 GLU A 22 2.132 -15.796 -7.529 1.00 0.00 O ATOM 306 OE2 GLU A 22 0.910 -15.686 -5.706 1.00 0.00 O ATOM 0 H GLU A 22 2.260 -11.737 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 22 2.323 -11.171 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.258 -13.490 -8.028 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.690 -13.492 -6.330 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.282 -13.227 -5.735 1.00 0.00 H new ATOM 0 HG3 GLU A 22 0.869 -13.279 -7.438 1.00 0.00 H new ATOM 313 N GLY A 23 4.619 -10.954 -5.325 1.00 0.00 N ATOM 314 CA GLY A 23 5.902 -10.528 -4.798 1.00 0.00 C ATOM 315 C GLY A 23 6.218 -9.085 -5.138 1.00 0.00 C ATOM 316 O GLY A 23 7.382 -8.719 -5.302 1.00 0.00 O ATOM 0 H GLY A 23 3.894 -11.099 -4.622 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.906 -10.652 -3.715 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.687 -11.172 -5.195 1.00 0.00 H new ATOM 320 N ALA A 24 5.179 -8.263 -5.248 1.00 0.00 N ATOM 321 CA ALA A 24 5.352 -6.852 -5.571 1.00 0.00 C ATOM 322 C ALA A 24 4.738 -5.963 -4.495 1.00 0.00 C ATOM 323 O ALA A 24 4.171 -6.454 -3.518 1.00 0.00 O ATOM 324 CB ALA A 24 4.738 -6.543 -6.928 1.00 0.00 C ATOM 0 H ALA A 24 4.209 -8.550 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 24 6.421 -6.642 -5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.874 -5.486 -7.157 1.00 0.00 H new ATOM 0 HB2 ALA A 24 5.226 -7.146 -7.694 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.673 -6.775 -6.907 1.00 0.00 H new ATOM 330 N THR A 25 4.853 -4.652 -4.680 1.00 0.00 N ATOM 331 CA THR A 25 4.311 -3.694 -3.724 1.00 0.00 C ATOM 332 C THR A 25 3.308 -2.760 -4.391 1.00 0.00 C ATOM 333 O THR A 25 3.689 -1.828 -5.099 1.00 0.00 O ATOM 334 CB THR A 25 5.427 -2.853 -3.077 1.00 0.00 C ATOM 335 OG1 THR A 25 6.418 -3.713 -2.503 1.00 0.00 O ATOM 336 CG2 THR A 25 4.861 -1.937 -2.003 1.00 0.00 C ATOM 0 H THR A 25 5.317 -4.229 -5.484 1.00 0.00 H new ATOM 0 HA THR A 25 3.806 -4.271 -2.949 1.00 0.00 H new ATOM 0 HB THR A 25 5.884 -2.238 -3.852 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.254 -3.216 -2.385 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.668 -1.353 -1.560 1.00 0.00 H new ATOM 0 HG22 THR A 25 4.128 -1.264 -2.448 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.381 -2.536 -1.230 1.00 0.00 H new ATOM 344 N ALA A 26 2.025 -3.015 -4.160 1.00 0.00 N ATOM 345 CA ALA A 26 0.967 -2.195 -4.737 1.00 0.00 C ATOM 346 C ALA A 26 1.100 -0.740 -4.299 1.00 0.00 C ATOM 347 O ALA A 26 1.748 -0.440 -3.296 1.00 0.00 O ATOM 348 CB ALA A 26 -0.398 -2.742 -4.346 1.00 0.00 C ATOM 0 H ALA A 26 1.693 -3.783 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 26 1.064 -2.232 -5.822 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.178 -2.120 -4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -0.500 -3.763 -4.713 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.495 -2.735 -3.260 1.00 0.00 H new ATOM 354 N VAL A 27 0.484 0.161 -5.059 1.00 0.00 N ATOM 355 CA VAL A 27 0.534 1.585 -4.749 1.00 0.00 C ATOM 356 C VAL A 27 -0.796 2.262 -5.060 1.00 0.00 C ATOM 357 O VAL A 27 -1.173 2.409 -6.224 1.00 0.00 O ATOM 358 CB VAL A 27 1.654 2.291 -5.536 1.00 0.00 C ATOM 359 CG1 VAL A 27 1.842 3.715 -5.035 1.00 0.00 C ATOM 360 CG2 VAL A 27 2.953 1.506 -5.434 1.00 0.00 C ATOM 0 H VAL A 27 -0.055 -0.070 -5.893 1.00 0.00 H new ATOM 0 HA VAL A 27 0.741 1.670 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 27 1.364 2.335 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.637 4.198 -5.602 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.914 4.272 -5.164 1.00 0.00 H new ATOM 0 HG13 VAL A 27 2.110 3.697 -3.979 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.733 2.019 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 27 3.250 1.429 -4.388 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.808 0.507 -5.845 1.00 0.00 H new ATOM 370 N LEU A 28 -1.503 2.673 -4.014 1.00 0.00 N ATOM 371 CA LEU A 28 -2.793 3.336 -4.175 1.00 0.00 C ATOM 372 C LEU A 28 -2.685 4.822 -3.849 1.00 0.00 C ATOM 373 O LEU A 28 -2.461 5.200 -2.699 1.00 0.00 O ATOM 374 CB LEU A 28 -3.841 2.679 -3.275 1.00 0.00 C ATOM 375 CG LEU A 28 -4.343 1.305 -3.721 1.00 0.00 C ATOM 376 CD1 LEU A 28 -4.735 0.464 -2.517 1.00 0.00 C ATOM 377 CD2 LEU A 28 -5.517 1.451 -4.678 1.00 0.00 C ATOM 0 H LEU A 28 -1.205 2.559 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.101 3.233 -5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -3.422 2.583 -2.273 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.697 3.349 -3.199 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.534 0.796 -4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -5.090 -0.510 -2.854 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.869 0.331 -1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.528 0.968 -1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -5.861 0.463 -4.985 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.329 1.980 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -5.203 2.015 -5.556 1.00 0.00 H new ATOM 389 N GLN A 29 -2.848 5.659 -4.868 1.00 0.00 N ATOM 390 CA GLN A 29 -2.771 7.104 -4.689 1.00 0.00 C ATOM 391 C GLN A 29 -4.137 7.752 -4.892 1.00 0.00 C ATOM 392 O GLN A 29 -4.889 7.369 -5.789 1.00 0.00 O ATOM 393 CB GLN A 29 -1.757 7.707 -5.664 1.00 0.00 C ATOM 394 CG GLN A 29 -0.323 7.286 -5.387 1.00 0.00 C ATOM 395 CD GLN A 29 0.640 7.755 -6.459 1.00 0.00 C ATOM 396 OE1 GLN A 29 0.345 8.684 -7.212 1.00 0.00 O ATOM 397 NE2 GLN A 29 1.800 7.113 -6.535 1.00 0.00 N ATOM 0 H GLN A 29 -3.034 5.362 -5.826 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.444 7.301 -3.668 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.023 7.414 -6.680 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.823 8.794 -5.618 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -0.011 7.687 -4.423 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -0.275 6.200 -5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 29 2.003 6.349 -5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 29 2.488 7.384 -7.238 1.00 0.00 H new ATOM 406 N CYS A 30 -4.450 8.734 -4.055 1.00 0.00 N ATOM 407 CA CYS A 30 -5.727 9.435 -4.142 1.00 0.00 C ATOM 408 C CYS A 30 -5.561 10.911 -3.797 1.00 0.00 C ATOM 409 O CYS A 30 -4.493 11.340 -3.363 1.00 0.00 O ATOM 410 CB CYS A 30 -6.750 8.791 -3.206 1.00 0.00 C ATOM 411 SG CYS A 30 -6.585 9.291 -1.476 1.00 0.00 S ATOM 0 H CYS A 30 -3.838 9.063 -3.308 1.00 0.00 H new ATOM 0 HA CYS A 30 -6.087 9.359 -5.168 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.752 9.043 -3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.654 7.707 -3.271 1.00 0.00 H new ATOM 0 HG CYS A 30 -6.933 8.304 -0.704 1.00 0.00 H new ATOM 417 N GLU A 31 -6.626 11.683 -3.996 1.00 0.00 N ATOM 418 CA GLU A 31 -6.596 13.112 -3.708 1.00 0.00 C ATOM 419 C GLU A 31 -7.858 13.543 -2.965 1.00 0.00 C ATOM 420 O GLU A 31 -8.928 12.962 -3.147 1.00 0.00 O ATOM 421 CB GLU A 31 -6.456 13.913 -5.004 1.00 0.00 C ATOM 422 CG GLU A 31 -5.814 15.277 -4.810 1.00 0.00 C ATOM 423 CD GLU A 31 -5.145 15.791 -6.070 1.00 0.00 C ATOM 424 OE1 GLU A 31 -5.561 15.380 -7.173 1.00 0.00 O ATOM 425 OE2 GLU A 31 -4.206 16.606 -5.952 1.00 0.00 O ATOM 0 H GLU A 31 -7.518 11.343 -4.355 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.734 13.311 -3.071 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.861 13.338 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.443 14.045 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.574 15.990 -4.490 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -5.076 15.217 -4.010 1.00 0.00 H new ATOM 432 N LEU A 32 -7.723 14.565 -2.127 1.00 0.00 N ATOM 433 CA LEU A 32 -8.851 15.075 -1.355 1.00 0.00 C ATOM 434 C LEU A 32 -9.084 16.555 -1.643 1.00 0.00 C ATOM 435 O LEU A 32 -8.152 17.287 -1.974 1.00 0.00 O ATOM 436 CB LEU A 32 -8.606 14.868 0.141 1.00 0.00 C ATOM 437 CG LEU A 32 -8.525 13.416 0.613 1.00 0.00 C ATOM 438 CD1 LEU A 32 -7.648 13.304 1.850 1.00 0.00 C ATOM 439 CD2 LEU A 32 -9.917 12.868 0.893 1.00 0.00 C ATOM 0 H LEU A 32 -6.844 15.057 -1.965 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.742 14.521 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.676 15.369 0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.405 15.364 0.692 1.00 0.00 H new ATOM 0 HG LEU A 32 -8.074 12.821 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.603 12.263 2.171 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.643 13.656 1.617 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.069 13.912 2.651 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.840 11.834 1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.394 13.466 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.515 12.911 -0.017 1.00 0.00 H new ATOM 451 N ASN A 33 -10.334 16.988 -1.514 1.00 0.00 N ATOM 452 CA ASN A 33 -10.689 18.381 -1.759 1.00 0.00 C ATOM 453 C ASN A 33 -10.036 19.298 -0.730 1.00 0.00 C ATOM 454 O ASN A 33 -9.834 20.486 -0.981 1.00 0.00 O ATOM 455 CB ASN A 33 -12.208 18.555 -1.724 1.00 0.00 C ATOM 456 CG ASN A 33 -12.621 19.935 -1.248 1.00 0.00 C ATOM 457 OD1 ASN A 33 -12.096 20.947 -1.712 1.00 0.00 O ATOM 458 ND2 ASN A 33 -13.566 19.980 -0.315 1.00 0.00 N ATOM 0 H ASN A 33 -11.118 16.395 -1.241 1.00 0.00 H new ATOM 0 HA ASN A 33 -10.322 18.655 -2.748 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -12.614 18.381 -2.720 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -12.642 17.802 -1.067 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -13.884 20.880 0.046 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -13.973 19.115 0.041 1.00 0.00 H new ATOM 465 N SER A 34 -9.708 18.738 0.430 1.00 0.00 N ATOM 466 CA SER A 34 -9.081 19.506 1.499 1.00 0.00 C ATOM 467 C SER A 34 -8.183 18.615 2.353 1.00 0.00 C ATOM 468 O SER A 34 -8.508 17.458 2.616 1.00 0.00 O ATOM 469 CB SER A 34 -10.148 20.164 2.377 1.00 0.00 C ATOM 470 OG SER A 34 -9.578 21.154 3.216 1.00 0.00 O ATOM 0 H SER A 34 -9.866 17.755 0.653 1.00 0.00 H new ATOM 0 HA SER A 34 -8.466 20.282 1.043 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.915 20.614 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.640 19.406 2.986 1.00 0.00 H new ATOM 0 HG SER A 34 -10.280 21.561 3.766 1.00 0.00 H new ATOM 476 N ALA A 35 -7.052 19.165 2.783 1.00 0.00 N ATOM 477 CA ALA A 35 -6.107 18.422 3.608 1.00 0.00 C ATOM 478 C ALA A 35 -6.821 17.706 4.750 1.00 0.00 C ATOM 479 O ALA A 35 -7.413 18.343 5.620 1.00 0.00 O ATOM 480 CB ALA A 35 -5.037 19.355 4.155 1.00 0.00 C ATOM 0 H ALA A 35 -6.768 20.122 2.574 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.630 17.668 2.982 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.338 18.787 4.769 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.500 19.817 3.327 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.506 20.130 4.761 1.00 0.00 H new ATOM 486 N ALA A 36 -6.760 16.378 4.739 1.00 0.00 N ATOM 487 CA ALA A 36 -7.399 15.576 5.774 1.00 0.00 C ATOM 488 C ALA A 36 -6.861 14.149 5.774 1.00 0.00 C ATOM 489 O ALA A 36 -6.374 13.644 4.762 1.00 0.00 O ATOM 490 CB ALA A 36 -8.909 15.573 5.583 1.00 0.00 C ATOM 0 H ALA A 36 -6.274 15.836 4.025 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.167 16.024 6.740 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.373 14.970 6.363 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.285 16.594 5.642 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.151 15.153 4.607 1.00 0.00 H new ATOM 496 N PRO A 37 -6.950 13.482 6.934 1.00 0.00 N ATOM 497 CA PRO A 37 -6.476 12.104 7.093 1.00 0.00 C ATOM 498 C PRO A 37 -7.344 11.102 6.338 1.00 0.00 C ATOM 499 O PRO A 37 -8.349 11.471 5.730 1.00 0.00 O ATOM 500 CB PRO A 37 -6.575 11.867 8.602 1.00 0.00 C ATOM 501 CG PRO A 37 -7.629 12.812 9.066 1.00 0.00 C ATOM 502 CD PRO A 37 -7.519 14.022 8.180 1.00 0.00 C ATOM 0 HA PRO A 37 -5.472 11.969 6.692 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -6.844 10.834 8.824 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.623 12.062 9.097 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -8.618 12.361 8.990 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -7.480 13.079 10.112 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -8.491 14.485 8.010 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.875 14.784 8.619 1.00 0.00 H new ATOM 510 N VAL A 38 -6.949 9.834 6.382 1.00 0.00 N ATOM 511 CA VAL A 38 -7.692 8.779 5.703 1.00 0.00 C ATOM 512 C VAL A 38 -7.449 7.425 6.362 1.00 0.00 C ATOM 513 O VAL A 38 -6.716 7.325 7.345 1.00 0.00 O ATOM 514 CB VAL A 38 -7.306 8.689 4.215 1.00 0.00 C ATOM 515 CG1 VAL A 38 -7.667 9.978 3.491 1.00 0.00 C ATOM 516 CG2 VAL A 38 -5.824 8.381 4.066 1.00 0.00 C ATOM 0 H VAL A 38 -6.119 9.512 6.880 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.749 9.035 5.782 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.870 7.875 3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.387 9.896 2.441 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.741 10.150 3.568 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.132 10.812 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.569 8.321 3.008 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.239 9.172 4.536 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.600 7.429 4.547 1.00 0.00 H new ATOM 526 N GLU A 39 -8.069 6.386 5.812 1.00 0.00 N ATOM 527 CA GLU A 39 -7.920 5.038 6.348 1.00 0.00 C ATOM 528 C GLU A 39 -8.102 3.993 5.250 1.00 0.00 C ATOM 529 O GLU A 39 -9.214 3.761 4.777 1.00 0.00 O ATOM 530 CB GLU A 39 -8.933 4.795 7.469 1.00 0.00 C ATOM 531 CG GLU A 39 -8.652 3.543 8.282 1.00 0.00 C ATOM 532 CD GLU A 39 -9.399 3.525 9.602 1.00 0.00 C ATOM 533 OE1 GLU A 39 -10.614 3.237 9.593 1.00 0.00 O ATOM 534 OE2 GLU A 39 -8.768 3.799 10.644 1.00 0.00 O ATOM 0 H GLU A 39 -8.678 6.451 4.997 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.912 4.945 6.752 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.938 5.657 8.136 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -9.931 4.721 7.036 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.931 2.665 7.699 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.581 3.471 8.474 1.00 0.00 H new ATOM 541 N TRP A 40 -7.000 3.368 4.849 1.00 0.00 N ATOM 542 CA TRP A 40 -7.037 2.349 3.806 1.00 0.00 C ATOM 543 C TRP A 40 -7.601 1.039 4.345 1.00 0.00 C ATOM 544 O TRP A 40 -7.042 0.444 5.266 1.00 0.00 O ATOM 545 CB TRP A 40 -5.635 2.120 3.240 1.00 0.00 C ATOM 546 CG TRP A 40 -5.075 3.320 2.538 1.00 0.00 C ATOM 547 CD1 TRP A 40 -4.329 4.320 3.093 1.00 0.00 C ATOM 548 CD2 TRP A 40 -5.217 3.646 1.151 1.00 0.00 C ATOM 549 NE1 TRP A 40 -3.999 5.248 2.135 1.00 0.00 N ATOM 550 CE2 TRP A 40 -4.531 4.857 0.935 1.00 0.00 C ATOM 551 CE3 TRP A 40 -5.856 3.031 0.070 1.00 0.00 C ATOM 552 CZ2 TRP A 40 -4.469 5.464 -0.317 1.00 0.00 C ATOM 553 CZ3 TRP A 40 -5.793 3.635 -1.171 1.00 0.00 C ATOM 554 CH2 TRP A 40 -5.103 4.841 -1.357 1.00 0.00 C ATOM 0 H TRP A 40 -6.071 3.549 5.230 1.00 0.00 H new ATOM 0 HA TRP A 40 -7.690 2.703 3.009 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -4.965 1.837 4.052 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -5.664 1.282 2.544 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -4.041 4.374 4.132 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.447 6.091 2.292 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -6.389 2.101 0.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.939 6.394 -0.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -6.284 3.170 -2.013 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -5.071 5.287 -2.340 1.00 0.00 H new ATOM 565 N ARG A 41 -8.712 0.595 3.766 1.00 0.00 N ATOM 566 CA ARG A 41 -9.351 -0.645 4.189 1.00 0.00 C ATOM 567 C ARG A 41 -9.167 -1.738 3.140 1.00 0.00 C ATOM 568 O ARG A 41 -8.610 -1.498 2.069 1.00 0.00 O ATOM 569 CB ARG A 41 -10.842 -0.413 4.443 1.00 0.00 C ATOM 570 CG ARG A 41 -11.123 0.592 5.548 1.00 0.00 C ATOM 571 CD ARG A 41 -12.616 0.824 5.724 1.00 0.00 C ATOM 572 NE ARG A 41 -12.917 1.531 6.965 1.00 0.00 N ATOM 573 CZ ARG A 41 -13.048 0.927 8.141 1.00 0.00 C ATOM 574 NH1 ARG A 41 -12.904 -0.387 8.235 1.00 0.00 N ATOM 575 NH2 ARG A 41 -13.323 1.639 9.227 1.00 0.00 N ATOM 0 H ARG A 41 -9.188 1.076 3.003 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.877 -0.971 5.115 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.309 -0.067 3.521 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.310 -1.363 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -10.697 0.233 6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -10.632 1.537 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -12.996 1.398 4.879 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.135 -0.134 5.718 1.00 0.00 H new ATOM 0 HE ARG A 41 -13.033 2.544 6.927 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.692 -0.938 7.403 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -13.005 -0.848 9.139 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -13.434 2.651 9.159 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -13.423 1.174 10.129 1.00 0.00 H new ATOM 589 N LYS A 42 -9.637 -2.939 3.457 1.00 0.00 N ATOM 590 CA LYS A 42 -9.526 -4.070 2.543 1.00 0.00 C ATOM 591 C LYS A 42 -10.369 -5.246 3.026 1.00 0.00 C ATOM 592 O LYS A 42 -10.002 -5.937 3.975 1.00 0.00 O ATOM 593 CB LYS A 42 -8.063 -4.500 2.407 1.00 0.00 C ATOM 594 CG LYS A 42 -7.817 -5.466 1.261 1.00 0.00 C ATOM 595 CD LYS A 42 -6.713 -6.455 1.593 1.00 0.00 C ATOM 596 CE LYS A 42 -6.894 -7.765 0.842 1.00 0.00 C ATOM 597 NZ LYS A 42 -7.708 -8.741 1.619 1.00 0.00 N ATOM 0 H LYS A 42 -10.099 -3.155 4.340 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.899 -3.755 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -7.445 -3.614 2.263 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -7.742 -4.965 3.339 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -8.736 -6.007 1.036 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -7.549 -4.907 0.364 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.746 -6.020 1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -6.706 -6.647 2.666 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -7.376 -7.571 -0.116 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.917 -8.198 0.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.809 -9.621 1.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.235 -8.946 2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -8.649 -8.339 1.804 1.00 0.00 H new ATOM 611 N GLY A 43 -11.501 -5.467 2.366 1.00 0.00 N ATOM 612 CA GLY A 43 -12.378 -6.561 2.742 1.00 0.00 C ATOM 613 C GLY A 43 -13.055 -6.328 4.078 1.00 0.00 C ATOM 614 O GLY A 43 -13.060 -7.205 4.941 1.00 0.00 O ATOM 0 H GLY A 43 -11.827 -4.908 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -13.137 -6.695 1.972 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.802 -7.485 2.786 1.00 0.00 H new ATOM 618 N SER A 44 -13.628 -5.140 4.250 1.00 0.00 N ATOM 619 CA SER A 44 -14.306 -4.792 5.492 1.00 0.00 C ATOM 620 C SER A 44 -13.324 -4.767 6.660 1.00 0.00 C ATOM 621 O SER A 44 -13.698 -5.020 7.804 1.00 0.00 O ATOM 622 CB SER A 44 -15.433 -5.787 5.780 1.00 0.00 C ATOM 623 OG SER A 44 -14.971 -6.864 6.576 1.00 0.00 O ATOM 0 H SER A 44 -13.636 -4.403 3.544 1.00 0.00 H new ATOM 0 HA SER A 44 -14.732 -3.795 5.376 1.00 0.00 H new ATOM 0 HB2 SER A 44 -16.250 -5.278 6.291 1.00 0.00 H new ATOM 0 HB3 SER A 44 -15.833 -6.170 4.841 1.00 0.00 H new ATOM 0 HG SER A 44 -14.438 -7.474 6.024 1.00 0.00 H new ATOM 629 N GLU A 45 -12.066 -4.462 6.360 1.00 0.00 N ATOM 630 CA GLU A 45 -11.029 -4.405 7.384 1.00 0.00 C ATOM 631 C GLU A 45 -10.387 -3.022 7.432 1.00 0.00 C ATOM 632 O GLU A 45 -10.700 -2.150 6.621 1.00 0.00 O ATOM 633 CB GLU A 45 -9.960 -5.467 7.118 1.00 0.00 C ATOM 634 CG GLU A 45 -8.743 -4.934 6.380 1.00 0.00 C ATOM 635 CD GLU A 45 -7.656 -5.979 6.216 1.00 0.00 C ATOM 636 OE1 GLU A 45 -7.319 -6.645 7.217 1.00 0.00 O ATOM 637 OE2 GLU A 45 -7.144 -6.131 5.087 1.00 0.00 O ATOM 0 H GLU A 45 -11.740 -4.251 5.417 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.496 -4.603 8.349 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.640 -5.894 8.068 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.401 -6.277 6.537 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.047 -4.575 5.397 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.340 -4.078 6.922 1.00 0.00 H new ATOM 644 N THR A 46 -9.485 -2.827 8.390 1.00 0.00 N ATOM 645 CA THR A 46 -8.800 -1.551 8.546 1.00 0.00 C ATOM 646 C THR A 46 -7.287 -1.731 8.503 1.00 0.00 C ATOM 647 O THR A 46 -6.694 -2.312 9.414 1.00 0.00 O ATOM 648 CB THR A 46 -9.187 -0.864 9.869 1.00 0.00 C ATOM 649 OG1 THR A 46 -10.612 -0.812 9.995 1.00 0.00 O ATOM 650 CG2 THR A 46 -8.615 0.544 9.935 1.00 0.00 C ATOM 0 H THR A 46 -9.213 -3.538 9.069 1.00 0.00 H new ATOM 0 HA THR A 46 -9.112 -0.920 7.713 1.00 0.00 H new ATOM 0 HB THR A 46 -8.771 -1.447 10.691 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.850 -0.375 10.839 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.901 1.009 10.878 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.528 0.499 9.868 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.005 1.134 9.106 1.00 0.00 H new ATOM 658 N LEU A 47 -6.666 -1.228 7.442 1.00 0.00 N ATOM 659 CA LEU A 47 -5.219 -1.333 7.281 1.00 0.00 C ATOM 660 C LEU A 47 -4.497 -0.355 8.202 1.00 0.00 C ATOM 661 O LEU A 47 -5.107 0.563 8.751 1.00 0.00 O ATOM 662 CB LEU A 47 -4.827 -1.066 5.827 1.00 0.00 C ATOM 663 CG LEU A 47 -5.660 -1.784 4.765 1.00 0.00 C ATOM 664 CD1 LEU A 47 -5.480 -1.122 3.407 1.00 0.00 C ATOM 665 CD2 LEU A 47 -5.282 -3.257 4.697 1.00 0.00 C ATOM 0 H LEU A 47 -7.141 -0.744 6.680 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.921 -2.346 7.551 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -4.890 0.007 5.646 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.783 -1.350 5.695 1.00 0.00 H new ATOM 0 HG LEU A 47 -6.711 -1.711 5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.080 -1.647 2.664 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.801 -0.082 3.464 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.430 -1.162 3.119 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.885 -3.753 3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.226 -3.350 4.442 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -5.464 -3.724 5.665 1.00 0.00 H new ATOM 677 N ARG A 48 -3.194 -0.557 8.366 1.00 0.00 N ATOM 678 CA ARG A 48 -2.388 0.308 9.220 1.00 0.00 C ATOM 679 C ARG A 48 -0.948 0.378 8.718 1.00 0.00 C ATOM 680 O ARG A 48 -0.435 -0.579 8.139 1.00 0.00 O ATOM 681 CB ARG A 48 -2.412 -0.199 10.663 1.00 0.00 C ATOM 682 CG ARG A 48 -3.771 -0.066 11.332 1.00 0.00 C ATOM 683 CD ARG A 48 -4.060 1.374 11.726 1.00 0.00 C ATOM 684 NE ARG A 48 -4.945 1.457 12.885 1.00 0.00 N ATOM 685 CZ ARG A 48 -5.672 2.529 13.179 1.00 0.00 C ATOM 686 NH1 ARG A 48 -5.619 3.603 12.403 1.00 0.00 N ATOM 687 NH2 ARG A 48 -6.454 2.528 14.251 1.00 0.00 N ATOM 0 H ARG A 48 -2.674 -1.312 7.919 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.816 1.310 9.187 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -2.111 -1.246 10.676 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -1.674 0.353 11.245 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.547 -0.422 10.655 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.805 -0.700 12.218 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -3.123 1.884 11.948 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.515 1.896 10.884 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.008 0.647 13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.019 3.607 11.578 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.178 4.425 12.631 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -6.497 1.704 14.850 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.012 3.352 14.476 1.00 0.00 H new ATOM 701 N ASP A 49 -0.303 1.517 8.945 1.00 0.00 N ATOM 702 CA ASP A 49 1.077 1.712 8.517 1.00 0.00 C ATOM 703 C ASP A 49 2.041 0.960 9.430 1.00 0.00 C ATOM 704 O ASP A 49 1.871 0.941 10.648 1.00 0.00 O ATOM 705 CB ASP A 49 1.424 3.202 8.506 1.00 0.00 C ATOM 706 CG ASP A 49 2.689 3.496 7.724 1.00 0.00 C ATOM 707 OD1 ASP A 49 3.490 2.560 7.518 1.00 0.00 O ATOM 708 OD2 ASP A 49 2.878 4.661 7.318 1.00 0.00 O ATOM 0 H ASP A 49 -0.714 2.319 9.423 1.00 0.00 H new ATOM 0 HA ASP A 49 1.177 1.315 7.507 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.595 3.762 8.074 1.00 0.00 H new ATOM 0 HB3 ASP A 49 1.545 3.552 9.531 1.00 0.00 H new ATOM 713 N GLY A 50 3.053 0.339 8.831 1.00 0.00 N ATOM 714 CA GLY A 50 4.027 -0.407 9.605 1.00 0.00 C ATOM 715 C GLY A 50 5.285 -0.710 8.815 1.00 0.00 C ATOM 716 O GLY A 50 5.987 0.203 8.379 1.00 0.00 O ATOM 0 H GLY A 50 3.215 0.340 7.824 1.00 0.00 H new ATOM 0 HA2 GLY A 50 4.290 0.161 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 50 3.580 -1.342 9.943 1.00 0.00 H new ATOM 720 N ASP A 51 5.573 -1.994 8.633 1.00 0.00 N ATOM 721 CA ASP A 51 6.756 -2.415 7.891 1.00 0.00 C ATOM 722 C ASP A 51 6.402 -2.740 6.443 1.00 0.00 C ATOM 723 O ASP A 51 6.850 -2.064 5.517 1.00 0.00 O ATOM 724 CB ASP A 51 7.396 -3.632 8.559 1.00 0.00 C ATOM 725 CG ASP A 51 8.455 -3.247 9.573 1.00 0.00 C ATOM 726 OD1 ASP A 51 9.478 -2.656 9.168 1.00 0.00 O ATOM 727 OD2 ASP A 51 8.260 -3.534 10.773 1.00 0.00 O ATOM 0 H ASP A 51 5.003 -2.762 8.989 1.00 0.00 H new ATOM 0 HA ASP A 51 7.470 -1.591 7.895 1.00 0.00 H new ATOM 0 HB2 ASP A 51 6.622 -4.221 9.052 1.00 0.00 H new ATOM 0 HB3 ASP A 51 7.843 -4.269 7.795 1.00 0.00 H new ATOM 732 N ARG A 52 5.596 -3.781 6.256 1.00 0.00 N ATOM 733 CA ARG A 52 5.184 -4.197 4.921 1.00 0.00 C ATOM 734 C ARG A 52 4.314 -3.131 4.263 1.00 0.00 C ATOM 735 O ARG A 52 4.336 -2.963 3.043 1.00 0.00 O ATOM 736 CB ARG A 52 4.422 -5.522 4.990 1.00 0.00 C ATOM 737 CG ARG A 52 5.322 -6.736 5.147 1.00 0.00 C ATOM 738 CD ARG A 52 4.574 -8.026 4.851 1.00 0.00 C ATOM 739 NE ARG A 52 5.256 -9.193 5.404 1.00 0.00 N ATOM 740 CZ ARG A 52 4.643 -10.337 5.688 1.00 0.00 C ATOM 741 NH1 ARG A 52 3.342 -10.467 5.471 1.00 0.00 N ATOM 742 NH2 ARG A 52 5.333 -11.354 6.188 1.00 0.00 N ATOM 0 H ARG A 52 5.216 -4.351 7.012 1.00 0.00 H new ATOM 0 HA ARG A 52 6.081 -4.332 4.317 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.725 -5.487 5.827 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.827 -5.636 4.084 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.176 -6.647 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.717 -6.768 6.162 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.567 -7.965 5.265 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.469 -8.145 3.773 1.00 0.00 H new ATOM 0 HE ARG A 52 6.258 -9.126 5.582 1.00 0.00 H new ATOM 0 HH11 ARG A 52 2.809 -9.688 5.085 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.874 -11.346 5.690 1.00 0.00 H new ATOM 0 HH21 ARG A 52 6.335 -11.258 6.355 1.00 0.00 H new ATOM 0 HH22 ARG A 52 4.862 -12.232 6.406 1.00 0.00 H new ATOM 756 N TYR A 53 3.550 -2.412 5.078 1.00 0.00 N ATOM 757 CA TYR A 53 2.671 -1.364 4.575 1.00 0.00 C ATOM 758 C TYR A 53 3.302 0.012 4.759 1.00 0.00 C ATOM 759 O TYR A 53 4.237 0.179 5.543 1.00 0.00 O ATOM 760 CB TYR A 53 1.319 -1.417 5.289 1.00 0.00 C ATOM 761 CG TYR A 53 0.488 -2.626 4.924 1.00 0.00 C ATOM 762 CD1 TYR A 53 0.848 -3.897 5.354 1.00 0.00 C ATOM 763 CD2 TYR A 53 -0.658 -2.497 4.149 1.00 0.00 C ATOM 764 CE1 TYR A 53 0.092 -5.004 5.022 1.00 0.00 C ATOM 765 CE2 TYR A 53 -1.421 -3.599 3.813 1.00 0.00 C ATOM 766 CZ TYR A 53 -1.041 -4.851 4.252 1.00 0.00 C ATOM 767 OH TYR A 53 -1.798 -5.951 3.920 1.00 0.00 O ATOM 0 H TYR A 53 3.522 -2.536 6.090 1.00 0.00 H new ATOM 0 HA TYR A 53 2.519 -1.534 3.509 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.486 -1.413 6.366 1.00 0.00 H new ATOM 0 HB3 TYR A 53 0.756 -0.514 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.734 -4.022 5.958 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.958 -1.519 3.803 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.387 -5.985 5.364 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.309 -3.481 3.210 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.562 -5.670 3.375 1.00 0.00 H new ATOM 777 N SER A 54 2.784 0.997 4.031 1.00 0.00 N ATOM 778 CA SER A 54 3.299 2.359 4.111 1.00 0.00 C ATOM 779 C SER A 54 2.226 3.368 3.713 1.00 0.00 C ATOM 780 O SER A 54 1.905 3.519 2.534 1.00 0.00 O ATOM 781 CB SER A 54 4.524 2.517 3.209 1.00 0.00 C ATOM 782 OG SER A 54 5.344 1.362 3.256 1.00 0.00 O ATOM 0 H SER A 54 2.008 0.877 3.380 1.00 0.00 H new ATOM 0 HA SER A 54 3.590 2.552 5.143 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.203 2.698 2.183 1.00 0.00 H new ATOM 0 HB3 SER A 54 5.100 3.388 3.521 1.00 0.00 H new ATOM 0 HG SER A 54 6.119 1.487 2.670 1.00 0.00 H new ATOM 788 N LEU A 55 1.675 4.059 4.706 1.00 0.00 N ATOM 789 CA LEU A 55 0.639 5.055 4.461 1.00 0.00 C ATOM 790 C LEU A 55 1.217 6.466 4.507 1.00 0.00 C ATOM 791 O LEU A 55 1.456 7.014 5.583 1.00 0.00 O ATOM 792 CB LEU A 55 -0.482 4.918 5.493 1.00 0.00 C ATOM 793 CG LEU A 55 -1.331 3.650 5.397 1.00 0.00 C ATOM 794 CD1 LEU A 55 -0.505 2.425 5.758 1.00 0.00 C ATOM 795 CD2 LEU A 55 -2.553 3.756 6.298 1.00 0.00 C ATOM 0 H LEU A 55 1.929 3.947 5.688 1.00 0.00 H new ATOM 0 HA LEU A 55 0.232 4.881 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -0.040 4.961 6.488 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.142 5.781 5.400 1.00 0.00 H new ATOM 0 HG LEU A 55 -1.672 3.542 4.367 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -1.126 1.532 5.684 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.337 2.339 5.071 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -0.133 2.525 6.778 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.145 2.845 6.217 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.233 3.890 7.331 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -3.157 4.610 5.992 1.00 0.00 H new ATOM 807 N ARG A 56 1.438 7.048 3.333 1.00 0.00 N ATOM 808 CA ARG A 56 1.988 8.395 3.239 1.00 0.00 C ATOM 809 C ARG A 56 0.898 9.403 2.888 1.00 0.00 C ATOM 810 O ARG A 56 -0.249 9.031 2.643 1.00 0.00 O ATOM 811 CB ARG A 56 3.100 8.443 2.190 1.00 0.00 C ATOM 812 CG ARG A 56 4.328 7.630 2.566 1.00 0.00 C ATOM 813 CD ARG A 56 5.216 7.372 1.358 1.00 0.00 C ATOM 814 NE ARG A 56 6.515 6.826 1.742 1.00 0.00 N ATOM 815 CZ ARG A 56 7.625 7.006 1.035 1.00 0.00 C ATOM 816 NH1 ARG A 56 7.595 7.715 -0.085 1.00 0.00 N ATOM 817 NH2 ARG A 56 8.770 6.478 1.449 1.00 0.00 N ATOM 0 H ARG A 56 1.245 6.608 2.433 1.00 0.00 H new ATOM 0 HA ARG A 56 2.404 8.660 4.211 1.00 0.00 H new ATOM 0 HB2 ARG A 56 2.709 8.076 1.241 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.396 9.480 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.896 8.160 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 56 4.018 6.680 3.001 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.716 6.678 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.361 8.303 0.809 1.00 0.00 H new ATOM 0 HE ARG A 56 6.573 6.277 2.600 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.718 8.124 -0.406 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.449 7.851 -0.625 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.798 5.933 2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.622 6.617 0.905 1.00 0.00 H new ATOM 831 N GLN A 57 1.265 10.681 2.867 1.00 0.00 N ATOM 832 CA GLN A 57 0.318 11.742 2.547 1.00 0.00 C ATOM 833 C GLN A 57 1.040 13.067 2.327 1.00 0.00 C ATOM 834 O GLN A 57 1.979 13.402 3.049 1.00 0.00 O ATOM 835 CB GLN A 57 -0.713 11.890 3.668 1.00 0.00 C ATOM 836 CG GLN A 57 -1.739 12.981 3.411 1.00 0.00 C ATOM 837 CD GLN A 57 -2.531 13.341 4.652 1.00 0.00 C ATOM 838 OE1 GLN A 57 -3.811 12.987 4.661 1.00 0.00 O flip ATOM 839 NE2 GLN A 57 -1.999 13.931 5.594 1.00 0.00 N flip ATOM 0 H GLN A 57 2.211 11.006 3.068 1.00 0.00 H new ATOM 0 HA GLN A 57 -0.195 11.470 1.624 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -1.231 10.940 3.802 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.194 12.104 4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.232 13.871 3.037 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -2.424 12.653 2.630 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.012 14.184 5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.545 14.166 6.423 1.00 0.00 H new ATOM 848 N ASP A 58 0.596 13.818 1.325 1.00 0.00 N ATOM 849 CA ASP A 58 1.199 15.107 1.010 1.00 0.00 C ATOM 850 C ASP A 58 0.131 16.189 0.877 1.00 0.00 C ATOM 851 O ASP A 58 -0.229 16.588 -0.229 1.00 0.00 O ATOM 852 CB ASP A 58 2.009 15.013 -0.284 1.00 0.00 C ATOM 853 CG ASP A 58 2.919 16.208 -0.486 1.00 0.00 C ATOM 854 OD1 ASP A 58 2.511 17.332 -0.126 1.00 0.00 O ATOM 855 OD2 ASP A 58 4.039 16.021 -1.006 1.00 0.00 O ATOM 0 H ASP A 58 -0.180 13.556 0.717 1.00 0.00 H new ATOM 0 HA ASP A 58 1.866 15.377 1.829 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.608 14.102 -0.269 1.00 0.00 H new ATOM 0 HB3 ASP A 58 1.327 14.932 -1.131 1.00 0.00 H new ATOM 860 N GLY A 59 -0.372 16.659 2.015 1.00 0.00 N ATOM 861 CA GLY A 59 -1.395 17.689 2.004 1.00 0.00 C ATOM 862 C GLY A 59 -2.789 17.120 1.833 1.00 0.00 C ATOM 863 O GLY A 59 -3.484 16.851 2.814 1.00 0.00 O ATOM 0 H GLY A 59 -0.090 16.345 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -1.348 18.253 2.935 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.191 18.391 1.195 1.00 0.00 H new ATOM 867 N THR A 60 -3.202 16.936 0.583 1.00 0.00 N ATOM 868 CA THR A 60 -4.524 16.398 0.286 1.00 0.00 C ATOM 869 C THR A 60 -4.424 15.028 -0.375 1.00 0.00 C ATOM 870 O THR A 60 -5.365 14.235 -0.329 1.00 0.00 O ATOM 871 CB THR A 60 -5.321 17.342 -0.633 1.00 0.00 C ATOM 872 OG1 THR A 60 -4.555 17.648 -1.804 1.00 0.00 O ATOM 873 CG2 THR A 60 -5.682 18.628 0.094 1.00 0.00 C ATOM 0 H THR A 60 -2.640 17.152 -0.240 1.00 0.00 H new ATOM 0 HA THR A 60 -5.047 16.302 1.237 1.00 0.00 H new ATOM 0 HB THR A 60 -6.242 16.838 -0.924 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.069 18.247 -2.384 1.00 0.00 H new ATOM 0 HG21 THR A 60 -6.245 19.279 -0.575 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.290 18.394 0.968 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.771 19.135 0.411 1.00 0.00 H new ATOM 881 N LYS A 61 -3.278 14.754 -0.988 1.00 0.00 N ATOM 882 CA LYS A 61 -3.054 13.478 -1.658 1.00 0.00 C ATOM 883 C LYS A 61 -2.553 12.427 -0.672 1.00 0.00 C ATOM 884 O LYS A 61 -1.862 12.749 0.295 1.00 0.00 O ATOM 885 CB LYS A 61 -2.044 13.646 -2.796 1.00 0.00 C ATOM 886 CG LYS A 61 -2.519 14.578 -3.897 1.00 0.00 C ATOM 887 CD LYS A 61 -1.354 15.134 -4.698 1.00 0.00 C ATOM 888 CE LYS A 61 -0.716 16.325 -4.001 1.00 0.00 C ATOM 889 NZ LYS A 61 -1.485 17.580 -4.231 1.00 0.00 N ATOM 0 H LYS A 61 -2.489 15.399 -1.035 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.005 13.141 -2.071 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.108 14.027 -2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.828 12.668 -3.227 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.196 14.042 -4.562 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.086 15.400 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.607 14.354 -4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.701 15.433 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -0.653 16.129 -2.931 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.305 16.453 -4.362 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -0.888 18.266 -4.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.329 17.370 -4.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.776 17.981 -3.317 1.00 0.00 H new ATOM 903 N CYS A 62 -2.906 11.171 -0.923 1.00 0.00 N ATOM 904 CA CYS A 62 -2.492 10.073 -0.057 1.00 0.00 C ATOM 905 C CYS A 62 -1.811 8.972 -0.864 1.00 0.00 C ATOM 906 O CYS A 62 -1.828 8.990 -2.094 1.00 0.00 O ATOM 907 CB CYS A 62 -3.699 9.502 0.690 1.00 0.00 C ATOM 908 SG CYS A 62 -4.620 10.727 1.649 1.00 0.00 S ATOM 0 H CYS A 62 -3.478 10.888 -1.719 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.777 10.463 0.667 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.373 9.039 -0.031 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.358 8.713 1.360 1.00 0.00 H new ATOM 0 HG CYS A 62 -5.789 10.910 1.111 1.00 0.00 H new ATOM 914 N GLU A 63 -1.211 8.016 -0.162 1.00 0.00 N ATOM 915 CA GLU A 63 -0.521 6.909 -0.814 1.00 0.00 C ATOM 916 C GLU A 63 -0.362 5.729 0.141 1.00 0.00 C ATOM 917 O GLU A 63 0.128 5.884 1.261 1.00 0.00 O ATOM 918 CB GLU A 63 0.851 7.360 -1.318 1.00 0.00 C ATOM 919 CG GLU A 63 1.718 6.219 -1.824 1.00 0.00 C ATOM 920 CD GLU A 63 3.047 6.697 -2.376 1.00 0.00 C ATOM 921 OE1 GLU A 63 3.566 7.717 -1.876 1.00 0.00 O ATOM 922 OE2 GLU A 63 3.568 6.051 -3.309 1.00 0.00 O ATOM 0 H GLU A 63 -1.189 7.986 0.857 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.124 6.588 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.714 8.085 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.375 7.873 -0.511 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.898 5.516 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.180 5.676 -2.601 1.00 0.00 H new ATOM 929 N LEU A 64 -0.780 4.551 -0.308 1.00 0.00 N ATOM 930 CA LEU A 64 -0.685 3.344 0.506 1.00 0.00 C ATOM 931 C LEU A 64 0.007 2.223 -0.262 1.00 0.00 C ATOM 932 O LEU A 64 -0.469 1.791 -1.312 1.00 0.00 O ATOM 933 CB LEU A 64 -2.078 2.892 0.946 1.00 0.00 C ATOM 934 CG LEU A 64 -2.136 1.606 1.772 1.00 0.00 C ATOM 935 CD1 LEU A 64 -2.321 0.398 0.866 1.00 0.00 C ATOM 936 CD2 LEU A 64 -0.878 1.456 2.614 1.00 0.00 C ATOM 0 H LEU A 64 -1.188 4.406 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 64 -0.089 3.576 1.389 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.532 3.695 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.692 2.757 0.056 1.00 0.00 H new ATOM 0 HG LEU A 64 -2.993 1.666 2.443 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -2.360 -0.508 1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.251 0.501 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -1.485 0.334 0.170 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.937 0.536 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.006 1.418 1.961 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.789 2.307 3.290 1.00 0.00 H new ATOM 948 N GLN A 65 1.132 1.755 0.269 1.00 0.00 N ATOM 949 CA GLN A 65 1.888 0.683 -0.366 1.00 0.00 C ATOM 950 C GLN A 65 1.757 -0.616 0.422 1.00 0.00 C ATOM 951 O GLN A 65 1.837 -0.619 1.651 1.00 0.00 O ATOM 952 CB GLN A 65 3.362 1.073 -0.488 1.00 0.00 C ATOM 953 CG GLN A 65 3.679 1.871 -1.743 1.00 0.00 C ATOM 954 CD GLN A 65 5.167 2.070 -1.948 1.00 0.00 C ATOM 955 OE1 GLN A 65 5.822 1.286 -2.635 1.00 0.00 O ATOM 956 NE2 GLN A 65 5.711 3.125 -1.351 1.00 0.00 N ATOM 0 H GLN A 65 1.540 2.102 1.137 1.00 0.00 H new ATOM 0 HA GLN A 65 1.478 0.524 -1.363 1.00 0.00 H new ATOM 0 HB2 GLN A 65 3.648 1.658 0.386 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.970 0.169 -0.479 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.262 1.358 -2.610 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.191 2.844 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 65 5.131 3.749 -0.791 1.00 0.00 H new ATOM 0 HE22 GLN A 65 6.709 3.311 -1.453 1.00 0.00 H new ATOM 965 N ILE A 66 1.556 -1.718 -0.293 1.00 0.00 N ATOM 966 CA ILE A 66 1.415 -3.024 0.340 1.00 0.00 C ATOM 967 C ILE A 66 2.518 -3.975 -0.111 1.00 0.00 C ATOM 968 O ILE A 66 2.397 -4.639 -1.140 1.00 0.00 O ATOM 969 CB ILE A 66 0.047 -3.657 0.026 1.00 0.00 C ATOM 970 CG1 ILE A 66 -1.082 -2.691 0.392 1.00 0.00 C ATOM 971 CG2 ILE A 66 -0.112 -4.973 0.773 1.00 0.00 C ATOM 972 CD1 ILE A 66 -2.367 -2.949 -0.364 1.00 0.00 C ATOM 0 H ILE A 66 1.487 -1.733 -1.311 1.00 0.00 H new ATOM 0 HA ILE A 66 1.494 -2.864 1.415 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.006 -3.860 -1.044 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.279 -2.763 1.462 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.754 -1.670 0.196 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -1.084 -5.408 0.541 1.00 0.00 H new ATOM 0 HG22 ILE A 66 0.676 -5.662 0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -0.042 -4.793 1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.123 -2.227 -0.054 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -2.186 -2.848 -1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.719 -3.958 -0.149 1.00 0.00 H new ATOM 984 N ARG A 67 3.593 -4.037 0.668 1.00 0.00 N ATOM 985 CA ARG A 67 4.718 -4.909 0.350 1.00 0.00 C ATOM 986 C ARG A 67 4.394 -6.361 0.688 1.00 0.00 C ATOM 987 O ARG A 67 3.865 -6.656 1.759 1.00 0.00 O ATOM 988 CB ARG A 67 5.967 -4.463 1.112 1.00 0.00 C ATOM 989 CG ARG A 67 6.391 -3.036 0.806 1.00 0.00 C ATOM 990 CD ARG A 67 7.331 -2.493 1.871 1.00 0.00 C ATOM 991 NE ARG A 67 8.205 -1.447 1.348 1.00 0.00 N ATOM 992 CZ ARG A 67 9.348 -1.692 0.716 1.00 0.00 C ATOM 993 NH1 ARG A 67 9.752 -2.941 0.530 1.00 0.00 N ATOM 994 NH2 ARG A 67 10.089 -0.686 0.269 1.00 0.00 N ATOM 0 H ARG A 67 3.709 -3.494 1.524 1.00 0.00 H new ATOM 0 HA ARG A 67 4.909 -4.838 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 67 5.782 -4.556 2.182 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.789 -5.137 0.871 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.883 -3.002 -0.166 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.509 -2.400 0.739 1.00 0.00 H new ATOM 0 HD2 ARG A 67 6.747 -2.096 2.701 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.937 -3.307 2.268 1.00 0.00 H new ATOM 0 HE ARG A 67 7.923 -0.475 1.475 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.185 -3.717 0.872 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.630 -3.126 0.045 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.781 0.276 0.410 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.966 -0.875 -0.216 1.00 0.00 H new ATOM 1008 N GLY A 68 4.715 -7.264 -0.234 1.00 0.00 N ATOM 1009 CA GLY A 68 4.450 -8.674 -0.015 1.00 0.00 C ATOM 1010 C GLY A 68 3.138 -9.119 -0.630 1.00 0.00 C ATOM 1011 O GLY A 68 2.358 -9.834 0.001 1.00 0.00 O ATOM 0 H GLY A 68 5.154 -7.044 -1.128 1.00 0.00 H new ATOM 0 HA2 GLY A 68 5.264 -9.263 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 68 4.433 -8.875 1.056 1.00 0.00 H new ATOM 1015 N LEU A 69 2.891 -8.696 -1.865 1.00 0.00 N ATOM 1016 CA LEU A 69 1.663 -9.054 -2.566 1.00 0.00 C ATOM 1017 C LEU A 69 1.598 -10.557 -2.817 1.00 0.00 C ATOM 1018 O LEU A 69 2.624 -11.208 -3.013 1.00 0.00 O ATOM 1019 CB LEU A 69 1.571 -8.299 -3.893 1.00 0.00 C ATOM 1020 CG LEU A 69 1.114 -6.842 -3.806 1.00 0.00 C ATOM 1021 CD1 LEU A 69 1.258 -6.157 -5.156 1.00 0.00 C ATOM 1022 CD2 LEU A 69 -0.324 -6.763 -3.316 1.00 0.00 C ATOM 0 H LEU A 69 3.525 -8.104 -2.402 1.00 0.00 H new ATOM 0 HA LEU A 69 0.819 -8.773 -1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.550 -8.324 -4.371 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.884 -8.836 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 69 1.750 -6.323 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.928 -5.121 -5.075 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.302 -6.182 -5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.647 -6.676 -5.894 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.633 -5.719 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.974 -7.297 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.397 -7.216 -2.327 1.00 0.00 H new ATOM 1034 N ALA A 70 0.385 -11.101 -2.812 1.00 0.00 N ATOM 1035 CA ALA A 70 0.186 -12.526 -3.043 1.00 0.00 C ATOM 1036 C ALA A 70 -1.246 -12.817 -3.476 1.00 0.00 C ATOM 1037 O ALA A 70 -2.104 -11.936 -3.447 1.00 0.00 O ATOM 1038 CB ALA A 70 0.532 -13.318 -1.790 1.00 0.00 C ATOM 0 H ALA A 70 -0.474 -10.576 -2.650 1.00 0.00 H new ATOM 0 HA ALA A 70 0.852 -12.834 -3.849 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.379 -14.381 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.575 -13.143 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.109 -12.998 -0.969 1.00 0.00 H new ATOM 1044 N MET A 71 -1.497 -14.059 -3.878 1.00 0.00 N ATOM 1045 CA MET A 71 -2.827 -14.466 -4.317 1.00 0.00 C ATOM 1046 C MET A 71 -3.874 -14.138 -3.257 1.00 0.00 C ATOM 1047 O MET A 71 -5.026 -13.849 -3.577 1.00 0.00 O ATOM 1048 CB MET A 71 -2.850 -15.964 -4.626 1.00 0.00 C ATOM 1049 CG MET A 71 -2.180 -16.323 -5.943 1.00 0.00 C ATOM 1050 SD MET A 71 -3.327 -16.304 -7.334 1.00 0.00 S ATOM 1051 CE MET A 71 -2.996 -14.684 -8.023 1.00 0.00 C ATOM 0 H MET A 71 -0.797 -14.801 -3.909 1.00 0.00 H new ATOM 0 HA MET A 71 -3.068 -13.912 -5.224 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.354 -16.501 -3.817 1.00 0.00 H new ATOM 0 HB3 MET A 71 -3.885 -16.306 -4.649 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.369 -15.621 -6.137 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.732 -17.313 -5.860 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.275 -14.673 -9.077 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.577 -13.934 -7.486 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.934 -14.458 -7.926 1.00 0.00 H new ATOM 1061 N ALA A 72 -3.464 -14.184 -1.993 1.00 0.00 N ATOM 1062 CA ALA A 72 -4.366 -13.890 -0.886 1.00 0.00 C ATOM 1063 C ALA A 72 -4.686 -12.401 -0.820 1.00 0.00 C ATOM 1064 O ALA A 72 -5.829 -12.012 -0.579 1.00 0.00 O ATOM 1065 CB ALA A 72 -3.760 -14.361 0.427 1.00 0.00 C ATOM 0 H ALA A 72 -2.513 -14.422 -1.711 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.299 -14.428 -1.056 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.444 -14.135 1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -3.589 -15.437 0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.812 -13.849 0.595 1.00 0.00 H new ATOM 1071 N ASP A 73 -3.670 -11.572 -1.034 1.00 0.00 N ATOM 1072 CA ASP A 73 -3.844 -10.124 -0.998 1.00 0.00 C ATOM 1073 C ASP A 73 -4.922 -9.682 -1.983 1.00 0.00 C ATOM 1074 O ASP A 73 -5.654 -8.724 -1.731 1.00 0.00 O ATOM 1075 CB ASP A 73 -2.524 -9.423 -1.320 1.00 0.00 C ATOM 1076 CG ASP A 73 -1.384 -9.902 -0.442 1.00 0.00 C ATOM 1077 OD1 ASP A 73 -1.253 -11.131 -0.260 1.00 0.00 O ATOM 1078 OD2 ASP A 73 -0.625 -9.049 0.063 1.00 0.00 O ATOM 0 H ASP A 73 -2.718 -11.878 -1.234 1.00 0.00 H new ATOM 0 HA ASP A 73 -4.159 -9.845 0.007 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -2.270 -9.595 -2.366 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.647 -8.347 -1.195 1.00 0.00 H new ATOM 1083 N THR A 74 -5.015 -10.387 -3.106 1.00 0.00 N ATOM 1084 CA THR A 74 -6.002 -10.066 -4.130 1.00 0.00 C ATOM 1085 C THR A 74 -7.373 -9.814 -3.512 1.00 0.00 C ATOM 1086 O THR A 74 -8.064 -10.748 -3.108 1.00 0.00 O ATOM 1087 CB THR A 74 -6.121 -11.196 -5.170 1.00 0.00 C ATOM 1088 OG1 THR A 74 -4.818 -11.584 -5.621 1.00 0.00 O ATOM 1089 CG2 THR A 74 -6.963 -10.753 -6.357 1.00 0.00 C ATOM 0 H THR A 74 -4.419 -11.184 -3.330 1.00 0.00 H new ATOM 0 HA THR A 74 -5.658 -9.159 -4.627 1.00 0.00 H new ATOM 0 HB THR A 74 -6.610 -12.047 -4.696 1.00 0.00 H new ATOM 0 HG1 THR A 74 -4.496 -12.336 -5.081 1.00 0.00 H new ATOM 0 HG21 THR A 74 -7.033 -11.568 -7.078 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.962 -10.485 -6.014 1.00 0.00 H new ATOM 0 HG23 THR A 74 -6.498 -9.888 -6.830 1.00 0.00 H new ATOM 1097 N GLY A 75 -7.762 -8.544 -3.443 1.00 0.00 N ATOM 1098 CA GLY A 75 -9.049 -8.192 -2.874 1.00 0.00 C ATOM 1099 C GLY A 75 -9.495 -6.797 -3.265 1.00 0.00 C ATOM 1100 O GLY A 75 -9.101 -6.284 -4.312 1.00 0.00 O ATOM 0 H GLY A 75 -7.208 -7.753 -3.771 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -9.797 -8.914 -3.201 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -8.993 -8.261 -1.788 1.00 0.00 H new ATOM 1104 N GLU A 76 -10.319 -6.183 -2.423 1.00 0.00 N ATOM 1105 CA GLU A 76 -10.820 -4.839 -2.689 1.00 0.00 C ATOM 1106 C GLU A 76 -10.475 -3.893 -1.542 1.00 0.00 C ATOM 1107 O GLU A 76 -10.786 -4.166 -0.383 1.00 0.00 O ATOM 1108 CB GLU A 76 -12.335 -4.869 -2.902 1.00 0.00 C ATOM 1109 CG GLU A 76 -12.972 -3.490 -2.935 1.00 0.00 C ATOM 1110 CD GLU A 76 -14.487 -3.546 -2.913 1.00 0.00 C ATOM 1111 OE1 GLU A 76 -15.080 -3.963 -3.930 1.00 0.00 O ATOM 1112 OE2 GLU A 76 -15.080 -3.173 -1.879 1.00 0.00 O ATOM 0 H GLU A 76 -10.654 -6.594 -1.551 1.00 0.00 H new ATOM 0 HA GLU A 76 -10.340 -4.472 -3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -12.552 -5.383 -3.839 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -12.794 -5.453 -2.104 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -12.621 -2.911 -2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -12.645 -2.964 -3.832 1.00 0.00 H new ATOM 1119 N TYR A 77 -9.830 -2.781 -1.875 1.00 0.00 N ATOM 1120 CA TYR A 77 -9.439 -1.795 -0.875 1.00 0.00 C ATOM 1121 C TYR A 77 -10.285 -0.531 -0.995 1.00 0.00 C ATOM 1122 O TYR A 77 -10.742 -0.178 -2.082 1.00 0.00 O ATOM 1123 CB TYR A 77 -7.957 -1.446 -1.024 1.00 0.00 C ATOM 1124 CG TYR A 77 -7.040 -2.645 -0.932 1.00 0.00 C ATOM 1125 CD1 TYR A 77 -7.080 -3.649 -1.892 1.00 0.00 C ATOM 1126 CD2 TYR A 77 -6.136 -2.774 0.114 1.00 0.00 C ATOM 1127 CE1 TYR A 77 -6.245 -4.746 -1.813 1.00 0.00 C ATOM 1128 CE2 TYR A 77 -5.296 -3.868 0.201 1.00 0.00 C ATOM 1129 CZ TYR A 77 -5.354 -4.851 -0.765 1.00 0.00 C ATOM 1130 OH TYR A 77 -4.520 -5.942 -0.681 1.00 0.00 O ATOM 0 H TYR A 77 -9.567 -2.540 -2.830 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.606 -2.230 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.803 -0.954 -1.985 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -7.682 -0.729 -0.251 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -7.776 -3.570 -2.714 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.088 -2.007 0.872 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -6.289 -5.518 -2.567 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -4.598 -3.953 1.021 1.00 0.00 H new ATOM 0 HH TYR A 77 -4.976 -6.731 -1.041 1.00 0.00 H new ATOM 1140 N SER A 78 -10.489 0.146 0.130 1.00 0.00 N ATOM 1141 CA SER A 78 -11.283 1.369 0.154 1.00 0.00 C ATOM 1142 C SER A 78 -10.634 2.420 1.049 1.00 0.00 C ATOM 1143 O SER A 78 -10.419 2.191 2.240 1.00 0.00 O ATOM 1144 CB SER A 78 -12.702 1.072 0.642 1.00 0.00 C ATOM 1145 OG SER A 78 -13.211 -0.106 0.042 1.00 0.00 O ATOM 0 H SER A 78 -10.115 -0.132 1.038 1.00 0.00 H new ATOM 0 HA SER A 78 -11.331 1.762 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 78 -12.701 0.961 1.726 1.00 0.00 H new ATOM 0 HB3 SER A 78 -13.354 1.914 0.409 1.00 0.00 H new ATOM 0 HG SER A 78 -14.118 -0.275 0.371 1.00 0.00 H new ATOM 1151 N CYS A 79 -10.325 3.574 0.467 1.00 0.00 N ATOM 1152 CA CYS A 79 -9.700 4.662 1.211 1.00 0.00 C ATOM 1153 C CYS A 79 -10.755 5.559 1.851 1.00 0.00 C ATOM 1154 O CYS A 79 -11.346 6.411 1.188 1.00 0.00 O ATOM 1155 CB CYS A 79 -8.802 5.488 0.288 1.00 0.00 C ATOM 1156 SG CYS A 79 -7.523 6.429 1.153 1.00 0.00 S ATOM 0 H CYS A 79 -10.497 3.780 -0.517 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.091 4.226 2.003 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.325 4.821 -0.430 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -9.423 6.178 -0.283 1.00 0.00 H new ATOM 0 HG CYS A 79 -6.362 5.887 0.933 1.00 0.00 H new ATOM 1162 N VAL A 80 -10.987 5.360 3.144 1.00 0.00 N ATOM 1163 CA VAL A 80 -11.971 6.150 3.875 1.00 0.00 C ATOM 1164 C VAL A 80 -11.340 7.409 4.460 1.00 0.00 C ATOM 1165 O VAL A 80 -10.244 7.364 5.019 1.00 0.00 O ATOM 1166 CB VAL A 80 -12.613 5.334 5.013 1.00 0.00 C ATOM 1167 CG1 VAL A 80 -13.997 5.873 5.341 1.00 0.00 C ATOM 1168 CG2 VAL A 80 -12.680 3.861 4.640 1.00 0.00 C ATOM 0 H VAL A 80 -10.507 4.658 3.708 1.00 0.00 H new ATOM 0 HA VAL A 80 -12.744 6.433 3.160 1.00 0.00 H new ATOM 0 HB VAL A 80 -11.991 5.432 5.903 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.435 5.284 6.147 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -13.917 6.914 5.654 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -14.632 5.807 4.457 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -13.136 3.300 5.455 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.279 3.741 3.737 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -11.673 3.485 4.460 1.00 0.00 H new ATOM 1178 N CYS A 81 -12.040 8.530 4.327 1.00 0.00 N ATOM 1179 CA CYS A 81 -11.548 9.803 4.842 1.00 0.00 C ATOM 1180 C CYS A 81 -12.523 10.392 5.857 1.00 0.00 C ATOM 1181 O CYS A 81 -12.590 11.607 6.036 1.00 0.00 O ATOM 1182 CB CYS A 81 -11.329 10.791 3.696 1.00 0.00 C ATOM 1183 SG CYS A 81 -12.839 11.241 2.810 1.00 0.00 S ATOM 0 H CYS A 81 -12.949 8.584 3.867 1.00 0.00 H new ATOM 0 HA CYS A 81 -10.597 9.621 5.342 1.00 0.00 H new ATOM 0 HB2 CYS A 81 -10.871 11.696 4.094 1.00 0.00 H new ATOM 0 HB3 CYS A 81 -10.621 10.359 2.989 1.00 0.00 H new ATOM 0 HG CYS A 81 -12.926 10.541 1.718 1.00 0.00 H new ATOM 1189 N GLY A 82 -13.280 9.521 6.518 1.00 0.00 N ATOM 1190 CA GLY A 82 -14.242 9.973 7.505 1.00 0.00 C ATOM 1191 C GLY A 82 -15.666 9.602 7.139 1.00 0.00 C ATOM 1192 O GLY A 82 -16.259 8.715 7.753 1.00 0.00 O ATOM 0 H GLY A 82 -13.244 8.510 6.387 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -13.995 9.540 8.474 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -14.168 11.055 7.611 1.00 0.00 H new ATOM 1196 N GLN A 83 -16.215 10.283 6.139 1.00 0.00 N ATOM 1197 CA GLN A 83 -17.579 10.021 5.695 1.00 0.00 C ATOM 1198 C GLN A 83 -17.585 9.333 4.333 1.00 0.00 C ATOM 1199 O GLN A 83 -18.332 8.380 4.113 1.00 0.00 O ATOM 1200 CB GLN A 83 -18.375 11.325 5.624 1.00 0.00 C ATOM 1201 CG GLN A 83 -18.746 11.885 6.988 1.00 0.00 C ATOM 1202 CD GLN A 83 -20.083 11.372 7.485 1.00 0.00 C ATOM 1203 OE1 GLN A 83 -20.194 10.231 7.936 1.00 0.00 O ATOM 1204 NE2 GLN A 83 -21.107 12.213 7.407 1.00 0.00 N ATOM 0 H GLN A 83 -15.737 11.020 5.621 1.00 0.00 H new ATOM 0 HA GLN A 83 -18.049 9.357 6.420 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -17.791 12.069 5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.286 11.154 5.050 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -17.970 11.623 7.707 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -18.776 12.973 6.934 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -20.970 13.149 7.026 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -22.031 11.923 7.728 1.00 0.00 H new ATOM 1213 N GLU A 84 -16.749 9.824 3.424 1.00 0.00 N ATOM 1214 CA GLU A 84 -16.660 9.257 2.084 1.00 0.00 C ATOM 1215 C GLU A 84 -15.434 8.358 1.953 1.00 0.00 C ATOM 1216 O GLU A 84 -14.562 8.350 2.822 1.00 0.00 O ATOM 1217 CB GLU A 84 -16.604 10.371 1.037 1.00 0.00 C ATOM 1218 CG GLU A 84 -17.758 11.355 1.132 1.00 0.00 C ATOM 1219 CD GLU A 84 -19.109 10.685 0.978 1.00 0.00 C ATOM 1220 OE1 GLU A 84 -19.512 9.944 1.900 1.00 0.00 O ATOM 1221 OE2 GLU A 84 -19.764 10.901 -0.063 1.00 0.00 O ATOM 0 H GLU A 84 -16.124 10.613 3.591 1.00 0.00 H new ATOM 0 HA GLU A 84 -17.551 8.653 1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -15.665 10.914 1.146 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -16.600 9.924 0.043 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.717 11.865 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.645 12.118 0.362 1.00 0.00 H new ATOM 1228 N ARG A 85 -15.374 7.603 0.861 1.00 0.00 N ATOM 1229 CA ARG A 85 -14.256 6.700 0.617 1.00 0.00 C ATOM 1230 C ARG A 85 -14.273 6.190 -0.821 1.00 0.00 C ATOM 1231 O ARG A 85 -15.320 6.157 -1.468 1.00 0.00 O ATOM 1232 CB ARG A 85 -14.305 5.519 1.588 1.00 0.00 C ATOM 1233 CG ARG A 85 -15.318 4.454 1.201 1.00 0.00 C ATOM 1234 CD ARG A 85 -16.677 4.723 1.828 1.00 0.00 C ATOM 1235 NE ARG A 85 -17.516 5.562 0.976 1.00 0.00 N ATOM 1236 CZ ARG A 85 -18.843 5.574 1.034 1.00 0.00 C ATOM 1237 NH1 ARG A 85 -19.479 4.797 1.899 1.00 0.00 N ATOM 1238 NH2 ARG A 85 -19.537 6.366 0.226 1.00 0.00 N ATOM 0 H ARG A 85 -16.087 7.599 0.131 1.00 0.00 H new ATOM 0 HA ARG A 85 -13.332 7.255 0.777 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -13.316 5.064 1.644 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -14.543 5.889 2.585 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -15.417 4.422 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -14.957 3.475 1.518 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -17.183 3.776 2.016 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -16.541 5.209 2.794 1.00 0.00 H new ATOM 0 HE ARG A 85 -17.058 6.172 0.299 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -18.949 4.188 2.522 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -20.498 4.808 1.941 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -19.051 6.966 -0.440 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -20.556 6.374 0.272 1.00 0.00 H new ATOM 1252 N THR A 86 -13.105 5.794 -1.317 1.00 0.00 N ATOM 1253 CA THR A 86 -12.984 5.288 -2.679 1.00 0.00 C ATOM 1254 C THR A 86 -12.772 3.779 -2.687 1.00 0.00 C ATOM 1255 O THR A 86 -12.829 3.128 -1.644 1.00 0.00 O ATOM 1256 CB THR A 86 -11.820 5.963 -3.428 1.00 0.00 C ATOM 1257 OG1 THR A 86 -11.720 5.435 -4.755 1.00 0.00 O ATOM 1258 CG2 THR A 86 -10.506 5.750 -2.692 1.00 0.00 C ATOM 0 H THR A 86 -12.229 5.814 -0.795 1.00 0.00 H new ATOM 0 HA THR A 86 -13.918 5.524 -3.188 1.00 0.00 H new ATOM 0 HB THR A 86 -12.021 7.033 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.090 5.976 -5.276 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.699 6.236 -3.240 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.575 6.179 -1.692 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.301 4.682 -2.615 1.00 0.00 H new ATOM 1266 N SER A 87 -12.525 3.227 -3.871 1.00 0.00 N ATOM 1267 CA SER A 87 -12.307 1.793 -4.016 1.00 0.00 C ATOM 1268 C SER A 87 -11.568 1.484 -5.315 1.00 0.00 C ATOM 1269 O SER A 87 -11.715 2.194 -6.309 1.00 0.00 O ATOM 1270 CB SER A 87 -13.642 1.047 -3.986 1.00 0.00 C ATOM 1271 OG SER A 87 -14.674 1.824 -4.569 1.00 0.00 O ATOM 0 H SER A 87 -12.471 3.752 -4.744 1.00 0.00 H new ATOM 0 HA SER A 87 -11.693 1.458 -3.180 1.00 0.00 H new ATOM 0 HB2 SER A 87 -13.547 0.103 -4.522 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.903 0.804 -2.956 1.00 0.00 H new ATOM 0 HG SER A 87 -15.516 1.324 -4.539 1.00 0.00 H new ATOM 1277 N ALA A 88 -10.772 0.419 -5.297 1.00 0.00 N ATOM 1278 CA ALA A 88 -10.012 0.014 -6.472 1.00 0.00 C ATOM 1279 C ALA A 88 -9.578 -1.444 -6.370 1.00 0.00 C ATOM 1280 O ALA A 88 -8.713 -1.789 -5.565 1.00 0.00 O ATOM 1281 CB ALA A 88 -8.799 0.916 -6.652 1.00 0.00 C ATOM 0 H ALA A 88 -10.637 -0.178 -4.481 1.00 0.00 H new ATOM 0 HA ALA A 88 -10.658 0.113 -7.344 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -8.240 0.602 -7.534 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -9.128 1.947 -6.779 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -8.159 0.845 -5.772 1.00 0.00 H new ATOM 1287 N MET A 89 -10.185 -2.296 -7.190 1.00 0.00 N ATOM 1288 CA MET A 89 -9.861 -3.718 -7.191 1.00 0.00 C ATOM 1289 C MET A 89 -8.365 -3.934 -7.401 1.00 0.00 C ATOM 1290 O MET A 89 -7.763 -3.344 -8.299 1.00 0.00 O ATOM 1291 CB MET A 89 -10.651 -4.442 -8.282 1.00 0.00 C ATOM 1292 CG MET A 89 -12.074 -4.789 -7.874 1.00 0.00 C ATOM 1293 SD MET A 89 -12.142 -5.791 -6.377 1.00 0.00 S ATOM 1294 CE MET A 89 -11.462 -7.337 -6.974 1.00 0.00 C ATOM 0 H MET A 89 -10.904 -2.027 -7.862 1.00 0.00 H new ATOM 0 HA MET A 89 -10.137 -4.129 -6.220 1.00 0.00 H new ATOM 0 HB2 MET A 89 -10.680 -3.816 -9.174 1.00 0.00 H new ATOM 0 HB3 MET A 89 -10.126 -5.358 -8.552 1.00 0.00 H new ATOM 0 HG2 MET A 89 -12.637 -3.869 -7.717 1.00 0.00 H new ATOM 0 HG3 MET A 89 -12.561 -5.326 -8.688 1.00 0.00 H new ATOM 0 HE1 MET A 89 -11.632 -8.119 -6.234 1.00 0.00 H new ATOM 0 HE2 MET A 89 -11.949 -7.611 -7.910 1.00 0.00 H new ATOM 0 HE3 MET A 89 -10.391 -7.223 -7.142 1.00 0.00 H new ATOM 1304 N LEU A 90 -7.772 -4.782 -6.568 1.00 0.00 N ATOM 1305 CA LEU A 90 -6.346 -5.076 -6.663 1.00 0.00 C ATOM 1306 C LEU A 90 -6.116 -6.514 -7.115 1.00 0.00 C ATOM 1307 O LEU A 90 -6.429 -7.461 -6.393 1.00 0.00 O ATOM 1308 CB LEU A 90 -5.666 -4.838 -5.314 1.00 0.00 C ATOM 1309 CG LEU A 90 -4.309 -5.516 -5.117 1.00 0.00 C ATOM 1310 CD1 LEU A 90 -3.366 -5.162 -6.256 1.00 0.00 C ATOM 1311 CD2 LEU A 90 -3.704 -5.119 -3.778 1.00 0.00 C ATOM 0 H LEU A 90 -8.256 -5.278 -5.820 1.00 0.00 H new ATOM 0 HA LEU A 90 -5.910 -4.407 -7.406 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.536 -3.764 -5.180 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -6.338 -5.179 -4.526 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.459 -6.596 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.406 -5.653 -6.099 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.795 -5.497 -7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -3.221 -4.082 -6.286 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.739 -5.611 -3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.567 -4.038 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -4.372 -5.424 -2.972 1.00 0.00 H new ATOM 1323 N THR A 91 -5.563 -6.671 -8.314 1.00 0.00 N ATOM 1324 CA THR A 91 -5.289 -7.993 -8.862 1.00 0.00 C ATOM 1325 C THR A 91 -3.810 -8.342 -8.743 1.00 0.00 C ATOM 1326 O THR A 91 -2.945 -7.576 -9.169 1.00 0.00 O ATOM 1327 CB THR A 91 -5.710 -8.086 -10.341 1.00 0.00 C ATOM 1328 OG1 THR A 91 -7.127 -7.916 -10.459 1.00 0.00 O ATOM 1329 CG2 THR A 91 -5.304 -9.426 -10.936 1.00 0.00 C ATOM 0 H THR A 91 -5.296 -5.898 -8.924 1.00 0.00 H new ATOM 0 HA THR A 91 -5.875 -8.704 -8.280 1.00 0.00 H new ATOM 0 HB THR A 91 -5.202 -7.293 -10.891 1.00 0.00 H new ATOM 0 HG1 THR A 91 -7.386 -7.975 -11.402 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.612 -9.468 -11.981 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.222 -9.540 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.787 -10.231 -10.383 1.00 0.00 H new ATOM 1337 N VAL A 92 -3.525 -9.503 -8.162 1.00 0.00 N ATOM 1338 CA VAL A 92 -2.150 -9.954 -7.989 1.00 0.00 C ATOM 1339 C VAL A 92 -1.814 -11.080 -8.961 1.00 0.00 C ATOM 1340 O VAL A 92 -1.975 -12.258 -8.641 1.00 0.00 O ATOM 1341 CB VAL A 92 -1.895 -10.440 -6.550 1.00 0.00 C ATOM 1342 CG1 VAL A 92 -0.470 -10.950 -6.403 1.00 0.00 C ATOM 1343 CG2 VAL A 92 -2.177 -9.325 -5.554 1.00 0.00 C ATOM 0 H VAL A 92 -4.229 -10.148 -7.803 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.508 -9.097 -8.194 1.00 0.00 H new ATOM 0 HB VAL A 92 -2.574 -11.266 -6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.309 -11.289 -5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.308 -11.780 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.230 -10.147 -6.634 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.992 -9.686 -4.542 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -1.524 -8.477 -5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.217 -9.012 -5.643 1.00 0.00 H new ATOM 1353 N ARG A 93 -1.347 -10.710 -10.149 1.00 0.00 N ATOM 1354 CA ARG A 93 -0.989 -11.689 -11.168 1.00 0.00 C ATOM 1355 C ARG A 93 0.080 -12.646 -10.651 1.00 0.00 C ATOM 1356 O ARG A 93 1.233 -12.260 -10.459 1.00 0.00 O ATOM 1357 CB ARG A 93 -0.490 -10.983 -12.430 1.00 0.00 C ATOM 1358 CG ARG A 93 -1.531 -10.087 -13.080 1.00 0.00 C ATOM 1359 CD ARG A 93 -2.580 -10.900 -13.823 1.00 0.00 C ATOM 1360 NE ARG A 93 -2.041 -11.508 -15.037 1.00 0.00 N ATOM 1361 CZ ARG A 93 -1.503 -12.722 -15.074 1.00 0.00 C ATOM 1362 NH1 ARG A 93 -1.432 -13.453 -13.971 1.00 0.00 N ATOM 1363 NH2 ARG A 93 -1.034 -13.206 -16.217 1.00 0.00 N ATOM 0 H ARG A 93 -1.208 -9.739 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 93 -1.881 -12.266 -11.411 1.00 0.00 H new ATOM 0 HB2 ARG A 93 0.386 -10.385 -12.179 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.167 -11.733 -13.152 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.015 -9.477 -12.317 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -1.042 -9.402 -13.773 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -2.966 -11.680 -13.167 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -3.421 -10.257 -14.082 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.080 -10.971 -15.903 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.791 -13.084 -13.091 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.018 -14.385 -14.002 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -1.086 -12.646 -17.068 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.621 -14.138 -16.245 1.00 0.00 H new ATOM 1377 N ALA A 94 -0.311 -13.896 -10.426 1.00 0.00 N ATOM 1378 CA ALA A 94 0.614 -14.909 -9.932 1.00 0.00 C ATOM 1379 C ALA A 94 1.814 -15.057 -10.862 1.00 0.00 C ATOM 1380 O ALA A 94 1.658 -15.203 -12.075 1.00 0.00 O ATOM 1381 CB ALA A 94 -0.100 -16.243 -9.773 1.00 0.00 C ATOM 0 H ALA A 94 -1.262 -14.232 -10.578 1.00 0.00 H new ATOM 0 HA ALA A 94 0.980 -14.587 -8.957 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.603 -16.990 -9.404 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.920 -16.134 -9.064 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -0.494 -16.562 -10.738 1.00 0.00 H new ATOM 1387 N LEU A 95 3.010 -15.017 -10.286 1.00 0.00 N ATOM 1388 CA LEU A 95 4.238 -15.145 -11.063 1.00 0.00 C ATOM 1389 C LEU A 95 4.364 -16.546 -11.655 1.00 0.00 C ATOM 1390 O LEU A 95 3.994 -17.543 -11.035 1.00 0.00 O ATOM 1391 CB LEU A 95 5.454 -14.838 -10.188 1.00 0.00 C ATOM 1392 CG LEU A 95 5.699 -13.361 -9.873 1.00 0.00 C ATOM 1393 CD1 LEU A 95 6.576 -13.217 -8.639 1.00 0.00 C ATOM 1394 CD2 LEU A 95 6.332 -12.660 -11.066 1.00 0.00 C ATOM 0 H LEU A 95 3.156 -14.897 -9.284 1.00 0.00 H new ATOM 0 HA LEU A 95 4.197 -14.426 -11.881 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.344 -15.376 -9.247 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.341 -15.236 -10.681 1.00 0.00 H new ATOM 0 HG LEU A 95 4.739 -12.888 -9.667 1.00 0.00 H new ATOM 0 HD11 LEU A 95 6.740 -12.160 -8.430 1.00 0.00 H new ATOM 0 HD12 LEU A 95 6.083 -13.683 -7.786 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.535 -13.705 -8.815 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.499 -11.610 -10.825 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.284 -13.134 -11.303 1.00 0.00 H new ATOM 0 HD23 LEU A 95 5.666 -12.733 -11.926 1.00 0.00 H new