USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ 166:sc= 0 (180deg=-0.231) USER MOD Single : A 1 SER OG : rot -40:sc= 1.01 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc=-0.00692 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -2.19! C(o=-2.2!,f=-4.3!) USER MOD Single : A 22 ASN : amide:sc= 1.09 K(o=1.1,f=-0.18) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0173 USER MOD Single : A 26 LYS NZ :NH3+ -148:sc= -0.0503 (180deg=-0.798) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl 144:sc= -0.162 (180deg=-0.383) USER MOD Single : A 37 SER OG : rot -46:sc= 0.579 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -143:sc= -0.106 (180deg=-0.664) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -10.4! C(o=-10!,f=-9!) USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.282 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.00806 USER MOD Single : A 57 SER OG : rot 180:sc= -0.0161 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.31! USER MOD Single : A 73 SER OG : rot 83:sc= 0.19 USER MOD Single : A 74 MET CE :methyl -158:sc= -0.272 (180deg=-1.35!) USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -57:sc= 0.964 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.734 17.426 -1.187 1.00 0.00 N ATOM 2 CA SER A 1 4.736 17.097 -0.131 1.00 0.00 C ATOM 3 C SER A 1 3.725 16.088 -0.680 1.00 0.00 C ATOM 4 O SER A 1 2.547 16.134 -0.385 1.00 0.00 O ATOM 5 CB SER A 1 4.002 18.371 0.291 1.00 0.00 C ATOM 6 OG SER A 1 2.955 18.033 1.192 1.00 0.00 O ATOM 0 H1 SER A 1 6.270 18.272 -0.907 1.00 0.00 H new ATOM 0 H2 SER A 1 6.388 16.626 -1.308 1.00 0.00 H new ATOM 0 H3 SER A 1 5.242 17.610 -2.085 1.00 0.00 H new ATOM 0 HA SER A 1 5.248 16.668 0.730 1.00 0.00 H new ATOM 0 HB2 SER A 1 4.696 19.064 0.766 1.00 0.00 H new ATOM 0 HB3 SER A 1 3.595 18.877 -0.584 1.00 0.00 H new ATOM 0 HG SER A 1 2.515 17.212 0.889 1.00 0.00 H new ATOM 14 N ASP A 2 4.194 15.196 -1.512 1.00 0.00 N ATOM 15 CA ASP A 2 3.301 14.184 -2.144 1.00 0.00 C ATOM 16 C ASP A 2 2.671 13.265 -1.098 1.00 0.00 C ATOM 17 O ASP A 2 3.305 12.383 -0.555 1.00 0.00 O ATOM 18 CB ASP A 2 4.124 13.338 -3.119 1.00 0.00 C ATOM 19 CG ASP A 2 3.251 12.224 -3.702 1.00 0.00 C ATOM 20 OD1 ASP A 2 3.126 11.196 -3.056 1.00 0.00 O ATOM 21 OD2 ASP A 2 2.723 12.417 -4.784 1.00 0.00 O ATOM 0 H ASP A 2 5.175 15.126 -1.784 1.00 0.00 H new ATOM 0 HA ASP A 2 2.500 14.709 -2.665 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.513 13.966 -3.921 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.984 12.908 -2.606 1.00 0.00 H new ATOM 26 N VAL A 3 1.420 13.490 -0.813 1.00 0.00 N ATOM 27 CA VAL A 3 0.704 12.668 0.198 1.00 0.00 C ATOM 28 C VAL A 3 0.359 11.280 -0.366 1.00 0.00 C ATOM 29 O VAL A 3 -0.072 10.413 0.368 1.00 0.00 O ATOM 30 CB VAL A 3 -0.601 13.402 0.597 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.355 14.912 0.600 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.744 13.089 -0.384 1.00 0.00 C ATOM 0 H VAL A 3 0.855 14.221 -1.245 1.00 0.00 H new ATOM 0 HA VAL A 3 1.348 12.532 1.067 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.890 13.058 1.590 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.272 15.430 0.881 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.430 15.151 1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.047 15.233 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.644 13.620 -0.075 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.461 13.409 -1.387 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.938 12.016 -0.386 1.00 0.00 H new ATOM 42 N TYR A 4 0.478 11.053 -1.658 1.00 0.00 N ATOM 43 CA TYR A 4 0.061 9.712 -2.188 1.00 0.00 C ATOM 44 C TYR A 4 1.123 8.642 -1.861 1.00 0.00 C ATOM 45 O TYR A 4 0.819 7.596 -1.324 1.00 0.00 O ATOM 46 CB TYR A 4 -0.212 9.809 -3.694 1.00 0.00 C ATOM 47 CG TYR A 4 -1.645 10.219 -3.962 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.674 9.278 -3.838 1.00 0.00 C ATOM 49 CD2 TYR A 4 -1.941 11.528 -4.361 1.00 0.00 C ATOM 50 CE1 TYR A 4 -3.996 9.643 -4.112 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.264 11.894 -4.638 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.292 10.951 -4.516 1.00 0.00 C ATOM 53 OH TYR A 4 -5.595 11.310 -4.789 1.00 0.00 O ATOM 0 H TYR A 4 0.834 11.715 -2.348 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.863 9.404 -1.699 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.467 10.533 -4.144 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.011 8.847 -4.166 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.447 8.268 -3.530 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.149 12.256 -4.455 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.789 8.916 -4.012 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.492 12.904 -4.946 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.626 12.253 -5.055 1.00 0.00 H new ATOM 63 N CYS A 5 2.366 8.907 -2.185 1.00 0.00 N ATOM 64 CA CYS A 5 3.453 7.918 -1.896 1.00 0.00 C ATOM 65 C CYS A 5 3.415 7.586 -0.393 1.00 0.00 C ATOM 66 O CYS A 5 3.550 6.442 -0.008 1.00 0.00 O ATOM 67 CB CYS A 5 4.811 8.543 -2.274 1.00 0.00 C ATOM 68 SG CYS A 5 5.996 7.256 -2.753 1.00 0.00 S ATOM 0 H CYS A 5 2.675 9.767 -2.638 1.00 0.00 H new ATOM 0 HA CYS A 5 3.313 7.005 -2.474 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.677 9.246 -3.096 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.204 9.110 -1.430 1.00 0.00 H new ATOM 73 N GLU A 6 3.254 8.560 0.460 1.00 0.00 N ATOM 74 CA GLU A 6 3.235 8.262 1.922 1.00 0.00 C ATOM 75 C GLU A 6 2.132 7.254 2.238 1.00 0.00 C ATOM 76 O GLU A 6 2.309 6.358 3.039 1.00 0.00 O ATOM 77 CB GLU A 6 2.988 9.551 2.707 1.00 0.00 C ATOM 78 CG GLU A 6 3.931 10.638 2.197 1.00 0.00 C ATOM 79 CD GLU A 6 3.719 11.921 3.003 1.00 0.00 C ATOM 80 OE1 GLU A 6 4.064 11.925 4.173 1.00 0.00 O ATOM 81 OE2 GLU A 6 3.216 12.878 2.436 1.00 0.00 O ATOM 0 H GLU A 6 3.136 9.542 0.212 1.00 0.00 H new ATOM 0 HA GLU A 6 4.198 7.839 2.209 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.952 9.868 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.152 9.380 3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 6 4.966 10.307 2.286 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.747 10.826 1.139 1.00 0.00 H new ATOM 88 N VAL A 7 0.988 7.401 1.634 1.00 0.00 N ATOM 89 CA VAL A 7 -0.129 6.459 1.923 1.00 0.00 C ATOM 90 C VAL A 7 0.160 5.069 1.326 1.00 0.00 C ATOM 91 O VAL A 7 -0.139 4.060 1.933 1.00 0.00 O ATOM 92 CB VAL A 7 -1.439 7.038 1.370 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.540 5.969 1.409 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.874 8.268 2.200 1.00 0.00 C ATOM 0 H VAL A 7 0.777 8.131 0.954 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.226 6.336 3.002 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.276 7.349 0.338 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.467 6.387 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.240 5.115 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.696 5.645 2.438 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.804 8.668 1.797 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.026 7.971 3.238 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.099 9.033 2.151 1.00 0.00 H new ATOM 104 N CYS A 8 0.738 4.997 0.149 1.00 0.00 N ATOM 105 CA CYS A 8 1.036 3.666 -0.462 1.00 0.00 C ATOM 106 C CYS A 8 1.953 2.879 0.469 1.00 0.00 C ATOM 107 O CYS A 8 1.714 1.725 0.763 1.00 0.00 O ATOM 108 CB CYS A 8 1.712 3.889 -1.830 1.00 0.00 C ATOM 109 SG CYS A 8 3.499 4.119 -1.652 1.00 0.00 S ATOM 0 H CYS A 8 1.015 5.803 -0.412 1.00 0.00 H new ATOM 0 HA CYS A 8 0.117 3.098 -0.606 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.516 3.035 -2.478 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.277 4.763 -2.315 1.00 0.00 H new ATOM 114 N GLU A 9 3.005 3.491 0.929 1.00 0.00 N ATOM 115 CA GLU A 9 3.931 2.771 1.830 1.00 0.00 C ATOM 116 C GLU A 9 3.221 2.465 3.143 1.00 0.00 C ATOM 117 O GLU A 9 3.534 1.494 3.802 1.00 0.00 O ATOM 118 CB GLU A 9 5.159 3.644 2.109 1.00 0.00 C ATOM 119 CG GLU A 9 5.927 3.882 0.808 1.00 0.00 C ATOM 120 CD GLU A 9 7.316 4.436 1.128 1.00 0.00 C ATOM 121 OE1 GLU A 9 8.025 3.801 1.892 1.00 0.00 O ATOM 122 OE2 GLU A 9 7.649 5.487 0.603 1.00 0.00 O ATOM 0 H GLU A 9 3.260 4.456 0.719 1.00 0.00 H new ATOM 0 HA GLU A 9 4.247 1.841 1.358 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.850 4.596 2.540 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.805 3.158 2.840 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.016 2.950 0.250 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.382 4.582 0.175 1.00 0.00 H new ATOM 129 N PHE A 10 2.263 3.262 3.546 1.00 0.00 N ATOM 130 CA PHE A 10 1.575 2.945 4.824 1.00 0.00 C ATOM 131 C PHE A 10 0.745 1.661 4.656 1.00 0.00 C ATOM 132 O PHE A 10 0.815 0.765 5.472 1.00 0.00 O ATOM 133 CB PHE A 10 0.661 4.097 5.248 1.00 0.00 C ATOM 134 CG PHE A 10 -0.044 3.688 6.514 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.538 3.955 7.757 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.262 3.009 6.440 1.00 0.00 C ATOM 137 CE1 PHE A 10 -0.100 3.540 8.932 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.906 2.597 7.614 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.322 2.861 8.859 1.00 0.00 C ATOM 0 H PHE A 10 1.937 4.096 3.057 1.00 0.00 H new ATOM 0 HA PHE A 10 2.328 2.798 5.598 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.242 5.005 5.411 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -0.062 4.319 4.463 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.480 4.481 7.811 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.707 2.802 5.478 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.350 3.743 9.893 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.851 2.077 7.559 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.815 2.540 9.765 1.00 0.00 H new ATOM 149 N LEU A 11 -0.027 1.553 3.603 1.00 0.00 N ATOM 150 CA LEU A 11 -0.833 0.309 3.405 1.00 0.00 C ATOM 151 C LEU A 11 0.115 -0.878 3.248 1.00 0.00 C ATOM 152 O LEU A 11 -0.110 -1.930 3.812 1.00 0.00 O ATOM 153 CB LEU A 11 -1.707 0.416 2.142 1.00 0.00 C ATOM 154 CG LEU A 11 -2.714 1.571 2.286 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.248 1.961 0.903 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.896 1.148 3.172 1.00 0.00 C ATOM 0 H LEU A 11 -0.134 2.264 2.879 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.481 0.173 4.271 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.077 0.581 1.268 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.239 -0.521 1.979 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.205 2.418 2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.961 2.779 1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.420 2.279 0.270 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.743 1.103 0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.598 1.977 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.401 0.293 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.529 0.873 4.161 1.00 0.00 H new ATOM 168 N VAL A 12 1.169 -0.740 2.488 1.00 0.00 N ATOM 169 CA VAL A 12 2.104 -1.882 2.312 1.00 0.00 C ATOM 170 C VAL A 12 2.660 -2.313 3.683 1.00 0.00 C ATOM 171 O VAL A 12 2.653 -3.478 4.016 1.00 0.00 O ATOM 172 CB VAL A 12 3.246 -1.430 1.379 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.476 -2.330 1.538 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.769 -1.494 -0.077 1.00 0.00 C ATOM 0 H VAL A 12 1.420 0.111 1.985 1.00 0.00 H new ATOM 0 HA VAL A 12 1.588 -2.735 1.872 1.00 0.00 H new ATOM 0 HB VAL A 12 3.521 -0.410 1.645 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.266 -1.989 0.869 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.829 -2.285 2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.209 -3.357 1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.575 -1.175 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.483 -2.517 -0.321 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.910 -0.836 -0.208 1.00 0.00 H new ATOM 184 N LYS A 13 3.135 -1.385 4.480 1.00 0.00 N ATOM 185 CA LYS A 13 3.687 -1.761 5.821 1.00 0.00 C ATOM 186 C LYS A 13 2.601 -2.462 6.641 1.00 0.00 C ATOM 187 O LYS A 13 2.849 -3.443 7.316 1.00 0.00 O ATOM 188 CB LYS A 13 4.166 -0.494 6.553 1.00 0.00 C ATOM 189 CG LYS A 13 4.406 -0.791 8.053 1.00 0.00 C ATOM 190 CD LYS A 13 5.554 0.073 8.589 1.00 0.00 C ATOM 191 CE LYS A 13 5.190 1.551 8.453 1.00 0.00 C ATOM 192 NZ LYS A 13 6.230 2.382 9.124 1.00 0.00 N ATOM 0 H LYS A 13 3.164 -0.389 4.262 1.00 0.00 H new ATOM 0 HA LYS A 13 4.531 -2.439 5.693 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.086 -0.130 6.097 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.423 0.297 6.447 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.497 -0.592 8.620 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.642 -1.846 8.189 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.748 -0.170 9.634 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.470 -0.139 8.037 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.115 1.823 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.214 1.739 8.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.983 3.388 9.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.280 2.129 10.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.153 2.210 8.677 1.00 0.00 H new ATOM 206 N GLU A 14 1.408 -1.948 6.606 1.00 0.00 N ATOM 207 CA GLU A 14 0.308 -2.559 7.402 1.00 0.00 C ATOM 208 C GLU A 14 -0.082 -3.906 6.790 1.00 0.00 C ATOM 209 O GLU A 14 -0.403 -4.841 7.496 1.00 0.00 O ATOM 210 CB GLU A 14 -0.899 -1.593 7.412 1.00 0.00 C ATOM 211 CG GLU A 14 -1.536 -1.545 8.808 1.00 0.00 C ATOM 212 CD GLU A 14 -2.100 -2.922 9.161 1.00 0.00 C ATOM 213 OE1 GLU A 14 -1.333 -3.756 9.613 1.00 0.00 O ATOM 214 OE2 GLU A 14 -3.289 -3.120 8.974 1.00 0.00 O ATOM 0 H GLU A 14 1.144 -1.128 6.059 1.00 0.00 H new ATOM 0 HA GLU A 14 0.636 -2.730 8.427 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -0.576 -0.594 7.119 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.638 -1.917 6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.794 -1.244 9.547 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.330 -0.799 8.831 1.00 0.00 H new ATOM 221 N VAL A 15 -0.072 -4.021 5.494 1.00 0.00 N ATOM 222 CA VAL A 15 -0.465 -5.318 4.885 1.00 0.00 C ATOM 223 C VAL A 15 0.582 -6.394 5.204 1.00 0.00 C ATOM 224 O VAL A 15 0.239 -7.519 5.482 1.00 0.00 O ATOM 225 CB VAL A 15 -0.633 -5.156 3.359 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.547 -6.522 2.660 1.00 0.00 C ATOM 227 CG2 VAL A 15 -2.001 -4.532 3.061 1.00 0.00 C ATOM 0 H VAL A 15 0.187 -3.284 4.838 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.419 -5.633 5.307 1.00 0.00 H new ATOM 0 HB VAL A 15 0.165 -4.513 2.987 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.668 -6.389 1.585 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.424 -6.974 2.863 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.336 -7.173 3.036 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.121 -4.417 1.984 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.788 -5.180 3.447 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.067 -3.555 3.540 1.00 0.00 H new ATOM 237 N THR A 16 1.852 -6.101 5.135 1.00 0.00 N ATOM 238 CA THR A 16 2.820 -7.198 5.410 1.00 0.00 C ATOM 239 C THR A 16 2.682 -7.683 6.846 1.00 0.00 C ATOM 240 O THR A 16 2.762 -8.867 7.109 1.00 0.00 O ATOM 241 CB THR A 16 4.269 -6.792 5.156 1.00 0.00 C ATOM 242 OG1 THR A 16 4.810 -6.213 6.335 1.00 0.00 O ATOM 243 CG2 THR A 16 4.377 -5.792 3.997 1.00 0.00 C ATOM 0 H THR A 16 2.249 -5.189 4.910 1.00 0.00 H new ATOM 0 HA THR A 16 2.575 -8.001 4.715 1.00 0.00 H new ATOM 0 HB THR A 16 4.831 -7.686 4.884 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.741 -5.953 6.174 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.422 -5.524 3.844 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.981 -6.245 3.088 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.804 -4.896 4.235 1.00 0.00 H new ATOM 251 N LYS A 17 2.457 -6.811 7.789 1.00 0.00 N ATOM 252 CA LYS A 17 2.305 -7.314 9.176 1.00 0.00 C ATOM 253 C LYS A 17 1.092 -8.238 9.183 1.00 0.00 C ATOM 254 O LYS A 17 1.028 -9.216 9.901 1.00 0.00 O ATOM 255 CB LYS A 17 2.074 -6.157 10.161 1.00 0.00 C ATOM 256 CG LYS A 17 1.518 -6.722 11.483 1.00 0.00 C ATOM 257 CD LYS A 17 1.802 -5.772 12.642 1.00 0.00 C ATOM 258 CE LYS A 17 1.322 -6.428 13.942 1.00 0.00 C ATOM 259 NZ LYS A 17 1.861 -5.675 15.109 1.00 0.00 N ATOM 0 H LYS A 17 2.374 -5.802 7.664 1.00 0.00 H new ATOM 0 HA LYS A 17 3.210 -7.836 9.487 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.008 -5.626 10.343 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.375 -5.436 9.737 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.443 -6.880 11.392 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.968 -7.694 11.686 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.868 -5.554 12.700 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.291 -4.822 12.486 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.233 -6.439 13.975 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.653 -7.466 13.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.535 -6.121 15.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.901 -5.686 15.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.524 -4.692 15.073 1.00 0.00 H new ATOM 273 N LEU A 18 0.128 -7.911 8.370 1.00 0.00 N ATOM 274 CA LEU A 18 -1.103 -8.732 8.283 1.00 0.00 C ATOM 275 C LEU A 18 -0.747 -10.043 7.573 1.00 0.00 C ATOM 276 O LEU A 18 -1.214 -11.105 7.933 1.00 0.00 O ATOM 277 CB LEU A 18 -2.176 -7.948 7.496 1.00 0.00 C ATOM 278 CG LEU A 18 -2.783 -6.720 8.281 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.310 -6.828 8.328 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.283 -6.600 9.736 1.00 0.00 C ATOM 0 H LEU A 18 0.144 -7.098 7.755 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.501 -8.955 9.273 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.738 -7.589 6.564 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.984 -8.629 7.227 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.452 -5.837 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.718 -5.976 8.872 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.706 -6.834 7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.594 -7.751 8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.744 -5.733 10.209 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.551 -7.501 10.288 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.199 -6.481 9.740 1.00 0.00 H new ATOM 292 N ILE A 19 0.111 -9.974 6.591 1.00 0.00 N ATOM 293 CA ILE A 19 0.543 -11.208 5.877 1.00 0.00 C ATOM 294 C ILE A 19 1.439 -11.988 6.833 1.00 0.00 C ATOM 295 O ILE A 19 1.473 -13.202 6.832 1.00 0.00 O ATOM 296 CB ILE A 19 1.332 -10.827 4.612 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.386 -10.139 3.616 1.00 0.00 C ATOM 298 CG2 ILE A 19 1.930 -12.080 3.967 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.174 -9.636 2.404 1.00 0.00 C ATOM 0 H ILE A 19 0.533 -9.110 6.251 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.317 -11.807 5.576 1.00 0.00 H new ATOM 0 HB ILE A 19 2.141 -10.149 4.883 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.386 -10.838 3.293 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.122 -9.305 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.486 -11.799 3.073 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.602 -12.568 4.674 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.129 -12.767 3.695 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.494 -9.150 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.929 -8.922 2.732 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.661 -10.478 1.912 1.00 0.00 H new ATOM 311 N ASP A 20 2.167 -11.280 7.649 1.00 0.00 N ATOM 312 CA ASP A 20 3.076 -11.942 8.618 1.00 0.00 C ATOM 313 C ASP A 20 2.277 -12.518 9.788 1.00 0.00 C ATOM 314 O ASP A 20 2.739 -13.418 10.461 1.00 0.00 O ATOM 315 CB ASP A 20 4.080 -10.918 9.149 1.00 0.00 C ATOM 316 CG ASP A 20 5.153 -11.632 9.973 1.00 0.00 C ATOM 317 OD1 ASP A 20 4.842 -12.054 11.074 1.00 0.00 O ATOM 318 OD2 ASP A 20 6.267 -11.745 9.488 1.00 0.00 O ATOM 0 H ASP A 20 2.170 -10.261 7.685 1.00 0.00 H new ATOM 0 HA ASP A 20 3.601 -12.753 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.541 -10.382 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.569 -10.177 9.763 1.00 0.00 H new ATOM 323 N ASN A 21 1.087 -12.015 10.054 1.00 0.00 N ATOM 324 CA ASN A 21 0.300 -12.568 11.209 1.00 0.00 C ATOM 325 C ASN A 21 -0.554 -13.752 10.727 1.00 0.00 C ATOM 326 O ASN A 21 -1.234 -14.382 11.509 1.00 0.00 O ATOM 327 CB ASN A 21 -0.564 -11.482 11.857 1.00 0.00 C ATOM 328 CG ASN A 21 -1.324 -12.074 13.045 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.308 -12.766 12.869 1.00 0.00 O ATOM 330 ND2 ASN A 21 -0.906 -11.831 14.258 1.00 0.00 N ATOM 0 H ASN A 21 0.636 -11.262 9.533 1.00 0.00 H new ATOM 0 HA ASN A 21 0.991 -12.924 11.973 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.063 -10.654 12.189 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.266 -11.078 11.128 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.405 -12.222 15.057 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -0.080 -11.251 14.406 1.00 0.00 H new ATOM 337 N ASN A 22 -0.461 -14.099 9.460 1.00 0.00 N ATOM 338 CA ASN A 22 -1.195 -15.304 8.924 1.00 0.00 C ATOM 339 C ASN A 22 -2.674 -15.024 8.600 1.00 0.00 C ATOM 340 O ASN A 22 -3.526 -15.840 8.887 1.00 0.00 O ATOM 341 CB ASN A 22 -1.116 -16.454 9.953 1.00 0.00 C ATOM 342 CG ASN A 22 -1.157 -17.810 9.236 1.00 0.00 C ATOM 343 OD1 ASN A 22 -0.214 -18.573 9.301 1.00 0.00 O ATOM 344 ND2 ASN A 22 -2.218 -18.141 8.553 1.00 0.00 N ATOM 0 H ASN A 22 0.095 -13.597 8.768 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.707 -15.576 7.988 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.198 -16.369 10.534 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.946 -16.381 10.656 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.256 -19.041 8.074 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.010 -17.500 8.498 1.00 0.00 H new ATOM 351 N LYS A 23 -2.999 -13.910 8.004 1.00 0.00 N ATOM 352 CA LYS A 23 -4.438 -13.637 7.669 1.00 0.00 C ATOM 353 C LYS A 23 -4.689 -14.016 6.198 1.00 0.00 C ATOM 354 O LYS A 23 -3.807 -13.939 5.366 1.00 0.00 O ATOM 355 CB LYS A 23 -4.732 -12.153 7.887 1.00 0.00 C ATOM 356 CG LYS A 23 -4.088 -11.644 9.220 1.00 0.00 C ATOM 357 CD LYS A 23 -5.137 -10.966 10.126 1.00 0.00 C ATOM 358 CE LYS A 23 -4.544 -10.742 11.519 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.603 -10.230 12.432 1.00 0.00 N ATOM 0 H LYS A 23 -2.342 -13.179 7.734 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.093 -14.227 8.310 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.345 -11.575 7.048 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.810 -11.992 7.915 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.633 -12.481 9.750 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.289 -10.938 8.994 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.445 -10.014 9.693 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.029 -11.588 10.195 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.135 -11.675 11.906 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.720 -10.031 11.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.201 -10.077 13.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.973 -9.331 12.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.375 -10.924 12.492 1.00 0.00 H new ATOM 373 N THR A 24 -5.898 -14.422 5.877 1.00 0.00 N ATOM 374 CA THR A 24 -6.229 -14.804 4.468 1.00 0.00 C ATOM 375 C THR A 24 -6.450 -13.558 3.608 1.00 0.00 C ATOM 376 O THR A 24 -6.500 -12.452 4.103 1.00 0.00 O ATOM 377 CB THR A 24 -7.519 -15.636 4.432 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.639 -14.765 4.363 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.630 -16.496 5.686 1.00 0.00 C ATOM 0 H THR A 24 -6.672 -14.505 6.536 1.00 0.00 H new ATOM 0 HA THR A 24 -5.392 -15.383 4.078 1.00 0.00 H new ATOM 0 HB THR A 24 -7.496 -16.285 3.556 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.464 -15.294 4.338 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.549 -17.080 5.646 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.775 -17.169 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.646 -15.854 6.567 1.00 0.00 H new ATOM 387 N GLU A 25 -6.618 -13.743 2.325 1.00 0.00 N ATOM 388 CA GLU A 25 -6.872 -12.580 1.421 1.00 0.00 C ATOM 389 C GLU A 25 -8.233 -11.974 1.791 1.00 0.00 C ATOM 390 O GLU A 25 -8.386 -10.774 1.893 1.00 0.00 O ATOM 391 CB GLU A 25 -6.892 -13.067 -0.033 1.00 0.00 C ATOM 392 CG GLU A 25 -6.730 -11.880 -0.984 1.00 0.00 C ATOM 393 CD GLU A 25 -7.161 -12.288 -2.395 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.723 -13.335 -2.846 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.919 -11.549 -2.999 1.00 0.00 O ATOM 0 H GLU A 25 -6.590 -14.651 1.862 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.090 -11.829 1.531 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.089 -13.786 -0.195 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.829 -13.584 -0.239 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.332 -11.040 -0.638 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.692 -11.547 -0.992 1.00 0.00 H new ATOM 402 N LYS A 26 -9.222 -12.806 1.978 1.00 0.00 N ATOM 403 CA LYS A 26 -10.585 -12.309 2.328 1.00 0.00 C ATOM 404 C LYS A 26 -10.543 -11.422 3.579 1.00 0.00 C ATOM 405 O LYS A 26 -11.315 -10.494 3.711 1.00 0.00 O ATOM 406 CB LYS A 26 -11.518 -13.505 2.566 1.00 0.00 C ATOM 407 CG LYS A 26 -12.985 -13.033 2.625 1.00 0.00 C ATOM 408 CD LYS A 26 -13.587 -12.992 1.213 1.00 0.00 C ATOM 409 CE LYS A 26 -15.018 -12.454 1.283 1.00 0.00 C ATOM 410 NZ LYS A 26 -15.795 -13.239 2.282 1.00 0.00 N ATOM 0 H LYS A 26 -9.143 -13.820 1.902 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.960 -11.708 1.499 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -11.395 -14.236 1.767 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.251 -14.004 3.498 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -13.566 -13.706 3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -13.038 -12.044 3.080 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.980 -12.358 0.566 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.584 -13.990 0.776 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -15.008 -11.400 1.561 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.492 -12.521 0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.791 -13.290 1.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -15.404 -14.200 2.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.734 -12.776 3.211 1.00 0.00 H new ATOM 424 N GLU A 27 -9.663 -11.696 4.496 1.00 0.00 N ATOM 425 CA GLU A 27 -9.596 -10.858 5.732 1.00 0.00 C ATOM 426 C GLU A 27 -8.896 -9.521 5.438 1.00 0.00 C ATOM 427 O GLU A 27 -9.255 -8.499 5.988 1.00 0.00 O ATOM 428 CB GLU A 27 -8.816 -11.606 6.817 1.00 0.00 C ATOM 429 CG GLU A 27 -9.703 -12.683 7.453 1.00 0.00 C ATOM 430 CD GLU A 27 -10.776 -12.017 8.317 1.00 0.00 C ATOM 431 OE1 GLU A 27 -10.461 -11.648 9.436 1.00 0.00 O ATOM 432 OE2 GLU A 27 -11.893 -11.888 7.845 1.00 0.00 O ATOM 0 H GLU A 27 -8.988 -12.459 4.449 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.612 -10.660 6.074 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.926 -12.064 6.386 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.476 -10.906 7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.171 -13.289 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.098 -13.355 8.061 1.00 0.00 H new ATOM 439 N ILE A 28 -7.904 -9.507 4.589 1.00 0.00 N ATOM 440 CA ILE A 28 -7.204 -8.220 4.293 1.00 0.00 C ATOM 441 C ILE A 28 -8.192 -7.271 3.622 1.00 0.00 C ATOM 442 O ILE A 28 -8.219 -6.089 3.903 1.00 0.00 O ATOM 443 CB ILE A 28 -6.003 -8.503 3.373 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.239 -9.755 3.914 1.00 0.00 C ATOM 445 CG2 ILE A 28 -5.102 -7.264 3.296 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.719 -9.557 3.982 1.00 0.00 C ATOM 0 H ILE A 28 -7.549 -10.323 4.090 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.837 -7.758 5.210 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.339 -8.719 2.359 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.612 -9.997 4.909 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.459 -10.610 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.254 -7.471 2.643 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.671 -6.425 2.896 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.740 -7.015 4.293 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.251 -10.463 4.366 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.335 -9.345 2.984 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.490 -8.722 4.644 1.00 0.00 H new ATOM 458 N LEU A 29 -9.012 -7.775 2.746 1.00 0.00 N ATOM 459 CA LEU A 29 -10.004 -6.898 2.072 1.00 0.00 C ATOM 460 C LEU A 29 -11.114 -6.523 3.063 1.00 0.00 C ATOM 461 O LEU A 29 -11.705 -5.468 2.985 1.00 0.00 O ATOM 462 CB LEU A 29 -10.592 -7.646 0.876 1.00 0.00 C ATOM 463 CG LEU A 29 -9.451 -8.160 -0.012 1.00 0.00 C ATOM 464 CD1 LEU A 29 -10.038 -8.988 -1.159 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.662 -6.970 -0.586 1.00 0.00 C ATOM 0 H LEU A 29 -9.038 -8.756 2.468 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.522 -5.984 1.725 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.205 -8.480 1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.244 -6.986 0.304 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.780 -8.780 0.582 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.231 -9.355 -1.793 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.592 -9.833 -0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.709 -8.366 -1.751 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.853 -7.340 -1.216 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.328 -6.345 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.245 -6.381 0.231 1.00 0.00 H new ATOM 477 N ASP A 30 -11.384 -7.380 4.009 1.00 0.00 N ATOM 478 CA ASP A 30 -12.429 -7.064 5.026 1.00 0.00 C ATOM 479 C ASP A 30 -11.914 -5.919 5.908 1.00 0.00 C ATOM 480 O ASP A 30 -12.631 -4.989 6.216 1.00 0.00 O ATOM 481 CB ASP A 30 -12.704 -8.298 5.889 1.00 0.00 C ATOM 482 CG ASP A 30 -13.310 -9.402 5.022 1.00 0.00 C ATOM 483 OD1 ASP A 30 -13.962 -9.073 4.046 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.112 -10.561 5.351 1.00 0.00 O ATOM 0 H ASP A 30 -10.927 -8.285 4.123 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.355 -6.770 4.532 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.779 -8.648 6.348 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -13.386 -8.043 6.700 1.00 0.00 H new ATOM 489 N ALA A 31 -10.683 -5.996 6.332 1.00 0.00 N ATOM 490 CA ALA A 31 -10.117 -4.933 7.215 1.00 0.00 C ATOM 491 C ALA A 31 -9.954 -3.616 6.440 1.00 0.00 C ATOM 492 O ALA A 31 -9.967 -2.550 7.023 1.00 0.00 O ATOM 493 CB ALA A 31 -8.757 -5.398 7.739 1.00 0.00 C ATOM 0 H ALA A 31 -10.039 -6.754 6.104 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.798 -4.757 8.048 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.334 -4.629 8.385 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.882 -6.321 8.306 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.085 -5.576 6.899 1.00 0.00 H new ATOM 499 N PHE A 32 -9.819 -3.663 5.144 1.00 0.00 N ATOM 500 CA PHE A 32 -9.681 -2.395 4.361 1.00 0.00 C ATOM 501 C PHE A 32 -10.810 -1.438 4.744 1.00 0.00 C ATOM 502 O PHE A 32 -10.780 -0.268 4.421 1.00 0.00 O ATOM 503 CB PHE A 32 -9.777 -2.743 2.864 1.00 0.00 C ATOM 504 CG PHE A 32 -8.427 -3.155 2.280 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.336 -3.548 3.094 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.264 -3.120 0.888 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.115 -3.891 2.505 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.041 -3.472 0.309 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.967 -3.855 1.116 1.00 0.00 C ATOM 0 H PHE A 32 -9.798 -4.520 4.591 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.725 -1.916 4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.493 -3.553 2.726 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.160 -1.882 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.447 -3.583 4.168 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.089 -2.819 0.259 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.282 -4.185 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.926 -3.448 -0.765 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.022 -4.123 0.666 1.00 0.00 H new ATOM 519 N ASP A 33 -11.812 -1.925 5.421 1.00 0.00 N ATOM 520 CA ASP A 33 -12.944 -1.042 5.813 1.00 0.00 C ATOM 521 C ASP A 33 -12.598 -0.303 7.113 1.00 0.00 C ATOM 522 O ASP A 33 -13.101 0.774 7.366 1.00 0.00 O ATOM 523 CB ASP A 33 -14.206 -1.896 6.000 1.00 0.00 C ATOM 524 CG ASP A 33 -15.295 -1.084 6.709 1.00 0.00 C ATOM 525 OD1 ASP A 33 -16.013 -0.370 6.029 1.00 0.00 O ATOM 526 OD2 ASP A 33 -15.391 -1.191 7.921 1.00 0.00 O ATOM 0 H ASP A 33 -11.895 -2.897 5.720 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.125 -0.303 5.033 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.570 -2.237 5.031 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -13.968 -2.786 6.583 1.00 0.00 H new ATOM 531 N LYS A 34 -11.741 -0.866 7.938 1.00 0.00 N ATOM 532 CA LYS A 34 -11.359 -0.190 9.223 1.00 0.00 C ATOM 533 C LYS A 34 -9.875 0.193 9.196 1.00 0.00 C ATOM 534 O LYS A 34 -9.324 0.633 10.184 1.00 0.00 O ATOM 535 CB LYS A 34 -11.586 -1.147 10.397 1.00 0.00 C ATOM 536 CG LYS A 34 -13.023 -1.679 10.373 1.00 0.00 C ATOM 537 CD LYS A 34 -13.389 -2.238 11.750 1.00 0.00 C ATOM 538 CE LYS A 34 -12.458 -3.403 12.092 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.008 -4.153 13.257 1.00 0.00 N ATOM 0 H LYS A 34 -11.289 -1.766 7.776 1.00 0.00 H new ATOM 0 HA LYS A 34 -11.972 0.704 9.339 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -10.882 -1.977 10.341 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.397 -0.631 11.338 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.712 -0.880 10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.120 -2.457 9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.304 -1.457 12.506 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.426 -2.574 11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -12.358 -4.067 11.233 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -11.461 -3.029 12.324 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -12.376 -4.945 13.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.082 -3.516 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.951 -4.521 13.019 1.00 0.00 H new ATOM 553 N MET A 35 -9.218 0.029 8.075 1.00 0.00 N ATOM 554 CA MET A 35 -7.766 0.387 8.003 1.00 0.00 C ATOM 555 C MET A 35 -7.630 1.892 7.740 1.00 0.00 C ATOM 556 O MET A 35 -6.831 2.556 8.371 1.00 0.00 O ATOM 557 CB MET A 35 -7.087 -0.434 6.879 1.00 0.00 C ATOM 558 CG MET A 35 -5.844 -1.159 7.398 1.00 0.00 C ATOM 559 SD MET A 35 -4.843 -1.715 5.990 1.00 0.00 S ATOM 560 CE MET A 35 -5.065 -3.499 6.210 1.00 0.00 C ATOM 0 H MET A 35 -9.620 -0.335 7.211 1.00 0.00 H new ATOM 0 HA MET A 35 -7.274 0.151 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.794 -1.160 6.478 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.809 0.228 6.059 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.260 -0.494 8.034 1.00 0.00 H new ATOM 0 HG3 MET A 35 -6.136 -2.012 8.011 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.121 -3.982 5.234 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.221 -3.905 6.768 1.00 0.00 H new ATOM 0 HE3 MET A 35 -5.987 -3.686 6.761 1.00 0.00 H new ATOM 570 N CYS A 36 -8.393 2.458 6.837 1.00 0.00 N ATOM 571 CA CYS A 36 -8.248 3.918 6.620 1.00 0.00 C ATOM 572 C CYS A 36 -8.700 4.598 7.909 1.00 0.00 C ATOM 573 O CYS A 36 -8.649 5.804 8.041 1.00 0.00 O ATOM 574 CB CYS A 36 -9.088 4.381 5.424 1.00 0.00 C ATOM 575 SG CYS A 36 -8.110 4.230 3.911 1.00 0.00 S ATOM 0 H CYS A 36 -9.088 1.984 6.260 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.215 4.178 6.389 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.994 3.779 5.347 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.403 5.415 5.565 1.00 0.00 H new ATOM 580 N SER A 37 -9.139 3.827 8.864 1.00 0.00 N ATOM 581 CA SER A 37 -9.592 4.429 10.156 1.00 0.00 C ATOM 582 C SER A 37 -8.398 4.587 11.107 1.00 0.00 C ATOM 583 O SER A 37 -8.575 4.808 12.289 1.00 0.00 O ATOM 584 CB SER A 37 -10.636 3.519 10.805 1.00 0.00 C ATOM 585 OG SER A 37 -11.239 4.200 11.897 1.00 0.00 O ATOM 0 H SER A 37 -9.205 2.811 8.810 1.00 0.00 H new ATOM 0 HA SER A 37 -10.028 5.408 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.394 3.237 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.168 2.597 11.150 1.00 0.00 H new ATOM 0 HG SER A 37 -10.544 4.624 12.442 1.00 0.00 H new ATOM 591 N LYS A 38 -7.186 4.471 10.609 1.00 0.00 N ATOM 592 CA LYS A 38 -5.974 4.612 11.493 1.00 0.00 C ATOM 593 C LYS A 38 -5.095 5.782 11.014 1.00 0.00 C ATOM 594 O LYS A 38 -3.939 5.880 11.381 1.00 0.00 O ATOM 595 CB LYS A 38 -5.174 3.293 11.468 1.00 0.00 C ATOM 596 CG LYS A 38 -5.736 2.321 12.520 1.00 0.00 C ATOM 597 CD LYS A 38 -5.307 0.884 12.195 1.00 0.00 C ATOM 598 CE LYS A 38 -3.796 0.832 11.943 1.00 0.00 C ATOM 599 NZ LYS A 38 -3.319 -0.574 12.085 1.00 0.00 N ATOM 0 H LYS A 38 -6.981 4.284 9.627 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.292 4.823 12.514 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.230 2.842 10.477 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.121 3.492 11.669 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.379 2.600 13.511 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.824 2.387 12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.569 0.222 13.020 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.843 0.526 11.316 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.570 1.206 10.944 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.276 1.478 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.294 -0.612 11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.523 -0.914 13.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.807 -1.178 11.393 1.00 0.00 H new ATOM 613 N LEU A 39 -5.630 6.672 10.207 1.00 0.00 N ATOM 614 CA LEU A 39 -4.828 7.847 9.706 1.00 0.00 C ATOM 615 C LEU A 39 -5.593 9.146 10.041 1.00 0.00 C ATOM 616 O LEU A 39 -6.806 9.155 9.955 1.00 0.00 O ATOM 617 CB LEU A 39 -4.690 7.749 8.178 1.00 0.00 C ATOM 618 CG LEU A 39 -3.994 6.441 7.776 1.00 0.00 C ATOM 619 CD1 LEU A 39 -4.021 6.311 6.253 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.534 6.445 8.249 1.00 0.00 C ATOM 0 H LEU A 39 -6.592 6.638 9.870 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.843 7.849 10.173 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.676 7.799 7.715 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.119 8.599 7.805 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.516 5.604 8.239 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.529 5.384 5.958 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -5.055 6.299 5.907 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.499 7.157 5.806 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.054 5.511 7.956 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.006 7.283 7.793 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.503 6.544 9.334 1.00 0.00 H new ATOM 632 N PRO A 40 -4.898 10.219 10.398 1.00 0.00 N ATOM 633 CA PRO A 40 -5.581 11.485 10.710 1.00 0.00 C ATOM 634 C PRO A 40 -6.649 11.792 9.640 1.00 0.00 C ATOM 635 O PRO A 40 -6.602 11.254 8.552 1.00 0.00 O ATOM 636 CB PRO A 40 -4.450 12.543 10.759 1.00 0.00 C ATOM 637 CG PRO A 40 -3.100 11.770 10.747 1.00 0.00 C ATOM 638 CD PRO A 40 -3.423 10.276 10.529 1.00 0.00 C ATOM 0 HA PRO A 40 -6.123 11.462 11.655 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.516 13.217 9.905 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.535 13.156 11.656 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.452 12.142 9.953 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.567 11.914 11.687 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.932 9.892 9.635 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.077 9.671 11.367 1.00 0.00 H new ATOM 646 N LYS A 41 -7.617 12.621 9.927 1.00 0.00 N ATOM 647 CA LYS A 41 -8.668 12.902 8.904 1.00 0.00 C ATOM 648 C LYS A 41 -8.082 13.608 7.677 1.00 0.00 C ATOM 649 O LYS A 41 -8.718 13.699 6.646 1.00 0.00 O ATOM 650 CB LYS A 41 -9.759 13.780 9.510 1.00 0.00 C ATOM 651 CG LYS A 41 -10.996 13.764 8.603 1.00 0.00 C ATOM 652 CD LYS A 41 -12.142 14.517 9.282 1.00 0.00 C ATOM 653 CE LYS A 41 -13.391 14.445 8.400 1.00 0.00 C ATOM 654 NZ LYS A 41 -13.072 14.967 7.040 1.00 0.00 N ATOM 0 H LYS A 41 -7.726 13.111 10.815 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.086 11.947 8.587 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.020 13.418 10.505 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.395 14.801 9.627 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.762 14.226 7.644 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.295 12.736 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.348 14.082 10.260 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.860 15.557 9.448 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.742 13.415 8.332 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.197 15.028 8.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.888 15.495 6.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.247 15.598 7.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.858 14.172 6.404 1.00 0.00 H new ATOM 668 N SER A 42 -6.916 14.178 7.796 1.00 0.00 N ATOM 669 CA SER A 42 -6.360 14.954 6.649 1.00 0.00 C ATOM 670 C SER A 42 -5.904 14.073 5.481 1.00 0.00 C ATOM 671 O SER A 42 -5.681 14.554 4.387 1.00 0.00 O ATOM 672 CB SER A 42 -5.220 15.856 7.124 1.00 0.00 C ATOM 673 OG SER A 42 -5.710 16.743 8.121 1.00 0.00 O ATOM 0 H SER A 42 -6.327 14.142 8.628 1.00 0.00 H new ATOM 0 HA SER A 42 -7.174 15.568 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 42 -4.406 15.252 7.526 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.814 16.421 6.285 1.00 0.00 H new ATOM 0 HG SER A 42 -4.982 17.322 8.430 1.00 0.00 H new ATOM 679 N LEU A 43 -5.790 12.784 5.699 1.00 0.00 N ATOM 680 CA LEU A 43 -5.376 11.849 4.593 1.00 0.00 C ATOM 681 C LEU A 43 -6.537 10.901 4.286 1.00 0.00 C ATOM 682 O LEU A 43 -6.425 10.046 3.430 1.00 0.00 O ATOM 683 CB LEU A 43 -4.161 11.006 5.011 1.00 0.00 C ATOM 684 CG LEU A 43 -3.069 11.879 5.626 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.832 11.027 5.919 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.687 13.007 4.662 1.00 0.00 C ATOM 0 H LEU A 43 -5.966 12.334 6.597 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.112 12.443 3.718 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.471 10.247 5.729 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.764 10.480 4.143 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.447 12.311 6.553 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.055 11.653 6.358 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.095 10.232 6.617 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.464 10.588 4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.908 13.622 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.318 12.580 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.563 13.623 4.458 1.00 0.00 H new ATOM 698 N SER A 44 -7.635 11.024 4.995 1.00 0.00 N ATOM 699 CA SER A 44 -8.806 10.113 4.769 1.00 0.00 C ATOM 700 C SER A 44 -8.957 9.793 3.281 1.00 0.00 C ATOM 701 O SER A 44 -8.788 8.681 2.829 1.00 0.00 O ATOM 702 CB SER A 44 -10.082 10.782 5.279 1.00 0.00 C ATOM 703 OG SER A 44 -11.212 10.038 4.841 1.00 0.00 O ATOM 0 H SER A 44 -7.772 11.722 5.726 1.00 0.00 H new ATOM 0 HA SER A 44 -8.635 9.184 5.312 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.068 10.836 6.368 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.142 11.806 4.910 1.00 0.00 H new ATOM 0 HG SER A 44 -12.031 10.464 5.168 1.00 0.00 H new ATOM 709 N GLU A 45 -9.433 10.777 2.570 1.00 0.00 N ATOM 710 CA GLU A 45 -9.821 10.653 1.136 1.00 0.00 C ATOM 711 C GLU A 45 -8.802 10.070 0.168 1.00 0.00 C ATOM 712 O GLU A 45 -9.083 9.139 -0.561 1.00 0.00 O ATOM 713 CB GLU A 45 -10.142 12.060 0.630 1.00 0.00 C ATOM 714 CG GLU A 45 -11.263 12.680 1.470 1.00 0.00 C ATOM 715 CD GLU A 45 -12.565 11.912 1.235 1.00 0.00 C ATOM 716 OE1 GLU A 45 -13.237 12.210 0.262 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.867 11.039 2.033 1.00 0.00 O ATOM 0 H GLU A 45 -9.576 11.713 2.948 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.647 9.942 1.142 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.251 12.685 0.681 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.442 12.018 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.998 12.651 2.527 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.394 13.729 1.203 1.00 0.00 H new ATOM 724 N GLU A 46 -7.625 10.602 0.159 1.00 0.00 N ATOM 725 CA GLU A 46 -6.589 10.076 -0.753 1.00 0.00 C ATOM 726 C GLU A 46 -6.400 8.583 -0.502 1.00 0.00 C ATOM 727 O GLU A 46 -5.945 7.861 -1.359 1.00 0.00 O ATOM 728 CB GLU A 46 -5.276 10.821 -0.499 1.00 0.00 C ATOM 729 CG GLU A 46 -5.544 12.331 -0.311 1.00 0.00 C ATOM 730 CD GLU A 46 -5.752 12.654 1.175 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.528 11.961 1.812 1.00 0.00 O ATOM 732 OE2 GLU A 46 -5.132 13.592 1.648 1.00 0.00 O ATOM 0 H GLU A 46 -7.333 11.383 0.747 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.895 10.224 -1.789 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.787 10.418 0.388 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.595 10.667 -1.336 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.705 12.908 -0.702 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -6.426 12.625 -0.881 1.00 0.00 H new ATOM 739 N CYS A 47 -6.758 8.109 0.655 1.00 0.00 N ATOM 740 CA CYS A 47 -6.602 6.656 0.928 1.00 0.00 C ATOM 741 C CYS A 47 -7.754 5.909 0.258 1.00 0.00 C ATOM 742 O CYS A 47 -7.564 4.880 -0.359 1.00 0.00 O ATOM 743 CB CYS A 47 -6.610 6.422 2.453 1.00 0.00 C ATOM 744 SG CYS A 47 -8.283 6.046 3.048 1.00 0.00 S ATOM 0 H CYS A 47 -7.149 8.660 1.419 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.657 6.288 0.528 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.939 5.600 2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.230 7.308 2.962 1.00 0.00 H new ATOM 749 N GLN A 48 -8.945 6.412 0.378 1.00 0.00 N ATOM 750 CA GLN A 48 -10.099 5.718 -0.252 1.00 0.00 C ATOM 751 C GLN A 48 -9.789 5.485 -1.733 1.00 0.00 C ATOM 752 O GLN A 48 -10.092 4.446 -2.284 1.00 0.00 O ATOM 753 CB GLN A 48 -11.371 6.580 -0.102 1.00 0.00 C ATOM 754 CG GLN A 48 -12.123 6.202 1.181 1.00 0.00 C ATOM 755 CD GLN A 48 -11.162 6.223 2.370 1.00 0.00 C ATOM 756 OE1 GLN A 48 -10.678 7.267 2.756 1.00 0.00 O ATOM 757 NE2 GLN A 48 -10.866 5.103 2.974 1.00 0.00 N ATOM 0 H GLN A 48 -9.171 7.269 0.882 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.269 4.759 0.238 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.102 7.636 -0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.019 6.437 -0.967 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.943 6.900 1.352 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -12.565 5.211 1.076 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -11.273 4.226 2.650 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -10.228 5.106 3.770 1.00 0.00 H new ATOM 766 N GLU A 49 -9.204 6.453 -2.387 1.00 0.00 N ATOM 767 CA GLU A 49 -8.895 6.295 -3.835 1.00 0.00 C ATOM 768 C GLU A 49 -7.788 5.255 -4.042 1.00 0.00 C ATOM 769 O GLU A 49 -7.851 4.447 -4.948 1.00 0.00 O ATOM 770 CB GLU A 49 -8.445 7.641 -4.407 1.00 0.00 C ATOM 771 CG GLU A 49 -9.639 8.595 -4.463 1.00 0.00 C ATOM 772 CD GLU A 49 -10.602 8.145 -5.563 1.00 0.00 C ATOM 773 OE1 GLU A 49 -10.145 7.946 -6.678 1.00 0.00 O ATOM 774 OE2 GLU A 49 -11.778 8.007 -5.273 1.00 0.00 O ATOM 0 H GLU A 49 -8.927 7.346 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.793 5.954 -4.350 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.655 8.066 -3.788 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.028 7.503 -5.405 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.151 8.610 -3.501 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.297 9.611 -4.658 1.00 0.00 H new ATOM 781 N VAL A 50 -6.775 5.259 -3.210 1.00 0.00 N ATOM 782 CA VAL A 50 -5.686 4.255 -3.378 1.00 0.00 C ATOM 783 C VAL A 50 -6.227 2.871 -3.042 1.00 0.00 C ATOM 784 O VAL A 50 -6.066 1.930 -3.795 1.00 0.00 O ATOM 785 CB VAL A 50 -4.503 4.556 -2.444 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.372 3.557 -2.717 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.990 5.987 -2.684 1.00 0.00 C ATOM 0 H VAL A 50 -6.658 5.907 -2.431 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.339 4.298 -4.410 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.834 4.465 -1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.532 3.769 -2.056 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.730 2.544 -2.536 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.049 3.648 -3.754 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.152 6.190 -2.017 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.663 6.087 -3.719 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.791 6.699 -2.486 1.00 0.00 H new ATOM 797 N VAL A 51 -6.840 2.726 -1.895 1.00 0.00 N ATOM 798 CA VAL A 51 -7.351 1.390 -1.496 1.00 0.00 C ATOM 799 C VAL A 51 -8.387 0.897 -2.514 1.00 0.00 C ATOM 800 O VAL A 51 -8.318 -0.208 -3.010 1.00 0.00 O ATOM 801 CB VAL A 51 -7.920 1.464 -0.074 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.330 0.076 0.404 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.858 2.028 0.875 1.00 0.00 C ATOM 0 H VAL A 51 -7.006 3.475 -1.223 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.538 0.664 -1.490 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.795 2.114 -0.080 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.732 0.143 1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.091 -0.328 -0.263 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.460 -0.581 0.403 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.264 2.080 1.885 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.983 1.379 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.571 3.027 0.547 1.00 0.00 H new ATOM 813 N ASP A 52 -9.386 1.702 -2.771 1.00 0.00 N ATOM 814 CA ASP A 52 -10.489 1.294 -3.690 1.00 0.00 C ATOM 815 C ASP A 52 -9.997 1.049 -5.119 1.00 0.00 C ATOM 816 O ASP A 52 -10.416 0.117 -5.776 1.00 0.00 O ATOM 817 CB ASP A 52 -11.547 2.402 -3.711 1.00 0.00 C ATOM 818 CG ASP A 52 -12.757 1.936 -4.523 1.00 0.00 C ATOM 819 OD1 ASP A 52 -13.228 0.839 -4.268 1.00 0.00 O ATOM 820 OD2 ASP A 52 -13.192 2.682 -5.384 1.00 0.00 O ATOM 0 H ASP A 52 -9.485 2.638 -2.377 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.903 0.357 -3.319 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.851 2.648 -2.694 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.130 3.310 -4.148 1.00 0.00 H new ATOM 825 N THR A 53 -9.134 1.891 -5.617 1.00 0.00 N ATOM 826 CA THR A 53 -8.643 1.723 -7.014 1.00 0.00 C ATOM 827 C THR A 53 -7.435 0.793 -7.059 1.00 0.00 C ATOM 828 O THR A 53 -7.305 0.002 -7.971 1.00 0.00 O ATOM 829 CB THR A 53 -8.253 3.093 -7.574 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.331 3.999 -7.394 1.00 0.00 O ATOM 831 CG2 THR A 53 -7.932 2.968 -9.065 1.00 0.00 C ATOM 0 H THR A 53 -8.747 2.690 -5.115 1.00 0.00 H new ATOM 0 HA THR A 53 -9.438 1.282 -7.615 1.00 0.00 H new ATOM 0 HB THR A 53 -7.373 3.463 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.239 4.450 -6.529 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.655 3.945 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.104 2.273 -9.202 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.809 2.597 -9.596 1.00 0.00 H new ATOM 839 N TYR A 54 -6.533 0.891 -6.113 1.00 0.00 N ATOM 840 CA TYR A 54 -5.313 0.020 -6.150 1.00 0.00 C ATOM 841 C TYR A 54 -5.320 -1.031 -5.034 1.00 0.00 C ATOM 842 O TYR A 54 -4.291 -1.407 -4.514 1.00 0.00 O ATOM 843 CB TYR A 54 -4.075 0.893 -6.016 1.00 0.00 C ATOM 844 CG TYR A 54 -3.944 1.776 -7.235 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.574 3.020 -7.258 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.193 1.354 -8.339 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.461 3.850 -8.373 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.074 2.184 -9.461 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.709 3.433 -9.479 1.00 0.00 C ATOM 850 OH TYR A 54 -3.594 4.251 -10.584 1.00 0.00 O ATOM 0 H TYR A 54 -6.586 1.532 -5.321 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.308 -0.511 -7.102 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.145 1.505 -5.117 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.188 0.269 -5.909 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.154 3.343 -6.406 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.706 0.390 -8.325 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.952 4.812 -8.384 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.493 1.861 -10.312 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.037 3.811 -11.260 1.00 0.00 H new ATOM 860 N GLY A 55 -6.482 -1.473 -4.635 1.00 0.00 N ATOM 861 CA GLY A 55 -6.569 -2.459 -3.521 1.00 0.00 C ATOM 862 C GLY A 55 -6.283 -3.880 -4.001 1.00 0.00 C ATOM 863 O GLY A 55 -5.448 -4.566 -3.446 1.00 0.00 O ATOM 0 H GLY A 55 -7.378 -1.192 -5.034 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.859 -2.189 -2.740 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.563 -2.418 -3.076 1.00 0.00 H new ATOM 867 N SER A 56 -6.975 -4.352 -5.003 1.00 0.00 N ATOM 868 CA SER A 56 -6.723 -5.745 -5.452 1.00 0.00 C ATOM 869 C SER A 56 -5.336 -5.848 -6.066 1.00 0.00 C ATOM 870 O SER A 56 -4.726 -6.898 -6.086 1.00 0.00 O ATOM 871 CB SER A 56 -7.759 -6.172 -6.488 1.00 0.00 C ATOM 872 OG SER A 56 -9.026 -5.625 -6.145 1.00 0.00 O ATOM 0 H SER A 56 -7.691 -3.842 -5.520 1.00 0.00 H new ATOM 0 HA SER A 56 -6.794 -6.401 -4.585 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.460 -5.831 -7.479 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.820 -7.259 -6.530 1.00 0.00 H new ATOM 0 HG SER A 56 -9.691 -5.898 -6.811 1.00 0.00 H new ATOM 878 N SER A 57 -4.866 -4.772 -6.639 1.00 0.00 N ATOM 879 CA SER A 57 -3.553 -4.833 -7.332 1.00 0.00 C ATOM 880 C SER A 57 -2.395 -4.847 -6.338 1.00 0.00 C ATOM 881 O SER A 57 -1.520 -5.682 -6.415 1.00 0.00 O ATOM 882 CB SER A 57 -3.408 -3.672 -8.314 1.00 0.00 C ATOM 883 OG SER A 57 -3.470 -2.443 -7.601 1.00 0.00 O ATOM 0 H SER A 57 -5.331 -3.864 -6.656 1.00 0.00 H new ATOM 0 HA SER A 57 -3.518 -5.767 -7.892 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.461 -3.748 -8.848 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.200 -3.712 -9.062 1.00 0.00 H new ATOM 0 HG SER A 57 -3.376 -1.696 -8.228 1.00 0.00 H new ATOM 889 N ILE A 58 -2.406 -3.969 -5.366 1.00 0.00 N ATOM 890 CA ILE A 58 -1.322 -3.982 -4.346 1.00 0.00 C ATOM 891 C ILE A 58 -1.292 -5.362 -3.708 1.00 0.00 C ATOM 892 O ILE A 58 -0.288 -6.045 -3.664 1.00 0.00 O ATOM 893 CB ILE A 58 -1.618 -2.942 -3.248 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.407 -1.526 -3.806 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.674 -3.172 -2.051 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.871 -0.484 -2.779 1.00 0.00 C ATOM 0 H ILE A 58 -3.117 -3.249 -5.238 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.369 -3.745 -4.819 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.652 -3.049 -2.919 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.354 -1.372 -4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.963 -1.406 -4.736 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.884 -2.436 -1.275 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.830 -4.174 -1.652 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.361 -3.069 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.718 0.517 -3.182 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.929 -0.631 -2.564 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.295 -0.597 -1.860 1.00 0.00 H new ATOM 908 N LEU A 59 -2.424 -5.743 -3.201 1.00 0.00 N ATOM 909 CA LEU A 59 -2.570 -7.052 -2.527 1.00 0.00 C ATOM 910 C LEU A 59 -2.222 -8.168 -3.505 1.00 0.00 C ATOM 911 O LEU A 59 -1.850 -9.246 -3.098 1.00 0.00 O ATOM 912 CB LEU A 59 -4.023 -7.186 -2.050 1.00 0.00 C ATOM 913 CG LEU A 59 -4.288 -8.588 -1.479 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.257 -8.911 -0.385 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.708 -8.644 -0.879 1.00 0.00 C ATOM 0 H LEU A 59 -3.277 -5.185 -3.227 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.897 -7.123 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.230 -6.434 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.702 -6.994 -2.881 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.203 -9.321 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.451 -9.906 0.015 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.254 -8.880 -0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.335 -8.176 0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.893 -9.639 -0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.795 -7.906 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.440 -8.426 -1.656 1.00 0.00 H new ATOM 927 N SER A 60 -2.350 -7.961 -4.792 1.00 0.00 N ATOM 928 CA SER A 60 -2.030 -9.086 -5.724 1.00 0.00 C ATOM 929 C SER A 60 -0.514 -9.152 -5.946 1.00 0.00 C ATOM 930 O SER A 60 0.068 -10.209 -6.092 1.00 0.00 O ATOM 931 CB SER A 60 -2.739 -8.859 -7.054 1.00 0.00 C ATOM 932 OG SER A 60 -2.261 -9.796 -8.010 1.00 0.00 O ATOM 0 H SER A 60 -2.653 -7.090 -5.228 1.00 0.00 H new ATOM 0 HA SER A 60 -2.369 -10.027 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.816 -8.969 -6.928 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.561 -7.842 -7.405 1.00 0.00 H new ATOM 0 HG SER A 60 -2.717 -9.652 -8.865 1.00 0.00 H new ATOM 938 N ILE A 61 0.120 -8.005 -5.983 1.00 0.00 N ATOM 939 CA ILE A 61 1.597 -7.942 -6.206 1.00 0.00 C ATOM 940 C ILE A 61 2.345 -8.511 -4.999 1.00 0.00 C ATOM 941 O ILE A 61 3.252 -9.310 -5.132 1.00 0.00 O ATOM 942 CB ILE A 61 2.018 -6.468 -6.374 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.080 -5.737 -7.396 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.491 -6.415 -6.806 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.860 -5.148 -8.582 1.00 0.00 C ATOM 0 H ILE A 61 -0.331 -7.098 -5.866 1.00 0.00 H new ATOM 0 HA ILE A 61 1.839 -8.523 -7.096 1.00 0.00 H new ATOM 0 HB ILE A 61 1.917 -5.943 -5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.333 -6.439 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.541 -4.939 -6.885 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.797 -5.376 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.111 -6.890 -6.045 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.612 -6.942 -7.753 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.168 -4.652 -9.262 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.589 -4.425 -8.215 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.377 -5.949 -9.111 1.00 0.00 H new ATOM 957 N LEU A 62 1.992 -8.071 -3.826 1.00 0.00 N ATOM 958 CA LEU A 62 2.697 -8.538 -2.603 1.00 0.00 C ATOM 959 C LEU A 62 2.671 -10.072 -2.534 1.00 0.00 C ATOM 960 O LEU A 62 3.568 -10.692 -1.998 1.00 0.00 O ATOM 961 CB LEU A 62 1.997 -7.912 -1.372 1.00 0.00 C ATOM 962 CG LEU A 62 2.934 -6.911 -0.662 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.103 -5.926 0.173 1.00 0.00 C ATOM 964 CD2 LEU A 62 3.906 -7.689 0.242 1.00 0.00 C ATOM 0 H LEU A 62 1.239 -7.403 -3.661 1.00 0.00 H new ATOM 0 HA LEU A 62 3.742 -8.227 -2.622 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.085 -7.404 -1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.702 -8.698 -0.677 1.00 0.00 H new ATOM 0 HG LEU A 62 3.502 -6.347 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.768 -5.221 0.672 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.421 -5.381 -0.480 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.530 -6.475 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.572 -6.989 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.341 -8.253 0.984 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.495 -8.377 -0.364 1.00 0.00 H new ATOM 976 N LEU A 63 1.651 -10.684 -3.060 1.00 0.00 N ATOM 977 CA LEU A 63 1.570 -12.172 -3.012 1.00 0.00 C ATOM 978 C LEU A 63 2.475 -12.806 -4.067 1.00 0.00 C ATOM 979 O LEU A 63 2.722 -13.996 -4.038 1.00 0.00 O ATOM 980 CB LEU A 63 0.122 -12.619 -3.213 1.00 0.00 C ATOM 981 CG LEU A 63 -0.752 -12.052 -2.088 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.206 -12.464 -2.327 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.273 -12.585 -0.724 1.00 0.00 C ATOM 0 H LEU A 63 0.868 -10.221 -3.522 1.00 0.00 H new ATOM 0 HA LEU A 63 1.914 -12.505 -2.033 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.244 -12.275 -4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.064 -13.707 -3.219 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.675 -10.965 -2.083 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.833 -12.064 -1.530 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.543 -12.071 -3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.279 -13.551 -2.335 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.901 -12.176 0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.340 -13.673 -0.715 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.761 -12.284 -0.559 1.00 0.00 H new ATOM 995 N GLU A 64 2.988 -12.042 -4.992 1.00 0.00 N ATOM 996 CA GLU A 64 3.886 -12.642 -6.021 1.00 0.00 C ATOM 997 C GLU A 64 5.302 -12.663 -5.454 1.00 0.00 C ATOM 998 O GLU A 64 6.241 -13.031 -6.131 1.00 0.00 O ATOM 999 CB GLU A 64 3.832 -11.823 -7.313 1.00 0.00 C ATOM 1000 CG GLU A 64 2.543 -12.146 -8.072 1.00 0.00 C ATOM 1001 CD GLU A 64 2.625 -13.562 -8.643 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.264 -13.731 -9.669 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.047 -14.455 -8.045 1.00 0.00 O ATOM 0 H GLU A 64 2.827 -11.039 -5.081 1.00 0.00 H new ATOM 0 HA GLU A 64 3.566 -13.656 -6.260 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.873 -10.758 -7.083 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.698 -12.048 -7.935 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.685 -12.061 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.393 -11.427 -8.877 1.00 0.00 H new ATOM 1010 N GLU A 65 5.450 -12.299 -4.199 1.00 0.00 N ATOM 1011 CA GLU A 65 6.803 -12.334 -3.553 1.00 0.00 C ATOM 1012 C GLU A 65 7.678 -11.163 -4.022 1.00 0.00 C ATOM 1013 O GLU A 65 8.888 -11.257 -4.070 1.00 0.00 O ATOM 1014 CB GLU A 65 7.497 -13.662 -3.958 1.00 0.00 C ATOM 1015 CG GLU A 65 8.379 -14.165 -2.812 1.00 0.00 C ATOM 1016 CD GLU A 65 9.215 -15.354 -3.290 1.00 0.00 C ATOM 1017 OE1 GLU A 65 10.087 -15.144 -4.118 1.00 0.00 O ATOM 1018 OE2 GLU A 65 8.969 -16.452 -2.821 1.00 0.00 O ATOM 0 H GLU A 65 4.692 -11.980 -3.596 1.00 0.00 H new ATOM 0 HA GLU A 65 6.679 -12.259 -2.473 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.747 -14.413 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.101 -13.508 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.032 -13.365 -2.465 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.759 -14.461 -1.966 1.00 0.00 H new ATOM 1025 N VAL A 66 7.070 -10.052 -4.342 1.00 0.00 N ATOM 1026 CA VAL A 66 7.852 -8.851 -4.781 1.00 0.00 C ATOM 1027 C VAL A 66 8.157 -8.000 -3.534 1.00 0.00 C ATOM 1028 O VAL A 66 7.357 -7.909 -2.624 1.00 0.00 O ATOM 1029 CB VAL A 66 6.999 -8.056 -5.798 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.354 -6.564 -5.771 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.245 -8.600 -7.214 1.00 0.00 C ATOM 0 H VAL A 66 6.059 -9.921 -4.319 1.00 0.00 H new ATOM 0 HA VAL A 66 8.790 -9.135 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 66 5.951 -8.173 -5.524 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.739 -6.030 -6.496 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.169 -6.164 -4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.406 -6.436 -6.024 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.643 -8.039 -7.929 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.300 -8.495 -7.466 1.00 0.00 H new ATOM 0 HG23 VAL A 66 6.966 -9.653 -7.253 1.00 0.00 H new ATOM 1041 N SER A 67 9.311 -7.376 -3.489 1.00 0.00 N ATOM 1042 CA SER A 67 9.661 -6.536 -2.303 1.00 0.00 C ATOM 1043 C SER A 67 8.512 -5.540 -2.034 1.00 0.00 C ATOM 1044 O SER A 67 7.834 -5.145 -2.961 1.00 0.00 O ATOM 1045 CB SER A 67 10.965 -5.772 -2.586 1.00 0.00 C ATOM 1046 OG SER A 67 11.807 -6.572 -3.402 1.00 0.00 O ATOM 0 H SER A 67 10.022 -7.413 -4.220 1.00 0.00 H new ATOM 0 HA SER A 67 9.803 -7.169 -1.427 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.746 -4.828 -3.084 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.469 -5.530 -1.650 1.00 0.00 H new ATOM 0 HG SER A 67 12.639 -6.088 -3.587 1.00 0.00 H new ATOM 1052 N PRO A 68 8.301 -5.159 -0.786 1.00 0.00 N ATOM 1053 CA PRO A 68 7.211 -4.220 -0.448 1.00 0.00 C ATOM 1054 C PRO A 68 7.458 -2.820 -1.044 1.00 0.00 C ATOM 1055 O PRO A 68 6.541 -2.151 -1.468 1.00 0.00 O ATOM 1056 CB PRO A 68 7.221 -4.148 1.099 1.00 0.00 C ATOM 1057 CG PRO A 68 8.518 -4.850 1.584 1.00 0.00 C ATOM 1058 CD PRO A 68 9.096 -5.620 0.380 1.00 0.00 C ATOM 0 HA PRO A 68 6.257 -4.557 -0.853 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.196 -3.112 1.436 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.340 -4.639 1.513 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.236 -4.118 1.954 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.303 -5.530 2.408 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.156 -5.405 0.245 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.005 -6.697 0.519 1.00 0.00 H new ATOM 1066 N GLU A 69 8.673 -2.356 -1.038 1.00 0.00 N ATOM 1067 CA GLU A 69 8.952 -0.985 -1.563 1.00 0.00 C ATOM 1068 C GLU A 69 8.895 -0.973 -3.099 1.00 0.00 C ATOM 1069 O GLU A 69 8.701 0.061 -3.723 1.00 0.00 O ATOM 1070 CB GLU A 69 10.338 -0.555 -1.068 1.00 0.00 C ATOM 1071 CG GLU A 69 10.841 0.656 -1.861 1.00 0.00 C ATOM 1072 CD GLU A 69 11.972 1.344 -1.093 1.00 0.00 C ATOM 1073 OE1 GLU A 69 11.672 2.207 -0.283 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.119 0.997 -1.327 1.00 0.00 O ATOM 0 H GLU A 69 9.488 -2.863 -0.693 1.00 0.00 H new ATOM 0 HA GLU A 69 8.197 -0.287 -1.202 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.291 -0.308 -0.007 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.040 -1.382 -1.172 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.195 0.339 -2.842 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.024 1.357 -2.029 1.00 0.00 H new ATOM 1081 N LEU A 70 9.034 -2.108 -3.718 1.00 0.00 N ATOM 1082 CA LEU A 70 8.965 -2.124 -5.203 1.00 0.00 C ATOM 1083 C LEU A 70 7.504 -1.894 -5.608 1.00 0.00 C ATOM 1084 O LEU A 70 7.204 -1.582 -6.743 1.00 0.00 O ATOM 1085 CB LEU A 70 9.506 -3.454 -5.753 1.00 0.00 C ATOM 1086 CG LEU A 70 11.038 -3.486 -5.647 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.546 -4.910 -5.919 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.688 -2.511 -6.650 1.00 0.00 C ATOM 0 H LEU A 70 9.190 -3.011 -3.271 1.00 0.00 H new ATOM 0 HA LEU A 70 9.587 -1.335 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.078 -4.288 -5.196 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.203 -3.576 -6.793 1.00 0.00 H new ATOM 0 HG LEU A 70 11.314 -3.178 -4.639 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.633 -4.929 -5.843 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.119 -5.595 -5.186 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.247 -5.218 -6.921 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.773 -2.556 -6.551 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.404 -2.790 -7.665 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.347 -1.496 -6.444 1.00 0.00 H new ATOM 1100 N VAL A 71 6.591 -2.067 -4.682 1.00 0.00 N ATOM 1101 CA VAL A 71 5.148 -1.880 -5.018 1.00 0.00 C ATOM 1102 C VAL A 71 4.888 -0.423 -5.396 1.00 0.00 C ATOM 1103 O VAL A 71 4.331 -0.148 -6.436 1.00 0.00 O ATOM 1104 CB VAL A 71 4.253 -2.294 -3.819 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.873 -1.586 -3.858 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.047 -3.813 -3.839 1.00 0.00 C ATOM 0 H VAL A 71 6.783 -2.328 -3.715 1.00 0.00 H new ATOM 0 HA VAL A 71 4.899 -2.516 -5.867 1.00 0.00 H new ATOM 0 HB VAL A 71 4.759 -1.991 -2.902 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.277 -1.903 -3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 71 3.017 -0.506 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.354 -1.851 -4.779 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.419 -4.106 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.563 -4.102 -4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.013 -4.312 -3.762 1.00 0.00 H new ATOM 1116 N CYS A 72 5.228 0.517 -4.565 1.00 0.00 N ATOM 1117 CA CYS A 72 4.909 1.919 -4.928 1.00 0.00 C ATOM 1118 C CYS A 72 5.700 2.344 -6.176 1.00 0.00 C ATOM 1119 O CYS A 72 5.275 3.193 -6.934 1.00 0.00 O ATOM 1120 CB CYS A 72 5.240 2.845 -3.750 1.00 0.00 C ATOM 1121 SG CYS A 72 4.270 2.369 -2.302 1.00 0.00 S ATOM 0 H CYS A 72 5.701 0.381 -3.672 1.00 0.00 H new ATOM 0 HA CYS A 72 3.845 1.993 -5.154 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.304 2.789 -3.520 1.00 0.00 H new ATOM 0 HB3 CYS A 72 5.026 3.880 -4.018 1.00 0.00 H new ATOM 1126 N SER A 73 6.849 1.750 -6.395 1.00 0.00 N ATOM 1127 CA SER A 73 7.659 2.118 -7.599 1.00 0.00 C ATOM 1128 C SER A 73 7.085 1.471 -8.881 1.00 0.00 C ATOM 1129 O SER A 73 7.076 2.082 -9.931 1.00 0.00 O ATOM 1130 CB SER A 73 9.108 1.674 -7.402 1.00 0.00 C ATOM 1131 OG SER A 73 9.502 1.937 -6.061 1.00 0.00 O ATOM 0 H SER A 73 7.258 1.032 -5.797 1.00 0.00 H new ATOM 0 HA SER A 73 7.618 3.201 -7.717 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.208 0.611 -7.621 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.760 2.204 -8.096 1.00 0.00 H new ATOM 0 HG SER A 73 9.207 1.203 -5.483 1.00 0.00 H new ATOM 1137 N MET A 74 6.610 0.250 -8.818 1.00 0.00 N ATOM 1138 CA MET A 74 6.049 -0.408 -10.053 1.00 0.00 C ATOM 1139 C MET A 74 4.679 0.198 -10.424 1.00 0.00 C ATOM 1140 O MET A 74 4.389 0.396 -11.589 1.00 0.00 O ATOM 1141 CB MET A 74 5.890 -1.936 -9.803 1.00 0.00 C ATOM 1142 CG MET A 74 7.061 -2.738 -10.406 1.00 0.00 C ATOM 1143 SD MET A 74 6.574 -4.475 -10.600 1.00 0.00 S ATOM 1144 CE MET A 74 5.780 -4.709 -8.989 1.00 0.00 C ATOM 0 H MET A 74 6.584 -0.321 -7.973 1.00 0.00 H new ATOM 0 HA MET A 74 6.739 -0.237 -10.879 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.833 -2.125 -8.731 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.951 -2.280 -10.238 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.343 -2.319 -11.372 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.936 -2.665 -9.760 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.761 -5.771 -8.744 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.341 -4.170 -8.225 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.760 -4.327 -9.027 1.00 0.00 H new ATOM 1154 N LEU A 75 3.828 0.474 -9.475 1.00 0.00 N ATOM 1155 CA LEU A 75 2.488 1.037 -9.833 1.00 0.00 C ATOM 1156 C LEU A 75 2.627 2.498 -10.289 1.00 0.00 C ATOM 1157 O LEU A 75 1.658 3.230 -10.359 1.00 0.00 O ATOM 1158 CB LEU A 75 1.550 0.952 -8.620 1.00 0.00 C ATOM 1159 CG LEU A 75 1.492 -0.490 -8.078 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.400 -0.601 -7.009 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.190 -1.480 -9.214 1.00 0.00 C ATOM 0 H LEU A 75 3.995 0.338 -8.478 1.00 0.00 H new ATOM 0 HA LEU A 75 2.068 0.455 -10.654 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.897 1.627 -7.837 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.550 1.280 -8.903 1.00 0.00 H new ATOM 0 HG LEU A 75 2.461 -0.733 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.364 -1.622 -6.630 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.622 0.082 -6.189 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.564 -0.342 -7.446 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.153 -2.493 -8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.229 -1.233 -9.666 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.973 -1.417 -9.969 1.00 0.00 H new ATOM 1173 N HIS A 76 3.820 2.925 -10.604 1.00 0.00 N ATOM 1174 CA HIS A 76 4.027 4.335 -11.061 1.00 0.00 C ATOM 1175 C HIS A 76 3.348 5.306 -10.087 1.00 0.00 C ATOM 1176 O HIS A 76 3.050 6.428 -10.446 1.00 0.00 O ATOM 1177 CB HIS A 76 3.450 4.516 -12.470 1.00 0.00 C ATOM 1178 CG HIS A 76 3.940 3.405 -13.357 1.00 0.00 C ATOM 1179 ND1 HIS A 76 5.286 3.211 -13.624 1.00 0.00 N ATOM 1180 CD2 HIS A 76 3.276 2.420 -14.045 1.00 0.00 C ATOM 1181 CE1 HIS A 76 5.388 2.147 -14.442 1.00 0.00 C ATOM 1182 NE2 HIS A 76 4.193 1.626 -14.729 1.00 0.00 N ATOM 0 H HIS A 76 4.666 2.357 -10.565 1.00 0.00 H new ATOM 0 HA HIS A 76 5.096 4.548 -11.085 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.361 4.512 -12.432 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.751 5.481 -12.877 1.00 0.00 H new ATOM 0 HD2 HIS A 76 2.205 2.282 -14.054 1.00 0.00 H new ATOM 0 HE1 HIS A 76 6.323 1.762 -14.820 1.00 0.00 H new ATOM 0 HE2 HIS A 76 3.994 0.820 -15.322 1.00 0.00 H new ATOM 1190 N LEU A 77 3.093 4.916 -8.870 1.00 0.00 N ATOM 1191 CA LEU A 77 2.431 5.864 -7.924 1.00 0.00 C ATOM 1192 C LEU A 77 3.487 6.769 -7.288 1.00 0.00 C ATOM 1193 O LEU A 77 3.160 7.737 -6.631 1.00 0.00 O ATOM 1194 CB LEU A 77 1.702 5.084 -6.809 1.00 0.00 C ATOM 1195 CG LEU A 77 0.370 4.470 -7.282 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.380 3.943 -6.054 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.522 5.509 -7.997 1.00 0.00 C ATOM 0 H LEU A 77 3.310 3.995 -8.490 1.00 0.00 H new ATOM 0 HA LEU A 77 1.707 6.464 -8.476 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.353 4.290 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.511 5.753 -5.970 1.00 0.00 H new ATOM 0 HG LEU A 77 0.592 3.672 -7.990 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.327 3.504 -6.367 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.225 3.185 -5.556 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.572 4.765 -5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.451 5.035 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.748 6.327 -7.313 1.00 0.00 H new ATOM 0 HD23 LEU A 77 0.002 5.900 -8.869 1.00 0.00 H new ATOM 1209 N CYS A 78 4.748 6.458 -7.460 1.00 0.00 N ATOM 1210 CA CYS A 78 5.826 7.297 -6.845 1.00 0.00 C ATOM 1211 C CYS A 78 6.899 7.623 -7.889 1.00 0.00 C ATOM 1212 O CYS A 78 7.135 6.917 -8.849 1.00 0.00 O ATOM 1213 CB CYS A 78 6.428 6.517 -5.686 1.00 0.00 C ATOM 1214 SG CYS A 78 5.170 6.417 -4.387 1.00 0.00 S ATOM 0 H CYS A 78 5.079 5.659 -8.000 1.00 0.00 H new ATOM 0 HA CYS A 78 5.414 8.239 -6.484 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.726 5.520 -6.009 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.325 7.013 -5.314 1.00 0.00 H new ATOM 1219 N SER A 79 7.559 8.717 -7.621 1.00 0.00 N ATOM 1220 CA SER A 79 8.683 9.253 -8.444 1.00 0.00 C ATOM 1221 C SER A 79 8.146 10.276 -9.453 1.00 0.00 C ATOM 1222 O SER A 79 8.697 10.444 -10.524 1.00 0.00 O ATOM 1223 CB SER A 79 9.453 8.130 -9.138 1.00 0.00 C ATOM 1224 OG SER A 79 8.813 7.812 -10.367 1.00 0.00 O ATOM 0 H SER A 79 7.348 9.298 -6.809 1.00 0.00 H new ATOM 0 HA SER A 79 9.389 9.756 -7.784 1.00 0.00 H new ATOM 0 HB2 SER A 79 10.483 8.438 -9.320 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.492 7.250 -8.496 1.00 0.00 H new ATOM 0 HG SER A 79 7.882 7.558 -10.195 1.00 0.00 H new ATOM 1230 N GLY A 80 7.084 10.965 -9.129 1.00 0.00 N ATOM 1231 CA GLY A 80 6.531 11.973 -10.087 1.00 0.00 C ATOM 1232 C GLY A 80 5.028 12.140 -9.850 1.00 0.00 C ATOM 1233 O GLY A 80 4.266 11.210 -10.010 1.00 0.00 O ATOM 0 H GLY A 80 6.577 10.876 -8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 80 7.038 12.929 -9.957 1.00 0.00 H new ATOM 0 HA3 GLY A 80 6.714 11.653 -11.113 1.00 0.00 H new ATOM 1237 N LEU A 81 4.602 13.321 -9.472 1.00 0.00 N ATOM 1238 CA LEU A 81 3.149 13.577 -9.217 1.00 0.00 C ATOM 1239 C LEU A 81 3.041 14.916 -8.479 1.00 0.00 C ATOM 1240 O LEU A 81 1.989 15.298 -8.006 1.00 0.00 O ATOM 1241 CB LEU A 81 2.536 12.441 -8.344 1.00 0.00 C ATOM 1242 CG LEU A 81 1.560 11.581 -9.173 1.00 0.00 C ATOM 1243 CD1 LEU A 81 1.346 10.232 -8.482 1.00 0.00 C ATOM 1244 CD2 LEU A 81 0.213 12.303 -9.293 1.00 0.00 C ATOM 0 H LEU A 81 5.207 14.129 -9.327 1.00 0.00 H new ATOM 0 HA LEU A 81 2.601 13.605 -10.159 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.332 11.813 -7.945 1.00 0.00 H new ATOM 0 HB3 LEU A 81 2.013 12.873 -7.491 1.00 0.00 H new ATOM 0 HG LEU A 81 1.981 11.421 -10.166 1.00 0.00 H new ATOM 0 HD11 LEU A 81 0.656 9.627 -9.070 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.300 9.712 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.929 10.394 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.475 11.694 -9.879 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.203 12.465 -8.299 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.358 13.264 -9.787 1.00 0.00 H new ATOM 1256 N VAL A 82 4.136 15.633 -8.400 1.00 0.00 N ATOM 1257 CA VAL A 82 4.138 16.969 -7.715 1.00 0.00 C ATOM 1258 C VAL A 82 4.555 18.057 -8.729 1.00 0.00 C ATOM 1259 O VAL A 82 5.733 18.315 -8.876 1.00 0.00 O ATOM 1260 CB VAL A 82 5.163 16.935 -6.568 1.00 0.00 C ATOM 1261 CG1 VAL A 82 4.522 16.328 -5.316 1.00 0.00 C ATOM 1262 CG2 VAL A 82 6.364 16.081 -6.988 1.00 0.00 C ATOM 0 H VAL A 82 5.037 15.349 -8.784 1.00 0.00 H new ATOM 0 HA VAL A 82 3.144 17.190 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 82 5.491 17.951 -6.347 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.252 16.306 -4.507 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.666 16.933 -5.016 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.191 15.312 -5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 82 7.093 16.054 -6.178 1.00 0.00 H new ATOM 0 HG22 VAL A 82 6.030 15.067 -7.209 1.00 0.00 H new ATOM 0 HG23 VAL A 82 6.825 16.513 -7.876 1.00 0.00 H new ATOM 1272 N PRO A 83 3.602 18.675 -9.411 1.00 0.00 N ATOM 1273 CA PRO A 83 3.939 19.719 -10.397 1.00 0.00 C ATOM 1274 C PRO A 83 4.537 20.932 -9.671 1.00 0.00 C ATOM 1275 O PRO A 83 4.787 21.963 -10.266 1.00 0.00 O ATOM 1276 CB PRO A 83 2.596 20.072 -11.083 1.00 0.00 C ATOM 1277 CG PRO A 83 1.484 19.226 -10.395 1.00 0.00 C ATOM 1278 CD PRO A 83 2.153 18.402 -9.271 1.00 0.00 C ATOM 0 HA PRO A 83 4.679 19.394 -11.129 1.00 0.00 H new ATOM 0 HB2 PRO A 83 2.384 21.137 -10.986 1.00 0.00 H new ATOM 0 HB3 PRO A 83 2.641 19.852 -12.150 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.708 19.873 -9.986 1.00 0.00 H new ATOM 0 HG3 PRO A 83 1.001 18.568 -11.117 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.787 18.703 -8.289 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.939 17.339 -9.379 1.00 0.00 H new ATOM 1286 N ARG A 84 4.768 20.816 -8.392 1.00 0.00 N ATOM 1287 CA ARG A 84 5.347 21.959 -7.632 1.00 0.00 C ATOM 1288 C ARG A 84 5.910 21.454 -6.302 1.00 0.00 C ATOM 1289 O ARG A 84 5.123 21.037 -5.468 1.00 0.00 O ATOM 1290 CB ARG A 84 4.254 22.995 -7.364 1.00 0.00 C ATOM 1291 CG ARG A 84 4.879 24.253 -6.756 1.00 0.00 C ATOM 1292 CD ARG A 84 3.786 25.293 -6.502 1.00 0.00 C ATOM 1293 NE ARG A 84 4.370 26.461 -5.785 1.00 0.00 N ATOM 1294 CZ ARG A 84 3.709 27.584 -5.725 1.00 0.00 C ATOM 1295 NH1 ARG A 84 2.539 27.685 -6.294 1.00 0.00 N ATOM 1296 NH2 ARG A 84 4.220 28.608 -5.096 1.00 0.00 N ATOM 1297 OXT ARG A 84 7.118 21.493 -6.141 1.00 0.00 O ATOM 0 H ARG A 84 4.581 19.979 -7.841 1.00 0.00 H new ATOM 0 HA ARG A 84 6.147 22.416 -8.214 1.00 0.00 H new ATOM 0 HB2 ARG A 84 3.739 23.244 -8.292 1.00 0.00 H new ATOM 0 HB3 ARG A 84 3.507 22.583 -6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 84 5.385 24.006 -5.823 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.633 24.659 -7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 84 3.348 25.614 -7.447 1.00 0.00 H new ATOM 0 HD3 ARG A 84 2.982 24.855 -5.911 1.00 0.00 H new ATOM 0 HE ARG A 84 5.285 26.383 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG A 84 2.141 26.885 -6.786 1.00 0.00 H new ATOM 0 HH12 ARG A 84 2.023 28.564 -6.247 1.00 0.00 H new ATOM 0 HH21 ARG A 84 5.135 28.529 -4.652 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.704 29.487 -5.048 1.00 0.00 H new TER 1311 ARG A 84