USER MOD reduce.3.24.130724 H: found=0, std=0, add=560, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 560 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 43 THR OG1 : rot -98:sc= 0.135 USER MOD Set 1.2: A 62 CYS SG : rot -50:sc= -0.803! USER MOD Single : A 5 HIS : no HD1:sc= -0.269 X(o=-0.27,f=0) USER MOD Single : A 6 TYR OH : rot 168:sc= 0.148 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-3.7!) USER MOD Single : A 16 GLN : amide:sc= -0.235 K(o=-0.24,f=-0.89) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 165:sc= -0.951 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.0246 (180deg=-0.368) USER MOD Single : A 39 THR OG1 : rot 29:sc= 0.648 USER MOD Single : A 44 THR OG1 : rot -150:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 162:sc= 1.24 USER MOD Single : A 59 SER OG : rot -21:sc= 0.465 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 89:sc= 1.24 USER MOD Single : A 70 HIS : no HD1:sc= -0.183 K(o=-0.18,f=-0.87) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 6.223 1.635 -11.246 1.00 0.00 N ATOM 35 CA VAL A 3 6.092 2.306 -9.917 1.00 0.00 C ATOM 36 C VAL A 3 5.723 3.776 -10.102 1.00 0.00 C ATOM 37 O VAL A 3 6.293 4.482 -10.910 1.00 0.00 O ATOM 38 CB VAL A 3 7.412 2.199 -9.151 1.00 0.00 C ATOM 39 CG1 VAL A 3 7.762 0.723 -8.958 1.00 0.00 C ATOM 40 CG2 VAL A 3 8.533 2.891 -9.935 1.00 0.00 C ATOM 0 HA VAL A 3 5.303 1.812 -9.350 1.00 0.00 H new ATOM 0 HB VAL A 3 7.305 2.685 -8.181 1.00 0.00 H new ATOM 0 HG11 VAL A 3 8.702 0.640 -8.413 1.00 0.00 H new ATOM 0 HG12 VAL A 3 6.970 0.232 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 3 7.864 0.243 -9.931 1.00 0.00 H new ATOM 0 HG21 VAL A 3 9.468 2.809 -9.381 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.645 2.413 -10.908 1.00 0.00 H new ATOM 0 HG23 VAL A 3 8.284 3.943 -10.074 1.00 0.00 H new ATOM 50 N ALA A 4 4.763 4.231 -9.349 1.00 0.00 N ATOM 51 CA ALA A 4 4.317 5.652 -9.451 1.00 0.00 C ATOM 52 C ALA A 4 5.059 6.501 -8.423 1.00 0.00 C ATOM 53 O ALA A 4 5.591 6.002 -7.453 1.00 0.00 O ATOM 54 CB ALA A 4 2.814 5.726 -9.177 1.00 0.00 C ATOM 0 H ALA A 4 4.261 3.674 -8.658 1.00 0.00 H new ATOM 0 HA ALA A 4 4.531 6.029 -10.451 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.481 6.761 -9.250 1.00 0.00 H new ATOM 0 HB2 ALA A 4 2.280 5.121 -9.910 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.608 5.348 -8.176 1.00 0.00 H new ATOM 60 N HIS A 5 5.099 7.785 -8.645 1.00 0.00 N ATOM 61 CA HIS A 5 5.814 8.707 -7.707 1.00 0.00 C ATOM 62 C HIS A 5 4.816 9.597 -6.981 1.00 0.00 C ATOM 63 O HIS A 5 3.739 9.881 -7.469 1.00 0.00 O ATOM 64 CB HIS A 5 6.773 9.590 -8.502 1.00 0.00 C ATOM 65 CG HIS A 5 7.883 8.746 -9.066 1.00 0.00 C ATOM 66 ND1 HIS A 5 8.837 9.264 -9.927 1.00 0.00 N ATOM 67 CD2 HIS A 5 8.204 7.421 -8.902 1.00 0.00 C ATOM 68 CE1 HIS A 5 9.680 8.264 -10.243 1.00 0.00 C ATOM 69 NE2 HIS A 5 9.340 7.120 -9.646 1.00 0.00 N ATOM 0 H HIS A 5 4.663 8.244 -9.445 1.00 0.00 H new ATOM 0 HA HIS A 5 6.364 8.112 -6.978 1.00 0.00 H new ATOM 0 HB2 HIS A 5 6.238 10.092 -9.308 1.00 0.00 H new ATOM 0 HB3 HIS A 5 7.184 10.368 -7.859 1.00 0.00 H new ATOM 0 HD2 HIS A 5 7.658 6.720 -8.289 1.00 0.00 H new ATOM 0 HE1 HIS A 5 10.530 8.374 -10.901 1.00 0.00 H new ATOM 0 HE2 HIS A 5 9.812 6.219 -9.719 1.00 0.00 H new ATOM 77 N TYR A 6 5.178 10.032 -5.807 1.00 0.00 N ATOM 78 CA TYR A 6 4.272 10.910 -5.009 1.00 0.00 C ATOM 79 C TYR A 6 5.086 12.011 -4.318 1.00 0.00 C ATOM 80 O TYR A 6 5.938 12.640 -4.910 1.00 0.00 O ATOM 81 CB TYR A 6 3.550 10.065 -3.946 1.00 0.00 C ATOM 82 CG TYR A 6 2.295 10.784 -3.509 1.00 0.00 C ATOM 83 CD1 TYR A 6 1.268 11.003 -4.437 1.00 0.00 C ATOM 84 CD2 TYR A 6 2.159 11.242 -2.191 1.00 0.00 C ATOM 85 CE1 TYR A 6 0.108 11.677 -4.048 1.00 0.00 C ATOM 86 CE2 TYR A 6 0.996 11.918 -1.805 1.00 0.00 C ATOM 87 CZ TYR A 6 -0.029 12.135 -2.733 1.00 0.00 C ATOM 88 OH TYR A 6 -1.174 12.801 -2.352 1.00 0.00 O ATOM 0 H TYR A 6 6.070 9.816 -5.361 1.00 0.00 H new ATOM 0 HA TYR A 6 3.540 11.369 -5.674 1.00 0.00 H new ATOM 0 HB2 TYR A 6 3.299 9.085 -4.352 1.00 0.00 H new ATOM 0 HB3 TYR A 6 4.205 9.898 -3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 6 1.373 10.651 -5.453 1.00 0.00 H new ATOM 0 HD2 TYR A 6 2.950 11.074 -1.475 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -0.684 11.845 -4.763 1.00 0.00 H new ATOM 0 HE2 TYR A 6 0.889 12.272 -0.790 1.00 0.00 H new ATOM 0 HH TYR A 6 -1.195 12.883 -1.376 1.00 0.00 H new ATOM 98 N ARG A 7 4.808 12.241 -3.065 1.00 0.00 N ATOM 99 CA ARG A 7 5.531 13.300 -2.304 1.00 0.00 C ATOM 100 C ARG A 7 6.960 12.849 -2.007 1.00 0.00 C ATOM 101 O ARG A 7 7.423 12.890 -0.885 1.00 0.00 O ATOM 102 CB ARG A 7 4.785 13.583 -0.993 1.00 0.00 C ATOM 103 CG ARG A 7 3.487 14.338 -1.291 1.00 0.00 C ATOM 104 CD ARG A 7 2.732 14.601 0.019 1.00 0.00 C ATOM 105 NE ARG A 7 1.465 15.334 -0.274 1.00 0.00 N ATOM 106 CZ ARG A 7 0.800 15.919 0.688 1.00 0.00 C ATOM 107 NH1 ARG A 7 1.230 15.873 1.920 1.00 0.00 N ATOM 108 NH2 ARG A 7 -0.307 16.554 0.412 1.00 0.00 N ATOM 0 H ARG A 7 4.103 11.735 -2.529 1.00 0.00 H new ATOM 0 HA ARG A 7 5.570 14.211 -2.901 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.563 12.647 -0.480 1.00 0.00 H new ATOM 0 HB3 ARG A 7 5.414 14.171 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 7 3.709 15.281 -1.790 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.864 13.757 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG A 7 2.512 13.658 0.519 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.353 15.185 0.698 1.00 0.00 H new ATOM 0 HE ARG A 7 1.116 15.379 -1.231 1.00 0.00 H new ATOM 0 HH11 ARG A 7 2.093 15.377 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 7 0.702 16.333 2.662 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.648 16.591 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.831 17.013 1.157 1.00 0.00 H new ATOM 122 N GLY A 8 7.661 12.432 -3.022 1.00 0.00 N ATOM 123 CA GLY A 8 9.074 11.987 -2.844 1.00 0.00 C ATOM 124 C GLY A 8 9.121 10.492 -2.540 1.00 0.00 C ATOM 125 O GLY A 8 10.177 9.898 -2.476 1.00 0.00 O ATOM 0 H GLY A 8 7.313 12.379 -3.979 1.00 0.00 H new ATOM 0 HA2 GLY A 8 9.647 12.200 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 8 9.539 12.546 -2.032 1.00 0.00 H new ATOM 129 N TYR A 9 7.982 9.878 -2.346 1.00 0.00 N ATOM 130 CA TYR A 9 7.953 8.411 -2.032 1.00 0.00 C ATOM 131 C TYR A 9 7.474 7.617 -3.247 1.00 0.00 C ATOM 132 O TYR A 9 6.555 8.002 -3.942 1.00 0.00 O ATOM 133 CB TYR A 9 7.008 8.161 -0.857 1.00 0.00 C ATOM 134 CG TYR A 9 7.564 8.819 0.384 1.00 0.00 C ATOM 135 CD1 TYR A 9 7.279 10.163 0.653 1.00 0.00 C ATOM 136 CD2 TYR A 9 8.365 8.082 1.265 1.00 0.00 C ATOM 137 CE1 TYR A 9 7.795 10.769 1.805 1.00 0.00 C ATOM 138 CE2 TYR A 9 8.880 8.689 2.416 1.00 0.00 C ATOM 139 CZ TYR A 9 8.596 10.033 2.687 1.00 0.00 C ATOM 140 OH TYR A 9 9.102 10.632 3.821 1.00 0.00 O ATOM 0 H TYR A 9 7.067 10.327 -2.391 1.00 0.00 H new ATOM 0 HA TYR A 9 8.960 8.086 -1.772 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.019 8.560 -1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.890 7.090 -0.692 1.00 0.00 H new ATOM 0 HD1 TYR A 9 6.662 10.732 -0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.585 7.046 1.056 1.00 0.00 H new ATOM 0 HE1 TYR A 9 7.575 11.806 2.014 1.00 0.00 H new ATOM 0 HE2 TYR A 9 9.497 8.120 3.096 1.00 0.00 H new ATOM 0 HH TYR A 9 9.636 9.982 4.324 1.00 0.00 H new ATOM 150 N GLU A 10 8.105 6.505 -3.495 1.00 0.00 N ATOM 151 CA GLU A 10 7.720 5.652 -4.656 1.00 0.00 C ATOM 152 C GLU A 10 6.585 4.724 -4.250 1.00 0.00 C ATOM 153 O GLU A 10 6.517 4.262 -3.130 1.00 0.00 O ATOM 154 CB GLU A 10 8.923 4.815 -5.097 1.00 0.00 C ATOM 155 CG GLU A 10 9.979 5.735 -5.707 1.00 0.00 C ATOM 156 CD GLU A 10 11.209 4.920 -6.109 1.00 0.00 C ATOM 157 OE1 GLU A 10 11.198 3.719 -5.893 1.00 0.00 O ATOM 158 OE2 GLU A 10 12.141 5.510 -6.632 1.00 0.00 O ATOM 0 H GLU A 10 8.880 6.145 -2.938 1.00 0.00 H new ATOM 0 HA GLU A 10 7.396 6.288 -5.480 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.340 4.278 -4.245 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.612 4.065 -5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.569 6.246 -6.579 1.00 0.00 H new ATOM 0 HG3 GLU A 10 10.261 6.506 -4.989 1.00 0.00 H new ATOM 165 N ILE A 11 5.691 4.459 -5.160 1.00 0.00 N ATOM 166 CA ILE A 11 4.529 3.568 -4.862 1.00 0.00 C ATOM 167 C ILE A 11 4.474 2.434 -5.874 1.00 0.00 C ATOM 168 O ILE A 11 4.568 2.643 -7.068 1.00 0.00 O ATOM 169 CB ILE A 11 3.240 4.381 -4.935 1.00 0.00 C ATOM 170 CG1 ILE A 11 3.266 5.452 -3.841 1.00 0.00 C ATOM 171 CG2 ILE A 11 2.043 3.454 -4.722 1.00 0.00 C ATOM 172 CD1 ILE A 11 2.109 6.430 -4.048 1.00 0.00 C ATOM 0 H ILE A 11 5.714 4.826 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 11 4.642 3.148 -3.863 1.00 0.00 H new ATOM 0 HB ILE A 11 3.155 4.857 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.188 4.985 -2.859 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.215 5.987 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 11 1.121 4.033 -4.774 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.034 2.687 -5.497 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.119 2.980 -3.743 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.131 7.190 -3.267 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.206 6.908 -5.023 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.163 5.890 -4.002 1.00 0.00 H new ATOM 184 N GLU A 12 4.318 1.230 -5.389 1.00 0.00 N ATOM 185 CA GLU A 12 4.246 0.046 -6.291 1.00 0.00 C ATOM 186 C GLU A 12 2.956 -0.746 -5.986 1.00 0.00 C ATOM 187 O GLU A 12 2.723 -1.137 -4.856 1.00 0.00 O ATOM 188 CB GLU A 12 5.455 -0.854 -6.062 1.00 0.00 C ATOM 189 CG GLU A 12 5.434 -1.990 -7.089 1.00 0.00 C ATOM 190 CD GLU A 12 6.713 -2.818 -6.965 1.00 0.00 C ATOM 191 OE1 GLU A 12 6.866 -3.489 -5.960 1.00 0.00 O ATOM 192 OE2 GLU A 12 7.521 -2.767 -7.880 1.00 0.00 O ATOM 0 H GLU A 12 4.237 1.016 -4.395 1.00 0.00 H new ATOM 0 HA GLU A 12 4.240 0.382 -7.328 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.376 -0.278 -6.156 1.00 0.00 H new ATOM 0 HB3 GLU A 12 5.435 -1.260 -5.051 1.00 0.00 H new ATOM 0 HG2 GLU A 12 4.562 -2.623 -6.928 1.00 0.00 H new ATOM 0 HG3 GLU A 12 5.349 -1.582 -8.096 1.00 0.00 H new ATOM 199 N PRO A 13 2.117 -0.977 -6.972 1.00 0.00 N ATOM 200 CA PRO A 13 0.840 -1.729 -6.783 1.00 0.00 C ATOM 201 C PRO A 13 1.056 -3.239 -6.657 1.00 0.00 C ATOM 202 O PRO A 13 2.046 -3.779 -7.105 1.00 0.00 O ATOM 203 CB PRO A 13 0.041 -1.391 -8.050 1.00 0.00 C ATOM 204 CG PRO A 13 1.074 -1.133 -9.100 1.00 0.00 C ATOM 205 CD PRO A 13 2.288 -0.558 -8.374 1.00 0.00 C ATOM 0 HA PRO A 13 0.334 -1.449 -5.859 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.615 -2.214 -8.335 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -0.592 -0.517 -7.896 1.00 0.00 H new ATOM 0 HG2 PRO A 13 1.334 -2.053 -9.624 1.00 0.00 H new ATOM 0 HG3 PRO A 13 0.701 -0.434 -9.849 1.00 0.00 H new ATOM 0 HD2 PRO A 13 3.218 -0.943 -8.792 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.324 0.528 -8.461 1.00 0.00 H new ATOM 213 N GLY A 14 0.124 -3.917 -6.052 1.00 0.00 N ATOM 214 CA GLY A 14 0.262 -5.392 -5.898 1.00 0.00 C ATOM 215 C GLY A 14 -0.882 -5.941 -5.047 1.00 0.00 C ATOM 216 O GLY A 14 -1.847 -5.259 -4.758 1.00 0.00 O ATOM 0 H GLY A 14 -0.727 -3.516 -5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.258 -5.870 -6.878 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.218 -5.629 -5.432 1.00 0.00 H new ATOM 220 N HIS A 15 -0.773 -7.177 -4.652 1.00 0.00 N ATOM 221 CA HIS A 15 -1.842 -7.805 -3.821 1.00 0.00 C ATOM 222 C HIS A 15 -1.225 -8.845 -2.884 1.00 0.00 C ATOM 223 O HIS A 15 -0.261 -9.508 -3.214 1.00 0.00 O ATOM 224 CB HIS A 15 -2.865 -8.489 -4.734 1.00 0.00 C ATOM 225 CG HIS A 15 -2.189 -9.550 -5.565 1.00 0.00 C ATOM 226 ND1 HIS A 15 -1.368 -9.241 -6.639 1.00 0.00 N ATOM 227 CD2 HIS A 15 -2.217 -10.923 -5.500 1.00 0.00 C ATOM 228 CE1 HIS A 15 -0.940 -10.402 -7.171 1.00 0.00 C ATOM 229 NE2 HIS A 15 -1.428 -11.457 -6.514 1.00 0.00 N ATOM 0 H HIS A 15 0.016 -7.786 -4.870 1.00 0.00 H new ATOM 0 HA HIS A 15 -2.336 -7.034 -3.230 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -3.658 -8.936 -4.134 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -3.335 -7.751 -5.384 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.768 -11.500 -4.772 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -0.282 -10.471 -8.025 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -1.259 -12.443 -6.713 1.00 0.00 H new ATOM 237 N GLN A 16 -1.792 -8.989 -1.722 1.00 0.00 N ATOM 238 CA GLN A 16 -1.274 -9.988 -0.744 1.00 0.00 C ATOM 239 C GLN A 16 -2.272 -10.117 0.408 1.00 0.00 C ATOM 240 O GLN A 16 -2.987 -9.188 0.734 1.00 0.00 O ATOM 241 CB GLN A 16 0.080 -9.532 -0.192 1.00 0.00 C ATOM 242 CG GLN A 16 0.697 -10.652 0.653 1.00 0.00 C ATOM 243 CD GLN A 16 1.034 -11.850 -0.239 1.00 0.00 C ATOM 244 OE1 GLN A 16 1.505 -11.684 -1.347 1.00 0.00 O ATOM 245 NE2 GLN A 16 0.802 -13.058 0.196 1.00 0.00 N ATOM 0 H GLN A 16 -2.599 -8.454 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 16 -1.148 -10.949 -1.242 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.749 -9.272 -1.012 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -0.047 -8.634 0.413 1.00 0.00 H new ATOM 0 HG2 GLN A 16 1.598 -10.291 1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 16 0.002 -10.954 1.436 1.00 0.00 H new ATOM 0 HE21 GLN A 16 0.407 -13.198 1.126 1.00 0.00 H new ATOM 0 HE22 GLN A 16 1.016 -13.862 -0.394 1.00 0.00 H new ATOM 254 N TYR A 17 -2.319 -11.269 1.023 1.00 0.00 N ATOM 255 CA TYR A 17 -3.265 -11.494 2.159 1.00 0.00 C ATOM 256 C TYR A 17 -2.499 -11.591 3.472 1.00 0.00 C ATOM 257 O TYR A 17 -1.416 -12.135 3.544 1.00 0.00 O ATOM 258 CB TYR A 17 -4.047 -12.790 1.923 1.00 0.00 C ATOM 259 CG TYR A 17 -3.099 -13.964 1.818 1.00 0.00 C ATOM 260 CD1 TYR A 17 -2.740 -14.682 2.966 1.00 0.00 C ATOM 261 CD2 TYR A 17 -2.590 -14.345 0.569 1.00 0.00 C ATOM 262 CE1 TYR A 17 -1.871 -15.777 2.865 1.00 0.00 C ATOM 263 CE2 TYR A 17 -1.723 -15.440 0.469 1.00 0.00 C ATOM 264 CZ TYR A 17 -1.363 -16.156 1.618 1.00 0.00 C ATOM 265 OH TYR A 17 -0.509 -17.236 1.518 1.00 0.00 O ATOM 0 H TYR A 17 -1.737 -12.072 0.785 1.00 0.00 H new ATOM 0 HA TYR A 17 -3.957 -10.654 2.216 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.749 -12.953 2.741 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -4.635 -12.706 1.009 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -3.133 -14.392 3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.867 -13.793 -0.317 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.593 -16.329 3.751 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -1.332 -15.733 -0.494 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.251 -17.363 0.581 1.00 0.00 H new ATOM 275 N ARG A 18 -3.076 -11.058 4.512 1.00 0.00 N ATOM 276 CA ARG A 18 -2.421 -11.090 5.852 1.00 0.00 C ATOM 277 C ARG A 18 -2.930 -12.296 6.639 1.00 0.00 C ATOM 278 O ARG A 18 -4.107 -12.599 6.659 1.00 0.00 O ATOM 279 CB ARG A 18 -2.751 -9.799 6.612 1.00 0.00 C ATOM 280 CG ARG A 18 -2.088 -8.611 5.909 1.00 0.00 C ATOM 281 CD ARG A 18 -2.407 -7.312 6.662 1.00 0.00 C ATOM 282 NE ARG A 18 -3.852 -6.978 6.497 1.00 0.00 N ATOM 283 CZ ARG A 18 -4.349 -5.894 7.037 1.00 0.00 C ATOM 284 NH1 ARG A 18 -3.591 -5.091 7.733 1.00 0.00 N ATOM 285 NH2 ARG A 18 -5.614 -5.613 6.873 1.00 0.00 N ATOM 0 H ARG A 18 -3.985 -10.595 4.492 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.341 -11.170 5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.831 -9.655 6.654 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.399 -9.870 7.641 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -1.009 -8.760 5.864 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.443 -8.542 4.881 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.168 -7.425 7.720 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.790 -6.498 6.281 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.457 -7.599 5.959 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.602 -5.306 7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.988 -4.249 8.150 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.208 -6.237 6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -6.008 -4.770 7.291 1.00 0.00 H new ATOM 299 N ASP A 19 -2.034 -12.985 7.282 1.00 0.00 N ATOM 300 CA ASP A 19 -2.416 -14.184 8.079 1.00 0.00 C ATOM 301 C ASP A 19 -3.243 -13.754 9.292 1.00 0.00 C ATOM 302 O ASP A 19 -3.959 -14.540 9.882 1.00 0.00 O ATOM 303 CB ASP A 19 -1.141 -14.894 8.551 1.00 0.00 C ATOM 304 CG ASP A 19 -0.265 -13.923 9.353 1.00 0.00 C ATOM 305 OD1 ASP A 19 -0.752 -12.860 9.704 1.00 0.00 O ATOM 306 OD2 ASP A 19 0.878 -14.264 9.607 1.00 0.00 O ATOM 0 H ASP A 19 -1.038 -12.766 7.290 1.00 0.00 H new ATOM 0 HA ASP A 19 -3.010 -14.861 7.465 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -1.401 -15.755 9.167 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -0.586 -15.272 7.692 1.00 0.00 H new ATOM 311 N ASP A 20 -3.145 -12.508 9.666 1.00 0.00 N ATOM 312 CA ASP A 20 -3.918 -12.008 10.841 1.00 0.00 C ATOM 313 C ASP A 20 -5.417 -12.137 10.563 1.00 0.00 C ATOM 314 O ASP A 20 -6.185 -12.532 11.417 1.00 0.00 O ATOM 315 CB ASP A 20 -3.578 -10.536 11.082 1.00 0.00 C ATOM 316 CG ASP A 20 -2.160 -10.415 11.641 1.00 0.00 C ATOM 317 OD1 ASP A 20 -1.615 -11.429 12.046 1.00 0.00 O ATOM 318 OD2 ASP A 20 -1.644 -9.309 11.660 1.00 0.00 O ATOM 0 H ASP A 20 -2.560 -11.810 9.207 1.00 0.00 H new ATOM 0 HA ASP A 20 -3.658 -12.597 11.721 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.660 -9.977 10.150 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.292 -10.098 11.780 1.00 0.00 H new ATOM 323 N ILE A 21 -5.834 -11.802 9.368 1.00 0.00 N ATOM 324 CA ILE A 21 -7.284 -11.896 8.999 1.00 0.00 C ATOM 325 C ILE A 21 -7.458 -12.943 7.895 1.00 0.00 C ATOM 326 O ILE A 21 -8.556 -13.239 7.466 1.00 0.00 O ATOM 327 CB ILE A 21 -7.772 -10.526 8.512 1.00 0.00 C ATOM 328 CG1 ILE A 21 -6.906 -10.047 7.338 1.00 0.00 C ATOM 329 CG2 ILE A 21 -7.679 -9.516 9.660 1.00 0.00 C ATOM 330 CD1 ILE A 21 -7.493 -8.756 6.764 1.00 0.00 C ATOM 0 H ILE A 21 -5.226 -11.463 8.622 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.871 -12.195 9.868 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.807 -10.612 8.180 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.883 -9.876 7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.865 -10.815 6.566 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -8.025 -8.541 9.316 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -8.302 -9.850 10.490 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.644 -9.437 9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -6.878 -8.416 5.931 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -8.508 -8.942 6.414 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.511 -7.989 7.538 1.00 0.00 H new ATOM 342 N ARG A 22 -6.369 -13.502 7.436 1.00 0.00 N ATOM 343 CA ARG A 22 -6.433 -14.532 6.353 1.00 0.00 C ATOM 344 C ARG A 22 -7.303 -14.029 5.206 1.00 0.00 C ATOM 345 O ARG A 22 -8.077 -14.767 4.629 1.00 0.00 O ATOM 346 CB ARG A 22 -7.014 -15.837 6.910 1.00 0.00 C ATOM 347 CG ARG A 22 -6.025 -16.437 7.917 1.00 0.00 C ATOM 348 CD ARG A 22 -6.580 -17.753 8.468 1.00 0.00 C ATOM 349 NE ARG A 22 -7.810 -17.487 9.272 1.00 0.00 N ATOM 350 CZ ARG A 22 -7.724 -16.971 10.469 1.00 0.00 C ATOM 351 NH1 ARG A 22 -6.562 -16.703 10.998 1.00 0.00 N ATOM 352 NH2 ARG A 22 -8.816 -16.730 11.144 1.00 0.00 N ATOM 0 H ARG A 22 -5.428 -13.288 7.767 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.426 -14.718 5.981 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -7.973 -15.646 7.392 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -7.200 -16.542 6.100 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -5.062 -16.611 7.436 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.852 -15.735 8.733 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.811 -18.433 7.648 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -5.829 -18.244 9.087 1.00 0.00 H new ATOM 0 HE ARG A 22 -8.726 -17.710 8.883 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.707 -16.896 10.476 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -6.508 -16.300 11.934 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -9.726 -16.945 10.736 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -8.759 -16.327 12.079 1.00 0.00 H new ATOM 366 N LYS A 23 -7.177 -12.772 4.870 1.00 0.00 N ATOM 367 CA LYS A 23 -7.994 -12.198 3.753 1.00 0.00 C ATOM 368 C LYS A 23 -7.127 -11.329 2.855 1.00 0.00 C ATOM 369 O LYS A 23 -6.051 -10.903 3.226 1.00 0.00 O ATOM 370 CB LYS A 23 -9.135 -11.361 4.335 1.00 0.00 C ATOM 371 CG LYS A 23 -10.202 -12.286 4.945 1.00 0.00 C ATOM 372 CD LYS A 23 -11.144 -12.794 3.846 1.00 0.00 C ATOM 373 CE LYS A 23 -12.204 -13.701 4.461 1.00 0.00 C ATOM 374 NZ LYS A 23 -13.123 -14.181 3.392 1.00 0.00 N ATOM 0 H LYS A 23 -6.542 -12.114 5.321 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.404 -13.014 3.159 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.749 -10.684 5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.579 -10.743 3.555 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.723 -13.129 5.443 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.771 -11.748 5.704 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.619 -11.952 3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.578 -13.339 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.730 -14.548 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.765 -13.159 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.847 -14.800 3.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -13.583 -13.366 2.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -12.581 -14.712 2.681 1.00 0.00 H new ATOM 388 N TYR A 24 -7.598 -11.084 1.663 1.00 0.00 N ATOM 389 CA TYR A 24 -6.824 -10.265 0.694 1.00 0.00 C ATOM 390 C TYR A 24 -7.123 -8.790 0.910 1.00 0.00 C ATOM 391 O TYR A 24 -8.262 -8.370 0.941 1.00 0.00 O ATOM 392 CB TYR A 24 -7.225 -10.661 -0.729 1.00 0.00 C ATOM 393 CG TYR A 24 -6.789 -12.083 -0.998 1.00 0.00 C ATOM 394 CD1 TYR A 24 -7.616 -13.154 -0.635 1.00 0.00 C ATOM 395 CD2 TYR A 24 -5.556 -12.329 -1.611 1.00 0.00 C ATOM 396 CE1 TYR A 24 -7.207 -14.469 -0.886 1.00 0.00 C ATOM 397 CE2 TYR A 24 -5.147 -13.644 -1.863 1.00 0.00 C ATOM 398 CZ TYR A 24 -5.973 -14.714 -1.500 1.00 0.00 C ATOM 399 OH TYR A 24 -5.570 -16.012 -1.748 1.00 0.00 O ATOM 0 H TYR A 24 -8.497 -11.421 1.318 1.00 0.00 H new ATOM 0 HA TYR A 24 -5.758 -10.439 0.842 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -8.304 -10.571 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -6.764 -9.985 -1.450 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -8.568 -12.965 -0.162 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -4.918 -11.503 -1.890 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.844 -15.295 -0.606 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.195 -13.833 -2.337 1.00 0.00 H new ATOM 0 HH TYR A 24 -4.690 -16.005 -2.180 1.00 0.00 H new ATOM 409 N VAL A 25 -6.089 -8.003 1.051 1.00 0.00 N ATOM 410 CA VAL A 25 -6.270 -6.538 1.264 1.00 0.00 C ATOM 411 C VAL A 25 -5.252 -5.768 0.408 1.00 0.00 C ATOM 412 O VAL A 25 -4.153 -6.237 0.181 1.00 0.00 O ATOM 413 CB VAL A 25 -6.055 -6.199 2.741 1.00 0.00 C ATOM 414 CG1 VAL A 25 -7.149 -6.863 3.576 1.00 0.00 C ATOM 415 CG2 VAL A 25 -4.685 -6.704 3.199 1.00 0.00 C ATOM 0 H VAL A 25 -5.119 -8.316 1.027 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.281 -6.254 0.974 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.098 -5.118 2.872 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.999 -6.624 4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.124 -6.496 3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.105 -7.944 3.440 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.540 -6.459 4.251 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.633 -7.785 3.068 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.905 -6.229 2.605 1.00 0.00 H new ATOM 425 N PRO A 26 -5.610 -4.594 -0.062 1.00 0.00 N ATOM 426 CA PRO A 26 -4.710 -3.757 -0.899 1.00 0.00 C ATOM 427 C PRO A 26 -3.260 -3.814 -0.417 1.00 0.00 C ATOM 428 O PRO A 26 -2.910 -3.279 0.616 1.00 0.00 O ATOM 429 CB PRO A 26 -5.291 -2.346 -0.741 1.00 0.00 C ATOM 430 CG PRO A 26 -6.755 -2.547 -0.470 1.00 0.00 C ATOM 431 CD PRO A 26 -6.911 -3.943 0.146 1.00 0.00 C ATOM 0 HA PRO A 26 -4.672 -4.094 -1.935 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -4.809 -1.812 0.078 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -5.136 -1.754 -1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -7.130 -1.782 0.210 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -7.332 -2.465 -1.391 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.158 -3.882 1.206 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.714 -4.501 -0.336 1.00 0.00 H new ATOM 439 N TYR A 27 -2.419 -4.465 -1.170 1.00 0.00 N ATOM 440 CA TYR A 27 -0.982 -4.584 -0.781 1.00 0.00 C ATOM 441 C TYR A 27 -0.134 -3.680 -1.669 1.00 0.00 C ATOM 442 O TYR A 27 -0.058 -3.859 -2.868 1.00 0.00 O ATOM 443 CB TYR A 27 -0.536 -6.036 -0.962 1.00 0.00 C ATOM 444 CG TYR A 27 0.802 -6.236 -0.295 1.00 0.00 C ATOM 445 CD1 TYR A 27 0.875 -6.334 1.099 1.00 0.00 C ATOM 446 CD2 TYR A 27 1.968 -6.322 -1.065 1.00 0.00 C ATOM 447 CE1 TYR A 27 2.113 -6.518 1.725 1.00 0.00 C ATOM 448 CE2 TYR A 27 3.206 -6.506 -0.440 1.00 0.00 C ATOM 449 CZ TYR A 27 3.279 -6.603 0.955 1.00 0.00 C ATOM 450 OH TYR A 27 4.500 -6.783 1.572 1.00 0.00 O ATOM 0 H TYR A 27 -2.666 -4.925 -2.047 1.00 0.00 H new ATOM 0 HA TYR A 27 -0.858 -4.284 0.260 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -1.275 -6.711 -0.530 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -0.466 -6.277 -2.023 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -0.025 -6.268 1.692 1.00 0.00 H new ATOM 0 HD2 TYR A 27 1.912 -6.246 -2.141 1.00 0.00 H new ATOM 0 HE1 TYR A 27 2.169 -6.594 2.801 1.00 0.00 H new ATOM 0 HE2 TYR A 27 4.106 -6.573 -1.034 1.00 0.00 H new ATOM 0 HH TYR A 27 5.165 -7.059 0.907 1.00 0.00 H new ATOM 460 N ALA A 28 0.509 -2.710 -1.077 1.00 0.00 N ATOM 461 CA ALA A 28 1.372 -1.777 -1.871 1.00 0.00 C ATOM 462 C ALA A 28 2.698 -1.575 -1.136 1.00 0.00 C ATOM 463 O ALA A 28 2.749 -1.483 0.073 1.00 0.00 O ATOM 464 CB ALA A 28 0.647 -0.424 -2.044 1.00 0.00 C ATOM 0 H ALA A 28 0.476 -2.520 -0.075 1.00 0.00 H new ATOM 0 HA ALA A 28 1.568 -2.200 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.275 0.254 -2.622 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.296 -0.581 -2.568 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.449 0.011 -1.064 1.00 0.00 H new ATOM 470 N LEU A 29 3.764 -1.499 -1.878 1.00 0.00 N ATOM 471 CA LEU A 29 5.109 -1.295 -1.265 1.00 0.00 C ATOM 472 C LEU A 29 5.554 0.144 -1.494 1.00 0.00 C ATOM 473 O LEU A 29 5.567 0.638 -2.603 1.00 0.00 O ATOM 474 CB LEU A 29 6.114 -2.244 -1.923 1.00 0.00 C ATOM 475 CG LEU A 29 5.647 -3.694 -1.740 1.00 0.00 C ATOM 476 CD1 LEU A 29 6.630 -4.638 -2.439 1.00 0.00 C ATOM 477 CD2 LEU A 29 5.583 -4.035 -0.240 1.00 0.00 C ATOM 0 H LEU A 29 3.764 -1.570 -2.896 1.00 0.00 H new ATOM 0 HA LEU A 29 5.058 -1.498 -0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.208 -2.012 -2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 29 7.101 -2.110 -1.479 1.00 0.00 H new ATOM 0 HG LEU A 29 4.655 -3.812 -2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.299 -5.669 -2.310 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.669 -4.400 -3.502 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.622 -4.518 -2.003 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.251 -5.066 -0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.572 -3.916 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 29 4.881 -3.365 0.256 1.00 0.00 H new ATOM 489 N ILE A 30 5.920 0.811 -0.436 1.00 0.00 N ATOM 490 CA ILE A 30 6.379 2.229 -0.537 1.00 0.00 C ATOM 491 C ILE A 30 7.846 2.318 -0.133 1.00 0.00 C ATOM 492 O ILE A 30 8.253 1.811 0.894 1.00 0.00 O ATOM 493 CB ILE A 30 5.539 3.111 0.390 1.00 0.00 C ATOM 494 CG1 ILE A 30 4.099 3.159 -0.131 1.00 0.00 C ATOM 495 CG2 ILE A 30 6.122 4.526 0.413 1.00 0.00 C ATOM 496 CD1 ILE A 30 3.188 3.778 0.932 1.00 0.00 C ATOM 0 H ILE A 30 5.921 0.430 0.510 1.00 0.00 H new ATOM 0 HA ILE A 30 6.262 2.574 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 30 5.550 2.699 1.399 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.053 3.745 -1.049 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.757 2.154 -0.377 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.525 5.155 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 30 7.149 4.491 0.777 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.108 4.942 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.164 3.811 0.559 1.00 0.00 H new ATOM 0 HD12 ILE A 30 3.225 3.174 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.526 4.790 1.156 1.00 0.00 H new ATOM 508 N ARG A 31 8.638 2.961 -0.947 1.00 0.00 N ATOM 509 CA ARG A 31 10.098 3.102 -0.642 1.00 0.00 C ATOM 510 C ARG A 31 10.513 4.568 -0.777 1.00 0.00 C ATOM 511 O ARG A 31 10.158 5.252 -1.716 1.00 0.00 O ATOM 512 CB ARG A 31 10.901 2.249 -1.622 1.00 0.00 C ATOM 513 CG ARG A 31 10.661 0.769 -1.320 1.00 0.00 C ATOM 514 CD ARG A 31 11.437 -0.089 -2.322 1.00 0.00 C ATOM 515 NE ARG A 31 11.230 -1.534 -2.011 1.00 0.00 N ATOM 516 CZ ARG A 31 10.210 -2.184 -2.509 1.00 0.00 C ATOM 517 NH1 ARG A 31 9.352 -1.583 -3.288 1.00 0.00 N ATOM 518 NH2 ARG A 31 10.052 -3.449 -2.224 1.00 0.00 N ATOM 0 H ARG A 31 8.338 3.399 -1.818 1.00 0.00 H new ATOM 0 HA ARG A 31 10.292 2.768 0.377 1.00 0.00 H new ATOM 0 HB2 ARG A 31 10.605 2.475 -2.646 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.963 2.481 -1.539 1.00 0.00 H new ATOM 0 HG2 ARG A 31 10.980 0.538 -0.304 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.596 0.543 -1.379 1.00 0.00 H new ATOM 0 HD2 ARG A 31 11.102 0.126 -3.337 1.00 0.00 H new ATOM 0 HD3 ARG A 31 12.499 0.154 -2.279 1.00 0.00 H new ATOM 0 HE ARG A 31 11.891 -2.020 -1.404 1.00 0.00 H new ATOM 0 HH11 ARG A 31 9.473 -0.596 -3.514 1.00 0.00 H new ATOM 0 HH12 ARG A 31 8.561 -2.101 -3.670 1.00 0.00 H new ATOM 0 HH21 ARG A 31 10.721 -3.923 -1.617 1.00 0.00 H new ATOM 0 HH22 ARG A 31 9.259 -3.963 -2.608 1.00 0.00 H new ATOM 532 N LYS A 32 11.263 5.043 0.176 1.00 0.00 N ATOM 533 CA LYS A 32 11.720 6.462 0.157 1.00 0.00 C ATOM 534 C LYS A 32 12.954 6.607 -0.732 1.00 0.00 C ATOM 535 O LYS A 32 13.860 5.799 -0.708 1.00 0.00 O ATOM 536 CB LYS A 32 12.065 6.900 1.581 1.00 0.00 C ATOM 537 CG LYS A 32 12.427 8.385 1.582 1.00 0.00 C ATOM 538 CD LYS A 32 12.655 8.857 3.019 1.00 0.00 C ATOM 539 CE LYS A 32 12.986 10.352 3.019 1.00 0.00 C ATOM 540 NZ LYS A 32 14.298 10.572 2.350 1.00 0.00 N ATOM 0 H LYS A 32 11.584 4.502 0.979 1.00 0.00 H new ATOM 0 HA LYS A 32 10.922 7.089 -0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 32 11.218 6.720 2.244 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.899 6.311 1.962 1.00 0.00 H new ATOM 0 HG2 LYS A 32 13.325 8.551 0.987 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.628 8.965 1.121 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.765 8.671 3.620 1.00 0.00 H new ATOM 0 HD3 LYS A 32 13.470 8.293 3.473 1.00 0.00 H new ATOM 0 HE2 LYS A 32 12.204 10.908 2.501 1.00 0.00 H new ATOM 0 HE3 LYS A 32 13.020 10.727 4.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 14.659 11.516 2.596 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 14.975 9.849 2.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 14.178 10.505 1.319 1.00 0.00 H new ATOM 554 N VAL A 33 12.980 7.642 -1.518 1.00 0.00 N ATOM 555 CA VAL A 33 14.133 7.876 -2.429 1.00 0.00 C ATOM 556 C VAL A 33 15.378 8.245 -1.621 1.00 0.00 C ATOM 557 O VAL A 33 15.341 9.076 -0.737 1.00 0.00 O ATOM 558 CB VAL A 33 13.794 9.017 -3.393 1.00 0.00 C ATOM 559 CG1 VAL A 33 15.027 9.369 -4.230 1.00 0.00 C ATOM 560 CG2 VAL A 33 12.660 8.572 -4.320 1.00 0.00 C ATOM 0 H VAL A 33 12.243 8.345 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 33 14.333 6.964 -2.991 1.00 0.00 H new ATOM 0 HB VAL A 33 13.483 9.893 -2.824 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.782 10.181 -4.915 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.837 9.682 -3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.341 8.495 -4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 33 12.414 9.381 -5.009 1.00 0.00 H new ATOM 0 HG22 VAL A 33 12.976 7.696 -4.887 1.00 0.00 H new ATOM 0 HG23 VAL A 33 11.781 8.322 -3.726 1.00 0.00 H new ATOM 643 N THR A 39 14.358 -1.694 4.844 1.00 0.00 N ATOM 644 CA THR A 39 13.247 -2.685 4.908 1.00 0.00 C ATOM 645 C THR A 39 11.918 -2.002 4.543 1.00 0.00 C ATOM 646 O THR A 39 11.332 -1.314 5.358 1.00 0.00 O ATOM 647 CB THR A 39 13.156 -3.276 6.327 1.00 0.00 C ATOM 648 OG1 THR A 39 14.464 -3.364 6.873 1.00 0.00 O ATOM 649 CG2 THR A 39 12.533 -4.677 6.264 1.00 0.00 C ATOM 0 HA THR A 39 13.444 -3.488 4.198 1.00 0.00 H new ATOM 0 HB THR A 39 12.534 -2.636 6.953 1.00 0.00 H new ATOM 0 HG1 THR A 39 15.029 -2.665 6.483 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.470 -5.093 7.270 1.00 0.00 H new ATOM 0 HG22 THR A 39 11.533 -4.612 5.835 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.153 -5.323 5.643 1.00 0.00 H new ATOM 657 N PRO A 40 11.435 -2.186 3.335 1.00 0.00 N ATOM 658 CA PRO A 40 10.152 -1.567 2.889 1.00 0.00 C ATOM 659 C PRO A 40 9.003 -1.842 3.860 1.00 0.00 C ATOM 660 O PRO A 40 8.924 -2.890 4.466 1.00 0.00 O ATOM 661 CB PRO A 40 9.882 -2.225 1.525 1.00 0.00 C ATOM 662 CG PRO A 40 11.228 -2.639 1.024 1.00 0.00 C ATOM 663 CD PRO A 40 12.054 -2.981 2.260 1.00 0.00 C ATOM 0 HA PRO A 40 10.224 -0.481 2.839 1.00 0.00 H new ATOM 0 HB2 PRO A 40 9.217 -3.083 1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 40 9.402 -1.528 0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 40 11.148 -3.499 0.359 1.00 0.00 H new ATOM 0 HG3 PRO A 40 11.695 -1.836 0.453 1.00 0.00 H new ATOM 0 HD2 PRO A 40 12.018 -4.048 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 40 13.103 -2.719 2.124 1.00 0.00 H new ATOM 671 N ILE A 41 8.117 -0.891 4.000 1.00 0.00 N ATOM 672 CA ILE A 41 6.949 -1.051 4.922 1.00 0.00 C ATOM 673 C ILE A 41 5.658 -1.061 4.092 1.00 0.00 C ATOM 674 O ILE A 41 5.120 -0.021 3.761 1.00 0.00 O ATOM 675 CB ILE A 41 6.917 0.118 5.906 1.00 0.00 C ATOM 676 CG1 ILE A 41 8.286 0.243 6.596 1.00 0.00 C ATOM 677 CG2 ILE A 41 5.835 -0.137 6.959 1.00 0.00 C ATOM 678 CD1 ILE A 41 8.700 -1.097 7.225 1.00 0.00 C ATOM 0 H ILE A 41 8.152 0.002 3.509 1.00 0.00 H new ATOM 0 HA ILE A 41 7.037 -1.986 5.476 1.00 0.00 H new ATOM 0 HB ILE A 41 6.695 1.041 5.371 1.00 0.00 H new ATOM 0 HG12 ILE A 41 9.037 0.558 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 41 8.242 1.014 7.365 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.809 0.695 7.663 1.00 0.00 H new ATOM 0 HG22 ILE A 41 4.865 -0.229 6.470 1.00 0.00 H new ATOM 0 HG23 ILE A 41 6.059 -1.059 7.495 1.00 0.00 H new ATOM 0 HD11 ILE A 41 9.671 -0.988 7.708 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.958 -1.396 7.965 1.00 0.00 H new ATOM 0 HD13 ILE A 41 8.765 -1.859 6.448 1.00 0.00 H new ATOM 690 N PRO A 42 5.164 -2.228 3.751 1.00 0.00 N ATOM 691 CA PRO A 42 3.916 -2.371 2.943 1.00 0.00 C ATOM 692 C PRO A 42 2.747 -1.583 3.531 1.00 0.00 C ATOM 693 O PRO A 42 2.590 -1.480 4.730 1.00 0.00 O ATOM 694 CB PRO A 42 3.628 -3.881 2.986 1.00 0.00 C ATOM 695 CG PRO A 42 4.957 -4.522 3.224 1.00 0.00 C ATOM 696 CD PRO A 42 5.746 -3.539 4.080 1.00 0.00 C ATOM 0 HA PRO A 42 4.040 -1.979 1.933 1.00 0.00 H new ATOM 0 HB2 PRO A 42 2.924 -4.126 3.781 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.186 -4.225 2.051 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.844 -5.479 3.732 1.00 0.00 H new ATOM 0 HG3 PRO A 42 5.470 -4.720 2.283 1.00 0.00 H new ATOM 0 HD2 PRO A 42 5.645 -3.765 5.142 1.00 0.00 H new ATOM 0 HD3 PRO A 42 6.810 -3.572 3.847 1.00 0.00 H new ATOM 704 N THR A 43 1.937 -1.017 2.679 1.00 0.00 N ATOM 705 CA THR A 43 0.770 -0.210 3.150 1.00 0.00 C ATOM 706 C THR A 43 -0.530 -0.969 2.895 1.00 0.00 C ATOM 707 O THR A 43 -0.722 -1.582 1.856 1.00 0.00 O ATOM 708 CB THR A 43 0.738 1.131 2.402 1.00 0.00 C ATOM 709 OG1 THR A 43 -0.607 1.553 2.253 1.00 0.00 O ATOM 710 CG2 THR A 43 1.378 0.983 1.019 1.00 0.00 C ATOM 0 H THR A 43 2.033 -1.079 1.665 1.00 0.00 H new ATOM 0 HA THR A 43 0.871 -0.029 4.220 1.00 0.00 H new ATOM 0 HB THR A 43 1.299 1.870 2.975 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.927 1.315 1.358 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.348 1.941 0.500 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.414 0.662 1.130 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.828 0.240 0.441 1.00 0.00 H new ATOM 718 N THR A 44 -1.420 -0.922 3.850 1.00 0.00 N ATOM 719 CA THR A 44 -2.734 -1.621 3.714 1.00 0.00 C ATOM 720 C THR A 44 -3.840 -0.736 4.272 1.00 0.00 C ATOM 721 O THR A 44 -3.590 0.240 4.953 1.00 0.00 O ATOM 722 CB THR A 44 -2.707 -2.942 4.482 1.00 0.00 C ATOM 723 OG1 THR A 44 -2.634 -2.686 5.879 1.00 0.00 O ATOM 724 CG2 THR A 44 -1.495 -3.760 4.044 1.00 0.00 C ATOM 0 H THR A 44 -1.292 -0.423 4.730 1.00 0.00 H new ATOM 0 HA THR A 44 -2.921 -1.824 2.660 1.00 0.00 H new ATOM 0 HB THR A 44 -3.618 -3.502 4.270 1.00 0.00 H new ATOM 0 HG1 THR A 44 -2.157 -3.419 6.321 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.475 -4.702 4.591 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.560 -3.963 2.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 -0.583 -3.200 4.252 1.00 0.00 H new ATOM 732 N TYR A 45 -5.064 -1.081 3.987 1.00 0.00 N ATOM 733 CA TYR A 45 -6.212 -0.278 4.492 1.00 0.00 C ATOM 734 C TYR A 45 -7.318 -1.228 4.984 1.00 0.00 C ATOM 735 O TYR A 45 -7.602 -2.216 4.340 1.00 0.00 O ATOM 736 CB TYR A 45 -6.766 0.588 3.363 1.00 0.00 C ATOM 737 CG TYR A 45 -7.739 1.598 3.933 1.00 0.00 C ATOM 738 CD1 TYR A 45 -9.086 1.258 4.104 1.00 0.00 C ATOM 739 CD2 TYR A 45 -7.290 2.877 4.288 1.00 0.00 C ATOM 740 CE1 TYR A 45 -9.985 2.196 4.630 1.00 0.00 C ATOM 741 CE2 TYR A 45 -8.189 3.814 4.815 1.00 0.00 C ATOM 742 CZ TYR A 45 -9.536 3.474 4.985 1.00 0.00 C ATOM 743 OH TYR A 45 -10.421 4.396 5.505 1.00 0.00 O ATOM 0 H TYR A 45 -5.320 -1.891 3.422 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.877 0.358 5.311 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -5.952 1.100 2.850 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -7.266 -0.037 2.623 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -9.433 0.272 3.831 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -6.251 3.141 4.155 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -11.024 1.933 4.762 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -7.842 4.799 5.090 1.00 0.00 H new ATOM 0 HH TYR A 45 -9.947 5.231 5.699 1.00 0.00 H new ATOM 753 N PRO A 46 -7.946 -0.932 6.104 1.00 0.00 N ATOM 754 CA PRO A 46 -9.057 -1.770 6.659 1.00 0.00 C ATOM 755 C PRO A 46 -10.126 -2.097 5.603 1.00 0.00 C ATOM 756 O PRO A 46 -11.227 -1.581 5.627 1.00 0.00 O ATOM 757 CB PRO A 46 -9.639 -0.890 7.782 1.00 0.00 C ATOM 758 CG PRO A 46 -8.505 -0.020 8.216 1.00 0.00 C ATOM 759 CD PRO A 46 -7.650 0.214 6.980 1.00 0.00 C ATOM 0 HA PRO A 46 -8.706 -2.742 7.007 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -10.478 -0.295 7.422 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -10.009 -1.497 8.608 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -8.871 0.924 8.620 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -7.926 -0.501 9.004 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -7.901 1.158 6.497 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -6.591 0.257 7.233 1.00 0.00 H new ATOM 767 N GLU A 47 -9.801 -2.960 4.683 1.00 0.00 N ATOM 768 CA GLU A 47 -10.775 -3.343 3.622 1.00 0.00 C ATOM 769 C GLU A 47 -10.195 -4.485 2.793 1.00 0.00 C ATOM 770 O GLU A 47 -9.009 -4.533 2.535 1.00 0.00 O ATOM 771 CB GLU A 47 -11.065 -2.144 2.711 1.00 0.00 C ATOM 772 CG GLU A 47 -9.811 -1.766 1.914 1.00 0.00 C ATOM 773 CD GLU A 47 -10.057 -0.451 1.176 1.00 0.00 C ATOM 774 OE1 GLU A 47 -11.176 -0.242 0.736 1.00 0.00 O ATOM 775 OE2 GLU A 47 -9.123 0.324 1.062 1.00 0.00 O ATOM 0 H GLU A 47 -8.894 -3.421 4.619 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.706 -3.663 4.091 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.879 -2.386 2.028 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.393 -1.295 3.310 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.957 -1.666 2.584 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.567 -2.555 1.203 1.00 0.00 H new ATOM 782 N PHE A 48 -11.032 -5.396 2.376 1.00 0.00 N ATOM 783 CA PHE A 48 -10.563 -6.557 1.557 1.00 0.00 C ATOM 784 C PHE A 48 -11.360 -6.629 0.256 1.00 0.00 C ATOM 785 O PHE A 48 -12.512 -6.250 0.192 1.00 0.00 O ATOM 786 CB PHE A 48 -10.757 -7.862 2.350 1.00 0.00 C ATOM 787 CG PHE A 48 -11.978 -7.753 3.236 1.00 0.00 C ATOM 788 CD1 PHE A 48 -13.255 -7.986 2.710 1.00 0.00 C ATOM 789 CD2 PHE A 48 -11.829 -7.427 4.589 1.00 0.00 C ATOM 790 CE1 PHE A 48 -14.381 -7.893 3.538 1.00 0.00 C ATOM 791 CE2 PHE A 48 -12.953 -7.336 5.417 1.00 0.00 C ATOM 792 CZ PHE A 48 -14.230 -7.568 4.891 1.00 0.00 C ATOM 0 H PHE A 48 -12.034 -5.387 2.569 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.506 -6.426 1.325 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.870 -8.701 1.663 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.874 -8.063 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -13.372 -8.237 1.666 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -10.845 -7.245 4.994 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -15.366 -8.072 3.132 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.836 -7.087 6.461 1.00 0.00 H new ATOM 0 HZ PHE A 48 -15.098 -7.496 5.529 1.00 0.00 H new ATOM 802 N TYR A 49 -10.737 -7.123 -0.776 1.00 0.00 N ATOM 803 CA TYR A 49 -11.427 -7.249 -2.094 1.00 0.00 C ATOM 804 C TYR A 49 -11.080 -8.597 -2.728 1.00 0.00 C ATOM 805 O TYR A 49 -9.931 -8.983 -2.815 1.00 0.00 O ATOM 806 CB TYR A 49 -10.976 -6.117 -3.017 1.00 0.00 C ATOM 807 CG TYR A 49 -11.513 -4.804 -2.495 1.00 0.00 C ATOM 808 CD1 TYR A 49 -12.868 -4.492 -2.659 1.00 0.00 C ATOM 809 CD2 TYR A 49 -10.660 -3.899 -1.853 1.00 0.00 C ATOM 810 CE1 TYR A 49 -13.370 -3.277 -2.180 1.00 0.00 C ATOM 811 CE2 TYR A 49 -11.162 -2.683 -1.376 1.00 0.00 C ATOM 812 CZ TYR A 49 -12.517 -2.372 -1.539 1.00 0.00 C ATOM 813 OH TYR A 49 -13.010 -1.173 -1.067 1.00 0.00 O ATOM 0 H TYR A 49 -9.770 -7.448 -0.765 1.00 0.00 H new ATOM 0 HA TYR A 49 -12.505 -7.187 -1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -9.888 -6.084 -3.066 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -11.336 -6.293 -4.031 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -13.526 -5.190 -3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -9.615 -4.139 -1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -14.416 -3.038 -2.305 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -10.504 -1.984 -0.882 1.00 0.00 H new ATOM 0 HH TYR A 49 -12.385 -0.797 -0.412 1.00 0.00 H new ATOM 823 N ASP A 50 -12.075 -9.302 -3.180 1.00 0.00 N ATOM 824 CA ASP A 50 -11.839 -10.622 -3.830 1.00 0.00 C ATOM 825 C ASP A 50 -11.255 -10.388 -5.224 1.00 0.00 C ATOM 826 O ASP A 50 -10.714 -11.280 -5.846 1.00 0.00 O ATOM 827 CB ASP A 50 -13.170 -11.373 -3.954 1.00 0.00 C ATOM 828 CG ASP A 50 -13.636 -11.820 -2.569 1.00 0.00 C ATOM 829 OD1 ASP A 50 -12.827 -11.791 -1.655 1.00 0.00 O ATOM 830 OD2 ASP A 50 -14.793 -12.189 -2.442 1.00 0.00 O ATOM 0 H ASP A 50 -13.053 -9.019 -3.127 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.145 -11.213 -3.232 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -13.921 -10.729 -4.412 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -13.052 -12.238 -4.606 1.00 0.00 H new ATOM 835 N LEU A 51 -11.375 -9.184 -5.721 1.00 0.00 N ATOM 836 CA LEU A 51 -10.844 -8.864 -7.082 1.00 0.00 C ATOM 837 C LEU A 51 -9.456 -8.235 -6.952 1.00 0.00 C ATOM 838 O LEU A 51 -9.237 -7.322 -6.182 1.00 0.00 O ATOM 839 CB LEU A 51 -11.795 -7.884 -7.779 1.00 0.00 C ATOM 840 CG LEU A 51 -13.207 -8.488 -7.835 1.00 0.00 C ATOM 841 CD1 LEU A 51 -14.169 -7.486 -8.481 1.00 0.00 C ATOM 842 CD2 LEU A 51 -13.187 -9.788 -8.659 1.00 0.00 C ATOM 0 H LEU A 51 -11.821 -8.403 -5.240 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.770 -9.777 -7.672 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.815 -6.936 -7.241 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.439 -7.671 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 51 -13.541 -8.711 -6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -15.170 -7.916 -8.520 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -14.190 -6.570 -7.891 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -13.832 -7.258 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -14.191 -10.211 -8.695 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -12.848 -9.571 -9.672 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -12.508 -10.503 -8.194 1.00 0.00 H new ATOM 854 N GLU A 52 -8.520 -8.741 -7.704 1.00 0.00 N ATOM 855 CA GLU A 52 -7.124 -8.216 -7.656 1.00 0.00 C ATOM 856 C GLU A 52 -7.064 -6.804 -8.247 1.00 0.00 C ATOM 857 O GLU A 52 -6.331 -5.955 -7.779 1.00 0.00 O ATOM 858 CB GLU A 52 -6.214 -9.142 -8.472 1.00 0.00 C ATOM 859 CG GLU A 52 -4.767 -8.646 -8.389 1.00 0.00 C ATOM 860 CD GLU A 52 -3.835 -9.608 -9.127 1.00 0.00 C ATOM 861 OE1 GLU A 52 -4.334 -10.456 -9.850 1.00 0.00 O ATOM 862 OE2 GLU A 52 -2.633 -9.478 -8.960 1.00 0.00 O ATOM 0 H GLU A 52 -8.664 -9.508 -8.361 1.00 0.00 H new ATOM 0 HA GLU A 52 -6.793 -8.179 -6.618 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.282 -10.162 -8.092 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -6.541 -9.166 -9.511 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -4.691 -7.649 -8.824 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.463 -8.562 -7.346 1.00 0.00 H new ATOM 869 N ALA A 53 -7.821 -6.549 -9.279 1.00 0.00 N ATOM 870 CA ALA A 53 -7.799 -5.195 -9.912 1.00 0.00 C ATOM 871 C ALA A 53 -8.216 -4.141 -8.886 1.00 0.00 C ATOM 872 O ALA A 53 -7.626 -3.084 -8.785 1.00 0.00 O ATOM 873 CB ALA A 53 -8.782 -5.168 -11.084 1.00 0.00 C ATOM 0 H ALA A 53 -8.455 -7.219 -9.713 1.00 0.00 H new ATOM 0 HA ALA A 53 -6.791 -4.980 -10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -8.768 -4.182 -11.548 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -8.492 -5.919 -11.819 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -9.787 -5.384 -10.721 1.00 0.00 H new ATOM 879 N ASP A 54 -9.229 -4.433 -8.118 1.00 0.00 N ATOM 880 CA ASP A 54 -9.698 -3.464 -7.084 1.00 0.00 C ATOM 881 C ASP A 54 -8.595 -3.258 -6.041 1.00 0.00 C ATOM 882 O ASP A 54 -8.363 -2.163 -5.568 1.00 0.00 O ATOM 883 CB ASP A 54 -10.943 -4.025 -6.390 1.00 0.00 C ATOM 884 CG ASP A 54 -12.144 -3.944 -7.334 1.00 0.00 C ATOM 885 OD1 ASP A 54 -12.049 -3.236 -8.322 1.00 0.00 O ATOM 886 OD2 ASP A 54 -13.141 -4.588 -7.048 1.00 0.00 O ATOM 0 H ASP A 54 -9.756 -5.305 -8.161 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.937 -2.513 -7.560 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -10.770 -5.060 -6.094 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -11.147 -3.463 -5.479 1.00 0.00 H new ATOM 891 N ALA A 55 -7.921 -4.315 -5.678 1.00 0.00 N ATOM 892 CA ALA A 55 -6.835 -4.207 -4.660 1.00 0.00 C ATOM 893 C ALA A 55 -5.697 -3.340 -5.206 1.00 0.00 C ATOM 894 O ALA A 55 -5.111 -2.544 -4.499 1.00 0.00 O ATOM 895 CB ALA A 55 -6.294 -5.605 -4.350 1.00 0.00 C ATOM 0 H ALA A 55 -8.076 -5.254 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.235 -3.752 -3.754 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.500 -5.531 -3.607 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -7.099 -6.229 -3.961 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.897 -6.052 -5.262 1.00 0.00 H new ATOM 901 N GLU A 56 -5.378 -3.499 -6.462 1.00 0.00 N ATOM 902 CA GLU A 56 -4.275 -2.694 -7.067 1.00 0.00 C ATOM 903 C GLU A 56 -4.676 -1.217 -7.127 1.00 0.00 C ATOM 904 O GLU A 56 -3.929 -0.341 -6.737 1.00 0.00 O ATOM 905 CB GLU A 56 -4.004 -3.195 -8.488 1.00 0.00 C ATOM 906 CG GLU A 56 -3.397 -4.599 -8.430 1.00 0.00 C ATOM 907 CD GLU A 56 -3.200 -5.139 -9.849 1.00 0.00 C ATOM 908 OE1 GLU A 56 -3.535 -4.430 -10.785 1.00 0.00 O ATOM 909 OE2 GLU A 56 -2.716 -6.251 -9.977 1.00 0.00 O ATOM 0 H GLU A 56 -5.834 -4.153 -7.098 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.379 -2.801 -6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.931 -3.212 -9.061 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.324 -2.515 -9.001 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.442 -4.570 -7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.050 -5.264 -7.865 1.00 0.00 H new ATOM 916 N ARG A 57 -5.852 -0.942 -7.618 1.00 0.00 N ATOM 917 CA ARG A 57 -6.315 0.475 -7.718 1.00 0.00 C ATOM 918 C ARG A 57 -6.447 1.076 -6.318 1.00 0.00 C ATOM 919 O ARG A 57 -6.034 2.189 -6.058 1.00 0.00 O ATOM 920 CB ARG A 57 -7.684 0.512 -8.402 1.00 0.00 C ATOM 921 CG ARG A 57 -8.120 1.967 -8.595 1.00 0.00 C ATOM 922 CD ARG A 57 -9.452 2.015 -9.349 1.00 0.00 C ATOM 923 NE ARG A 57 -10.528 1.405 -8.510 1.00 0.00 N ATOM 924 CZ ARG A 57 -11.187 2.128 -7.641 1.00 0.00 C ATOM 925 NH1 ARG A 57 -10.917 3.395 -7.488 1.00 0.00 N ATOM 926 NH2 ARG A 57 -12.126 1.573 -6.923 1.00 0.00 N ATOM 0 H ARG A 57 -6.516 -1.638 -7.956 1.00 0.00 H new ATOM 0 HA ARG A 57 -5.591 1.049 -8.296 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -7.634 0.005 -9.366 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.418 -0.022 -7.799 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -8.222 2.457 -7.627 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -7.358 2.514 -9.150 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.707 3.047 -9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -9.366 1.478 -10.294 1.00 0.00 H new ATOM 0 HE ARG A 57 -10.751 0.415 -8.616 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.186 3.832 -8.049 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -11.437 3.949 -6.808 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.341 0.583 -7.042 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -12.644 2.129 -6.243 1.00 0.00 H new ATOM 940 N VAL A 58 -7.026 0.336 -5.417 1.00 0.00 N ATOM 941 CA VAL A 58 -7.204 0.832 -4.023 1.00 0.00 C ATOM 942 C VAL A 58 -5.838 0.964 -3.345 1.00 0.00 C ATOM 943 O VAL A 58 -5.573 1.911 -2.631 1.00 0.00 O ATOM 944 CB VAL A 58 -8.073 -0.152 -3.235 1.00 0.00 C ATOM 945 CG1 VAL A 58 -8.102 0.255 -1.758 1.00 0.00 C ATOM 946 CG2 VAL A 58 -9.499 -0.138 -3.795 1.00 0.00 C ATOM 0 H VAL A 58 -7.388 -0.602 -5.587 1.00 0.00 H new ATOM 0 HA VAL A 58 -7.691 1.807 -4.047 1.00 0.00 H new ATOM 0 HB VAL A 58 -7.655 -1.155 -3.327 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -8.721 -0.447 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.088 0.243 -1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -8.517 1.259 -1.665 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -10.117 -0.839 -3.234 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -9.915 0.865 -3.706 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -9.481 -0.431 -4.845 1.00 0.00 H new ATOM 956 N SER A 59 -4.978 0.005 -3.551 1.00 0.00 N ATOM 957 CA SER A 59 -3.632 0.051 -2.909 1.00 0.00 C ATOM 958 C SER A 59 -2.908 1.335 -3.321 1.00 0.00 C ATOM 959 O SER A 59 -2.250 1.975 -2.523 1.00 0.00 O ATOM 960 CB SER A 59 -2.812 -1.164 -3.350 1.00 0.00 C ATOM 961 OG SER A 59 -2.681 -1.157 -4.765 1.00 0.00 O ATOM 0 H SER A 59 -5.149 -0.811 -4.138 1.00 0.00 H new ATOM 0 HA SER A 59 -3.749 0.035 -1.825 1.00 0.00 H new ATOM 0 HB2 SER A 59 -1.828 -1.141 -2.883 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.299 -2.083 -3.023 1.00 0.00 H new ATOM 0 HG SER A 59 -3.391 -0.606 -5.157 1.00 0.00 H new ATOM 967 N ILE A 60 -3.030 1.720 -4.560 1.00 0.00 N ATOM 968 CA ILE A 60 -2.360 2.970 -5.022 1.00 0.00 C ATOM 969 C ILE A 60 -2.980 4.173 -4.299 1.00 0.00 C ATOM 970 O ILE A 60 -2.293 5.064 -3.838 1.00 0.00 O ATOM 971 CB ILE A 60 -2.560 3.132 -6.533 1.00 0.00 C ATOM 972 CG1 ILE A 60 -1.790 2.033 -7.274 1.00 0.00 C ATOM 973 CG2 ILE A 60 -2.042 4.503 -6.976 1.00 0.00 C ATOM 974 CD1 ILE A 60 -2.201 2.019 -8.749 1.00 0.00 C ATOM 0 H ILE A 60 -3.564 1.224 -5.274 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.294 2.914 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.622 3.052 -6.766 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -0.717 2.206 -7.187 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.995 1.063 -6.820 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.185 4.616 -8.051 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -2.591 5.286 -6.452 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.981 4.584 -6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.652 1.237 -9.272 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.271 1.825 -8.827 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.974 2.985 -9.199 1.00 0.00 H new ATOM 986 N ALA A 61 -4.282 4.194 -4.205 1.00 0.00 N ATOM 987 CA ALA A 61 -4.972 5.326 -3.521 1.00 0.00 C ATOM 988 C ALA A 61 -4.658 5.283 -2.025 1.00 0.00 C ATOM 989 O ALA A 61 -4.460 6.297 -1.385 1.00 0.00 O ATOM 990 CB ALA A 61 -6.483 5.194 -3.723 1.00 0.00 C ATOM 0 H ALA A 61 -4.901 3.472 -4.574 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.626 6.271 -3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -6.990 6.020 -3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -6.711 5.218 -4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.825 4.249 -3.300 1.00 0.00 H new ATOM 996 N CYS A 62 -4.610 4.106 -1.472 1.00 0.00 N ATOM 997 CA CYS A 62 -4.306 3.963 -0.019 1.00 0.00 C ATOM 998 C CYS A 62 -2.869 4.417 0.246 1.00 0.00 C ATOM 999 O CYS A 62 -2.560 5.004 1.264 1.00 0.00 O ATOM 1000 CB CYS A 62 -4.469 2.487 0.384 1.00 0.00 C ATOM 1001 SG CYS A 62 -2.920 1.577 0.125 1.00 0.00 S ATOM 0 H CYS A 62 -4.769 3.228 -1.966 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.989 4.578 0.566 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.765 2.421 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -5.267 2.031 -0.202 1.00 0.00 H new ATOM 0 HG CYS A 62 -2.481 1.801 -1.078 1.00 0.00 H new ATOM 1007 N ALA A 63 -1.992 4.126 -0.673 1.00 0.00 N ATOM 1008 CA ALA A 63 -0.563 4.508 -0.504 1.00 0.00 C ATOM 1009 C ALA A 63 -0.452 6.027 -0.391 1.00 0.00 C ATOM 1010 O ALA A 63 0.247 6.552 0.453 1.00 0.00 O ATOM 1011 CB ALA A 63 0.230 4.035 -1.723 1.00 0.00 C ATOM 0 H ALA A 63 -2.206 3.636 -1.541 1.00 0.00 H new ATOM 0 HA ALA A 63 -0.165 4.045 0.399 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.278 4.312 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.149 2.952 -1.812 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.170 4.504 -2.622 1.00 0.00 H new ATOM 1017 N LYS A 64 -1.146 6.733 -1.239 1.00 0.00 N ATOM 1018 CA LYS A 64 -1.098 8.224 -1.194 1.00 0.00 C ATOM 1019 C LYS A 64 -1.680 8.715 0.136 1.00 0.00 C ATOM 1020 O LYS A 64 -1.159 9.615 0.766 1.00 0.00 O ATOM 1021 CB LYS A 64 -1.928 8.788 -2.347 1.00 0.00 C ATOM 1022 CG LYS A 64 -1.244 8.462 -3.677 1.00 0.00 C ATOM 1023 CD LYS A 64 -2.090 8.996 -4.834 1.00 0.00 C ATOM 1024 CE LYS A 64 -1.396 8.684 -6.161 1.00 0.00 C ATOM 1025 NZ LYS A 64 -2.227 9.192 -7.290 1.00 0.00 N ATOM 0 H LYS A 64 -1.747 6.342 -1.964 1.00 0.00 H new ATOM 0 HA LYS A 64 -0.065 8.559 -1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -2.932 8.363 -2.328 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -2.037 9.867 -2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -0.250 8.907 -3.705 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -1.114 7.384 -3.776 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -3.081 8.542 -4.814 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -2.231 10.072 -4.729 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -0.409 9.147 -6.185 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.246 7.609 -6.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.755 8.980 -8.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -3.159 8.731 -7.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.348 10.221 -7.197 1.00 0.00 H new ATOM 1039 N ILE A 65 -2.763 8.125 0.558 1.00 0.00 N ATOM 1040 CA ILE A 65 -3.404 8.538 1.843 1.00 0.00 C ATOM 1041 C ILE A 65 -2.470 8.216 3.014 1.00 0.00 C ATOM 1042 O ILE A 65 -2.307 8.996 3.931 1.00 0.00 O ATOM 1043 CB ILE A 65 -4.724 7.782 2.019 1.00 0.00 C ATOM 1044 CG1 ILE A 65 -5.726 8.254 0.959 1.00 0.00 C ATOM 1045 CG2 ILE A 65 -5.295 8.056 3.414 1.00 0.00 C ATOM 1046 CD1 ILE A 65 -6.938 7.319 0.941 1.00 0.00 C ATOM 0 H ILE A 65 -3.237 7.368 0.066 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.597 9.611 1.822 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.545 6.713 1.905 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.045 9.274 1.175 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -5.252 8.269 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.234 7.516 3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.584 7.722 4.170 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.473 9.125 3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.648 7.658 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -6.613 6.306 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.418 7.326 1.920 1.00 0.00 H new ATOM 1058 N ILE A 66 -1.869 7.061 2.992 1.00 0.00 N ATOM 1059 CA ILE A 66 -0.953 6.666 4.104 1.00 0.00 C ATOM 1060 C ILE A 66 0.245 7.615 4.145 1.00 0.00 C ATOM 1061 O ILE A 66 0.676 8.049 5.196 1.00 0.00 O ATOM 1062 CB ILE A 66 -0.461 5.229 3.879 1.00 0.00 C ATOM 1063 CG1 ILE A 66 -1.637 4.241 4.044 1.00 0.00 C ATOM 1064 CG2 ILE A 66 0.651 4.894 4.888 1.00 0.00 C ATOM 1065 CD1 ILE A 66 -1.831 3.874 5.524 1.00 0.00 C ATOM 0 H ILE A 66 -1.971 6.368 2.250 1.00 0.00 H new ATOM 0 HA ILE A 66 -1.491 6.722 5.051 1.00 0.00 H new ATOM 0 HB ILE A 66 -0.062 5.142 2.868 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -2.551 4.686 3.651 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -1.446 3.339 3.462 1.00 0.00 H new ATOM 0 HG21 ILE A 66 0.996 3.873 4.724 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.484 5.585 4.754 1.00 0.00 H new ATOM 0 HG23 ILE A 66 0.262 4.987 5.902 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.664 3.177 5.620 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.922 3.408 5.905 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -2.045 4.776 6.098 1.00 0.00 H new ATOM 1077 N ILE A 67 0.788 7.927 3.006 1.00 0.00 N ATOM 1078 CA ILE A 67 1.964 8.842 2.959 1.00 0.00 C ATOM 1079 C ILE A 67 1.558 10.221 3.487 1.00 0.00 C ATOM 1080 O ILE A 67 2.270 10.842 4.251 1.00 0.00 O ATOM 1081 CB ILE A 67 2.448 8.966 1.513 1.00 0.00 C ATOM 1082 CG1 ILE A 67 3.054 7.631 1.063 1.00 0.00 C ATOM 1083 CG2 ILE A 67 3.510 10.065 1.416 1.00 0.00 C ATOM 1084 CD1 ILE A 67 3.214 7.623 -0.460 1.00 0.00 C ATOM 0 H ILE A 67 0.468 7.587 2.099 1.00 0.00 H new ATOM 0 HA ILE A 67 2.767 8.442 3.578 1.00 0.00 H new ATOM 0 HB ILE A 67 1.605 9.221 0.871 1.00 0.00 H new ATOM 0 HG12 ILE A 67 4.022 7.481 1.541 1.00 0.00 H new ATOM 0 HG13 ILE A 67 2.413 6.806 1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 67 3.852 10.150 0.385 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.081 11.015 1.736 1.00 0.00 H new ATOM 0 HG23 ILE A 67 4.354 9.813 2.059 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.645 6.673 -0.776 1.00 0.00 H new ATOM 0 HD12 ILE A 67 2.239 7.753 -0.929 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.873 8.438 -0.761 1.00 0.00 H new ATOM 1096 N ASP A 68 0.420 10.706 3.074 1.00 0.00 N ATOM 1097 CA ASP A 68 -0.040 12.047 3.543 1.00 0.00 C ATOM 1098 C ASP A 68 -0.364 11.977 5.039 1.00 0.00 C ATOM 1099 O ASP A 68 -0.067 12.880 5.796 1.00 0.00 O ATOM 1100 CB ASP A 68 -1.307 12.448 2.764 1.00 0.00 C ATOM 1101 CG ASP A 68 -0.932 13.106 1.430 1.00 0.00 C ATOM 1102 OD1 ASP A 68 0.248 13.319 1.200 1.00 0.00 O ATOM 1103 OD2 ASP A 68 -1.835 13.389 0.659 1.00 0.00 O ATOM 0 H ASP A 68 -0.214 10.232 2.431 1.00 0.00 H new ATOM 0 HA ASP A 68 0.744 12.785 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.923 11.567 2.581 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.905 13.137 3.361 1.00 0.00 H new ATOM 1108 N SER A 69 -0.979 10.908 5.459 1.00 0.00 N ATOM 1109 CA SER A 69 -1.341 10.759 6.899 1.00 0.00 C ATOM 1110 C SER A 69 -0.075 10.718 7.758 1.00 0.00 C ATOM 1111 O SER A 69 -0.005 11.315 8.814 1.00 0.00 O ATOM 1112 CB SER A 69 -2.123 9.460 7.091 1.00 0.00 C ATOM 1113 OG SER A 69 -3.325 9.516 6.333 1.00 0.00 O ATOM 0 H SER A 69 -1.249 10.125 4.864 1.00 0.00 H new ATOM 0 HA SER A 69 -1.952 11.609 7.203 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.520 8.609 6.774 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.352 9.313 8.146 1.00 0.00 H new ATOM 0 HG SER A 69 -3.159 9.173 5.430 1.00 0.00 H new ATOM 1119 N HIS A 70 0.927 10.009 7.313 1.00 0.00 N ATOM 1120 CA HIS A 70 2.190 9.916 8.103 1.00 0.00 C ATOM 1121 C HIS A 70 2.812 11.306 8.252 1.00 0.00 C ATOM 1122 O HIS A 70 3.205 11.713 9.327 1.00 0.00 O ATOM 1123 CB HIS A 70 3.182 8.998 7.383 1.00 0.00 C ATOM 1124 CG HIS A 70 4.448 8.906 8.187 1.00 0.00 C ATOM 1125 ND1 HIS A 70 4.539 8.134 9.334 1.00 0.00 N ATOM 1126 CD2 HIS A 70 5.679 9.495 8.032 1.00 0.00 C ATOM 1127 CE1 HIS A 70 5.786 8.279 9.822 1.00 0.00 C ATOM 1128 NE2 HIS A 70 6.522 9.097 9.066 1.00 0.00 N ATOM 0 H HIS A 70 0.926 9.489 6.435 1.00 0.00 H new ATOM 0 HA HIS A 70 1.963 9.510 9.089 1.00 0.00 H new ATOM 0 HB2 HIS A 70 2.748 8.007 7.252 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.397 9.386 6.387 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.952 10.165 7.230 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.147 7.793 10.716 1.00 0.00 H new ATOM 0 HE2 HIS A 70 7.493 9.371 9.214 1.00 0.00 H new ATOM 1136 N LEU A 71 2.902 12.032 7.175 1.00 0.00 N ATOM 1137 CA LEU A 71 3.495 13.401 7.237 1.00 0.00 C ATOM 1138 C LEU A 71 2.608 14.300 8.096 1.00 0.00 C ATOM 1139 O LEU A 71 3.081 15.092 8.885 1.00 0.00 O ATOM 1140 CB LEU A 71 3.584 13.976 5.820 1.00 0.00 C ATOM 1141 CG LEU A 71 4.621 13.188 5.003 1.00 0.00 C ATOM 1142 CD1 LEU A 71 4.520 13.587 3.527 1.00 0.00 C ATOM 1143 CD2 LEU A 71 6.044 13.480 5.521 1.00 0.00 C ATOM 0 H LEU A 71 2.590 11.738 6.250 1.00 0.00 H new ATOM 0 HA LEU A 71 4.492 13.350 7.675 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.609 13.924 5.335 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.864 15.029 5.862 1.00 0.00 H new ATOM 0 HG LEU A 71 4.419 12.122 5.109 1.00 0.00 H new ATOM 0 HD11 LEU A 71 5.255 13.028 2.948 1.00 0.00 H new ATOM 0 HD12 LEU A 71 3.520 13.362 3.157 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.713 14.655 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 71 6.768 12.915 4.933 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.253 14.546 5.428 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.118 13.185 6.568 1.00 0.00 H new ATOM 1155 N ASP A 72 1.319 14.183 7.937 1.00 0.00 N ATOM 1156 CA ASP A 72 0.373 15.028 8.727 1.00 0.00 C ATOM 1157 C ASP A 72 -0.010 14.311 10.024 1.00 0.00 C ATOM 1158 O ASP A 72 0.467 14.634 11.094 1.00 0.00 O ATOM 1159 CB ASP A 72 -0.893 15.267 7.898 1.00 0.00 C ATOM 1160 CG ASP A 72 -1.881 16.137 8.679 1.00 0.00 C ATOM 1161 OD1 ASP A 72 -1.608 16.422 9.833 1.00 0.00 O ATOM 1162 OD2 ASP A 72 -2.898 16.501 8.110 1.00 0.00 O ATOM 0 H ASP A 72 0.874 13.533 7.289 1.00 0.00 H new ATOM 0 HA ASP A 72 0.852 15.977 8.967 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.634 15.753 6.957 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.357 14.313 7.647 1.00 0.00 H new ATOM 1237 N GLY A 77 4.001 3.791 10.232 1.00 0.00 N ATOM 1238 CA GLY A 77 4.132 3.485 8.781 1.00 0.00 C ATOM 1239 C GLY A 77 5.178 4.390 8.134 1.00 0.00 C ATOM 1240 O GLY A 77 5.269 5.568 8.422 1.00 0.00 O ATOM 0 HA2 GLY A 77 4.414 2.441 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.170 3.621 8.287 1.00 0.00 H new ATOM 1244 N LEU A 78 5.964 3.831 7.256 1.00 0.00 N ATOM 1245 CA LEU A 78 7.017 4.621 6.556 1.00 0.00 C ATOM 1246 C LEU A 78 7.994 5.184 7.588 1.00 0.00 C ATOM 1247 O LEU A 78 8.948 5.863 7.261 1.00 0.00 O ATOM 1248 CB LEU A 78 6.366 5.772 5.780 1.00 0.00 C ATOM 1249 CG LEU A 78 5.180 5.240 4.968 1.00 0.00 C ATOM 1250 CD1 LEU A 78 4.501 6.400 4.242 1.00 0.00 C ATOM 1251 CD2 LEU A 78 5.671 4.211 3.942 1.00 0.00 C ATOM 0 H LEU A 78 5.921 2.847 6.990 1.00 0.00 H new ATOM 0 HA LEU A 78 7.554 3.978 5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.029 6.545 6.471 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.096 6.235 5.116 1.00 0.00 H new ATOM 0 HG LEU A 78 4.468 4.763 5.641 1.00 0.00 H new ATOM 0 HD11 LEU A 78 3.657 6.023 3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.145 7.128 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.215 6.878 3.572 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.823 3.837 3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.386 4.682 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.153 3.382 4.460 1.00 0.00 H new ATOM 1263 N ALA A 79 7.759 4.897 8.838 1.00 0.00 N ATOM 1264 CA ALA A 79 8.660 5.398 9.914 1.00 0.00 C ATOM 1265 C ALA A 79 10.049 4.779 9.745 1.00 0.00 C ATOM 1266 O ALA A 79 11.060 5.430 9.925 1.00 0.00 O ATOM 1267 CB ALA A 79 8.089 4.988 11.272 1.00 0.00 C ATOM 0 H ALA A 79 6.975 4.332 9.163 1.00 0.00 H new ATOM 0 HA ALA A 79 8.736 6.484 9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 8.742 5.351 12.066 1.00 0.00 H new ATOM 0 HB2 ALA A 79 7.095 5.419 11.394 1.00 0.00 H new ATOM 0 HB3 ALA A 79 8.022 3.901 11.325 1.00 0.00 H new ATOM 1273 N ASP A 80 10.100 3.524 9.393 1.00 0.00 N ATOM 1274 CA ASP A 80 11.416 2.848 9.199 1.00 0.00 C ATOM 1275 C ASP A 80 12.083 3.412 7.946 1.00 0.00 C ATOM 1276 O ASP A 80 13.278 3.303 7.757 1.00 0.00 O ATOM 1277 CB ASP A 80 11.191 1.343 9.020 1.00 0.00 C ATOM 1278 CG ASP A 80 10.753 0.724 10.349 1.00 0.00 C ATOM 1279 OD1 ASP A 80 10.883 1.391 11.362 1.00 0.00 O ATOM 1280 OD2 ASP A 80 10.297 -0.409 10.331 1.00 0.00 O ATOM 0 H ASP A 80 9.284 2.934 9.230 1.00 0.00 H new ATOM 0 HA ASP A 80 12.053 3.020 10.067 1.00 0.00 H new ATOM 0 HB2 ASP A 80 10.431 1.167 8.258 1.00 0.00 H new ATOM 0 HB3 ASP A 80 12.108 0.868 8.671 1.00 0.00 H new ATOM 1285 N LEU A 81 11.310 4.021 7.089 1.00 0.00 N ATOM 1286 CA LEU A 81 11.873 4.611 5.837 1.00 0.00 C ATOM 1287 C LEU A 81 12.179 6.089 6.083 1.00 0.00 C ATOM 1288 O LEU A 81 12.632 6.796 5.206 1.00 0.00 O ATOM 1289 CB LEU A 81 10.848 4.473 4.706 1.00 0.00 C ATOM 1290 CG LEU A 81 10.468 2.994 4.535 1.00 0.00 C ATOM 1291 CD1 LEU A 81 9.424 2.856 3.422 1.00 0.00 C ATOM 1292 CD2 LEU A 81 11.720 2.174 4.175 1.00 0.00 C ATOM 0 H LEU A 81 10.303 4.137 7.202 1.00 0.00 H new ATOM 0 HA LEU A 81 12.788 4.090 5.555 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.960 5.064 4.932 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.262 4.863 3.776 1.00 0.00 H new ATOM 0 HG LEU A 81 10.050 2.620 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 81 9.156 1.806 3.303 1.00 0.00 H new ATOM 0 HD12 LEU A 81 8.535 3.430 3.684 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.837 3.234 2.487 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.446 1.126 4.055 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.144 2.548 3.243 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.458 2.267 4.972 1.00 0.00 H new ATOM 1304 N GLY A 82 11.940 6.558 7.277 1.00 0.00 N ATOM 1305 CA GLY A 82 12.221 7.991 7.594 1.00 0.00 C ATOM 1306 C GLY A 82 11.796 8.291 9.035 1.00 0.00 C ATOM 1307 O GLY A 82 10.787 8.954 9.210 1.00 0.00 O ATOM 1308 OXT GLY A 82 12.487 7.849 9.939 1.00 0.00 O ATOM 0 H GLY A 82 11.561 6.011 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.283 8.201 7.466 1.00 0.00 H new ATOM 0 HA3 GLY A 82 11.682 8.639 6.903 1.00 0.00 H new