USER MOD reduce.3.24.130724 H: found=0, std=0, add=723, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 724 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 Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc=-0.000183 X(o=-0.00018,f=-0.064) USER MOD Single : A 18 THR OG1 : rot -90:sc= 0.993 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 69:sc= 0.255 USER MOD Single : A 24 LYS NZ :NH3+ -146:sc=-0.00234 (180deg=-0.0806) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 MET CE :methyl -170:sc= -2.2! (180deg=-2.56!) USER MOD Single : A 42 ASN : amide:sc= -0.162 K(o=-0.16,f=-0.87) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -8.43! C(o=-8.4!,f=-9!) USER MOD Single : A 56 GLN : amide:sc= -0.121 K(o=-0.12,f=-1.1) USER MOD Single : A 57 MET CE :methyl 139:sc= -2.8 (180deg=-5!) USER MOD Single : A 67 GLN : amide:sc= -2.76 K(o=-2.8,f=-3.7!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.68) USER MOD Single : A 76 MET CE :methyl 178:sc= -1.34 (180deg=-1.36) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 0:sc= -4.24! USER MOD Single : A 80 LYS NZ :NH3+ 143:sc= 0.738 (180deg=0.0911) USER MOD Single : A 81 GLN : amide:sc= -4.07! C(o=-4.1!,f=-12!) USER MOD Single : A 83 MET CE :methyl 180:sc= -0.193 (180deg=-0.193) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot -36:sc= 0.572 USER MOD ----------------------------------------------------------------- ATOM 88 N TYR A 10 -7.528 -8.882 -2.641 1.00 0.00 N ATOM 89 CA TYR A 10 -6.650 -7.921 -1.995 1.00 0.00 C ATOM 90 C TYR A 10 -5.798 -7.178 -3.026 1.00 0.00 C ATOM 91 O TYR A 10 -5.964 -5.975 -3.222 1.00 0.00 O ATOM 92 CB TYR A 10 -5.730 -8.737 -1.084 1.00 0.00 C ATOM 93 CG TYR A 10 -6.422 -9.291 0.163 1.00 0.00 C ATOM 94 CD1 TYR A 10 -7.051 -8.432 1.042 1.00 0.00 C ATOM 95 CD2 TYR A 10 -6.417 -10.648 0.410 1.00 0.00 C ATOM 96 CE1 TYR A 10 -7.702 -8.953 2.216 1.00 0.00 C ATOM 97 CE2 TYR A 10 -7.068 -11.170 1.584 1.00 0.00 C ATOM 98 CZ TYR A 10 -7.678 -10.296 2.429 1.00 0.00 C ATOM 99 OH TYR A 10 -8.293 -10.788 3.538 1.00 0.00 O ATOM 0 HA TYR A 10 -7.230 -7.178 -1.447 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.313 -9.567 -1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.893 -8.111 -0.775 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.055 -7.369 0.849 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.925 -11.320 -0.277 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.198 -8.292 2.912 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.072 -12.230 1.789 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.197 -11.763 3.560 1.00 0.00 H new ATOM 109 N GLU A 11 -4.905 -7.925 -3.658 1.00 0.00 N ATOM 110 CA GLU A 11 -4.026 -7.351 -4.663 1.00 0.00 C ATOM 111 C GLU A 11 -4.785 -6.326 -5.508 1.00 0.00 C ATOM 112 O GLU A 11 -4.322 -5.201 -5.690 1.00 0.00 O ATOM 113 CB GLU A 11 -3.415 -8.443 -5.544 1.00 0.00 C ATOM 114 CG GLU A 11 -2.358 -9.239 -4.776 1.00 0.00 C ATOM 115 CD GLU A 11 -2.962 -10.503 -4.163 1.00 0.00 C ATOM 116 OE1 GLU A 11 -3.637 -10.362 -3.120 1.00 0.00 O ATOM 117 OE2 GLU A 11 -2.736 -11.583 -4.750 1.00 0.00 O ATOM 0 H GLU A 11 -4.771 -8.923 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.208 -6.840 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -4.199 -9.115 -5.893 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.965 -7.992 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.543 -9.510 -5.447 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.930 -8.618 -3.989 1.00 0.00 H new ATOM 124 N GLN A 12 -5.939 -6.751 -6.002 1.00 0.00 N ATOM 125 CA GLN A 12 -6.766 -5.884 -6.824 1.00 0.00 C ATOM 126 C GLN A 12 -6.975 -4.537 -6.129 1.00 0.00 C ATOM 127 O GLN A 12 -6.663 -3.489 -6.693 1.00 0.00 O ATOM 128 CB GLN A 12 -8.106 -6.549 -7.146 1.00 0.00 C ATOM 129 CG GLN A 12 -8.756 -5.905 -8.372 1.00 0.00 C ATOM 130 CD GLN A 12 -10.190 -6.407 -8.559 1.00 0.00 C ATOM 131 OE1 GLN A 12 -10.489 -7.580 -8.408 1.00 0.00 O ATOM 132 NE2 GLN A 12 -11.056 -5.456 -8.896 1.00 0.00 N ATOM 0 H GLN A 12 -6.321 -7.684 -5.849 1.00 0.00 H new ATOM 0 HA GLN A 12 -6.249 -5.708 -7.768 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.954 -7.613 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.774 -6.464 -6.289 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.758 -4.821 -8.260 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -8.168 -6.132 -9.261 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -10.739 -4.493 -9.006 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.038 -5.690 -9.044 1.00 0.00 H new ATOM 141 N ASP A 13 -7.503 -4.608 -4.916 1.00 0.00 N ATOM 142 CA ASP A 13 -7.758 -3.407 -4.139 1.00 0.00 C ATOM 143 C ASP A 13 -6.474 -2.580 -4.051 1.00 0.00 C ATOM 144 O ASP A 13 -6.442 -1.429 -4.482 1.00 0.00 O ATOM 145 CB ASP A 13 -8.195 -3.755 -2.715 1.00 0.00 C ATOM 146 CG ASP A 13 -8.594 -2.557 -1.850 1.00 0.00 C ATOM 147 OD1 ASP A 13 -8.598 -1.436 -2.401 1.00 0.00 O ATOM 148 OD2 ASP A 13 -8.885 -2.791 -0.657 1.00 0.00 O ATOM 0 H ASP A 13 -7.761 -5.479 -4.452 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.552 -2.848 -4.633 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.039 -4.443 -2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -7.381 -4.286 -2.221 1.00 0.00 H new ATOM 153 N PHE A 14 -5.446 -3.199 -3.488 1.00 0.00 N ATOM 154 CA PHE A 14 -4.163 -2.535 -3.338 1.00 0.00 C ATOM 155 C PHE A 14 -3.694 -1.941 -4.667 1.00 0.00 C ATOM 156 O PHE A 14 -3.375 -0.755 -4.743 1.00 0.00 O ATOM 157 CB PHE A 14 -3.159 -3.597 -2.885 1.00 0.00 C ATOM 158 CG PHE A 14 -1.739 -3.066 -2.684 1.00 0.00 C ATOM 159 CD1 PHE A 14 -1.422 -2.382 -1.552 1.00 0.00 C ATOM 160 CD2 PHE A 14 -0.792 -3.277 -3.638 1.00 0.00 C ATOM 161 CE1 PHE A 14 -0.104 -1.889 -1.365 1.00 0.00 C ATOM 162 CE2 PHE A 14 0.526 -2.784 -3.451 1.00 0.00 C ATOM 163 CZ PHE A 14 0.843 -2.100 -2.319 1.00 0.00 C ATOM 0 H PHE A 14 -5.476 -4.154 -3.130 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.248 -1.722 -2.617 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.507 -4.036 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.135 -4.398 -3.624 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.174 -2.214 -0.795 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.043 -3.820 -4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.147 -1.346 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 14 1.278 -2.952 -4.208 1.00 0.00 H new ATOM 0 HZ PHE A 14 1.846 -1.725 -2.177 1.00 0.00 H new ATOM 173 N ALA A 15 -3.667 -2.791 -5.683 1.00 0.00 N ATOM 174 CA ALA A 15 -3.243 -2.365 -7.005 1.00 0.00 C ATOM 175 C ALA A 15 -3.935 -1.048 -7.359 1.00 0.00 C ATOM 176 O ALA A 15 -3.292 -0.110 -7.828 1.00 0.00 O ATOM 177 CB ALA A 15 -3.542 -3.472 -8.019 1.00 0.00 C ATOM 0 H ALA A 15 -3.932 -3.774 -5.617 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.168 -2.187 -7.024 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.224 -3.152 -9.011 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.003 -4.377 -7.739 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.613 -3.676 -8.030 1.00 0.00 H new ATOM 183 N VAL A 16 -5.238 -1.019 -7.120 1.00 0.00 N ATOM 184 CA VAL A 16 -6.025 0.169 -7.407 1.00 0.00 C ATOM 185 C VAL A 16 -5.543 1.321 -6.523 1.00 0.00 C ATOM 186 O VAL A 16 -5.237 2.403 -7.021 1.00 0.00 O ATOM 187 CB VAL A 16 -7.514 -0.136 -7.233 1.00 0.00 C ATOM 188 CG1 VAL A 16 -8.327 1.155 -7.109 1.00 0.00 C ATOM 189 CG2 VAL A 16 -8.035 -1.004 -8.380 1.00 0.00 C ATOM 0 H VAL A 16 -5.768 -1.799 -6.731 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.889 0.477 -8.444 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.634 -0.699 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -9.382 0.910 -6.986 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.983 1.720 -6.243 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -8.196 1.755 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -9.096 -1.206 -8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.894 -0.480 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.486 -1.946 -8.402 1.00 0.00 H new ATOM 199 N LEU A 17 -5.491 1.049 -5.228 1.00 0.00 N ATOM 200 CA LEU A 17 -5.051 2.050 -4.270 1.00 0.00 C ATOM 201 C LEU A 17 -3.718 2.641 -4.733 1.00 0.00 C ATOM 202 O LEU A 17 -3.646 3.816 -5.089 1.00 0.00 O ATOM 203 CB LEU A 17 -5.006 1.458 -2.860 1.00 0.00 C ATOM 204 CG LEU A 17 -6.307 1.532 -2.059 1.00 0.00 C ATOM 205 CD1 LEU A 17 -6.261 0.595 -0.850 1.00 0.00 C ATOM 206 CD2 LEU A 17 -6.622 2.974 -1.656 1.00 0.00 C ATOM 0 H LEU A 17 -5.746 0.150 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.765 2.872 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.709 0.412 -2.936 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.226 1.971 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.122 1.192 -2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -7.198 0.667 -0.298 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -6.118 -0.431 -1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.434 0.880 -0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.552 2.998 -1.088 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -5.811 3.366 -1.042 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.728 3.587 -2.551 1.00 0.00 H new ATOM 218 N THR A 18 -2.695 1.799 -4.711 1.00 0.00 N ATOM 219 CA THR A 18 -1.368 2.223 -5.124 1.00 0.00 C ATOM 220 C THR A 18 -1.451 3.077 -6.391 1.00 0.00 C ATOM 221 O THR A 18 -1.031 4.233 -6.393 1.00 0.00 O ATOM 222 CB THR A 18 -0.502 0.973 -5.290 1.00 0.00 C ATOM 223 OG1 THR A 18 -1.288 0.112 -6.109 1.00 0.00 O ATOM 224 CG2 THR A 18 -0.339 0.196 -3.981 1.00 0.00 C ATOM 0 H THR A 18 -2.758 0.825 -4.414 1.00 0.00 H new ATOM 0 HA THR A 18 -0.904 2.859 -4.370 1.00 0.00 H new ATOM 0 HB THR A 18 0.480 1.259 -5.667 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.857 -0.450 -5.542 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.284 -0.682 -4.154 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.133 0.835 -3.235 1.00 0.00 H new ATOM 0 HG23 THR A 18 -1.318 -0.119 -3.621 1.00 0.00 H new ATOM 232 N ALA A 19 -1.995 2.474 -7.438 1.00 0.00 N ATOM 233 CA ALA A 19 -2.138 3.164 -8.708 1.00 0.00 C ATOM 234 C ALA A 19 -2.812 4.518 -8.475 1.00 0.00 C ATOM 235 O ALA A 19 -2.212 5.564 -8.716 1.00 0.00 O ATOM 236 CB ALA A 19 -2.922 2.283 -9.683 1.00 0.00 C ATOM 0 H ALA A 19 -2.342 1.515 -7.432 1.00 0.00 H new ATOM 0 HA ALA A 19 -1.161 3.354 -9.153 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -3.029 2.801 -10.636 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -2.387 1.346 -9.838 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -3.909 2.073 -9.271 1.00 0.00 H new ATOM 242 N GLU A 20 -4.050 4.454 -8.009 1.00 0.00 N ATOM 243 CA GLU A 20 -4.813 5.661 -7.740 1.00 0.00 C ATOM 244 C GLU A 20 -3.960 6.665 -6.961 1.00 0.00 C ATOM 245 O GLU A 20 -3.857 7.828 -7.346 1.00 0.00 O ATOM 246 CB GLU A 20 -6.104 5.338 -6.987 1.00 0.00 C ATOM 247 CG GLU A 20 -7.247 6.247 -7.444 1.00 0.00 C ATOM 248 CD GLU A 20 -7.729 5.861 -8.844 1.00 0.00 C ATOM 249 OE1 GLU A 20 -8.384 4.801 -8.947 1.00 0.00 O ATOM 250 OE2 GLU A 20 -7.430 6.634 -9.780 1.00 0.00 O ATOM 0 H GLU A 20 -4.544 3.584 -7.811 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.091 6.111 -8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.375 4.295 -7.153 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.944 5.459 -5.916 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.075 6.178 -6.739 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.913 7.285 -7.444 1.00 0.00 H new ATOM 257 N ILE A 21 -3.370 6.177 -5.879 1.00 0.00 N ATOM 258 CA ILE A 21 -2.530 7.017 -5.043 1.00 0.00 C ATOM 259 C ILE A 21 -1.402 7.608 -5.891 1.00 0.00 C ATOM 260 O ILE A 21 -1.291 8.826 -6.020 1.00 0.00 O ATOM 261 CB ILE A 21 -2.037 6.236 -3.823 1.00 0.00 C ATOM 262 CG1 ILE A 21 -3.200 5.876 -2.896 1.00 0.00 C ATOM 263 CG2 ILE A 21 -0.935 7.002 -3.089 1.00 0.00 C ATOM 264 CD1 ILE A 21 -2.705 5.112 -1.666 1.00 0.00 C ATOM 0 H ILE A 21 -3.457 5.211 -5.563 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.104 7.855 -4.647 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.600 5.300 -4.171 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.714 6.784 -2.582 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.927 5.270 -3.437 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.603 6.424 -2.226 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.094 7.164 -3.763 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.322 7.964 -2.754 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.552 4.868 -1.024 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.213 4.192 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.997 5.730 -1.114 1.00 0.00 H new ATOM 276 N THR A 22 -0.593 6.718 -6.446 1.00 0.00 N ATOM 277 CA THR A 22 0.522 7.136 -7.279 1.00 0.00 C ATOM 278 C THR A 22 0.123 8.334 -8.143 1.00 0.00 C ATOM 279 O THR A 22 0.873 9.302 -8.254 1.00 0.00 O ATOM 280 CB THR A 22 0.985 5.926 -8.093 1.00 0.00 C ATOM 281 OG1 THR A 22 2.407 5.981 -8.018 1.00 0.00 O ATOM 282 CG2 THR A 22 0.683 6.075 -9.585 1.00 0.00 C ATOM 0 H THR A 22 -0.687 5.708 -6.335 1.00 0.00 H new ATOM 0 HA THR A 22 1.361 7.478 -6.673 1.00 0.00 H new ATOM 0 HB THR A 22 0.502 5.026 -7.713 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.790 5.230 -8.518 1.00 0.00 H new ATOM 0 HG21 THR A 22 1.032 5.190 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.392 6.185 -9.729 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.194 6.956 -9.973 1.00 0.00 H new ATOM 290 N SER A 23 -1.059 8.228 -8.734 1.00 0.00 N ATOM 291 CA SER A 23 -1.567 9.290 -9.585 1.00 0.00 C ATOM 292 C SER A 23 -1.688 10.589 -8.786 1.00 0.00 C ATOM 293 O SER A 23 -1.032 11.580 -9.102 1.00 0.00 O ATOM 294 CB SER A 23 -2.920 8.911 -10.190 1.00 0.00 C ATOM 295 OG SER A 23 -2.866 7.667 -10.883 1.00 0.00 O ATOM 0 H SER A 23 -1.679 7.423 -8.640 1.00 0.00 H new ATOM 0 HA SER A 23 -0.862 9.439 -10.403 1.00 0.00 H new ATOM 0 HB2 SER A 23 -3.667 8.853 -9.399 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.242 9.694 -10.876 1.00 0.00 H new ATOM 0 HG SER A 23 -2.738 6.939 -10.239 1.00 0.00 H new ATOM 301 N LYS A 24 -2.532 10.542 -7.766 1.00 0.00 N ATOM 302 CA LYS A 24 -2.747 11.702 -6.919 1.00 0.00 C ATOM 303 C LYS A 24 -1.395 12.256 -6.465 1.00 0.00 C ATOM 304 O LYS A 24 -1.233 13.466 -6.318 1.00 0.00 O ATOM 305 CB LYS A 24 -3.688 11.355 -5.763 1.00 0.00 C ATOM 306 CG LYS A 24 -5.151 11.533 -6.174 1.00 0.00 C ATOM 307 CD LYS A 24 -5.858 10.181 -6.284 1.00 0.00 C ATOM 308 CE LYS A 24 -6.892 10.192 -7.412 1.00 0.00 C ATOM 309 NZ LYS A 24 -6.222 10.116 -8.729 1.00 0.00 N ATOM 0 H LYS A 24 -3.075 9.718 -7.507 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.245 12.494 -7.479 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -3.518 10.326 -5.448 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.467 11.992 -4.906 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.664 12.157 -5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -5.203 12.053 -7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.124 9.397 -6.467 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -6.348 9.945 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -7.575 9.351 -7.296 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.492 11.100 -7.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -6.762 10.667 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -5.260 10.503 -8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.172 9.124 -9.036 1.00 0.00 H new ATOM 323 N ILE A 25 -0.458 11.343 -6.257 1.00 0.00 N ATOM 324 CA ILE A 25 0.876 11.725 -5.824 1.00 0.00 C ATOM 325 C ILE A 25 1.534 12.580 -6.908 1.00 0.00 C ATOM 326 O ILE A 25 2.340 13.459 -6.605 1.00 0.00 O ATOM 327 CB ILE A 25 1.689 10.487 -5.439 1.00 0.00 C ATOM 328 CG1 ILE A 25 1.188 9.890 -4.122 1.00 0.00 C ATOM 329 CG2 ILE A 25 3.184 10.806 -5.391 1.00 0.00 C ATOM 330 CD1 ILE A 25 1.852 8.539 -3.845 1.00 0.00 C ATOM 0 H ILE A 25 -0.596 10.340 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 25 0.824 12.337 -4.923 1.00 0.00 H new ATOM 0 HB ILE A 25 1.546 9.731 -6.211 1.00 0.00 H new ATOM 0 HG12 ILE A 25 1.399 10.578 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.106 9.766 -4.163 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.739 9.909 -5.115 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.514 11.150 -6.371 1.00 0.00 H new ATOM 0 HG23 ILE A 25 3.366 11.587 -4.652 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.479 8.136 -2.903 1.00 0.00 H new ATOM 0 HD12 ILE A 25 1.619 7.846 -4.654 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.932 8.671 -3.780 1.00 0.00 H new ATOM 342 N ALA A 26 1.167 12.293 -8.148 1.00 0.00 N ATOM 343 CA ALA A 26 1.712 13.025 -9.278 1.00 0.00 C ATOM 344 C ALA A 26 0.953 14.343 -9.440 1.00 0.00 C ATOM 345 O ALA A 26 1.432 15.263 -10.102 1.00 0.00 O ATOM 346 CB ALA A 26 1.641 12.153 -10.534 1.00 0.00 C ATOM 0 H ALA A 26 0.499 11.563 -8.395 1.00 0.00 H new ATOM 0 HA ALA A 26 2.761 13.267 -9.108 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.050 12.702 -11.382 1.00 0.00 H new ATOM 0 HB2 ALA A 26 2.220 11.243 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 26 0.602 11.892 -10.738 1.00 0.00 H new ATOM 352 N ARG A 27 -0.220 14.394 -8.825 1.00 0.00 N ATOM 353 CA ARG A 27 -1.050 15.584 -8.893 1.00 0.00 C ATOM 354 C ARG A 27 -0.766 16.498 -7.700 1.00 0.00 C ATOM 355 O ARG A 27 -1.095 17.683 -7.728 1.00 0.00 O ATOM 356 CB ARG A 27 -2.536 15.219 -8.905 1.00 0.00 C ATOM 357 CG ARG A 27 -3.088 15.215 -10.332 1.00 0.00 C ATOM 358 CD ARG A 27 -4.561 15.627 -10.352 1.00 0.00 C ATOM 359 NE ARG A 27 -5.234 15.043 -11.533 1.00 0.00 N ATOM 360 CZ ARG A 27 -5.688 13.784 -11.593 1.00 0.00 C ATOM 361 NH1 ARG A 27 -5.543 12.969 -10.540 1.00 0.00 N ATOM 362 NH2 ARG A 27 -6.287 13.340 -12.707 1.00 0.00 N ATOM 0 H ARG A 27 -0.615 13.630 -8.277 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.808 16.105 -9.820 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.676 14.237 -8.454 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -3.094 15.931 -8.297 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.507 15.898 -10.952 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -2.979 14.221 -10.765 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.053 15.291 -9.439 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.643 16.714 -10.377 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.360 15.636 -12.353 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.087 13.307 -9.693 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.889 12.010 -10.586 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.397 13.961 -13.509 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.633 12.381 -12.753 1.00 0.00 H new ATOM 376 N VAL A 28 -0.157 15.913 -6.679 1.00 0.00 N ATOM 377 CA VAL A 28 0.176 16.660 -5.478 1.00 0.00 C ATOM 378 C VAL A 28 0.976 17.906 -5.862 1.00 0.00 C ATOM 379 O VAL A 28 0.630 19.018 -5.466 1.00 0.00 O ATOM 380 CB VAL A 28 0.914 15.757 -4.487 1.00 0.00 C ATOM 381 CG1 VAL A 28 2.113 16.482 -3.873 1.00 0.00 C ATOM 382 CG2 VAL A 28 -0.034 15.247 -3.400 1.00 0.00 C ATOM 0 H VAL A 28 0.115 14.930 -6.659 1.00 0.00 H new ATOM 0 HA VAL A 28 -0.730 16.998 -4.976 1.00 0.00 H new ATOM 0 HB VAL A 28 1.290 14.894 -5.036 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.620 15.818 -3.173 1.00 0.00 H new ATOM 0 HG12 VAL A 28 2.805 16.773 -4.663 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.769 17.372 -3.346 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.515 14.608 -2.709 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -0.453 16.094 -2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.841 14.676 -3.859 1.00 0.00 H new ATOM 392 N PRO A 29 2.060 17.672 -6.650 1.00 0.00 N ATOM 393 CA PRO A 29 2.912 18.762 -7.093 1.00 0.00 C ATOM 394 C PRO A 29 2.237 19.571 -8.202 1.00 0.00 C ATOM 395 O PRO A 29 2.813 20.529 -8.715 1.00 0.00 O ATOM 396 CB PRO A 29 4.201 18.095 -7.545 1.00 0.00 C ATOM 397 CG PRO A 29 3.855 16.633 -7.776 1.00 0.00 C ATOM 398 CD PRO A 29 2.500 16.369 -7.139 1.00 0.00 C ATOM 0 HA PRO A 29 3.110 19.488 -6.304 1.00 0.00 H new ATOM 0 HB2 PRO A 29 4.580 18.556 -8.457 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.980 18.197 -6.789 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.825 16.412 -8.843 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.615 15.987 -7.338 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.795 15.959 -7.863 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.578 15.647 -6.326 1.00 0.00 H new ATOM 406 N ARG A 30 1.025 19.156 -8.539 1.00 0.00 N ATOM 407 CA ARG A 30 0.265 19.830 -9.578 1.00 0.00 C ATOM 408 C ARG A 30 -1.070 20.328 -9.020 1.00 0.00 C ATOM 409 O ARG A 30 -1.971 20.681 -9.779 1.00 0.00 O ATOM 410 CB ARG A 30 -0.001 18.896 -10.760 1.00 0.00 C ATOM 411 CG ARG A 30 1.265 18.693 -11.595 1.00 0.00 C ATOM 412 CD ARG A 30 1.067 17.585 -12.631 1.00 0.00 C ATOM 413 NE ARG A 30 2.289 16.756 -12.725 1.00 0.00 N ATOM 414 CZ ARG A 30 2.436 15.727 -13.571 1.00 0.00 C ATOM 415 NH1 ARG A 30 1.438 15.395 -14.401 1.00 0.00 N ATOM 416 NH2 ARG A 30 3.581 15.031 -13.586 1.00 0.00 N ATOM 0 H ARG A 30 0.550 18.361 -8.111 1.00 0.00 H new ATOM 0 HA ARG A 30 0.857 20.677 -9.925 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.358 17.933 -10.394 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.791 19.312 -11.386 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.526 19.624 -12.098 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.099 18.439 -10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.216 16.963 -12.352 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.838 18.021 -13.603 1.00 0.00 H new ATOM 0 HE ARG A 30 3.068 16.982 -12.107 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.567 15.925 -14.389 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.549 14.612 -15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.340 15.284 -12.954 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.693 14.248 -14.230 1.00 0.00 H new ATOM 430 N LEU A 31 -1.154 20.342 -7.698 1.00 0.00 N ATOM 431 CA LEU A 31 -2.364 20.792 -7.030 1.00 0.00 C ATOM 432 C LEU A 31 -2.050 22.038 -6.200 1.00 0.00 C ATOM 433 O LEU A 31 -0.901 22.264 -5.823 1.00 0.00 O ATOM 434 CB LEU A 31 -2.982 19.652 -6.217 1.00 0.00 C ATOM 435 CG LEU A 31 -3.766 18.608 -7.015 1.00 0.00 C ATOM 436 CD1 LEU A 31 -3.961 17.328 -6.200 1.00 0.00 C ATOM 437 CD2 LEU A 31 -5.096 19.180 -7.510 1.00 0.00 C ATOM 0 H LEU A 31 -0.404 20.049 -7.071 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.119 21.078 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.184 19.143 -5.677 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -3.647 20.084 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.182 18.343 -7.896 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.521 16.603 -6.790 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.988 16.911 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.513 17.558 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -5.633 18.417 -8.074 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.698 19.491 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.906 20.040 -8.153 1.00 0.00 H new ATOM 449 N PRO A 32 -3.119 22.836 -5.934 1.00 0.00 N ATOM 450 CA PRO A 32 -2.968 24.054 -5.156 1.00 0.00 C ATOM 451 C PRO A 32 -2.791 23.737 -3.670 1.00 0.00 C ATOM 452 O PRO A 32 -2.920 22.585 -3.257 1.00 0.00 O ATOM 453 CB PRO A 32 -4.222 24.862 -5.445 1.00 0.00 C ATOM 454 CG PRO A 32 -5.236 23.875 -6.001 1.00 0.00 C ATOM 455 CD PRO A 32 -4.494 22.600 -6.365 1.00 0.00 C ATOM 0 HA PRO A 32 -2.075 24.618 -5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.597 25.338 -4.539 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.018 25.657 -6.162 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -6.011 23.668 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -5.733 24.291 -6.877 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -4.924 21.734 -5.861 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.545 22.404 -7.436 1.00 0.00 H new ATOM 463 N PRO A 33 -2.489 24.806 -2.886 1.00 0.00 N ATOM 464 CA PRO A 33 -2.293 24.653 -1.454 1.00 0.00 C ATOM 465 C PRO A 33 -3.629 24.459 -0.735 1.00 0.00 C ATOM 466 O PRO A 33 -3.666 24.322 0.487 1.00 0.00 O ATOM 467 CB PRO A 33 -1.563 25.914 -1.021 1.00 0.00 C ATOM 468 CG PRO A 33 -1.789 26.929 -2.130 1.00 0.00 C ATOM 469 CD PRO A 33 -2.328 26.185 -3.340 1.00 0.00 C ATOM 0 HA PRO A 33 -1.713 23.765 -1.201 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.949 26.282 -0.070 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.500 25.721 -0.880 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.494 27.695 -1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.857 27.437 -2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -3.277 26.606 -3.673 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -1.639 26.247 -4.182 1.00 0.00 H new ATOM 477 N ASP A 34 -4.694 24.452 -1.524 1.00 0.00 N ATOM 478 CA ASP A 34 -6.028 24.277 -0.977 1.00 0.00 C ATOM 479 C ASP A 34 -6.451 22.815 -1.134 1.00 0.00 C ATOM 480 O ASP A 34 -7.117 22.260 -0.261 1.00 0.00 O ATOM 481 CB ASP A 34 -7.046 25.145 -1.720 1.00 0.00 C ATOM 482 CG ASP A 34 -6.627 26.602 -1.922 1.00 0.00 C ATOM 483 OD1 ASP A 34 -5.712 27.037 -1.190 1.00 0.00 O ATOM 484 OD2 ASP A 34 -7.232 27.249 -2.804 1.00 0.00 O ATOM 0 H ASP A 34 -4.660 24.565 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.003 24.568 0.073 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.238 24.699 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.987 25.126 -1.170 1.00 0.00 H new ATOM 489 N GLU A 35 -6.046 22.232 -2.253 1.00 0.00 N ATOM 490 CA GLU A 35 -6.374 20.845 -2.535 1.00 0.00 C ATOM 491 C GLU A 35 -5.193 19.938 -2.183 1.00 0.00 C ATOM 492 O GLU A 35 -5.382 18.771 -1.840 1.00 0.00 O ATOM 493 CB GLU A 35 -6.786 20.665 -3.997 1.00 0.00 C ATOM 494 CG GLU A 35 -8.306 20.545 -4.128 1.00 0.00 C ATOM 495 CD GLU A 35 -8.752 19.086 -4.015 1.00 0.00 C ATOM 496 OE1 GLU A 35 -8.302 18.428 -3.052 1.00 0.00 O ATOM 497 OE2 GLU A 35 -9.533 18.662 -4.893 1.00 0.00 O ATOM 0 H GLU A 35 -5.494 22.695 -2.975 1.00 0.00 H new ATOM 0 HA GLU A 35 -7.224 20.560 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.433 21.512 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.311 19.773 -4.405 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.790 21.138 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.625 20.954 -5.087 1.00 0.00 H new ATOM 504 N LYS A 36 -4.001 20.508 -2.279 1.00 0.00 N ATOM 505 CA LYS A 36 -2.790 19.765 -1.975 1.00 0.00 C ATOM 506 C LYS A 36 -2.867 19.238 -0.541 1.00 0.00 C ATOM 507 O LYS A 36 -2.766 18.033 -0.312 1.00 0.00 O ATOM 508 CB LYS A 36 -1.553 20.623 -2.250 1.00 0.00 C ATOM 509 CG LYS A 36 -0.273 19.877 -1.866 1.00 0.00 C ATOM 510 CD LYS A 36 0.968 20.662 -2.295 1.00 0.00 C ATOM 511 CE LYS A 36 2.116 20.457 -1.305 1.00 0.00 C ATOM 512 NZ LYS A 36 2.071 21.484 -0.240 1.00 0.00 N ATOM 0 H LYS A 36 -3.848 21.476 -2.563 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.700 18.898 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -1.519 20.891 -3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.619 21.554 -1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.251 19.716 -0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.266 18.893 -2.336 1.00 0.00 H new ATOM 0 HD2 LYS A 36 1.279 20.342 -3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.726 21.723 -2.362 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.050 19.463 -0.863 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.070 20.510 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.857 21.331 0.424 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.156 22.429 -0.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 1.168 21.415 0.271 1.00 0.00 H new ATOM 526 N LYS A 37 -3.045 20.165 0.388 1.00 0.00 N ATOM 527 CA LYS A 37 -3.136 19.809 1.794 1.00 0.00 C ATOM 528 C LYS A 37 -4.004 18.558 1.943 1.00 0.00 C ATOM 529 O LYS A 37 -3.545 17.537 2.452 1.00 0.00 O ATOM 530 CB LYS A 37 -3.628 21.000 2.618 1.00 0.00 C ATOM 531 CG LYS A 37 -2.630 21.352 3.723 1.00 0.00 C ATOM 532 CD LYS A 37 -2.417 22.864 3.808 1.00 0.00 C ATOM 533 CE LYS A 37 -0.934 23.199 3.987 1.00 0.00 C ATOM 534 NZ LYS A 37 -0.668 24.599 3.588 1.00 0.00 N ATOM 0 H LYS A 37 -3.129 21.163 0.195 1.00 0.00 H new ATOM 0 HA LYS A 37 -2.150 19.563 2.189 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.774 21.862 1.967 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.597 20.766 3.059 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -2.995 20.978 4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.678 20.857 3.529 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.794 23.340 2.903 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -2.989 23.269 4.643 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.644 23.050 5.027 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -0.327 22.522 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.342 24.810 3.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.926 24.730 2.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.233 25.242 4.179 1.00 0.00 H new ATOM 548 N GLN A 38 -5.243 18.679 1.489 1.00 0.00 N ATOM 549 CA GLN A 38 -6.179 17.570 1.566 1.00 0.00 C ATOM 550 C GLN A 38 -5.617 16.349 0.835 1.00 0.00 C ATOM 551 O GLN A 38 -5.721 15.226 1.326 1.00 0.00 O ATOM 552 CB GLN A 38 -7.545 17.966 1.001 1.00 0.00 C ATOM 553 CG GLN A 38 -8.105 19.191 1.727 1.00 0.00 C ATOM 554 CD GLN A 38 -8.835 18.782 3.008 1.00 0.00 C ATOM 555 OE1 GLN A 38 -10.003 18.432 3.003 1.00 0.00 O ATOM 556 NE2 GLN A 38 -8.082 18.847 4.103 1.00 0.00 N ATOM 0 H GLN A 38 -5.620 19.527 1.067 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.317 17.309 2.615 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.454 18.180 -0.064 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.239 17.131 1.100 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.293 19.877 1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -8.789 19.727 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -7.110 19.149 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.477 18.595 5.009 1.00 0.00 H new ATOM 565 N MET A 39 -5.033 16.610 -0.325 1.00 0.00 N ATOM 566 CA MET A 39 -4.454 15.546 -1.127 1.00 0.00 C ATOM 567 C MET A 39 -3.314 14.853 -0.379 1.00 0.00 C ATOM 568 O MET A 39 -3.163 13.635 -0.461 1.00 0.00 O ATOM 569 CB MET A 39 -3.925 16.127 -2.440 1.00 0.00 C ATOM 570 CG MET A 39 -3.447 15.016 -3.378 1.00 0.00 C ATOM 571 SD MET A 39 -4.752 13.825 -3.628 1.00 0.00 S ATOM 572 CE MET A 39 -5.526 14.514 -5.082 1.00 0.00 C ATOM 0 H MET A 39 -4.948 17.543 -0.729 1.00 0.00 H new ATOM 0 HA MET A 39 -5.230 14.808 -1.332 1.00 0.00 H new ATOM 0 HB2 MET A 39 -4.709 16.707 -2.927 1.00 0.00 H new ATOM 0 HB3 MET A 39 -3.103 16.812 -2.234 1.00 0.00 H new ATOM 0 HG2 MET A 39 -3.144 15.442 -4.335 1.00 0.00 H new ATOM 0 HG3 MET A 39 -2.571 14.524 -2.956 1.00 0.00 H new ATOM 0 HE1 MET A 39 -6.466 13.997 -5.273 1.00 0.00 H new ATOM 0 HE2 MET A 39 -5.721 15.574 -4.922 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.864 14.392 -5.939 1.00 0.00 H new ATOM 582 N VAL A 40 -2.541 15.659 0.334 1.00 0.00 N ATOM 583 CA VAL A 40 -1.419 15.138 1.097 1.00 0.00 C ATOM 584 C VAL A 40 -1.945 14.411 2.336 1.00 0.00 C ATOM 585 O VAL A 40 -1.170 13.822 3.089 1.00 0.00 O ATOM 586 CB VAL A 40 -0.447 16.270 1.436 1.00 0.00 C ATOM 587 CG1 VAL A 40 0.653 15.783 2.382 1.00 0.00 C ATOM 588 CG2 VAL A 40 0.152 16.876 0.165 1.00 0.00 C ATOM 0 H VAL A 40 -2.669 16.669 0.400 1.00 0.00 H new ATOM 0 HA VAL A 40 -0.859 14.412 0.507 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.008 17.052 1.948 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.330 16.607 2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.204 15.420 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.210 14.975 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 40 0.839 17.678 0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.691 16.106 -0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.647 17.276 -0.459 1.00 0.00 H new ATOM 598 N ALA A 41 -3.256 14.476 2.510 1.00 0.00 N ATOM 599 CA ALA A 41 -3.894 13.830 3.645 1.00 0.00 C ATOM 600 C ALA A 41 -4.731 12.649 3.150 1.00 0.00 C ATOM 601 O ALA A 41 -4.794 11.611 3.807 1.00 0.00 O ATOM 602 CB ALA A 41 -4.730 14.856 4.413 1.00 0.00 C ATOM 0 H ALA A 41 -3.895 14.966 1.884 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.146 13.438 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.209 14.372 5.264 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -4.084 15.659 4.768 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.494 15.269 3.754 1.00 0.00 H new ATOM 608 N ASN A 42 -5.353 12.847 1.997 1.00 0.00 N ATOM 609 CA ASN A 42 -6.184 11.811 1.407 1.00 0.00 C ATOM 610 C ASN A 42 -5.317 10.594 1.078 1.00 0.00 C ATOM 611 O ASN A 42 -5.721 9.457 1.314 1.00 0.00 O ATOM 612 CB ASN A 42 -6.830 12.297 0.108 1.00 0.00 C ATOM 613 CG ASN A 42 -8.261 11.771 -0.022 1.00 0.00 C ATOM 614 OD1 ASN A 42 -9.009 11.688 0.938 1.00 0.00 O ATOM 615 ND2 ASN A 42 -8.598 11.421 -1.260 1.00 0.00 N ATOM 0 H ASN A 42 -5.298 13.710 1.455 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.964 11.555 2.124 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.836 13.387 0.086 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.237 11.964 -0.744 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -9.532 11.057 -1.451 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.923 11.516 -2.019 1.00 0.00 H new ATOM 622 N VAL A 43 -4.140 10.875 0.538 1.00 0.00 N ATOM 623 CA VAL A 43 -3.212 9.818 0.174 1.00 0.00 C ATOM 624 C VAL A 43 -2.729 9.110 1.441 1.00 0.00 C ATOM 625 O VAL A 43 -2.492 7.903 1.431 1.00 0.00 O ATOM 626 CB VAL A 43 -2.067 10.391 -0.664 1.00 0.00 C ATOM 627 CG1 VAL A 43 -0.877 9.430 -0.697 1.00 0.00 C ATOM 628 CG2 VAL A 43 -2.540 10.728 -2.080 1.00 0.00 C ATOM 0 H VAL A 43 -3.808 11.820 0.344 1.00 0.00 H new ATOM 0 HA VAL A 43 -3.709 9.072 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.736 11.316 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.077 9.862 -1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.517 9.262 0.318 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.188 8.481 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -1.707 11.133 -2.655 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -2.910 9.824 -2.565 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -3.340 11.466 -2.030 1.00 0.00 H new ATOM 638 N GLU A 44 -2.598 9.891 2.503 1.00 0.00 N ATOM 639 CA GLU A 44 -2.147 9.355 3.776 1.00 0.00 C ATOM 640 C GLU A 44 -3.049 8.199 4.214 1.00 0.00 C ATOM 641 O GLU A 44 -2.587 7.252 4.847 1.00 0.00 O ATOM 642 CB GLU A 44 -2.098 10.448 4.845 1.00 0.00 C ATOM 643 CG GLU A 44 -1.054 11.510 4.496 1.00 0.00 C ATOM 644 CD GLU A 44 0.350 11.051 4.894 1.00 0.00 C ATOM 645 OE1 GLU A 44 0.469 9.875 5.300 1.00 0.00 O ATOM 646 OE2 GLU A 44 1.274 11.886 4.782 1.00 0.00 O ATOM 0 H GLU A 44 -2.796 10.892 2.508 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.134 8.972 3.649 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.079 10.914 4.939 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.862 10.005 5.813 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.083 11.716 3.426 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -1.294 12.443 5.007 1.00 0.00 H new ATOM 653 N LYS A 45 -4.320 8.316 3.860 1.00 0.00 N ATOM 654 CA LYS A 45 -5.292 7.293 4.209 1.00 0.00 C ATOM 655 C LYS A 45 -5.134 6.102 3.261 1.00 0.00 C ATOM 656 O LYS A 45 -4.874 4.984 3.701 1.00 0.00 O ATOM 657 CB LYS A 45 -6.704 7.880 4.229 1.00 0.00 C ATOM 658 CG LYS A 45 -7.452 7.465 5.498 1.00 0.00 C ATOM 659 CD LYS A 45 -6.781 8.044 6.745 1.00 0.00 C ATOM 660 CE LYS A 45 -7.722 9.000 7.480 1.00 0.00 C ATOM 661 NZ LYS A 45 -7.150 9.384 8.790 1.00 0.00 N ATOM 0 H LYS A 45 -4.700 9.104 3.335 1.00 0.00 H new ATOM 0 HA LYS A 45 -5.111 6.924 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -6.651 8.967 4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.255 7.542 3.351 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.485 7.808 5.444 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -7.481 6.378 5.568 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.485 7.234 7.412 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.870 8.571 6.461 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -7.891 9.891 6.875 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -8.692 8.525 7.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -7.801 10.033 9.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.012 8.533 9.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.235 9.856 8.644 1.00 0.00 H new ATOM 675 N GLN A 46 -5.299 6.383 1.976 1.00 0.00 N ATOM 676 CA GLN A 46 -5.178 5.350 0.963 1.00 0.00 C ATOM 677 C GLN A 46 -3.876 4.569 1.152 1.00 0.00 C ATOM 678 O GLN A 46 -3.812 3.378 0.851 1.00 0.00 O ATOM 679 CB GLN A 46 -5.259 5.948 -0.443 1.00 0.00 C ATOM 680 CG GLN A 46 -6.636 6.563 -0.699 1.00 0.00 C ATOM 681 CD GLN A 46 -7.686 5.475 -0.939 1.00 0.00 C ATOM 682 OE1 GLN A 46 -8.011 5.127 -2.063 1.00 0.00 O ATOM 683 NE2 GLN A 46 -8.196 4.960 0.176 1.00 0.00 N ATOM 0 H GLN A 46 -5.516 7.312 1.614 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.013 4.659 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -4.489 6.710 -0.563 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -5.059 5.173 -1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -6.929 7.175 0.154 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -6.588 7.224 -1.564 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -7.879 5.297 1.085 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -8.904 4.228 0.122 1.00 0.00 H new ATOM 692 N LEU A 47 -2.869 5.272 1.651 1.00 0.00 N ATOM 693 CA LEU A 47 -1.572 4.660 1.885 1.00 0.00 C ATOM 694 C LEU A 47 -1.672 3.702 3.073 1.00 0.00 C ATOM 695 O LEU A 47 -1.474 2.497 2.922 1.00 0.00 O ATOM 696 CB LEU A 47 -0.495 5.734 2.049 1.00 0.00 C ATOM 697 CG LEU A 47 0.111 6.281 0.755 1.00 0.00 C ATOM 698 CD1 LEU A 47 0.955 7.527 1.028 1.00 0.00 C ATOM 699 CD2 LEU A 47 0.906 5.198 0.022 1.00 0.00 C ATOM 0 H LEU A 47 -2.926 6.260 1.900 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.269 4.067 1.022 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.923 6.567 2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.310 5.323 2.658 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.704 6.583 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.374 7.895 0.091 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.329 8.300 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 47 1.764 7.275 1.713 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.326 5.613 -0.894 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.713 4.842 0.663 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.246 4.367 -0.225 1.00 0.00 H new ATOM 711 N GLU A 48 -1.978 4.273 4.229 1.00 0.00 N ATOM 712 CA GLU A 48 -2.107 3.485 5.443 1.00 0.00 C ATOM 713 C GLU A 48 -3.138 2.372 5.246 1.00 0.00 C ATOM 714 O GLU A 48 -2.974 1.269 5.767 1.00 0.00 O ATOM 715 CB GLU A 48 -2.476 4.370 6.635 1.00 0.00 C ATOM 716 CG GLU A 48 -3.978 4.656 6.661 1.00 0.00 C ATOM 717 CD GLU A 48 -4.369 5.422 7.927 1.00 0.00 C ATOM 718 OE1 GLU A 48 -3.656 6.399 8.241 1.00 0.00 O ATOM 719 OE2 GLU A 48 -5.371 5.013 8.552 1.00 0.00 O ATOM 0 H GLU A 48 -2.140 5.273 4.350 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.142 3.026 5.659 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.179 3.880 7.562 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -1.924 5.309 6.580 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.257 5.235 5.781 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.531 3.718 6.614 1.00 0.00 H new ATOM 726 N GLU A 49 -4.178 2.699 4.493 1.00 0.00 N ATOM 727 CA GLU A 49 -5.236 1.740 4.221 1.00 0.00 C ATOM 728 C GLU A 49 -4.691 0.563 3.410 1.00 0.00 C ATOM 729 O GLU A 49 -5.242 -0.535 3.456 1.00 0.00 O ATOM 730 CB GLU A 49 -6.408 2.408 3.499 1.00 0.00 C ATOM 731 CG GLU A 49 -7.101 3.428 4.405 1.00 0.00 C ATOM 732 CD GLU A 49 -8.594 3.117 4.539 1.00 0.00 C ATOM 733 OE1 GLU A 49 -8.906 1.931 4.783 1.00 0.00 O ATOM 734 OE2 GLU A 49 -9.387 4.071 4.396 1.00 0.00 O ATOM 0 H GLU A 49 -4.311 3.614 4.063 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.607 1.358 5.172 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -6.049 2.903 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.125 1.650 3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.634 3.421 5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.970 4.430 3.997 1.00 0.00 H new ATOM 741 N ALA A 50 -3.614 0.833 2.686 1.00 0.00 N ATOM 742 CA ALA A 50 -2.988 -0.189 1.866 1.00 0.00 C ATOM 743 C ALA A 50 -1.936 -0.928 2.695 1.00 0.00 C ATOM 744 O ALA A 50 -1.710 -2.121 2.497 1.00 0.00 O ATOM 745 CB ALA A 50 -2.396 0.454 0.611 1.00 0.00 C ATOM 0 H ALA A 50 -3.159 1.745 2.651 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.725 -0.923 1.539 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.926 -0.314 -0.004 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.189 0.940 0.042 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.650 1.195 0.899 1.00 0.00 H new ATOM 751 N ARG A 51 -1.320 -0.189 3.605 1.00 0.00 N ATOM 752 CA ARG A 51 -0.296 -0.759 4.465 1.00 0.00 C ATOM 753 C ARG A 51 -0.789 -2.071 5.078 1.00 0.00 C ATOM 754 O ARG A 51 -0.035 -3.039 5.171 1.00 0.00 O ATOM 755 CB ARG A 51 0.083 0.210 5.587 1.00 0.00 C ATOM 756 CG ARG A 51 1.345 0.997 5.228 1.00 0.00 C ATOM 757 CD ARG A 51 1.221 2.459 5.664 1.00 0.00 C ATOM 758 NE ARG A 51 2.562 3.016 5.952 1.00 0.00 N ATOM 759 CZ ARG A 51 2.776 4.124 6.675 1.00 0.00 C ATOM 760 NH1 ARG A 51 1.739 4.799 7.188 1.00 0.00 N ATOM 761 NH2 ARG A 51 4.027 4.556 6.885 1.00 0.00 N ATOM 0 H ARG A 51 -1.510 0.800 3.766 1.00 0.00 H new ATOM 0 HA ARG A 51 0.585 -0.949 3.852 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.741 0.900 5.770 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.246 -0.344 6.511 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.211 0.542 5.709 1.00 0.00 H new ATOM 0 HG3 ARG A 51 1.515 0.947 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.737 3.041 4.880 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.590 2.531 6.550 1.00 0.00 H new ATOM 0 HE ARG A 51 3.374 2.526 5.577 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.787 4.470 7.028 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.901 5.642 7.738 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.816 4.042 6.495 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.190 5.399 7.435 1.00 0.00 H new ATOM 775 N GLU A 52 -2.051 -2.062 5.481 1.00 0.00 N ATOM 776 CA GLU A 52 -2.653 -3.240 6.083 1.00 0.00 C ATOM 777 C GLU A 52 -2.736 -4.374 5.060 1.00 0.00 C ATOM 778 O GLU A 52 -2.467 -5.530 5.386 1.00 0.00 O ATOM 779 CB GLU A 52 -4.034 -2.917 6.657 1.00 0.00 C ATOM 780 CG GLU A 52 -5.105 -2.961 5.566 1.00 0.00 C ATOM 781 CD GLU A 52 -6.456 -2.485 6.105 1.00 0.00 C ATOM 782 OE1 GLU A 52 -6.444 -1.505 6.881 1.00 0.00 O ATOM 783 OE2 GLU A 52 -7.470 -3.112 5.728 1.00 0.00 O ATOM 0 H GLU A 52 -2.673 -1.258 5.403 1.00 0.00 H new ATOM 0 HA GLU A 52 -2.020 -3.567 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -4.281 -3.631 7.443 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.019 -1.929 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.802 -2.333 4.728 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.199 -3.978 5.185 1.00 0.00 H new ATOM 790 N LEU A 53 -3.110 -4.006 3.843 1.00 0.00 N ATOM 791 CA LEU A 53 -3.232 -4.978 2.771 1.00 0.00 C ATOM 792 C LEU A 53 -1.949 -5.809 2.693 1.00 0.00 C ATOM 793 O LEU A 53 -1.996 -7.037 2.752 1.00 0.00 O ATOM 794 CB LEU A 53 -3.596 -4.284 1.457 1.00 0.00 C ATOM 795 CG LEU A 53 -5.037 -4.467 0.978 1.00 0.00 C ATOM 796 CD1 LEU A 53 -5.565 -3.187 0.328 1.00 0.00 C ATOM 797 CD2 LEU A 53 -5.157 -5.675 0.047 1.00 0.00 C ATOM 0 H LEU A 53 -3.333 -3.047 3.576 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.049 -5.670 2.976 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.404 -3.217 1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.926 -4.650 0.679 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.663 -4.668 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -6.591 -3.344 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.538 -2.373 1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -4.942 -2.930 -0.529 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -6.192 -5.782 -0.279 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.516 -5.529 -0.823 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.849 -6.576 0.578 1.00 0.00 H new ATOM 809 N LEU A 54 -0.834 -5.106 2.562 1.00 0.00 N ATOM 810 CA LEU A 54 0.459 -5.763 2.476 1.00 0.00 C ATOM 811 C LEU A 54 0.637 -6.690 3.680 1.00 0.00 C ATOM 812 O LEU A 54 1.297 -7.724 3.580 1.00 0.00 O ATOM 813 CB LEU A 54 1.577 -4.729 2.326 1.00 0.00 C ATOM 814 CG LEU A 54 1.571 -3.919 1.028 1.00 0.00 C ATOM 815 CD1 LEU A 54 2.997 -3.594 0.578 1.00 0.00 C ATOM 816 CD2 LEU A 54 0.775 -4.637 -0.063 1.00 0.00 C ATOM 0 H LEU A 54 -0.799 -4.088 2.513 1.00 0.00 H new ATOM 0 HA LEU A 54 0.510 -6.386 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.518 -4.035 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 54 2.534 -5.244 2.405 1.00 0.00 H new ATOM 0 HG LEU A 54 1.070 -2.970 1.220 1.00 0.00 H new ATOM 0 HD11 LEU A 54 2.964 -3.018 -0.347 1.00 0.00 H new ATOM 0 HD12 LEU A 54 3.499 -3.012 1.351 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.545 -4.521 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 54 0.787 -4.040 -0.975 1.00 0.00 H new ATOM 0 HD22 LEU A 54 1.225 -5.610 -0.261 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.255 -4.774 0.268 1.00 0.00 H new ATOM 828 N GLU A 55 0.036 -6.288 4.790 1.00 0.00 N ATOM 829 CA GLU A 55 0.119 -7.070 6.012 1.00 0.00 C ATOM 830 C GLU A 55 -0.716 -8.345 5.884 1.00 0.00 C ATOM 831 O GLU A 55 -0.211 -9.446 6.098 1.00 0.00 O ATOM 832 CB GLU A 55 -0.322 -6.244 7.222 1.00 0.00 C ATOM 833 CG GLU A 55 0.876 -5.869 8.097 1.00 0.00 C ATOM 834 CD GLU A 55 0.949 -6.761 9.338 1.00 0.00 C ATOM 835 OE1 GLU A 55 0.067 -6.595 10.208 1.00 0.00 O ATOM 836 OE2 GLU A 55 1.885 -7.587 9.389 1.00 0.00 O ATOM 0 H GLU A 55 -0.511 -5.431 4.869 1.00 0.00 H new ATOM 0 HA GLU A 55 1.159 -7.355 6.168 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.827 -5.339 6.884 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.043 -6.811 7.811 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.796 -5.966 7.521 1.00 0.00 H new ATOM 0 HG3 GLU A 55 0.797 -4.825 8.399 1.00 0.00 H new ATOM 843 N GLN A 56 -1.980 -8.154 5.535 1.00 0.00 N ATOM 844 CA GLN A 56 -2.890 -9.276 5.376 1.00 0.00 C ATOM 845 C GLN A 56 -2.432 -10.171 4.222 1.00 0.00 C ATOM 846 O GLN A 56 -2.445 -11.396 4.340 1.00 0.00 O ATOM 847 CB GLN A 56 -4.325 -8.791 5.157 1.00 0.00 C ATOM 848 CG GLN A 56 -4.855 -8.072 6.399 1.00 0.00 C ATOM 849 CD GLN A 56 -5.501 -9.061 7.372 1.00 0.00 C ATOM 850 OE1 GLN A 56 -6.137 -10.027 6.983 1.00 0.00 O ATOM 851 NE2 GLN A 56 -5.304 -8.767 8.653 1.00 0.00 N ATOM 0 H GLN A 56 -2.395 -7.239 5.358 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.876 -9.864 6.294 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.359 -8.118 4.300 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -4.968 -9.639 4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -4.039 -7.548 6.896 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -5.585 -7.318 6.103 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.761 -7.942 8.909 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -5.696 -9.366 9.380 1.00 0.00 H new ATOM 860 N MET A 57 -2.039 -9.526 3.134 1.00 0.00 N ATOM 861 CA MET A 57 -1.578 -10.248 1.961 1.00 0.00 C ATOM 862 C MET A 57 -0.344 -11.093 2.286 1.00 0.00 C ATOM 863 O MET A 57 -0.224 -12.226 1.823 1.00 0.00 O ATOM 864 CB MET A 57 -1.237 -9.253 0.850 1.00 0.00 C ATOM 865 CG MET A 57 -2.507 -8.712 0.190 1.00 0.00 C ATOM 866 SD MET A 57 -2.134 -8.113 -1.450 1.00 0.00 S ATOM 867 CE MET A 57 -1.452 -6.513 -1.048 1.00 0.00 C ATOM 0 H MET A 57 -2.030 -8.510 3.040 1.00 0.00 H new ATOM 0 HA MET A 57 -2.375 -10.915 1.632 1.00 0.00 H new ATOM 0 HB2 MET A 57 -0.657 -8.427 1.262 1.00 0.00 H new ATOM 0 HB3 MET A 57 -0.612 -9.739 0.101 1.00 0.00 H new ATOM 0 HG2 MET A 57 -3.262 -9.497 0.137 1.00 0.00 H new ATOM 0 HG3 MET A 57 -2.926 -7.907 0.794 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.585 -6.318 -1.680 1.00 0.00 H new ATOM 0 HE2 MET A 57 -2.205 -5.743 -1.217 1.00 0.00 H new ATOM 0 HE3 MET A 57 -1.148 -6.500 -0.001 1.00 0.00 H new ATOM 877 N ASP A 58 0.540 -10.509 3.081 1.00 0.00 N ATOM 878 CA ASP A 58 1.760 -11.194 3.474 1.00 0.00 C ATOM 879 C ASP A 58 1.444 -12.186 4.596 1.00 0.00 C ATOM 880 O ASP A 58 1.934 -13.314 4.587 1.00 0.00 O ATOM 881 CB ASP A 58 2.803 -10.204 3.998 1.00 0.00 C ATOM 882 CG ASP A 58 4.229 -10.752 4.082 1.00 0.00 C ATOM 883 OD1 ASP A 58 4.479 -11.541 5.019 1.00 0.00 O ATOM 884 OD2 ASP A 58 5.036 -10.370 3.208 1.00 0.00 O ATOM 0 H ASP A 58 0.436 -9.569 3.464 1.00 0.00 H new ATOM 0 HA ASP A 58 2.157 -11.706 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.805 -9.326 3.353 1.00 0.00 H new ATOM 0 HB3 ASP A 58 2.499 -9.870 4.990 1.00 0.00 H new ATOM 889 N LEU A 59 0.628 -11.729 5.534 1.00 0.00 N ATOM 890 CA LEU A 59 0.241 -12.562 6.660 1.00 0.00 C ATOM 891 C LEU A 59 -0.595 -13.739 6.154 1.00 0.00 C ATOM 892 O LEU A 59 -0.872 -14.675 6.902 1.00 0.00 O ATOM 893 CB LEU A 59 -0.462 -11.724 7.730 1.00 0.00 C ATOM 894 CG LEU A 59 0.432 -10.777 8.534 1.00 0.00 C ATOM 895 CD1 LEU A 59 -0.360 -9.564 9.028 1.00 0.00 C ATOM 896 CD2 LEU A 59 1.123 -11.516 9.681 1.00 0.00 C ATOM 0 H LEU A 59 0.224 -10.792 5.538 1.00 0.00 H new ATOM 0 HA LEU A 59 1.123 -12.981 7.145 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.241 -11.134 7.248 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.959 -12.401 8.425 1.00 0.00 H new ATOM 0 HG LEU A 59 1.215 -10.404 7.874 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.298 -8.907 9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.765 -9.021 8.174 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.178 -9.899 9.666 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.752 -10.820 10.236 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.371 -11.936 10.348 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.739 -12.319 9.277 1.00 0.00 H new ATOM 908 N GLU A 60 -0.973 -13.654 4.887 1.00 0.00 N ATOM 909 CA GLU A 60 -1.772 -14.701 4.272 1.00 0.00 C ATOM 910 C GLU A 60 -0.886 -15.615 3.423 1.00 0.00 C ATOM 911 O GLU A 60 -0.922 -16.835 3.573 1.00 0.00 O ATOM 912 CB GLU A 60 -2.907 -14.106 3.437 1.00 0.00 C ATOM 913 CG GLU A 60 -4.021 -13.563 4.333 1.00 0.00 C ATOM 914 CD GLU A 60 -5.253 -14.470 4.287 1.00 0.00 C ATOM 915 OE1 GLU A 60 -5.721 -14.733 3.158 1.00 0.00 O ATOM 916 OE2 GLU A 60 -5.698 -14.878 5.381 1.00 0.00 O ATOM 0 H GLU A 60 -0.741 -12.876 4.269 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.224 -15.299 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -2.519 -13.305 2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.311 -14.868 2.770 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.661 -13.484 5.359 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.293 -12.557 4.012 1.00 0.00 H new ATOM 923 N VAL A 61 -0.112 -14.989 2.548 1.00 0.00 N ATOM 924 CA VAL A 61 0.781 -15.730 1.674 1.00 0.00 C ATOM 925 C VAL A 61 1.597 -16.721 2.508 1.00 0.00 C ATOM 926 O VAL A 61 2.088 -17.720 1.985 1.00 0.00 O ATOM 927 CB VAL A 61 1.655 -14.761 0.875 1.00 0.00 C ATOM 928 CG1 VAL A 61 3.076 -15.306 0.717 1.00 0.00 C ATOM 929 CG2 VAL A 61 1.030 -14.457 -0.488 1.00 0.00 C ATOM 0 H VAL A 61 -0.085 -13.977 2.426 1.00 0.00 H new ATOM 0 HA VAL A 61 0.211 -16.308 0.947 1.00 0.00 H new ATOM 0 HB VAL A 61 1.715 -13.826 1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.676 -14.598 0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.523 -15.448 1.701 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.043 -16.261 0.192 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.671 -13.766 -1.036 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.925 -15.382 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 61 0.048 -14.006 -0.346 1.00 0.00 H new ATOM 939 N ARG A 62 1.714 -16.410 3.790 1.00 0.00 N ATOM 940 CA ARG A 62 2.462 -17.261 4.701 1.00 0.00 C ATOM 941 C ARG A 62 1.824 -18.650 4.773 1.00 0.00 C ATOM 942 O ARG A 62 2.502 -19.659 4.585 1.00 0.00 O ATOM 943 CB ARG A 62 2.510 -16.656 6.105 1.00 0.00 C ATOM 944 CG ARG A 62 3.526 -15.513 6.175 1.00 0.00 C ATOM 945 CD ARG A 62 4.229 -15.488 7.534 1.00 0.00 C ATOM 946 NE ARG A 62 3.388 -14.782 8.526 1.00 0.00 N ATOM 947 CZ ARG A 62 3.706 -14.649 9.821 1.00 0.00 C ATOM 948 NH1 ARG A 62 4.847 -15.173 10.288 1.00 0.00 N ATOM 949 NH2 ARG A 62 2.881 -13.992 10.649 1.00 0.00 N ATOM 0 H ARG A 62 1.304 -15.581 4.220 1.00 0.00 H new ATOM 0 HA ARG A 62 3.479 -17.344 4.319 1.00 0.00 H new ATOM 0 HB2 ARG A 62 1.522 -16.287 6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.774 -17.427 6.828 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.264 -15.629 5.382 1.00 0.00 H new ATOM 0 HG3 ARG A 62 3.021 -14.562 6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.425 -16.506 7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.195 -14.991 7.444 1.00 0.00 H new ATOM 0 HE ARG A 62 2.512 -14.371 8.204 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.474 -15.673 9.658 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.089 -15.072 11.274 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.012 -13.594 10.293 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.122 -13.890 11.635 1.00 0.00 H new ATOM 963 N GLU A 63 0.528 -18.657 5.048 1.00 0.00 N ATOM 964 CA GLU A 63 -0.209 -19.906 5.147 1.00 0.00 C ATOM 965 C GLU A 63 -0.204 -20.634 3.802 1.00 0.00 C ATOM 966 O GLU A 63 -0.235 -21.863 3.757 1.00 0.00 O ATOM 967 CB GLU A 63 -1.639 -19.661 5.633 1.00 0.00 C ATOM 968 CG GLU A 63 -2.557 -19.284 4.468 1.00 0.00 C ATOM 969 CD GLU A 63 -3.254 -20.521 3.897 1.00 0.00 C ATOM 970 OE1 GLU A 63 -2.626 -21.600 3.946 1.00 0.00 O ATOM 971 OE2 GLU A 63 -4.400 -20.358 3.425 1.00 0.00 O ATOM 0 H GLU A 63 -0.031 -17.818 5.205 1.00 0.00 H new ATOM 0 HA GLU A 63 0.286 -20.540 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.018 -20.557 6.124 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -1.643 -18.864 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -3.303 -18.565 4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -1.976 -18.796 3.686 1.00 0.00 H new ATOM 978 N ILE A 64 -0.164 -19.845 2.738 1.00 0.00 N ATOM 979 CA ILE A 64 -0.154 -20.400 1.395 1.00 0.00 C ATOM 980 C ILE A 64 1.019 -21.373 1.259 1.00 0.00 C ATOM 981 O ILE A 64 2.098 -21.130 1.797 1.00 0.00 O ATOM 982 CB ILE A 64 -0.147 -19.280 0.353 1.00 0.00 C ATOM 983 CG1 ILE A 64 -1.413 -18.427 0.457 1.00 0.00 C ATOM 984 CG2 ILE A 64 0.051 -19.843 -1.056 1.00 0.00 C ATOM 985 CD1 ILE A 64 -1.760 -17.794 -0.892 1.00 0.00 C ATOM 0 H ILE A 64 -0.138 -18.826 2.779 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.065 -20.970 1.211 1.00 0.00 H new ATOM 0 HB ILE A 64 0.700 -18.626 0.560 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.244 -19.044 0.798 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -1.269 -17.646 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.052 -19.026 -1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.003 -20.372 -1.106 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -0.760 -20.532 -1.290 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.664 -17.193 -0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.937 -17.159 -1.218 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.927 -18.579 -1.630 1.00 0.00 H new ATOM 997 N PRO A 65 0.760 -22.484 0.517 1.00 0.00 N ATOM 998 CA PRO A 65 1.782 -23.495 0.303 1.00 0.00 C ATOM 999 C PRO A 65 2.822 -23.017 -0.711 1.00 0.00 C ATOM 1000 O PRO A 65 2.595 -22.043 -1.427 1.00 0.00 O ATOM 1001 CB PRO A 65 1.023 -24.728 -0.160 1.00 0.00 C ATOM 1002 CG PRO A 65 -0.333 -24.230 -0.633 1.00 0.00 C ATOM 1003 CD PRO A 65 -0.506 -22.805 -0.135 1.00 0.00 C ATOM 0 HA PRO A 65 2.356 -23.711 1.204 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.555 -25.235 -0.965 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.913 -25.447 0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.394 -24.264 -1.721 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.129 -24.868 -0.249 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.712 -22.120 -0.958 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.341 -22.728 0.561 1.00 0.00 H new ATOM 1011 N PRO A 66 3.971 -23.744 -0.742 1.00 0.00 N ATOM 1012 CA PRO A 66 5.048 -23.405 -1.657 1.00 0.00 C ATOM 1013 C PRO A 66 4.704 -23.824 -3.087 1.00 0.00 C ATOM 1014 O PRO A 66 5.527 -23.692 -3.992 1.00 0.00 O ATOM 1015 CB PRO A 66 6.272 -24.118 -1.106 1.00 0.00 C ATOM 1016 CG PRO A 66 5.742 -25.199 -0.178 1.00 0.00 C ATOM 1017 CD PRO A 66 4.275 -24.904 0.091 1.00 0.00 C ATOM 0 HA PRO A 66 5.225 -22.331 -1.720 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.867 -24.551 -1.910 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.919 -23.425 -0.569 1.00 0.00 H new ATOM 0 HG2 PRO A 66 5.856 -26.183 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 66 6.306 -25.212 0.755 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.646 -25.755 -0.170 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.101 -24.691 1.146 1.00 0.00 H new ATOM 1025 N GLN A 67 3.486 -24.322 -3.248 1.00 0.00 N ATOM 1026 CA GLN A 67 3.024 -24.762 -4.553 1.00 0.00 C ATOM 1027 C GLN A 67 1.963 -23.800 -5.092 1.00 0.00 C ATOM 1028 O GLN A 67 1.670 -23.799 -6.287 1.00 0.00 O ATOM 1029 CB GLN A 67 2.485 -26.192 -4.490 1.00 0.00 C ATOM 1030 CG GLN A 67 1.094 -26.227 -3.853 1.00 0.00 C ATOM 1031 CD GLN A 67 0.000 -26.164 -4.920 1.00 0.00 C ATOM 1032 OE1 GLN A 67 0.207 -25.706 -6.032 1.00 0.00 O ATOM 1033 NE2 GLN A 67 -1.173 -26.647 -4.522 1.00 0.00 N ATOM 0 H GLN A 67 2.806 -24.430 -2.496 1.00 0.00 H new ATOM 0 HA GLN A 67 3.872 -24.758 -5.238 1.00 0.00 H new ATOM 0 HB2 GLN A 67 2.439 -26.612 -5.495 1.00 0.00 H new ATOM 0 HB3 GLN A 67 3.168 -26.817 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 67 0.982 -27.138 -3.266 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.984 -25.389 -3.165 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.278 -27.016 -3.577 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.967 -26.649 -5.162 1.00 0.00 H new ATOM 1042 N SER A 68 1.417 -23.003 -4.185 1.00 0.00 N ATOM 1043 CA SER A 68 0.395 -22.038 -4.554 1.00 0.00 C ATOM 1044 C SER A 68 0.921 -20.616 -4.352 1.00 0.00 C ATOM 1045 O SER A 68 0.303 -19.652 -4.800 1.00 0.00 O ATOM 1046 CB SER A 68 -0.884 -22.252 -3.742 1.00 0.00 C ATOM 1047 OG SER A 68 -2.055 -22.005 -4.516 1.00 0.00 O ATOM 0 H SER A 68 1.663 -23.006 -3.195 1.00 0.00 H new ATOM 0 HA SER A 68 0.152 -22.182 -5.607 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.907 -23.275 -3.365 1.00 0.00 H new ATOM 0 HB3 SER A 68 -0.877 -21.593 -2.874 1.00 0.00 H new ATOM 0 HG SER A 68 -2.850 -22.154 -3.963 1.00 0.00 H new ATOM 1053 N ARG A 69 2.057 -20.530 -3.675 1.00 0.00 N ATOM 1054 CA ARG A 69 2.673 -19.242 -3.408 1.00 0.00 C ATOM 1055 C ARG A 69 3.244 -18.648 -4.697 1.00 0.00 C ATOM 1056 O ARG A 69 3.476 -17.443 -4.781 1.00 0.00 O ATOM 1057 CB ARG A 69 3.794 -19.371 -2.374 1.00 0.00 C ATOM 1058 CG ARG A 69 3.552 -18.441 -1.184 1.00 0.00 C ATOM 1059 CD ARG A 69 4.723 -18.493 -0.200 1.00 0.00 C ATOM 1060 NE ARG A 69 5.832 -17.644 -0.689 1.00 0.00 N ATOM 1061 CZ ARG A 69 6.954 -17.401 0.003 1.00 0.00 C ATOM 1062 NH1 ARG A 69 7.121 -17.941 1.218 1.00 0.00 N ATOM 1063 NH2 ARG A 69 7.907 -16.618 -0.519 1.00 0.00 N ATOM 0 H ARG A 69 2.567 -21.332 -3.304 1.00 0.00 H new ATOM 0 HA ARG A 69 1.901 -18.582 -3.011 1.00 0.00 H new ATOM 0 HB2 ARG A 69 3.857 -20.402 -2.027 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.751 -19.132 -2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 69 3.415 -17.419 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.632 -18.728 -0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 69 4.398 -18.151 0.783 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.065 -19.521 -0.083 1.00 0.00 H new ATOM 0 HE ARG A 69 5.737 -17.217 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.395 -18.537 1.616 1.00 0.00 H new ATOM 0 HH12 ARG A 69 7.975 -17.757 1.745 1.00 0.00 H new ATOM 0 HH21 ARG A 69 7.779 -16.206 -1.443 1.00 0.00 H new ATOM 0 HH22 ARG A 69 8.761 -16.433 0.008 1.00 0.00 H new ATOM 1077 N GLY A 70 3.454 -19.522 -5.671 1.00 0.00 N ATOM 1078 CA GLY A 70 3.993 -19.099 -6.952 1.00 0.00 C ATOM 1079 C GLY A 70 3.406 -17.751 -7.376 1.00 0.00 C ATOM 1080 O GLY A 70 2.237 -17.470 -7.117 1.00 0.00 O ATOM 0 H GLY A 70 3.261 -20.521 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 70 5.078 -19.023 -6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 70 3.772 -19.851 -7.710 1.00 0.00 H new ATOM 1084 N MET A 71 4.244 -16.954 -8.022 1.00 0.00 N ATOM 1085 CA MET A 71 3.823 -15.643 -8.485 1.00 0.00 C ATOM 1086 C MET A 71 3.562 -14.703 -7.306 1.00 0.00 C ATOM 1087 O MET A 71 4.204 -13.661 -7.184 1.00 0.00 O ATOM 1088 CB MET A 71 2.549 -15.781 -9.320 1.00 0.00 C ATOM 1089 CG MET A 71 2.841 -15.567 -10.807 1.00 0.00 C ATOM 1090 SD MET A 71 3.107 -17.139 -11.609 1.00 0.00 S ATOM 1091 CE MET A 71 3.951 -16.596 -13.084 1.00 0.00 C ATOM 0 H MET A 71 5.213 -17.191 -8.236 1.00 0.00 H new ATOM 0 HA MET A 71 4.622 -15.219 -9.093 1.00 0.00 H new ATOM 0 HB2 MET A 71 2.117 -16.770 -9.169 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.809 -15.055 -8.983 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.008 -15.045 -11.278 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.721 -14.935 -10.926 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.193 -17.460 -13.704 1.00 0.00 H new ATOM 0 HE2 MET A 71 3.307 -15.917 -13.643 1.00 0.00 H new ATOM 0 HE3 MET A 71 4.870 -16.079 -12.808 1.00 0.00 H new ATOM 1101 N TYR A 72 2.618 -15.105 -6.468 1.00 0.00 N ATOM 1102 CA TYR A 72 2.264 -14.312 -5.303 1.00 0.00 C ATOM 1103 C TYR A 72 3.508 -13.690 -4.665 1.00 0.00 C ATOM 1104 O TYR A 72 3.485 -12.531 -4.254 1.00 0.00 O ATOM 1105 CB TYR A 72 1.628 -15.285 -4.308 1.00 0.00 C ATOM 1106 CG TYR A 72 0.488 -14.679 -3.487 1.00 0.00 C ATOM 1107 CD1 TYR A 72 0.556 -13.362 -3.081 1.00 0.00 C ATOM 1108 CD2 TYR A 72 -0.607 -15.449 -3.152 1.00 0.00 C ATOM 1109 CE1 TYR A 72 -0.517 -12.791 -2.308 1.00 0.00 C ATOM 1110 CE2 TYR A 72 -1.680 -14.878 -2.379 1.00 0.00 C ATOM 1111 CZ TYR A 72 -1.582 -13.577 -1.995 1.00 0.00 C ATOM 1112 OH TYR A 72 -2.595 -13.038 -1.265 1.00 0.00 O ATOM 0 H TYR A 72 2.087 -15.970 -6.573 1.00 0.00 H new ATOM 0 HA TYR A 72 1.592 -13.500 -5.581 1.00 0.00 H new ATOM 0 HB2 TYR A 72 1.250 -16.150 -4.853 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.398 -15.648 -3.628 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.413 -12.760 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.660 -16.480 -3.469 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -0.477 -11.761 -1.984 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -2.543 -15.470 -2.110 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.288 -13.715 -1.118 1.00 0.00 H new ATOM 1122 N SER A 73 4.564 -14.488 -4.601 1.00 0.00 N ATOM 1123 CA SER A 73 5.814 -14.030 -4.020 1.00 0.00 C ATOM 1124 C SER A 73 6.445 -12.960 -4.914 1.00 0.00 C ATOM 1125 O SER A 73 6.808 -11.884 -4.439 1.00 0.00 O ATOM 1126 CB SER A 73 6.787 -15.193 -3.818 1.00 0.00 C ATOM 1127 OG SER A 73 8.139 -14.752 -3.745 1.00 0.00 O ATOM 0 H SER A 73 4.579 -15.449 -4.942 1.00 0.00 H new ATOM 0 HA SER A 73 5.599 -13.598 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 73 6.530 -15.726 -2.903 1.00 0.00 H new ATOM 0 HB3 SER A 73 6.681 -15.901 -4.640 1.00 0.00 H new ATOM 0 HG SER A 73 8.728 -15.524 -3.614 1.00 0.00 H new ATOM 1133 N ASN A 74 6.557 -13.292 -6.191 1.00 0.00 N ATOM 1134 CA ASN A 74 7.138 -12.373 -7.155 1.00 0.00 C ATOM 1135 C ASN A 74 6.309 -11.087 -7.192 1.00 0.00 C ATOM 1136 O ASN A 74 6.817 -10.027 -7.555 1.00 0.00 O ATOM 1137 CB ASN A 74 7.137 -12.976 -8.561 1.00 0.00 C ATOM 1138 CG ASN A 74 8.471 -12.723 -9.267 1.00 0.00 C ATOM 1139 OD1 ASN A 74 9.184 -11.775 -8.981 1.00 0.00 O ATOM 1140 ND2 ASN A 74 8.766 -13.621 -10.203 1.00 0.00 N ATOM 0 H ASN A 74 6.255 -14.185 -6.581 1.00 0.00 H new ATOM 0 HA ASN A 74 8.165 -12.170 -6.850 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.951 -14.048 -8.501 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.325 -12.544 -9.145 1.00 0.00 H new ATOM 0 HD21 ASN A 74 9.634 -13.540 -10.732 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.124 -14.391 -10.392 1.00 0.00 H new ATOM 1147 N ARG A 75 5.048 -11.224 -6.810 1.00 0.00 N ATOM 1148 CA ARG A 75 4.144 -10.086 -6.795 1.00 0.00 C ATOM 1149 C ARG A 75 4.301 -9.301 -5.491 1.00 0.00 C ATOM 1150 O ARG A 75 4.151 -8.080 -5.475 1.00 0.00 O ATOM 1151 CB ARG A 75 2.689 -10.537 -6.939 1.00 0.00 C ATOM 1152 CG ARG A 75 2.105 -10.085 -8.279 1.00 0.00 C ATOM 1153 CD ARG A 75 0.671 -10.590 -8.450 1.00 0.00 C ATOM 1154 NE ARG A 75 0.671 -11.880 -9.176 1.00 0.00 N ATOM 1155 CZ ARG A 75 -0.438 -12.543 -9.529 1.00 0.00 C ATOM 1156 NH1 ARG A 75 -1.643 -12.044 -9.225 1.00 0.00 N ATOM 1157 NH2 ARG A 75 -0.342 -13.707 -10.187 1.00 0.00 N ATOM 0 H ARG A 75 4.631 -12.105 -6.509 1.00 0.00 H new ATOM 0 HA ARG A 75 4.400 -9.447 -7.641 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.632 -11.623 -6.861 1.00 0.00 H new ATOM 0 HB3 ARG A 75 2.095 -10.127 -6.122 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.121 -8.997 -8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.725 -10.457 -9.094 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.201 -10.713 -7.474 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.081 -9.855 -8.998 1.00 0.00 H new ATOM 0 HE ARG A 75 1.572 -12.290 -9.423 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -1.717 -11.158 -8.724 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.487 -12.550 -9.494 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.575 -14.088 -10.419 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.186 -14.212 -10.456 1.00 0.00 H new ATOM 1171 N MET A 76 4.600 -10.034 -4.428 1.00 0.00 N ATOM 1172 CA MET A 76 4.779 -9.422 -3.123 1.00 0.00 C ATOM 1173 C MET A 76 5.980 -8.474 -3.122 1.00 0.00 C ATOM 1174 O MET A 76 5.850 -7.302 -2.772 1.00 0.00 O ATOM 1175 CB MET A 76 4.989 -10.513 -2.071 1.00 0.00 C ATOM 1176 CG MET A 76 3.666 -10.887 -1.398 1.00 0.00 C ATOM 1177 SD MET A 76 3.656 -10.310 0.291 1.00 0.00 S ATOM 1178 CE MET A 76 2.097 -9.441 0.312 1.00 0.00 C ATOM 0 H MET A 76 4.723 -11.046 -4.445 1.00 0.00 H new ATOM 0 HA MET A 76 3.884 -8.846 -2.888 1.00 0.00 H new ATOM 0 HB2 MET A 76 5.425 -11.395 -2.539 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.699 -10.167 -1.319 1.00 0.00 H new ATOM 0 HG2 MET A 76 2.833 -10.447 -1.946 1.00 0.00 H new ATOM 0 HG3 MET A 76 3.529 -11.968 -1.423 1.00 0.00 H new ATOM 0 HE1 MET A 76 1.915 -9.045 1.311 1.00 0.00 H new ATOM 0 HE2 MET A 76 2.129 -8.620 -0.404 1.00 0.00 H new ATOM 0 HE3 MET A 76 1.294 -10.127 0.042 1.00 0.00 H new ATOM 1188 N ARG A 77 7.122 -9.017 -3.518 1.00 0.00 N ATOM 1189 CA ARG A 77 8.345 -8.234 -3.567 1.00 0.00 C ATOM 1190 C ARG A 77 8.110 -6.929 -4.330 1.00 0.00 C ATOM 1191 O ARG A 77 8.749 -5.917 -4.047 1.00 0.00 O ATOM 1192 CB ARG A 77 9.473 -9.016 -4.243 1.00 0.00 C ATOM 1193 CG ARG A 77 9.420 -8.850 -5.763 1.00 0.00 C ATOM 1194 CD ARG A 77 10.181 -7.598 -6.204 1.00 0.00 C ATOM 1195 NE ARG A 77 11.044 -7.912 -7.364 1.00 0.00 N ATOM 1196 CZ ARG A 77 10.633 -7.872 -8.639 1.00 0.00 C ATOM 1197 NH1 ARG A 77 9.369 -7.532 -8.925 1.00 0.00 N ATOM 1198 NH2 ARG A 77 11.486 -8.174 -9.628 1.00 0.00 N ATOM 0 H ARG A 77 7.226 -9.989 -3.808 1.00 0.00 H new ATOM 0 HA ARG A 77 8.637 -8.011 -2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 77 10.436 -8.669 -3.869 1.00 0.00 H new ATOM 0 HB3 ARG A 77 9.393 -10.072 -3.986 1.00 0.00 H new ATOM 0 HG2 ARG A 77 9.849 -9.729 -6.244 1.00 0.00 H new ATOM 0 HG3 ARG A 77 8.382 -8.783 -6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.477 -6.809 -6.467 1.00 0.00 H new ATOM 0 HD3 ARG A 77 10.788 -7.222 -5.380 1.00 0.00 H new ATOM 0 HE ARG A 77 12.012 -8.175 -7.182 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.720 -7.304 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.056 -7.502 -9.895 1.00 0.00 H new ATOM 0 HH21 ARG A 77 12.448 -8.434 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 77 11.173 -8.144 -10.598 1.00 0.00 H new ATOM 1212 N SER A 78 7.191 -6.995 -5.282 1.00 0.00 N ATOM 1213 CA SER A 78 6.864 -5.831 -6.088 1.00 0.00 C ATOM 1214 C SER A 78 5.979 -4.873 -5.288 1.00 0.00 C ATOM 1215 O SER A 78 6.375 -3.742 -5.009 1.00 0.00 O ATOM 1216 CB SER A 78 6.166 -6.239 -7.387 1.00 0.00 C ATOM 1217 OG SER A 78 5.520 -5.135 -8.015 1.00 0.00 O ATOM 0 H SER A 78 6.663 -7.836 -5.513 1.00 0.00 H new ATOM 0 HA SER A 78 7.793 -5.324 -6.350 1.00 0.00 H new ATOM 0 HB2 SER A 78 6.897 -6.669 -8.072 1.00 0.00 H new ATOM 0 HB3 SER A 78 5.432 -7.016 -7.175 1.00 0.00 H new ATOM 0 HG SER A 78 5.088 -5.436 -8.841 1.00 0.00 H new ATOM 1223 N TYR A 79 4.796 -5.360 -4.941 1.00 0.00 N ATOM 1224 CA TYR A 79 3.852 -4.562 -4.179 1.00 0.00 C ATOM 1225 C TYR A 79 4.571 -3.721 -3.123 1.00 0.00 C ATOM 1226 O TYR A 79 4.191 -2.580 -2.867 1.00 0.00 O ATOM 1227 CB TYR A 79 2.926 -5.558 -3.478 1.00 0.00 C ATOM 1228 CG TYR A 79 2.063 -6.384 -4.433 1.00 0.00 C ATOM 1229 CD1 TYR A 79 1.645 -5.840 -5.631 1.00 0.00 C ATOM 1230 CD2 TYR A 79 1.701 -7.673 -4.097 1.00 0.00 C ATOM 1231 CE1 TYR A 79 0.832 -6.618 -6.530 1.00 0.00 C ATOM 1232 CE2 TYR A 79 0.888 -8.450 -4.996 1.00 0.00 C ATOM 1233 CZ TYR A 79 0.493 -7.884 -6.168 1.00 0.00 C ATOM 1234 OH TYR A 79 -0.274 -8.618 -7.017 1.00 0.00 O ATOM 0 H TYR A 79 4.470 -6.298 -5.174 1.00 0.00 H new ATOM 0 HA TYR A 79 3.311 -3.879 -4.834 1.00 0.00 H new ATOM 0 HB2 TYR A 79 3.529 -6.235 -2.872 1.00 0.00 H new ATOM 0 HB3 TYR A 79 2.274 -5.014 -2.795 1.00 0.00 H new ATOM 0 HD1 TYR A 79 1.928 -4.831 -5.894 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.028 -8.099 -3.160 1.00 0.00 H new ATOM 0 HE1 TYR A 79 0.499 -6.205 -7.471 1.00 0.00 H new ATOM 0 HE2 TYR A 79 0.598 -9.460 -4.745 1.00 0.00 H new ATOM 0 HH TYR A 79 -0.480 -8.086 -7.814 1.00 0.00 H new ATOM 1244 N LYS A 80 5.599 -4.318 -2.537 1.00 0.00 N ATOM 1245 CA LYS A 80 6.376 -3.639 -1.514 1.00 0.00 C ATOM 1246 C LYS A 80 7.233 -2.553 -2.167 1.00 0.00 C ATOM 1247 O LYS A 80 7.255 -1.413 -1.706 1.00 0.00 O ATOM 1248 CB LYS A 80 7.182 -4.649 -0.694 1.00 0.00 C ATOM 1249 CG LYS A 80 6.465 -4.991 0.613 1.00 0.00 C ATOM 1250 CD LYS A 80 6.045 -6.462 0.640 1.00 0.00 C ATOM 1251 CE LYS A 80 4.974 -6.707 1.705 1.00 0.00 C ATOM 1252 NZ LYS A 80 5.497 -7.589 2.772 1.00 0.00 N ATOM 0 H LYS A 80 5.912 -5.265 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 80 5.717 -3.141 -0.803 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.335 -5.557 -1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 80 8.169 -4.241 -0.476 1.00 0.00 H new ATOM 0 HG2 LYS A 80 7.121 -4.781 1.458 1.00 0.00 H new ATOM 0 HG3 LYS A 80 5.586 -4.356 0.727 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.663 -6.753 -0.339 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.914 -7.088 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.655 -5.757 2.134 1.00 0.00 H new ATOM 0 HE3 LYS A 80 4.095 -7.161 1.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.120 -7.283 3.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 5.204 -8.569 2.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 6.535 -7.536 2.789 1.00 0.00 H new ATOM 1266 N GLN A 81 7.918 -2.945 -3.231 1.00 0.00 N ATOM 1267 CA GLN A 81 8.774 -2.019 -3.953 1.00 0.00 C ATOM 1268 C GLN A 81 8.009 -0.738 -4.286 1.00 0.00 C ATOM 1269 O GLN A 81 8.586 0.348 -4.304 1.00 0.00 O ATOM 1270 CB GLN A 81 9.337 -2.667 -5.219 1.00 0.00 C ATOM 1271 CG GLN A 81 8.505 -2.288 -6.446 1.00 0.00 C ATOM 1272 CD GLN A 81 8.940 -0.932 -7.006 1.00 0.00 C ATOM 1273 OE1 GLN A 81 8.358 0.102 -6.722 1.00 0.00 O ATOM 1274 NE2 GLN A 81 9.992 -0.995 -7.817 1.00 0.00 N ATOM 0 H GLN A 81 7.898 -3.891 -3.611 1.00 0.00 H new ATOM 0 HA GLN A 81 9.616 -1.759 -3.312 1.00 0.00 H new ATOM 0 HB2 GLN A 81 10.370 -2.352 -5.364 1.00 0.00 H new ATOM 0 HB3 GLN A 81 9.348 -3.751 -5.103 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.613 -3.054 -7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 81 7.449 -2.253 -6.177 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.432 -1.894 -8.012 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.359 -0.144 -8.244 1.00 0.00 H new ATOM 1283 N GLU A 82 6.719 -0.906 -4.542 1.00 0.00 N ATOM 1284 CA GLU A 82 5.868 0.224 -4.873 1.00 0.00 C ATOM 1285 C GLU A 82 5.407 0.934 -3.599 1.00 0.00 C ATOM 1286 O GLU A 82 5.589 2.142 -3.456 1.00 0.00 O ATOM 1287 CB GLU A 82 4.672 -0.220 -5.717 1.00 0.00 C ATOM 1288 CG GLU A 82 3.920 0.988 -6.281 1.00 0.00 C ATOM 1289 CD GLU A 82 4.190 1.152 -7.778 1.00 0.00 C ATOM 1290 OE1 GLU A 82 5.363 0.965 -8.167 1.00 0.00 O ATOM 1291 OE2 GLU A 82 3.216 1.459 -8.499 1.00 0.00 O ATOM 0 H GLU A 82 6.243 -1.808 -4.527 1.00 0.00 H new ATOM 0 HA GLU A 82 6.449 0.929 -5.467 1.00 0.00 H new ATOM 0 HB2 GLU A 82 5.015 -0.854 -6.535 1.00 0.00 H new ATOM 0 HB3 GLU A 82 3.997 -0.822 -5.109 1.00 0.00 H new ATOM 0 HG2 GLU A 82 2.850 0.866 -6.112 1.00 0.00 H new ATOM 0 HG3 GLU A 82 4.225 1.891 -5.752 1.00 0.00 H new ATOM 1298 N MET A 83 4.820 0.153 -2.704 1.00 0.00 N ATOM 1299 CA MET A 83 4.331 0.691 -1.446 1.00 0.00 C ATOM 1300 C MET A 83 5.365 1.624 -0.811 1.00 0.00 C ATOM 1301 O MET A 83 5.110 2.816 -0.642 1.00 0.00 O ATOM 1302 CB MET A 83 4.021 -0.458 -0.485 1.00 0.00 C ATOM 1303 CG MET A 83 2.688 -0.230 0.230 1.00 0.00 C ATOM 1304 SD MET A 83 2.955 0.676 1.745 1.00 0.00 S ATOM 1305 CE MET A 83 1.670 1.907 1.600 1.00 0.00 C ATOM 0 H MET A 83 4.672 -0.849 -2.825 1.00 0.00 H new ATOM 0 HA MET A 83 3.425 1.264 -1.644 1.00 0.00 H new ATOM 0 HB2 MET A 83 3.986 -1.398 -1.036 1.00 0.00 H new ATOM 0 HB3 MET A 83 4.821 -0.548 0.250 1.00 0.00 H new ATOM 0 HG2 MET A 83 2.008 0.322 -0.419 1.00 0.00 H new ATOM 0 HG3 MET A 83 2.214 -1.187 0.448 1.00 0.00 H new ATOM 0 HE1 MET A 83 1.694 2.563 2.470 1.00 0.00 H new ATOM 0 HE2 MET A 83 1.831 2.496 0.697 1.00 0.00 H new ATOM 0 HE3 MET A 83 0.699 1.415 1.544 1.00 0.00 H new ATOM 1315 N GLY A 84 6.509 1.046 -0.476 1.00 0.00 N ATOM 1316 CA GLY A 84 7.582 1.811 0.136 1.00 0.00 C ATOM 1317 C GLY A 84 7.929 3.040 -0.706 1.00 0.00 C ATOM 1318 O GLY A 84 8.080 4.139 -0.174 1.00 0.00 O ATOM 0 H GLY A 84 6.716 0.057 -0.617 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.285 2.124 1.137 1.00 0.00 H new ATOM 0 HA3 GLY A 84 8.465 1.181 0.247 1.00 0.00 H new ATOM 1322 N LYS A 85 8.047 2.813 -2.006 1.00 0.00 N ATOM 1323 CA LYS A 85 8.374 3.889 -2.926 1.00 0.00 C ATOM 1324 C LYS A 85 7.285 4.961 -2.859 1.00 0.00 C ATOM 1325 O LYS A 85 7.583 6.155 -2.862 1.00 0.00 O ATOM 1326 CB LYS A 85 8.607 3.336 -4.334 1.00 0.00 C ATOM 1327 CG LYS A 85 8.851 4.469 -5.334 1.00 0.00 C ATOM 1328 CD LYS A 85 10.066 4.170 -6.215 1.00 0.00 C ATOM 1329 CE LYS A 85 9.749 4.424 -7.690 1.00 0.00 C ATOM 1330 NZ LYS A 85 10.419 3.419 -8.545 1.00 0.00 N ATOM 0 H LYS A 85 7.922 1.900 -2.444 1.00 0.00 H new ATOM 0 HA LYS A 85 9.310 4.367 -2.636 1.00 0.00 H new ATOM 0 HB2 LYS A 85 9.463 2.662 -4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 85 7.743 2.750 -4.646 1.00 0.00 H new ATOM 0 HG2 LYS A 85 7.968 4.604 -5.959 1.00 0.00 H new ATOM 0 HG3 LYS A 85 9.008 5.405 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 85 10.905 4.794 -5.907 1.00 0.00 H new ATOM 0 HD3 LYS A 85 10.372 3.133 -6.078 1.00 0.00 H new ATOM 0 HE2 LYS A 85 8.671 4.384 -7.848 1.00 0.00 H new ATOM 0 HE3 LYS A 85 10.076 5.425 -7.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 10.193 3.606 -9.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 11.448 3.476 -8.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 10.087 2.468 -8.288 1.00 0.00 H new ATOM 1344 N LEU A 86 6.046 4.497 -2.800 1.00 0.00 N ATOM 1345 CA LEU A 86 4.911 5.402 -2.731 1.00 0.00 C ATOM 1346 C LEU A 86 5.102 6.366 -1.559 1.00 0.00 C ATOM 1347 O LEU A 86 4.768 7.545 -1.659 1.00 0.00 O ATOM 1348 CB LEU A 86 3.600 4.614 -2.672 1.00 0.00 C ATOM 1349 CG LEU A 86 2.933 4.320 -4.017 1.00 0.00 C ATOM 1350 CD1 LEU A 86 2.214 2.970 -3.990 1.00 0.00 C ATOM 1351 CD2 LEU A 86 1.997 5.460 -4.426 1.00 0.00 C ATOM 0 H LEU A 86 5.803 3.506 -2.799 1.00 0.00 H new ATOM 0 HA LEU A 86 4.852 6.008 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.791 3.666 -2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.894 5.167 -2.052 1.00 0.00 H new ATOM 0 HG LEU A 86 3.712 4.254 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 86 1.749 2.786 -4.958 1.00 0.00 H new ATOM 0 HD12 LEU A 86 2.933 2.179 -3.777 1.00 0.00 H new ATOM 0 HD13 LEU A 86 1.447 2.982 -3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.536 5.226 -5.385 1.00 0.00 H new ATOM 0 HD22 LEU A 86 1.221 5.582 -3.671 1.00 0.00 H new ATOM 0 HD23 LEU A 86 2.567 6.385 -4.514 1.00 0.00 H new ATOM 1363 N GLU A 87 5.639 5.828 -0.474 1.00 0.00 N ATOM 1364 CA GLU A 87 5.879 6.626 0.717 1.00 0.00 C ATOM 1365 C GLU A 87 6.950 7.683 0.441 1.00 0.00 C ATOM 1366 O GLU A 87 7.003 8.709 1.116 1.00 0.00 O ATOM 1367 CB GLU A 87 6.275 5.740 1.900 1.00 0.00 C ATOM 1368 CG GLU A 87 5.038 5.248 2.655 1.00 0.00 C ATOM 1369 CD GLU A 87 5.075 5.695 4.118 1.00 0.00 C ATOM 1370 OE1 GLU A 87 6.078 5.365 4.786 1.00 0.00 O ATOM 1371 OE2 GLU A 87 4.099 6.356 4.534 1.00 0.00 O ATOM 0 H GLU A 87 5.915 4.849 -0.394 1.00 0.00 H new ATOM 0 HA GLU A 87 4.953 7.136 0.981 1.00 0.00 H new ATOM 0 HB2 GLU A 87 6.851 4.886 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 87 6.921 6.299 2.577 1.00 0.00 H new ATOM 0 HG2 GLU A 87 4.138 5.633 2.176 1.00 0.00 H new ATOM 0 HG3 GLU A 87 4.985 4.160 2.604 1.00 0.00 H new ATOM 1378 N THR A 88 7.778 7.394 -0.553 1.00 0.00 N ATOM 1379 CA THR A 88 8.845 8.307 -0.926 1.00 0.00 C ATOM 1380 C THR A 88 8.339 9.332 -1.943 1.00 0.00 C ATOM 1381 O THR A 88 8.283 10.526 -1.652 1.00 0.00 O ATOM 1382 CB THR A 88 10.022 7.474 -1.438 1.00 0.00 C ATOM 1383 OG1 THR A 88 10.729 7.110 -0.256 1.00 0.00 O ATOM 1384 CG2 THR A 88 11.029 8.309 -2.232 1.00 0.00 C ATOM 0 H THR A 88 7.731 6.541 -1.111 1.00 0.00 H new ATOM 0 HA THR A 88 9.186 8.887 -0.069 1.00 0.00 H new ATOM 0 HB THR A 88 9.648 6.664 -2.064 1.00 0.00 H new ATOM 0 HG1 THR A 88 11.508 6.566 -0.495 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.844 7.670 -2.572 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.533 8.754 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.429 9.099 -1.596 1.00 0.00 H new ATOM 1392 N ASP A 89 7.982 8.828 -3.115 1.00 0.00 N ATOM 1393 CA ASP A 89 7.482 9.685 -4.177 1.00 0.00 C ATOM 1394 C ASP A 89 6.414 10.623 -3.609 1.00 0.00 C ATOM 1395 O ASP A 89 6.320 11.780 -4.015 1.00 0.00 O ATOM 1396 CB ASP A 89 6.840 8.860 -5.295 1.00 0.00 C ATOM 1397 CG ASP A 89 7.707 8.676 -6.542 1.00 0.00 C ATOM 1398 OD1 ASP A 89 8.768 9.336 -6.598 1.00 0.00 O ATOM 1399 OD2 ASP A 89 7.290 7.881 -7.411 1.00 0.00 O ATOM 0 H ASP A 89 8.029 7.837 -3.353 1.00 0.00 H new ATOM 0 HA ASP A 89 8.324 10.247 -4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.585 7.877 -4.900 1.00 0.00 H new ATOM 0 HB3 ASP A 89 5.905 9.338 -5.588 1.00 0.00 H new ATOM 1404 N PHE A 90 5.636 10.088 -2.680 1.00 0.00 N ATOM 1405 CA PHE A 90 4.579 10.863 -2.052 1.00 0.00 C ATOM 1406 C PHE A 90 5.157 12.027 -1.245 1.00 0.00 C ATOM 1407 O PHE A 90 4.661 13.150 -1.326 1.00 0.00 O ATOM 1408 CB PHE A 90 3.836 9.920 -1.103 1.00 0.00 C ATOM 1409 CG PHE A 90 2.834 10.623 -0.185 1.00 0.00 C ATOM 1410 CD1 PHE A 90 2.228 11.770 -0.593 1.00 0.00 C ATOM 1411 CD2 PHE A 90 2.550 10.101 1.038 1.00 0.00 C ATOM 1412 CE1 PHE A 90 1.298 12.422 0.259 1.00 0.00 C ATOM 1413 CE2 PHE A 90 1.621 10.753 1.890 1.00 0.00 C ATOM 1414 CZ PHE A 90 1.014 11.900 1.483 1.00 0.00 C ATOM 0 H PHE A 90 5.716 9.127 -2.347 1.00 0.00 H new ATOM 0 HA PHE A 90 3.919 11.277 -2.814 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.309 9.170 -1.692 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.565 9.390 -0.490 1.00 0.00 H new ATOM 0 HD1 PHE A 90 2.454 12.185 -1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 90 3.032 9.190 1.361 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.816 13.333 -0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 90 1.396 10.338 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 90 0.307 12.396 2.131 1.00 0.00 H new ATOM 1424 N LYS A 91 6.199 11.719 -0.486 1.00 0.00 N ATOM 1425 CA LYS A 91 6.850 12.726 0.335 1.00 0.00 C ATOM 1426 C LYS A 91 7.582 13.719 -0.570 1.00 0.00 C ATOM 1427 O LYS A 91 7.596 14.919 -0.298 1.00 0.00 O ATOM 1428 CB LYS A 91 7.751 12.065 1.380 1.00 0.00 C ATOM 1429 CG LYS A 91 9.208 12.047 0.914 1.00 0.00 C ATOM 1430 CD LYS A 91 10.026 11.029 1.712 1.00 0.00 C ATOM 1431 CE LYS A 91 10.469 11.615 3.054 1.00 0.00 C ATOM 1432 NZ LYS A 91 11.892 12.017 3.000 1.00 0.00 N ATOM 0 H LYS A 91 6.608 10.787 -0.422 1.00 0.00 H new ATOM 0 HA LYS A 91 6.111 13.294 0.900 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.674 12.603 2.325 1.00 0.00 H new ATOM 0 HB3 LYS A 91 7.412 11.046 1.565 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.251 11.802 -0.147 1.00 0.00 H new ATOM 0 HG3 LYS A 91 9.643 13.040 1.030 1.00 0.00 H new ATOM 0 HD2 LYS A 91 9.431 10.131 1.881 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.901 10.728 1.136 1.00 0.00 H new ATOM 0 HE2 LYS A 91 9.851 12.477 3.303 1.00 0.00 H new ATOM 0 HE3 LYS A 91 10.323 10.879 3.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.176 12.413 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.479 11.186 2.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.022 12.735 2.259 1.00 0.00 H new ATOM 1446 N ARG A 92 8.174 13.183 -1.627 1.00 0.00 N ATOM 1447 CA ARG A 92 8.908 14.006 -2.573 1.00 0.00 C ATOM 1448 C ARG A 92 7.938 14.836 -3.416 1.00 0.00 C ATOM 1449 O ARG A 92 8.261 15.952 -3.822 1.00 0.00 O ATOM 1450 CB ARG A 92 9.771 13.147 -3.498 1.00 0.00 C ATOM 1451 CG ARG A 92 11.091 12.770 -2.823 1.00 0.00 C ATOM 1452 CD ARG A 92 11.656 11.474 -3.408 1.00 0.00 C ATOM 1453 NE ARG A 92 12.899 11.757 -4.159 1.00 0.00 N ATOM 1454 CZ ARG A 92 13.588 10.836 -4.847 1.00 0.00 C ATOM 1455 NH1 ARG A 92 13.158 9.567 -4.883 1.00 0.00 N ATOM 1456 NH2 ARG A 92 14.705 11.184 -5.500 1.00 0.00 N ATOM 0 H ARG A 92 8.160 12.188 -1.849 1.00 0.00 H new ATOM 0 HA ARG A 92 9.558 14.669 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 92 9.228 12.243 -3.772 1.00 0.00 H new ATOM 0 HB3 ARG A 92 9.973 13.690 -4.421 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.813 13.576 -2.952 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.934 12.651 -1.751 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.859 10.762 -2.608 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.921 11.012 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 92 13.254 12.713 -4.153 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.307 9.303 -4.387 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.682 8.866 -5.406 1.00 0.00 H new ATOM 0 HH21 ARG A 92 15.031 12.150 -5.474 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.229 10.483 -6.023 1.00 0.00 H new ATOM 1470 N SER A 93 6.769 14.260 -3.656 1.00 0.00 N ATOM 1471 CA SER A 93 5.751 14.933 -4.444 1.00 0.00 C ATOM 1472 C SER A 93 5.263 16.184 -3.711 1.00 0.00 C ATOM 1473 O SER A 93 5.086 17.237 -4.322 1.00 0.00 O ATOM 1474 CB SER A 93 4.575 13.999 -4.738 1.00 0.00 C ATOM 1475 OG SER A 93 3.824 13.700 -3.564 1.00 0.00 O ATOM 0 H SER A 93 6.504 13.335 -3.318 1.00 0.00 H new ATOM 0 HA SER A 93 6.195 15.227 -5.395 1.00 0.00 H new ATOM 0 HB2 SER A 93 3.922 14.461 -5.478 1.00 0.00 H new ATOM 0 HB3 SER A 93 4.948 13.073 -5.175 1.00 0.00 H new ATOM 0 HG SER A 93 4.430 13.630 -2.797 1.00 0.00 H new ATOM 1481 N ARG A 94 5.061 16.028 -2.410 1.00 0.00 N ATOM 1482 CA ARG A 94 4.598 17.133 -1.587 1.00 0.00 C ATOM 1483 C ARG A 94 5.744 18.109 -1.316 1.00 0.00 C ATOM 1484 O ARG A 94 5.516 19.224 -0.849 1.00 0.00 O ATOM 1485 CB ARG A 94 4.039 16.630 -0.255 1.00 0.00 C ATOM 1486 CG ARG A 94 5.120 15.916 0.559 1.00 0.00 C ATOM 1487 CD ARG A 94 4.611 15.568 1.959 1.00 0.00 C ATOM 1488 NE ARG A 94 5.656 15.864 2.965 1.00 0.00 N ATOM 1489 CZ ARG A 94 5.679 15.343 4.200 1.00 0.00 C ATOM 1490 NH1 ARG A 94 4.716 14.498 4.588 1.00 0.00 N ATOM 1491 NH2 ARG A 94 6.666 15.669 5.045 1.00 0.00 N ATOM 0 H ARG A 94 5.209 15.154 -1.906 1.00 0.00 H new ATOM 0 HA ARG A 94 3.804 17.643 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.643 17.469 0.317 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.208 15.949 -0.439 1.00 0.00 H new ATOM 0 HG2 ARG A 94 5.427 15.006 0.043 1.00 0.00 H new ATOM 0 HG3 ARG A 94 6.002 16.552 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 94 3.710 16.140 2.180 1.00 0.00 H new ATOM 0 HD3 ARG A 94 4.339 14.513 2.004 1.00 0.00 H new ATOM 0 HE ARG A 94 6.405 16.504 2.702 1.00 0.00 H new ATOM 0 HH11 ARG A 94 3.965 14.251 3.944 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.734 14.102 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 94 7.399 16.313 4.749 1.00 0.00 H new ATOM 0 HH22 ARG A 94 6.684 15.273 5.985 1.00 0.00 H new ATOM 1505 N ILE A 95 6.951 17.655 -1.619 1.00 0.00 N ATOM 1506 CA ILE A 95 8.133 18.475 -1.414 1.00 0.00 C ATOM 1507 C ILE A 95 8.195 19.553 -2.497 1.00 0.00 C ATOM 1508 O ILE A 95 8.468 20.716 -2.206 1.00 0.00 O ATOM 1509 CB ILE A 95 9.386 17.600 -1.344 1.00 0.00 C ATOM 1510 CG1 ILE A 95 9.547 16.983 0.047 1.00 0.00 C ATOM 1511 CG2 ILE A 95 10.628 18.386 -1.769 1.00 0.00 C ATOM 1512 CD1 ILE A 95 10.418 15.726 -0.008 1.00 0.00 C ATOM 0 H ILE A 95 7.136 16.729 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 95 8.078 18.990 -0.455 1.00 0.00 H new ATOM 0 HB ILE A 95 9.268 16.778 -2.050 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.996 17.712 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.567 16.733 0.454 1.00 0.00 H new ATOM 0 HG21 ILE A 95 11.505 17.741 -1.710 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.504 18.737 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.762 19.241 -1.106 1.00 0.00 H new ATOM 0 HD11 ILE A 95 10.516 15.307 0.994 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.954 14.990 -0.665 1.00 0.00 H new ATOM 0 HD13 ILE A 95 11.405 15.984 -0.392 1.00 0.00 H new