USER MOD reduce.3.24.130724 H: found=0, std=0, add=786, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 789 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 92 ASN : amide:sc= -0.569 K(o=-0.57,f=-4.4!) USER MOD Set 1.2: A 93 ASN : amide:sc= 0 X(o=-0.57,f=-0.66) USER MOD Set 2.1: A 19 ASN : amide:sc= -0.0125 X(o=-0.012,f=-0.49) USER MOD Set 2.2: A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 HIS :FLIP no HD1:sc= -1.16 F(o=-1.7,f=-1.2) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 49:sc= 0.0566 USER MOD Single : A 23 SER OG : rot 180:sc= -1.38 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.393 USER MOD Single : A 36 LYS NZ :NH3+ 170:sc=-6.91e-05 (180deg=-0.0782) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.348 F(o=-1.6,f=-0.35) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= -0.0518 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -158:sc= -0.0119 (180deg=-0.201) USER MOD Single : A 49 GLN : amide:sc= -2.11 K(o=-2.1,f=-4.3!) USER MOD Single : A 51 THR OG1 : rot 50:sc= 0.234 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.644 USER MOD Single : A 57 LYS NZ :NH3+ 151:sc= -0.267 (180deg=-1.06) USER MOD Single : A 58 MET CE :methyl 152:sc= -0.371 (180deg=-1.73!) USER MOD Single : A 59 MET CE :methyl 177:sc= -3.47 (180deg=-3.51) USER MOD Single : A 65 LYS NZ :NH3+ 173:sc= -0.221 (180deg=-0.445) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 88 MET CE :methyl 164:sc= -2.22! (180deg=-3.77) USER MOD Single : A 90 SER OG : rot 72:sc= 0.483 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 MET CE :methyl 140:sc= -0.605 (180deg=-2.05!) USER MOD Single : A 99 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.47!) USER MOD Single : A 101 LYS NZ :NH3+ 161:sc= -0.393 (180deg=-0.733) USER MOD Single : A 102 MET CE :methyl -136:sc= -3.26 (180deg=-4.2!) USER MOD Single : A 103 THR OG1 : rot 63:sc= 1.16 USER MOD Single : A 105 GLN : amide:sc= -0.92 X(o=-0.92,f=-1.3) USER MOD Single : A 106 GLN : amide:sc= -1.01 X(o=-1,f=-0.61) USER MOD Single : A 109 SER OG : rot -76:sc= 0.742 USER MOD Single : A 111 TYR OH : rot -83:sc= 1.15 USER MOD Single : A 112 LYS NZ :NH3+ -154:sc= -0.407 (180deg=-0.975) USER MOD Single : B 460 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 28 N HIS A 3 2.771 14.468 9.531 1.00 0.00 N ATOM 29 CA HIS A 3 2.897 13.137 8.948 1.00 0.00 C ATOM 30 C HIS A 3 2.000 12.138 9.673 1.00 0.00 C ATOM 31 O HIS A 3 2.476 11.315 10.455 1.00 0.00 O ATOM 32 CB HIS A 3 4.353 12.669 9.004 1.00 0.00 C ATOM 33 CG HIS A 3 5.256 13.409 8.066 1.00 0.00 C ATOM 34 ND1 HIS A 3 5.596 13.155 6.780 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 5.929 14.559 8.419 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 6.459 14.148 6.385 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 6.643 14.982 7.391 1.00 0.00 N flip ATOM 0 HA HIS A 3 2.580 13.192 7.906 1.00 0.00 H new ATOM 0 HB2 HIS A 3 4.725 12.786 10.022 1.00 0.00 H new ATOM 0 HB3 HIS A 3 4.393 11.605 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 3 5.880 15.039 9.385 1.00 0.00 H new ATOM 0 HE1 HIS A 3 6.913 14.233 5.409 1.00 0.00 H new ATOM 0 HE2 HIS A 3 7.236 15.812 7.377 1.00 0.00 H new ATOM 46 N SER A 4 0.701 12.217 9.408 1.00 0.00 N ATOM 47 CA SER A 4 -0.263 11.320 10.035 1.00 0.00 C ATOM 48 C SER A 4 -1.667 11.565 9.491 1.00 0.00 C ATOM 49 O SER A 4 -1.954 12.629 8.942 1.00 0.00 O ATOM 50 CB SER A 4 -0.252 11.507 11.553 1.00 0.00 C ATOM 51 OG SER A 4 -0.603 12.833 11.907 1.00 0.00 O ATOM 0 H SER A 4 0.291 12.893 8.763 1.00 0.00 H new ATOM 0 HA SER A 4 0.025 10.295 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.950 10.808 12.014 1.00 0.00 H new ATOM 0 HB3 SER A 4 0.738 11.273 11.944 1.00 0.00 H new ATOM 0 HG SER A 4 -0.590 12.925 12.883 1.00 0.00 H new ATOM 57 N GLY A 5 -2.538 10.573 9.647 1.00 0.00 N ATOM 58 CA GLY A 5 -3.901 10.702 9.166 1.00 0.00 C ATOM 59 C GLY A 5 -4.769 9.521 9.556 1.00 0.00 C ATOM 60 O GLY A 5 -4.291 8.389 9.631 1.00 0.00 O ATOM 0 H GLY A 5 -2.324 9.683 10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -4.338 11.617 9.565 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -3.892 10.799 8.080 1.00 0.00 H new ATOM 64 N ALA A 6 -6.047 9.786 9.804 1.00 0.00 N ATOM 65 CA ALA A 6 -6.984 8.738 10.189 1.00 0.00 C ATOM 66 C ALA A 6 -7.134 7.700 9.082 1.00 0.00 C ATOM 67 O ALA A 6 -7.921 7.879 8.152 1.00 0.00 O ATOM 68 CB ALA A 6 -8.337 9.342 10.535 1.00 0.00 C ATOM 0 H ALA A 6 -6.457 10.718 9.745 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.586 8.235 11.070 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.027 8.548 10.821 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.223 10.040 11.365 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.732 9.871 9.668 1.00 0.00 H new ATOM 74 N ALA A 7 -6.375 6.615 9.189 1.00 0.00 N ATOM 75 CA ALA A 7 -6.424 5.546 8.199 1.00 0.00 C ATOM 76 C ALA A 7 -6.990 4.266 8.804 1.00 0.00 C ATOM 77 O ALA A 7 -6.515 3.794 9.837 1.00 0.00 O ATOM 78 CB ALA A 7 -5.037 5.293 7.626 1.00 0.00 C ATOM 0 H ALA A 7 -5.718 6.453 9.952 1.00 0.00 H new ATOM 0 HA ALA A 7 -7.086 5.860 7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -5.089 4.492 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -4.669 6.202 7.150 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.359 5.003 8.429 1.00 0.00 H new ATOM 84 N ILE A 8 -8.008 3.710 8.155 1.00 0.00 N ATOM 85 CA ILE A 8 -8.638 2.485 8.632 1.00 0.00 C ATOM 86 C ILE A 8 -8.084 1.263 7.907 1.00 0.00 C ATOM 87 O ILE A 8 -8.247 1.120 6.696 1.00 0.00 O ATOM 88 CB ILE A 8 -10.167 2.529 8.444 1.00 0.00 C ATOM 89 CG1 ILE A 8 -10.737 3.826 9.022 1.00 0.00 C ATOM 90 CG2 ILE A 8 -10.818 1.320 9.100 1.00 0.00 C ATOM 91 CD1 ILE A 8 -10.532 5.028 8.127 1.00 0.00 C ATOM 0 H ILE A 8 -8.413 4.088 7.299 1.00 0.00 H new ATOM 0 HA ILE A 8 -8.412 2.407 9.695 1.00 0.00 H new ATOM 0 HB ILE A 8 -10.387 2.501 7.377 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -11.804 3.696 9.203 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -10.271 4.019 9.988 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -11.898 1.366 8.958 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -10.431 0.408 8.646 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -10.592 1.319 10.166 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -10.961 5.911 8.600 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -9.465 5.184 7.966 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -11.022 4.856 7.169 1.00 0.00 H new ATOM 103 N PHE A 9 -7.429 0.384 8.659 1.00 0.00 N ATOM 104 CA PHE A 9 -6.851 -0.828 8.091 1.00 0.00 C ATOM 105 C PHE A 9 -7.487 -2.071 8.704 1.00 0.00 C ATOM 106 O PHE A 9 -7.708 -2.135 9.913 1.00 0.00 O ATOM 107 CB PHE A 9 -5.338 -0.850 8.316 1.00 0.00 C ATOM 108 CG PHE A 9 -4.645 -1.990 7.625 1.00 0.00 C ATOM 109 CD1 PHE A 9 -4.732 -2.139 6.251 1.00 0.00 C ATOM 110 CD2 PHE A 9 -3.907 -2.911 8.351 1.00 0.00 C ATOM 111 CE1 PHE A 9 -4.095 -3.187 5.612 1.00 0.00 C ATOM 112 CE2 PHE A 9 -3.268 -3.961 7.718 1.00 0.00 C ATOM 113 CZ PHE A 9 -3.362 -4.099 6.347 1.00 0.00 C ATOM 0 H PHE A 9 -7.285 0.489 9.663 1.00 0.00 H new ATOM 0 HA PHE A 9 -7.051 -0.830 7.020 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -4.913 0.090 7.964 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -5.139 -0.909 9.386 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -5.304 -1.429 5.672 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -3.830 -2.807 9.423 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -4.170 -3.292 4.540 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -2.696 -4.673 8.295 1.00 0.00 H new ATOM 0 HZ PHE A 9 -2.863 -4.918 5.850 1.00 0.00 H new ATOM 123 N GLU A 10 -7.780 -3.056 7.862 1.00 0.00 N ATOM 124 CA GLU A 10 -8.392 -4.297 8.323 1.00 0.00 C ATOM 125 C GLU A 10 -9.749 -4.028 8.965 1.00 0.00 C ATOM 126 O GLU A 10 -10.157 -4.725 9.894 1.00 0.00 O ATOM 127 CB GLU A 10 -7.473 -5.004 9.321 1.00 0.00 C ATOM 128 CG GLU A 10 -6.065 -5.232 8.796 1.00 0.00 C ATOM 129 CD GLU A 10 -5.836 -6.661 8.344 1.00 0.00 C ATOM 130 OE1 GLU A 10 -6.492 -7.088 7.370 1.00 0.00 O ATOM 131 OE2 GLU A 10 -5.002 -7.354 8.964 1.00 0.00 O ATOM 0 H GLU A 10 -7.604 -3.019 6.858 1.00 0.00 H new ATOM 0 HA GLU A 10 -8.541 -4.943 7.458 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.420 -4.412 10.235 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -7.912 -5.965 9.589 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -5.879 -4.556 7.961 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.345 -4.982 9.576 1.00 0.00 H new ATOM 138 N LYS A 11 -10.444 -3.011 8.464 1.00 0.00 N ATOM 139 CA LYS A 11 -11.757 -2.648 8.987 1.00 0.00 C ATOM 140 C LYS A 11 -11.655 -2.171 10.432 1.00 0.00 C ATOM 141 O LYS A 11 -12.536 -2.441 11.249 1.00 0.00 O ATOM 142 CB LYS A 11 -12.715 -3.838 8.894 1.00 0.00 C ATOM 143 CG LYS A 11 -14.119 -3.455 8.451 1.00 0.00 C ATOM 144 CD LYS A 11 -15.075 -3.377 9.631 1.00 0.00 C ATOM 145 CE LYS A 11 -15.917 -4.637 9.750 1.00 0.00 C ATOM 146 NZ LYS A 11 -15.371 -5.576 10.769 1.00 0.00 N ATOM 0 H LYS A 11 -10.120 -2.423 7.696 1.00 0.00 H new ATOM 0 HA LYS A 11 -12.148 -1.830 8.381 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -12.308 -4.568 8.194 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -12.770 -4.326 9.867 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -14.090 -2.492 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -14.487 -4.187 7.731 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -14.509 -3.229 10.550 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -15.728 -2.512 9.515 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.939 -4.367 10.016 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -15.961 -5.137 8.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -15.974 -6.422 10.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -14.405 -5.854 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -15.353 -5.108 11.698 1.00 0.00 H new ATOM 160 N VAL A 12 -10.576 -1.458 10.741 1.00 0.00 N ATOM 161 CA VAL A 12 -10.362 -0.941 12.087 1.00 0.00 C ATOM 162 C VAL A 12 -9.989 0.537 12.053 1.00 0.00 C ATOM 163 O VAL A 12 -9.159 0.961 11.250 1.00 0.00 O ATOM 164 CB VAL A 12 -9.256 -1.723 12.822 1.00 0.00 C ATOM 165 CG1 VAL A 12 -9.123 -1.246 14.261 1.00 0.00 C ATOM 166 CG2 VAL A 12 -9.540 -3.216 12.774 1.00 0.00 C ATOM 0 H VAL A 12 -9.837 -1.226 10.077 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.301 -1.064 12.627 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.309 -1.536 12.315 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -8.337 -1.812 14.761 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.870 -0.186 14.271 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.067 -1.398 14.784 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -8.750 -3.754 13.298 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.497 -3.420 13.254 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.577 -3.546 11.736 1.00 0.00 H new ATOM 176 N SER A 13 -10.608 1.315 12.934 1.00 0.00 N ATOM 177 CA SER A 13 -10.343 2.747 13.008 1.00 0.00 C ATOM 178 C SER A 13 -9.048 3.020 13.766 1.00 0.00 C ATOM 179 O SER A 13 -9.001 2.915 14.991 1.00 0.00 O ATOM 180 CB SER A 13 -11.508 3.467 13.689 1.00 0.00 C ATOM 181 OG SER A 13 -12.030 2.697 14.758 1.00 0.00 O ATOM 0 H SER A 13 -11.297 0.978 13.607 1.00 0.00 H new ATOM 0 HA SER A 13 -10.235 3.126 11.992 1.00 0.00 H new ATOM 0 HB2 SER A 13 -11.173 4.434 14.064 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.294 3.663 12.960 1.00 0.00 H new ATOM 0 HG SER A 13 -11.295 2.389 15.329 1.00 0.00 H new ATOM 187 N GLY A 14 -8.000 3.371 13.028 1.00 0.00 N ATOM 188 CA GLY A 14 -6.719 3.653 13.648 1.00 0.00 C ATOM 189 C GLY A 14 -6.056 4.890 13.075 1.00 0.00 C ATOM 190 O GLY A 14 -6.649 5.601 12.264 1.00 0.00 O ATOM 0 H GLY A 14 -8.015 3.465 12.012 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.859 3.784 14.721 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.058 2.796 13.515 1.00 0.00 H new ATOM 194 N ILE A 15 -4.822 5.147 13.498 1.00 0.00 N ATOM 195 CA ILE A 15 -4.077 6.306 13.022 1.00 0.00 C ATOM 196 C ILE A 15 -2.788 5.883 12.327 1.00 0.00 C ATOM 197 O ILE A 15 -1.949 5.201 12.914 1.00 0.00 O ATOM 198 CB ILE A 15 -3.733 7.266 14.177 1.00 0.00 C ATOM 199 CG1 ILE A 15 -4.978 7.559 15.015 1.00 0.00 C ATOM 200 CG2 ILE A 15 -3.137 8.556 13.635 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.098 8.205 14.229 1.00 0.00 C ATOM 0 H ILE A 15 -4.318 4.568 14.169 1.00 0.00 H new ATOM 0 HA ILE A 15 -4.719 6.823 12.309 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.992 6.788 14.817 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -5.341 6.628 15.450 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.703 8.212 15.843 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.900 9.223 14.463 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -2.227 8.331 13.078 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.856 9.040 12.974 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.948 8.384 14.887 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.753 9.153 13.816 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.401 7.544 13.417 1.00 0.00 H new ATOM 213 N ILE A 16 -2.636 6.295 11.072 1.00 0.00 N ATOM 214 CA ILE A 16 -1.449 5.960 10.296 1.00 0.00 C ATOM 215 C ILE A 16 -0.481 7.141 10.251 1.00 0.00 C ATOM 216 O ILE A 16 -0.847 8.243 9.841 1.00 0.00 O ATOM 217 CB ILE A 16 -1.831 5.519 8.857 1.00 0.00 C ATOM 218 CG1 ILE A 16 -1.730 3.999 8.727 1.00 0.00 C ATOM 219 CG2 ILE A 16 -0.955 6.194 7.808 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.473 3.444 7.532 1.00 0.00 C ATOM 0 H ILE A 16 -3.321 6.862 10.572 1.00 0.00 H new ATOM 0 HA ILE A 16 -0.953 5.124 10.789 1.00 0.00 H new ATOM 0 HB ILE A 16 -2.861 5.829 8.679 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.679 3.718 8.654 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.121 3.538 9.634 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.254 5.859 6.815 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -1.072 7.275 7.877 1.00 0.00 H new ATOM 0 HG23 ILE A 16 0.088 5.931 7.981 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -2.358 2.361 7.503 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.531 3.694 7.613 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.067 3.877 6.618 1.00 0.00 H new ATOM 232 N ALA A 17 0.756 6.901 10.674 1.00 0.00 N ATOM 233 CA ALA A 17 1.777 7.941 10.682 1.00 0.00 C ATOM 234 C ALA A 17 3.106 7.407 10.159 1.00 0.00 C ATOM 235 O ALA A 17 3.585 6.363 10.601 1.00 0.00 O ATOM 236 CB ALA A 17 1.948 8.501 12.086 1.00 0.00 C ATOM 0 H ALA A 17 1.075 5.995 11.016 1.00 0.00 H new ATOM 0 HA ALA A 17 1.450 8.743 10.020 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.714 9.277 12.078 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.004 8.927 12.425 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.249 7.701 12.762 1.00 0.00 H new ATOM 242 N ILE A 18 3.697 8.130 9.213 1.00 0.00 N ATOM 243 CA ILE A 18 4.970 7.728 8.628 1.00 0.00 C ATOM 244 C ILE A 18 6.143 8.300 9.417 1.00 0.00 C ATOM 245 O ILE A 18 6.146 9.477 9.778 1.00 0.00 O ATOM 246 CB ILE A 18 5.083 8.182 7.161 1.00 0.00 C ATOM 247 CG1 ILE A 18 3.825 7.791 6.384 1.00 0.00 C ATOM 248 CG2 ILE A 18 6.321 7.579 6.513 1.00 0.00 C ATOM 249 CD1 ILE A 18 3.855 8.214 4.932 1.00 0.00 C ATOM 0 H ILE A 18 3.314 8.997 8.836 1.00 0.00 H new ATOM 0 HA ILE A 18 5.005 6.639 8.667 1.00 0.00 H new ATOM 0 HB ILE A 18 5.178 9.268 7.139 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.697 6.710 6.436 1.00 0.00 H new ATOM 0 HG13 ILE A 18 2.956 8.239 6.866 1.00 0.00 H new ATOM 0 HG21 ILE A 18 6.387 7.909 5.476 1.00 0.00 H new ATOM 0 HG22 ILE A 18 7.210 7.904 7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 18 6.255 6.491 6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.931 7.904 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 18 3.952 9.298 4.871 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.704 7.745 4.434 1.00 0.00 H new ATOM 261 N ASN A 19 7.138 7.459 9.681 1.00 0.00 N ATOM 262 CA ASN A 19 8.317 7.881 10.427 1.00 0.00 C ATOM 263 C ASN A 19 9.515 8.051 9.498 1.00 0.00 C ATOM 264 O ASN A 19 9.952 7.098 8.852 1.00 0.00 O ATOM 265 CB ASN A 19 8.646 6.864 11.521 1.00 0.00 C ATOM 266 CG ASN A 19 7.658 6.912 12.671 1.00 0.00 C ATOM 267 OD1 ASN A 19 7.248 7.988 13.107 1.00 0.00 O ATOM 268 ND2 ASN A 19 7.272 5.744 13.169 1.00 0.00 N ATOM 0 H ASN A 19 7.151 6.482 9.389 1.00 0.00 H new ATOM 0 HA ASN A 19 8.098 8.843 10.890 1.00 0.00 H new ATOM 0 HB2 ASN A 19 8.652 5.862 11.092 1.00 0.00 H new ATOM 0 HB3 ASN A 19 9.650 7.054 11.900 1.00 0.00 H new ATOM 0 HD21 ASN A 19 6.610 5.714 13.944 1.00 0.00 H new ATOM 0 HD22 ASN A 19 7.638 4.876 12.777 1.00 0.00 H new ATOM 275 N GLU A 20 10.041 9.270 9.436 1.00 0.00 N ATOM 276 CA GLU A 20 11.188 9.565 8.585 1.00 0.00 C ATOM 277 C GLU A 20 12.466 9.675 9.411 1.00 0.00 C ATOM 278 O GLU A 20 13.386 10.410 9.054 1.00 0.00 O ATOM 279 CB GLU A 20 10.955 10.863 7.811 1.00 0.00 C ATOM 280 CG GLU A 20 9.843 10.764 6.779 1.00 0.00 C ATOM 281 CD GLU A 20 9.036 12.043 6.668 1.00 0.00 C ATOM 282 OE1 GLU A 20 8.177 12.282 7.543 1.00 0.00 O ATOM 283 OE2 GLU A 20 9.263 12.806 5.705 1.00 0.00 O ATOM 0 H GLU A 20 9.691 10.069 9.965 1.00 0.00 H new ATOM 0 HA GLU A 20 11.304 8.744 7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.715 11.659 8.516 1.00 0.00 H new ATOM 0 HB3 GLU A 20 11.880 11.149 7.310 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.274 10.525 5.807 1.00 0.00 H new ATOM 0 HG3 GLU A 20 9.179 9.941 7.044 1.00 0.00 H new ATOM 290 N ASP A 21 12.517 8.938 10.516 1.00 0.00 N ATOM 291 CA ASP A 21 13.683 8.952 11.391 1.00 0.00 C ATOM 292 C ASP A 21 14.672 7.861 10.994 1.00 0.00 C ATOM 293 O ASP A 21 15.883 8.018 11.152 1.00 0.00 O ATOM 294 CB ASP A 21 13.257 8.765 12.848 1.00 0.00 C ATOM 295 CG ASP A 21 12.624 10.014 13.430 1.00 0.00 C ATOM 296 OD1 ASP A 21 11.932 10.734 12.679 1.00 0.00 O ATOM 297 OD2 ASP A 21 12.819 10.273 14.636 1.00 0.00 O ATOM 0 H ASP A 21 11.764 8.324 10.826 1.00 0.00 H new ATOM 0 HA ASP A 21 14.174 9.920 11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.550 7.938 12.914 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.126 8.489 13.445 1.00 0.00 H new ATOM 302 N VAL A 22 14.147 6.755 10.477 1.00 0.00 N ATOM 303 CA VAL A 22 14.980 5.636 10.056 1.00 0.00 C ATOM 304 C VAL A 22 15.281 5.714 8.560 1.00 0.00 C ATOM 305 O VAL A 22 14.461 6.191 7.776 1.00 0.00 O ATOM 306 CB VAL A 22 14.308 4.287 10.381 1.00 0.00 C ATOM 307 CG1 VAL A 22 13.002 4.137 9.616 1.00 0.00 C ATOM 308 CG2 VAL A 22 15.249 3.129 10.084 1.00 0.00 C ATOM 0 H VAL A 22 13.147 6.610 10.340 1.00 0.00 H new ATOM 0 HA VAL A 22 15.917 5.701 10.610 1.00 0.00 H new ATOM 0 HB VAL A 22 14.079 4.269 11.446 1.00 0.00 H new ATOM 0 HG11 VAL A 22 12.545 3.178 9.861 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.323 4.944 9.893 1.00 0.00 H new ATOM 0 HG13 VAL A 22 13.200 4.182 8.545 1.00 0.00 H new ATOM 0 HG21 VAL A 22 14.753 2.188 10.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 15.519 3.141 9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 22 16.150 3.227 10.690 1.00 0.00 H new ATOM 318 N SER A 23 16.469 5.254 8.174 1.00 0.00 N ATOM 319 CA SER A 23 16.889 5.284 6.773 1.00 0.00 C ATOM 320 C SER A 23 15.830 4.673 5.851 1.00 0.00 C ATOM 321 O SER A 23 15.234 5.376 5.035 1.00 0.00 O ATOM 322 CB SER A 23 18.224 4.553 6.602 1.00 0.00 C ATOM 323 OG SER A 23 18.506 3.733 7.723 1.00 0.00 O ATOM 0 H SER A 23 17.159 4.856 8.811 1.00 0.00 H new ATOM 0 HA SER A 23 17.014 6.329 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 23 18.194 3.942 5.700 1.00 0.00 H new ATOM 0 HB3 SER A 23 19.025 5.280 6.469 1.00 0.00 H new ATOM 0 HG SER A 23 19.363 3.277 7.587 1.00 0.00 H new ATOM 329 N PRO A 24 15.580 3.355 5.962 1.00 0.00 N ATOM 330 CA PRO A 24 14.588 2.668 5.126 1.00 0.00 C ATOM 331 C PRO A 24 13.180 3.234 5.297 1.00 0.00 C ATOM 332 O PRO A 24 12.302 2.991 4.470 1.00 0.00 O ATOM 333 CB PRO A 24 14.644 1.212 5.609 1.00 0.00 C ATOM 334 CG PRO A 24 15.288 1.271 6.951 1.00 0.00 C ATOM 335 CD PRO A 24 16.238 2.432 6.901 1.00 0.00 C ATOM 0 HA PRO A 24 14.811 2.785 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 24 13.646 0.778 5.670 1.00 0.00 H new ATOM 0 HB3 PRO A 24 15.220 0.591 4.923 1.00 0.00 H new ATOM 0 HG2 PRO A 24 14.544 1.409 7.736 1.00 0.00 H new ATOM 0 HG3 PRO A 24 15.816 0.343 7.172 1.00 0.00 H new ATOM 0 HD2 PRO A 24 16.375 2.885 7.883 1.00 0.00 H new ATOM 0 HD3 PRO A 24 17.225 2.132 6.548 1.00 0.00 H new ATOM 343 N ALA A 25 12.970 3.989 6.372 1.00 0.00 N ATOM 344 CA ALA A 25 11.666 4.585 6.643 1.00 0.00 C ATOM 345 C ALA A 25 10.613 3.511 6.890 1.00 0.00 C ATOM 346 O ALA A 25 10.679 2.420 6.324 1.00 0.00 O ATOM 347 CB ALA A 25 11.245 5.484 5.490 1.00 0.00 C ATOM 0 H ALA A 25 13.685 4.202 7.068 1.00 0.00 H new ATOM 0 HA ALA A 25 11.751 5.189 7.547 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.270 5.921 5.707 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.979 6.279 5.362 1.00 0.00 H new ATOM 0 HB3 ALA A 25 11.183 4.896 4.574 1.00 0.00 H new ATOM 353 N GLU A 26 9.641 3.826 7.740 1.00 0.00 N ATOM 354 CA GLU A 26 8.573 2.887 8.063 1.00 0.00 C ATOM 355 C GLU A 26 7.324 3.623 8.537 1.00 0.00 C ATOM 356 O GLU A 26 7.403 4.751 9.022 1.00 0.00 O ATOM 357 CB GLU A 26 9.038 1.903 9.137 1.00 0.00 C ATOM 358 CG GLU A 26 9.380 2.565 10.462 1.00 0.00 C ATOM 359 CD GLU A 26 9.151 1.649 11.648 1.00 0.00 C ATOM 360 OE1 GLU A 26 9.668 0.512 11.628 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.453 2.067 12.596 1.00 0.00 O ATOM 0 H GLU A 26 9.571 4.725 8.218 1.00 0.00 H new ATOM 0 HA GLU A 26 8.324 2.334 7.157 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.256 1.162 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.914 1.367 8.772 1.00 0.00 H new ATOM 0 HG2 GLU A 26 10.423 2.881 10.448 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.776 3.465 10.581 1.00 0.00 H new ATOM 368 N LEU A 27 6.172 2.975 8.394 1.00 0.00 N ATOM 369 CA LEU A 27 4.905 3.566 8.808 1.00 0.00 C ATOM 370 C LEU A 27 4.329 2.824 10.010 1.00 0.00 C ATOM 371 O LEU A 27 4.522 1.617 10.159 1.00 0.00 O ATOM 372 CB LEU A 27 3.907 3.541 7.647 1.00 0.00 C ATOM 373 CG LEU A 27 2.488 3.991 8.000 1.00 0.00 C ATOM 374 CD1 LEU A 27 1.824 4.648 6.800 1.00 0.00 C ATOM 375 CD2 LEU A 27 1.663 2.810 8.490 1.00 0.00 C ATOM 0 H LEU A 27 6.090 2.040 7.994 1.00 0.00 H new ATOM 0 HA LEU A 27 5.088 4.601 9.098 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.286 4.180 6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.861 2.527 7.249 1.00 0.00 H new ATOM 0 HG LEU A 27 2.547 4.726 8.803 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.815 4.962 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.405 5.518 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.775 3.936 5.976 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.656 3.147 8.737 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.611 2.053 7.707 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.130 2.383 9.377 1.00 0.00 H new ATOM 387 N THR A 28 3.621 3.554 10.866 1.00 0.00 N ATOM 388 CA THR A 28 3.017 2.966 12.056 1.00 0.00 C ATOM 389 C THR A 28 1.504 3.163 12.053 1.00 0.00 C ATOM 390 O THR A 28 1.006 4.217 11.657 1.00 0.00 O ATOM 391 CB THR A 28 3.620 3.583 13.319 1.00 0.00 C ATOM 392 OG1 THR A 28 5.022 3.736 13.182 1.00 0.00 O ATOM 393 CG2 THR A 28 3.368 2.762 14.565 1.00 0.00 C ATOM 0 H THR A 28 3.452 4.554 10.758 1.00 0.00 H new ATOM 0 HA THR A 28 3.226 1.896 12.047 1.00 0.00 H new ATOM 0 HB THR A 28 3.126 4.548 13.433 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.389 4.134 13.999 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.822 3.256 15.424 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.294 2.667 14.727 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.806 1.771 14.443 1.00 0.00 H new ATOM 401 N TRP A 29 0.779 2.142 12.498 1.00 0.00 N ATOM 402 CA TRP A 29 -0.677 2.202 12.548 1.00 0.00 C ATOM 403 C TRP A 29 -1.196 1.685 13.886 1.00 0.00 C ATOM 404 O TRP A 29 -1.074 0.500 14.195 1.00 0.00 O ATOM 405 CB TRP A 29 -1.282 1.388 11.401 1.00 0.00 C ATOM 406 CG TRP A 29 -2.780 1.353 11.418 1.00 0.00 C ATOM 407 CD1 TRP A 29 -3.627 2.419 11.321 1.00 0.00 C ATOM 408 CD2 TRP A 29 -3.609 0.191 11.543 1.00 0.00 C ATOM 409 NE1 TRP A 29 -4.932 1.992 11.377 1.00 0.00 N ATOM 410 CE2 TRP A 29 -4.947 0.628 11.513 1.00 0.00 C ATOM 411 CE3 TRP A 29 -3.350 -1.176 11.676 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -6.021 -0.253 11.612 1.00 0.00 C ATOM 413 CZ3 TRP A 29 -4.416 -2.050 11.774 1.00 0.00 C ATOM 414 CH2 TRP A 29 -5.737 -1.585 11.741 1.00 0.00 C ATOM 0 H TRP A 29 1.176 1.263 12.829 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.978 3.244 12.441 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -0.947 1.807 10.452 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -0.902 0.368 11.450 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.317 3.448 11.216 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.755 2.592 11.326 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.335 -1.543 11.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -7.041 0.102 11.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.228 -3.108 11.878 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.549 -2.293 11.819 1.00 0.00 H new ATOM 425 N ARG A 30 -1.777 2.583 14.676 1.00 0.00 N ATOM 426 CA ARG A 30 -2.317 2.218 15.981 1.00 0.00 C ATOM 427 C ARG A 30 -3.824 2.449 16.028 1.00 0.00 C ATOM 428 O ARG A 30 -4.314 3.499 15.613 1.00 0.00 O ATOM 429 CB ARG A 30 -1.630 3.025 17.084 1.00 0.00 C ATOM 430 CG ARG A 30 -1.708 4.529 16.877 1.00 0.00 C ATOM 431 CD ARG A 30 -1.819 5.268 18.200 1.00 0.00 C ATOM 432 NE ARG A 30 -1.293 6.628 18.113 1.00 0.00 N ATOM 433 CZ ARG A 30 -1.017 7.386 19.173 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.215 6.920 20.400 1.00 0.00 N ATOM 435 NH2 ARG A 30 -0.541 8.612 19.005 1.00 0.00 N ATOM 0 H ARG A 30 -1.886 3.568 14.435 1.00 0.00 H new ATOM 0 HA ARG A 30 -2.125 1.158 16.144 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.085 2.775 18.042 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -0.583 2.728 17.141 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.822 4.870 16.342 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.569 4.767 16.253 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.864 5.302 18.509 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.277 4.718 18.969 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.127 7.020 17.186 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.580 5.977 20.535 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.002 7.505 21.208 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.386 8.975 18.064 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.330 9.193 19.817 1.00 0.00 H new ATOM 449 N SER A 31 -4.554 1.462 16.537 1.00 0.00 N ATOM 450 CA SER A 31 -6.006 1.560 16.638 1.00 0.00 C ATOM 451 C SER A 31 -6.412 2.757 17.491 1.00 0.00 C ATOM 452 O SER A 31 -5.775 3.058 18.500 1.00 0.00 O ATOM 453 CB SER A 31 -6.585 0.274 17.231 1.00 0.00 C ATOM 454 OG SER A 31 -7.900 0.482 17.717 1.00 0.00 O ATOM 0 H SER A 31 -4.165 0.586 16.886 1.00 0.00 H new ATOM 0 HA SER A 31 -6.407 1.700 15.634 1.00 0.00 H new ATOM 0 HB2 SER A 31 -6.594 -0.508 16.472 1.00 0.00 H new ATOM 0 HB3 SER A 31 -5.946 -0.076 18.041 1.00 0.00 H new ATOM 0 HG SER A 31 -8.248 -0.355 18.089 1.00 0.00 H new ATOM 460 N THR A 32 -7.476 3.437 17.077 1.00 0.00 N ATOM 461 CA THR A 32 -7.968 4.603 17.801 1.00 0.00 C ATOM 462 C THR A 32 -8.406 4.224 19.212 1.00 0.00 C ATOM 463 O THR A 32 -7.789 4.633 20.195 1.00 0.00 O ATOM 464 CB THR A 32 -9.134 5.243 17.047 1.00 0.00 C ATOM 465 OG1 THR A 32 -8.811 5.420 15.679 1.00 0.00 O ATOM 466 CG2 THR A 32 -9.538 6.592 17.602 1.00 0.00 C ATOM 0 H THR A 32 -8.014 3.200 16.243 1.00 0.00 H new ATOM 0 HA THR A 32 -7.153 5.323 17.875 1.00 0.00 H new ATOM 0 HB THR A 32 -9.969 4.553 17.169 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.570 5.829 15.214 1.00 0.00 H new ATOM 0 HG21 THR A 32 -10.370 6.990 17.021 1.00 0.00 H new ATOM 0 HG22 THR A 32 -9.842 6.481 18.643 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.693 7.278 17.542 1.00 0.00 H new ATOM 474 N ASP A 33 -9.474 3.439 19.303 1.00 0.00 N ATOM 475 CA ASP A 33 -9.996 3.004 20.594 1.00 0.00 C ATOM 476 C ASP A 33 -9.902 1.488 20.736 1.00 0.00 C ATOM 477 O ASP A 33 -10.879 0.773 20.515 1.00 0.00 O ATOM 478 CB ASP A 33 -11.448 3.454 20.760 1.00 0.00 C ATOM 479 CG ASP A 33 -11.804 3.741 22.205 1.00 0.00 C ATOM 480 OD1 ASP A 33 -11.228 3.086 23.099 1.00 0.00 O ATOM 481 OD2 ASP A 33 -12.658 4.620 22.443 1.00 0.00 O ATOM 0 H ASP A 33 -9.995 3.091 18.498 1.00 0.00 H new ATOM 0 HA ASP A 33 -9.390 3.463 21.375 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.618 4.349 20.162 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.111 2.681 20.372 1.00 0.00 H new ATOM 486 N GLY A 34 -8.721 1.005 21.105 1.00 0.00 N ATOM 487 CA GLY A 34 -8.522 -0.423 21.270 1.00 0.00 C ATOM 488 C GLY A 34 -7.140 -0.760 21.794 1.00 0.00 C ATOM 489 O GLY A 34 -6.668 -0.151 22.754 1.00 0.00 O ATOM 0 H GLY A 34 -7.898 1.577 21.293 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.273 -0.814 21.957 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -8.675 -0.921 20.313 1.00 0.00 H new ATOM 493 N ASP A 35 -6.491 -1.732 21.163 1.00 0.00 N ATOM 494 CA ASP A 35 -5.155 -2.150 21.572 1.00 0.00 C ATOM 495 C ASP A 35 -4.469 -2.941 20.463 1.00 0.00 C ATOM 496 O ASP A 35 -3.732 -3.890 20.728 1.00 0.00 O ATOM 497 CB ASP A 35 -5.228 -2.993 22.846 1.00 0.00 C ATOM 498 CG ASP A 35 -5.339 -2.144 24.096 1.00 0.00 C ATOM 499 OD1 ASP A 35 -4.384 -1.395 24.392 1.00 0.00 O ATOM 500 OD2 ASP A 35 -6.381 -2.227 24.781 1.00 0.00 O ATOM 0 H ASP A 35 -6.868 -2.245 20.366 1.00 0.00 H new ATOM 0 HA ASP A 35 -4.567 -1.254 21.772 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.087 -3.662 22.787 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.339 -3.621 22.914 1.00 0.00 H new ATOM 505 N LYS A 36 -4.718 -2.544 19.219 1.00 0.00 N ATOM 506 CA LYS A 36 -4.124 -3.216 18.069 1.00 0.00 C ATOM 507 C LYS A 36 -3.313 -2.238 17.226 1.00 0.00 C ATOM 508 O LYS A 36 -3.850 -1.265 16.696 1.00 0.00 O ATOM 509 CB LYS A 36 -5.214 -3.864 17.212 1.00 0.00 C ATOM 510 CG LYS A 36 -5.582 -5.270 17.656 1.00 0.00 C ATOM 511 CD LYS A 36 -7.047 -5.573 17.388 1.00 0.00 C ATOM 512 CE LYS A 36 -7.430 -6.957 17.887 1.00 0.00 C ATOM 513 NZ LYS A 36 -7.435 -7.029 19.374 1.00 0.00 N ATOM 0 H LYS A 36 -5.327 -1.761 18.982 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.453 -3.991 18.439 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.106 -3.238 17.240 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.879 -3.896 16.175 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -4.958 -5.993 17.131 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -5.375 -5.383 18.720 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.670 -4.824 17.877 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.244 -5.503 16.318 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.418 -7.219 17.507 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -6.730 -7.693 17.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.861 -7.928 19.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.459 -6.972 19.728 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.989 -6.237 19.758 1.00 0.00 H new ATOM 527 N VAL A 37 -2.016 -2.503 17.105 1.00 0.00 N ATOM 528 CA VAL A 37 -1.131 -1.646 16.327 1.00 0.00 C ATOM 529 C VAL A 37 -0.202 -2.474 15.443 1.00 0.00 C ATOM 530 O VAL A 37 0.305 -3.515 15.862 1.00 0.00 O ATOM 531 CB VAL A 37 -0.285 -0.735 17.240 1.00 0.00 C ATOM 532 CG1 VAL A 37 0.622 -1.564 18.137 1.00 0.00 C ATOM 533 CG2 VAL A 37 0.527 0.250 16.411 1.00 0.00 C ATOM 0 H VAL A 37 -1.555 -3.305 17.536 1.00 0.00 H new ATOM 0 HA VAL A 37 -1.765 -1.023 15.696 1.00 0.00 H new ATOM 0 HB VAL A 37 -0.962 -0.166 17.877 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.210 -0.901 18.772 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.015 -2.221 18.760 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.292 -2.165 17.522 1.00 0.00 H new ATOM 0 HG21 VAL A 37 1.117 0.884 17.073 1.00 0.00 H new ATOM 0 HG22 VAL A 37 1.193 -0.298 15.745 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.147 0.871 15.820 1.00 0.00 H new ATOM 543 N HIS A 38 0.016 -2.005 14.219 1.00 0.00 N ATOM 544 CA HIS A 38 0.884 -2.702 13.277 1.00 0.00 C ATOM 545 C HIS A 38 1.834 -1.727 12.589 1.00 0.00 C ATOM 546 O HIS A 38 1.511 -0.553 12.407 1.00 0.00 O ATOM 547 CB HIS A 38 0.047 -3.440 12.230 1.00 0.00 C ATOM 548 CG HIS A 38 0.854 -4.329 11.337 1.00 0.00 C ATOM 549 ND1 HIS A 38 1.684 -4.034 10.307 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 0.864 -5.703 11.452 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 2.173 -5.223 9.826 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 1.665 -6.215 10.534 1.00 0.00 N flip ATOM 0 H HIS A 38 -0.396 -1.145 13.856 1.00 0.00 H new ATOM 0 HA HIS A 38 1.477 -3.427 13.835 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -0.709 -4.039 12.738 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -0.482 -2.709 11.619 1.00 0.00 H new ATOM 0 HD2 HIS A 38 0.304 -6.272 12.179 1.00 0.00 H new ATOM 0 HE1 HIS A 38 2.862 -5.330 9.001 1.00 0.00 H new ATOM 0 HE2 HIS A 38 1.858 -7.207 10.396 1.00 0.00 H new ATOM 561 N THR A 39 3.008 -2.221 12.209 1.00 0.00 N ATOM 562 CA THR A 39 4.006 -1.393 11.542 1.00 0.00 C ATOM 563 C THR A 39 4.442 -2.022 10.222 1.00 0.00 C ATOM 564 O THR A 39 4.479 -3.246 10.088 1.00 0.00 O ATOM 565 CB THR A 39 5.221 -1.192 12.449 1.00 0.00 C ATOM 566 OG1 THR A 39 4.832 -1.171 13.811 1.00 0.00 O ATOM 567 CG2 THR A 39 5.973 0.091 12.166 1.00 0.00 C ATOM 0 H THR A 39 3.291 -3.190 12.352 1.00 0.00 H new ATOM 0 HA THR A 39 3.554 -0.424 11.330 1.00 0.00 H new ATOM 0 HB THR A 39 5.880 -2.034 12.240 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.623 -1.043 14.375 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.823 0.172 12.844 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.330 0.084 11.136 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.309 0.942 12.314 1.00 0.00 H new ATOM 575 N VAL A 40 4.771 -1.178 9.250 1.00 0.00 N ATOM 576 CA VAL A 40 5.204 -1.651 7.941 1.00 0.00 C ATOM 577 C VAL A 40 6.318 -0.771 7.380 1.00 0.00 C ATOM 578 O VAL A 40 6.261 0.455 7.475 1.00 0.00 O ATOM 579 CB VAL A 40 4.031 -1.684 6.940 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.460 -0.289 6.734 1.00 0.00 C ATOM 581 CG2 VAL A 40 4.474 -2.289 5.615 1.00 0.00 C ATOM 0 H VAL A 40 4.746 -0.163 9.344 1.00 0.00 H new ATOM 0 HA VAL A 40 5.582 -2.664 8.077 1.00 0.00 H new ATOM 0 HB VAL A 40 3.244 -2.314 7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.634 -0.335 6.024 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.099 0.101 7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.237 0.368 6.344 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.633 -2.304 4.922 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.281 -1.690 5.193 1.00 0.00 H new ATOM 0 HG23 VAL A 40 4.826 -3.307 5.780 1.00 0.00 H new ATOM 591 N VAL A 41 7.329 -1.406 6.797 1.00 0.00 N ATOM 592 CA VAL A 41 8.456 -0.681 6.221 1.00 0.00 C ATOM 593 C VAL A 41 8.091 -0.086 4.866 1.00 0.00 C ATOM 594 O VAL A 41 7.492 -0.755 4.024 1.00 0.00 O ATOM 595 CB VAL A 41 9.685 -1.593 6.055 1.00 0.00 C ATOM 596 CG1 VAL A 41 10.902 -0.780 5.642 1.00 0.00 C ATOM 597 CG2 VAL A 41 9.958 -2.361 7.339 1.00 0.00 C ATOM 0 H VAL A 41 7.391 -2.420 6.711 1.00 0.00 H new ATOM 0 HA VAL A 41 8.702 0.124 6.914 1.00 0.00 H new ATOM 0 HB VAL A 41 9.475 -2.315 5.266 1.00 0.00 H new ATOM 0 HG11 VAL A 41 11.761 -1.442 5.530 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.702 -0.281 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 41 11.117 -0.033 6.406 1.00 0.00 H new ATOM 0 HG21 VAL A 41 10.830 -3.000 7.202 1.00 0.00 H new ATOM 0 HG22 VAL A 41 10.147 -1.658 8.150 1.00 0.00 H new ATOM 0 HG23 VAL A 41 9.093 -2.976 7.586 1.00 0.00 H new ATOM 607 N LEU A 42 8.455 1.176 4.662 1.00 0.00 N ATOM 608 CA LEU A 42 8.166 1.862 3.408 1.00 0.00 C ATOM 609 C LEU A 42 9.181 1.487 2.332 1.00 0.00 C ATOM 610 O LEU A 42 8.873 1.508 1.140 1.00 0.00 O ATOM 611 CB LEU A 42 8.166 3.377 3.620 1.00 0.00 C ATOM 612 CG LEU A 42 6.939 3.928 4.347 1.00 0.00 C ATOM 613 CD1 LEU A 42 7.004 5.445 4.428 1.00 0.00 C ATOM 614 CD2 LEU A 42 5.662 3.484 3.650 1.00 0.00 C ATOM 0 H LEU A 42 8.951 1.744 5.349 1.00 0.00 H new ATOM 0 HA LEU A 42 7.178 1.548 3.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.057 3.650 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 42 8.243 3.865 2.648 1.00 0.00 H new ATOM 0 HG LEU A 42 6.932 3.530 5.362 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.123 5.820 4.949 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.900 5.742 4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.036 5.862 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.799 3.885 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.660 3.853 2.624 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.610 2.395 3.644 1.00 0.00 H new ATOM 626 N SER A 43 10.394 1.145 2.759 1.00 0.00 N ATOM 627 CA SER A 43 11.453 0.766 1.830 1.00 0.00 C ATOM 628 C SER A 43 11.021 -0.407 0.956 1.00 0.00 C ATOM 629 O SER A 43 11.299 -0.436 -0.243 1.00 0.00 O ATOM 630 CB SER A 43 12.726 0.403 2.597 1.00 0.00 C ATOM 631 OG SER A 43 12.659 -0.921 3.099 1.00 0.00 O ATOM 0 H SER A 43 10.667 1.123 3.742 1.00 0.00 H new ATOM 0 HA SER A 43 11.656 1.620 1.184 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.591 0.503 1.941 1.00 0.00 H new ATOM 0 HB3 SER A 43 12.869 1.101 3.422 1.00 0.00 H new ATOM 0 HG SER A 43 13.485 -1.129 3.584 1.00 0.00 H new ATOM 637 N THR A 44 10.339 -1.371 1.564 1.00 0.00 N ATOM 638 CA THR A 44 9.867 -2.547 0.841 1.00 0.00 C ATOM 639 C THR A 44 8.900 -2.154 -0.273 1.00 0.00 C ATOM 640 O THR A 44 8.743 -2.879 -1.255 1.00 0.00 O ATOM 641 CB THR A 44 9.186 -3.522 1.802 1.00 0.00 C ATOM 642 OG1 THR A 44 8.814 -4.712 1.129 1.00 0.00 O ATOM 643 CG2 THR A 44 7.942 -2.954 2.450 1.00 0.00 C ATOM 0 H THR A 44 10.100 -1.362 2.556 1.00 0.00 H new ATOM 0 HA THR A 44 10.731 -3.034 0.390 1.00 0.00 H new ATOM 0 HB THR A 44 9.923 -3.721 2.580 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.381 -5.324 1.761 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.509 -3.697 3.119 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.203 -2.062 3.019 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.217 -2.693 1.679 1.00 0.00 H new ATOM 651 N ILE A 45 8.253 -1.003 -0.115 1.00 0.00 N ATOM 652 CA ILE A 45 7.303 -0.519 -1.109 1.00 0.00 C ATOM 653 C ILE A 45 8.003 -0.179 -2.420 1.00 0.00 C ATOM 654 O ILE A 45 9.184 0.167 -2.434 1.00 0.00 O ATOM 655 CB ILE A 45 6.546 0.726 -0.606 1.00 0.00 C ATOM 656 CG1 ILE A 45 5.956 0.466 0.781 1.00 0.00 C ATOM 657 CG2 ILE A 45 5.450 1.114 -1.588 1.00 0.00 C ATOM 658 CD1 ILE A 45 5.031 -0.731 0.830 1.00 0.00 C ATOM 0 H ILE A 45 8.370 -0.389 0.691 1.00 0.00 H new ATOM 0 HA ILE A 45 6.589 -1.324 -1.280 1.00 0.00 H new ATOM 0 HB ILE A 45 7.251 1.554 -0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.770 0.316 1.491 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.409 1.351 1.106 1.00 0.00 H new ATOM 0 HG21 ILE A 45 4.925 1.995 -1.218 1.00 0.00 H new ATOM 0 HG22 ILE A 45 5.893 1.337 -2.559 1.00 0.00 H new ATOM 0 HG23 ILE A 45 4.746 0.289 -1.692 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.650 -0.855 1.844 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.197 -0.575 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.579 -1.626 0.536 1.00 0.00 H new ATOM 670 N ASP A 46 7.264 -0.280 -3.520 1.00 0.00 N ATOM 671 CA ASP A 46 7.809 0.016 -4.840 1.00 0.00 C ATOM 672 C ASP A 46 7.029 1.142 -5.511 1.00 0.00 C ATOM 673 O ASP A 46 7.604 2.148 -5.925 1.00 0.00 O ATOM 674 CB ASP A 46 7.773 -1.234 -5.721 1.00 0.00 C ATOM 675 CG ASP A 46 8.592 -1.074 -6.986 1.00 0.00 C ATOM 676 OD1 ASP A 46 9.617 -0.361 -6.944 1.00 0.00 O ATOM 677 OD2 ASP A 46 8.210 -1.663 -8.019 1.00 0.00 O ATOM 0 H ASP A 46 6.285 -0.565 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 46 8.843 0.337 -4.714 1.00 0.00 H new ATOM 0 HB2 ASP A 46 8.149 -2.086 -5.154 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.740 -1.458 -5.986 1.00 0.00 H new ATOM 682 N LYS A 47 5.715 0.965 -5.614 1.00 0.00 N ATOM 683 CA LYS A 47 4.855 1.966 -6.235 1.00 0.00 C ATOM 684 C LYS A 47 3.605 2.206 -5.388 1.00 0.00 C ATOM 685 O LYS A 47 3.302 1.433 -4.480 1.00 0.00 O ATOM 686 CB LYS A 47 4.485 1.529 -7.665 1.00 0.00 C ATOM 687 CG LYS A 47 3.054 1.029 -7.835 1.00 0.00 C ATOM 688 CD LYS A 47 2.103 2.164 -8.186 1.00 0.00 C ATOM 689 CE LYS A 47 1.478 1.967 -9.558 1.00 0.00 C ATOM 690 NZ LYS A 47 2.506 1.896 -10.633 1.00 0.00 N ATOM 0 H LYS A 47 5.223 0.138 -5.275 1.00 0.00 H new ATOM 0 HA LYS A 47 5.398 2.909 -6.295 1.00 0.00 H new ATOM 0 HB2 LYS A 47 4.642 2.371 -8.339 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.169 0.740 -7.976 1.00 0.00 H new ATOM 0 HG2 LYS A 47 3.023 0.272 -8.619 1.00 0.00 H new ATOM 0 HG3 LYS A 47 2.724 0.548 -6.914 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.317 2.227 -7.433 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.642 3.111 -8.164 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.888 1.051 -9.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.792 2.788 -9.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 2.070 2.134 -11.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 3.270 2.571 -10.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.897 0.933 -10.677 1.00 0.00 H new ATOM 704 N LEU A 48 2.886 3.282 -5.692 1.00 0.00 N ATOM 705 CA LEU A 48 1.671 3.620 -4.957 1.00 0.00 C ATOM 706 C LEU A 48 0.547 4.011 -5.911 1.00 0.00 C ATOM 707 O LEU A 48 0.793 4.562 -6.984 1.00 0.00 O ATOM 708 CB LEU A 48 1.940 4.761 -3.971 1.00 0.00 C ATOM 709 CG LEU A 48 2.978 5.791 -4.432 1.00 0.00 C ATOM 710 CD1 LEU A 48 2.401 7.197 -4.373 1.00 0.00 C ATOM 711 CD2 LEU A 48 4.239 5.695 -3.585 1.00 0.00 C ATOM 0 H LEU A 48 3.122 3.934 -6.440 1.00 0.00 H new ATOM 0 HA LEU A 48 1.360 2.736 -4.400 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.001 5.278 -3.774 1.00 0.00 H new ATOM 0 HB3 LEU A 48 2.272 4.332 -3.026 1.00 0.00 H new ATOM 0 HG LEU A 48 3.241 5.572 -5.467 1.00 0.00 H new ATOM 0 HD11 LEU A 48 3.153 7.913 -4.704 1.00 0.00 H new ATOM 0 HD12 LEU A 48 1.529 7.260 -5.024 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.107 7.427 -3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.964 6.434 -3.927 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.991 5.886 -2.541 1.00 0.00 H new ATOM 0 HD23 LEU A 48 4.666 4.697 -3.680 1.00 0.00 H new ATOM 723 N GLN A 49 -0.687 3.723 -5.510 1.00 0.00 N ATOM 724 CA GLN A 49 -1.852 4.044 -6.328 1.00 0.00 C ATOM 725 C GLN A 49 -3.068 4.331 -5.453 1.00 0.00 C ATOM 726 O GLN A 49 -3.375 3.574 -4.532 1.00 0.00 O ATOM 727 CB GLN A 49 -2.160 2.895 -7.290 1.00 0.00 C ATOM 728 CG GLN A 49 -2.632 3.359 -8.659 1.00 0.00 C ATOM 729 CD GLN A 49 -1.485 3.756 -9.567 1.00 0.00 C ATOM 730 OE1 GLN A 49 -0.621 4.546 -9.186 1.00 0.00 O ATOM 731 NE2 GLN A 49 -1.471 3.209 -10.777 1.00 0.00 N ATOM 0 H GLN A 49 -0.906 3.268 -4.624 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.623 4.939 -6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.266 2.284 -7.411 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.925 2.257 -6.848 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -3.205 2.561 -9.131 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.306 4.207 -8.539 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.207 2.559 -11.051 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.724 3.439 -11.432 1.00 0.00 H new ATOM 740 N ALA A 50 -3.756 5.429 -5.747 1.00 0.00 N ATOM 741 CA ALA A 50 -4.939 5.817 -4.987 1.00 0.00 C ATOM 742 C ALA A 50 -6.133 6.043 -5.907 1.00 0.00 C ATOM 743 O ALA A 50 -5.984 6.125 -7.127 1.00 0.00 O ATOM 744 CB ALA A 50 -4.654 7.070 -4.173 1.00 0.00 C ATOM 0 H ALA A 50 -3.515 6.066 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.187 5.002 -4.307 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.545 7.349 -3.610 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.834 6.876 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.378 7.884 -4.843 1.00 0.00 H new ATOM 750 N THR A 51 -7.319 6.141 -5.315 1.00 0.00 N ATOM 751 CA THR A 51 -8.541 6.357 -6.081 1.00 0.00 C ATOM 752 C THR A 51 -8.751 7.842 -6.366 1.00 0.00 C ATOM 753 O THR A 51 -8.242 8.699 -5.644 1.00 0.00 O ATOM 754 CB THR A 51 -9.746 5.796 -5.326 1.00 0.00 C ATOM 755 OG1 THR A 51 -9.687 6.148 -3.955 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.855 4.289 -5.408 1.00 0.00 C ATOM 0 H THR A 51 -7.460 6.074 -4.307 1.00 0.00 H new ATOM 0 HA THR A 51 -8.441 5.834 -7.032 1.00 0.00 H new ATOM 0 HB THR A 51 -10.619 6.234 -5.809 1.00 0.00 H new ATOM 0 HG1 THR A 51 -9.524 7.111 -3.871 1.00 0.00 H new ATOM 0 HG21 THR A 51 -10.731 3.957 -4.851 1.00 0.00 H new ATOM 0 HG22 THR A 51 -9.952 3.987 -6.451 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.960 3.836 -4.981 1.00 0.00 H new ATOM 764 N PRO A 52 -9.508 8.166 -7.428 1.00 0.00 N ATOM 765 CA PRO A 52 -9.785 9.556 -7.805 1.00 0.00 C ATOM 766 C PRO A 52 -10.705 10.254 -6.810 1.00 0.00 C ATOM 767 O PRO A 52 -11.342 9.607 -5.979 1.00 0.00 O ATOM 768 CB PRO A 52 -10.470 9.426 -9.168 1.00 0.00 C ATOM 769 CG PRO A 52 -11.079 8.067 -9.157 1.00 0.00 C ATOM 770 CD PRO A 52 -10.154 7.206 -8.342 1.00 0.00 C ATOM 0 HA PRO A 52 -8.878 10.161 -7.826 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -11.227 10.198 -9.306 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -9.754 9.532 -9.983 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -12.077 8.090 -8.720 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -11.183 7.678 -10.170 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -10.699 6.436 -7.796 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -9.424 6.695 -8.970 1.00 0.00 H new ATOM 778 N ALA A 53 -10.771 11.579 -6.901 1.00 0.00 N ATOM 779 CA ALA A 53 -11.614 12.365 -6.008 1.00 0.00 C ATOM 780 C ALA A 53 -13.077 12.300 -6.434 1.00 0.00 C ATOM 781 O ALA A 53 -13.980 12.389 -5.603 1.00 0.00 O ATOM 782 CB ALA A 53 -11.137 13.809 -5.970 1.00 0.00 C ATOM 0 H ALA A 53 -10.251 12.130 -7.584 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.536 11.941 -5.007 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.775 14.385 -5.300 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.108 13.843 -5.611 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.186 14.235 -6.972 1.00 0.00 H new ATOM 788 N SER A 54 -13.304 12.144 -7.735 1.00 0.00 N ATOM 789 CA SER A 54 -14.658 12.067 -8.271 1.00 0.00 C ATOM 790 C SER A 54 -15.363 10.802 -7.792 1.00 0.00 C ATOM 791 O SER A 54 -16.580 10.791 -7.607 1.00 0.00 O ATOM 792 CB SER A 54 -14.626 12.100 -9.800 1.00 0.00 C ATOM 793 OG SER A 54 -15.754 12.784 -10.319 1.00 0.00 O ATOM 0 H SER A 54 -12.568 12.069 -8.437 1.00 0.00 H new ATOM 0 HA SER A 54 -15.215 12.930 -7.907 1.00 0.00 H new ATOM 0 HB2 SER A 54 -13.713 12.590 -10.137 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.604 11.082 -10.189 1.00 0.00 H new ATOM 0 HG SER A 54 -15.709 12.793 -11.298 1.00 0.00 H new ATOM 799 N SER A 55 -14.592 9.739 -7.594 1.00 0.00 N ATOM 800 CA SER A 55 -15.144 8.469 -7.137 1.00 0.00 C ATOM 801 C SER A 55 -15.399 8.495 -5.634 1.00 0.00 C ATOM 802 O SER A 55 -14.537 8.902 -4.855 1.00 0.00 O ATOM 803 CB SER A 55 -14.194 7.321 -7.485 1.00 0.00 C ATOM 804 OG SER A 55 -14.122 7.125 -8.887 1.00 0.00 O ATOM 0 H SER A 55 -13.583 9.731 -7.743 1.00 0.00 H new ATOM 0 HA SER A 55 -16.095 8.312 -7.646 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.200 7.536 -7.093 1.00 0.00 H new ATOM 0 HB3 SER A 55 -14.535 6.404 -7.004 1.00 0.00 H new ATOM 0 HG SER A 55 -13.507 6.387 -9.083 1.00 0.00 H new ATOM 810 N GLU A 56 -16.588 8.058 -5.233 1.00 0.00 N ATOM 811 CA GLU A 56 -16.956 8.031 -3.822 1.00 0.00 C ATOM 812 C GLU A 56 -16.020 7.121 -3.033 1.00 0.00 C ATOM 813 O GLU A 56 -15.578 7.468 -1.938 1.00 0.00 O ATOM 814 CB GLU A 56 -18.402 7.559 -3.659 1.00 0.00 C ATOM 815 CG GLU A 56 -18.671 6.198 -4.280 1.00 0.00 C ATOM 816 CD GLU A 56 -20.105 5.743 -4.088 1.00 0.00 C ATOM 817 OE1 GLU A 56 -21.023 6.543 -4.362 1.00 0.00 O ATOM 818 OE2 GLU A 56 -20.308 4.586 -3.663 1.00 0.00 O ATOM 0 H GLU A 56 -17.313 7.718 -5.865 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.865 9.044 -3.429 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.645 7.519 -2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -19.068 8.294 -4.111 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.446 6.238 -5.346 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.998 5.462 -3.840 1.00 0.00 H new ATOM 825 N LYS A 57 -15.723 5.955 -3.598 1.00 0.00 N ATOM 826 CA LYS A 57 -14.839 4.995 -2.947 1.00 0.00 C ATOM 827 C LYS A 57 -13.413 5.530 -2.877 1.00 0.00 C ATOM 828 O LYS A 57 -12.585 5.233 -3.738 1.00 0.00 O ATOM 829 CB LYS A 57 -14.857 3.662 -3.698 1.00 0.00 C ATOM 830 CG LYS A 57 -15.988 2.738 -3.276 1.00 0.00 C ATOM 831 CD LYS A 57 -15.851 2.315 -1.823 1.00 0.00 C ATOM 832 CE LYS A 57 -16.899 1.281 -1.442 1.00 0.00 C ATOM 833 NZ LYS A 57 -17.025 0.212 -2.472 1.00 0.00 N ATOM 0 H LYS A 57 -16.081 5.653 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 57 -15.201 4.838 -1.931 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.940 3.858 -4.767 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -13.906 3.153 -3.540 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -16.944 3.242 -3.420 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -15.994 1.854 -3.914 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -14.855 1.904 -1.655 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -15.949 3.188 -1.178 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -16.635 0.833 -0.484 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -17.863 1.773 -1.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -17.329 -0.673 -2.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -17.729 0.496 -3.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -16.105 0.066 -2.935 1.00 0.00 H new ATOM 847 N MET A 58 -13.130 6.318 -1.845 1.00 0.00 N ATOM 848 CA MET A 58 -11.802 6.891 -1.665 1.00 0.00 C ATOM 849 C MET A 58 -10.935 5.987 -0.794 1.00 0.00 C ATOM 850 O MET A 58 -11.201 5.813 0.395 1.00 0.00 O ATOM 851 CB MET A 58 -11.904 8.281 -1.033 1.00 0.00 C ATOM 852 CG MET A 58 -12.944 9.174 -1.692 1.00 0.00 C ATOM 853 SD MET A 58 -14.030 9.980 -0.498 1.00 0.00 S ATOM 854 CE MET A 58 -12.845 10.507 0.737 1.00 0.00 C ATOM 0 H MET A 58 -13.802 6.574 -1.122 1.00 0.00 H new ATOM 0 HA MET A 58 -11.335 6.979 -2.646 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.147 8.173 0.024 1.00 0.00 H new ATOM 0 HB3 MET A 58 -10.931 8.769 -1.088 1.00 0.00 H new ATOM 0 HG2 MET A 58 -12.439 9.934 -2.288 1.00 0.00 H new ATOM 0 HG3 MET A 58 -13.545 8.578 -2.379 1.00 0.00 H new ATOM 0 HE1 MET A 58 -13.221 11.394 1.246 1.00 0.00 H new ATOM 0 HE2 MET A 58 -12.696 9.708 1.463 1.00 0.00 H new ATOM 0 HE3 MET A 58 -11.896 10.740 0.254 1.00 0.00 H new ATOM 864 N MET A 59 -9.896 5.416 -1.396 1.00 0.00 N ATOM 865 CA MET A 59 -8.988 4.529 -0.678 1.00 0.00 C ATOM 866 C MET A 59 -7.566 4.655 -1.216 1.00 0.00 C ATOM 867 O MET A 59 -7.346 5.214 -2.290 1.00 0.00 O ATOM 868 CB MET A 59 -9.461 3.079 -0.794 1.00 0.00 C ATOM 869 CG MET A 59 -10.866 2.852 -0.261 1.00 0.00 C ATOM 870 SD MET A 59 -12.122 2.944 -1.552 1.00 0.00 S ATOM 871 CE MET A 59 -12.470 1.206 -1.810 1.00 0.00 C ATOM 0 H MET A 59 -9.662 5.552 -2.379 1.00 0.00 H new ATOM 0 HA MET A 59 -8.988 4.822 0.372 1.00 0.00 H new ATOM 0 HB2 MET A 59 -9.425 2.777 -1.841 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.768 2.435 -0.253 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.915 1.875 0.219 1.00 0.00 H new ATOM 0 HG3 MET A 59 -11.084 3.595 0.506 1.00 0.00 H new ATOM 0 HE1 MET A 59 -13.268 1.100 -2.544 1.00 0.00 H new ATOM 0 HE2 MET A 59 -11.573 0.706 -2.174 1.00 0.00 H new ATOM 0 HE3 MET A 59 -12.781 0.753 -0.868 1.00 0.00 H new ATOM 881 N LEU A 60 -6.606 4.129 -0.463 1.00 0.00 N ATOM 882 CA LEU A 60 -5.204 4.180 -0.865 1.00 0.00 C ATOM 883 C LEU A 60 -4.632 2.774 -1.012 1.00 0.00 C ATOM 884 O LEU A 60 -4.937 1.884 -0.218 1.00 0.00 O ATOM 885 CB LEU A 60 -4.387 4.972 0.157 1.00 0.00 C ATOM 886 CG LEU A 60 -4.499 6.493 0.037 1.00 0.00 C ATOM 887 CD1 LEU A 60 -4.393 7.146 1.406 1.00 0.00 C ATOM 888 CD2 LEU A 60 -3.426 7.032 -0.898 1.00 0.00 C ATOM 0 H LEU A 60 -6.772 3.663 0.429 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.145 4.681 -1.831 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.702 4.678 1.158 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.339 4.691 0.057 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.475 6.735 -0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.475 8.228 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.197 6.782 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.431 6.897 1.854 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.519 8.115 -0.973 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.441 6.779 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.548 6.588 -1.886 1.00 0.00 H new ATOM 900 N ARG A 61 -3.803 2.579 -2.032 1.00 0.00 N ATOM 901 CA ARG A 61 -3.192 1.278 -2.280 1.00 0.00 C ATOM 902 C ARG A 61 -1.680 1.403 -2.439 1.00 0.00 C ATOM 903 O ARG A 61 -1.185 2.345 -3.058 1.00 0.00 O ATOM 904 CB ARG A 61 -3.799 0.636 -3.531 1.00 0.00 C ATOM 905 CG ARG A 61 -3.178 -0.705 -3.893 1.00 0.00 C ATOM 906 CD ARG A 61 -4.241 -1.764 -4.142 1.00 0.00 C ATOM 907 NE ARG A 61 -3.789 -3.097 -3.751 1.00 0.00 N ATOM 908 CZ ARG A 61 -4.489 -4.209 -3.962 1.00 0.00 C ATOM 909 NH1 ARG A 61 -5.672 -4.152 -4.562 1.00 0.00 N ATOM 910 NH2 ARG A 61 -4.006 -5.381 -3.573 1.00 0.00 N ATOM 0 H ARG A 61 -3.539 3.304 -2.699 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.394 0.642 -1.418 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.869 0.501 -3.376 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.682 1.319 -4.372 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -2.560 -0.592 -4.784 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -2.520 -1.031 -3.088 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.143 -1.510 -3.586 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -4.508 -1.768 -5.199 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.883 -3.180 -3.289 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.048 -3.253 -4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -6.205 -5.007 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -3.098 -5.431 -3.112 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -4.543 -6.233 -3.735 1.00 0.00 H new ATOM 924 N LEU A 62 -0.954 0.443 -1.876 1.00 0.00 N ATOM 925 CA LEU A 62 0.502 0.437 -1.952 1.00 0.00 C ATOM 926 C LEU A 62 1.004 -0.846 -2.604 1.00 0.00 C ATOM 927 O LEU A 62 0.448 -1.923 -2.388 1.00 0.00 O ATOM 928 CB LEU A 62 1.106 0.582 -0.555 1.00 0.00 C ATOM 929 CG LEU A 62 0.558 1.748 0.267 1.00 0.00 C ATOM 930 CD1 LEU A 62 0.839 1.536 1.745 1.00 0.00 C ATOM 931 CD2 LEU A 62 1.158 3.061 -0.212 1.00 0.00 C ATOM 0 H LEU A 62 -1.351 -0.343 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 62 0.814 1.283 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.936 -0.343 -0.004 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.185 0.701 -0.653 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.522 1.793 0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.442 2.376 2.315 1.00 0.00 H new ATOM 0 HD12 LEU A 62 0.362 0.614 2.077 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.915 1.466 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.758 3.882 0.383 1.00 0.00 H new ATOM 0 HD22 LEU A 62 2.242 3.027 -0.102 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.904 3.216 -1.261 1.00 0.00 H new ATOM 943 N ILE A 63 2.057 -0.723 -3.403 1.00 0.00 N ATOM 944 CA ILE A 63 2.634 -1.873 -4.089 1.00 0.00 C ATOM 945 C ILE A 63 4.077 -2.104 -3.655 1.00 0.00 C ATOM 946 O ILE A 63 4.837 -1.156 -3.469 1.00 0.00 O ATOM 947 CB ILE A 63 2.594 -1.692 -5.618 1.00 0.00 C ATOM 948 CG1 ILE A 63 1.215 -1.200 -6.062 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.950 -2.996 -6.315 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.084 -2.117 -5.650 1.00 0.00 C ATOM 0 H ILE A 63 2.529 0.161 -3.592 1.00 0.00 H new ATOM 0 HA ILE A 63 2.031 -2.739 -3.816 1.00 0.00 H new ATOM 0 HB ILE A 63 3.332 -0.940 -5.899 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.040 -0.209 -5.643 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.208 -1.093 -7.147 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.917 -2.852 -7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.953 -3.304 -6.020 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.235 -3.768 -6.030 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.863 -1.705 -5.998 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.236 -3.102 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.064 -2.205 -4.564 1.00 0.00 H new ATOM 962 N GLY A 64 4.447 -3.371 -3.497 1.00 0.00 N ATOM 963 CA GLY A 64 5.800 -3.703 -3.089 1.00 0.00 C ATOM 964 C GLY A 64 6.640 -4.225 -4.238 1.00 0.00 C ATOM 965 O GLY A 64 6.106 -4.723 -5.229 1.00 0.00 O ATOM 0 H GLY A 64 3.835 -4.173 -3.644 1.00 0.00 H new ATOM 0 HA2 GLY A 64 6.277 -2.818 -2.667 1.00 0.00 H new ATOM 0 HA3 GLY A 64 5.764 -4.453 -2.299 1.00 0.00 H new ATOM 969 N LYS A 65 7.958 -4.110 -4.107 1.00 0.00 N ATOM 970 CA LYS A 65 8.870 -4.575 -5.147 1.00 0.00 C ATOM 971 C LYS A 65 9.213 -6.048 -4.952 1.00 0.00 C ATOM 972 O LYS A 65 9.808 -6.430 -3.944 1.00 0.00 O ATOM 973 CB LYS A 65 10.152 -3.737 -5.155 1.00 0.00 C ATOM 974 CG LYS A 65 10.727 -3.481 -3.770 1.00 0.00 C ATOM 975 CD LYS A 65 10.526 -2.037 -3.340 1.00 0.00 C ATOM 976 CE LYS A 65 11.626 -1.136 -3.880 1.00 0.00 C ATOM 977 NZ LYS A 65 11.706 -1.187 -5.366 1.00 0.00 N ATOM 0 H LYS A 65 8.417 -3.700 -3.294 1.00 0.00 H new ATOM 0 HA LYS A 65 8.368 -4.460 -6.107 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.902 -4.244 -5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.947 -2.780 -5.635 1.00 0.00 H new ATOM 0 HG2 LYS A 65 10.251 -4.146 -3.049 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.791 -3.717 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.558 -1.683 -3.693 1.00 0.00 H new ATOM 0 HD3 LYS A 65 10.509 -1.979 -2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.444 -0.110 -3.561 1.00 0.00 H new ATOM 0 HE3 LYS A 65 12.583 -1.437 -3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.384 -0.474 -5.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.021 -2.132 -5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.768 -0.991 -5.771 1.00 0.00 H new ATOM 1294 N GLN A 85 3.486 -7.901 -4.382 1.00 0.00 N ATOM 1295 CA GLN A 85 2.857 -7.479 -3.136 1.00 0.00 C ATOM 1296 C GLN A 85 2.084 -6.179 -3.333 1.00 0.00 C ATOM 1297 O GLN A 85 2.602 -5.219 -3.903 1.00 0.00 O ATOM 1298 CB GLN A 85 3.912 -7.299 -2.043 1.00 0.00 C ATOM 1299 CG GLN A 85 4.350 -8.604 -1.399 1.00 0.00 C ATOM 1300 CD GLN A 85 5.763 -8.999 -1.784 1.00 0.00 C ATOM 1301 OE1 GLN A 85 6.000 -9.517 -2.875 1.00 0.00 O ATOM 1302 NE2 GLN A 85 6.711 -8.755 -0.886 1.00 0.00 N ATOM 0 HA GLN A 85 2.156 -8.255 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.784 -6.803 -2.470 1.00 0.00 H new ATOM 0 HB3 GLN A 85 3.515 -6.638 -1.272 1.00 0.00 H new ATOM 0 HG2 GLN A 85 4.286 -8.509 -0.315 1.00 0.00 H new ATOM 0 HG3 GLN A 85 3.662 -9.398 -1.691 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.469 -8.324 0.006 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.680 -8.999 -1.089 1.00 0.00 H new ATOM 1311 N ARG A 86 0.843 -6.155 -2.860 1.00 0.00 N ATOM 1312 CA ARG A 86 0.000 -4.971 -2.987 1.00 0.00 C ATOM 1313 C ARG A 86 -1.025 -4.909 -1.858 1.00 0.00 C ATOM 1314 O ARG A 86 -1.832 -5.824 -1.690 1.00 0.00 O ATOM 1315 CB ARG A 86 -0.715 -4.973 -4.339 1.00 0.00 C ATOM 1316 CG ARG A 86 0.190 -5.339 -5.505 1.00 0.00 C ATOM 1317 CD ARG A 86 -0.568 -5.332 -6.823 1.00 0.00 C ATOM 1318 NE ARG A 86 0.307 -5.045 -7.956 1.00 0.00 N ATOM 1319 CZ ARG A 86 -0.068 -5.153 -9.229 1.00 0.00 C ATOM 1320 NH1 ARG A 86 -1.300 -5.540 -9.534 1.00 0.00 N ATOM 1321 NH2 ARG A 86 0.792 -4.872 -10.199 1.00 0.00 N ATOM 0 H ARG A 86 0.398 -6.941 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 86 0.640 -4.091 -2.922 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.546 -5.677 -4.300 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.141 -3.986 -4.517 1.00 0.00 H new ATOM 0 HG2 ARG A 86 1.020 -4.634 -5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 86 0.620 -6.326 -5.337 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.047 -6.300 -6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -1.362 -4.587 -6.780 1.00 0.00 H new ATOM 0 HE ARG A 86 1.262 -4.744 -7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.965 -5.756 -8.792 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -1.582 -5.621 -10.511 1.00 0.00 H new ATOM 0 HH21 ARG A 86 1.740 -4.573 -9.969 1.00 0.00 H new ATOM 0 HH22 ARG A 86 0.505 -4.955 -11.174 1.00 0.00 H new ATOM 1335 N HIS A 87 -0.990 -3.826 -1.087 1.00 0.00 N ATOM 1336 CA HIS A 87 -1.919 -3.648 0.024 1.00 0.00 C ATOM 1337 C HIS A 87 -2.784 -2.409 -0.184 1.00 0.00 C ATOM 1338 O HIS A 87 -2.396 -1.483 -0.895 1.00 0.00 O ATOM 1339 CB HIS A 87 -1.154 -3.535 1.343 1.00 0.00 C ATOM 1340 CG HIS A 87 -0.566 -4.832 1.807 1.00 0.00 C ATOM 1341 ND1 HIS A 87 -1.332 -5.930 2.140 1.00 0.00 N ATOM 1342 CD2 HIS A 87 0.723 -5.204 1.994 1.00 0.00 C ATOM 1343 CE1 HIS A 87 -0.540 -6.920 2.511 1.00 0.00 C ATOM 1344 NE2 HIS A 87 0.711 -6.506 2.431 1.00 0.00 N ATOM 0 H HIS A 87 -0.329 -3.059 -1.211 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.570 -4.521 0.064 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -0.354 -2.803 1.228 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -1.826 -3.154 2.112 1.00 0.00 H new ATOM 0 HD2 HIS A 87 1.597 -4.591 1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -0.861 -7.902 2.826 1.00 0.00 H new ATOM 0 HE2 HIS A 87 1.535 -7.063 2.657 1.00 0.00 H new ATOM 1353 N MET A 88 -3.957 -2.396 0.442 1.00 0.00 N ATOM 1354 CA MET A 88 -4.872 -1.267 0.323 1.00 0.00 C ATOM 1355 C MET A 88 -5.431 -0.869 1.684 1.00 0.00 C ATOM 1356 O MET A 88 -5.616 -1.712 2.562 1.00 0.00 O ATOM 1357 CB MET A 88 -6.018 -1.608 -0.632 1.00 0.00 C ATOM 1358 CG MET A 88 -6.696 -2.933 -0.322 1.00 0.00 C ATOM 1359 SD MET A 88 -7.864 -2.814 1.046 1.00 0.00 S ATOM 1360 CE MET A 88 -9.128 -1.771 0.324 1.00 0.00 C ATOM 0 H MET A 88 -4.295 -3.153 1.036 1.00 0.00 H new ATOM 0 HA MET A 88 -4.312 -0.423 -0.079 1.00 0.00 H new ATOM 0 HB2 MET A 88 -6.761 -0.812 -0.593 1.00 0.00 H new ATOM 0 HB3 MET A 88 -5.634 -1.636 -1.652 1.00 0.00 H new ATOM 0 HG2 MET A 88 -7.219 -3.286 -1.211 1.00 0.00 H new ATOM 0 HG3 MET A 88 -5.937 -3.678 -0.082 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.037 -1.834 0.922 1.00 0.00 H new ATOM 0 HE2 MET A 88 -8.779 -0.739 0.302 1.00 0.00 H new ATOM 0 HE3 MET A 88 -9.339 -2.105 -0.692 1.00 0.00 H new ATOM 1370 N PHE A 89 -5.700 0.421 1.851 1.00 0.00 N ATOM 1371 CA PHE A 89 -6.240 0.937 3.103 1.00 0.00 C ATOM 1372 C PHE A 89 -7.468 1.805 2.847 1.00 0.00 C ATOM 1373 O PHE A 89 -7.715 2.227 1.717 1.00 0.00 O ATOM 1374 CB PHE A 89 -5.176 1.744 3.849 1.00 0.00 C ATOM 1375 CG PHE A 89 -3.871 1.017 4.003 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -3.022 0.853 2.921 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -3.493 0.497 5.231 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -1.820 0.185 3.059 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -2.292 -0.172 5.376 1.00 0.00 C ATOM 1380 CZ PHE A 89 -1.455 -0.328 4.289 1.00 0.00 C ATOM 0 H PHE A 89 -5.552 1.130 1.133 1.00 0.00 H new ATOM 0 HA PHE A 89 -6.538 0.088 3.719 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -5.001 2.679 3.317 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -5.556 2.005 4.837 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.303 1.252 1.958 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.144 0.616 6.084 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -1.167 0.064 2.207 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -2.009 -0.572 6.338 1.00 0.00 H new ATOM 0 HZ PHE A 89 -0.516 -0.850 4.400 1.00 0.00 H new ATOM 1390 N SER A 90 -8.233 2.068 3.901 1.00 0.00 N ATOM 1391 CA SER A 90 -9.435 2.886 3.785 1.00 0.00 C ATOM 1392 C SER A 90 -9.212 4.271 4.385 1.00 0.00 C ATOM 1393 O SER A 90 -8.534 4.416 5.402 1.00 0.00 O ATOM 1394 CB SER A 90 -10.614 2.200 4.479 1.00 0.00 C ATOM 1395 OG SER A 90 -10.365 0.817 4.661 1.00 0.00 O ATOM 0 H SER A 90 -8.043 1.727 4.843 1.00 0.00 H new ATOM 0 HA SER A 90 -9.664 3.002 2.726 1.00 0.00 H new ATOM 0 HB2 SER A 90 -10.795 2.670 5.446 1.00 0.00 H new ATOM 0 HB3 SER A 90 -11.518 2.335 3.885 1.00 0.00 H new ATOM 0 HG SER A 90 -9.692 0.695 5.363 1.00 0.00 H new ATOM 1401 N PHE A 91 -9.789 5.285 3.749 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.654 6.659 4.219 1.00 0.00 C ATOM 1403 C PHE A 91 -10.972 7.414 4.075 1.00 0.00 C ATOM 1404 O PHE A 91 -11.904 6.938 3.428 1.00 0.00 O ATOM 1405 CB PHE A 91 -8.552 7.381 3.441 1.00 0.00 C ATOM 1406 CG PHE A 91 -7.170 7.092 3.952 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -6.561 5.875 3.690 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -6.479 8.037 4.693 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -5.289 5.606 4.158 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -5.206 7.774 5.164 1.00 0.00 C ATOM 1411 CZ PHE A 91 -4.611 6.556 4.896 1.00 0.00 C ATOM 0 H PHE A 91 -10.355 5.181 2.907 1.00 0.00 H new ATOM 0 HA PHE A 91 -9.384 6.631 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -8.610 7.092 2.392 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -8.730 8.455 3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.087 5.128 3.113 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -6.940 8.990 4.905 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -4.826 4.654 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -4.678 8.519 5.740 1.00 0.00 H new ATOM 0 HZ PHE A 91 -3.617 6.347 5.263 1.00 0.00 H new ATOM 1421 N ASN A 92 -11.042 8.594 4.683 1.00 0.00 N ATOM 1422 CA ASN A 92 -12.246 9.414 4.622 1.00 0.00 C ATOM 1423 C ASN A 92 -11.892 10.897 4.561 1.00 0.00 C ATOM 1424 O ASN A 92 -12.635 11.744 5.058 1.00 0.00 O ATOM 1425 CB ASN A 92 -13.136 9.141 5.836 1.00 0.00 C ATOM 1426 CG ASN A 92 -12.419 9.393 7.148 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -11.412 10.099 7.192 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -12.936 8.813 8.225 1.00 0.00 N ATOM 0 H ASN A 92 -10.280 9.003 5.223 1.00 0.00 H new ATOM 0 HA ASN A 92 -12.789 9.150 3.714 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -14.022 9.773 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -13.480 8.107 5.806 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.496 8.945 9.136 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -13.773 8.236 8.141 1.00 0.00 H new ATOM 1435 N ASN A 93 -10.754 11.204 3.947 1.00 0.00 N ATOM 1436 CA ASN A 93 -10.302 12.584 3.820 1.00 0.00 C ATOM 1437 C ASN A 93 -9.588 12.803 2.490 1.00 0.00 C ATOM 1438 O ASN A 93 -8.531 12.225 2.239 1.00 0.00 O ATOM 1439 CB ASN A 93 -9.371 12.946 4.979 1.00 0.00 C ATOM 1440 CG ASN A 93 -10.129 13.416 6.204 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -10.196 12.715 7.214 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -10.705 14.610 6.122 1.00 0.00 N ATOM 0 H ASN A 93 -10.128 10.515 3.530 1.00 0.00 H new ATOM 0 HA ASN A 93 -11.178 13.232 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -8.766 12.078 5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -8.683 13.729 4.658 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -11.228 14.979 6.916 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -10.624 15.158 5.265 1.00 0.00 H new ATOM 1449 N ARG A 94 -10.174 13.641 1.641 1.00 0.00 N ATOM 1450 CA ARG A 94 -9.595 13.936 0.336 1.00 0.00 C ATOM 1451 C ARG A 94 -8.300 14.730 0.480 1.00 0.00 C ATOM 1452 O ARG A 94 -7.398 14.621 -0.351 1.00 0.00 O ATOM 1453 CB ARG A 94 -10.592 14.716 -0.523 1.00 0.00 C ATOM 1454 CG ARG A 94 -11.512 13.828 -1.345 1.00 0.00 C ATOM 1455 CD ARG A 94 -12.320 14.638 -2.345 1.00 0.00 C ATOM 1456 NE ARG A 94 -13.658 14.947 -1.846 1.00 0.00 N ATOM 1457 CZ ARG A 94 -14.667 15.337 -2.621 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -14.496 15.466 -3.931 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -15.852 15.598 -2.085 1.00 0.00 N ATOM 0 H ARG A 94 -11.049 14.128 1.834 1.00 0.00 H new ATOM 0 HA ARG A 94 -9.366 12.989 -0.153 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -11.197 15.352 0.124 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -10.042 15.376 -1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -10.921 13.080 -1.874 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -12.188 13.289 -0.681 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -11.794 15.566 -2.570 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -12.401 14.083 -3.280 1.00 0.00 H new ATOM 0 HE ARG A 94 -13.829 14.859 -0.844 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -13.587 15.266 -4.349 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -15.273 15.765 -4.520 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -15.990 15.500 -1.079 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -16.626 15.897 -2.679 1.00 0.00 H new ATOM 1473 N THR A 95 -8.216 15.530 1.537 1.00 0.00 N ATOM 1474 CA THR A 95 -7.033 16.344 1.788 1.00 0.00 C ATOM 1475 C THR A 95 -5.952 15.536 2.501 1.00 0.00 C ATOM 1476 O THR A 95 -4.760 15.799 2.342 1.00 0.00 O ATOM 1477 CB THR A 95 -7.400 17.571 2.624 1.00 0.00 C ATOM 1478 OG1 THR A 95 -8.436 18.310 2.002 1.00 0.00 O ATOM 1479 CG2 THR A 95 -6.237 18.512 2.850 1.00 0.00 C ATOM 0 H THR A 95 -8.954 15.632 2.234 1.00 0.00 H new ATOM 0 HA THR A 95 -6.640 16.671 0.825 1.00 0.00 H new ATOM 0 HB THR A 95 -7.720 17.177 3.589 1.00 0.00 H new ATOM 0 HG1 THR A 95 -8.658 19.090 2.553 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.567 19.360 3.450 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.439 17.985 3.374 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.866 18.869 1.889 1.00 0.00 H new ATOM 1487 N VAL A 96 -6.376 14.552 3.288 1.00 0.00 N ATOM 1488 CA VAL A 96 -5.444 13.709 4.027 1.00 0.00 C ATOM 1489 C VAL A 96 -4.970 12.532 3.180 1.00 0.00 C ATOM 1490 O VAL A 96 -3.807 12.134 3.251 1.00 0.00 O ATOM 1491 CB VAL A 96 -6.080 13.169 5.322 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -5.038 12.462 6.175 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -6.742 14.295 6.101 1.00 0.00 C ATOM 0 H VAL A 96 -7.359 14.319 3.430 1.00 0.00 H new ATOM 0 HA VAL A 96 -4.589 14.336 4.282 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.848 12.444 5.053 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -5.506 12.088 7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -4.615 11.628 5.615 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -4.245 13.163 6.437 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -7.186 13.895 7.013 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -5.996 15.046 6.360 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.520 14.752 5.489 1.00 0.00 H new ATOM 1503 N MET A 97 -5.876 11.978 2.380 1.00 0.00 N ATOM 1504 CA MET A 97 -5.547 10.845 1.522 1.00 0.00 C ATOM 1505 C MET A 97 -4.384 11.180 0.593 1.00 0.00 C ATOM 1506 O MET A 97 -3.588 10.309 0.241 1.00 0.00 O ATOM 1507 CB MET A 97 -6.769 10.428 0.700 1.00 0.00 C ATOM 1508 CG MET A 97 -7.227 11.485 -0.291 1.00 0.00 C ATOM 1509 SD MET A 97 -6.375 11.369 -1.875 1.00 0.00 S ATOM 1510 CE MET A 97 -6.748 9.679 -2.337 1.00 0.00 C ATOM 0 H MET A 97 -6.843 12.295 2.308 1.00 0.00 H new ATOM 0 HA MET A 97 -5.247 10.015 2.162 1.00 0.00 H new ATOM 0 HB2 MET A 97 -6.536 9.511 0.158 1.00 0.00 H new ATOM 0 HB3 MET A 97 -7.591 10.198 1.378 1.00 0.00 H new ATOM 0 HG2 MET A 97 -8.300 11.385 -0.452 1.00 0.00 H new ATOM 0 HG3 MET A 97 -7.059 12.474 0.136 1.00 0.00 H new ATOM 0 HE1 MET A 97 -6.960 9.632 -3.405 1.00 0.00 H new ATOM 0 HE2 MET A 97 -5.893 9.042 -2.108 1.00 0.00 H new ATOM 0 HE3 MET A 97 -7.618 9.333 -1.779 1.00 0.00 H new ATOM 1520 N ASP A 98 -4.291 12.446 0.201 1.00 0.00 N ATOM 1521 CA ASP A 98 -3.224 12.894 -0.687 1.00 0.00 C ATOM 1522 C ASP A 98 -1.931 13.123 0.089 1.00 0.00 C ATOM 1523 O ASP A 98 -0.836 12.968 -0.452 1.00 0.00 O ATOM 1524 CB ASP A 98 -3.636 14.178 -1.409 1.00 0.00 C ATOM 1525 CG ASP A 98 -3.892 15.325 -0.450 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -2.967 15.683 0.308 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -5.018 15.865 -0.459 1.00 0.00 O ATOM 0 H ASP A 98 -4.941 13.180 0.484 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.049 12.112 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -2.853 14.464 -2.112 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -4.536 13.990 -1.994 1.00 0.00 H new ATOM 1532 N ASN A 99 -2.064 13.494 1.358 1.00 0.00 N ATOM 1533 CA ASN A 99 -0.905 13.745 2.207 1.00 0.00 C ATOM 1534 C ASN A 99 -0.140 12.453 2.478 1.00 0.00 C ATOM 1535 O ASN A 99 1.076 12.467 2.664 1.00 0.00 O ATOM 1536 CB ASN A 99 -1.340 14.381 3.528 1.00 0.00 C ATOM 1537 CG ASN A 99 -0.244 15.219 4.155 1.00 0.00 C ATOM 1538 OD1 ASN A 99 0.634 15.734 3.462 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -0.288 15.360 5.475 1.00 0.00 N ATOM 0 H ASN A 99 -2.963 13.628 1.821 1.00 0.00 H new ATOM 0 HA ASN A 99 -0.244 14.435 1.682 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -2.217 15.005 3.356 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -1.638 13.597 4.225 1.00 0.00 H new ATOM 0 HD21 ASN A 99 0.424 15.913 5.953 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -1.034 14.916 6.011 1.00 0.00 H new ATOM 1546 N ILE A 100 -0.861 11.336 2.495 1.00 0.00 N ATOM 1547 CA ILE A 100 -0.249 10.036 2.739 1.00 0.00 C ATOM 1548 C ILE A 100 0.531 9.565 1.516 1.00 0.00 C ATOM 1549 O ILE A 100 1.699 9.192 1.616 1.00 0.00 O ATOM 1550 CB ILE A 100 -1.308 8.976 3.102 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -2.167 9.461 4.272 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -0.642 7.650 3.438 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -1.404 9.585 5.573 1.00 0.00 C ATOM 0 H ILE A 100 -1.869 11.306 2.343 1.00 0.00 H new ATOM 0 HA ILE A 100 0.434 10.156 3.580 1.00 0.00 H new ATOM 0 HB ILE A 100 -1.956 8.823 2.239 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.597 10.430 4.019 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.998 8.770 4.412 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -1.405 6.914 3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -0.072 7.300 2.577 1.00 0.00 H new ATOM 0 HG23 ILE A 100 0.029 7.785 4.286 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.076 9.933 6.357 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -0.996 8.613 5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.589 10.298 5.450 1.00 0.00 H new ATOM 1565 N LYS A 101 -0.127 9.584 0.362 1.00 0.00 N ATOM 1566 CA LYS A 101 0.499 9.160 -0.885 1.00 0.00 C ATOM 1567 C LYS A 101 1.726 10.010 -1.199 1.00 0.00 C ATOM 1568 O LYS A 101 2.783 9.486 -1.549 1.00 0.00 O ATOM 1569 CB LYS A 101 -0.504 9.246 -2.037 1.00 0.00 C ATOM 1570 CG LYS A 101 0.062 8.793 -3.372 1.00 0.00 C ATOM 1571 CD LYS A 101 -0.710 9.392 -4.536 1.00 0.00 C ATOM 1572 CE LYS A 101 -1.885 8.515 -4.936 1.00 0.00 C ATOM 1573 NZ LYS A 101 -2.605 9.057 -6.122 1.00 0.00 N ATOM 0 H LYS A 101 -1.095 9.889 0.264 1.00 0.00 H new ATOM 0 HA LYS A 101 0.820 8.125 -0.766 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -1.375 8.637 -1.796 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.851 10.275 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 101 1.110 9.083 -3.441 1.00 0.00 H new ATOM 0 HG3 LYS A 101 0.028 7.705 -3.433 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.071 10.383 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -0.043 9.520 -5.389 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -1.528 7.509 -5.157 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -2.577 8.431 -4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -3.174 8.303 -6.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -3.229 9.834 -5.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -1.915 9.413 -6.814 1.00 0.00 H new ATOM 1587 N MET A 102 1.579 11.326 -1.073 1.00 0.00 N ATOM 1588 CA MET A 102 2.676 12.247 -1.346 1.00 0.00 C ATOM 1589 C MET A 102 3.874 11.954 -0.445 1.00 0.00 C ATOM 1590 O MET A 102 5.021 12.190 -0.823 1.00 0.00 O ATOM 1591 CB MET A 102 2.215 13.696 -1.157 1.00 0.00 C ATOM 1592 CG MET A 102 2.024 14.097 0.297 1.00 0.00 C ATOM 1593 SD MET A 102 1.674 15.855 0.493 1.00 0.00 S ATOM 1594 CE MET A 102 0.075 15.972 -0.307 1.00 0.00 C ATOM 0 H MET A 102 0.711 11.777 -0.784 1.00 0.00 H new ATOM 0 HA MET A 102 2.985 12.106 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 102 2.946 14.362 -1.614 1.00 0.00 H new ATOM 0 HB3 MET A 102 1.275 13.840 -1.690 1.00 0.00 H new ATOM 0 HG2 MET A 102 1.206 13.518 0.725 1.00 0.00 H new ATOM 0 HG3 MET A 102 2.922 13.844 0.860 1.00 0.00 H new ATOM 0 HE1 MET A 102 0.052 16.854 -0.948 1.00 0.00 H new ATOM 0 HE2 MET A 102 -0.096 15.081 -0.910 1.00 0.00 H new ATOM 0 HE3 MET A 102 -0.705 16.053 0.450 1.00 0.00 H new ATOM 1604 N THR A 103 3.598 11.438 0.748 1.00 0.00 N ATOM 1605 CA THR A 103 4.652 11.113 1.702 1.00 0.00 C ATOM 1606 C THR A 103 5.293 9.769 1.370 1.00 0.00 C ATOM 1607 O THR A 103 6.447 9.519 1.714 1.00 0.00 O ATOM 1608 CB THR A 103 4.090 11.086 3.125 1.00 0.00 C ATOM 1609 OG1 THR A 103 3.464 12.317 3.440 1.00 0.00 O ATOM 1610 CG2 THR A 103 5.144 10.824 4.179 1.00 0.00 C ATOM 0 H THR A 103 2.654 11.236 1.077 1.00 0.00 H new ATOM 0 HA THR A 103 5.418 11.886 1.636 1.00 0.00 H new ATOM 0 HB THR A 103 3.374 10.264 3.138 1.00 0.00 H new ATOM 0 HG1 THR A 103 2.705 12.462 2.837 1.00 0.00 H new ATOM 0 HG21 THR A 103 4.679 10.818 5.165 1.00 0.00 H new ATOM 0 HG22 THR A 103 5.613 9.858 3.993 1.00 0.00 H new ATOM 0 HG23 THR A 103 5.901 11.608 4.140 1.00 0.00 H new ATOM 1618 N LEU A 104 4.538 8.905 0.697 1.00 0.00 N ATOM 1619 CA LEU A 104 5.036 7.589 0.318 1.00 0.00 C ATOM 1620 C LEU A 104 5.826 7.661 -0.985 1.00 0.00 C ATOM 1621 O LEU A 104 6.717 6.847 -1.228 1.00 0.00 O ATOM 1622 CB LEU A 104 3.875 6.604 0.172 1.00 0.00 C ATOM 1623 CG LEU A 104 3.029 6.407 1.431 1.00 0.00 C ATOM 1624 CD1 LEU A 104 1.581 6.124 1.062 1.00 0.00 C ATOM 1625 CD2 LEU A 104 3.596 5.281 2.282 1.00 0.00 C ATOM 0 H LEU A 104 3.580 9.094 0.404 1.00 0.00 H new ATOM 0 HA LEU A 104 5.702 7.239 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 104 3.226 6.948 -0.633 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.275 5.637 -0.133 1.00 0.00 H new ATOM 0 HG LEU A 104 3.059 7.327 2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.994 5.987 1.970 1.00 0.00 H new ATOM 0 HD12 LEU A 104 1.180 6.963 0.494 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.530 5.219 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 104 2.982 5.154 3.174 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.596 4.355 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.617 5.526 2.576 1.00 0.00 H new ATOM 1637 N GLN A 105 5.492 8.639 -1.822 1.00 0.00 N ATOM 1638 CA GLN A 105 6.170 8.815 -3.101 1.00 0.00 C ATOM 1639 C GLN A 105 7.494 9.553 -2.921 1.00 0.00 C ATOM 1640 O GLN A 105 8.443 9.336 -3.675 1.00 0.00 O ATOM 1641 CB GLN A 105 5.271 9.582 -4.075 1.00 0.00 C ATOM 1642 CG GLN A 105 5.050 11.035 -3.688 1.00 0.00 C ATOM 1643 CD GLN A 105 4.123 11.759 -4.645 1.00 0.00 C ATOM 1644 OE1 GLN A 105 3.137 11.195 -5.118 1.00 0.00 O ATOM 1645 NE2 GLN A 105 4.437 13.016 -4.936 1.00 0.00 N ATOM 0 H GLN A 105 4.756 9.321 -1.637 1.00 0.00 H new ATOM 0 HA GLN A 105 6.381 7.828 -3.511 1.00 0.00 H new ATOM 0 HB2 GLN A 105 5.713 9.544 -5.071 1.00 0.00 H new ATOM 0 HB3 GLN A 105 4.305 9.081 -4.136 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.634 11.080 -2.681 1.00 0.00 H new ATOM 0 HG3 GLN A 105 6.010 11.550 -3.659 1.00 0.00 H new ATOM 0 HE21 GLN A 105 5.264 13.444 -4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 105 3.851 13.553 -5.575 1.00 0.00 H new ATOM 1654 N GLN A 106 7.549 10.427 -1.921 1.00 0.00 N ATOM 1655 CA GLN A 106 8.756 11.198 -1.646 1.00 0.00 C ATOM 1656 C GLN A 106 9.844 10.317 -1.039 1.00 0.00 C ATOM 1657 O GLN A 106 11.018 10.437 -1.388 1.00 0.00 O ATOM 1658 CB GLN A 106 8.438 12.363 -0.705 1.00 0.00 C ATOM 1659 CG GLN A 106 8.023 11.926 0.690 1.00 0.00 C ATOM 1660 CD GLN A 106 7.754 13.099 1.612 1.00 0.00 C ATOM 1661 OE1 GLN A 106 8.431 13.274 2.626 1.00 0.00 O ATOM 1662 NE2 GLN A 106 6.761 13.910 1.265 1.00 0.00 N ATOM 0 H GLN A 106 6.772 10.619 -1.288 1.00 0.00 H new ATOM 0 HA GLN A 106 9.126 11.594 -2.592 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.314 13.006 -0.629 1.00 0.00 H new ATOM 0 HB3 GLN A 106 7.639 12.963 -1.141 1.00 0.00 H new ATOM 0 HG2 GLN A 106 7.127 11.309 0.622 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.807 11.303 1.120 1.00 0.00 H new ATOM 0 HE21 GLN A 106 6.226 13.727 0.416 1.00 0.00 H new ATOM 0 HE22 GLN A 106 6.533 14.716 1.847 1.00 0.00 H new ATOM 1671 N ILE A 107 9.447 9.434 -0.129 1.00 0.00 N ATOM 1672 CA ILE A 107 10.391 8.535 0.525 1.00 0.00 C ATOM 1673 C ILE A 107 10.934 7.498 -0.455 1.00 0.00 C ATOM 1674 O ILE A 107 12.143 7.289 -0.544 1.00 0.00 O ATOM 1675 CB ILE A 107 9.742 7.809 1.720 1.00 0.00 C ATOM 1676 CG1 ILE A 107 9.095 8.819 2.668 1.00 0.00 C ATOM 1677 CG2 ILE A 107 10.776 6.970 2.459 1.00 0.00 C ATOM 1678 CD1 ILE A 107 8.021 8.220 3.549 1.00 0.00 C ATOM 0 H ILE A 107 8.479 9.322 0.172 1.00 0.00 H new ATOM 0 HA ILE A 107 11.213 9.151 0.889 1.00 0.00 H new ATOM 0 HB ILE A 107 8.966 7.143 1.342 1.00 0.00 H new ATOM 0 HG12 ILE A 107 9.867 9.259 3.299 1.00 0.00 H new ATOM 0 HG13 ILE A 107 8.662 9.630 2.082 1.00 0.00 H new ATOM 0 HG21 ILE A 107 10.301 6.464 3.300 1.00 0.00 H new ATOM 0 HG22 ILE A 107 11.196 6.228 1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 107 11.573 7.616 2.828 1.00 0.00 H new ATOM 0 HD11 ILE A 107 7.607 8.994 4.195 1.00 0.00 H new ATOM 0 HD12 ILE A 107 7.229 7.805 2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 107 8.453 7.429 4.162 1.00 0.00 H new ATOM 1690 N ILE A 108 10.032 6.853 -1.187 1.00 0.00 N ATOM 1691 CA ILE A 108 10.424 5.839 -2.159 1.00 0.00 C ATOM 1692 C ILE A 108 11.228 6.455 -3.300 1.00 0.00 C ATOM 1693 O ILE A 108 12.267 5.928 -3.696 1.00 0.00 O ATOM 1694 CB ILE A 108 9.196 5.110 -2.741 1.00 0.00 C ATOM 1695 CG1 ILE A 108 8.322 4.556 -1.615 1.00 0.00 C ATOM 1696 CG2 ILE A 108 9.634 3.991 -3.676 1.00 0.00 C ATOM 1697 CD1 ILE A 108 6.908 4.235 -2.049 1.00 0.00 C ATOM 0 H ILE A 108 9.027 7.014 -1.126 1.00 0.00 H new ATOM 0 HA ILE A 108 11.045 5.116 -1.630 1.00 0.00 H new ATOM 0 HB ILE A 108 8.608 5.827 -3.314 1.00 0.00 H new ATOM 0 HG12 ILE A 108 8.785 3.653 -1.217 1.00 0.00 H new ATOM 0 HG13 ILE A 108 8.288 5.281 -0.802 1.00 0.00 H new ATOM 0 HG21 ILE A 108 8.755 3.487 -4.078 1.00 0.00 H new ATOM 0 HG22 ILE A 108 10.218 4.409 -4.495 1.00 0.00 H new ATOM 0 HG23 ILE A 108 10.243 3.274 -3.125 1.00 0.00 H new ATOM 0 HD11 ILE A 108 6.346 3.847 -1.200 1.00 0.00 H new ATOM 0 HD12 ILE A 108 6.427 5.140 -2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 108 6.932 3.487 -2.841 1.00 0.00 H new ATOM 1709 N SER A 109 10.740 7.575 -3.824 1.00 0.00 N ATOM 1710 CA SER A 109 11.414 8.263 -4.919 1.00 0.00 C ATOM 1711 C SER A 109 12.780 8.779 -4.478 1.00 0.00 C ATOM 1712 O SER A 109 13.704 8.883 -5.284 1.00 0.00 O ATOM 1713 CB SER A 109 10.556 9.423 -5.426 1.00 0.00 C ATOM 1714 OG SER A 109 10.509 10.475 -4.477 1.00 0.00 O ATOM 0 H SER A 109 9.881 8.025 -3.508 1.00 0.00 H new ATOM 0 HA SER A 109 11.560 7.548 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 109 10.961 9.795 -6.367 1.00 0.00 H new ATOM 0 HB3 SER A 109 9.546 9.069 -5.632 1.00 0.00 H new ATOM 0 HG SER A 109 9.907 10.228 -3.744 1.00 0.00 H new ATOM 1720 N ARG A 110 12.900 9.102 -3.195 1.00 0.00 N ATOM 1721 CA ARG A 110 14.153 9.607 -2.647 1.00 0.00 C ATOM 1722 C ARG A 110 15.214 8.512 -2.616 1.00 0.00 C ATOM 1723 O ARG A 110 16.392 8.767 -2.870 1.00 0.00 O ATOM 1724 CB ARG A 110 13.932 10.161 -1.238 1.00 0.00 C ATOM 1725 CG ARG A 110 13.732 11.668 -1.201 1.00 0.00 C ATOM 1726 CD ARG A 110 13.969 12.226 0.193 1.00 0.00 C ATOM 1727 NE ARG A 110 13.235 13.470 0.417 1.00 0.00 N ATOM 1728 CZ ARG A 110 13.320 14.190 1.533 1.00 0.00 C ATOM 1729 NH1 ARG A 110 14.105 13.794 2.528 1.00 0.00 N ATOM 1730 NH2 ARG A 110 12.619 15.309 1.655 1.00 0.00 N ATOM 0 H ARG A 110 12.144 9.023 -2.515 1.00 0.00 H new ATOM 0 HA ARG A 110 14.506 10.410 -3.294 1.00 0.00 H new ATOM 0 HB2 ARG A 110 13.060 9.676 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 110 14.789 9.901 -0.616 1.00 0.00 H new ATOM 0 HG2 ARG A 110 14.414 12.144 -1.906 1.00 0.00 H new ATOM 0 HG3 ARG A 110 12.719 11.910 -1.524 1.00 0.00 H new ATOM 0 HD2 ARG A 110 13.666 11.488 0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 110 15.035 12.403 0.336 1.00 0.00 H new ATOM 0 HE ARG A 110 12.622 13.806 -0.326 1.00 0.00 H new ATOM 0 HH11 ARG A 110 14.647 12.934 2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 110 14.166 14.350 3.381 1.00 0.00 H new ATOM 0 HH21 ARG A 110 12.015 15.618 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 110 12.684 15.861 2.510 1.00 0.00 H new ATOM 1744 N TYR A 111 14.790 7.292 -2.302 1.00 0.00 N ATOM 1745 CA TYR A 111 15.706 6.158 -2.237 1.00 0.00 C ATOM 1746 C TYR A 111 15.821 5.457 -3.590 1.00 0.00 C ATOM 1747 O TYR A 111 16.704 4.623 -3.790 1.00 0.00 O ATOM 1748 CB TYR A 111 15.239 5.162 -1.174 1.00 0.00 C ATOM 1749 CG TYR A 111 15.036 5.781 0.191 1.00 0.00 C ATOM 1750 CD1 TYR A 111 15.933 6.717 0.691 1.00 0.00 C ATOM 1751 CD2 TYR A 111 13.948 5.429 0.980 1.00 0.00 C ATOM 1752 CE1 TYR A 111 15.751 7.285 1.938 1.00 0.00 C ATOM 1753 CE2 TYR A 111 13.758 5.993 2.227 1.00 0.00 C ATOM 1754 CZ TYR A 111 14.662 6.920 2.702 1.00 0.00 C ATOM 1755 OH TYR A 111 14.478 7.483 3.943 1.00 0.00 O ATOM 0 H TYR A 111 13.819 7.063 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 111 16.691 6.540 -1.967 1.00 0.00 H new ATOM 0 HB2 TYR A 111 14.303 4.708 -1.500 1.00 0.00 H new ATOM 0 HB3 TYR A 111 15.972 4.359 -1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 111 16.787 7.006 0.095 1.00 0.00 H new ATOM 0 HD2 TYR A 111 13.239 4.702 0.612 1.00 0.00 H new ATOM 0 HE1 TYR A 111 16.458 8.011 2.312 1.00 0.00 H new ATOM 0 HE2 TYR A 111 12.906 5.709 2.827 1.00 0.00 H new ATOM 0 HH TYR A 111 15.021 7.004 4.603 1.00 0.00 H new ATOM 1765 N LYS A 112 14.929 5.798 -4.517 1.00 0.00 N ATOM 1766 CA LYS A 112 14.942 5.197 -5.845 1.00 0.00 C ATOM 1767 C LYS A 112 16.115 5.723 -6.667 1.00 0.00 C ATOM 1768 O LYS A 112 16.664 5.014 -7.510 1.00 0.00 O ATOM 1769 CB LYS A 112 13.626 5.482 -6.571 1.00 0.00 C ATOM 1770 CG LYS A 112 12.573 4.405 -6.366 1.00 0.00 C ATOM 1771 CD LYS A 112 11.728 4.207 -7.614 1.00 0.00 C ATOM 1772 CE LYS A 112 10.278 3.916 -7.264 1.00 0.00 C ATOM 1773 NZ LYS A 112 9.561 5.139 -6.807 1.00 0.00 N ATOM 0 H LYS A 112 14.190 6.486 -4.372 1.00 0.00 H new ATOM 0 HA LYS A 112 15.057 4.119 -5.728 1.00 0.00 H new ATOM 0 HB2 LYS A 112 13.229 6.437 -6.226 1.00 0.00 H new ATOM 0 HB3 LYS A 112 13.824 5.586 -7.638 1.00 0.00 H new ATOM 0 HG2 LYS A 112 13.059 3.466 -6.101 1.00 0.00 H new ATOM 0 HG3 LYS A 112 11.930 4.678 -5.529 1.00 0.00 H new ATOM 0 HD2 LYS A 112 11.781 5.100 -8.236 1.00 0.00 H new ATOM 0 HD3 LYS A 112 12.134 3.384 -8.203 1.00 0.00 H new ATOM 0 HE2 LYS A 112 9.770 3.502 -8.135 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.238 3.158 -6.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 8.773 4.867 -6.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 10.219 5.752 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 9.190 5.652 -7.632 1.00 0.00 H new ATOM 1892 N TRP B 458 -11.453 -5.013 -4.840 1.00 0.00 N ATOM 1893 CA TRP B 458 -10.590 -3.838 -4.838 1.00 0.00 C ATOM 1894 C TRP B 458 -9.564 -3.895 -5.972 1.00 0.00 C ATOM 1895 O TRP B 458 -8.745 -2.989 -6.122 1.00 0.00 O ATOM 1896 CB TRP B 458 -9.869 -3.709 -3.495 1.00 0.00 C ATOM 1897 CG TRP B 458 -10.779 -3.844 -2.311 1.00 0.00 C ATOM 1898 CD1 TRP B 458 -10.550 -4.582 -1.185 1.00 0.00 C ATOM 1899 CD2 TRP B 458 -12.059 -3.225 -2.132 1.00 0.00 C ATOM 1900 NE1 TRP B 458 -11.609 -4.462 -0.318 1.00 0.00 N ATOM 1901 CE2 TRP B 458 -12.547 -3.634 -0.876 1.00 0.00 C ATOM 1902 CE3 TRP B 458 -12.839 -2.364 -2.909 1.00 0.00 C ATOM 1903 CZ2 TRP B 458 -13.779 -3.212 -0.382 1.00 0.00 C ATOM 1904 CZ3 TRP B 458 -14.062 -1.946 -2.418 1.00 0.00 C ATOM 1905 CH2 TRP B 458 -14.521 -2.370 -1.164 1.00 0.00 C ATOM 0 HA TRP B 458 -11.223 -2.964 -4.994 1.00 0.00 H new ATOM 0 HB2 TRP B 458 -9.092 -4.471 -3.434 1.00 0.00 H new ATOM 0 HB3 TRP B 458 -9.370 -2.741 -3.451 1.00 0.00 H new ATOM 0 HD1 TRP B 458 -9.665 -5.174 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP B 458 -11.685 -4.915 0.593 1.00 0.00 H new ATOM 0 HE3 TRP B 458 -12.492 -2.031 -3.876 1.00 0.00 H new ATOM 0 HZ2 TRP B 458 -14.136 -3.538 0.584 1.00 0.00 H new ATOM 0 HZ3 TRP B 458 -14.673 -1.282 -3.011 1.00 0.00 H new ATOM 0 HH2 TRP B 458 -15.480 -2.025 -0.807 1.00 0.00 H new ATOM 1916 N ASP B 459 -9.606 -4.965 -6.762 1.00 0.00 N ATOM 1917 CA ASP B 459 -8.672 -5.131 -7.870 1.00 0.00 C ATOM 1918 C ASP B 459 -9.058 -4.259 -9.064 1.00 0.00 C ATOM 1919 O ASP B 459 -8.219 -3.943 -9.906 1.00 0.00 O ATOM 1920 CB ASP B 459 -8.615 -6.600 -8.297 1.00 0.00 C ATOM 1921 CG ASP B 459 -7.195 -7.081 -8.522 1.00 0.00 C ATOM 1922 OD1 ASP B 459 -6.453 -7.229 -7.528 1.00 0.00 O ATOM 1923 OD2 ASP B 459 -6.824 -7.309 -9.693 1.00 0.00 O ATOM 0 H ASP B 459 -10.275 -5.727 -6.655 1.00 0.00 H new ATOM 0 HA ASP B 459 -7.688 -4.815 -7.524 1.00 0.00 H new ATOM 0 HB2 ASP B 459 -9.088 -7.217 -7.533 1.00 0.00 H new ATOM 0 HB3 ASP B 459 -9.190 -6.732 -9.214 1.00 0.00 H new ATOM 1928 N TYR B 460 -10.330 -3.875 -9.137 1.00 0.00 N ATOM 1929 CA TYR B 460 -10.811 -3.046 -10.239 1.00 0.00 C ATOM 1930 C TYR B 460 -10.921 -1.575 -9.837 1.00 0.00 C ATOM 1931 O TYR B 460 -11.203 -0.719 -10.675 1.00 0.00 O ATOM 1932 CB TYR B 460 -12.167 -3.554 -10.736 1.00 0.00 C ATOM 1933 CG TYR B 460 -13.240 -3.578 -9.670 1.00 0.00 C ATOM 1934 CD1 TYR B 460 -13.757 -2.398 -9.150 1.00 0.00 C ATOM 1935 CD2 TYR B 460 -13.738 -4.781 -9.188 1.00 0.00 C ATOM 1936 CE1 TYR B 460 -14.739 -2.417 -8.178 1.00 0.00 C ATOM 1937 CE2 TYR B 460 -14.722 -4.808 -8.217 1.00 0.00 C ATOM 1938 CZ TYR B 460 -15.218 -3.624 -7.715 1.00 0.00 C ATOM 1939 OH TYR B 460 -16.197 -3.647 -6.749 1.00 0.00 O ATOM 0 H TYR B 460 -11.043 -4.123 -8.451 1.00 0.00 H new ATOM 0 HA TYR B 460 -10.080 -3.119 -11.045 1.00 0.00 H new ATOM 0 HB2 TYR B 460 -12.501 -2.923 -11.560 1.00 0.00 H new ATOM 0 HB3 TYR B 460 -12.043 -4.560 -11.136 1.00 0.00 H new ATOM 0 HD1 TYR B 460 -13.385 -1.450 -9.511 1.00 0.00 H new ATOM 0 HD2 TYR B 460 -13.351 -5.711 -9.578 1.00 0.00 H new ATOM 0 HE1 TYR B 460 -15.129 -1.491 -7.783 1.00 0.00 H new ATOM 0 HE2 TYR B 460 -15.100 -5.752 -7.854 1.00 0.00 H new ATOM 0 HH TYR B 460 -16.423 -4.576 -6.535 1.00 0.00 H new ATOM 1949 N ILE B 461 -10.698 -1.281 -8.558 1.00 0.00 N ATOM 1950 CA ILE B 461 -10.778 0.093 -8.072 1.00 0.00 C ATOM 1951 C ILE B 461 -9.390 0.714 -7.937 1.00 0.00 C ATOM 1952 O ILE B 461 -9.168 1.855 -8.341 1.00 0.00 O ATOM 1953 CB ILE B 461 -11.504 0.172 -6.713 1.00 0.00 C ATOM 1954 CG1 ILE B 461 -11.730 1.632 -6.315 1.00 0.00 C ATOM 1955 CG2 ILE B 461 -10.713 -0.560 -5.639 1.00 0.00 C ATOM 1956 CD1 ILE B 461 -12.405 1.796 -4.970 1.00 0.00 C ATOM 0 H ILE B 461 -10.462 -1.971 -7.845 1.00 0.00 H new ATOM 0 HA ILE B 461 -11.351 0.654 -8.811 1.00 0.00 H new ATOM 0 HB ILE B 461 -12.475 -0.314 -6.811 1.00 0.00 H new ATOM 0 HG12 ILE B 461 -10.770 2.147 -6.295 1.00 0.00 H new ATOM 0 HG13 ILE B 461 -12.337 2.118 -7.079 1.00 0.00 H new ATOM 0 HG21 ILE B 461 -11.242 -0.493 -4.688 1.00 0.00 H new ATOM 0 HG22 ILE B 461 -10.602 -1.608 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE B 461 -9.728 -0.105 -5.539 1.00 0.00 H new ATOM 0 HD11 ILE B 461 -12.533 2.857 -4.754 1.00 0.00 H new ATOM 0 HD12 ILE B 461 -13.380 1.310 -4.991 1.00 0.00 H new ATOM 0 HD13 ILE B 461 -11.789 1.340 -4.196 1.00 0.00 H new ATOM 1968 N PHE B 462 -8.460 -0.045 -7.366 1.00 0.00 N ATOM 1969 CA PHE B 462 -7.094 0.431 -7.176 1.00 0.00 C ATOM 1970 C PHE B 462 -6.280 0.276 -8.456 1.00 0.00 C ATOM 1971 O PHE B 462 -5.734 1.248 -8.977 1.00 0.00 O ATOM 1972 CB PHE B 462 -6.423 -0.332 -6.033 1.00 0.00 C ATOM 1973 CG PHE B 462 -7.020 -0.036 -4.687 1.00 0.00 C ATOM 1974 CD1 PHE B 462 -7.054 1.261 -4.201 1.00 0.00 C ATOM 1975 CD2 PHE B 462 -7.547 -1.053 -3.910 1.00 0.00 C ATOM 1976 CE1 PHE B 462 -7.602 1.537 -2.963 1.00 0.00 C ATOM 1977 CE2 PHE B 462 -8.097 -0.784 -2.671 1.00 0.00 C ATOM 1978 CZ PHE B 462 -8.125 0.513 -2.197 1.00 0.00 C ATOM 0 H PHE B 462 -8.627 -0.992 -7.027 1.00 0.00 H new ATOM 0 HA PHE B 462 -7.136 1.490 -6.922 1.00 0.00 H new ATOM 0 HB2 PHE B 462 -6.497 -1.402 -6.228 1.00 0.00 H new ATOM 0 HB3 PHE B 462 -5.362 -0.084 -6.014 1.00 0.00 H new ATOM 0 HD1 PHE B 462 -6.648 2.065 -4.796 1.00 0.00 H new ATOM 0 HD2 PHE B 462 -7.528 -2.069 -4.276 1.00 0.00 H new ATOM 0 HE1 PHE B 462 -7.621 2.552 -2.595 1.00 0.00 H new ATOM 0 HE2 PHE B 462 -8.504 -1.587 -2.074 1.00 0.00 H new ATOM 0 HZ PHE B 462 -8.555 0.726 -1.229 1.00 0.00 H new ATOM 1988 N GLU B 463 -6.201 -0.952 -8.958 1.00 0.00 N ATOM 1989 CA GLU B 463 -5.453 -1.233 -10.177 1.00 0.00 C ATOM 1990 C GLU B 463 -6.018 -0.446 -11.355 1.00 0.00 C ATOM 1991 O GLU B 463 -5.337 0.401 -11.933 1.00 0.00 O ATOM 1992 CB GLU B 463 -5.484 -2.731 -10.488 1.00 0.00 C ATOM 1993 CG GLU B 463 -5.232 -3.610 -9.274 1.00 0.00 C ATOM 1994 CD GLU B 463 -4.546 -4.914 -9.630 1.00 0.00 C ATOM 1995 OE1 GLU B 463 -3.914 -4.977 -10.706 1.00 0.00 O ATOM 1996 OE2 GLU B 463 -4.641 -5.872 -8.835 1.00 0.00 O ATOM 0 H GLU B 463 -6.646 -1.768 -8.539 1.00 0.00 H new ATOM 0 HA GLU B 463 -4.420 -0.924 -10.018 1.00 0.00 H new ATOM 0 HB2 GLU B 463 -6.454 -2.985 -10.915 1.00 0.00 H new ATOM 0 HB3 GLU B 463 -4.734 -2.951 -11.248 1.00 0.00 H new ATOM 0 HG2 GLU B 463 -4.618 -3.065 -8.557 1.00 0.00 H new ATOM 0 HG3 GLU B 463 -6.181 -3.825 -8.783 1.00 0.00 H new