USER MOD reduce.3.24.130724 H: found=0, std=0, add=828, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 1 GLY N :NH3+ -115:sc= 0.15 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00576 X(o=-0.0058,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 THR OG1 : rot -54:sc= 1.06 USER MOD Single : A 13 CYS SG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 75:sc= 1.19 USER MOD Single : A 17 THR OG1 : rot 72:sc= 0.746 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0867) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0.0671 (180deg=0.0671) USER MOD Single : A 33 TYR OH : rot -139:sc= 0.602 USER MOD Single : A 36 THR OG1 : rot -41:sc= 0.336 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 171:sc= -0.0105 (180deg=-0.0894) USER MOD Single : A 49 SER OG : rot 180:sc=-0.00583 USER MOD Single : A 50 MET CE :methyl -103:sc= -4! (180deg=-8.7!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 MET CE :methyl -146:sc= -0.276 (180deg=-3.81!) USER MOD Single : A 60 GLN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 64 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 65 HIS :FLIP no HE2:sc= -0.149 F(o=-0.9,f=-0.15) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 89:sc= 1.09 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 LYS NZ :NH3+ 173:sc= 1.08 (180deg=0.882) USER MOD Single : A 92 GLN : amide:sc= -0.0118 X(o=-0.012,f=-0.45) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.205 -9.348 18.269 1.00 0.00 N ATOM 2 CA GLY A 1 -12.716 -9.939 17.028 1.00 0.00 C ATOM 3 C GLY A 1 -11.673 -9.915 15.939 1.00 0.00 C ATOM 4 O GLY A 1 -10.576 -9.388 16.148 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.157 -10.079 19.008 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.254 -8.961 18.103 1.00 0.00 H new ATOM 0 H3 GLY A 1 -12.841 -8.585 18.577 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -13.027 -10.967 17.214 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.600 -9.393 16.700 1.00 0.00 H new ATOM 10 N HIS A 2 -12.031 -10.447 14.773 1.00 0.00 N ATOM 11 CA HIS A 2 -11.150 -10.554 13.608 1.00 0.00 C ATOM 12 C HIS A 2 -9.964 -11.474 13.820 1.00 0.00 C ATOM 13 O HIS A 2 -8.918 -11.072 14.327 1.00 0.00 O ATOM 14 CB HIS A 2 -10.712 -9.193 13.027 1.00 0.00 C ATOM 15 CG HIS A 2 -11.791 -8.488 12.268 1.00 0.00 C ATOM 16 ND1 HIS A 2 -12.317 -7.266 12.609 1.00 0.00 N ATOM 17 CD2 HIS A 2 -12.414 -8.857 11.131 1.00 0.00 C ATOM 18 CE1 HIS A 2 -13.226 -6.933 11.689 1.00 0.00 C ATOM 19 NE2 HIS A 2 -13.326 -7.870 10.760 1.00 0.00 N ATOM 0 H HIS A 2 -12.963 -10.825 14.606 1.00 0.00 H new ATOM 0 HA HIS A 2 -11.778 -11.025 12.852 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -10.375 -8.552 13.841 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -9.858 -9.347 12.368 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -12.234 -9.775 10.591 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -13.803 -6.020 11.702 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -13.940 -7.870 9.945 1.00 0.00 H new ATOM 27 N MET A 3 -10.166 -12.727 13.500 1.00 0.00 N ATOM 28 CA MET A 3 -9.095 -13.702 13.505 1.00 0.00 C ATOM 29 C MET A 3 -8.909 -14.183 12.080 1.00 0.00 C ATOM 30 O MET A 3 -8.048 -15.007 11.784 1.00 0.00 O ATOM 31 CB MET A 3 -9.409 -14.920 14.409 1.00 0.00 C ATOM 32 CG MET A 3 -9.671 -14.631 15.890 1.00 0.00 C ATOM 33 SD MET A 3 -11.242 -13.774 16.207 1.00 0.00 S ATOM 34 CE MET A 3 -11.204 -13.693 17.994 1.00 0.00 C ATOM 0 H MET A 3 -11.074 -13.104 13.229 1.00 0.00 H new ATOM 0 HA MET A 3 -8.196 -13.230 13.900 1.00 0.00 H new ATOM 0 HB2 MET A 3 -10.283 -15.429 14.002 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.574 -15.618 14.341 1.00 0.00 H new ATOM 0 HG2 MET A 3 -9.664 -15.572 16.440 1.00 0.00 H new ATOM 0 HG3 MET A 3 -8.853 -14.027 16.282 1.00 0.00 H new ATOM 0 HE1 MET A 3 -12.103 -13.193 18.355 1.00 0.00 H new ATOM 0 HE2 MET A 3 -11.162 -14.702 18.403 1.00 0.00 H new ATOM 0 HE3 MET A 3 -10.324 -13.135 18.314 1.00 0.00 H new ATOM 44 N LEU A 4 -9.730 -13.655 11.197 1.00 0.00 N ATOM 45 CA LEU A 4 -9.742 -14.053 9.821 1.00 0.00 C ATOM 46 C LEU A 4 -9.928 -12.862 8.915 1.00 0.00 C ATOM 47 O LEU A 4 -10.295 -11.769 9.374 1.00 0.00 O ATOM 48 CB LEU A 4 -10.830 -15.151 9.558 1.00 0.00 C ATOM 49 CG LEU A 4 -12.306 -14.870 10.001 1.00 0.00 C ATOM 50 CD1 LEU A 4 -12.978 -13.768 9.193 1.00 0.00 C ATOM 51 CD2 LEU A 4 -13.136 -16.138 9.935 1.00 0.00 C ATOM 0 H LEU A 4 -10.411 -12.931 11.425 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.772 -14.494 9.591 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -10.840 -15.357 8.488 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -10.504 -16.065 10.055 1.00 0.00 H new ATOM 0 HG LEU A 4 -12.250 -14.519 11.032 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -13.997 -13.624 9.551 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.419 -12.840 9.308 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -13.000 -14.050 8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -14.158 -15.921 10.247 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -13.141 -16.517 8.913 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.706 -16.889 10.598 1.00 0.00 H new ATOM 63 N ARG A 5 -9.693 -13.098 7.646 1.00 0.00 N ATOM 64 CA ARG A 5 -9.878 -12.150 6.564 1.00 0.00 C ATOM 65 C ARG A 5 -9.047 -10.864 6.708 1.00 0.00 C ATOM 66 O ARG A 5 -7.875 -10.824 6.318 1.00 0.00 O ATOM 67 CB ARG A 5 -11.383 -11.847 6.301 1.00 0.00 C ATOM 68 CG ARG A 5 -11.629 -10.926 5.116 1.00 0.00 C ATOM 69 CD ARG A 5 -11.243 -11.575 3.804 1.00 0.00 C ATOM 70 NE ARG A 5 -10.966 -10.571 2.784 1.00 0.00 N ATOM 71 CZ ARG A 5 -11.296 -10.640 1.499 1.00 0.00 C ATOM 72 NH1 ARG A 5 -12.099 -11.602 1.059 1.00 0.00 N ATOM 73 NH2 ARG A 5 -10.842 -9.716 0.661 1.00 0.00 N ATOM 0 H ARG A 5 -9.350 -14.002 7.320 1.00 0.00 H new ATOM 0 HA ARG A 5 -9.484 -12.648 5.678 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.909 -12.787 6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -11.814 -11.396 7.195 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -12.682 -10.647 5.086 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -11.059 -10.006 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.364 -12.202 3.950 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.048 -12.228 3.467 1.00 0.00 H new ATOM 0 HE ARG A 5 -10.470 -9.733 3.087 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -12.468 -12.296 1.709 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.347 -11.647 0.071 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.246 -8.963 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.089 -9.759 -0.328 1.00 0.00 H new ATOM 87 N THR A 6 -9.609 -9.868 7.332 1.00 0.00 N ATOM 88 CA THR A 6 -9.016 -8.570 7.339 1.00 0.00 C ATOM 89 C THR A 6 -8.045 -8.383 8.497 1.00 0.00 C ATOM 90 O THR A 6 -8.266 -8.912 9.594 1.00 0.00 O ATOM 91 CB THR A 6 -10.108 -7.483 7.286 1.00 0.00 C ATOM 92 OG1 THR A 6 -10.932 -7.744 6.130 1.00 0.00 O ATOM 93 CG2 THR A 6 -9.513 -6.085 7.155 1.00 0.00 C ATOM 0 H THR A 6 -10.487 -9.937 7.847 1.00 0.00 H new ATOM 0 HA THR A 6 -8.409 -8.468 6.439 1.00 0.00 H new ATOM 0 HB THR A 6 -10.681 -7.517 8.212 1.00 0.00 H new ATOM 0 HG1 THR A 6 -10.366 -7.813 5.333 1.00 0.00 H new ATOM 0 HG21 THR A 6 -10.317 -5.349 7.121 1.00 0.00 H new ATOM 0 HG22 THR A 6 -8.870 -5.881 8.012 1.00 0.00 H new ATOM 0 HG23 THR A 6 -8.926 -6.024 6.239 1.00 0.00 H new ATOM 101 N ALA A 7 -6.928 -7.674 8.196 1.00 0.00 N ATOM 102 CA ALA A 7 -5.823 -7.397 9.125 1.00 0.00 C ATOM 103 C ALA A 7 -4.964 -8.639 9.326 1.00 0.00 C ATOM 104 O ALA A 7 -4.044 -8.663 10.148 1.00 0.00 O ATOM 105 CB ALA A 7 -6.312 -6.805 10.443 1.00 0.00 C ATOM 0 H ALA A 7 -6.775 -7.271 7.271 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.191 -6.632 8.673 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.460 -6.618 11.096 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.834 -5.868 10.250 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -6.992 -7.506 10.927 1.00 0.00 H new ATOM 111 N GLY A 8 -5.268 -9.646 8.544 1.00 0.00 N ATOM 112 CA GLY A 8 -4.520 -10.865 8.533 1.00 0.00 C ATOM 113 C GLY A 8 -4.179 -11.220 7.113 1.00 0.00 C ATOM 114 O GLY A 8 -3.048 -11.030 6.671 1.00 0.00 O ATOM 0 H GLY A 8 -6.052 -9.635 7.892 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.609 -10.753 9.122 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -5.100 -11.666 8.992 1.00 0.00 H new ATOM 118 N ARG A 9 -5.172 -11.682 6.376 1.00 0.00 N ATOM 119 CA ARG A 9 -4.985 -11.991 4.973 1.00 0.00 C ATOM 120 C ARG A 9 -5.057 -10.707 4.163 1.00 0.00 C ATOM 121 O ARG A 9 -4.261 -10.498 3.221 1.00 0.00 O ATOM 122 CB ARG A 9 -6.009 -13.016 4.482 1.00 0.00 C ATOM 123 CG ARG A 9 -5.909 -13.326 2.992 1.00 0.00 C ATOM 124 CD ARG A 9 -6.813 -14.472 2.609 1.00 0.00 C ATOM 125 NE ARG A 9 -6.413 -15.726 3.263 1.00 0.00 N ATOM 126 CZ ARG A 9 -7.256 -16.711 3.622 1.00 0.00 C ATOM 127 NH1 ARG A 9 -8.561 -16.610 3.366 1.00 0.00 N ATOM 128 NH2 ARG A 9 -6.785 -17.799 4.217 1.00 0.00 N ATOM 0 H ARG A 9 -6.115 -11.851 6.726 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.002 -12.442 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -5.881 -13.941 5.045 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -7.011 -12.647 4.700 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.176 -12.441 2.415 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -4.878 -13.573 2.738 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -7.840 -14.231 2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -6.794 -14.604 1.527 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.421 -15.860 3.460 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -8.926 -15.782 2.895 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -9.194 -17.361 3.641 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.786 -17.887 4.401 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -7.422 -18.547 4.490 1.00 0.00 H new ATOM 142 N ASP A 10 -5.994 -9.823 4.527 1.00 0.00 N ATOM 143 CA ASP A 10 -6.068 -8.507 3.894 1.00 0.00 C ATOM 144 C ASP A 10 -4.966 -7.644 4.433 1.00 0.00 C ATOM 145 O ASP A 10 -5.154 -6.855 5.362 1.00 0.00 O ATOM 146 CB ASP A 10 -7.395 -7.766 4.066 1.00 0.00 C ATOM 147 CG ASP A 10 -8.598 -8.432 3.451 1.00 0.00 C ATOM 148 OD1 ASP A 10 -8.715 -8.464 2.206 1.00 0.00 O ATOM 149 OD2 ASP A 10 -9.478 -8.858 4.197 1.00 0.00 O ATOM 0 H ASP A 10 -6.699 -9.993 5.244 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.971 -8.696 2.825 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.581 -7.634 5.132 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.293 -6.770 3.634 1.00 0.00 H new ATOM 154 N GLY A 11 -3.821 -7.918 3.938 1.00 0.00 N ATOM 155 CA GLY A 11 -2.639 -7.223 4.236 1.00 0.00 C ATOM 156 C GLY A 11 -1.662 -7.568 3.176 1.00 0.00 C ATOM 157 O GLY A 11 -1.722 -7.011 2.101 1.00 0.00 O ATOM 0 H GLY A 11 -3.680 -8.680 3.275 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -2.818 -6.148 4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -2.261 -7.507 5.218 1.00 0.00 H new ATOM 161 N LEU A 12 -0.871 -8.600 3.423 1.00 0.00 N ATOM 162 CA LEU A 12 0.171 -9.061 2.489 1.00 0.00 C ATOM 163 C LEU A 12 -0.476 -9.449 1.138 1.00 0.00 C ATOM 164 O LEU A 12 -0.032 -9.017 0.069 1.00 0.00 O ATOM 165 CB LEU A 12 0.902 -10.274 3.122 1.00 0.00 C ATOM 166 CG LEU A 12 2.320 -10.646 2.604 1.00 0.00 C ATOM 167 CD1 LEU A 12 2.902 -11.747 3.462 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.306 -11.106 1.158 1.00 0.00 C ATOM 0 H LEU A 12 -0.926 -9.152 4.279 1.00 0.00 H new ATOM 0 HA LEU A 12 0.893 -8.266 2.303 1.00 0.00 H new ATOM 0 HB2 LEU A 12 0.979 -10.090 4.194 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.264 -11.148 2.994 1.00 0.00 H new ATOM 0 HG LEU A 12 2.930 -9.745 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.896 -12.006 3.097 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.972 -11.405 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.258 -12.625 3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 12 3.320 -11.354 0.845 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.672 -11.987 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.916 -10.308 0.526 1.00 0.00 H new ATOM 180 N CYS A 13 -1.539 -10.221 1.208 1.00 0.00 N ATOM 181 CA CYS A 13 -2.251 -10.681 0.023 1.00 0.00 C ATOM 182 C CYS A 13 -2.916 -9.515 -0.699 1.00 0.00 C ATOM 183 O CYS A 13 -2.867 -9.417 -1.930 1.00 0.00 O ATOM 184 CB CYS A 13 -3.279 -11.723 0.433 1.00 0.00 C ATOM 185 SG CYS A 13 -4.270 -12.416 -0.907 1.00 0.00 S ATOM 0 H CYS A 13 -1.939 -10.551 2.087 1.00 0.00 H new ATOM 0 HA CYS A 13 -1.541 -11.131 -0.671 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.761 -12.539 0.936 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -3.952 -11.274 1.163 1.00 0.00 H new ATOM 0 HG CYS A 13 -5.103 -13.290 -0.424 1.00 0.00 H new ATOM 191 N ARG A 14 -3.490 -8.604 0.068 1.00 0.00 N ATOM 192 CA ARG A 14 -4.156 -7.444 -0.499 1.00 0.00 C ATOM 193 C ARG A 14 -3.120 -6.539 -1.190 1.00 0.00 C ATOM 194 O ARG A 14 -3.373 -5.988 -2.269 1.00 0.00 O ATOM 195 CB ARG A 14 -4.952 -6.686 0.579 1.00 0.00 C ATOM 196 CG ARG A 14 -5.695 -5.478 0.045 1.00 0.00 C ATOM 197 CD ARG A 14 -6.474 -4.743 1.122 1.00 0.00 C ATOM 198 NE ARG A 14 -7.702 -5.412 1.554 1.00 0.00 N ATOM 199 CZ ARG A 14 -8.499 -4.957 2.548 1.00 0.00 C ATOM 200 NH1 ARG A 14 -8.110 -3.942 3.315 1.00 0.00 N ATOM 201 NH2 ARG A 14 -9.659 -5.536 2.791 1.00 0.00 N ATOM 0 H ARG A 14 -3.508 -8.645 1.087 1.00 0.00 H new ATOM 0 HA ARG A 14 -4.875 -7.774 -1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -5.667 -7.368 1.038 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -4.269 -6.364 1.365 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.982 -4.792 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.381 -5.797 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -5.827 -4.605 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.728 -3.749 0.753 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.973 -6.272 1.077 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.204 -3.500 3.156 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -8.717 -3.605 4.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.960 -6.332 2.228 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.255 -5.188 3.542 1.00 0.00 H new ATOM 215 N LEU A 15 -1.942 -6.439 -0.581 1.00 0.00 N ATOM 216 CA LEU A 15 -0.819 -5.706 -1.156 1.00 0.00 C ATOM 217 C LEU A 15 -0.429 -6.326 -2.477 1.00 0.00 C ATOM 218 O LEU A 15 -0.308 -5.630 -3.477 1.00 0.00 O ATOM 219 CB LEU A 15 0.396 -5.759 -0.240 1.00 0.00 C ATOM 220 CG LEU A 15 0.290 -5.104 1.118 1.00 0.00 C ATOM 221 CD1 LEU A 15 1.592 -5.238 1.871 1.00 0.00 C ATOM 222 CD2 LEU A 15 -0.097 -3.663 0.991 1.00 0.00 C ATOM 0 H LEU A 15 -1.739 -6.863 0.324 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.132 -4.670 -1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.653 -6.807 -0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.232 -5.300 -0.768 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.492 -5.615 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.499 -4.761 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.828 -6.294 2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 15 2.390 -4.756 1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.166 -3.216 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.656 -3.134 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.063 -3.588 0.491 1.00 0.00 H new ATOM 234 N SER A 16 -0.282 -7.650 -2.468 1.00 0.00 N ATOM 235 CA SER A 16 0.098 -8.422 -3.645 1.00 0.00 C ATOM 236 C SER A 16 -0.880 -8.177 -4.805 1.00 0.00 C ATOM 237 O SER A 16 -0.503 -8.225 -5.954 1.00 0.00 O ATOM 238 CB SER A 16 0.149 -9.922 -3.291 1.00 0.00 C ATOM 239 OG SER A 16 1.036 -10.170 -2.195 1.00 0.00 O ATOM 0 H SER A 16 -0.425 -8.220 -1.634 1.00 0.00 H new ATOM 0 HA SER A 16 1.087 -8.097 -3.968 1.00 0.00 H new ATOM 0 HB2 SER A 16 -0.852 -10.272 -3.038 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.475 -10.492 -4.161 1.00 0.00 H new ATOM 0 HG SER A 16 0.614 -9.878 -1.360 1.00 0.00 H new ATOM 245 N THR A 17 -2.116 -7.868 -4.475 1.00 0.00 N ATOM 246 CA THR A 17 -3.119 -7.613 -5.465 1.00 0.00 C ATOM 247 C THR A 17 -2.962 -6.184 -6.056 1.00 0.00 C ATOM 248 O THR A 17 -2.817 -6.015 -7.272 1.00 0.00 O ATOM 249 CB THR A 17 -4.516 -7.789 -4.845 1.00 0.00 C ATOM 250 OG1 THR A 17 -4.594 -9.086 -4.224 1.00 0.00 O ATOM 251 CG2 THR A 17 -5.604 -7.671 -5.903 1.00 0.00 C ATOM 0 H THR A 17 -2.445 -7.789 -3.513 1.00 0.00 H new ATOM 0 HA THR A 17 -2.997 -8.328 -6.279 1.00 0.00 H new ATOM 0 HB THR A 17 -4.670 -7.003 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 17 -4.056 -9.090 -3.405 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.581 -7.800 -5.436 1.00 0.00 H new ATOM 0 HG22 THR A 17 -5.552 -6.688 -6.371 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.460 -8.441 -6.661 1.00 0.00 H new ATOM 259 N TYR A 18 -2.934 -5.177 -5.197 1.00 0.00 N ATOM 260 CA TYR A 18 -2.890 -3.788 -5.664 1.00 0.00 C ATOM 261 C TYR A 18 -1.533 -3.361 -6.185 1.00 0.00 C ATOM 262 O TYR A 18 -1.449 -2.559 -7.107 1.00 0.00 O ATOM 263 CB TYR A 18 -3.407 -2.812 -4.608 1.00 0.00 C ATOM 264 CG TYR A 18 -4.879 -2.971 -4.338 1.00 0.00 C ATOM 265 CD1 TYR A 18 -5.817 -2.413 -5.192 1.00 0.00 C ATOM 266 CD2 TYR A 18 -5.333 -3.685 -3.246 1.00 0.00 C ATOM 267 CE1 TYR A 18 -7.163 -2.568 -4.964 1.00 0.00 C ATOM 268 CE2 TYR A 18 -6.679 -3.840 -3.010 1.00 0.00 C ATOM 269 CZ TYR A 18 -7.589 -3.281 -3.870 1.00 0.00 C ATOM 270 OH TYR A 18 -8.932 -3.449 -3.647 1.00 0.00 O ATOM 0 H TYR A 18 -2.941 -5.286 -4.183 1.00 0.00 H new ATOM 0 HA TYR A 18 -3.566 -3.754 -6.518 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -2.854 -2.961 -3.681 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -3.211 -1.791 -4.936 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.485 -1.848 -6.050 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -4.620 -4.128 -2.567 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -7.882 -2.132 -5.641 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -7.018 -4.400 -2.151 1.00 0.00 H new ATOM 0 HH TYR A 18 -9.065 -3.978 -2.833 1.00 0.00 H new ATOM 280 N LEU A 19 -0.476 -3.914 -5.643 1.00 0.00 N ATOM 281 CA LEU A 19 0.858 -3.536 -6.077 1.00 0.00 C ATOM 282 C LEU A 19 1.197 -4.081 -7.469 1.00 0.00 C ATOM 283 O LEU A 19 2.137 -3.620 -8.107 1.00 0.00 O ATOM 284 CB LEU A 19 1.921 -3.889 -5.028 1.00 0.00 C ATOM 285 CG LEU A 19 1.866 -3.071 -3.712 1.00 0.00 C ATOM 286 CD1 LEU A 19 2.885 -3.590 -2.720 1.00 0.00 C ATOM 287 CD2 LEU A 19 2.122 -1.594 -3.994 1.00 0.00 C ATOM 0 H LEU A 19 -0.506 -4.621 -4.908 1.00 0.00 H new ATOM 0 HA LEU A 19 0.864 -2.450 -6.172 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.824 -4.946 -4.781 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.906 -3.755 -5.476 1.00 0.00 H new ATOM 0 HG LEU A 19 0.871 -3.182 -3.282 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.831 -3.003 -1.803 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.674 -4.635 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.884 -3.505 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.080 -1.033 -3.061 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.107 -1.475 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.362 -1.217 -4.678 1.00 0.00 H new ATOM 299 N GLU A 20 0.396 -5.031 -7.964 1.00 0.00 N ATOM 300 CA GLU A 20 0.587 -5.537 -9.324 1.00 0.00 C ATOM 301 C GLU A 20 -0.019 -4.590 -10.338 1.00 0.00 C ATOM 302 O GLU A 20 0.229 -4.704 -11.543 1.00 0.00 O ATOM 303 CB GLU A 20 0.025 -6.941 -9.534 1.00 0.00 C ATOM 304 CG GLU A 20 0.712 -8.010 -8.727 1.00 0.00 C ATOM 305 CD GLU A 20 0.323 -9.392 -9.156 1.00 0.00 C ATOM 306 OE1 GLU A 20 -0.736 -9.888 -8.758 1.00 0.00 O ATOM 307 OE2 GLU A 20 1.082 -10.015 -9.925 1.00 0.00 O ATOM 0 H GLU A 20 -0.377 -5.457 -7.453 1.00 0.00 H new ATOM 0 HA GLU A 20 1.665 -5.599 -9.470 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.035 -6.937 -9.282 1.00 0.00 H new ATOM 0 HB3 GLU A 20 0.100 -7.195 -10.591 1.00 0.00 H new ATOM 0 HG2 GLU A 20 1.792 -7.894 -8.821 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.468 -7.878 -7.673 1.00 0.00 H new ATOM 314 N GLU A 21 -0.795 -3.642 -9.856 1.00 0.00 N ATOM 315 CA GLU A 21 -1.396 -2.652 -10.723 1.00 0.00 C ATOM 316 C GLU A 21 -0.391 -1.559 -11.021 1.00 0.00 C ATOM 317 O GLU A 21 -0.592 -0.747 -11.919 1.00 0.00 O ATOM 318 CB GLU A 21 -2.646 -2.041 -10.092 1.00 0.00 C ATOM 319 CG GLU A 21 -3.792 -3.012 -9.871 1.00 0.00 C ATOM 320 CD GLU A 21 -4.272 -3.638 -11.155 1.00 0.00 C ATOM 321 OE1 GLU A 21 -4.908 -2.943 -11.982 1.00 0.00 O ATOM 322 OE2 GLU A 21 -4.026 -4.838 -11.365 1.00 0.00 O ATOM 0 H GLU A 21 -1.024 -3.536 -8.868 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.692 -3.148 -11.648 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.373 -1.600 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.996 -1.228 -10.728 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.472 -3.797 -9.185 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -4.620 -2.489 -9.393 1.00 0.00 H new ATOM 329 N LEU A 22 0.703 -1.554 -10.280 1.00 0.00 N ATOM 330 CA LEU A 22 1.718 -0.559 -10.465 1.00 0.00 C ATOM 331 C LEU A 22 2.843 -1.060 -11.290 1.00 0.00 C ATOM 332 O LEU A 22 3.081 -2.274 -11.422 1.00 0.00 O ATOM 333 CB LEU A 22 2.256 0.008 -9.156 1.00 0.00 C ATOM 334 CG LEU A 22 1.269 0.771 -8.272 1.00 0.00 C ATOM 335 CD1 LEU A 22 1.953 1.223 -6.998 1.00 0.00 C ATOM 336 CD2 LEU A 22 0.685 1.968 -9.018 1.00 0.00 C ATOM 0 H LEU A 22 0.902 -2.234 -9.546 1.00 0.00 H new ATOM 0 HA LEU A 22 1.221 0.253 -10.995 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.666 -0.817 -8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.085 0.675 -9.391 1.00 0.00 H new ATOM 0 HG LEU A 22 0.449 0.101 -8.013 1.00 0.00 H new ATOM 0 HD11 LEU A 22 1.241 1.765 -6.376 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.321 0.353 -6.454 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.789 1.876 -7.246 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.014 2.495 -8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.490 2.643 -9.309 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.162 1.621 -9.909 1.00 0.00 H new ATOM 348 N GLU A 23 3.507 -0.124 -11.850 1.00 0.00 N ATOM 349 CA GLU A 23 4.631 -0.329 -12.680 1.00 0.00 C ATOM 350 C GLU A 23 5.865 -0.371 -11.791 1.00 0.00 C ATOM 351 O GLU A 23 5.805 0.071 -10.649 1.00 0.00 O ATOM 352 CB GLU A 23 4.705 0.872 -13.598 1.00 0.00 C ATOM 353 CG GLU A 23 5.047 0.559 -15.003 1.00 0.00 C ATOM 354 CD GLU A 23 6.436 0.000 -15.156 1.00 0.00 C ATOM 355 OE1 GLU A 23 7.393 0.781 -15.307 1.00 0.00 O ATOM 356 OE2 GLU A 23 6.602 -1.236 -15.058 1.00 0.00 O ATOM 0 H GLU A 23 3.269 0.861 -11.736 1.00 0.00 H new ATOM 0 HA GLU A 23 4.566 -1.253 -13.254 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.744 1.386 -13.579 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.447 1.567 -13.205 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.327 -0.158 -15.396 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.956 1.464 -15.604 1.00 0.00 H new ATOM 363 N ALA A 24 6.969 -0.856 -12.319 1.00 0.00 N ATOM 364 CA ALA A 24 8.220 -0.923 -11.588 1.00 0.00 C ATOM 365 C ALA A 24 8.677 0.483 -11.196 1.00 0.00 C ATOM 366 O ALA A 24 9.169 0.694 -10.093 1.00 0.00 O ATOM 367 CB ALA A 24 9.278 -1.631 -12.417 1.00 0.00 C ATOM 0 H ALA A 24 7.026 -1.217 -13.271 1.00 0.00 H new ATOM 0 HA ALA A 24 8.067 -1.498 -10.675 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.211 -1.674 -11.856 1.00 0.00 H new ATOM 0 HB2 ALA A 24 8.945 -2.643 -12.645 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.438 -1.084 -13.346 1.00 0.00 H new ATOM 373 N VAL A 25 8.464 1.453 -12.091 1.00 0.00 N ATOM 374 CA VAL A 25 8.792 2.849 -11.797 1.00 0.00 C ATOM 375 C VAL A 25 7.873 3.396 -10.684 1.00 0.00 C ATOM 376 O VAL A 25 8.302 4.141 -9.810 1.00 0.00 O ATOM 377 CB VAL A 25 8.715 3.756 -13.073 1.00 0.00 C ATOM 378 CG1 VAL A 25 7.341 3.699 -13.719 1.00 0.00 C ATOM 379 CG2 VAL A 25 9.079 5.197 -12.743 1.00 0.00 C ATOM 0 H VAL A 25 8.069 1.298 -13.018 1.00 0.00 H new ATOM 0 HA VAL A 25 9.824 2.873 -11.448 1.00 0.00 H new ATOM 0 HB VAL A 25 9.441 3.367 -13.787 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.326 4.340 -14.600 1.00 0.00 H new ATOM 0 HG12 VAL A 25 7.120 2.673 -14.013 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.590 4.043 -13.008 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.017 5.804 -13.646 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.386 5.586 -11.997 1.00 0.00 H new ATOM 0 HG23 VAL A 25 10.095 5.235 -12.349 1.00 0.00 H new ATOM 389 N GLU A 26 6.633 2.956 -10.688 1.00 0.00 N ATOM 390 CA GLU A 26 5.656 3.390 -9.708 1.00 0.00 C ATOM 391 C GLU A 26 5.988 2.767 -8.357 1.00 0.00 C ATOM 392 O GLU A 26 5.902 3.415 -7.321 1.00 0.00 O ATOM 393 CB GLU A 26 4.263 2.983 -10.157 1.00 0.00 C ATOM 394 CG GLU A 26 3.846 3.552 -11.503 1.00 0.00 C ATOM 395 CD GLU A 26 3.725 5.051 -11.519 1.00 0.00 C ATOM 396 OE1 GLU A 26 2.637 5.571 -11.205 1.00 0.00 O ATOM 397 OE2 GLU A 26 4.692 5.732 -11.887 1.00 0.00 O ATOM 0 H GLU A 26 6.272 2.288 -11.369 1.00 0.00 H new ATOM 0 HA GLU A 26 5.684 4.476 -9.613 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.213 1.895 -10.205 1.00 0.00 H new ATOM 0 HB3 GLU A 26 3.544 3.302 -9.403 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.573 3.248 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 2.889 3.117 -11.790 1.00 0.00 H new ATOM 404 N LEU A 27 6.402 1.507 -8.392 1.00 0.00 N ATOM 405 CA LEU A 27 6.838 0.787 -7.203 1.00 0.00 C ATOM 406 C LEU A 27 8.113 1.415 -6.659 1.00 0.00 C ATOM 407 O LEU A 27 8.344 1.440 -5.452 1.00 0.00 O ATOM 408 CB LEU A 27 7.060 -0.698 -7.522 1.00 0.00 C ATOM 409 CG LEU A 27 5.816 -1.491 -7.946 1.00 0.00 C ATOM 410 CD1 LEU A 27 6.204 -2.881 -8.411 1.00 0.00 C ATOM 411 CD2 LEU A 27 4.820 -1.585 -6.797 1.00 0.00 C ATOM 0 H LEU A 27 6.445 0.954 -9.248 1.00 0.00 H new ATOM 0 HA LEU A 27 6.059 0.856 -6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 27 7.801 -0.771 -8.318 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.489 -1.177 -6.642 1.00 0.00 H new ATOM 0 HG LEU A 27 5.344 -0.962 -8.774 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.309 -3.428 -8.708 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.881 -2.804 -9.262 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.701 -3.411 -7.598 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.946 -2.151 -7.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.287 -2.089 -5.951 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.514 -0.583 -6.498 1.00 0.00 H new ATOM 423 N LYS A 28 8.928 1.931 -7.569 1.00 0.00 N ATOM 424 CA LYS A 28 10.136 2.645 -7.224 1.00 0.00 C ATOM 425 C LYS A 28 9.787 3.902 -6.436 1.00 0.00 C ATOM 426 O LYS A 28 10.381 4.164 -5.397 1.00 0.00 O ATOM 427 CB LYS A 28 10.929 2.995 -8.492 1.00 0.00 C ATOM 428 CG LYS A 28 12.203 3.787 -8.255 1.00 0.00 C ATOM 429 CD LYS A 28 12.928 4.048 -9.559 1.00 0.00 C ATOM 430 CE LYS A 28 14.183 4.875 -9.345 1.00 0.00 C ATOM 431 NZ LYS A 28 14.963 5.012 -10.587 1.00 0.00 N ATOM 0 H LYS A 28 8.762 1.862 -8.573 1.00 0.00 H new ATOM 0 HA LYS A 28 10.762 2.008 -6.600 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.185 2.070 -9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.284 3.565 -9.160 1.00 0.00 H new ATOM 0 HG2 LYS A 28 11.963 4.734 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.855 3.239 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.192 3.099 -10.025 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.262 4.568 -10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 28 13.909 5.863 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.800 4.408 -8.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 15.813 5.583 -10.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 15.246 4.070 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 14.382 5.480 -11.312 1.00 0.00 H new ATOM 445 N LYS A 29 8.790 4.641 -6.919 1.00 0.00 N ATOM 446 CA LYS A 29 8.306 5.862 -6.250 1.00 0.00 C ATOM 447 C LYS A 29 7.772 5.496 -4.877 1.00 0.00 C ATOM 448 O LYS A 29 8.083 6.126 -3.872 1.00 0.00 O ATOM 449 CB LYS A 29 7.143 6.464 -7.031 1.00 0.00 C ATOM 450 CG LYS A 29 7.434 6.879 -8.460 1.00 0.00 C ATOM 451 CD LYS A 29 6.158 7.374 -9.121 1.00 0.00 C ATOM 452 CE LYS A 29 6.395 7.928 -10.514 1.00 0.00 C ATOM 453 NZ LYS A 29 7.225 9.153 -10.513 1.00 0.00 N ATOM 0 H LYS A 29 8.292 4.417 -7.781 1.00 0.00 H new ATOM 0 HA LYS A 29 9.132 6.571 -6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.329 5.739 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.783 7.338 -6.488 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.190 7.664 -8.474 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.840 6.035 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.442 6.554 -9.178 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.708 8.148 -8.499 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.881 7.167 -11.125 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.435 8.146 -10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.214 9.581 -11.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.843 9.831 -9.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.202 8.910 -10.254 1.00 0.00 H new ATOM 467 N PHE A 30 6.964 4.466 -4.876 1.00 0.00 N ATOM 468 CA PHE A 30 6.340 3.916 -3.702 1.00 0.00 C ATOM 469 C PHE A 30 7.368 3.537 -2.615 1.00 0.00 C ATOM 470 O PHE A 30 7.264 4.004 -1.484 1.00 0.00 O ATOM 471 CB PHE A 30 5.443 2.745 -4.153 1.00 0.00 C ATOM 472 CG PHE A 30 5.071 1.731 -3.126 1.00 0.00 C ATOM 473 CD1 PHE A 30 4.243 2.034 -2.061 1.00 0.00 C ATOM 474 CD2 PHE A 30 5.551 0.447 -3.248 1.00 0.00 C ATOM 475 CE1 PHE A 30 3.909 1.070 -1.145 1.00 0.00 C ATOM 476 CE2 PHE A 30 5.223 -0.518 -2.334 1.00 0.00 C ATOM 477 CZ PHE A 30 4.398 -0.204 -1.278 1.00 0.00 C ATOM 0 H PHE A 30 6.713 3.968 -5.730 1.00 0.00 H new ATOM 0 HA PHE A 30 5.716 4.666 -3.215 1.00 0.00 H new ATOM 0 HB2 PHE A 30 4.523 3.163 -4.562 1.00 0.00 H new ATOM 0 HB3 PHE A 30 5.948 2.228 -4.969 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.857 3.036 -1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 30 6.196 0.197 -4.077 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.260 1.315 -0.317 1.00 0.00 H new ATOM 0 HE2 PHE A 30 5.610 -1.521 -2.441 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.136 -0.961 -0.554 1.00 0.00 H new ATOM 487 N LYS A 31 8.388 2.756 -2.968 1.00 0.00 N ATOM 488 CA LYS A 31 9.398 2.349 -1.979 1.00 0.00 C ATOM 489 C LYS A 31 10.254 3.511 -1.540 1.00 0.00 C ATOM 490 O LYS A 31 10.778 3.525 -0.445 1.00 0.00 O ATOM 491 CB LYS A 31 10.267 1.160 -2.469 1.00 0.00 C ATOM 492 CG LYS A 31 11.125 1.367 -3.743 1.00 0.00 C ATOM 493 CD LYS A 31 12.372 2.221 -3.502 1.00 0.00 C ATOM 494 CE LYS A 31 13.140 2.469 -4.784 1.00 0.00 C ATOM 495 NZ LYS A 31 13.700 1.229 -5.350 1.00 0.00 N ATOM 0 H LYS A 31 8.540 2.396 -3.910 1.00 0.00 H new ATOM 0 HA LYS A 31 8.847 1.998 -1.107 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.937 0.878 -1.657 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.605 0.312 -2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.429 0.394 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.513 1.839 -4.512 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.080 3.175 -3.063 1.00 0.00 H new ATOM 0 HD3 LYS A 31 13.020 1.723 -2.781 1.00 0.00 H new ATOM 0 HE2 LYS A 31 12.480 2.934 -5.516 1.00 0.00 H new ATOM 0 HE3 LYS A 31 13.948 3.174 -4.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 14.216 1.449 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 14.351 0.797 -4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.928 0.564 -5.561 1.00 0.00 H new ATOM 509 N LEU A 32 10.390 4.465 -2.402 1.00 0.00 N ATOM 510 CA LEU A 32 11.153 5.629 -2.152 1.00 0.00 C ATOM 511 C LEU A 32 10.463 6.456 -1.091 1.00 0.00 C ATOM 512 O LEU A 32 11.048 6.773 -0.041 1.00 0.00 O ATOM 513 CB LEU A 32 11.187 6.410 -3.435 1.00 0.00 C ATOM 514 CG LEU A 32 11.748 7.799 -3.351 1.00 0.00 C ATOM 515 CD1 LEU A 32 13.247 7.794 -3.517 1.00 0.00 C ATOM 516 CD2 LEU A 32 11.047 8.748 -4.305 1.00 0.00 C ATOM 0 H LEU A 32 9.957 4.449 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 32 12.158 5.377 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 32 11.772 5.848 -4.163 1.00 0.00 H new ATOM 0 HB3 LEU A 32 10.171 6.474 -3.824 1.00 0.00 H new ATOM 0 HG LEU A 32 11.549 8.181 -2.350 1.00 0.00 H new ATOM 0 HD11 LEU A 32 13.624 8.815 -3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 32 13.698 7.189 -2.730 1.00 0.00 H new ATOM 0 HD13 LEU A 32 13.504 7.374 -4.490 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.482 9.743 -4.214 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.168 8.391 -5.328 1.00 0.00 H new ATOM 0 HD23 LEU A 32 9.986 8.792 -4.060 1.00 0.00 H new ATOM 528 N TYR A 33 9.190 6.719 -1.351 1.00 0.00 N ATOM 529 CA TYR A 33 8.381 7.589 -0.549 1.00 0.00 C ATOM 530 C TYR A 33 8.239 7.103 0.898 1.00 0.00 C ATOM 531 O TYR A 33 8.036 7.893 1.793 1.00 0.00 O ATOM 532 CB TYR A 33 6.988 7.779 -1.182 1.00 0.00 C ATOM 533 CG TYR A 33 6.152 8.793 -0.445 1.00 0.00 C ATOM 534 CD1 TYR A 33 6.257 10.136 -0.744 1.00 0.00 C ATOM 535 CD2 TYR A 33 5.304 8.414 0.593 1.00 0.00 C ATOM 536 CE1 TYR A 33 5.544 11.072 -0.047 1.00 0.00 C ATOM 537 CE2 TYR A 33 4.601 9.343 1.300 1.00 0.00 C ATOM 538 CZ TYR A 33 4.723 10.676 0.977 1.00 0.00 C ATOM 539 OH TYR A 33 4.028 11.620 1.693 1.00 0.00 O ATOM 0 H TYR A 33 8.692 6.318 -2.146 1.00 0.00 H new ATOM 0 HA TYR A 33 8.898 8.548 -0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.104 8.093 -2.219 1.00 0.00 H new ATOM 0 HB3 TYR A 33 6.465 6.823 -1.195 1.00 0.00 H new ATOM 0 HD1 TYR A 33 6.913 10.453 -1.541 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.202 7.368 0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.627 12.118 -0.302 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.953 9.036 2.108 1.00 0.00 H new ATOM 0 HH TYR A 33 4.040 11.383 2.644 1.00 0.00 H new ATOM 549 N LEU A 34 8.319 5.829 1.123 1.00 0.00 N ATOM 550 CA LEU A 34 8.150 5.340 2.475 1.00 0.00 C ATOM 551 C LEU A 34 9.374 4.650 3.027 1.00 0.00 C ATOM 552 O LEU A 34 9.531 4.507 4.242 1.00 0.00 O ATOM 553 CB LEU A 34 6.896 4.473 2.567 1.00 0.00 C ATOM 554 CG LEU A 34 6.714 3.387 1.501 1.00 0.00 C ATOM 555 CD1 LEU A 34 7.637 2.191 1.697 1.00 0.00 C ATOM 556 CD2 LEU A 34 5.280 2.967 1.445 1.00 0.00 C ATOM 0 H LEU A 34 8.495 5.116 0.415 1.00 0.00 H new ATOM 0 HA LEU A 34 8.015 6.210 3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 34 6.890 3.991 3.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.028 5.131 2.531 1.00 0.00 H new ATOM 0 HG LEU A 34 6.999 3.822 0.543 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.457 1.460 0.909 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.675 2.522 1.655 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.440 1.735 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.156 2.195 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.978 2.573 2.415 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.659 3.826 1.193 1.00 0.00 H new ATOM 568 N GLY A 35 10.248 4.255 2.157 1.00 0.00 N ATOM 569 CA GLY A 35 11.380 3.512 2.573 1.00 0.00 C ATOM 570 C GLY A 35 12.520 4.367 3.002 1.00 0.00 C ATOM 571 O GLY A 35 13.203 4.041 3.959 1.00 0.00 O ATOM 0 H GLY A 35 10.194 4.438 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 35 11.094 2.859 3.398 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.705 2.869 1.755 1.00 0.00 H new ATOM 575 N THR A 36 12.723 5.463 2.320 1.00 0.00 N ATOM 576 CA THR A 36 13.845 6.319 2.643 1.00 0.00 C ATOM 577 C THR A 36 13.371 7.767 2.937 1.00 0.00 C ATOM 578 O THR A 36 14.150 8.731 2.920 1.00 0.00 O ATOM 579 CB THR A 36 14.932 6.259 1.508 1.00 0.00 C ATOM 580 OG1 THR A 36 16.139 6.925 1.914 1.00 0.00 O ATOM 581 CG2 THR A 36 14.424 6.873 0.203 1.00 0.00 C ATOM 0 H THR A 36 12.139 5.785 1.548 1.00 0.00 H new ATOM 0 HA THR A 36 14.315 5.952 3.555 1.00 0.00 H new ATOM 0 HB THR A 36 15.146 5.205 1.332 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.913 7.753 2.386 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.204 6.812 -0.556 1.00 0.00 H new ATOM 0 HG22 THR A 36 13.544 6.328 -0.137 1.00 0.00 H new ATOM 0 HG23 THR A 36 14.161 7.918 0.370 1.00 0.00 H new ATOM 589 N ALA A 37 12.112 7.906 3.268 1.00 0.00 N ATOM 590 CA ALA A 37 11.551 9.210 3.577 1.00 0.00 C ATOM 591 C ALA A 37 11.831 9.593 5.014 1.00 0.00 C ATOM 592 O ALA A 37 11.944 8.729 5.887 1.00 0.00 O ATOM 593 CB ALA A 37 10.077 9.208 3.351 1.00 0.00 C ATOM 0 H ALA A 37 11.449 7.133 3.332 1.00 0.00 H new ATOM 0 HA ALA A 37 12.022 9.938 2.917 1.00 0.00 H new ATOM 0 HB1 ALA A 37 9.671 10.192 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 37 9.869 8.970 2.308 1.00 0.00 H new ATOM 0 HB3 ALA A 37 9.611 8.460 3.993 1.00 0.00 H new ATOM 599 N THR A 38 11.889 10.880 5.275 1.00 0.00 N ATOM 600 CA THR A 38 12.166 11.353 6.598 1.00 0.00 C ATOM 601 C THR A 38 10.868 11.362 7.429 1.00 0.00 C ATOM 602 O THR A 38 10.904 11.394 8.645 1.00 0.00 O ATOM 603 CB THR A 38 12.869 12.751 6.584 1.00 0.00 C ATOM 604 OG1 THR A 38 13.632 12.942 7.793 1.00 0.00 O ATOM 605 CG2 THR A 38 11.848 13.849 6.485 1.00 0.00 C ATOM 0 H THR A 38 11.746 11.614 4.581 1.00 0.00 H new ATOM 0 HA THR A 38 12.871 10.669 7.071 1.00 0.00 H new ATOM 0 HB THR A 38 13.532 12.784 5.720 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.067 13.820 7.770 1.00 0.00 H new ATOM 0 HG21 THR A 38 12.352 14.815 6.476 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.275 13.731 5.566 1.00 0.00 H new ATOM 0 HG23 THR A 38 11.175 13.799 7.341 1.00 0.00 H new ATOM 613 N GLU A 39 9.719 11.254 6.745 1.00 0.00 N ATOM 614 CA GLU A 39 8.411 11.238 7.426 1.00 0.00 C ATOM 615 C GLU A 39 8.117 9.865 8.032 1.00 0.00 C ATOM 616 O GLU A 39 7.079 9.648 8.644 1.00 0.00 O ATOM 617 CB GLU A 39 7.273 11.711 6.500 1.00 0.00 C ATOM 618 CG GLU A 39 7.073 10.896 5.226 1.00 0.00 C ATOM 619 CD GLU A 39 5.998 11.482 4.336 1.00 0.00 C ATOM 620 OE1 GLU A 39 6.308 12.389 3.541 1.00 0.00 O ATOM 621 OE2 GLU A 39 4.810 11.065 4.425 1.00 0.00 O ATOM 0 H GLU A 39 9.666 11.177 5.729 1.00 0.00 H new ATOM 0 HA GLU A 39 8.465 11.953 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.341 11.701 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.464 12.747 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.013 10.849 4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.806 9.872 5.489 1.00 0.00 H new ATOM 628 N LEU A 40 9.043 8.948 7.818 1.00 0.00 N ATOM 629 CA LEU A 40 9.021 7.625 8.427 1.00 0.00 C ATOM 630 C LEU A 40 10.148 7.542 9.428 1.00 0.00 C ATOM 631 O LEU A 40 10.612 6.454 9.820 1.00 0.00 O ATOM 632 CB LEU A 40 9.201 6.533 7.391 1.00 0.00 C ATOM 633 CG LEU A 40 7.945 6.033 6.650 1.00 0.00 C ATOM 634 CD1 LEU A 40 6.882 5.552 7.627 1.00 0.00 C ATOM 635 CD2 LEU A 40 7.379 7.074 5.700 1.00 0.00 C ATOM 0 H LEU A 40 9.845 9.101 7.207 1.00 0.00 H new ATOM 0 HA LEU A 40 8.054 7.479 8.909 1.00 0.00 H new ATOM 0 HB2 LEU A 40 9.910 6.892 6.645 1.00 0.00 H new ATOM 0 HB3 LEU A 40 9.663 5.677 7.883 1.00 0.00 H new ATOM 0 HG LEU A 40 8.259 5.185 6.042 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.009 5.206 7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 40 7.281 4.732 8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 40 6.593 6.373 8.284 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.496 6.672 5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.105 7.967 6.261 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.130 7.331 4.953 1.00 0.00 H new ATOM 647 N GLY A 41 10.598 8.699 9.791 1.00 0.00 N ATOM 648 CA GLY A 41 11.655 8.875 10.723 1.00 0.00 C ATOM 649 C GLY A 41 12.970 8.611 10.075 1.00 0.00 C ATOM 650 O GLY A 41 13.609 9.511 9.518 1.00 0.00 O ATOM 0 H GLY A 41 10.223 9.577 9.431 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.635 9.891 11.118 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.518 8.202 11.569 1.00 0.00 H new ATOM 654 N GLU A 42 13.347 7.389 10.093 1.00 0.00 N ATOM 655 CA GLU A 42 14.596 6.976 9.517 1.00 0.00 C ATOM 656 C GLU A 42 14.347 6.328 8.185 1.00 0.00 C ATOM 657 O GLU A 42 15.177 6.380 7.286 1.00 0.00 O ATOM 658 CB GLU A 42 15.282 5.956 10.404 1.00 0.00 C ATOM 659 CG GLU A 42 15.504 6.397 11.824 1.00 0.00 C ATOM 660 CD GLU A 42 16.245 5.363 12.609 1.00 0.00 C ATOM 661 OE1 GLU A 42 15.608 4.434 13.139 1.00 0.00 O ATOM 662 OE2 GLU A 42 17.489 5.470 12.721 1.00 0.00 O ATOM 0 H GLU A 42 12.804 6.632 10.507 1.00 0.00 H new ATOM 0 HA GLU A 42 15.226 7.859 9.409 1.00 0.00 H new ATOM 0 HB2 GLU A 42 14.686 5.044 10.412 1.00 0.00 H new ATOM 0 HB3 GLU A 42 16.246 5.703 9.963 1.00 0.00 H new ATOM 0 HG2 GLU A 42 16.064 7.332 11.832 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.543 6.596 12.299 1.00 0.00 H new ATOM 669 N GLY A 43 13.183 5.750 8.054 1.00 0.00 N ATOM 670 CA GLY A 43 12.904 4.938 6.924 1.00 0.00 C ATOM 671 C GLY A 43 13.183 3.515 7.309 1.00 0.00 C ATOM 672 O GLY A 43 14.325 3.153 7.598 1.00 0.00 O ATOM 0 H GLY A 43 12.418 5.833 8.723 1.00 0.00 H new ATOM 0 HA2 GLY A 43 11.865 5.055 6.616 1.00 0.00 H new ATOM 0 HA3 GLY A 43 13.523 5.234 6.077 1.00 0.00 H new ATOM 676 N LYS A 44 12.153 2.712 7.365 1.00 0.00 N ATOM 677 CA LYS A 44 12.290 1.342 7.857 1.00 0.00 C ATOM 678 C LYS A 44 12.796 0.393 6.789 1.00 0.00 C ATOM 679 O LYS A 44 13.144 -0.745 7.079 1.00 0.00 O ATOM 680 CB LYS A 44 10.962 0.846 8.448 1.00 0.00 C ATOM 681 CG LYS A 44 10.473 1.662 9.643 1.00 0.00 C ATOM 682 CD LYS A 44 11.457 1.593 10.809 1.00 0.00 C ATOM 683 CE LYS A 44 11.007 2.456 11.981 1.00 0.00 C ATOM 684 NZ LYS A 44 9.692 2.057 12.517 1.00 0.00 N ATOM 0 H LYS A 44 11.208 2.970 7.080 1.00 0.00 H new ATOM 0 HA LYS A 44 13.041 1.357 8.647 1.00 0.00 H new ATOM 0 HB2 LYS A 44 10.199 0.867 7.670 1.00 0.00 H new ATOM 0 HB3 LYS A 44 11.077 -0.194 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.335 2.701 9.343 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.500 1.291 9.964 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.559 0.559 11.137 1.00 0.00 H new ATOM 0 HD3 LYS A 44 12.441 1.920 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 44 11.751 2.397 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.963 3.498 11.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 9.506 2.573 13.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 8.951 2.282 11.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 9.690 1.034 12.707 1.00 0.00 H new ATOM 698 N ILE A 45 12.865 0.866 5.586 1.00 0.00 N ATOM 699 CA ILE A 45 13.287 0.055 4.480 1.00 0.00 C ATOM 700 C ILE A 45 14.769 0.292 4.238 1.00 0.00 C ATOM 701 O ILE A 45 15.264 1.405 4.485 1.00 0.00 O ATOM 702 CB ILE A 45 12.462 0.407 3.199 1.00 0.00 C ATOM 703 CG1 ILE A 45 10.956 0.184 3.444 1.00 0.00 C ATOM 704 CG2 ILE A 45 12.934 -0.356 1.952 1.00 0.00 C ATOM 705 CD1 ILE A 45 10.603 -1.213 3.894 1.00 0.00 C ATOM 0 H ILE A 45 12.631 1.827 5.338 1.00 0.00 H new ATOM 0 HA ILE A 45 13.117 -0.997 4.711 1.00 0.00 H new ATOM 0 HB ILE A 45 12.635 1.464 2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 45 10.613 0.894 4.197 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.413 0.406 2.525 1.00 0.00 H new ATOM 0 HG21 ILE A 45 12.323 -0.069 1.097 1.00 0.00 H new ATOM 0 HG22 ILE A 45 13.977 -0.113 1.750 1.00 0.00 H new ATOM 0 HG23 ILE A 45 12.837 -1.428 2.123 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.526 -1.286 4.044 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.913 -1.929 3.133 1.00 0.00 H new ATOM 0 HD13 ILE A 45 11.115 -1.434 4.830 1.00 0.00 H new ATOM 717 N PRO A 46 15.529 -0.770 3.884 1.00 0.00 N ATOM 718 CA PRO A 46 16.921 -0.641 3.474 1.00 0.00 C ATOM 719 C PRO A 46 17.114 0.423 2.377 1.00 0.00 C ATOM 720 O PRO A 46 16.155 0.873 1.733 1.00 0.00 O ATOM 721 CB PRO A 46 17.286 -2.004 2.919 1.00 0.00 C ATOM 722 CG PRO A 46 16.217 -2.954 3.325 1.00 0.00 C ATOM 723 CD PRO A 46 15.103 -2.176 3.961 1.00 0.00 C ATOM 0 HA PRO A 46 17.542 -0.328 4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 46 17.372 -1.965 1.833 1.00 0.00 H new ATOM 0 HB3 PRO A 46 18.253 -2.328 3.304 1.00 0.00 H new ATOM 0 HG2 PRO A 46 15.849 -3.502 2.458 1.00 0.00 H new ATOM 0 HG3 PRO A 46 16.611 -3.691 4.024 1.00 0.00 H new ATOM 0 HD2 PRO A 46 14.161 -2.333 3.435 1.00 0.00 H new ATOM 0 HD3 PRO A 46 14.946 -2.485 4.994 1.00 0.00 H new ATOM 731 N TRP A 47 18.342 0.738 2.115 1.00 0.00 N ATOM 732 CA TRP A 47 18.692 1.827 1.244 1.00 0.00 C ATOM 733 C TRP A 47 18.534 1.465 -0.228 1.00 0.00 C ATOM 734 O TRP A 47 18.294 2.348 -1.070 1.00 0.00 O ATOM 735 CB TRP A 47 20.120 2.285 1.555 1.00 0.00 C ATOM 736 CG TRP A 47 20.296 2.749 2.980 1.00 0.00 C ATOM 737 CD1 TRP A 47 20.224 4.033 3.442 1.00 0.00 C ATOM 738 CD2 TRP A 47 20.561 1.927 4.132 1.00 0.00 C ATOM 739 NE1 TRP A 47 20.437 4.057 4.799 1.00 0.00 N ATOM 740 CE2 TRP A 47 20.642 2.781 5.245 1.00 0.00 C ATOM 741 CE3 TRP A 47 20.736 0.551 4.324 1.00 0.00 C ATOM 742 CZ2 TRP A 47 20.892 2.307 6.528 1.00 0.00 C ATOM 743 CZ3 TRP A 47 20.982 0.086 5.595 1.00 0.00 C ATOM 744 CH2 TRP A 47 21.057 0.963 6.682 1.00 0.00 C ATOM 0 H TRP A 47 19.145 0.243 2.503 1.00 0.00 H new ATOM 0 HA TRP A 47 18.001 2.649 1.429 1.00 0.00 H new ATOM 0 HB2 TRP A 47 20.809 1.464 1.359 1.00 0.00 H new ATOM 0 HB3 TRP A 47 20.390 3.096 0.879 1.00 0.00 H new ATOM 0 HD1 TRP A 47 20.028 4.901 2.830 1.00 0.00 H new ATOM 0 HE1 TRP A 47 20.441 4.894 5.382 1.00 0.00 H new ATOM 0 HE3 TRP A 47 20.679 -0.132 3.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 20.953 2.979 7.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 21.119 -0.973 5.756 1.00 0.00 H new ATOM 0 HH2 TRP A 47 21.250 0.565 7.667 1.00 0.00 H new ATOM 755 N GLY A 48 18.638 0.192 -0.549 1.00 0.00 N ATOM 756 CA GLY A 48 18.521 -0.210 -1.924 1.00 0.00 C ATOM 757 C GLY A 48 18.275 -1.685 -2.107 1.00 0.00 C ATOM 758 O GLY A 48 18.814 -2.291 -3.020 1.00 0.00 O ATOM 0 H GLY A 48 18.800 -0.566 0.114 1.00 0.00 H new ATOM 0 HA2 GLY A 48 17.705 0.345 -2.387 1.00 0.00 H new ATOM 0 HA3 GLY A 48 19.434 0.065 -2.452 1.00 0.00 H new ATOM 762 N SER A 49 17.451 -2.279 -1.268 1.00 0.00 N ATOM 763 CA SER A 49 17.158 -3.678 -1.420 1.00 0.00 C ATOM 764 C SER A 49 15.958 -3.864 -2.299 1.00 0.00 C ATOM 765 O SER A 49 15.738 -4.929 -2.885 1.00 0.00 O ATOM 766 CB SER A 49 16.941 -4.309 -0.061 1.00 0.00 C ATOM 767 OG SER A 49 18.103 -4.140 0.736 1.00 0.00 O ATOM 0 H SER A 49 16.982 -1.819 -0.488 1.00 0.00 H new ATOM 0 HA SER A 49 18.004 -4.173 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 49 16.082 -3.852 0.430 1.00 0.00 H new ATOM 0 HB3 SER A 49 16.717 -5.370 -0.174 1.00 0.00 H new ATOM 0 HG SER A 49 17.959 -4.548 1.615 1.00 0.00 H new ATOM 773 N MET A 50 15.214 -2.799 -2.455 1.00 0.00 N ATOM 774 CA MET A 50 13.935 -2.874 -3.090 1.00 0.00 C ATOM 775 C MET A 50 13.957 -2.192 -4.422 1.00 0.00 C ATOM 776 O MET A 50 12.968 -1.616 -4.886 1.00 0.00 O ATOM 777 CB MET A 50 12.927 -2.266 -2.173 1.00 0.00 C ATOM 778 CG MET A 50 13.079 -2.814 -0.776 1.00 0.00 C ATOM 779 SD MET A 50 13.280 -4.639 -0.694 1.00 0.00 S ATOM 780 CE MET A 50 11.750 -5.266 -1.392 1.00 0.00 C ATOM 0 H MET A 50 15.480 -1.864 -2.146 1.00 0.00 H new ATOM 0 HA MET A 50 13.670 -3.914 -3.281 1.00 0.00 H new ATOM 0 HB2 MET A 50 13.047 -1.183 -2.159 1.00 0.00 H new ATOM 0 HB3 MET A 50 11.922 -2.471 -2.542 1.00 0.00 H new ATOM 0 HG2 MET A 50 13.943 -2.344 -0.307 1.00 0.00 H new ATOM 0 HG3 MET A 50 12.205 -2.530 -0.190 1.00 0.00 H new ATOM 0 HE1 MET A 50 11.100 -5.614 -0.589 1.00 0.00 H new ATOM 0 HE2 MET A 50 11.250 -4.471 -1.945 1.00 0.00 H new ATOM 0 HE3 MET A 50 11.970 -6.094 -2.066 1.00 0.00 H new ATOM 790 N GLU A 51 15.092 -2.262 -5.033 1.00 0.00 N ATOM 791 CA GLU A 51 15.289 -1.717 -6.354 1.00 0.00 C ATOM 792 C GLU A 51 14.689 -2.643 -7.397 1.00 0.00 C ATOM 793 O GLU A 51 13.837 -2.248 -8.173 1.00 0.00 O ATOM 794 CB GLU A 51 16.776 -1.491 -6.632 1.00 0.00 C ATOM 795 CG GLU A 51 17.459 -0.583 -5.622 1.00 0.00 C ATOM 796 CD GLU A 51 16.619 0.618 -5.313 1.00 0.00 C ATOM 797 OE1 GLU A 51 16.457 1.491 -6.176 1.00 0.00 O ATOM 798 OE2 GLU A 51 16.024 0.666 -4.221 1.00 0.00 O ATOM 0 H GLU A 51 15.922 -2.701 -4.635 1.00 0.00 H new ATOM 0 HA GLU A 51 14.783 -0.753 -6.408 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.285 -2.455 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 51 16.889 -1.061 -7.627 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.654 -1.138 -4.705 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.425 -0.263 -6.013 1.00 0.00 H new ATOM 805 N LYS A 52 15.098 -3.893 -7.346 1.00 0.00 N ATOM 806 CA LYS A 52 14.647 -4.916 -8.290 1.00 0.00 C ATOM 807 C LYS A 52 13.442 -5.659 -7.708 1.00 0.00 C ATOM 808 O LYS A 52 13.087 -6.758 -8.141 1.00 0.00 O ATOM 809 CB LYS A 52 15.803 -5.892 -8.551 1.00 0.00 C ATOM 810 CG LYS A 52 17.067 -5.199 -9.044 1.00 0.00 C ATOM 811 CD LYS A 52 18.248 -6.148 -9.213 1.00 0.00 C ATOM 812 CE LYS A 52 18.016 -7.166 -10.315 1.00 0.00 C ATOM 813 NZ LYS A 52 19.199 -8.023 -10.521 1.00 0.00 N ATOM 0 H LYS A 52 15.756 -4.239 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 52 14.346 -4.452 -9.230 1.00 0.00 H new ATOM 0 HB2 LYS A 52 16.027 -6.435 -7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 52 15.489 -6.630 -9.289 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.859 -4.715 -9.998 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.340 -4.412 -8.341 1.00 0.00 H new ATOM 0 HD2 LYS A 52 19.145 -5.571 -9.437 1.00 0.00 H new ATOM 0 HD3 LYS A 52 18.430 -6.669 -8.273 1.00 0.00 H new ATOM 0 HE2 LYS A 52 17.156 -7.786 -10.063 1.00 0.00 H new ATOM 0 HE3 LYS A 52 17.774 -6.649 -11.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 19.005 -8.706 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.013 -7.433 -10.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 19.414 -8.535 -9.642 1.00 0.00 H new ATOM 827 N ALA A 53 12.795 -5.019 -6.767 1.00 0.00 N ATOM 828 CA ALA A 53 11.688 -5.597 -6.058 1.00 0.00 C ATOM 829 C ALA A 53 10.395 -5.293 -6.762 1.00 0.00 C ATOM 830 O ALA A 53 10.145 -4.158 -7.161 1.00 0.00 O ATOM 831 CB ALA A 53 11.644 -5.070 -4.644 1.00 0.00 C ATOM 0 H ALA A 53 13.027 -4.071 -6.470 1.00 0.00 H new ATOM 0 HA ALA A 53 11.822 -6.678 -6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 53 10.801 -5.515 -4.116 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.570 -5.328 -4.131 1.00 0.00 H new ATOM 0 HB3 ALA A 53 11.529 -3.986 -4.663 1.00 0.00 H new ATOM 837 N GLY A 54 9.588 -6.300 -6.898 1.00 0.00 N ATOM 838 CA GLY A 54 8.329 -6.167 -7.530 1.00 0.00 C ATOM 839 C GLY A 54 7.226 -6.312 -6.518 1.00 0.00 C ATOM 840 O GLY A 54 7.501 -6.296 -5.315 1.00 0.00 O ATOM 0 H GLY A 54 9.795 -7.243 -6.567 1.00 0.00 H new ATOM 0 HA2 GLY A 54 8.259 -5.195 -8.019 1.00 0.00 H new ATOM 0 HA3 GLY A 54 8.222 -6.923 -8.308 1.00 0.00 H new ATOM 844 N PRO A 55 5.989 -6.525 -6.971 1.00 0.00 N ATOM 845 CA PRO A 55 4.790 -6.599 -6.110 1.00 0.00 C ATOM 846 C PRO A 55 4.928 -7.584 -4.946 1.00 0.00 C ATOM 847 O PRO A 55 4.577 -7.263 -3.811 1.00 0.00 O ATOM 848 CB PRO A 55 3.700 -7.076 -7.066 1.00 0.00 C ATOM 849 CG PRO A 55 4.160 -6.634 -8.410 1.00 0.00 C ATOM 850 CD PRO A 55 5.654 -6.720 -8.386 1.00 0.00 C ATOM 0 HA PRO A 55 4.591 -5.639 -5.634 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.582 -8.159 -7.024 1.00 0.00 H new ATOM 0 HB3 PRO A 55 2.733 -6.640 -6.815 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.746 -7.270 -9.192 1.00 0.00 H new ATOM 0 HG3 PRO A 55 3.831 -5.616 -8.619 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.006 -7.685 -8.752 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.110 -5.955 -9.015 1.00 0.00 H new ATOM 858 N LEU A 56 5.489 -8.746 -5.225 1.00 0.00 N ATOM 859 CA LEU A 56 5.619 -9.800 -4.217 1.00 0.00 C ATOM 860 C LEU A 56 6.628 -9.407 -3.157 1.00 0.00 C ATOM 861 O LEU A 56 6.339 -9.454 -1.957 1.00 0.00 O ATOM 862 CB LEU A 56 6.023 -11.124 -4.866 1.00 0.00 C ATOM 863 CG LEU A 56 5.096 -11.646 -5.967 1.00 0.00 C ATOM 864 CD1 LEU A 56 5.573 -12.995 -6.462 1.00 0.00 C ATOM 865 CD2 LEU A 56 3.662 -11.741 -5.477 1.00 0.00 C ATOM 0 H LEU A 56 5.865 -8.991 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 56 4.648 -9.931 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.023 -11.009 -5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.090 -11.882 -4.086 1.00 0.00 H new ATOM 0 HG LEU A 56 5.124 -10.937 -6.794 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.904 -13.353 -7.244 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.582 -12.899 -6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.577 -13.705 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.027 -12.115 -6.280 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.612 -12.423 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.316 -10.754 -5.170 1.00 0.00 H new ATOM 877 N GLU A 57 7.798 -8.979 -3.609 1.00 0.00 N ATOM 878 CA GLU A 57 8.855 -8.535 -2.716 1.00 0.00 C ATOM 879 C GLU A 57 8.397 -7.350 -1.877 1.00 0.00 C ATOM 880 O GLU A 57 8.706 -7.266 -0.690 1.00 0.00 O ATOM 881 CB GLU A 57 10.115 -8.173 -3.499 1.00 0.00 C ATOM 882 CG GLU A 57 10.839 -9.360 -4.108 1.00 0.00 C ATOM 883 CD GLU A 57 11.275 -10.359 -3.072 1.00 0.00 C ATOM 884 OE1 GLU A 57 12.044 -9.998 -2.162 1.00 0.00 O ATOM 885 OE2 GLU A 57 10.834 -11.525 -3.127 1.00 0.00 O ATOM 0 H GLU A 57 8.039 -8.930 -4.599 1.00 0.00 H new ATOM 0 HA GLU A 57 9.091 -9.361 -2.045 1.00 0.00 H new ATOM 0 HB2 GLU A 57 9.846 -7.480 -4.296 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.801 -7.646 -2.836 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.185 -9.850 -4.829 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.711 -9.007 -4.658 1.00 0.00 H new ATOM 892 N MET A 58 7.640 -6.462 -2.496 1.00 0.00 N ATOM 893 CA MET A 58 7.109 -5.279 -1.830 1.00 0.00 C ATOM 894 C MET A 58 6.078 -5.648 -0.783 1.00 0.00 C ATOM 895 O MET A 58 6.156 -5.186 0.332 1.00 0.00 O ATOM 896 CB MET A 58 6.514 -4.308 -2.840 1.00 0.00 C ATOM 897 CG MET A 58 7.546 -3.671 -3.753 1.00 0.00 C ATOM 898 SD MET A 58 8.589 -2.459 -2.954 1.00 0.00 S ATOM 899 CE MET A 58 9.537 -1.914 -4.370 1.00 0.00 C ATOM 0 H MET A 58 7.374 -6.538 -3.478 1.00 0.00 H new ATOM 0 HA MET A 58 7.941 -4.788 -1.325 1.00 0.00 H new ATOM 0 HB2 MET A 58 5.779 -4.835 -3.448 1.00 0.00 H new ATOM 0 HB3 MET A 58 5.980 -3.522 -2.305 1.00 0.00 H new ATOM 0 HG2 MET A 58 8.176 -4.455 -4.172 1.00 0.00 H new ATOM 0 HG3 MET A 58 7.031 -3.196 -4.588 1.00 0.00 H new ATOM 0 HE1 MET A 58 10.551 -1.667 -4.056 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.571 -2.710 -5.113 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.067 -1.032 -4.805 1.00 0.00 H new ATOM 909 N ALA A 59 5.144 -6.515 -1.125 1.00 0.00 N ATOM 910 CA ALA A 59 4.099 -6.915 -0.182 1.00 0.00 C ATOM 911 C ALA A 59 4.700 -7.502 1.096 1.00 0.00 C ATOM 912 O ALA A 59 4.239 -7.223 2.206 1.00 0.00 O ATOM 913 CB ALA A 59 3.144 -7.901 -0.821 1.00 0.00 C ATOM 0 H ALA A 59 5.081 -6.958 -2.042 1.00 0.00 H new ATOM 0 HA ALA A 59 3.539 -6.020 0.089 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.376 -8.183 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.674 -7.441 -1.690 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.693 -8.789 -1.133 1.00 0.00 H new ATOM 919 N GLN A 60 5.757 -8.269 0.936 1.00 0.00 N ATOM 920 CA GLN A 60 6.432 -8.858 2.071 1.00 0.00 C ATOM 921 C GLN A 60 7.292 -7.812 2.781 1.00 0.00 C ATOM 922 O GLN A 60 7.445 -7.848 3.994 1.00 0.00 O ATOM 923 CB GLN A 60 7.284 -10.039 1.640 1.00 0.00 C ATOM 924 CG GLN A 60 6.511 -11.097 0.879 1.00 0.00 C ATOM 925 CD GLN A 60 7.366 -12.292 0.479 1.00 0.00 C ATOM 926 OE1 GLN A 60 8.346 -12.628 1.289 1.00 0.00 O flip ATOM 927 NE2 GLN A 60 7.135 -12.919 -0.556 1.00 0.00 N flip ATOM 0 H GLN A 60 6.167 -8.499 0.031 1.00 0.00 H new ATOM 0 HA GLN A 60 5.675 -9.220 2.767 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.101 -9.678 1.016 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.734 -10.494 2.523 1.00 0.00 H new ATOM 0 HG2 GLN A 60 5.679 -11.443 1.493 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.081 -10.650 -0.017 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.367 -12.634 -1.164 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.711 -13.723 -0.805 1.00 0.00 H new ATOM 936 N LEU A 61 7.815 -6.877 2.010 1.00 0.00 N ATOM 937 CA LEU A 61 8.662 -5.785 2.503 1.00 0.00 C ATOM 938 C LEU A 61 7.909 -4.993 3.565 1.00 0.00 C ATOM 939 O LEU A 61 8.326 -4.921 4.735 1.00 0.00 O ATOM 940 CB LEU A 61 8.996 -4.851 1.331 1.00 0.00 C ATOM 941 CG LEU A 61 9.948 -3.693 1.585 1.00 0.00 C ATOM 942 CD1 LEU A 61 11.369 -4.193 1.806 1.00 0.00 C ATOM 943 CD2 LEU A 61 9.890 -2.710 0.417 1.00 0.00 C ATOM 0 H LEU A 61 7.665 -6.847 1.002 1.00 0.00 H new ATOM 0 HA LEU A 61 9.575 -6.196 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.417 -5.459 0.530 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.059 -4.437 0.958 1.00 0.00 H new ATOM 0 HG LEU A 61 9.637 -3.177 2.493 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.029 -3.345 1.985 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.390 -4.858 2.669 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.706 -4.734 0.922 1.00 0.00 H new ATOM 0 HD21 LEU A 61 10.574 -1.882 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 61 10.180 -3.219 -0.502 1.00 0.00 H new ATOM 0 HD23 LEU A 61 8.875 -2.326 0.315 1.00 0.00 H new ATOM 955 N LEU A 62 6.766 -4.450 3.170 1.00 0.00 N ATOM 956 CA LEU A 62 5.976 -3.643 4.059 1.00 0.00 C ATOM 957 C LEU A 62 5.452 -4.462 5.236 1.00 0.00 C ATOM 958 O LEU A 62 5.440 -3.987 6.374 1.00 0.00 O ATOM 959 CB LEU A 62 4.796 -2.929 3.346 1.00 0.00 C ATOM 960 CG LEU A 62 5.104 -1.836 2.300 1.00 0.00 C ATOM 961 CD1 LEU A 62 6.016 -0.782 2.840 1.00 0.00 C ATOM 962 CD2 LEU A 62 5.644 -2.410 1.036 1.00 0.00 C ATOM 0 H LEU A 62 6.373 -4.560 2.235 1.00 0.00 H new ATOM 0 HA LEU A 62 6.647 -2.869 4.431 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.197 -3.695 2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 62 4.169 -2.480 4.116 1.00 0.00 H new ATOM 0 HG LEU A 62 4.153 -1.358 2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.205 -0.035 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.550 -0.305 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.959 -1.237 3.143 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.847 -1.606 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.568 -2.949 1.247 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.914 -3.096 0.607 1.00 0.00 H new ATOM 974 N ILE A 63 5.061 -5.701 4.975 1.00 0.00 N ATOM 975 CA ILE A 63 4.473 -6.537 6.011 1.00 0.00 C ATOM 976 C ILE A 63 5.527 -6.918 7.089 1.00 0.00 C ATOM 977 O ILE A 63 5.204 -7.023 8.275 1.00 0.00 O ATOM 978 CB ILE A 63 3.771 -7.805 5.371 1.00 0.00 C ATOM 979 CG1 ILE A 63 2.465 -8.168 6.109 1.00 0.00 C ATOM 980 CG2 ILE A 63 4.700 -9.021 5.299 1.00 0.00 C ATOM 981 CD1 ILE A 63 2.630 -8.690 7.518 1.00 0.00 C ATOM 0 H ILE A 63 5.139 -6.147 4.061 1.00 0.00 H new ATOM 0 HA ILE A 63 3.699 -5.966 6.523 1.00 0.00 H new ATOM 0 HB ILE A 63 3.522 -7.525 4.348 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.830 -7.283 6.142 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.935 -8.919 5.523 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.167 -9.860 4.852 1.00 0.00 H new ATOM 0 HG22 ILE A 63 5.570 -8.778 4.690 1.00 0.00 H new ATOM 0 HG23 ILE A 63 5.025 -9.291 6.304 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.650 -8.913 7.941 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.233 -9.598 7.501 1.00 0.00 H new ATOM 0 HD13 ILE A 63 3.126 -7.936 8.130 1.00 0.00 H new ATOM 993 N THR A 64 6.771 -7.054 6.684 1.00 0.00 N ATOM 994 CA THR A 64 7.813 -7.451 7.596 1.00 0.00 C ATOM 995 C THR A 64 8.281 -6.276 8.458 1.00 0.00 C ATOM 996 O THR A 64 8.411 -6.405 9.676 1.00 0.00 O ATOM 997 CB THR A 64 9.004 -8.069 6.829 1.00 0.00 C ATOM 998 OG1 THR A 64 8.518 -9.146 6.018 1.00 0.00 O ATOM 999 CG2 THR A 64 10.066 -8.607 7.783 1.00 0.00 C ATOM 0 H THR A 64 7.083 -6.894 5.726 1.00 0.00 H new ATOM 0 HA THR A 64 7.398 -8.208 8.262 1.00 0.00 H new ATOM 0 HB THR A 64 9.460 -7.292 6.216 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.427 -8.842 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.888 -9.034 7.209 1.00 0.00 H new ATOM 0 HG22 THR A 64 10.441 -7.795 8.405 1.00 0.00 H new ATOM 0 HG23 THR A 64 9.628 -9.377 8.418 1.00 0.00 H new ATOM 1007 N HIS A 65 8.487 -5.134 7.843 1.00 0.00 N ATOM 1008 CA HIS A 65 9.017 -3.991 8.575 1.00 0.00 C ATOM 1009 C HIS A 65 7.927 -3.245 9.335 1.00 0.00 C ATOM 1010 O HIS A 65 8.079 -2.939 10.518 1.00 0.00 O ATOM 1011 CB HIS A 65 9.792 -3.031 7.650 1.00 0.00 C ATOM 1012 CG HIS A 65 11.018 -3.634 7.010 1.00 0.00 C ATOM 1013 ND1 HIS A 65 11.138 -4.369 5.877 1.00 0.00 N flip ATOM 1014 CD2 HIS A 65 12.297 -3.497 7.503 1.00 0.00 C flip ATOM 1015 CE1 HIS A 65 12.475 -4.681 5.668 1.00 0.00 C flip ATOM 1016 NE2 HIS A 65 13.128 -4.131 6.675 1.00 0.00 N flip ATOM 0 H HIS A 65 8.301 -4.966 6.854 1.00 0.00 H new ATOM 0 HA HIS A 65 9.718 -4.389 9.309 1.00 0.00 H new ATOM 0 HB2 HIS A 65 9.121 -2.683 6.864 1.00 0.00 H new ATOM 0 HB3 HIS A 65 10.091 -2.155 8.225 1.00 0.00 H new ATOM 0 HD1 HIS A 65 10.366 -4.649 5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 65 12.577 -2.969 8.402 1.00 0.00 H new ATOM 0 HE1 HIS A 65 12.893 -5.253 4.853 1.00 0.00 H new ATOM 1024 N PHE A 66 6.848 -2.934 8.659 1.00 0.00 N ATOM 1025 CA PHE A 66 5.747 -2.199 9.262 1.00 0.00 C ATOM 1026 C PHE A 66 4.799 -3.083 10.061 1.00 0.00 C ATOM 1027 O PHE A 66 4.601 -2.860 11.256 1.00 0.00 O ATOM 1028 CB PHE A 66 5.003 -1.424 8.191 1.00 0.00 C ATOM 1029 CG PHE A 66 5.892 -0.465 7.493 1.00 0.00 C ATOM 1030 CD1 PHE A 66 6.063 0.817 7.964 1.00 0.00 C ATOM 1031 CD2 PHE A 66 6.592 -0.867 6.385 1.00 0.00 C ATOM 1032 CE1 PHE A 66 6.926 1.679 7.328 1.00 0.00 C ATOM 1033 CE2 PHE A 66 7.442 -0.024 5.744 1.00 0.00 C ATOM 1034 CZ PHE A 66 7.613 1.250 6.211 1.00 0.00 C ATOM 0 H PHE A 66 6.702 -3.179 7.680 1.00 0.00 H new ATOM 0 HA PHE A 66 6.178 -1.504 9.983 1.00 0.00 H new ATOM 0 HB2 PHE A 66 4.578 -2.119 7.467 1.00 0.00 H new ATOM 0 HB3 PHE A 66 4.170 -0.886 8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 66 5.518 1.147 8.836 1.00 0.00 H new ATOM 0 HD2 PHE A 66 6.465 -1.874 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 66 7.065 2.683 7.700 1.00 0.00 H new ATOM 0 HE2 PHE A 66 7.980 -0.358 4.869 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.288 1.923 5.704 1.00 0.00 H new ATOM 1044 N GLY A 67 4.218 -4.059 9.423 1.00 0.00 N ATOM 1045 CA GLY A 67 3.267 -4.921 10.091 1.00 0.00 C ATOM 1046 C GLY A 67 2.118 -5.209 9.176 1.00 0.00 C ATOM 1047 O GLY A 67 2.052 -4.606 8.130 1.00 0.00 O ATOM 0 H GLY A 67 4.382 -4.283 8.441 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.751 -5.852 10.387 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.908 -4.444 11.003 1.00 0.00 H new ATOM 1051 N PRO A 68 1.185 -6.103 9.537 1.00 0.00 N ATOM 1052 CA PRO A 68 0.071 -6.474 8.655 1.00 0.00 C ATOM 1053 C PRO A 68 -0.852 -5.299 8.299 1.00 0.00 C ATOM 1054 O PRO A 68 -1.044 -4.993 7.118 1.00 0.00 O ATOM 1055 CB PRO A 68 -0.686 -7.573 9.415 1.00 0.00 C ATOM 1056 CG PRO A 68 -0.191 -7.524 10.824 1.00 0.00 C ATOM 1057 CD PRO A 68 1.153 -6.835 10.816 1.00 0.00 C ATOM 0 HA PRO A 68 0.446 -6.812 7.689 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -1.762 -7.403 9.375 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -0.501 -8.551 8.971 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.894 -6.983 11.458 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.102 -8.530 11.233 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.257 -6.158 11.664 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.969 -7.555 10.882 1.00 0.00 H new ATOM 1065 N GLU A 69 -1.396 -4.631 9.307 1.00 0.00 N ATOM 1066 CA GLU A 69 -2.291 -3.510 9.074 1.00 0.00 C ATOM 1067 C GLU A 69 -1.506 -2.315 8.594 1.00 0.00 C ATOM 1068 O GLU A 69 -1.948 -1.561 7.719 1.00 0.00 O ATOM 1069 CB GLU A 69 -3.040 -3.111 10.350 1.00 0.00 C ATOM 1070 CG GLU A 69 -3.769 -4.244 11.030 1.00 0.00 C ATOM 1071 CD GLU A 69 -2.928 -4.973 12.063 1.00 0.00 C ATOM 1072 OE1 GLU A 69 -1.684 -4.961 11.975 1.00 0.00 O ATOM 1073 OE2 GLU A 69 -3.510 -5.582 12.987 1.00 0.00 O ATOM 0 H GLU A 69 -1.233 -4.846 10.291 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.014 -3.824 8.321 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.328 -2.680 11.054 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.759 -2.329 10.104 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.664 -3.852 11.513 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.101 -4.957 10.275 1.00 0.00 H new ATOM 1080 N GLU A 70 -0.320 -2.176 9.149 1.00 0.00 N ATOM 1081 CA GLU A 70 0.526 -1.049 8.881 1.00 0.00 C ATOM 1082 C GLU A 70 0.977 -1.035 7.417 1.00 0.00 C ATOM 1083 O GLU A 70 0.940 0.001 6.757 1.00 0.00 O ATOM 1084 CB GLU A 70 1.715 -1.053 9.833 1.00 0.00 C ATOM 1085 CG GLU A 70 2.462 0.260 9.859 1.00 0.00 C ATOM 1086 CD GLU A 70 1.615 1.389 10.378 1.00 0.00 C ATOM 1087 OE1 GLU A 70 0.593 1.726 9.770 1.00 0.00 O ATOM 1088 OE2 GLU A 70 1.969 1.983 11.414 1.00 0.00 O ATOM 0 H GLU A 70 0.080 -2.850 9.802 1.00 0.00 H new ATOM 0 HA GLU A 70 -0.043 -0.135 9.050 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.366 -1.285 10.839 1.00 0.00 H new ATOM 0 HB3 GLU A 70 2.402 -1.848 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.350 0.158 10.483 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.806 0.500 8.853 1.00 0.00 H new ATOM 1095 N ALA A 71 1.365 -2.201 6.913 1.00 0.00 N ATOM 1096 CA ALA A 71 1.762 -2.370 5.514 1.00 0.00 C ATOM 1097 C ALA A 71 0.666 -1.926 4.576 1.00 0.00 C ATOM 1098 O ALA A 71 0.931 -1.281 3.558 1.00 0.00 O ATOM 1099 CB ALA A 71 2.076 -3.818 5.239 1.00 0.00 C ATOM 0 H ALA A 71 1.414 -3.060 7.462 1.00 0.00 H new ATOM 0 HA ALA A 71 2.645 -1.753 5.344 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.370 -3.935 4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.892 -4.142 5.885 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.193 -4.426 5.437 1.00 0.00 H new ATOM 1105 N TRP A 72 -0.567 -2.250 4.933 1.00 0.00 N ATOM 1106 CA TRP A 72 -1.694 -1.897 4.116 1.00 0.00 C ATOM 1107 C TRP A 72 -1.878 -0.391 4.066 1.00 0.00 C ATOM 1108 O TRP A 72 -2.090 0.188 2.978 1.00 0.00 O ATOM 1109 CB TRP A 72 -2.981 -2.630 4.550 1.00 0.00 C ATOM 1110 CG TRP A 72 -4.200 -2.217 3.762 1.00 0.00 C ATOM 1111 CD1 TRP A 72 -5.423 -1.885 4.260 1.00 0.00 C ATOM 1112 CD2 TRP A 72 -4.288 -2.044 2.334 1.00 0.00 C ATOM 1113 NE1 TRP A 72 -6.273 -1.546 3.232 1.00 0.00 N ATOM 1114 CE2 TRP A 72 -5.587 -1.628 2.043 1.00 0.00 C ATOM 1115 CE3 TRP A 72 -3.381 -2.208 1.283 1.00 0.00 C ATOM 1116 CZ2 TRP A 72 -6.004 -1.373 0.748 1.00 0.00 C ATOM 1117 CZ3 TRP A 72 -3.789 -1.957 0.000 1.00 0.00 C ATOM 1118 CH2 TRP A 72 -5.093 -1.542 -0.263 1.00 0.00 C ATOM 0 H TRP A 72 -0.802 -2.757 5.786 1.00 0.00 H new ATOM 0 HA TRP A 72 -1.483 -2.234 3.101 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -2.833 -3.704 4.440 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -3.160 -2.439 5.608 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -5.687 -1.887 5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -7.252 -1.278 3.335 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -2.369 -2.529 1.481 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -7.014 -1.051 0.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -3.093 -2.082 -0.816 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -5.392 -1.350 -1.283 1.00 0.00 H new ATOM 1129 N ARG A 73 -1.759 0.252 5.214 1.00 0.00 N ATOM 1130 CA ARG A 73 -1.873 1.693 5.265 1.00 0.00 C ATOM 1131 C ARG A 73 -0.773 2.327 4.416 1.00 0.00 C ATOM 1132 O ARG A 73 -1.039 3.195 3.587 1.00 0.00 O ATOM 1133 CB ARG A 73 -1.816 2.233 6.706 1.00 0.00 C ATOM 1134 CG ARG A 73 -1.895 3.758 6.776 1.00 0.00 C ATOM 1135 CD ARG A 73 -1.831 4.293 8.200 1.00 0.00 C ATOM 1136 NE ARG A 73 -0.563 3.976 8.894 1.00 0.00 N ATOM 1137 CZ ARG A 73 0.253 4.879 9.465 1.00 0.00 C ATOM 1138 NH1 ARG A 73 0.093 6.165 9.230 1.00 0.00 N ATOM 1139 NH2 ARG A 73 1.250 4.480 10.243 1.00 0.00 N ATOM 0 H ARG A 73 -1.585 -0.198 6.113 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.850 1.962 4.862 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.637 1.805 7.281 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -0.891 1.901 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.077 4.186 6.196 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.823 4.090 6.311 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.964 5.375 8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.662 3.880 8.772 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.286 2.995 8.943 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.654 6.481 8.611 1.00 0.00 H new ATOM 0 HH12 ARG A 73 0.716 6.845 9.667 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.400 3.485 10.410 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.867 5.168 10.674 1.00 0.00 H new ATOM 1153 N LEU A 74 0.438 1.833 4.593 1.00 0.00 N ATOM 1154 CA LEU A 74 1.600 2.309 3.868 1.00 0.00 C ATOM 1155 C LEU A 74 1.448 2.198 2.354 1.00 0.00 C ATOM 1156 O LEU A 74 1.956 3.027 1.636 1.00 0.00 O ATOM 1157 CB LEU A 74 2.889 1.622 4.359 1.00 0.00 C ATOM 1158 CG LEU A 74 3.670 2.314 5.505 1.00 0.00 C ATOM 1159 CD1 LEU A 74 4.260 3.629 5.034 1.00 0.00 C ATOM 1160 CD2 LEU A 74 2.798 2.552 6.730 1.00 0.00 C ATOM 0 H LEU A 74 0.644 1.082 5.251 1.00 0.00 H new ATOM 0 HA LEU A 74 1.681 3.374 4.086 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.631 0.615 4.687 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.561 1.518 3.507 1.00 0.00 H new ATOM 0 HG LEU A 74 4.475 1.638 5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.804 4.098 5.854 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.942 3.445 4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.458 4.290 4.705 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.387 3.039 7.507 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.957 3.190 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.425 1.598 7.102 1.00 0.00 H new ATOM 1172 N ALA A 75 0.747 1.197 1.875 1.00 0.00 N ATOM 1173 CA ALA A 75 0.532 1.084 0.446 1.00 0.00 C ATOM 1174 C ALA A 75 -0.556 2.033 -0.029 1.00 0.00 C ATOM 1175 O ALA A 75 -0.297 2.885 -0.877 1.00 0.00 O ATOM 1176 CB ALA A 75 0.216 -0.335 0.040 1.00 0.00 C ATOM 0 H ALA A 75 0.322 0.461 2.438 1.00 0.00 H new ATOM 0 HA ALA A 75 1.465 1.370 -0.040 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.061 -0.379 -1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.046 -0.985 0.314 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -0.688 -0.667 0.550 1.00 0.00 H new ATOM 1182 N LEU A 76 -1.753 1.944 0.562 1.00 0.00 N ATOM 1183 CA LEU A 76 -2.898 2.722 0.062 1.00 0.00 C ATOM 1184 C LEU A 76 -2.661 4.217 0.202 1.00 0.00 C ATOM 1185 O LEU A 76 -2.906 4.987 -0.724 1.00 0.00 O ATOM 1186 CB LEU A 76 -4.246 2.276 0.708 1.00 0.00 C ATOM 1187 CG LEU A 76 -4.555 2.696 2.171 1.00 0.00 C ATOM 1188 CD1 LEU A 76 -5.198 4.085 2.237 1.00 0.00 C ATOM 1189 CD2 LEU A 76 -5.457 1.686 2.828 1.00 0.00 C ATOM 0 H LEU A 76 -1.955 1.355 1.370 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.986 2.509 -1.003 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -5.053 2.654 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.289 1.188 0.662 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.606 2.736 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -5.399 4.344 3.277 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.520 4.821 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -6.133 4.080 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.664 1.995 3.853 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -6.393 1.619 2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.968 0.712 2.835 1.00 0.00 H new ATOM 1201 N SER A 77 -2.112 4.607 1.324 1.00 0.00 N ATOM 1202 CA SER A 77 -1.873 5.986 1.615 1.00 0.00 C ATOM 1203 C SER A 77 -0.670 6.536 0.848 1.00 0.00 C ATOM 1204 O SER A 77 -0.476 7.733 0.787 1.00 0.00 O ATOM 1205 CB SER A 77 -1.740 6.166 3.124 1.00 0.00 C ATOM 1206 OG SER A 77 -2.985 5.948 3.775 1.00 0.00 O ATOM 0 H SER A 77 -1.818 3.967 2.062 1.00 0.00 H new ATOM 0 HA SER A 77 -2.725 6.573 1.273 1.00 0.00 H new ATOM 0 HB2 SER A 77 -0.996 5.471 3.513 1.00 0.00 H new ATOM 0 HB3 SER A 77 -1.382 7.172 3.344 1.00 0.00 H new ATOM 0 HG SER A 77 -2.874 6.067 4.741 1.00 0.00 H new ATOM 1212 N THR A 78 0.108 5.667 0.230 1.00 0.00 N ATOM 1213 CA THR A 78 1.212 6.123 -0.564 1.00 0.00 C ATOM 1214 C THR A 78 0.815 6.151 -2.041 1.00 0.00 C ATOM 1215 O THR A 78 1.415 6.875 -2.843 1.00 0.00 O ATOM 1216 CB THR A 78 2.484 5.289 -0.296 1.00 0.00 C ATOM 1217 OG1 THR A 78 2.822 5.432 1.094 1.00 0.00 O ATOM 1218 CG2 THR A 78 3.670 5.739 -1.145 1.00 0.00 C ATOM 0 H THR A 78 -0.009 4.654 0.267 1.00 0.00 H new ATOM 0 HA THR A 78 1.462 7.144 -0.274 1.00 0.00 H new ATOM 0 HB THR A 78 2.275 4.252 -0.559 1.00 0.00 H new ATOM 0 HG1 THR A 78 2.365 4.739 1.615 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.537 5.119 -0.916 1.00 0.00 H new ATOM 0 HG22 THR A 78 3.420 5.638 -2.201 1.00 0.00 H new ATOM 0 HG23 THR A 78 3.901 6.781 -0.924 1.00 0.00 H new ATOM 1226 N PHE A 79 -0.256 5.418 -2.381 1.00 0.00 N ATOM 1227 CA PHE A 79 -0.780 5.431 -3.734 1.00 0.00 C ATOM 1228 C PHE A 79 -1.176 6.847 -4.108 1.00 0.00 C ATOM 1229 O PHE A 79 -0.752 7.361 -5.121 1.00 0.00 O ATOM 1230 CB PHE A 79 -1.990 4.484 -3.914 1.00 0.00 C ATOM 1231 CG PHE A 79 -1.692 3.018 -3.800 1.00 0.00 C ATOM 1232 CD1 PHE A 79 -0.477 2.497 -4.215 1.00 0.00 C ATOM 1233 CD2 PHE A 79 -2.637 2.158 -3.267 1.00 0.00 C ATOM 1234 CE1 PHE A 79 -0.215 1.153 -4.099 1.00 0.00 C ATOM 1235 CE2 PHE A 79 -2.379 0.809 -3.148 1.00 0.00 C ATOM 1236 CZ PHE A 79 -1.165 0.304 -3.564 1.00 0.00 C ATOM 0 H PHE A 79 -0.766 4.816 -1.735 1.00 0.00 H new ATOM 0 HA PHE A 79 0.009 5.070 -4.393 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -2.743 4.742 -3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -2.432 4.671 -4.893 1.00 0.00 H new ATOM 0 HD1 PHE A 79 0.271 3.154 -4.634 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -3.589 2.549 -2.940 1.00 0.00 H new ATOM 0 HE1 PHE A 79 0.736 0.759 -4.427 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -3.125 0.150 -2.730 1.00 0.00 H new ATOM 0 HZ PHE A 79 -0.957 -0.752 -3.472 1.00 0.00 H new ATOM 1246 N GLU A 80 -1.938 7.494 -3.241 1.00 0.00 N ATOM 1247 CA GLU A 80 -2.370 8.867 -3.480 1.00 0.00 C ATOM 1248 C GLU A 80 -1.158 9.826 -3.536 1.00 0.00 C ATOM 1249 O GLU A 80 -1.137 10.761 -4.334 1.00 0.00 O ATOM 1250 CB GLU A 80 -3.371 9.325 -2.407 1.00 0.00 C ATOM 1251 CG GLU A 80 -2.826 9.208 -1.007 1.00 0.00 C ATOM 1252 CD GLU A 80 -3.674 9.872 0.045 1.00 0.00 C ATOM 1253 OE1 GLU A 80 -4.027 11.067 -0.122 1.00 0.00 O ATOM 1254 OE2 GLU A 80 -3.942 9.251 1.090 1.00 0.00 O ATOM 0 H GLU A 80 -2.272 7.093 -2.365 1.00 0.00 H new ATOM 0 HA GLU A 80 -2.872 8.894 -4.447 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -3.650 10.361 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.280 8.730 -2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -2.719 8.152 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.827 9.644 -0.981 1.00 0.00 H new ATOM 1261 N ARG A 81 -0.126 9.520 -2.741 1.00 0.00 N ATOM 1262 CA ARG A 81 1.086 10.344 -2.643 1.00 0.00 C ATOM 1263 C ARG A 81 1.875 10.340 -3.939 1.00 0.00 C ATOM 1264 O ARG A 81 2.445 11.359 -4.341 1.00 0.00 O ATOM 1265 CB ARG A 81 2.001 9.845 -1.537 1.00 0.00 C ATOM 1266 CG ARG A 81 1.425 9.890 -0.142 1.00 0.00 C ATOM 1267 CD ARG A 81 1.018 11.282 0.265 1.00 0.00 C ATOM 1268 NE ARG A 81 0.758 11.364 1.707 1.00 0.00 N ATOM 1269 CZ ARG A 81 -0.094 12.206 2.303 1.00 0.00 C ATOM 1270 NH1 ARG A 81 -0.946 12.941 1.584 1.00 0.00 N ATOM 1271 NH2 ARG A 81 -0.109 12.291 3.630 1.00 0.00 N ATOM 0 H ARG A 81 -0.107 8.692 -2.146 1.00 0.00 H new ATOM 0 HA ARG A 81 0.749 11.357 -2.424 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.284 8.816 -1.761 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.916 10.438 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.559 9.230 -0.088 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.161 9.508 0.565 1.00 0.00 H new ATOM 0 HD2 ARG A 81 1.805 11.986 -0.005 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.124 11.577 -0.285 1.00 0.00 H new ATOM 0 HE ARG A 81 1.273 10.721 2.309 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.953 12.865 0.567 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.590 13.579 2.052 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.526 11.717 4.185 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.755 12.930 4.093 1.00 0.00 H new ATOM 1285 N ILE A 82 1.905 9.197 -4.600 1.00 0.00 N ATOM 1286 CA ILE A 82 2.648 9.052 -5.849 1.00 0.00 C ATOM 1287 C ILE A 82 1.755 9.359 -7.030 1.00 0.00 C ATOM 1288 O ILE A 82 2.115 9.115 -8.182 1.00 0.00 O ATOM 1289 CB ILE A 82 3.283 7.643 -6.000 1.00 0.00 C ATOM 1290 CG1 ILE A 82 2.204 6.539 -5.992 1.00 0.00 C ATOM 1291 CG2 ILE A 82 4.305 7.422 -4.891 1.00 0.00 C ATOM 1292 CD1 ILE A 82 2.736 5.133 -6.187 1.00 0.00 C ATOM 0 H ILE A 82 1.424 8.351 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 82 3.467 9.770 -5.822 1.00 0.00 H new ATOM 0 HB ILE A 82 3.790 7.588 -6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.667 6.582 -5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.480 6.751 -6.779 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.750 6.433 -4.998 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.085 8.180 -4.959 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.812 7.495 -3.922 1.00 0.00 H new ATOM 0 HD11 ILE A 82 1.908 4.425 -6.167 1.00 0.00 H new ATOM 0 HD12 ILE A 82 3.247 5.067 -7.148 1.00 0.00 H new ATOM 0 HD13 ILE A 82 3.436 4.895 -5.387 1.00 0.00 H new ATOM 1304 N ASN A 83 0.613 9.939 -6.713 1.00 0.00 N ATOM 1305 CA ASN A 83 -0.416 10.317 -7.654 1.00 0.00 C ATOM 1306 C ASN A 83 -1.077 9.090 -8.258 1.00 0.00 C ATOM 1307 O ASN A 83 -0.793 8.665 -9.390 1.00 0.00 O ATOM 1308 CB ASN A 83 0.065 11.330 -8.711 1.00 0.00 C ATOM 1309 CG ASN A 83 -1.054 11.831 -9.600 1.00 0.00 C ATOM 1310 OD1 ASN A 83 -1.321 11.276 -10.668 1.00 0.00 O ATOM 1311 ND2 ASN A 83 -1.717 12.871 -9.169 1.00 0.00 N ATOM 0 H ASN A 83 0.370 10.168 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 83 -1.182 10.852 -7.092 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.530 12.178 -8.209 1.00 0.00 H new ATOM 0 HB3 ASN A 83 0.833 10.865 -9.329 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -2.485 13.251 -9.722 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.466 13.303 -8.280 1.00 0.00 H new ATOM 1318 N ARG A 84 -1.862 8.470 -7.429 1.00 0.00 N ATOM 1319 CA ARG A 84 -2.637 7.312 -7.764 1.00 0.00 C ATOM 1320 C ARG A 84 -3.814 7.208 -6.797 1.00 0.00 C ATOM 1321 O ARG A 84 -3.812 6.432 -5.845 1.00 0.00 O ATOM 1322 CB ARG A 84 -1.778 6.014 -7.776 1.00 0.00 C ATOM 1323 CG ARG A 84 -2.565 4.728 -8.014 1.00 0.00 C ATOM 1324 CD ARG A 84 -3.337 4.761 -9.317 1.00 0.00 C ATOM 1325 NE ARG A 84 -2.459 4.748 -10.475 1.00 0.00 N ATOM 1326 CZ ARG A 84 -2.678 4.083 -11.624 1.00 0.00 C ATOM 1327 NH1 ARG A 84 -3.805 3.385 -11.814 1.00 0.00 N ATOM 1328 NH2 ARG A 84 -1.761 4.127 -12.585 1.00 0.00 N ATOM 0 H ARG A 84 -1.985 8.769 -6.462 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.017 7.423 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -1.017 6.106 -8.551 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.255 5.932 -6.823 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -1.879 3.881 -8.022 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.258 4.570 -7.187 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -4.008 3.903 -9.362 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -3.960 5.655 -9.346 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.599 5.292 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.514 3.352 -11.081 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.955 2.887 -12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -0.903 4.661 -12.447 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -1.915 3.627 -13.461 1.00 0.00 H new ATOM 1342 N LYS A 85 -4.794 8.020 -7.036 1.00 0.00 N ATOM 1343 CA LYS A 85 -5.984 8.067 -6.216 1.00 0.00 C ATOM 1344 C LYS A 85 -6.915 6.937 -6.663 1.00 0.00 C ATOM 1345 O LYS A 85 -7.760 6.447 -5.908 1.00 0.00 O ATOM 1346 CB LYS A 85 -6.607 9.470 -6.345 1.00 0.00 C ATOM 1347 CG LYS A 85 -7.903 9.710 -5.593 1.00 0.00 C ATOM 1348 CD LYS A 85 -8.342 11.164 -5.725 1.00 0.00 C ATOM 1349 CE LYS A 85 -9.616 11.455 -4.937 1.00 0.00 C ATOM 1350 NZ LYS A 85 -10.802 10.775 -5.491 1.00 0.00 N ATOM 0 H LYS A 85 -4.800 8.681 -7.813 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.771 7.910 -5.159 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -5.874 10.201 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.785 9.668 -7.402 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -8.681 9.053 -5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.770 9.459 -4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.543 11.816 -5.374 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -8.506 11.398 -6.777 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -9.476 11.144 -3.902 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -9.792 12.531 -4.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -11.611 10.912 -4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -11.027 11.175 -6.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.605 9.758 -5.588 1.00 0.00 H new ATOM 1364 N ASP A 86 -6.653 6.485 -7.882 1.00 0.00 N ATOM 1365 CA ASP A 86 -7.339 5.375 -8.529 1.00 0.00 C ATOM 1366 C ASP A 86 -7.274 4.072 -7.715 1.00 0.00 C ATOM 1367 O ASP A 86 -8.289 3.428 -7.494 1.00 0.00 O ATOM 1368 CB ASP A 86 -6.775 5.189 -9.951 1.00 0.00 C ATOM 1369 CG ASP A 86 -7.038 3.835 -10.560 1.00 0.00 C ATOM 1370 OD1 ASP A 86 -8.120 3.607 -11.153 1.00 0.00 O ATOM 1371 OD2 ASP A 86 -6.152 2.987 -10.493 1.00 0.00 O ATOM 0 H ASP A 86 -5.929 6.898 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.399 5.623 -8.590 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -7.202 5.954 -10.600 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -5.699 5.358 -9.925 1.00 0.00 H new ATOM 1376 N LEU A 87 -6.089 3.699 -7.245 1.00 0.00 N ATOM 1377 CA LEU A 87 -5.956 2.476 -6.445 1.00 0.00 C ATOM 1378 C LEU A 87 -6.310 2.745 -5.004 1.00 0.00 C ATOM 1379 O LEU A 87 -6.784 1.861 -4.294 1.00 0.00 O ATOM 1380 CB LEU A 87 -4.545 1.878 -6.518 1.00 0.00 C ATOM 1381 CG LEU A 87 -4.070 1.365 -7.875 1.00 0.00 C ATOM 1382 CD1 LEU A 87 -2.655 0.839 -7.765 1.00 0.00 C ATOM 1383 CD2 LEU A 87 -4.992 0.279 -8.394 1.00 0.00 C ATOM 0 H LEU A 87 -5.220 4.210 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 87 -6.650 1.750 -6.869 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.840 2.636 -6.179 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.492 1.053 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.088 2.195 -8.581 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.325 0.475 -8.738 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.994 1.640 -7.434 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -2.625 0.022 -7.044 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.633 -0.071 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -5.007 -0.553 -7.690 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.000 0.679 -8.504 1.00 0.00 H new ATOM 1395 N TRP A 88 -6.097 3.973 -4.601 1.00 0.00 N ATOM 1396 CA TRP A 88 -6.358 4.439 -3.256 1.00 0.00 C ATOM 1397 C TRP A 88 -7.834 4.220 -2.875 1.00 0.00 C ATOM 1398 O TRP A 88 -8.138 3.624 -1.834 1.00 0.00 O ATOM 1399 CB TRP A 88 -5.953 5.916 -3.184 1.00 0.00 C ATOM 1400 CG TRP A 88 -6.277 6.618 -1.901 1.00 0.00 C ATOM 1401 CD1 TRP A 88 -5.658 6.468 -0.707 1.00 0.00 C ATOM 1402 CD2 TRP A 88 -7.288 7.607 -1.703 1.00 0.00 C ATOM 1403 NE1 TRP A 88 -6.224 7.298 0.224 1.00 0.00 N ATOM 1404 CE2 TRP A 88 -7.227 8.008 -0.367 1.00 0.00 C ATOM 1405 CE3 TRP A 88 -8.235 8.185 -2.527 1.00 0.00 C ATOM 1406 CZ2 TRP A 88 -8.084 8.972 0.161 1.00 0.00 C ATOM 1407 CZ3 TRP A 88 -9.083 9.136 -2.008 1.00 0.00 C ATOM 1408 CH2 TRP A 88 -9.004 9.521 -0.676 1.00 0.00 C ATOM 0 H TRP A 88 -5.727 4.699 -5.215 1.00 0.00 H new ATOM 0 HA TRP A 88 -5.773 3.871 -2.533 1.00 0.00 H new ATOM 0 HB2 TRP A 88 -4.879 5.988 -3.354 1.00 0.00 H new ATOM 0 HB3 TRP A 88 -6.441 6.448 -4.001 1.00 0.00 H new ATOM 0 HD1 TRP A 88 -4.837 5.792 -0.516 1.00 0.00 H new ATOM 0 HE1 TRP A 88 -5.941 7.373 1.201 1.00 0.00 H new ATOM 0 HE3 TRP A 88 -8.308 7.894 -3.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 88 -8.020 9.272 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 88 -9.824 9.592 -2.648 1.00 0.00 H new ATOM 0 HH2 TRP A 88 -9.685 10.269 -0.299 1.00 0.00 H new ATOM 1419 N GLU A 89 -8.731 4.649 -3.745 1.00 0.00 N ATOM 1420 CA GLU A 89 -10.168 4.487 -3.523 1.00 0.00 C ATOM 1421 C GLU A 89 -10.607 3.034 -3.534 1.00 0.00 C ATOM 1422 O GLU A 89 -11.555 2.669 -2.846 1.00 0.00 O ATOM 1423 CB GLU A 89 -10.968 5.283 -4.524 1.00 0.00 C ATOM 1424 CG GLU A 89 -10.799 6.759 -4.348 1.00 0.00 C ATOM 1425 CD GLU A 89 -11.565 7.550 -5.337 1.00 0.00 C ATOM 1426 OE1 GLU A 89 -12.811 7.579 -5.265 1.00 0.00 O ATOM 1427 OE2 GLU A 89 -10.952 8.208 -6.174 1.00 0.00 O ATOM 0 H GLU A 89 -8.493 5.116 -4.620 1.00 0.00 H new ATOM 0 HA GLU A 89 -10.366 4.874 -2.524 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.664 5.003 -5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -12.023 5.027 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.116 7.038 -3.343 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -9.742 7.011 -4.430 1.00 0.00 H new ATOM 1434 N ARG A 90 -9.926 2.207 -4.307 1.00 0.00 N ATOM 1435 CA ARG A 90 -10.255 0.783 -4.357 1.00 0.00 C ATOM 1436 C ARG A 90 -9.841 0.165 -3.033 1.00 0.00 C ATOM 1437 O ARG A 90 -10.560 -0.665 -2.451 1.00 0.00 O ATOM 1438 CB ARG A 90 -9.488 0.069 -5.467 1.00 0.00 C ATOM 1439 CG ARG A 90 -9.581 0.697 -6.835 1.00 0.00 C ATOM 1440 CD ARG A 90 -8.788 -0.122 -7.830 1.00 0.00 C ATOM 1441 NE ARG A 90 -8.555 0.580 -9.090 1.00 0.00 N ATOM 1442 CZ ARG A 90 -8.175 -0.014 -10.233 1.00 0.00 C ATOM 1443 NH1 ARG A 90 -8.255 -1.341 -10.357 1.00 0.00 N ATOM 1444 NH2 ARG A 90 -7.760 0.716 -11.258 1.00 0.00 N ATOM 0 H ARG A 90 -9.149 2.487 -4.905 1.00 0.00 H new ATOM 0 HA ARG A 90 -11.323 0.677 -4.548 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -8.437 0.017 -5.182 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -9.851 -0.957 -5.533 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -10.623 0.756 -7.148 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -9.199 1.717 -6.804 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -7.829 -0.392 -7.388 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -9.319 -1.052 -8.032 1.00 0.00 H new ATOM 0 HE ARG A 90 -8.690 1.591 -9.102 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -8.605 -1.905 -9.583 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.966 -1.790 -11.226 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.728 1.733 -11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -7.472 0.261 -12.125 1.00 0.00 H new ATOM 1458 N GLY A 91 -8.678 0.612 -2.571 1.00 0.00 N ATOM 1459 CA GLY A 91 -8.094 0.170 -1.340 1.00 0.00 C ATOM 1460 C GLY A 91 -8.948 0.467 -0.146 1.00 0.00 C ATOM 1461 O GLY A 91 -9.293 -0.444 0.626 1.00 0.00 O ATOM 0 H GLY A 91 -8.115 1.306 -3.063 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -7.916 -0.904 -1.394 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -7.123 0.648 -1.213 1.00 0.00 H new ATOM 1465 N GLN A 92 -9.322 1.707 0.020 1.00 0.00 N ATOM 1466 CA GLN A 92 -10.103 2.050 1.167 1.00 0.00 C ATOM 1467 C GLN A 92 -11.595 1.837 0.956 1.00 0.00 C ATOM 1468 O GLN A 92 -12.347 2.733 0.582 1.00 0.00 O ATOM 1469 CB GLN A 92 -9.760 3.424 1.770 1.00 0.00 C ATOM 1470 CG GLN A 92 -9.973 4.617 0.848 1.00 0.00 C ATOM 1471 CD GLN A 92 -9.707 5.934 1.542 1.00 0.00 C ATOM 1472 OE1 GLN A 92 -8.868 6.029 2.439 1.00 0.00 O ATOM 1473 NE2 GLN A 92 -10.443 6.947 1.173 1.00 0.00 N ATOM 0 H GLN A 92 -9.103 2.478 -0.611 1.00 0.00 H new ATOM 0 HA GLN A 92 -9.808 1.334 1.934 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -10.362 3.568 2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -8.717 3.413 2.085 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -9.317 4.526 -0.018 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -10.997 4.606 0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -11.129 6.834 0.426 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -10.332 7.852 1.631 1.00 0.00 H new ATOM 1482 N ARG A 93 -11.986 0.604 1.105 1.00 0.00 N ATOM 1483 CA ARG A 93 -13.392 0.228 1.144 1.00 0.00 C ATOM 1484 C ARG A 93 -13.761 0.184 2.640 1.00 0.00 C ATOM 1485 O ARG A 93 -14.919 0.058 3.033 1.00 0.00 O ATOM 1486 CB ARG A 93 -13.581 -1.181 0.538 1.00 0.00 C ATOM 1487 CG ARG A 93 -13.008 -2.245 1.437 1.00 0.00 C ATOM 1488 CD ARG A 93 -13.159 -3.638 0.944 1.00 0.00 C ATOM 1489 NE ARG A 93 -12.772 -4.569 2.014 1.00 0.00 N ATOM 1490 CZ ARG A 93 -13.261 -5.795 2.214 1.00 0.00 C ATOM 1491 NH1 ARG A 93 -14.100 -6.344 1.344 1.00 0.00 N ATOM 1492 NH2 ARG A 93 -12.897 -6.460 3.305 1.00 0.00 N ATOM 0 H ARG A 93 -11.344 -0.182 1.204 1.00 0.00 H new ATOM 0 HA ARG A 93 -14.010 0.926 0.579 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -14.642 -1.371 0.377 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -13.098 -1.227 -0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -11.947 -2.042 1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -13.485 -2.169 2.414 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -14.190 -3.820 0.641 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -12.535 -3.796 0.064 1.00 0.00 H new ATOM 0 HE ARG A 93 -12.059 -4.246 2.668 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -14.379 -5.828 0.509 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -14.466 -7.282 1.510 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -12.255 -6.033 3.972 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -13.260 -7.398 3.475 1.00 0.00 H new ATOM 1506 N GLU A 94 -12.708 0.270 3.439 1.00 0.00 N ATOM 1507 CA GLU A 94 -12.735 0.197 4.867 1.00 0.00 C ATOM 1508 C GLU A 94 -12.227 1.525 5.344 1.00 0.00 C ATOM 1509 O GLU A 94 -11.332 2.102 4.710 1.00 0.00 O ATOM 1510 CB GLU A 94 -11.777 -0.924 5.324 1.00 0.00 C ATOM 1511 CG GLU A 94 -12.064 -2.242 4.634 1.00 0.00 C ATOM 1512 CD GLU A 94 -11.036 -3.324 4.837 1.00 0.00 C ATOM 1513 OE1 GLU A 94 -9.859 -3.019 5.087 1.00 0.00 O ATOM 1514 OE2 GLU A 94 -11.384 -4.517 4.643 1.00 0.00 O ATOM 0 H GLU A 94 -11.765 0.400 3.073 1.00 0.00 H new ATOM 0 HA GLU A 94 -13.730 -0.017 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -10.749 -0.626 5.120 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -11.863 -1.055 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -13.028 -2.612 4.984 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.163 -2.057 3.564 1.00 0.00 H new ATOM 1521 N ASP A 95 -12.790 2.023 6.392 1.00 0.00 N ATOM 1522 CA ASP A 95 -12.404 3.309 6.910 1.00 0.00 C ATOM 1523 C ASP A 95 -11.108 3.205 7.680 1.00 0.00 C ATOM 1524 O ASP A 95 -10.731 2.121 8.145 1.00 0.00 O ATOM 1525 CB ASP A 95 -13.488 3.862 7.788 1.00 0.00 C ATOM 1526 CG ASP A 95 -13.166 5.216 8.308 1.00 0.00 C ATOM 1527 OD1 ASP A 95 -13.208 6.193 7.534 1.00 0.00 O ATOM 1528 OD2 ASP A 95 -12.789 5.319 9.483 1.00 0.00 O ATOM 0 H ASP A 95 -13.530 1.559 6.919 1.00 0.00 H new ATOM 0 HA ASP A 95 -12.252 3.988 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -14.420 3.905 7.225 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -13.653 3.185 8.626 1.00 0.00 H new ATOM 1533 N LEU A 96 -10.455 4.318 7.830 1.00 0.00 N ATOM 1534 CA LEU A 96 -9.171 4.376 8.438 1.00 0.00 C ATOM 1535 C LEU A 96 -9.135 5.459 9.530 1.00 0.00 C ATOM 1536 O LEU A 96 -8.846 5.190 10.692 1.00 0.00 O ATOM 1537 CB LEU A 96 -8.203 4.709 7.326 1.00 0.00 C ATOM 1538 CG LEU A 96 -6.705 4.709 7.651 1.00 0.00 C ATOM 1539 CD1 LEU A 96 -6.207 3.299 7.931 1.00 0.00 C ATOM 1540 CD2 LEU A 96 -5.913 5.343 6.517 1.00 0.00 C ATOM 0 H LEU A 96 -10.811 5.224 7.526 1.00 0.00 H new ATOM 0 HA LEU A 96 -8.916 3.433 8.922 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -8.369 3.999 6.516 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -8.461 5.696 6.943 1.00 0.00 H new ATOM 0 HG LEU A 96 -6.554 5.303 8.552 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -5.141 3.328 8.159 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -6.749 2.884 8.781 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -6.374 2.673 7.054 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -4.852 5.334 6.765 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -6.076 4.778 5.599 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -6.244 6.372 6.373 1.00 0.00 H new ATOM 1552 N VAL A 97 -9.468 6.660 9.132 1.00 0.00 N ATOM 1553 CA VAL A 97 -9.387 7.869 9.982 1.00 0.00 C ATOM 1554 C VAL A 97 -10.785 8.392 10.356 1.00 0.00 C ATOM 1555 O VAL A 97 -10.949 9.167 11.311 1.00 0.00 O ATOM 1556 CB VAL A 97 -8.628 8.985 9.175 1.00 0.00 C ATOM 1557 CG1 VAL A 97 -8.685 10.348 9.853 1.00 0.00 C ATOM 1558 CG2 VAL A 97 -7.184 8.580 8.931 1.00 0.00 C ATOM 0 H VAL A 97 -9.813 6.852 8.192 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.863 7.615 10.903 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.143 9.083 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.144 11.077 9.250 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -9.724 10.661 9.955 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -8.227 10.283 10.840 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -6.676 9.365 8.371 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.681 8.432 9.887 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -7.158 7.652 8.360 1.00 0.00 H new ATOM 1568 N ARG A 98 -11.761 7.864 9.676 1.00 0.00 N ATOM 1569 CA ARG A 98 -13.113 8.367 9.616 1.00 0.00 C ATOM 1570 C ARG A 98 -13.181 9.452 8.579 1.00 0.00 C ATOM 1571 O ARG A 98 -13.130 10.649 8.867 1.00 0.00 O ATOM 1572 CB ARG A 98 -13.780 8.721 10.983 1.00 0.00 C ATOM 1573 CG ARG A 98 -15.196 9.293 10.880 1.00 0.00 C ATOM 1574 CD ARG A 98 -16.066 8.462 9.961 1.00 0.00 C ATOM 1575 NE ARG A 98 -16.263 7.080 10.428 1.00 0.00 N ATOM 1576 CZ ARG A 98 -16.524 6.030 9.629 1.00 0.00 C ATOM 1577 NH1 ARG A 98 -16.682 6.206 8.324 1.00 0.00 N ATOM 1578 NH2 ARG A 98 -16.646 4.812 10.142 1.00 0.00 N ATOM 0 H ARG A 98 -11.633 7.022 9.114 1.00 0.00 H new ATOM 0 HA ARG A 98 -13.752 7.541 9.304 1.00 0.00 H new ATOM 0 HB2 ARG A 98 -13.811 7.822 11.599 1.00 0.00 H new ATOM 0 HB3 ARG A 98 -13.149 9.442 11.502 1.00 0.00 H new ATOM 0 HG2 ARG A 98 -15.646 9.332 11.872 1.00 0.00 H new ATOM 0 HG3 ARG A 98 -15.149 10.317 10.510 1.00 0.00 H new ATOM 0 HD2 ARG A 98 -17.038 8.945 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 98 -15.616 8.441 8.969 1.00 0.00 H new ATOM 0 HE ARG A 98 -16.197 6.906 11.431 1.00 0.00 H new ATOM 0 HH11 ARG A 98 -16.606 7.141 7.922 1.00 0.00 H new ATOM 0 HH12 ARG A 98 -16.880 5.407 7.722 1.00 0.00 H new ATOM 0 HH21 ARG A 98 -16.542 4.669 11.147 1.00 0.00 H new ATOM 0 HH22 ARG A 98 -16.844 4.019 9.532 1.00 0.00 H new ATOM 1592 N ASP A 99 -13.176 8.992 7.359 1.00 0.00 N ATOM 1593 CA ASP A 99 -13.250 9.835 6.189 1.00 0.00 C ATOM 1594 C ASP A 99 -14.664 9.778 5.706 1.00 0.00 C ATOM 1595 O ASP A 99 -15.227 8.687 5.592 1.00 0.00 O ATOM 1596 CB ASP A 99 -12.298 9.321 5.094 1.00 0.00 C ATOM 1597 CG ASP A 99 -12.292 10.196 3.855 1.00 0.00 C ATOM 1598 OD1 ASP A 99 -11.532 11.198 3.827 1.00 0.00 O ATOM 1599 OD2 ASP A 99 -13.034 9.907 2.886 1.00 0.00 O ATOM 0 H ASP A 99 -13.119 7.997 7.141 1.00 0.00 H new ATOM 0 HA ASP A 99 -12.955 10.857 6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -11.287 9.264 5.497 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -12.587 8.308 4.815 1.00 0.00 H new ATOM 1604 N THR A 100 -15.256 10.895 5.451 1.00 0.00 N ATOM 1605 CA THR A 100 -16.635 10.893 5.098 1.00 0.00 C ATOM 1606 C THR A 100 -16.843 10.914 3.585 1.00 0.00 C ATOM 1607 O THR A 100 -17.104 9.869 2.980 1.00 0.00 O ATOM 1608 CB THR A 100 -17.374 12.042 5.804 1.00 0.00 C ATOM 1609 OG1 THR A 100 -16.998 12.027 7.191 1.00 0.00 O ATOM 1610 CG2 THR A 100 -18.885 11.870 5.711 1.00 0.00 C ATOM 0 H THR A 100 -14.812 11.813 5.480 1.00 0.00 H new ATOM 0 HA THR A 100 -17.068 9.955 5.447 1.00 0.00 H new ATOM 0 HB THR A 100 -17.104 12.982 5.323 1.00 0.00 H new ATOM 0 HG1 THR A 100 -17.457 12.754 7.662 1.00 0.00 H new ATOM 0 HG21 THR A 100 -19.378 12.699 6.220 1.00 0.00 H new ATOM 0 HG22 THR A 100 -19.186 11.857 4.663 1.00 0.00 H new ATOM 0 HG23 THR A 100 -19.174 10.931 6.183 1.00 0.00 H new ATOM 1618 N VAL A 101 -16.669 12.061 2.968 1.00 0.00 N ATOM 1619 CA VAL A 101 -16.965 12.224 1.554 1.00 0.00 C ATOM 1620 C VAL A 101 -15.928 13.097 0.869 1.00 0.00 C ATOM 1621 O VAL A 101 -15.282 13.942 1.519 1.00 0.00 O ATOM 1622 CB VAL A 101 -18.381 12.839 1.331 1.00 0.00 C ATOM 1623 CG1 VAL A 101 -19.471 11.858 1.724 1.00 0.00 C ATOM 1624 CG2 VAL A 101 -18.538 14.123 2.126 1.00 0.00 C ATOM 0 H VAL A 101 -16.321 12.904 3.424 1.00 0.00 H new ATOM 0 HA VAL A 101 -16.940 11.227 1.114 1.00 0.00 H new ATOM 0 HB VAL A 101 -18.480 13.063 0.269 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -20.447 12.313 1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -19.384 10.956 1.119 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -19.365 11.600 2.778 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -19.532 14.536 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -18.408 13.912 3.187 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -17.786 14.844 1.805 1.00 0.00 H new ATOM 1634 N GLU A 102 -15.770 12.874 -0.417 1.00 0.00 N ATOM 1635 CA GLU A 102 -14.868 13.612 -1.272 1.00 0.00 C ATOM 1636 C GLU A 102 -15.069 13.073 -2.685 1.00 0.00 C ATOM 1637 O GLU A 102 -14.257 12.241 -3.144 1.00 0.00 O ATOM 1638 CB GLU A 102 -13.395 13.417 -0.826 1.00 0.00 C ATOM 1639 CG GLU A 102 -12.388 14.315 -1.538 1.00 0.00 C ATOM 1640 CD GLU A 102 -12.607 15.777 -1.238 1.00 0.00 C ATOM 1641 OE1 GLU A 102 -12.057 16.283 -0.234 1.00 0.00 O ATOM 1642 OE2 GLU A 102 -13.324 16.457 -1.989 1.00 0.00 O ATOM 1643 OXT GLU A 102 -16.100 13.387 -3.304 1.00 0.00 O ATOM 0 H GLU A 102 -16.285 12.147 -0.914 1.00 0.00 H new ATOM 0 HA GLU A 102 -15.077 14.681 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -13.328 13.598 0.247 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -13.114 12.377 -0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -11.379 14.033 -1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -12.458 14.153 -2.614 1.00 0.00 H new TER 1650 GLU A 102