USER MOD reduce.3.24.130724 H: found=0, std=0, add=1052, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1053 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 115 GLN : amide:sc= 1.01 K(o=1.3,f=-0.79!) USER MOD Set 1.2: A 117 TYR OH : rot -25:sc= 0.291 USER MOD Set 2.1: A 98 ASN : amide:sc= -0.296 K(o=-1.1,f=-1.9) USER MOD Set 2.2: A 100 ASN :FLIP amide:sc= -0.814 F(o=-1.9!,f=-1.1) USER MOD Set 3.1: A 14 TYR OH : rot 180:sc= -4.88! USER MOD Set 3.2: A 18 MET CE :methyl 168:sc= -5.29! (180deg=-5.35!) USER MOD Single : A 1 ALA N :NH3+ -127:sc= -8.73! (180deg=-15!) USER MOD Single : A 4 SER OG : rot 86:sc= -2.11! USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.796 USER MOD Single : A 7 LYS NZ :NH3+ -135:sc= 0.384 (180deg=-0.159) USER MOD Single : A 11 SER OG : rot 65:sc= 0.294 USER MOD Single : A 13 ASN : amide:sc= 0.14 K(o=0.14,f=-1.1) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -125:sc= -1.62! (180deg=-5.24!) USER MOD Single : A 21 MET CE :methyl -110:sc= -0.937 (180deg=-3.47!) USER MOD Single : A 24 ASN : amide:sc= 0.195! C(o=0.19!,f=-7.9!) USER MOD Single : A 27 LYS NZ :NH3+ 160:sc= -0.0205 (180deg=-0.463) USER MOD Single : A 29 LYS NZ :NH3+ -159:sc= -0.0644 (180deg=-0.584) USER MOD Single : A 33 HIS :FLIP no HD1:sc= -1.18 F(o=-2!,f=-1.2) USER MOD Single : A 35 ASN : amide:sc= -0.211 K(o=-0.21,f=-0.93) USER MOD Single : A 37 LYS NZ :NH3+ 157:sc= 0.01 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.631 K(o=-0.63,f=-2.2!) USER MOD Single : A 45 ASN :FLIP amide:sc= -0.263 F(o=-6.7!,f=-0.26) USER MOD Single : A 46 LYS NZ :NH3+ 178:sc= 1.21 (180deg=1.11) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.793 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= -0.668 USER MOD Single : A 53 SER OG : rot -140:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.124 K(o=-0.12,f=-3.6!) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0.0436 USER MOD Single : A 69 ASN :FLIP amide:sc= -0.847 F(o=-6.6!,f=-0.85) USER MOD Single : A 71 ASN : amide:sc= -9.59! C(o=-9.6!,f=-12!) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.77 USER MOD Single : A 81 THR OG1 : rot -94:sc= -1.53! USER MOD Single : A 83 SER OG : rot 15:sc= 0.0111 USER MOD Single : A 87 ASN : amide:sc=-0.00296 X(o=-0.003,f=-0.003) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 THR OG1 : rot 62:sc= -2.18! USER MOD Single : A 103 ASN :FLIP amide:sc= -0.0437 F(o=-1.1,f=-0.044) USER MOD Single : A 104 THR OG1 : rot 59:sc= -0.0546! USER MOD Single : A 116 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 TYR OH : rot -80:sc= -2.64 USER MOD Single : A 125 LYS NZ :NH3+ -132:sc= 1.1 (180deg=-0.873) USER MOD Single : A 129 LYS NZ :NH3+ -145:sc= -0.322 (180deg=-1.57!) USER MOD Single : A 130 LYS NZ :NH3+ -162:sc= -0.0217 (180deg=-0.313) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 114.321 3.632 -5.029 1.00 0.00 N ATOM 2 CA ALA A 1 114.491 5.103 -5.197 1.00 0.00 C ATOM 3 C ALA A 1 114.977 5.399 -6.618 1.00 0.00 C ATOM 4 O ALA A 1 115.752 6.308 -6.843 1.00 0.00 O ATOM 5 CB ALA A 1 115.519 5.613 -4.181 1.00 0.00 C ATOM 0 H1 ALA A 1 113.364 3.431 -4.675 1.00 0.00 H new ATOM 0 H2 ALA A 1 114.457 3.160 -5.946 1.00 0.00 H new ATOM 0 H3 ALA A 1 115.023 3.277 -4.349 1.00 0.00 H new ATOM 0 HA ALA A 1 113.538 5.605 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 1 115.646 6.689 -4.301 1.00 0.00 H new ATOM 0 HB2 ALA A 1 115.169 5.399 -3.171 1.00 0.00 H new ATOM 0 HB3 ALA A 1 116.474 5.114 -4.348 1.00 0.00 H new ATOM 13 N PHE A 2 114.531 4.638 -7.579 1.00 0.00 N ATOM 14 CA PHE A 2 114.972 4.877 -8.983 1.00 0.00 C ATOM 15 C PHE A 2 114.607 6.292 -9.398 1.00 0.00 C ATOM 16 O PHE A 2 114.703 6.659 -10.552 1.00 0.00 O ATOM 17 CB PHE A 2 114.248 3.922 -9.923 1.00 0.00 C ATOM 18 CG PHE A 2 114.928 2.579 -9.971 1.00 0.00 C ATOM 19 CD1 PHE A 2 114.214 1.430 -9.612 1.00 0.00 C ATOM 20 CD2 PHE A 2 116.249 2.476 -10.417 1.00 0.00 C ATOM 21 CE1 PHE A 2 114.822 0.175 -9.694 1.00 0.00 C ATOM 22 CE2 PHE A 2 116.860 1.222 -10.493 1.00 0.00 C ATOM 23 CZ PHE A 2 116.148 0.071 -10.133 1.00 0.00 C ATOM 0 H PHE A 2 113.881 3.862 -7.454 1.00 0.00 H new ATOM 0 HA PHE A 2 116.050 4.723 -9.038 1.00 0.00 H new ATOM 0 HB2 PHE A 2 113.216 3.798 -9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 2 114.214 4.351 -10.925 1.00 0.00 H new ATOM 0 HD1 PHE A 2 113.193 1.514 -9.271 1.00 0.00 H new ATOM 0 HD2 PHE A 2 116.795 3.363 -10.702 1.00 0.00 H new ATOM 0 HE1 PHE A 2 114.271 -0.713 -9.420 1.00 0.00 H new ATOM 0 HE2 PHE A 2 117.883 1.140 -10.830 1.00 0.00 H new ATOM 0 HZ PHE A 2 116.622 -0.898 -10.194 1.00 0.00 H new ATOM 33 N ASP A 3 114.176 7.077 -8.471 1.00 0.00 N ATOM 34 CA ASP A 3 113.775 8.473 -8.804 1.00 0.00 C ATOM 35 C ASP A 3 113.068 8.479 -10.167 1.00 0.00 C ATOM 36 O ASP A 3 113.417 9.234 -11.053 1.00 0.00 O ATOM 37 CB ASP A 3 115.022 9.359 -8.870 1.00 0.00 C ATOM 38 CG ASP A 3 116.095 8.668 -9.712 1.00 0.00 C ATOM 39 OD1 ASP A 3 116.925 7.985 -9.134 1.00 0.00 O ATOM 40 OD2 ASP A 3 116.070 8.833 -10.921 1.00 0.00 O ATOM 0 H ASP A 3 114.080 6.820 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 3 113.101 8.856 -8.038 1.00 0.00 H new ATOM 0 HB2 ASP A 3 114.771 10.327 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 3 115.400 9.549 -7.865 1.00 0.00 H new ATOM 45 N SER A 4 112.085 7.632 -10.348 1.00 0.00 N ATOM 46 CA SER A 4 111.371 7.585 -11.662 1.00 0.00 C ATOM 47 C SER A 4 110.109 6.720 -11.551 1.00 0.00 C ATOM 48 O SER A 4 109.482 6.645 -10.513 1.00 0.00 O ATOM 49 CB SER A 4 112.299 6.991 -12.721 1.00 0.00 C ATOM 50 OG SER A 4 113.635 7.397 -12.456 1.00 0.00 O ATOM 0 H SER A 4 111.747 6.974 -9.646 1.00 0.00 H new ATOM 0 HA SER A 4 111.083 8.597 -11.945 1.00 0.00 H new ATOM 0 HB2 SER A 4 112.229 5.903 -12.713 1.00 0.00 H new ATOM 0 HB3 SER A 4 111.996 7.323 -13.714 1.00 0.00 H new ATOM 0 HG SER A 4 114.045 6.776 -11.818 1.00 0.00 H new ATOM 56 N THR A 5 109.728 6.078 -12.626 1.00 0.00 N ATOM 57 CA THR A 5 108.499 5.226 -12.603 1.00 0.00 C ATOM 58 C THR A 5 108.889 3.746 -12.523 1.00 0.00 C ATOM 59 O THR A 5 109.712 3.267 -13.279 1.00 0.00 O ATOM 60 CB THR A 5 107.692 5.473 -13.881 1.00 0.00 C ATOM 61 OG1 THR A 5 107.044 6.734 -13.792 1.00 0.00 O ATOM 62 CG2 THR A 5 106.646 4.370 -14.050 1.00 0.00 C ATOM 0 H THR A 5 110.216 6.107 -13.521 1.00 0.00 H new ATOM 0 HA THR A 5 107.898 5.483 -11.731 1.00 0.00 H new ATOM 0 HB THR A 5 108.362 5.467 -14.741 1.00 0.00 H new ATOM 0 HG1 THR A 5 106.528 6.895 -14.610 1.00 0.00 H new ATOM 0 HG21 THR A 5 106.073 4.548 -14.960 1.00 0.00 H new ATOM 0 HG22 THR A 5 107.145 3.403 -14.118 1.00 0.00 H new ATOM 0 HG23 THR A 5 105.974 4.372 -13.192 1.00 0.00 H new ATOM 70 N TRP A 6 108.308 3.021 -11.603 1.00 0.00 N ATOM 71 CA TRP A 6 108.643 1.573 -11.456 1.00 0.00 C ATOM 72 C TRP A 6 107.401 0.825 -10.965 1.00 0.00 C ATOM 73 O TRP A 6 106.431 1.430 -10.559 1.00 0.00 O ATOM 74 CB TRP A 6 109.783 1.426 -10.447 1.00 0.00 C ATOM 75 CG TRP A 6 111.010 2.057 -11.016 1.00 0.00 C ATOM 76 CD1 TRP A 6 111.214 3.388 -11.141 1.00 0.00 C ATOM 77 CD2 TRP A 6 112.201 1.410 -11.544 1.00 0.00 C ATOM 78 NE1 TRP A 6 112.444 3.596 -11.730 1.00 0.00 N ATOM 79 CE2 TRP A 6 113.096 2.408 -11.990 1.00 0.00 C ATOM 80 CE3 TRP A 6 112.587 0.067 -11.678 1.00 0.00 C ATOM 81 CZ2 TRP A 6 114.332 2.086 -12.551 1.00 0.00 C ATOM 82 CZ3 TRP A 6 113.830 -0.263 -12.242 1.00 0.00 C ATOM 83 CH2 TRP A 6 114.701 0.744 -12.678 1.00 0.00 C ATOM 0 H TRP A 6 107.613 3.371 -10.944 1.00 0.00 H new ATOM 0 HA TRP A 6 108.958 1.156 -12.412 1.00 0.00 H new ATOM 0 HB2 TRP A 6 109.516 1.902 -9.503 1.00 0.00 H new ATOM 0 HB3 TRP A 6 109.964 0.373 -10.233 1.00 0.00 H new ATOM 0 HD1 TRP A 6 110.527 4.161 -10.831 1.00 0.00 H new ATOM 0 HE1 TRP A 6 112.825 4.517 -11.947 1.00 0.00 H new ATOM 0 HE3 TRP A 6 111.924 -0.718 -11.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 114.998 2.868 -12.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 114.116 -1.300 -12.340 1.00 0.00 H new ATOM 0 HH2 TRP A 6 115.655 0.484 -13.111 1.00 0.00 H new ATOM 94 N LYS A 7 107.404 -0.483 -11.005 1.00 0.00 N ATOM 95 CA LYS A 7 106.198 -1.229 -10.545 1.00 0.00 C ATOM 96 C LYS A 7 106.586 -2.619 -10.035 1.00 0.00 C ATOM 97 O LYS A 7 107.416 -3.297 -10.607 1.00 0.00 O ATOM 98 CB LYS A 7 105.218 -1.372 -11.710 1.00 0.00 C ATOM 99 CG LYS A 7 105.699 -2.476 -12.656 1.00 0.00 C ATOM 100 CD LYS A 7 104.969 -2.356 -13.993 1.00 0.00 C ATOM 101 CE LYS A 7 105.480 -3.432 -14.954 1.00 0.00 C ATOM 102 NZ LYS A 7 104.517 -3.591 -16.080 1.00 0.00 N ATOM 0 H LYS A 7 108.179 -1.059 -11.332 1.00 0.00 H new ATOM 0 HA LYS A 7 105.732 -0.675 -9.730 1.00 0.00 H new ATOM 0 HB2 LYS A 7 104.223 -1.610 -11.334 1.00 0.00 H new ATOM 0 HB3 LYS A 7 105.138 -0.428 -12.248 1.00 0.00 H new ATOM 0 HG2 LYS A 7 106.775 -2.395 -12.809 1.00 0.00 H new ATOM 0 HG3 LYS A 7 105.512 -3.455 -12.214 1.00 0.00 H new ATOM 0 HD2 LYS A 7 103.895 -2.467 -13.844 1.00 0.00 H new ATOM 0 HD3 LYS A 7 105.131 -1.366 -14.420 1.00 0.00 H new ATOM 0 HE2 LYS A 7 106.462 -3.155 -15.338 1.00 0.00 H new ATOM 0 HE3 LYS A 7 105.599 -4.379 -14.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 104.355 -4.603 -16.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 103.616 -3.135 -15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 104.907 -3.147 -16.936 1.00 0.00 H new ATOM 116 N VAL A 8 105.979 -3.048 -8.962 1.00 0.00 N ATOM 117 CA VAL A 8 106.289 -4.391 -8.406 1.00 0.00 C ATOM 118 C VAL A 8 106.334 -5.425 -9.527 1.00 0.00 C ATOM 119 O VAL A 8 105.322 -5.823 -10.067 1.00 0.00 O ATOM 120 CB VAL A 8 105.217 -4.778 -7.383 1.00 0.00 C ATOM 121 CG1 VAL A 8 103.849 -4.287 -7.863 1.00 0.00 C ATOM 122 CG2 VAL A 8 105.186 -6.301 -7.218 1.00 0.00 C ATOM 0 H VAL A 8 105.277 -2.520 -8.445 1.00 0.00 H new ATOM 0 HA VAL A 8 107.263 -4.361 -7.918 1.00 0.00 H new ATOM 0 HB VAL A 8 105.452 -4.316 -6.424 1.00 0.00 H new ATOM 0 HG11 VAL A 8 103.087 -4.563 -7.134 1.00 0.00 H new ATOM 0 HG12 VAL A 8 103.870 -3.203 -7.973 1.00 0.00 H new ATOM 0 HG13 VAL A 8 103.615 -4.745 -8.824 1.00 0.00 H new ATOM 0 HG21 VAL A 8 104.422 -6.573 -6.489 1.00 0.00 H new ATOM 0 HG22 VAL A 8 104.955 -6.766 -8.176 1.00 0.00 H new ATOM 0 HG23 VAL A 8 106.159 -6.649 -6.871 1.00 0.00 H new ATOM 132 N ASP A 9 107.509 -5.879 -9.860 1.00 0.00 N ATOM 133 CA ASP A 9 107.639 -6.908 -10.922 1.00 0.00 C ATOM 134 C ASP A 9 107.807 -8.263 -10.241 1.00 0.00 C ATOM 135 O ASP A 9 107.410 -9.289 -10.756 1.00 0.00 O ATOM 136 CB ASP A 9 108.867 -6.605 -11.785 1.00 0.00 C ATOM 137 CG ASP A 9 108.648 -7.148 -13.198 1.00 0.00 C ATOM 138 OD1 ASP A 9 107.750 -7.956 -13.368 1.00 0.00 O ATOM 139 OD2 ASP A 9 109.383 -6.747 -14.086 1.00 0.00 O ATOM 0 H ASP A 9 108.388 -5.579 -9.439 1.00 0.00 H new ATOM 0 HA ASP A 9 106.757 -6.911 -11.562 1.00 0.00 H new ATOM 0 HB2 ASP A 9 109.042 -5.530 -11.821 1.00 0.00 H new ATOM 0 HB3 ASP A 9 109.755 -7.058 -11.344 1.00 0.00 H new ATOM 144 N ARG A 10 108.390 -8.264 -9.071 1.00 0.00 N ATOM 145 CA ARG A 10 108.585 -9.543 -8.332 1.00 0.00 C ATOM 146 C ARG A 10 108.351 -9.311 -6.836 1.00 0.00 C ATOM 147 O ARG A 10 108.208 -8.192 -6.386 1.00 0.00 O ATOM 148 CB ARG A 10 110.011 -10.051 -8.554 1.00 0.00 C ATOM 149 CG ARG A 10 110.073 -10.840 -9.861 1.00 0.00 C ATOM 150 CD ARG A 10 109.718 -12.304 -9.593 1.00 0.00 C ATOM 151 NE ARG A 10 109.617 -13.037 -10.887 1.00 0.00 N ATOM 152 CZ ARG A 10 108.497 -13.026 -11.558 1.00 0.00 C ATOM 153 NH1 ARG A 10 108.410 -13.667 -12.691 1.00 0.00 N ATOM 154 NH2 ARG A 10 107.465 -12.375 -11.095 1.00 0.00 N ATOM 0 H ARG A 10 108.740 -7.432 -8.596 1.00 0.00 H new ATOM 0 HA ARG A 10 107.876 -10.285 -8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 10 110.706 -9.212 -8.590 1.00 0.00 H new ATOM 0 HB3 ARG A 10 110.317 -10.683 -7.720 1.00 0.00 H new ATOM 0 HG2 ARG A 10 109.381 -10.414 -10.588 1.00 0.00 H new ATOM 0 HG3 ARG A 10 111.071 -10.770 -10.293 1.00 0.00 H new ATOM 0 HD2 ARG A 10 110.478 -12.764 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 10 108.773 -12.367 -9.053 1.00 0.00 H new ATOM 0 HE ARG A 10 110.423 -13.547 -11.248 1.00 0.00 H new ATOM 0 HH11 ARG A 10 109.217 -14.176 -13.052 1.00 0.00 H new ATOM 0 HH12 ARG A 10 107.535 -13.659 -13.216 1.00 0.00 H new ATOM 0 HH21 ARG A 10 107.533 -11.875 -10.209 1.00 0.00 H new ATOM 0 HH22 ARG A 10 106.590 -12.367 -11.619 1.00 0.00 H new ATOM 168 N SER A 11 108.307 -10.363 -6.060 1.00 0.00 N ATOM 169 CA SER A 11 108.080 -10.203 -4.594 1.00 0.00 C ATOM 170 C SER A 11 108.241 -11.561 -3.903 1.00 0.00 C ATOM 171 O SER A 11 108.478 -12.566 -4.542 1.00 0.00 O ATOM 172 CB SER A 11 106.667 -9.673 -4.352 1.00 0.00 C ATOM 173 OG SER A 11 106.387 -9.703 -2.958 1.00 0.00 O ATOM 0 H SER A 11 108.419 -11.325 -6.379 1.00 0.00 H new ATOM 0 HA SER A 11 108.806 -9.499 -4.188 1.00 0.00 H new ATOM 0 HB2 SER A 11 106.578 -8.655 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 11 105.941 -10.279 -4.894 1.00 0.00 H new ATOM 0 HG SER A 11 106.984 -9.082 -2.491 1.00 0.00 H new ATOM 179 N GLU A 12 108.115 -11.601 -2.602 1.00 0.00 N ATOM 180 CA GLU A 12 108.263 -12.897 -1.883 1.00 0.00 C ATOM 181 C GLU A 12 107.516 -12.839 -0.546 1.00 0.00 C ATOM 182 O GLU A 12 107.279 -11.778 -0.001 1.00 0.00 O ATOM 183 CB GLU A 12 109.750 -13.182 -1.640 1.00 0.00 C ATOM 184 CG GLU A 12 110.179 -12.617 -0.282 1.00 0.00 C ATOM 185 CD GLU A 12 111.696 -12.420 -0.266 1.00 0.00 C ATOM 186 OE1 GLU A 12 112.326 -12.742 -1.261 1.00 0.00 O ATOM 187 OE2 GLU A 12 112.202 -11.951 0.739 1.00 0.00 O ATOM 0 H GLU A 12 107.917 -10.794 -2.010 1.00 0.00 H new ATOM 0 HA GLU A 12 107.839 -13.697 -2.490 1.00 0.00 H new ATOM 0 HB2 GLU A 12 109.932 -14.256 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 12 110.348 -12.735 -2.434 1.00 0.00 H new ATOM 0 HG2 GLU A 12 109.677 -11.668 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 12 109.882 -13.297 0.517 1.00 0.00 H new ATOM 194 N ASN A 13 107.149 -13.978 -0.018 1.00 0.00 N ATOM 195 CA ASN A 13 106.420 -14.011 1.283 1.00 0.00 C ATOM 196 C ASN A 13 105.122 -13.208 1.165 1.00 0.00 C ATOM 197 O ASN A 13 104.191 -13.610 0.495 1.00 0.00 O ATOM 198 CB ASN A 13 107.301 -13.412 2.383 1.00 0.00 C ATOM 199 CG ASN A 13 108.227 -14.494 2.941 1.00 0.00 C ATOM 200 OD1 ASN A 13 108.507 -15.471 2.275 1.00 0.00 O ATOM 201 ND2 ASN A 13 108.718 -14.361 4.143 1.00 0.00 N ATOM 0 H ASN A 13 107.325 -14.892 -0.436 1.00 0.00 H new ATOM 0 HA ASN A 13 106.182 -15.044 1.537 1.00 0.00 H new ATOM 0 HB2 ASN A 13 107.889 -12.586 1.983 1.00 0.00 H new ATOM 0 HB3 ASN A 13 106.679 -13.004 3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 13 109.337 -15.077 4.523 1.00 0.00 H new ATOM 0 HD22 ASN A 13 108.483 -13.541 4.702 1.00 0.00 H new ATOM 208 N TYR A 14 105.054 -12.074 1.806 1.00 0.00 N ATOM 209 CA TYR A 14 103.820 -11.246 1.730 1.00 0.00 C ATOM 210 C TYR A 14 102.712 -11.883 2.566 1.00 0.00 C ATOM 211 O TYR A 14 102.118 -11.241 3.408 1.00 0.00 O ATOM 212 CB TYR A 14 103.373 -11.134 0.267 1.00 0.00 C ATOM 213 CG TYR A 14 102.839 -9.746 -0.006 1.00 0.00 C ATOM 214 CD1 TYR A 14 103.509 -8.622 0.494 1.00 0.00 C ATOM 215 CD2 TYR A 14 101.672 -9.585 -0.763 1.00 0.00 C ATOM 216 CE1 TYR A 14 103.012 -7.339 0.236 1.00 0.00 C ATOM 217 CE2 TYR A 14 101.175 -8.302 -1.020 1.00 0.00 C ATOM 218 CZ TYR A 14 101.845 -7.178 -0.520 1.00 0.00 C ATOM 219 OH TYR A 14 101.355 -5.914 -0.774 1.00 0.00 O ATOM 0 H TYR A 14 105.802 -11.685 2.380 1.00 0.00 H new ATOM 0 HA TYR A 14 104.027 -10.251 2.123 1.00 0.00 H new ATOM 0 HB2 TYR A 14 104.212 -11.347 -0.395 1.00 0.00 H new ATOM 0 HB3 TYR A 14 102.604 -11.877 0.055 1.00 0.00 H new ATOM 0 HD1 TYR A 14 104.409 -8.745 1.078 1.00 0.00 H new ATOM 0 HD2 TYR A 14 101.155 -10.451 -1.149 1.00 0.00 H new ATOM 0 HE1 TYR A 14 103.529 -6.473 0.621 1.00 0.00 H new ATOM 0 HE2 TYR A 14 100.275 -8.179 -1.604 1.00 0.00 H new ATOM 0 HH TYR A 14 100.540 -5.982 -1.313 1.00 0.00 H new ATOM 229 N ASP A 15 102.427 -13.133 2.351 1.00 0.00 N ATOM 230 CA ASP A 15 101.354 -13.781 3.151 1.00 0.00 C ATOM 231 C ASP A 15 101.731 -13.718 4.626 1.00 0.00 C ATOM 232 O ASP A 15 100.948 -13.307 5.460 1.00 0.00 O ATOM 233 CB ASP A 15 101.192 -15.240 2.717 1.00 0.00 C ATOM 234 CG ASP A 15 100.348 -15.303 1.443 1.00 0.00 C ATOM 235 OD1 ASP A 15 99.626 -16.274 1.282 1.00 0.00 O ATOM 236 OD2 ASP A 15 100.440 -14.382 0.650 1.00 0.00 O ATOM 0 H ASP A 15 102.885 -13.731 1.663 1.00 0.00 H new ATOM 0 HA ASP A 15 100.410 -13.260 2.991 1.00 0.00 H new ATOM 0 HB2 ASP A 15 102.170 -15.689 2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 15 100.715 -15.816 3.510 1.00 0.00 H new ATOM 241 N LYS A 16 102.928 -14.102 4.955 1.00 0.00 N ATOM 242 CA LYS A 16 103.353 -14.042 6.377 1.00 0.00 C ATOM 243 C LYS A 16 103.272 -12.590 6.839 1.00 0.00 C ATOM 244 O LYS A 16 102.951 -12.303 7.976 1.00 0.00 O ATOM 245 CB LYS A 16 104.791 -14.550 6.512 1.00 0.00 C ATOM 246 CG LYS A 16 104.919 -15.907 5.817 1.00 0.00 C ATOM 247 CD LYS A 16 106.284 -16.519 6.139 1.00 0.00 C ATOM 248 CE LYS A 16 106.491 -17.780 5.297 1.00 0.00 C ATOM 249 NZ LYS A 16 107.751 -18.455 5.715 1.00 0.00 N ATOM 0 H LYS A 16 103.629 -14.454 4.303 1.00 0.00 H new ATOM 0 HA LYS A 16 102.704 -14.668 6.989 1.00 0.00 H new ATOM 0 HB2 LYS A 16 105.484 -13.835 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 16 105.058 -14.642 7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 16 104.123 -16.574 6.148 1.00 0.00 H new ATOM 0 HG3 LYS A 16 104.807 -15.788 4.739 1.00 0.00 H new ATOM 0 HD2 LYS A 16 107.075 -15.798 5.933 1.00 0.00 H new ATOM 0 HD3 LYS A 16 106.343 -16.764 7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 16 105.645 -18.456 5.421 1.00 0.00 H new ATOM 0 HE3 LYS A 16 106.539 -17.520 4.239 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 107.892 -19.312 5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 108.554 -17.809 5.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 107.688 -18.716 6.720 1.00 0.00 H new ATOM 263 N PHE A 17 103.544 -11.669 5.956 1.00 0.00 N ATOM 264 CA PHE A 17 103.465 -10.235 6.328 1.00 0.00 C ATOM 265 C PHE A 17 102.001 -9.857 6.501 1.00 0.00 C ATOM 266 O PHE A 17 101.554 -9.498 7.574 1.00 0.00 O ATOM 267 CB PHE A 17 104.080 -9.411 5.203 1.00 0.00 C ATOM 268 CG PHE A 17 103.876 -7.943 5.465 1.00 0.00 C ATOM 269 CD1 PHE A 17 104.808 -7.249 6.231 1.00 0.00 C ATOM 270 CD2 PHE A 17 102.767 -7.275 4.931 1.00 0.00 C ATOM 271 CE1 PHE A 17 104.642 -5.883 6.473 1.00 0.00 C ATOM 272 CE2 PHE A 17 102.595 -5.906 5.173 1.00 0.00 C ATOM 273 CZ PHE A 17 103.534 -5.210 5.944 1.00 0.00 C ATOM 0 H PHE A 17 103.818 -11.852 4.991 1.00 0.00 H new ATOM 0 HA PHE A 17 104.002 -10.046 7.258 1.00 0.00 H new ATOM 0 HB2 PHE A 17 105.145 -9.629 5.122 1.00 0.00 H new ATOM 0 HB3 PHE A 17 103.625 -9.685 4.251 1.00 0.00 H new ATOM 0 HD1 PHE A 17 105.662 -7.768 6.640 1.00 0.00 H new ATOM 0 HD2 PHE A 17 102.046 -7.814 4.334 1.00 0.00 H new ATOM 0 HE1 PHE A 17 105.367 -5.347 7.067 1.00 0.00 H new ATOM 0 HE2 PHE A 17 101.739 -5.388 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 17 103.404 -4.154 6.131 1.00 0.00 H new ATOM 283 N MET A 18 101.251 -9.950 5.445 1.00 0.00 N ATOM 284 CA MET A 18 99.804 -9.612 5.524 1.00 0.00 C ATOM 285 C MET A 18 99.147 -10.453 6.620 1.00 0.00 C ATOM 286 O MET A 18 98.113 -10.101 7.150 1.00 0.00 O ATOM 287 CB MET A 18 99.136 -9.911 4.181 1.00 0.00 C ATOM 288 CG MET A 18 99.788 -9.064 3.086 1.00 0.00 C ATOM 289 SD MET A 18 99.531 -7.309 3.448 1.00 0.00 S ATOM 290 CE MET A 18 100.134 -6.663 1.869 1.00 0.00 C ATOM 0 H MET A 18 101.577 -10.247 4.525 1.00 0.00 H new ATOM 0 HA MET A 18 99.688 -8.554 5.758 1.00 0.00 H new ATOM 0 HB2 MET A 18 99.233 -10.970 3.942 1.00 0.00 H new ATOM 0 HB3 MET A 18 98.069 -9.693 4.237 1.00 0.00 H new ATOM 0 HG2 MET A 18 100.854 -9.282 3.029 1.00 0.00 H new ATOM 0 HG3 MET A 18 99.359 -9.313 2.115 1.00 0.00 H new ATOM 0 HE1 MET A 18 99.872 -5.608 1.783 1.00 0.00 H new ATOM 0 HE2 MET A 18 101.217 -6.773 1.821 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.676 -7.218 1.050 1.00 0.00 H new ATOM 300 N GLU A 19 99.739 -11.565 6.968 1.00 0.00 N ATOM 301 CA GLU A 19 99.141 -12.417 8.033 1.00 0.00 C ATOM 302 C GLU A 19 99.473 -11.823 9.399 1.00 0.00 C ATOM 303 O GLU A 19 98.693 -11.905 10.328 1.00 0.00 O ATOM 304 CB GLU A 19 99.712 -13.833 7.933 1.00 0.00 C ATOM 305 CG GLU A 19 99.208 -14.671 9.110 1.00 0.00 C ATOM 306 CD GLU A 19 99.283 -16.156 8.749 1.00 0.00 C ATOM 307 OE1 GLU A 19 98.615 -16.940 9.403 1.00 0.00 O ATOM 308 OE2 GLU A 19 100.008 -16.484 7.824 1.00 0.00 O ATOM 0 H GLU A 19 100.606 -11.917 6.562 1.00 0.00 H new ATOM 0 HA GLU A 19 98.059 -12.456 7.908 1.00 0.00 H new ATOM 0 HB2 GLU A 19 99.412 -14.292 6.991 1.00 0.00 H new ATOM 0 HB3 GLU A 19 100.801 -13.798 7.938 1.00 0.00 H new ATOM 0 HG2 GLU A 19 99.810 -14.471 9.997 1.00 0.00 H new ATOM 0 HG3 GLU A 19 98.181 -14.396 9.352 1.00 0.00 H new ATOM 315 N LYS A 20 100.623 -11.223 9.532 1.00 0.00 N ATOM 316 CA LYS A 20 101.001 -10.625 10.839 1.00 0.00 C ATOM 317 C LYS A 20 100.106 -9.421 11.126 1.00 0.00 C ATOM 318 O LYS A 20 99.645 -9.229 12.233 1.00 0.00 O ATOM 319 CB LYS A 20 102.464 -10.182 10.793 1.00 0.00 C ATOM 320 CG LYS A 20 103.367 -11.417 10.791 1.00 0.00 C ATOM 321 CD LYS A 20 103.624 -11.866 12.231 1.00 0.00 C ATOM 322 CE LYS A 20 104.531 -13.098 12.232 1.00 0.00 C ATOM 323 NZ LYS A 20 105.955 -12.666 12.312 1.00 0.00 N ATOM 0 H LYS A 20 101.316 -11.122 8.791 1.00 0.00 H new ATOM 0 HA LYS A 20 100.874 -11.365 11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 20 102.646 -9.583 9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.692 -9.552 11.653 1.00 0.00 H new ATOM 0 HG2 LYS A 20 102.898 -12.223 10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 20 104.311 -11.189 10.296 1.00 0.00 H new ATOM 0 HD2 LYS A 20 104.090 -11.059 12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.680 -12.097 12.724 1.00 0.00 H new ATOM 0 HE2 LYS A 20 104.287 -13.742 13.077 1.00 0.00 H new ATOM 0 HE3 LYS A 20 104.368 -13.684 11.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 106.487 -13.077 11.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 106.006 -11.628 12.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 106.366 -12.991 13.210 1.00 0.00 H new ATOM 337 N MET A 21 99.849 -8.609 10.139 1.00 0.00 N ATOM 338 CA MET A 21 98.973 -7.427 10.373 1.00 0.00 C ATOM 339 C MET A 21 97.555 -7.912 10.676 1.00 0.00 C ATOM 340 O MET A 21 96.686 -7.142 11.033 1.00 0.00 O ATOM 341 CB MET A 21 98.955 -6.529 9.130 1.00 0.00 C ATOM 342 CG MET A 21 100.150 -6.855 8.235 1.00 0.00 C ATOM 343 SD MET A 21 100.203 -5.686 6.855 1.00 0.00 S ATOM 344 CE MET A 21 100.512 -4.201 7.838 1.00 0.00 C ATOM 0 H MET A 21 100.204 -8.711 9.188 1.00 0.00 H new ATOM 0 HA MET A 21 99.357 -6.852 11.215 1.00 0.00 H new ATOM 0 HB2 MET A 21 98.026 -6.675 8.579 1.00 0.00 H new ATOM 0 HB3 MET A 21 98.988 -5.481 9.427 1.00 0.00 H new ATOM 0 HG2 MET A 21 101.075 -6.799 8.809 1.00 0.00 H new ATOM 0 HG3 MET A 21 100.070 -7.875 7.859 1.00 0.00 H new ATOM 0 HE1 MET A 21 99.626 -3.566 7.827 1.00 0.00 H new ATOM 0 HE2 MET A 21 100.741 -4.486 8.865 1.00 0.00 H new ATOM 0 HE3 MET A 21 101.355 -3.654 7.416 1.00 0.00 H new ATOM 354 N GLY A 22 97.314 -9.189 10.536 1.00 0.00 N ATOM 355 CA GLY A 22 95.951 -9.724 10.813 1.00 0.00 C ATOM 356 C GLY A 22 95.025 -9.383 9.646 1.00 0.00 C ATOM 357 O GLY A 22 93.828 -9.262 9.806 1.00 0.00 O ATOM 0 H GLY A 22 98.002 -9.883 10.242 1.00 0.00 H new ATOM 0 HA2 GLY A 22 95.994 -10.804 10.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 95.562 -9.297 11.737 1.00 0.00 H new ATOM 361 N VAL A 23 95.573 -9.225 8.472 1.00 0.00 N ATOM 362 CA VAL A 23 94.725 -8.889 7.294 1.00 0.00 C ATOM 363 C VAL A 23 93.801 -10.067 6.979 1.00 0.00 C ATOM 364 O VAL A 23 94.246 -11.172 6.740 1.00 0.00 O ATOM 365 CB VAL A 23 95.623 -8.607 6.087 1.00 0.00 C ATOM 366 CG1 VAL A 23 94.763 -8.152 4.907 1.00 0.00 C ATOM 367 CG2 VAL A 23 96.628 -7.505 6.442 1.00 0.00 C ATOM 0 H VAL A 23 96.570 -9.314 8.278 1.00 0.00 H new ATOM 0 HA VAL A 23 94.125 -8.007 7.516 1.00 0.00 H new ATOM 0 HB VAL A 23 96.162 -9.515 5.816 1.00 0.00 H new ATOM 0 HG11 VAL A 23 95.402 -7.951 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 23 94.049 -8.936 4.653 1.00 0.00 H new ATOM 0 HG13 VAL A 23 94.224 -7.244 5.178 1.00 0.00 H new ATOM 0 HG21 VAL A 23 97.267 -7.305 5.582 1.00 0.00 H new ATOM 0 HG22 VAL A 23 96.091 -6.597 6.714 1.00 0.00 H new ATOM 0 HG23 VAL A 23 97.242 -7.829 7.282 1.00 0.00 H new ATOM 377 N ASN A 24 92.515 -9.841 6.978 1.00 0.00 N ATOM 378 CA ASN A 24 91.564 -10.948 6.678 1.00 0.00 C ATOM 379 C ASN A 24 92.085 -11.758 5.489 1.00 0.00 C ATOM 380 O ASN A 24 93.005 -11.351 4.806 1.00 0.00 O ATOM 381 CB ASN A 24 90.191 -10.365 6.335 1.00 0.00 C ATOM 382 CG ASN A 24 89.766 -9.385 7.429 1.00 0.00 C ATOM 383 OD1 ASN A 24 90.587 -8.678 7.981 1.00 0.00 O ATOM 384 ND2 ASN A 24 88.508 -9.312 7.770 1.00 0.00 N ATOM 0 H ASN A 24 92.083 -8.938 7.172 1.00 0.00 H new ATOM 0 HA ASN A 24 91.475 -11.596 7.550 1.00 0.00 H new ATOM 0 HB2 ASN A 24 90.230 -9.857 5.372 1.00 0.00 H new ATOM 0 HB3 ASN A 24 89.457 -11.165 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 24 88.214 -8.662 8.499 1.00 0.00 H new ATOM 0 HD22 ASN A 24 87.819 -9.905 7.307 1.00 0.00 H new ATOM 391 N ILE A 25 91.510 -12.901 5.235 1.00 0.00 N ATOM 392 CA ILE A 25 91.980 -13.729 4.089 1.00 0.00 C ATOM 393 C ILE A 25 91.409 -13.164 2.796 1.00 0.00 C ATOM 394 O ILE A 25 91.683 -13.633 1.709 1.00 0.00 O ATOM 395 CB ILE A 25 91.521 -15.176 4.286 1.00 0.00 C ATOM 396 CG1 ILE A 25 92.555 -15.931 5.132 1.00 0.00 C ATOM 397 CG2 ILE A 25 91.364 -15.866 2.928 1.00 0.00 C ATOM 398 CD1 ILE A 25 93.724 -16.383 4.251 1.00 0.00 C ATOM 0 H ILE A 25 90.737 -13.297 5.770 1.00 0.00 H new ATOM 0 HA ILE A 25 93.069 -13.709 4.036 1.00 0.00 H new ATOM 0 HB ILE A 25 90.559 -15.179 4.799 1.00 0.00 H new ATOM 0 HG12 ILE A 25 92.920 -15.289 5.933 1.00 0.00 H new ATOM 0 HG13 ILE A 25 92.089 -16.796 5.604 1.00 0.00 H new ATOM 0 HG21 ILE A 25 91.037 -16.895 3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 25 90.623 -15.333 2.333 1.00 0.00 H new ATOM 0 HG23 ILE A 25 92.320 -15.862 2.405 1.00 0.00 H new ATOM 0 HD11 ILE A 25 94.453 -16.918 4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 25 93.354 -17.042 3.465 1.00 0.00 H new ATOM 0 HD13 ILE A 25 94.198 -15.511 3.800 1.00 0.00 H new ATOM 410 N VAL A 26 90.629 -12.149 2.921 1.00 0.00 N ATOM 411 CA VAL A 26 90.021 -11.509 1.723 1.00 0.00 C ATOM 412 C VAL A 26 91.024 -10.530 1.119 1.00 0.00 C ATOM 413 O VAL A 26 91.437 -10.666 -0.016 1.00 0.00 O ATOM 414 CB VAL A 26 88.751 -10.760 2.129 1.00 0.00 C ATOM 415 CG1 VAL A 26 87.960 -10.379 0.877 1.00 0.00 C ATOM 416 CG2 VAL A 26 87.892 -11.659 3.021 1.00 0.00 C ATOM 0 H VAL A 26 90.376 -11.721 3.812 1.00 0.00 H new ATOM 0 HA VAL A 26 89.765 -12.272 0.988 1.00 0.00 H new ATOM 0 HB VAL A 26 89.022 -9.857 2.676 1.00 0.00 H new ATOM 0 HG11 VAL A 26 87.055 -9.845 1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 26 88.571 -9.738 0.241 1.00 0.00 H new ATOM 0 HG13 VAL A 26 87.689 -11.282 0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 26 86.987 -11.126 3.311 1.00 0.00 H new ATOM 0 HG22 VAL A 26 87.622 -12.562 2.474 1.00 0.00 H new ATOM 0 HG23 VAL A 26 88.455 -11.930 3.914 1.00 0.00 H new ATOM 426 N LYS A 27 91.427 -9.552 1.874 1.00 0.00 N ATOM 427 CA LYS A 27 92.415 -8.570 1.352 1.00 0.00 C ATOM 428 C LYS A 27 93.711 -9.312 1.031 1.00 0.00 C ATOM 429 O LYS A 27 94.441 -8.950 0.129 1.00 0.00 O ATOM 430 CB LYS A 27 92.683 -7.497 2.412 1.00 0.00 C ATOM 431 CG LYS A 27 91.786 -6.284 2.154 1.00 0.00 C ATOM 432 CD LYS A 27 90.318 -6.705 2.249 1.00 0.00 C ATOM 433 CE LYS A 27 89.428 -5.461 2.239 1.00 0.00 C ATOM 434 NZ LYS A 27 89.766 -4.618 1.057 1.00 0.00 N ATOM 0 H LYS A 27 91.116 -9.388 2.831 1.00 0.00 H new ATOM 0 HA LYS A 27 92.027 -8.089 0.454 1.00 0.00 H new ATOM 0 HB2 LYS A 27 92.491 -7.899 3.407 1.00 0.00 H new ATOM 0 HB3 LYS A 27 93.731 -7.199 2.385 1.00 0.00 H new ATOM 0 HG2 LYS A 27 91.998 -5.500 2.881 1.00 0.00 H new ATOM 0 HG3 LYS A 27 91.993 -5.868 1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 27 90.061 -7.356 1.413 1.00 0.00 H new ATOM 0 HD3 LYS A 27 90.151 -7.277 3.162 1.00 0.00 H new ATOM 0 HE2 LYS A 27 88.378 -5.752 2.203 1.00 0.00 H new ATOM 0 HE3 LYS A 27 89.570 -4.892 3.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 88.974 -3.976 0.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 90.620 -4.061 1.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 89.940 -5.229 0.233 1.00 0.00 H new ATOM 448 N ARG A 28 93.995 -10.355 1.761 1.00 0.00 N ATOM 449 CA ARG A 28 95.238 -11.134 1.500 1.00 0.00 C ATOM 450 C ARG A 28 95.097 -11.874 0.170 1.00 0.00 C ATOM 451 O ARG A 28 95.992 -11.869 -0.651 1.00 0.00 O ATOM 452 CB ARG A 28 95.451 -12.145 2.628 1.00 0.00 C ATOM 453 CG ARG A 28 96.861 -12.732 2.528 1.00 0.00 C ATOM 454 CD ARG A 28 96.998 -13.905 3.500 1.00 0.00 C ATOM 455 NE ARG A 28 96.542 -15.158 2.835 1.00 0.00 N ATOM 456 CZ ARG A 28 96.953 -16.315 3.273 1.00 0.00 C ATOM 457 NH1 ARG A 28 96.557 -17.412 2.688 1.00 0.00 N ATOM 458 NH2 ARG A 28 97.762 -16.376 4.295 1.00 0.00 N ATOM 0 H ARG A 28 93.419 -10.702 2.528 1.00 0.00 H new ATOM 0 HA ARG A 28 96.092 -10.459 1.454 1.00 0.00 H new ATOM 0 HB2 ARG A 28 95.315 -11.661 3.595 1.00 0.00 H new ATOM 0 HB3 ARG A 28 94.709 -12.941 2.563 1.00 0.00 H new ATOM 0 HG2 ARG A 28 97.055 -13.066 1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 28 97.602 -11.967 2.759 1.00 0.00 H new ATOM 0 HD2 ARG A 28 98.035 -14.007 3.819 1.00 0.00 H new ATOM 0 HD3 ARG A 28 96.405 -13.720 4.396 1.00 0.00 H new ATOM 0 HE ARG A 28 95.908 -15.110 2.037 1.00 0.00 H new ATOM 0 HH11 ARG A 28 95.926 -17.364 1.888 1.00 0.00 H new ATOM 0 HH12 ARG A 28 96.879 -18.317 3.031 1.00 0.00 H new ATOM 0 HH21 ARG A 28 98.073 -15.518 4.751 1.00 0.00 H new ATOM 0 HH22 ARG A 28 98.083 -17.281 4.638 1.00 0.00 H new ATOM 472 N LYS A 29 93.977 -12.509 -0.051 1.00 0.00 N ATOM 473 CA LYS A 29 93.782 -13.243 -1.332 1.00 0.00 C ATOM 474 C LYS A 29 93.957 -12.273 -2.501 1.00 0.00 C ATOM 475 O LYS A 29 94.494 -12.618 -3.534 1.00 0.00 O ATOM 476 CB LYS A 29 92.374 -13.842 -1.370 1.00 0.00 C ATOM 477 CG LYS A 29 92.290 -14.884 -2.487 1.00 0.00 C ATOM 478 CD LYS A 29 92.760 -16.241 -1.960 1.00 0.00 C ATOM 479 CE LYS A 29 92.533 -17.311 -3.029 1.00 0.00 C ATOM 480 NZ LYS A 29 91.070 -17.510 -3.229 1.00 0.00 N ATOM 0 H LYS A 29 93.192 -12.550 0.599 1.00 0.00 H new ATOM 0 HA LYS A 29 94.517 -14.045 -1.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 92.138 -14.302 -0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 29 91.638 -13.056 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 29 91.266 -14.959 -2.851 1.00 0.00 H new ATOM 0 HG3 LYS A 29 92.907 -14.577 -3.331 1.00 0.00 H new ATOM 0 HD2 LYS A 29 93.817 -16.194 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 29 92.216 -16.498 -1.051 1.00 0.00 H new ATOM 0 HE2 LYS A 29 93.001 -17.009 -3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 29 93.000 -18.248 -2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 90.902 -18.441 -3.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 90.584 -17.463 -2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 90.701 -16.766 -3.854 1.00 0.00 H new ATOM 494 N LEU A 30 93.505 -11.059 -2.344 1.00 0.00 N ATOM 495 CA LEU A 30 93.644 -10.064 -3.443 1.00 0.00 C ATOM 496 C LEU A 30 94.997 -9.379 -3.345 1.00 0.00 C ATOM 497 O LEU A 30 95.443 -8.701 -4.249 1.00 0.00 O ATOM 498 CB LEU A 30 92.526 -9.023 -3.349 1.00 0.00 C ATOM 499 CG LEU A 30 91.174 -9.700 -3.580 1.00 0.00 C ATOM 500 CD1 LEU A 30 90.050 -8.684 -3.359 1.00 0.00 C ATOM 501 CD2 LEU A 30 91.106 -10.231 -5.015 1.00 0.00 C ATOM 0 H LEU A 30 93.045 -10.714 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 30 93.570 -10.577 -4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 30 92.542 -8.545 -2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 30 92.683 -8.239 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 30 91.059 -10.528 -2.881 1.00 0.00 H new ATOM 0 HD11 LEU A 30 89.086 -9.166 -3.524 1.00 0.00 H new ATOM 0 HD12 LEU A 30 90.097 -8.306 -2.338 1.00 0.00 H new ATOM 0 HD13 LEU A 30 90.165 -7.856 -4.058 1.00 0.00 H new ATOM 0 HD21 LEU A 30 90.142 -10.713 -5.179 1.00 0.00 H new ATOM 0 HD22 LEU A 30 91.222 -9.404 -5.715 1.00 0.00 H new ATOM 0 HD23 LEU A 30 91.906 -10.955 -5.173 1.00 0.00 H new ATOM 513 N ALA A 31 95.644 -9.561 -2.247 1.00 0.00 N ATOM 514 CA ALA A 31 96.981 -8.935 -2.041 1.00 0.00 C ATOM 515 C ALA A 31 98.012 -9.626 -2.935 1.00 0.00 C ATOM 516 O ALA A 31 98.791 -8.984 -3.611 1.00 0.00 O ATOM 517 CB ALA A 31 97.398 -9.085 -0.577 1.00 0.00 C ATOM 0 H ALA A 31 95.308 -10.123 -1.465 1.00 0.00 H new ATOM 0 HA ALA A 31 96.927 -7.877 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 31 98.376 -8.627 -0.428 1.00 0.00 H new ATOM 0 HB2 ALA A 31 96.665 -8.592 0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 31 97.450 -10.143 -0.320 1.00 0.00 H new ATOM 523 N ALA A 32 98.025 -10.931 -2.941 1.00 0.00 N ATOM 524 CA ALA A 32 99.008 -11.663 -3.789 1.00 0.00 C ATOM 525 C ALA A 32 99.120 -10.974 -5.151 1.00 0.00 C ATOM 526 O ALA A 32 100.101 -11.120 -5.852 1.00 0.00 O ATOM 527 CB ALA A 32 98.540 -13.106 -3.984 1.00 0.00 C ATOM 0 H ALA A 32 97.398 -11.522 -2.395 1.00 0.00 H new ATOM 0 HA ALA A 32 99.982 -11.661 -3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 32 99.259 -13.641 -4.604 1.00 0.00 H new ATOM 0 HB2 ALA A 32 98.461 -13.597 -3.014 1.00 0.00 H new ATOM 0 HB3 ALA A 32 97.566 -13.110 -4.473 1.00 0.00 H new ATOM 533 N HIS A 33 98.123 -10.221 -5.529 1.00 0.00 N ATOM 534 CA HIS A 33 98.176 -9.521 -6.843 1.00 0.00 C ATOM 535 C HIS A 33 99.239 -8.423 -6.788 1.00 0.00 C ATOM 536 O HIS A 33 99.077 -7.360 -7.354 1.00 0.00 O ATOM 537 CB HIS A 33 96.812 -8.898 -7.145 1.00 0.00 C ATOM 538 CG HIS A 33 96.825 -8.303 -8.527 1.00 0.00 C ATOM 539 ND1 HIS A 33 97.011 -7.017 -8.971 1.00 0.00 N flip ATOM 540 CD2 HIS A 33 96.630 -9.073 -9.666 1.00 0.00 C flip ATOM 541 CE1 HIS A 33 96.932 -6.990 -10.358 1.00 0.00 C flip ATOM 542 NE2 HIS A 33 96.702 -8.250 -10.729 1.00 0.00 N flip ATOM 0 H HIS A 33 97.275 -10.061 -4.985 1.00 0.00 H new ATOM 0 HA HIS A 33 98.429 -10.234 -7.627 1.00 0.00 H new ATOM 0 HB2 HIS A 33 96.031 -9.654 -7.071 1.00 0.00 H new ATOM 0 HB3 HIS A 33 96.581 -8.128 -6.409 1.00 0.00 H new ATOM 0 HD2 HIS A 33 96.453 -10.138 -9.694 1.00 0.00 H new ATOM 0 HE1 HIS A 33 97.035 -6.129 -11.001 1.00 0.00 H new ATOM 0 HE2 HIS A 33 96.594 -8.552 -11.697 1.00 0.00 H new ATOM 550 N ASP A 34 100.324 -8.671 -6.107 1.00 0.00 N ATOM 551 CA ASP A 34 101.397 -7.643 -6.011 1.00 0.00 C ATOM 552 C ASP A 34 101.767 -7.154 -7.413 1.00 0.00 C ATOM 553 O ASP A 34 102.693 -7.642 -8.027 1.00 0.00 O ATOM 554 CB ASP A 34 102.631 -8.254 -5.339 1.00 0.00 C ATOM 555 CG ASP A 34 102.188 -9.323 -4.338 1.00 0.00 C ATOM 556 OD1 ASP A 34 101.228 -9.079 -3.626 1.00 0.00 O ATOM 557 OD2 ASP A 34 102.816 -10.368 -4.301 1.00 0.00 O ATOM 0 H ASP A 34 100.513 -9.543 -5.612 1.00 0.00 H new ATOM 0 HA ASP A 34 101.040 -6.801 -5.418 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.288 -8.693 -6.090 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.203 -7.478 -4.830 1.00 0.00 H new ATOM 562 N ASN A 35 101.049 -6.191 -7.923 1.00 0.00 N ATOM 563 CA ASN A 35 101.358 -5.666 -9.281 1.00 0.00 C ATOM 564 C ASN A 35 101.009 -4.174 -9.332 1.00 0.00 C ATOM 565 O ASN A 35 100.433 -3.692 -10.287 1.00 0.00 O ATOM 566 CB ASN A 35 100.533 -6.437 -10.323 1.00 0.00 C ATOM 567 CG ASN A 35 101.472 -7.198 -11.263 1.00 0.00 C ATOM 568 OD1 ASN A 35 102.531 -6.712 -11.607 1.00 0.00 O ATOM 569 ND2 ASN A 35 101.125 -8.380 -11.695 1.00 0.00 N ATOM 0 H ASN A 35 100.260 -5.745 -7.456 1.00 0.00 H new ATOM 0 HA ASN A 35 102.418 -5.795 -9.500 1.00 0.00 H new ATOM 0 HB2 ASN A 35 99.859 -7.133 -9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 35 99.913 -5.746 -10.894 1.00 0.00 H new ATOM 0 HD21 ASN A 35 101.743 -8.896 -12.321 1.00 0.00 H new ATOM 0 HD22 ASN A 35 100.236 -8.788 -11.406 1.00 0.00 H new ATOM 576 N LEU A 36 101.341 -3.440 -8.304 1.00 0.00 N ATOM 577 CA LEU A 36 101.012 -1.988 -8.291 1.00 0.00 C ATOM 578 C LEU A 36 102.155 -1.175 -8.903 1.00 0.00 C ATOM 579 O LEU A 36 103.276 -1.637 -9.019 1.00 0.00 O ATOM 580 CB LEU A 36 100.765 -1.527 -6.847 1.00 0.00 C ATOM 581 CG LEU A 36 102.091 -1.452 -6.074 1.00 0.00 C ATOM 582 CD1 LEU A 36 102.043 -0.284 -5.086 1.00 0.00 C ATOM 583 CD2 LEU A 36 102.312 -2.757 -5.303 1.00 0.00 C ATOM 0 H LEU A 36 101.825 -3.784 -7.475 1.00 0.00 H new ATOM 0 HA LEU A 36 100.112 -1.828 -8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 36 100.282 -0.550 -6.848 1.00 0.00 H new ATOM 0 HB3 LEU A 36 100.085 -2.218 -6.349 1.00 0.00 H new ATOM 0 HG LEU A 36 102.909 -1.302 -6.778 1.00 0.00 H new ATOM 0 HD11 LEU A 36 102.984 -0.232 -4.538 1.00 0.00 H new ATOM 0 HD12 LEU A 36 101.888 0.647 -5.631 1.00 0.00 H new ATOM 0 HD13 LEU A 36 101.223 -0.435 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 36 103.253 -2.701 -4.756 1.00 0.00 H new ATOM 0 HD22 LEU A 36 101.492 -2.908 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 36 102.348 -3.592 -6.003 1.00 0.00 H new ATOM 595 N LYS A 37 101.872 0.043 -9.280 1.00 0.00 N ATOM 596 CA LYS A 37 102.922 0.917 -9.875 1.00 0.00 C ATOM 597 C LYS A 37 103.286 2.002 -8.863 1.00 0.00 C ATOM 598 O LYS A 37 102.447 2.476 -8.122 1.00 0.00 O ATOM 599 CB LYS A 37 102.372 1.568 -11.147 1.00 0.00 C ATOM 600 CG LYS A 37 103.525 2.091 -12.015 1.00 0.00 C ATOM 601 CD LYS A 37 103.253 1.753 -13.483 1.00 0.00 C ATOM 602 CE LYS A 37 104.125 2.631 -14.381 1.00 0.00 C ATOM 603 NZ LYS A 37 103.688 2.481 -15.797 1.00 0.00 N ATOM 0 H LYS A 37 100.950 0.473 -9.200 1.00 0.00 H new ATOM 0 HA LYS A 37 103.806 0.329 -10.122 1.00 0.00 H new ATOM 0 HB2 LYS A 37 101.783 0.844 -11.710 1.00 0.00 H new ATOM 0 HB3 LYS A 37 101.703 2.388 -10.885 1.00 0.00 H new ATOM 0 HG2 LYS A 37 103.627 3.169 -11.892 1.00 0.00 H new ATOM 0 HG3 LYS A 37 104.466 1.643 -11.696 1.00 0.00 H new ATOM 0 HD2 LYS A 37 103.465 0.700 -13.670 1.00 0.00 H new ATOM 0 HD3 LYS A 37 102.200 1.912 -13.714 1.00 0.00 H new ATOM 0 HE2 LYS A 37 104.048 3.674 -14.074 1.00 0.00 H new ATOM 0 HE3 LYS A 37 105.172 2.346 -14.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 103.980 3.318 -16.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 104.126 1.632 -16.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 102.653 2.388 -15.833 1.00 0.00 H new ATOM 617 N LEU A 38 104.527 2.399 -8.816 1.00 0.00 N ATOM 618 CA LEU A 38 104.930 3.450 -7.840 1.00 0.00 C ATOM 619 C LEU A 38 105.893 4.436 -8.499 1.00 0.00 C ATOM 620 O LEU A 38 106.934 4.060 -9.003 1.00 0.00 O ATOM 621 CB LEU A 38 105.622 2.800 -6.637 1.00 0.00 C ATOM 622 CG LEU A 38 104.964 1.453 -6.325 1.00 0.00 C ATOM 623 CD1 LEU A 38 105.553 0.365 -7.232 1.00 0.00 C ATOM 624 CD2 LEU A 38 105.221 1.093 -4.859 1.00 0.00 C ATOM 0 H LEU A 38 105.277 2.043 -9.408 1.00 0.00 H new ATOM 0 HA LEU A 38 104.038 3.982 -7.509 1.00 0.00 H new ATOM 0 HB2 LEU A 38 106.682 2.657 -6.849 1.00 0.00 H new ATOM 0 HB3 LEU A 38 105.556 3.457 -5.770 1.00 0.00 H new ATOM 0 HG LEU A 38 103.891 1.524 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 38 105.082 -0.591 -7.006 1.00 0.00 H new ATOM 0 HD12 LEU A 38 105.370 0.622 -8.275 1.00 0.00 H new ATOM 0 HD13 LEU A 38 106.627 0.290 -7.060 1.00 0.00 H new ATOM 0 HD21 LEU A 38 104.754 0.134 -4.632 1.00 0.00 H new ATOM 0 HD22 LEU A 38 106.295 1.024 -4.684 1.00 0.00 H new ATOM 0 HD23 LEU A 38 104.797 1.864 -4.215 1.00 0.00 H new ATOM 636 N THR A 39 105.562 5.697 -8.484 1.00 0.00 N ATOM 637 CA THR A 39 106.467 6.710 -9.091 1.00 0.00 C ATOM 638 C THR A 39 107.291 7.352 -7.976 1.00 0.00 C ATOM 639 O THR A 39 106.798 8.159 -7.212 1.00 0.00 O ATOM 640 CB THR A 39 105.636 7.783 -9.804 1.00 0.00 C ATOM 641 OG1 THR A 39 104.412 7.215 -10.245 1.00 0.00 O ATOM 642 CG2 THR A 39 106.415 8.320 -11.007 1.00 0.00 C ATOM 0 H THR A 39 104.704 6.069 -8.077 1.00 0.00 H new ATOM 0 HA THR A 39 107.127 6.236 -9.817 1.00 0.00 H new ATOM 0 HB THR A 39 105.430 8.601 -9.114 1.00 0.00 H new ATOM 0 HG1 THR A 39 103.879 7.900 -10.700 1.00 0.00 H new ATOM 0 HG21 THR A 39 105.823 9.083 -11.513 1.00 0.00 H new ATOM 0 HG22 THR A 39 107.354 8.756 -10.667 1.00 0.00 H new ATOM 0 HG23 THR A 39 106.623 7.504 -11.699 1.00 0.00 H new ATOM 650 N ILE A 40 108.538 6.992 -7.865 1.00 0.00 N ATOM 651 CA ILE A 40 109.384 7.573 -6.786 1.00 0.00 C ATOM 652 C ILE A 40 110.211 8.733 -7.340 1.00 0.00 C ATOM 653 O ILE A 40 110.903 8.598 -8.330 1.00 0.00 O ATOM 654 CB ILE A 40 110.325 6.498 -6.238 1.00 0.00 C ATOM 655 CG1 ILE A 40 109.606 5.141 -6.221 1.00 0.00 C ATOM 656 CG2 ILE A 40 110.747 6.871 -4.815 1.00 0.00 C ATOM 657 CD1 ILE A 40 110.029 4.320 -7.442 1.00 0.00 C ATOM 0 H ILE A 40 109.008 6.322 -8.473 1.00 0.00 H new ATOM 0 HA ILE A 40 108.739 7.939 -5.987 1.00 0.00 H new ATOM 0 HB ILE A 40 111.207 6.430 -6.875 1.00 0.00 H new ATOM 0 HG12 ILE A 40 109.848 4.601 -5.306 1.00 0.00 H new ATOM 0 HG13 ILE A 40 108.526 5.290 -6.227 1.00 0.00 H new ATOM 0 HG21 ILE A 40 111.418 6.107 -4.422 1.00 0.00 H new ATOM 0 HG22 ILE A 40 111.261 7.832 -4.828 1.00 0.00 H new ATOM 0 HG23 ILE A 40 109.864 6.940 -4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 40 109.518 3.357 -7.428 1.00 0.00 H new ATOM 0 HD12 ILE A 40 109.764 4.858 -8.352 1.00 0.00 H new ATOM 0 HD13 ILE A 40 111.107 4.159 -7.416 1.00 0.00 H new ATOM 669 N THR A 41 110.149 9.869 -6.699 1.00 0.00 N ATOM 670 CA THR A 41 110.932 11.039 -7.166 1.00 0.00 C ATOM 671 C THR A 41 111.721 11.600 -5.984 1.00 0.00 C ATOM 672 O THR A 41 111.321 11.471 -4.844 1.00 0.00 O ATOM 673 CB THR A 41 109.983 12.112 -7.699 1.00 0.00 C ATOM 674 OG1 THR A 41 108.868 11.488 -8.321 1.00 0.00 O ATOM 675 CG2 THR A 41 110.716 12.985 -8.718 1.00 0.00 C ATOM 0 H THR A 41 109.584 10.033 -5.866 1.00 0.00 H new ATOM 0 HA THR A 41 111.613 10.737 -7.962 1.00 0.00 H new ATOM 0 HB THR A 41 109.638 12.735 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 41 108.257 12.174 -8.662 1.00 0.00 H new ATOM 0 HG21 THR A 41 110.038 13.749 -9.097 1.00 0.00 H new ATOM 0 HG22 THR A 41 111.571 13.463 -8.239 1.00 0.00 H new ATOM 0 HG23 THR A 41 111.063 12.366 -9.545 1.00 0.00 H new ATOM 683 N GLN A 42 112.840 12.216 -6.239 1.00 0.00 N ATOM 684 CA GLN A 42 113.649 12.777 -5.121 1.00 0.00 C ATOM 685 C GLN A 42 114.018 14.228 -5.433 1.00 0.00 C ATOM 686 O GLN A 42 114.283 14.579 -6.565 1.00 0.00 O ATOM 687 CB GLN A 42 114.928 11.954 -4.952 1.00 0.00 C ATOM 688 CG GLN A 42 115.756 12.024 -6.237 1.00 0.00 C ATOM 689 CD GLN A 42 116.997 11.140 -6.095 1.00 0.00 C ATOM 690 OE1 GLN A 42 116.907 9.931 -6.168 1.00 0.00 O ATOM 691 NE2 GLN A 42 118.160 11.697 -5.892 1.00 0.00 N ATOM 0 H GLN A 42 113.230 12.356 -7.171 1.00 0.00 H new ATOM 0 HA GLN A 42 113.067 12.740 -4.200 1.00 0.00 H new ATOM 0 HB2 GLN A 42 115.509 12.334 -4.112 1.00 0.00 H new ATOM 0 HB3 GLN A 42 114.678 10.918 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 42 115.157 11.694 -7.086 1.00 0.00 H new ATOM 0 HG3 GLN A 42 116.051 13.054 -6.436 1.00 0.00 H new ATOM 0 HE21 GLN A 42 118.235 12.712 -5.831 1.00 0.00 H new ATOM 0 HE22 GLN A 42 118.993 11.117 -5.795 1.00 0.00 H new ATOM 700 N GLU A 43 114.040 15.076 -4.439 1.00 0.00 N ATOM 701 CA GLU A 43 114.395 16.500 -4.688 1.00 0.00 C ATOM 702 C GLU A 43 115.307 17.005 -3.569 1.00 0.00 C ATOM 703 O GLU A 43 114.878 17.693 -2.664 1.00 0.00 O ATOM 704 CB GLU A 43 113.121 17.347 -4.731 1.00 0.00 C ATOM 705 CG GLU A 43 112.120 16.718 -5.705 1.00 0.00 C ATOM 706 CD GLU A 43 111.254 17.814 -6.328 1.00 0.00 C ATOM 707 OE1 GLU A 43 111.727 18.469 -7.242 1.00 0.00 O ATOM 708 OE2 GLU A 43 110.130 17.979 -5.881 1.00 0.00 O ATOM 0 H GLU A 43 113.828 14.843 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 43 114.915 16.580 -5.643 1.00 0.00 H new ATOM 0 HB2 GLU A 43 112.683 17.414 -3.735 1.00 0.00 H new ATOM 0 HB3 GLU A 43 113.358 18.364 -5.044 1.00 0.00 H new ATOM 0 HG2 GLU A 43 112.650 16.172 -6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 43 111.492 15.997 -5.182 1.00 0.00 H new ATOM 715 N GLY A 44 116.569 16.677 -3.632 1.00 0.00 N ATOM 716 CA GLY A 44 117.521 17.142 -2.585 1.00 0.00 C ATOM 717 C GLY A 44 117.040 16.714 -1.195 1.00 0.00 C ATOM 718 O GLY A 44 117.494 15.729 -0.649 1.00 0.00 O ATOM 0 H GLY A 44 116.983 16.104 -4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 44 118.512 16.729 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 44 117.614 18.227 -2.626 1.00 0.00 H new ATOM 722 N ASN A 45 116.140 17.460 -0.610 1.00 0.00 N ATOM 723 CA ASN A 45 115.648 17.112 0.756 1.00 0.00 C ATOM 724 C ASN A 45 114.124 16.985 0.752 1.00 0.00 C ATOM 725 O ASN A 45 113.472 17.203 1.754 1.00 0.00 O ATOM 726 CB ASN A 45 116.068 18.203 1.743 1.00 0.00 C ATOM 727 CG ASN A 45 115.587 19.564 1.238 1.00 0.00 C ATOM 728 OD1 ASN A 45 114.840 19.623 0.170 1.00 0.00 O flip ATOM 729 ND2 ASN A 45 115.896 20.585 1.820 1.00 0.00 N flip ATOM 0 H ASN A 45 115.724 18.296 -1.020 1.00 0.00 H new ATOM 0 HA ASN A 45 116.082 16.158 1.057 1.00 0.00 H new ATOM 0 HB2 ASN A 45 115.646 17.999 2.727 1.00 0.00 H new ATOM 0 HB3 ASN A 45 117.152 18.208 1.856 1.00 0.00 H new ATOM 0 HD21 ASN A 45 116.480 20.539 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 45 115.571 21.488 1.474 1.00 0.00 H new ATOM 736 N LYS A 46 113.552 16.625 -0.359 1.00 0.00 N ATOM 737 CA LYS A 46 112.092 16.472 -0.428 1.00 0.00 C ATOM 738 C LYS A 46 111.788 15.380 -1.446 1.00 0.00 C ATOM 739 O LYS A 46 111.979 15.539 -2.635 1.00 0.00 O ATOM 740 CB LYS A 46 111.468 17.795 -0.875 1.00 0.00 C ATOM 741 CG LYS A 46 110.003 17.572 -1.255 1.00 0.00 C ATOM 742 CD LYS A 46 109.823 17.751 -2.765 1.00 0.00 C ATOM 743 CE LYS A 46 108.333 17.724 -3.113 1.00 0.00 C ATOM 744 NZ LYS A 46 108.098 18.520 -4.351 1.00 0.00 N ATOM 0 H LYS A 46 114.048 16.430 -1.229 1.00 0.00 H new ATOM 0 HA LYS A 46 111.681 16.203 0.545 1.00 0.00 H new ATOM 0 HB2 LYS A 46 111.538 18.530 -0.073 1.00 0.00 H new ATOM 0 HB3 LYS A 46 112.017 18.198 -1.726 1.00 0.00 H new ATOM 0 HG2 LYS A 46 109.690 16.571 -0.959 1.00 0.00 H new ATOM 0 HG3 LYS A 46 109.368 18.277 -0.718 1.00 0.00 H new ATOM 0 HD2 LYS A 46 110.264 18.695 -3.084 1.00 0.00 H new ATOM 0 HD3 LYS A 46 110.346 16.958 -3.300 1.00 0.00 H new ATOM 0 HE2 LYS A 46 108.001 16.696 -3.260 1.00 0.00 H new ATOM 0 HE3 LYS A 46 107.748 18.132 -2.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 107.091 18.474 -4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 108.368 19.510 -4.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 108.671 18.132 -5.127 1.00 0.00 H new ATOM 758 N PHE A 47 111.329 14.269 -0.974 1.00 0.00 N ATOM 759 CA PHE A 47 111.012 13.134 -1.883 1.00 0.00 C ATOM 760 C PHE A 47 109.516 13.126 -2.196 1.00 0.00 C ATOM 761 O PHE A 47 108.748 13.875 -1.625 1.00 0.00 O ATOM 762 CB PHE A 47 111.402 11.821 -1.204 1.00 0.00 C ATOM 763 CG PHE A 47 112.855 11.520 -1.482 1.00 0.00 C ATOM 764 CD1 PHE A 47 113.842 12.441 -1.115 1.00 0.00 C ATOM 765 CD2 PHE A 47 113.215 10.319 -2.106 1.00 0.00 C ATOM 766 CE1 PHE A 47 115.190 12.163 -1.372 1.00 0.00 C ATOM 767 CE2 PHE A 47 114.562 10.041 -2.363 1.00 0.00 C ATOM 768 CZ PHE A 47 115.550 10.962 -1.996 1.00 0.00 C ATOM 0 H PHE A 47 111.155 14.089 0.015 1.00 0.00 H new ATOM 0 HA PHE A 47 111.570 13.245 -2.813 1.00 0.00 H new ATOM 0 HB2 PHE A 47 111.234 11.892 -0.129 1.00 0.00 H new ATOM 0 HB3 PHE A 47 110.775 11.009 -1.572 1.00 0.00 H new ATOM 0 HD1 PHE A 47 113.564 13.367 -0.633 1.00 0.00 H new ATOM 0 HD2 PHE A 47 112.453 9.608 -2.389 1.00 0.00 H new ATOM 0 HE1 PHE A 47 115.952 12.874 -1.089 1.00 0.00 H new ATOM 0 HE2 PHE A 47 114.840 9.115 -2.845 1.00 0.00 H new ATOM 0 HZ PHE A 47 116.590 10.747 -2.194 1.00 0.00 H new ATOM 778 N THR A 48 109.096 12.278 -3.096 1.00 0.00 N ATOM 779 CA THR A 48 107.658 12.218 -3.444 1.00 0.00 C ATOM 780 C THR A 48 107.337 10.824 -3.971 1.00 0.00 C ATOM 781 O THR A 48 107.659 10.477 -5.091 1.00 0.00 O ATOM 782 CB THR A 48 107.353 13.252 -4.528 1.00 0.00 C ATOM 783 OG1 THR A 48 107.677 14.549 -4.047 1.00 0.00 O ATOM 784 CG2 THR A 48 105.868 13.196 -4.889 1.00 0.00 C ATOM 0 H THR A 48 109.693 11.625 -3.603 1.00 0.00 H new ATOM 0 HA THR A 48 107.054 12.431 -2.562 1.00 0.00 H new ATOM 0 HB THR A 48 107.947 13.033 -5.415 1.00 0.00 H new ATOM 0 HG1 THR A 48 107.484 15.213 -4.741 1.00 0.00 H new ATOM 0 HG21 THR A 48 105.653 13.934 -5.662 1.00 0.00 H new ATOM 0 HG22 THR A 48 105.621 12.201 -5.259 1.00 0.00 H new ATOM 0 HG23 THR A 48 105.270 13.413 -4.004 1.00 0.00 H new ATOM 792 N VAL A 49 106.703 10.023 -3.171 1.00 0.00 N ATOM 793 CA VAL A 49 106.353 8.647 -3.613 1.00 0.00 C ATOM 794 C VAL A 49 104.890 8.613 -4.057 1.00 0.00 C ATOM 795 O VAL A 49 103.988 8.839 -3.273 1.00 0.00 O ATOM 796 CB VAL A 49 106.561 7.665 -2.459 1.00 0.00 C ATOM 797 CG1 VAL A 49 106.439 6.232 -2.979 1.00 0.00 C ATOM 798 CG2 VAL A 49 107.955 7.873 -1.862 1.00 0.00 C ATOM 0 H VAL A 49 106.409 10.261 -2.224 1.00 0.00 H new ATOM 0 HA VAL A 49 106.994 8.361 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 49 105.805 7.838 -1.693 1.00 0.00 H new ATOM 0 HG11 VAL A 49 106.587 5.533 -2.156 1.00 0.00 H new ATOM 0 HG12 VAL A 49 105.448 6.084 -3.407 1.00 0.00 H new ATOM 0 HG13 VAL A 49 107.195 6.057 -3.745 1.00 0.00 H new ATOM 0 HG21 VAL A 49 108.106 7.174 -1.039 1.00 0.00 H new ATOM 0 HG22 VAL A 49 108.709 7.699 -2.629 1.00 0.00 H new ATOM 0 HG23 VAL A 49 108.044 8.894 -1.492 1.00 0.00 H new ATOM 808 N LYS A 50 104.647 8.334 -5.309 1.00 0.00 N ATOM 809 CA LYS A 50 103.242 8.288 -5.804 1.00 0.00 C ATOM 810 C LYS A 50 102.855 6.842 -6.118 1.00 0.00 C ATOM 811 O LYS A 50 103.196 6.310 -7.156 1.00 0.00 O ATOM 812 CB LYS A 50 103.119 9.135 -7.073 1.00 0.00 C ATOM 813 CG LYS A 50 101.642 9.412 -7.362 1.00 0.00 C ATOM 814 CD LYS A 50 101.525 10.504 -8.428 1.00 0.00 C ATOM 815 CE LYS A 50 100.076 10.603 -8.904 1.00 0.00 C ATOM 816 NZ LYS A 50 100.035 11.273 -10.235 1.00 0.00 N ATOM 0 H LYS A 50 105.361 8.136 -6.010 1.00 0.00 H new ATOM 0 HA LYS A 50 102.576 8.683 -5.037 1.00 0.00 H new ATOM 0 HB2 LYS A 50 103.659 10.074 -6.950 1.00 0.00 H new ATOM 0 HB3 LYS A 50 103.574 8.614 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 50 101.151 8.501 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 50 101.135 9.724 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 50 101.850 11.461 -8.020 1.00 0.00 H new ATOM 0 HD3 LYS A 50 102.180 10.277 -9.269 1.00 0.00 H new ATOM 0 HE2 LYS A 50 99.636 9.608 -8.972 1.00 0.00 H new ATOM 0 HE3 LYS A 50 99.483 11.166 -8.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 99.049 11.341 -10.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 100.440 12.228 -10.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 100.588 10.719 -10.920 1.00 0.00 H new ATOM 830 N GLU A 51 102.138 6.204 -5.234 1.00 0.00 N ATOM 831 CA GLU A 51 101.724 4.796 -5.489 1.00 0.00 C ATOM 832 C GLU A 51 100.553 4.790 -6.471 1.00 0.00 C ATOM 833 O GLU A 51 99.838 5.765 -6.600 1.00 0.00 O ATOM 834 CB GLU A 51 101.293 4.144 -4.173 1.00 0.00 C ATOM 835 CG GLU A 51 102.451 4.194 -3.175 1.00 0.00 C ATOM 836 CD GLU A 51 101.904 4.079 -1.752 1.00 0.00 C ATOM 837 OE1 GLU A 51 101.558 2.977 -1.357 1.00 0.00 O ATOM 838 OE2 GLU A 51 101.838 5.095 -1.079 1.00 0.00 O ATOM 0 H GLU A 51 101.821 6.597 -4.347 1.00 0.00 H new ATOM 0 HA GLU A 51 102.559 4.237 -5.910 1.00 0.00 H new ATOM 0 HB2 GLU A 51 100.425 4.662 -3.765 1.00 0.00 H new ATOM 0 HB3 GLU A 51 100.994 3.110 -4.348 1.00 0.00 H new ATOM 0 HG2 GLU A 51 103.151 3.383 -3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 51 103.003 5.127 -3.289 1.00 0.00 H new ATOM 845 N SER A 52 100.337 3.701 -7.157 1.00 0.00 N ATOM 846 CA SER A 52 99.210 3.643 -8.110 1.00 0.00 C ATOM 847 C SER A 52 98.833 2.187 -8.339 1.00 0.00 C ATOM 848 O SER A 52 99.518 1.442 -9.010 1.00 0.00 O ATOM 849 CB SER A 52 99.625 4.285 -9.433 1.00 0.00 C ATOM 850 OG SER A 52 100.662 5.228 -9.191 1.00 0.00 O ATOM 0 H SER A 52 100.897 2.851 -7.093 1.00 0.00 H new ATOM 0 HA SER A 52 98.354 4.184 -7.706 1.00 0.00 H new ATOM 0 HB2 SER A 52 99.968 3.520 -10.130 1.00 0.00 H new ATOM 0 HB3 SER A 52 98.770 4.778 -9.896 1.00 0.00 H new ATOM 0 HG SER A 52 100.932 5.641 -10.037 1.00 0.00 H new ATOM 856 N SER A 53 97.732 1.794 -7.785 1.00 0.00 N ATOM 857 CA SER A 53 97.252 0.400 -7.947 1.00 0.00 C ATOM 858 C SER A 53 95.771 0.441 -8.324 1.00 0.00 C ATOM 859 O SER A 53 95.030 1.290 -7.868 1.00 0.00 O ATOM 860 CB SER A 53 97.432 -0.361 -6.630 1.00 0.00 C ATOM 861 OG SER A 53 97.967 0.520 -5.649 1.00 0.00 O ATOM 0 H SER A 53 97.131 2.389 -7.215 1.00 0.00 H new ATOM 0 HA SER A 53 97.821 -0.107 -8.726 1.00 0.00 H new ATOM 0 HB2 SER A 53 96.475 -0.761 -6.294 1.00 0.00 H new ATOM 0 HB3 SER A 53 98.099 -1.211 -6.775 1.00 0.00 H new ATOM 0 HG SER A 53 98.634 0.044 -5.111 1.00 0.00 H new ATOM 867 N ALA A 54 95.328 -0.462 -9.150 1.00 0.00 N ATOM 868 CA ALA A 54 93.893 -0.460 -9.548 1.00 0.00 C ATOM 869 C ALA A 54 93.012 -0.541 -8.298 1.00 0.00 C ATOM 870 O ALA A 54 91.811 -0.708 -8.386 1.00 0.00 O ATOM 871 CB ALA A 54 93.612 -1.666 -10.447 1.00 0.00 C ATOM 0 H ALA A 54 95.895 -1.200 -9.567 1.00 0.00 H new ATOM 0 HA ALA A 54 93.670 0.459 -10.089 1.00 0.00 H new ATOM 0 HB1 ALA A 54 92.562 -1.665 -10.739 1.00 0.00 H new ATOM 0 HB2 ALA A 54 94.236 -1.609 -11.339 1.00 0.00 H new ATOM 0 HB3 ALA A 54 93.837 -2.584 -9.905 1.00 0.00 H new ATOM 877 N PHE A 55 93.598 -0.441 -7.133 1.00 0.00 N ATOM 878 CA PHE A 55 92.791 -0.531 -5.885 1.00 0.00 C ATOM 879 C PHE A 55 92.674 0.840 -5.204 1.00 0.00 C ATOM 880 O PHE A 55 91.750 1.075 -4.453 1.00 0.00 O ATOM 881 CB PHE A 55 93.460 -1.515 -4.922 1.00 0.00 C ATOM 882 CG PHE A 55 92.664 -1.584 -3.642 1.00 0.00 C ATOM 883 CD1 PHE A 55 93.087 -0.870 -2.514 1.00 0.00 C ATOM 884 CD2 PHE A 55 91.500 -2.362 -3.582 1.00 0.00 C ATOM 885 CE1 PHE A 55 92.348 -0.934 -1.327 1.00 0.00 C ATOM 886 CE2 PHE A 55 90.762 -2.425 -2.395 1.00 0.00 C ATOM 887 CZ PHE A 55 91.185 -1.711 -1.267 1.00 0.00 C ATOM 0 H PHE A 55 94.599 -0.301 -6.994 1.00 0.00 H new ATOM 0 HA PHE A 55 91.790 -0.875 -6.145 1.00 0.00 H new ATOM 0 HB2 PHE A 55 93.521 -2.503 -5.379 1.00 0.00 H new ATOM 0 HB3 PHE A 55 94.481 -1.197 -4.711 1.00 0.00 H new ATOM 0 HD1 PHE A 55 93.984 -0.270 -2.560 1.00 0.00 H new ATOM 0 HD2 PHE A 55 91.173 -2.913 -4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 55 92.675 -0.384 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 55 89.865 -3.025 -2.349 1.00 0.00 H new ATOM 0 HZ PHE A 55 90.614 -1.760 -0.351 1.00 0.00 H new ATOM 897 N ARG A 56 93.592 1.743 -5.447 1.00 0.00 N ATOM 898 CA ARG A 56 93.510 3.081 -4.795 1.00 0.00 C ATOM 899 C ARG A 56 94.882 3.749 -4.856 1.00 0.00 C ATOM 900 O ARG A 56 95.690 3.620 -3.958 1.00 0.00 O ATOM 901 CB ARG A 56 93.083 2.930 -3.328 1.00 0.00 C ATOM 902 CG ARG A 56 91.619 3.351 -3.166 1.00 0.00 C ATOM 903 CD ARG A 56 91.546 4.860 -2.921 1.00 0.00 C ATOM 904 NE ARG A 56 90.233 5.379 -3.397 1.00 0.00 N ATOM 905 CZ ARG A 56 90.051 6.662 -3.540 1.00 0.00 C ATOM 906 NH1 ARG A 56 88.901 7.117 -3.957 1.00 0.00 N ATOM 907 NH2 ARG A 56 91.020 7.493 -3.265 1.00 0.00 N ATOM 0 H ARG A 56 94.391 1.610 -6.067 1.00 0.00 H new ATOM 0 HA ARG A 56 92.773 3.691 -5.317 1.00 0.00 H new ATOM 0 HB2 ARG A 56 93.211 1.896 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 56 93.720 3.543 -2.690 1.00 0.00 H new ATOM 0 HG2 ARG A 56 91.053 3.089 -4.060 1.00 0.00 H new ATOM 0 HG3 ARG A 56 91.165 2.814 -2.333 1.00 0.00 H new ATOM 0 HD2 ARG A 56 91.670 5.073 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 56 92.359 5.364 -3.444 1.00 0.00 H new ATOM 0 HE ARG A 56 89.476 4.730 -3.611 1.00 0.00 H new ATOM 0 HH11 ARG A 56 88.143 6.469 -4.171 1.00 0.00 H new ATOM 0 HH12 ARG A 56 88.760 8.121 -4.068 1.00 0.00 H new ATOM 0 HH21 ARG A 56 91.919 7.138 -2.938 1.00 0.00 H new ATOM 0 HH22 ARG A 56 90.878 8.497 -3.377 1.00 0.00 H new ATOM 921 N ASN A 57 95.151 4.456 -5.912 1.00 0.00 N ATOM 922 CA ASN A 57 96.472 5.130 -6.044 1.00 0.00 C ATOM 923 C ASN A 57 96.640 6.163 -4.927 1.00 0.00 C ATOM 924 O ASN A 57 95.696 6.810 -4.518 1.00 0.00 O ATOM 925 CB ASN A 57 96.550 5.835 -7.401 1.00 0.00 C ATOM 926 CG ASN A 57 95.493 6.938 -7.464 1.00 0.00 C ATOM 927 OD1 ASN A 57 94.316 6.678 -7.312 1.00 0.00 O ATOM 928 ND2 ASN A 57 95.865 8.170 -7.682 1.00 0.00 N ATOM 0 H ASN A 57 94.512 4.598 -6.694 1.00 0.00 H new ATOM 0 HA ASN A 57 97.265 4.385 -5.970 1.00 0.00 H new ATOM 0 HB2 ASN A 57 97.543 6.260 -7.545 1.00 0.00 H new ATOM 0 HB3 ASN A 57 96.390 5.117 -8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 57 95.168 8.913 -7.725 1.00 0.00 H new ATOM 0 HD22 ASN A 57 96.853 8.389 -7.810 1.00 0.00 H new ATOM 935 N ILE A 58 97.837 6.312 -4.424 1.00 0.00 N ATOM 936 CA ILE A 58 98.074 7.289 -3.329 1.00 0.00 C ATOM 937 C ILE A 58 99.325 8.112 -3.619 1.00 0.00 C ATOM 938 O ILE A 58 100.052 7.862 -4.561 1.00 0.00 O ATOM 939 CB ILE A 58 98.279 6.558 -2.011 1.00 0.00 C ATOM 940 CG1 ILE A 58 97.437 5.286 -1.989 1.00 0.00 C ATOM 941 CG2 ILE A 58 97.860 7.465 -0.848 1.00 0.00 C ATOM 942 CD1 ILE A 58 97.313 4.811 -0.545 1.00 0.00 C ATOM 0 H ILE A 58 98.662 5.795 -4.728 1.00 0.00 H new ATOM 0 HA ILE A 58 97.204 7.943 -3.263 1.00 0.00 H new ATOM 0 HB ILE A 58 99.332 6.296 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 58 96.450 5.478 -2.410 1.00 0.00 H new ATOM 0 HG13 ILE A 58 97.901 4.514 -2.603 1.00 0.00 H new ATOM 0 HG21 ILE A 58 98.008 6.939 0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 58 98.466 8.371 -0.857 1.00 0.00 H new ATOM 0 HG23 ILE A 58 96.808 7.731 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 58 96.713 3.901 -0.511 1.00 0.00 H new ATOM 0 HD12 ILE A 58 98.305 4.606 -0.143 1.00 0.00 H new ATOM 0 HD13 ILE A 58 96.832 5.585 0.053 1.00 0.00 H new ATOM 954 N GLU A 59 99.575 9.089 -2.801 1.00 0.00 N ATOM 955 CA GLU A 59 100.776 9.949 -2.993 1.00 0.00 C ATOM 956 C GLU A 59 101.146 10.608 -1.665 1.00 0.00 C ATOM 957 O GLU A 59 100.291 10.983 -0.888 1.00 0.00 O ATOM 958 CB GLU A 59 100.469 11.025 -4.037 1.00 0.00 C ATOM 959 CG GLU A 59 99.729 12.191 -3.377 1.00 0.00 C ATOM 960 CD GLU A 59 98.938 12.959 -4.437 1.00 0.00 C ATOM 961 OE1 GLU A 59 98.982 14.178 -4.414 1.00 0.00 O ATOM 962 OE2 GLU A 59 98.300 12.315 -5.254 1.00 0.00 O ATOM 0 H GLU A 59 98.995 9.334 -1.999 1.00 0.00 H new ATOM 0 HA GLU A 59 101.612 9.340 -3.338 1.00 0.00 H new ATOM 0 HB2 GLU A 59 101.395 11.380 -4.490 1.00 0.00 H new ATOM 0 HB3 GLU A 59 99.862 10.604 -4.839 1.00 0.00 H new ATOM 0 HG2 GLU A 59 99.056 11.818 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 59 100.440 12.856 -2.886 1.00 0.00 H new ATOM 969 N CYS A 60 102.413 10.752 -1.396 1.00 0.00 N ATOM 970 CA CYS A 60 102.825 11.388 -0.115 1.00 0.00 C ATOM 971 C CYS A 60 104.293 11.817 -0.189 1.00 0.00 C ATOM 972 O CYS A 60 105.167 11.038 -0.529 1.00 0.00 O ATOM 973 CB CYS A 60 102.638 10.392 1.035 1.00 0.00 C ATOM 974 SG CYS A 60 103.961 9.156 0.997 1.00 0.00 S ATOM 0 H CYS A 60 103.177 10.459 -2.004 1.00 0.00 H new ATOM 0 HA CYS A 60 102.207 12.268 0.060 1.00 0.00 H new ATOM 0 HB2 CYS A 60 102.647 10.919 1.989 1.00 0.00 H new ATOM 0 HB3 CYS A 60 101.668 9.902 0.950 1.00 0.00 H new ATOM 980 N VAL A 61 104.567 13.054 0.129 1.00 0.00 N ATOM 981 CA VAL A 61 105.966 13.545 0.090 1.00 0.00 C ATOM 982 C VAL A 61 106.668 13.154 1.383 1.00 0.00 C ATOM 983 O VAL A 61 106.039 12.866 2.380 1.00 0.00 O ATOM 984 CB VAL A 61 105.959 15.065 -0.055 1.00 0.00 C ATOM 985 CG1 VAL A 61 104.760 15.645 0.699 1.00 0.00 C ATOM 986 CG2 VAL A 61 107.252 15.658 0.516 1.00 0.00 C ATOM 0 H VAL A 61 103.874 13.746 0.415 1.00 0.00 H new ATOM 0 HA VAL A 61 106.493 13.103 -0.756 1.00 0.00 H new ATOM 0 HB VAL A 61 105.888 15.318 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 61 104.755 16.730 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 61 103.838 15.237 0.285 1.00 0.00 H new ATOM 0 HG13 VAL A 61 104.832 15.382 1.754 1.00 0.00 H new ATOM 0 HG21 VAL A 61 107.234 16.742 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 61 107.335 15.401 1.572 1.00 0.00 H new ATOM 0 HG23 VAL A 61 108.108 15.253 -0.024 1.00 0.00 H new ATOM 996 N PHE A 62 107.969 13.146 1.380 1.00 0.00 N ATOM 997 CA PHE A 62 108.694 12.772 2.626 1.00 0.00 C ATOM 998 C PHE A 62 110.105 13.363 2.622 1.00 0.00 C ATOM 999 O PHE A 62 110.831 13.269 1.651 1.00 0.00 O ATOM 1000 CB PHE A 62 108.751 11.242 2.751 1.00 0.00 C ATOM 1001 CG PHE A 62 110.035 10.700 2.161 1.00 0.00 C ATOM 1002 CD1 PHE A 62 111.250 10.882 2.832 1.00 0.00 C ATOM 1003 CD2 PHE A 62 110.004 10.002 0.947 1.00 0.00 C ATOM 1004 CE1 PHE A 62 112.434 10.371 2.289 1.00 0.00 C ATOM 1005 CE2 PHE A 62 111.189 9.492 0.403 1.00 0.00 C ATOM 1006 CZ PHE A 62 112.404 9.674 1.074 1.00 0.00 C ATOM 0 H PHE A 62 108.558 13.379 0.580 1.00 0.00 H new ATOM 0 HA PHE A 62 108.159 13.178 3.484 1.00 0.00 H new ATOM 0 HB2 PHE A 62 108.679 10.956 3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 62 107.896 10.799 2.240 1.00 0.00 H new ATOM 0 HD1 PHE A 62 111.274 11.417 3.770 1.00 0.00 H new ATOM 0 HD2 PHE A 62 109.066 9.857 0.431 1.00 0.00 H new ATOM 0 HE1 PHE A 62 113.371 10.514 2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 62 111.166 8.958 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 62 113.317 9.278 0.656 1.00 0.00 H new ATOM 1016 N GLU A 63 110.499 13.964 3.713 1.00 0.00 N ATOM 1017 CA GLU A 63 111.861 14.558 3.798 1.00 0.00 C ATOM 1018 C GLU A 63 112.740 13.665 4.675 1.00 0.00 C ATOM 1019 O GLU A 63 112.259 12.767 5.338 1.00 0.00 O ATOM 1020 CB GLU A 63 111.768 15.956 4.417 1.00 0.00 C ATOM 1021 CG GLU A 63 113.176 16.514 4.638 1.00 0.00 C ATOM 1022 CD GLU A 63 113.110 18.039 4.737 1.00 0.00 C ATOM 1023 OE1 GLU A 63 112.992 18.536 5.845 1.00 0.00 O ATOM 1024 OE2 GLU A 63 113.179 18.685 3.704 1.00 0.00 O ATOM 0 H GLU A 63 109.931 14.069 4.553 1.00 0.00 H new ATOM 0 HA GLU A 63 112.295 14.634 2.801 1.00 0.00 H new ATOM 0 HB2 GLU A 63 111.202 16.618 3.762 1.00 0.00 H new ATOM 0 HB3 GLU A 63 111.231 15.910 5.364 1.00 0.00 H new ATOM 0 HG2 GLU A 63 113.605 16.098 5.550 1.00 0.00 H new ATOM 0 HG3 GLU A 63 113.829 16.220 3.816 1.00 0.00 H new ATOM 1031 N LEU A 64 114.023 13.895 4.682 1.00 0.00 N ATOM 1032 CA LEU A 64 114.924 13.050 5.512 1.00 0.00 C ATOM 1033 C LEU A 64 115.051 13.641 6.918 1.00 0.00 C ATOM 1034 O LEU A 64 115.459 14.771 7.093 1.00 0.00 O ATOM 1035 CB LEU A 64 116.306 12.991 4.860 1.00 0.00 C ATOM 1036 CG LEU A 64 116.221 12.208 3.549 1.00 0.00 C ATOM 1037 CD1 LEU A 64 117.310 12.697 2.591 1.00 0.00 C ATOM 1038 CD2 LEU A 64 116.423 10.717 3.832 1.00 0.00 C ATOM 0 H LEU A 64 114.486 14.631 4.149 1.00 0.00 H new ATOM 0 HA LEU A 64 114.506 12.046 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 64 116.673 14.000 4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 64 117.018 12.515 5.534 1.00 0.00 H new ATOM 0 HG LEU A 64 115.242 12.363 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 64 117.250 12.139 1.656 1.00 0.00 H new ATOM 0 HD12 LEU A 64 117.168 13.759 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 64 118.289 12.542 3.044 1.00 0.00 H new ATOM 0 HD21 LEU A 64 116.363 10.158 2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 64 117.402 10.562 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 64 115.648 10.368 4.515 1.00 0.00 H new ATOM 1050 N GLY A 65 114.716 12.877 7.923 1.00 0.00 N ATOM 1051 CA GLY A 65 114.830 13.387 9.320 1.00 0.00 C ATOM 1052 C GLY A 65 113.574 14.174 9.701 1.00 0.00 C ATOM 1053 O GLY A 65 113.623 15.089 10.499 1.00 0.00 O ATOM 0 H GLY A 65 114.368 11.922 7.837 1.00 0.00 H new ATOM 0 HA2 GLY A 65 114.968 12.554 10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 65 115.709 14.025 9.411 1.00 0.00 H new ATOM 1057 N VAL A 66 112.446 13.826 9.145 1.00 0.00 N ATOM 1058 CA VAL A 66 111.194 14.555 9.487 1.00 0.00 C ATOM 1059 C VAL A 66 110.022 13.572 9.505 1.00 0.00 C ATOM 1060 O VAL A 66 109.522 13.173 8.473 1.00 0.00 O ATOM 1061 CB VAL A 66 110.934 15.643 8.443 1.00 0.00 C ATOM 1062 CG1 VAL A 66 109.752 16.506 8.887 1.00 0.00 C ATOM 1063 CG2 VAL A 66 112.180 16.519 8.301 1.00 0.00 C ATOM 0 H VAL A 66 112.338 13.069 8.470 1.00 0.00 H new ATOM 0 HA VAL A 66 111.298 15.015 10.470 1.00 0.00 H new ATOM 0 HB VAL A 66 110.703 15.179 7.484 1.00 0.00 H new ATOM 0 HG11 VAL A 66 109.567 17.281 8.143 1.00 0.00 H new ATOM 0 HG12 VAL A 66 108.864 15.882 8.989 1.00 0.00 H new ATOM 0 HG13 VAL A 66 109.981 16.971 9.846 1.00 0.00 H new ATOM 0 HG21 VAL A 66 111.997 17.295 7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 66 112.410 16.983 9.260 1.00 0.00 H new ATOM 0 HG23 VAL A 66 113.023 15.905 7.984 1.00 0.00 H new ATOM 1073 N THR A 67 109.580 13.176 10.667 1.00 0.00 N ATOM 1074 CA THR A 67 108.443 12.217 10.740 1.00 0.00 C ATOM 1075 C THR A 67 107.324 12.672 9.820 1.00 0.00 C ATOM 1076 O THR A 67 107.066 13.845 9.639 1.00 0.00 O ATOM 1077 CB THR A 67 107.906 12.139 12.164 1.00 0.00 C ATOM 1078 OG1 THR A 67 108.985 12.204 13.086 1.00 0.00 O ATOM 1079 CG2 THR A 67 107.146 10.822 12.347 1.00 0.00 C ATOM 0 H THR A 67 109.956 13.474 11.567 1.00 0.00 H new ATOM 0 HA THR A 67 108.802 11.235 10.432 1.00 0.00 H new ATOM 0 HB THR A 67 107.231 12.975 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 67 108.637 12.155 14.001 1.00 0.00 H new ATOM 0 HG21 THR A 67 106.760 10.763 13.365 1.00 0.00 H new ATOM 0 HG22 THR A 67 106.316 10.780 11.642 1.00 0.00 H new ATOM 0 HG23 THR A 67 107.820 9.985 12.165 1.00 0.00 H new ATOM 1087 N PHE A 68 106.654 11.725 9.260 1.00 0.00 N ATOM 1088 CA PHE A 68 105.516 12.011 8.353 1.00 0.00 C ATOM 1089 C PHE A 68 104.764 10.706 8.172 1.00 0.00 C ATOM 1090 O PHE A 68 104.967 9.767 8.914 1.00 0.00 O ATOM 1091 CB PHE A 68 105.989 12.585 7.009 1.00 0.00 C ATOM 1092 CG PHE A 68 106.204 11.488 5.996 1.00 0.00 C ATOM 1093 CD1 PHE A 68 106.942 10.367 6.349 1.00 0.00 C ATOM 1094 CD2 PHE A 68 105.699 11.617 4.697 1.00 0.00 C ATOM 1095 CE1 PHE A 68 107.186 9.357 5.410 1.00 0.00 C ATOM 1096 CE2 PHE A 68 105.930 10.606 3.756 1.00 0.00 C ATOM 1097 CZ PHE A 68 106.676 9.476 4.112 1.00 0.00 C ATOM 0 H PHE A 68 106.849 10.733 9.393 1.00 0.00 H new ATOM 0 HA PHE A 68 104.866 12.773 8.782 1.00 0.00 H new ATOM 0 HB2 PHE A 68 105.251 13.293 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 68 106.917 13.139 7.153 1.00 0.00 H new ATOM 0 HD1 PHE A 68 107.330 10.273 7.353 1.00 0.00 H new ATOM 0 HD2 PHE A 68 105.133 12.494 4.421 1.00 0.00 H new ATOM 0 HE1 PHE A 68 107.766 8.489 5.687 1.00 0.00 H new ATOM 0 HE2 PHE A 68 105.533 10.698 2.756 1.00 0.00 H new ATOM 0 HZ PHE A 68 106.858 8.697 3.386 1.00 0.00 H new ATOM 1107 N ASN A 69 103.882 10.628 7.236 1.00 0.00 N ATOM 1108 CA ASN A 69 103.116 9.368 7.084 1.00 0.00 C ATOM 1109 C ASN A 69 102.752 9.098 5.633 1.00 0.00 C ATOM 1110 O ASN A 69 102.681 9.985 4.805 1.00 0.00 O ATOM 1111 CB ASN A 69 101.836 9.460 7.914 1.00 0.00 C ATOM 1112 CG ASN A 69 100.989 10.634 7.416 1.00 0.00 C ATOM 1113 OD1 ASN A 69 101.505 11.480 6.567 1.00 0.00 O flip ATOM 1114 ND2 ASN A 69 99.849 10.782 7.804 1.00 0.00 N flip ATOM 0 H ASN A 69 103.655 11.369 6.573 1.00 0.00 H new ATOM 0 HA ASN A 69 103.744 8.547 7.430 1.00 0.00 H new ATOM 0 HB2 ASN A 69 101.271 8.531 7.836 1.00 0.00 H new ATOM 0 HB3 ASN A 69 102.082 9.596 8.967 1.00 0.00 H new ATOM 0 HD21 ASN A 69 99.446 10.120 8.468 1.00 0.00 H new ATOM 0 HD22 ASN A 69 99.293 11.568 7.467 1.00 0.00 H new ATOM 1121 N CYS A 70 102.501 7.856 5.343 1.00 0.00 N ATOM 1122 CA CYS A 70 102.109 7.449 3.973 1.00 0.00 C ATOM 1123 C CYS A 70 101.213 6.221 4.103 1.00 0.00 C ATOM 1124 O CYS A 70 101.470 5.343 4.904 1.00 0.00 O ATOM 1125 CB CYS A 70 103.356 7.109 3.150 1.00 0.00 C ATOM 1126 SG CYS A 70 103.022 7.411 1.396 1.00 0.00 S ATOM 0 H CYS A 70 102.553 7.090 6.014 1.00 0.00 H new ATOM 0 HA CYS A 70 101.582 8.257 3.466 1.00 0.00 H new ATOM 0 HB2 CYS A 70 104.199 7.715 3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 70 103.633 6.066 3.304 1.00 0.00 H new ATOM 1132 N ASN A 71 100.151 6.155 3.354 1.00 0.00 N ATOM 1133 CA ASN A 71 99.245 4.982 3.481 1.00 0.00 C ATOM 1134 C ASN A 71 99.549 3.961 2.388 1.00 0.00 C ATOM 1135 O ASN A 71 99.973 4.300 1.301 1.00 0.00 O ATOM 1136 CB ASN A 71 97.787 5.442 3.373 1.00 0.00 C ATOM 1137 CG ASN A 71 97.718 6.779 2.633 1.00 0.00 C ATOM 1138 OD1 ASN A 71 98.477 7.685 2.916 1.00 0.00 O ATOM 1139 ND2 ASN A 71 96.831 6.943 1.690 1.00 0.00 N ATOM 0 H ASN A 71 99.872 6.854 2.666 1.00 0.00 H new ATOM 0 HA ASN A 71 99.404 4.514 4.453 1.00 0.00 H new ATOM 0 HB2 ASN A 71 97.198 4.693 2.844 1.00 0.00 H new ATOM 0 HB3 ASN A 71 97.354 5.544 4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 71 96.775 7.831 1.191 1.00 0.00 H new ATOM 0 HD22 ASN A 71 96.194 6.183 1.452 1.00 0.00 H new ATOM 1146 N LEU A 72 99.334 2.707 2.676 1.00 0.00 N ATOM 1147 CA LEU A 72 99.607 1.650 1.663 1.00 0.00 C ATOM 1148 C LEU A 72 98.308 1.284 0.942 1.00 0.00 C ATOM 1149 O LEU A 72 97.237 1.313 1.518 1.00 0.00 O ATOM 1150 CB LEU A 72 100.171 0.409 2.359 1.00 0.00 C ATOM 1151 CG LEU A 72 101.328 0.815 3.273 1.00 0.00 C ATOM 1152 CD1 LEU A 72 101.730 -0.374 4.147 1.00 0.00 C ATOM 1153 CD2 LEU A 72 102.524 1.249 2.420 1.00 0.00 C ATOM 0 H LEU A 72 98.980 2.369 3.571 1.00 0.00 H new ATOM 0 HA LEU A 72 100.332 2.021 0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 72 99.390 -0.081 2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 72 100.516 -0.311 1.617 1.00 0.00 H new ATOM 0 HG LEU A 72 101.015 1.643 3.909 1.00 0.00 H new ATOM 0 HD11 LEU A 72 102.555 -0.084 4.798 1.00 0.00 H new ATOM 0 HD12 LEU A 72 100.879 -0.683 4.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 102.043 -1.203 3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 72 103.349 1.539 3.071 1.00 0.00 H new ATOM 0 HD22 LEU A 72 102.837 0.421 1.784 1.00 0.00 H new ATOM 0 HD23 LEU A 72 102.238 2.097 1.797 1.00 0.00 H new ATOM 1165 N ALA A 73 98.401 0.939 -0.316 1.00 0.00 N ATOM 1166 CA ALA A 73 97.180 0.569 -1.089 1.00 0.00 C ATOM 1167 C ALA A 73 96.255 -0.279 -0.217 1.00 0.00 C ATOM 1168 O ALA A 73 95.047 -0.192 -0.310 1.00 0.00 O ATOM 1169 CB ALA A 73 97.585 -0.229 -2.329 1.00 0.00 C ATOM 0 H ALA A 73 99.274 0.898 -0.842 1.00 0.00 H new ATOM 0 HA ALA A 73 96.657 1.476 -1.393 1.00 0.00 H new ATOM 0 HB1 ALA A 73 96.693 -0.500 -2.895 1.00 0.00 H new ATOM 0 HB2 ALA A 73 98.241 0.377 -2.954 1.00 0.00 H new ATOM 0 HB3 ALA A 73 98.110 -1.134 -2.024 1.00 0.00 H new ATOM 1175 N ASP A 74 96.810 -1.098 0.633 1.00 0.00 N ATOM 1176 CA ASP A 74 95.958 -1.946 1.510 1.00 0.00 C ATOM 1177 C ASP A 74 95.035 -1.049 2.338 1.00 0.00 C ATOM 1178 O ASP A 74 94.311 -1.509 3.197 1.00 0.00 O ATOM 1179 CB ASP A 74 96.846 -2.768 2.446 1.00 0.00 C ATOM 1180 CG ASP A 74 97.863 -3.559 1.621 1.00 0.00 C ATOM 1181 OD1 ASP A 74 98.856 -2.973 1.223 1.00 0.00 O ATOM 1182 OD2 ASP A 74 97.631 -4.736 1.402 1.00 0.00 O ATOM 0 H ASP A 74 97.815 -1.216 0.757 1.00 0.00 H new ATOM 0 HA ASP A 74 95.359 -2.619 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 74 97.362 -2.110 3.146 1.00 0.00 H new ATOM 0 HB3 ASP A 74 96.235 -3.448 3.039 1.00 0.00 H new ATOM 1187 N GLY A 75 95.060 0.233 2.087 1.00 0.00 N ATOM 1188 CA GLY A 75 94.189 1.161 2.860 1.00 0.00 C ATOM 1189 C GLY A 75 94.763 1.337 4.264 1.00 0.00 C ATOM 1190 O GLY A 75 94.053 1.646 5.201 1.00 0.00 O ATOM 0 H GLY A 75 95.646 0.676 1.380 1.00 0.00 H new ATOM 0 HA2 GLY A 75 94.127 2.125 2.356 1.00 0.00 H new ATOM 0 HA3 GLY A 75 93.175 0.765 2.916 1.00 0.00 H new ATOM 1194 N THR A 76 96.043 1.139 4.421 1.00 0.00 N ATOM 1195 CA THR A 76 96.661 1.291 5.761 1.00 0.00 C ATOM 1196 C THR A 76 97.343 2.654 5.857 1.00 0.00 C ATOM 1197 O THR A 76 97.631 3.289 4.863 1.00 0.00 O ATOM 1198 CB THR A 76 97.703 0.196 5.975 1.00 0.00 C ATOM 1199 OG1 THR A 76 97.496 -0.845 5.032 1.00 0.00 O ATOM 1200 CG2 THR A 76 97.586 -0.363 7.395 1.00 0.00 C ATOM 0 H THR A 76 96.687 0.878 3.674 1.00 0.00 H new ATOM 0 HA THR A 76 95.886 1.212 6.523 1.00 0.00 H new ATOM 0 HB THR A 76 98.700 0.616 5.839 1.00 0.00 H new ATOM 0 HG1 THR A 76 98.166 -1.547 5.168 1.00 0.00 H new ATOM 0 HG21 THR A 76 98.332 -1.144 7.541 1.00 0.00 H new ATOM 0 HG22 THR A 76 97.752 0.437 8.116 1.00 0.00 H new ATOM 0 HG23 THR A 76 96.590 -0.781 7.540 1.00 0.00 H new ATOM 1208 N GLU A 77 97.603 3.099 7.050 1.00 0.00 N ATOM 1209 CA GLU A 77 98.271 4.412 7.238 1.00 0.00 C ATOM 1210 C GLU A 77 99.402 4.261 8.259 1.00 0.00 C ATOM 1211 O GLU A 77 99.188 3.783 9.355 1.00 0.00 O ATOM 1212 CB GLU A 77 97.254 5.433 7.747 1.00 0.00 C ATOM 1213 CG GLU A 77 97.877 6.827 7.721 1.00 0.00 C ATOM 1214 CD GLU A 77 96.887 7.841 8.296 1.00 0.00 C ATOM 1215 OE1 GLU A 77 96.683 7.823 9.499 1.00 0.00 O ATOM 1216 OE2 GLU A 77 96.350 8.618 7.525 1.00 0.00 O ATOM 0 H GLU A 77 97.379 2.604 7.913 1.00 0.00 H new ATOM 0 HA GLU A 77 98.681 4.754 6.288 1.00 0.00 H new ATOM 0 HB2 GLU A 77 96.359 5.411 7.126 1.00 0.00 H new ATOM 0 HB3 GLU A 77 96.945 5.180 8.761 1.00 0.00 H new ATOM 0 HG2 GLU A 77 98.800 6.835 8.301 1.00 0.00 H new ATOM 0 HG3 GLU A 77 98.141 7.100 6.699 1.00 0.00 H new ATOM 1223 N LEU A 78 100.603 4.656 7.920 1.00 0.00 N ATOM 1224 CA LEU A 78 101.723 4.516 8.901 1.00 0.00 C ATOM 1225 C LEU A 78 102.530 5.814 8.975 1.00 0.00 C ATOM 1226 O LEU A 78 102.486 6.638 8.084 1.00 0.00 O ATOM 1227 CB LEU A 78 102.646 3.376 8.472 1.00 0.00 C ATOM 1228 CG LEU A 78 101.810 2.200 7.960 1.00 0.00 C ATOM 1229 CD1 LEU A 78 101.605 2.336 6.450 1.00 0.00 C ATOM 1230 CD2 LEU A 78 102.542 0.888 8.258 1.00 0.00 C ATOM 0 H LEU A 78 100.855 5.064 7.020 1.00 0.00 H new ATOM 0 HA LEU A 78 101.301 4.300 9.882 1.00 0.00 H new ATOM 0 HB2 LEU A 78 103.325 3.719 7.691 1.00 0.00 H new ATOM 0 HB3 LEU A 78 103.262 3.058 9.313 1.00 0.00 H new ATOM 0 HG LEU A 78 100.841 2.200 8.459 1.00 0.00 H new ATOM 0 HD11 LEU A 78 101.010 1.498 6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 78 101.086 3.270 6.236 1.00 0.00 H new ATOM 0 HD13 LEU A 78 102.574 2.337 5.950 1.00 0.00 H new ATOM 0 HD21 LEU A 78 101.948 0.049 7.894 1.00 0.00 H new ATOM 0 HD22 LEU A 78 103.511 0.890 7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 78 102.688 0.789 9.334 1.00 0.00 H new ATOM 1242 N ARG A 79 103.268 5.999 10.040 1.00 0.00 N ATOM 1243 CA ARG A 79 104.080 7.246 10.181 1.00 0.00 C ATOM 1244 C ARG A 79 105.492 6.907 10.675 1.00 0.00 C ATOM 1245 O ARG A 79 105.698 5.948 11.394 1.00 0.00 O ATOM 1246 CB ARG A 79 103.401 8.186 11.181 1.00 0.00 C ATOM 1247 CG ARG A 79 103.354 7.521 12.559 1.00 0.00 C ATOM 1248 CD ARG A 79 102.662 8.458 13.552 1.00 0.00 C ATOM 1249 NE ARG A 79 102.275 7.691 14.770 1.00 0.00 N ATOM 1250 CZ ARG A 79 101.733 8.308 15.784 1.00 0.00 C ATOM 1251 NH1 ARG A 79 101.394 7.637 16.851 1.00 0.00 N ATOM 1252 NH2 ARG A 79 101.528 9.595 15.732 1.00 0.00 N ATOM 0 H ARG A 79 103.344 5.342 10.817 1.00 0.00 H new ATOM 0 HA ARG A 79 104.153 7.733 9.209 1.00 0.00 H new ATOM 0 HB2 ARG A 79 103.947 9.128 11.239 1.00 0.00 H new ATOM 0 HB3 ARG A 79 102.391 8.423 10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 79 102.817 6.574 12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 79 104.364 7.294 12.900 1.00 0.00 H new ATOM 0 HD2 ARG A 79 103.329 9.277 13.821 1.00 0.00 H new ATOM 0 HD3 ARG A 79 101.779 8.904 13.094 1.00 0.00 H new ATOM 0 HE ARG A 79 102.434 6.684 14.811 1.00 0.00 H new ATOM 0 HH11 ARG A 79 101.553 6.630 16.892 1.00 0.00 H new ATOM 0 HH12 ARG A 79 100.970 8.119 17.644 1.00 0.00 H new ATOM 0 HH21 ARG A 79 101.791 10.120 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 79 101.104 10.076 16.525 1.00 0.00 H new ATOM 1266 N GLY A 80 106.468 7.691 10.285 1.00 0.00 N ATOM 1267 CA GLY A 80 107.861 7.447 10.703 1.00 0.00 C ATOM 1268 C GLY A 80 108.741 8.228 9.741 1.00 0.00 C ATOM 1269 O GLY A 80 108.717 9.439 9.723 1.00 0.00 O ATOM 0 H GLY A 80 106.343 8.504 9.682 1.00 0.00 H new ATOM 0 HA2 GLY A 80 108.021 7.775 11.730 1.00 0.00 H new ATOM 0 HA3 GLY A 80 108.096 6.383 10.668 1.00 0.00 H new ATOM 1273 N THR A 81 109.478 7.561 8.904 1.00 0.00 N ATOM 1274 CA THR A 81 110.321 8.301 7.918 1.00 0.00 C ATOM 1275 C THR A 81 111.320 7.360 7.253 1.00 0.00 C ATOM 1276 O THR A 81 111.721 6.357 7.808 1.00 0.00 O ATOM 1277 CB THR A 81 111.101 9.427 8.616 1.00 0.00 C ATOM 1278 OG1 THR A 81 110.911 9.348 10.021 1.00 0.00 O ATOM 1279 CG2 THR A 81 110.618 10.786 8.105 1.00 0.00 C ATOM 0 H THR A 81 109.537 6.544 8.856 1.00 0.00 H new ATOM 0 HA THR A 81 109.656 8.723 7.164 1.00 0.00 H new ATOM 0 HB THR A 81 112.162 9.316 8.393 1.00 0.00 H new ATOM 0 HG1 THR A 81 110.166 9.928 10.283 1.00 0.00 H new ATOM 0 HG21 THR A 81 111.174 11.580 8.603 1.00 0.00 H new ATOM 0 HG22 THR A 81 110.780 10.849 7.029 1.00 0.00 H new ATOM 0 HG23 THR A 81 109.555 10.898 8.319 1.00 0.00 H new ATOM 1287 N TRP A 82 111.743 7.706 6.071 1.00 0.00 N ATOM 1288 CA TRP A 82 112.743 6.868 5.354 1.00 0.00 C ATOM 1289 C TRP A 82 114.112 7.537 5.482 1.00 0.00 C ATOM 1290 O TRP A 82 114.244 8.730 5.294 1.00 0.00 O ATOM 1291 CB TRP A 82 112.361 6.756 3.877 1.00 0.00 C ATOM 1292 CG TRP A 82 111.092 5.978 3.744 1.00 0.00 C ATOM 1293 CD1 TRP A 82 109.851 6.473 3.955 1.00 0.00 C ATOM 1294 CD2 TRP A 82 110.917 4.580 3.373 1.00 0.00 C ATOM 1295 NE1 TRP A 82 108.925 5.469 3.738 1.00 0.00 N ATOM 1296 CE2 TRP A 82 109.533 4.283 3.377 1.00 0.00 C ATOM 1297 CE3 TRP A 82 111.815 3.551 3.039 1.00 0.00 C ATOM 1298 CZ2 TRP A 82 109.058 3.010 3.060 1.00 0.00 C ATOM 1299 CZ3 TRP A 82 111.340 2.269 2.718 1.00 0.00 C ATOM 1300 CH2 TRP A 82 109.964 2.000 2.728 1.00 0.00 C ATOM 0 H TRP A 82 111.437 8.539 5.567 1.00 0.00 H new ATOM 0 HA TRP A 82 112.771 5.868 5.786 1.00 0.00 H new ATOM 0 HB2 TRP A 82 112.237 7.750 3.447 1.00 0.00 H new ATOM 0 HB3 TRP A 82 113.160 6.266 3.321 1.00 0.00 H new ATOM 0 HD1 TRP A 82 109.621 7.487 4.246 1.00 0.00 H new ATOM 0 HE1 TRP A 82 107.917 5.590 3.833 1.00 0.00 H new ATOM 0 HE3 TRP A 82 112.877 3.748 3.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 107.997 2.807 3.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 112.038 1.486 2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 82 109.605 1.012 2.479 1.00 0.00 H new ATOM 1311 N SER A 83 115.133 6.792 5.814 1.00 0.00 N ATOM 1312 CA SER A 83 116.480 7.416 5.966 1.00 0.00 C ATOM 1313 C SER A 83 117.531 6.506 5.342 1.00 0.00 C ATOM 1314 O SER A 83 117.324 5.329 5.196 1.00 0.00 O ATOM 1315 CB SER A 83 116.789 7.607 7.451 1.00 0.00 C ATOM 1316 OG SER A 83 116.140 8.782 7.919 1.00 0.00 O ATOM 0 H SER A 83 115.094 5.787 5.985 1.00 0.00 H new ATOM 0 HA SER A 83 116.492 8.384 5.466 1.00 0.00 H new ATOM 0 HB2 SER A 83 116.451 6.740 8.019 1.00 0.00 H new ATOM 0 HB3 SER A 83 117.865 7.687 7.603 1.00 0.00 H new ATOM 0 HG SER A 83 115.467 9.066 7.266 1.00 0.00 H new ATOM 1322 N LEU A 84 118.658 7.029 4.965 1.00 0.00 N ATOM 1323 CA LEU A 84 119.688 6.156 4.369 1.00 0.00 C ATOM 1324 C LEU A 84 120.651 5.725 5.480 1.00 0.00 C ATOM 1325 O LEU A 84 121.164 6.541 6.221 1.00 0.00 O ATOM 1326 CB LEU A 84 120.425 6.924 3.261 1.00 0.00 C ATOM 1327 CG LEU A 84 121.929 6.687 3.366 1.00 0.00 C ATOM 1328 CD1 LEU A 84 122.246 5.229 3.022 1.00 0.00 C ATOM 1329 CD2 LEU A 84 122.660 7.613 2.391 1.00 0.00 C ATOM 0 H LEU A 84 118.906 8.015 5.044 1.00 0.00 H new ATOM 0 HA LEU A 84 119.239 5.269 3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 84 120.066 6.601 2.284 1.00 0.00 H new ATOM 0 HB3 LEU A 84 120.211 7.990 3.343 1.00 0.00 H new ATOM 0 HG LEU A 84 122.258 6.897 4.384 1.00 0.00 H new ATOM 0 HD11 LEU A 84 123.321 5.063 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 84 121.727 4.570 3.718 1.00 0.00 H new ATOM 0 HD13 LEU A 84 121.917 5.015 2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 84 123.734 7.444 2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 84 122.329 7.404 1.374 1.00 0.00 H new ATOM 0 HD23 LEU A 84 122.438 8.651 2.639 1.00 0.00 H new ATOM 1341 N GLU A 85 120.892 4.453 5.604 1.00 0.00 N ATOM 1342 CA GLU A 85 121.815 3.964 6.662 1.00 0.00 C ATOM 1343 C GLU A 85 122.846 3.042 6.021 1.00 0.00 C ATOM 1344 O GLU A 85 122.511 2.025 5.447 1.00 0.00 O ATOM 1345 CB GLU A 85 121.024 3.195 7.722 1.00 0.00 C ATOM 1346 CG GLU A 85 120.535 4.168 8.797 1.00 0.00 C ATOM 1347 CD GLU A 85 121.686 4.497 9.749 1.00 0.00 C ATOM 1348 OE1 GLU A 85 122.370 5.477 9.503 1.00 0.00 O ATOM 1349 OE2 GLU A 85 121.864 3.764 10.708 1.00 0.00 O ATOM 0 H GLU A 85 120.487 3.726 5.014 1.00 0.00 H new ATOM 0 HA GLU A 85 122.315 4.808 7.138 1.00 0.00 H new ATOM 0 HB2 GLU A 85 120.176 2.688 7.262 1.00 0.00 H new ATOM 0 HB3 GLU A 85 121.651 2.424 8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 85 120.160 5.081 8.333 1.00 0.00 H new ATOM 0 HG3 GLU A 85 119.706 3.728 9.351 1.00 0.00 H new ATOM 1356 N GLY A 86 124.098 3.390 6.099 1.00 0.00 N ATOM 1357 CA GLY A 86 125.136 2.532 5.474 1.00 0.00 C ATOM 1358 C GLY A 86 124.894 2.484 3.967 1.00 0.00 C ATOM 1359 O GLY A 86 125.136 3.442 3.260 1.00 0.00 O ATOM 0 H GLY A 86 124.445 4.228 6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 86 126.130 2.928 5.684 1.00 0.00 H new ATOM 0 HA3 GLY A 86 125.098 1.527 5.894 1.00 0.00 H new ATOM 1363 N ASN A 87 124.417 1.376 3.466 1.00 0.00 N ATOM 1364 CA ASN A 87 124.161 1.270 2.000 1.00 0.00 C ATOM 1365 C ASN A 87 122.711 0.850 1.738 1.00 0.00 C ATOM 1366 O ASN A 87 122.436 0.133 0.797 1.00 0.00 O ATOM 1367 CB ASN A 87 125.108 0.232 1.394 1.00 0.00 C ATOM 1368 CG ASN A 87 126.556 0.627 1.689 1.00 0.00 C ATOM 1369 OD1 ASN A 87 127.134 0.177 2.658 1.00 0.00 O ATOM 1370 ND2 ASN A 87 127.170 1.455 0.889 1.00 0.00 N ATOM 0 H ASN A 87 124.194 0.541 4.007 1.00 0.00 H new ATOM 0 HA ASN A 87 124.333 2.244 1.541 1.00 0.00 H new ATOM 0 HB2 ASN A 87 124.897 -0.754 1.809 1.00 0.00 H new ATOM 0 HB3 ASN A 87 124.950 0.165 0.318 1.00 0.00 H new ATOM 0 HD21 ASN A 87 128.136 1.725 1.077 1.00 0.00 H new ATOM 0 HD22 ASN A 87 126.684 1.833 0.075 1.00 0.00 H new ATOM 1377 N LYS A 88 121.777 1.275 2.550 1.00 0.00 N ATOM 1378 CA LYS A 88 120.367 0.866 2.303 1.00 0.00 C ATOM 1379 C LYS A 88 119.405 1.964 2.757 1.00 0.00 C ATOM 1380 O LYS A 88 119.678 2.706 3.680 1.00 0.00 O ATOM 1381 CB LYS A 88 120.072 -0.420 3.077 1.00 0.00 C ATOM 1382 CG LYS A 88 120.098 -0.128 4.580 1.00 0.00 C ATOM 1383 CD LYS A 88 120.494 -1.394 5.344 1.00 0.00 C ATOM 1384 CE LYS A 88 120.754 -1.043 6.809 1.00 0.00 C ATOM 1385 NZ LYS A 88 120.524 -2.247 7.657 1.00 0.00 N ATOM 0 H LYS A 88 121.928 1.877 3.359 1.00 0.00 H new ATOM 0 HA LYS A 88 120.229 0.698 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 88 119.098 -0.815 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 88 120.811 -1.183 2.831 1.00 0.00 H new ATOM 0 HG2 LYS A 88 120.806 0.673 4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 88 119.118 0.216 4.910 1.00 0.00 H new ATOM 0 HD2 LYS A 88 119.701 -2.138 5.272 1.00 0.00 H new ATOM 0 HD3 LYS A 88 121.386 -1.835 4.900 1.00 0.00 H new ATOM 0 HE2 LYS A 88 121.777 -0.688 6.933 1.00 0.00 H new ATOM 0 HE3 LYS A 88 120.095 -0.233 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 120.701 -2.009 8.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 119.540 -2.567 7.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 121.170 -3.007 7.363 1.00 0.00 H new ATOM 1399 N LEU A 89 118.270 2.063 2.116 1.00 0.00 N ATOM 1400 CA LEU A 89 117.275 3.098 2.508 1.00 0.00 C ATOM 1401 C LEU A 89 116.309 2.487 3.524 1.00 0.00 C ATOM 1402 O LEU A 89 115.583 1.562 3.225 1.00 0.00 O ATOM 1403 CB LEU A 89 116.502 3.560 1.268 1.00 0.00 C ATOM 1404 CG LEU A 89 117.066 4.894 0.776 1.00 0.00 C ATOM 1405 CD1 LEU A 89 116.723 5.081 -0.703 1.00 0.00 C ATOM 1406 CD2 LEU A 89 116.454 6.037 1.590 1.00 0.00 C ATOM 0 H LEU A 89 117.991 1.469 1.336 1.00 0.00 H new ATOM 0 HA LEU A 89 117.781 3.957 2.950 1.00 0.00 H new ATOM 0 HB2 LEU A 89 116.577 2.810 0.481 1.00 0.00 H new ATOM 0 HB3 LEU A 89 115.444 3.667 1.506 1.00 0.00 H new ATOM 0 HG LEU A 89 118.149 4.898 0.900 1.00 0.00 H new ATOM 0 HD11 LEU A 89 117.125 6.032 -1.052 1.00 0.00 H new ATOM 0 HD12 LEU A 89 117.159 4.268 -1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 89 115.640 5.077 -0.829 1.00 0.00 H new ATOM 0 HD21 LEU A 89 116.855 6.988 1.240 1.00 0.00 H new ATOM 0 HD22 LEU A 89 115.371 6.033 1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 89 116.699 5.905 2.644 1.00 0.00 H new ATOM 1418 N ILE A 90 116.304 2.985 4.726 1.00 0.00 N ATOM 1419 CA ILE A 90 115.398 2.419 5.757 1.00 0.00 C ATOM 1420 C ILE A 90 114.032 3.089 5.692 1.00 0.00 C ATOM 1421 O ILE A 90 113.860 4.137 5.105 1.00 0.00 O ATOM 1422 CB ILE A 90 115.987 2.616 7.144 1.00 0.00 C ATOM 1423 CG1 ILE A 90 116.808 3.891 7.177 1.00 0.00 C ATOM 1424 CG2 ILE A 90 116.885 1.428 7.497 1.00 0.00 C ATOM 1425 CD1 ILE A 90 117.164 4.195 8.620 1.00 0.00 C ATOM 0 H ILE A 90 116.889 3.760 5.039 1.00 0.00 H new ATOM 0 HA ILE A 90 115.285 1.353 5.560 1.00 0.00 H new ATOM 0 HB ILE A 90 115.175 2.688 7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 90 117.712 3.775 6.580 1.00 0.00 H new ATOM 0 HG13 ILE A 90 116.244 4.717 6.744 1.00 0.00 H new ATOM 0 HG21 ILE A 90 117.306 1.573 8.492 1.00 0.00 H new ATOM 0 HG22 ILE A 90 116.297 0.510 7.482 1.00 0.00 H new ATOM 0 HG23 ILE A 90 117.693 1.354 6.769 1.00 0.00 H new ATOM 0 HD11 ILE A 90 117.755 5.110 8.664 1.00 0.00 H new ATOM 0 HD12 ILE A 90 116.251 4.325 9.200 1.00 0.00 H new ATOM 0 HD13 ILE A 90 117.742 3.369 9.034 1.00 0.00 H new ATOM 1437 N GLY A 91 113.065 2.472 6.304 1.00 0.00 N ATOM 1438 CA GLY A 91 111.685 3.028 6.316 1.00 0.00 C ATOM 1439 C GLY A 91 111.022 2.650 7.638 1.00 0.00 C ATOM 1440 O GLY A 91 110.459 1.583 7.781 1.00 0.00 O ATOM 0 H GLY A 91 113.173 1.590 6.806 1.00 0.00 H new ATOM 0 HA2 GLY A 91 111.712 4.112 6.202 1.00 0.00 H new ATOM 0 HA3 GLY A 91 111.110 2.634 5.478 1.00 0.00 H new ATOM 1444 N LYS A 92 111.084 3.512 8.606 1.00 0.00 N ATOM 1445 CA LYS A 92 110.456 3.194 9.914 1.00 0.00 C ATOM 1446 C LYS A 92 108.995 3.620 9.864 1.00 0.00 C ATOM 1447 O LYS A 92 108.686 4.783 9.968 1.00 0.00 O ATOM 1448 CB LYS A 92 111.177 3.953 11.030 1.00 0.00 C ATOM 1449 CG LYS A 92 112.342 3.109 11.552 1.00 0.00 C ATOM 1450 CD LYS A 92 113.300 3.998 12.349 1.00 0.00 C ATOM 1451 CE LYS A 92 114.140 3.131 13.289 1.00 0.00 C ATOM 1452 NZ LYS A 92 115.000 4.005 14.135 1.00 0.00 N ATOM 0 H LYS A 92 111.541 4.422 8.550 1.00 0.00 H new ATOM 0 HA LYS A 92 110.527 2.125 10.113 1.00 0.00 H new ATOM 0 HB2 LYS A 92 111.545 4.908 10.655 1.00 0.00 H new ATOM 0 HB3 LYS A 92 110.483 4.175 11.841 1.00 0.00 H new ATOM 0 HG2 LYS A 92 111.967 2.303 12.183 1.00 0.00 H new ATOM 0 HG3 LYS A 92 112.869 2.643 10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 92 113.949 4.551 11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 92 112.737 4.734 12.922 1.00 0.00 H new ATOM 0 HE2 LYS A 92 113.490 2.523 13.919 1.00 0.00 H new ATOM 0 HE3 LYS A 92 114.758 2.444 12.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 115.571 3.416 14.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 115.629 4.566 13.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 114.401 4.644 14.696 1.00 0.00 H new ATOM 1466 N PHE A 93 108.101 2.688 9.687 1.00 0.00 N ATOM 1467 CA PHE A 93 106.657 3.035 9.608 1.00 0.00 C ATOM 1468 C PHE A 93 105.874 2.288 10.678 1.00 0.00 C ATOM 1469 O PHE A 93 106.073 1.114 10.914 1.00 0.00 O ATOM 1470 CB PHE A 93 106.122 2.649 8.222 1.00 0.00 C ATOM 1471 CG PHE A 93 106.331 3.778 7.233 1.00 0.00 C ATOM 1472 CD1 PHE A 93 106.894 4.993 7.644 1.00 0.00 C ATOM 1473 CD2 PHE A 93 105.958 3.602 5.894 1.00 0.00 C ATOM 1474 CE1 PHE A 93 107.082 6.026 6.724 1.00 0.00 C ATOM 1475 CE2 PHE A 93 106.147 4.638 4.971 1.00 0.00 C ATOM 1476 CZ PHE A 93 106.709 5.851 5.387 1.00 0.00 C ATOM 0 H PHE A 93 108.311 1.694 9.593 1.00 0.00 H new ATOM 0 HA PHE A 93 106.538 4.106 9.769 1.00 0.00 H new ATOM 0 HB2 PHE A 93 106.629 1.751 7.868 1.00 0.00 H new ATOM 0 HB3 PHE A 93 105.061 2.410 8.290 1.00 0.00 H new ATOM 0 HD1 PHE A 93 107.183 5.131 8.675 1.00 0.00 H new ATOM 0 HD2 PHE A 93 105.524 2.666 5.573 1.00 0.00 H new ATOM 0 HE1 PHE A 93 107.516 6.962 7.045 1.00 0.00 H new ATOM 0 HE2 PHE A 93 105.859 4.501 3.939 1.00 0.00 H new ATOM 0 HZ PHE A 93 106.854 6.651 4.676 1.00 0.00 H new ATOM 1486 N LYS A 94 104.971 2.970 11.318 1.00 0.00 N ATOM 1487 CA LYS A 94 104.145 2.321 12.368 1.00 0.00 C ATOM 1488 C LYS A 94 102.669 2.582 12.067 1.00 0.00 C ATOM 1489 O LYS A 94 102.252 3.712 11.898 1.00 0.00 O ATOM 1490 CB LYS A 94 104.508 2.895 13.740 1.00 0.00 C ATOM 1491 CG LYS A 94 103.930 4.304 13.877 1.00 0.00 C ATOM 1492 CD LYS A 94 104.529 4.985 15.110 1.00 0.00 C ATOM 1493 CE LYS A 94 106.011 5.287 14.867 1.00 0.00 C ATOM 1494 NZ LYS A 94 106.402 6.499 15.642 1.00 0.00 N ATOM 0 H LYS A 94 104.768 3.957 11.158 1.00 0.00 H new ATOM 0 HA LYS A 94 104.333 1.247 12.376 1.00 0.00 H new ATOM 0 HB2 LYS A 94 104.117 2.253 14.529 1.00 0.00 H new ATOM 0 HB3 LYS A 94 105.591 2.922 13.859 1.00 0.00 H new ATOM 0 HG2 LYS A 94 104.151 4.887 12.983 1.00 0.00 H new ATOM 0 HG3 LYS A 94 102.845 4.256 13.966 1.00 0.00 H new ATOM 0 HD2 LYS A 94 103.991 5.908 15.324 1.00 0.00 H new ATOM 0 HD3 LYS A 94 104.418 4.341 15.982 1.00 0.00 H new ATOM 0 HE2 LYS A 94 106.621 4.436 15.169 1.00 0.00 H new ATOM 0 HE3 LYS A 94 106.191 5.447 13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 107.408 6.706 15.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 105.827 7.309 15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 106.244 6.329 16.656 1.00 0.00 H new ATOM 1508 N ARG A 95 101.876 1.548 11.992 1.00 0.00 N ATOM 1509 CA ARG A 95 100.431 1.746 11.698 1.00 0.00 C ATOM 1510 C ARG A 95 99.913 2.917 12.531 1.00 0.00 C ATOM 1511 O ARG A 95 99.893 2.868 13.742 1.00 0.00 O ATOM 1512 CB ARG A 95 99.655 0.477 12.059 1.00 0.00 C ATOM 1513 CG ARG A 95 100.025 -0.643 11.085 1.00 0.00 C ATOM 1514 CD ARG A 95 98.947 -1.727 11.120 1.00 0.00 C ATOM 1515 NE ARG A 95 97.720 -1.230 10.436 1.00 0.00 N ATOM 1516 CZ ARG A 95 96.760 -2.060 10.134 1.00 0.00 C ATOM 1517 NH1 ARG A 95 95.685 -1.626 9.535 1.00 0.00 N ATOM 1518 NH2 ARG A 95 96.875 -3.327 10.430 1.00 0.00 N ATOM 0 H ARG A 95 102.166 0.579 12.121 1.00 0.00 H new ATOM 0 HA ARG A 95 100.295 1.958 10.637 1.00 0.00 H new ATOM 0 HB2 ARG A 95 99.886 0.175 13.081 1.00 0.00 H new ATOM 0 HB3 ARG A 95 98.583 0.670 12.018 1.00 0.00 H new ATOM 0 HG2 ARG A 95 100.122 -0.244 10.075 1.00 0.00 H new ATOM 0 HG3 ARG A 95 100.992 -1.068 11.354 1.00 0.00 H new ATOM 0 HD2 ARG A 95 99.309 -2.631 10.630 1.00 0.00 H new ATOM 0 HD3 ARG A 95 98.718 -1.994 12.152 1.00 0.00 H new ATOM 0 HE ARG A 95 97.631 -0.241 10.204 1.00 0.00 H new ATOM 0 HH11 ARG A 95 95.595 -0.637 9.302 1.00 0.00 H new ATOM 0 HH12 ARG A 95 94.935 -2.276 9.299 1.00 0.00 H new ATOM 0 HH21 ARG A 95 97.715 -3.667 10.897 1.00 0.00 H new ATOM 0 HH22 ARG A 95 96.124 -3.976 10.194 1.00 0.00 H new ATOM 1532 N THR A 96 99.504 3.975 11.895 1.00 0.00 N ATOM 1533 CA THR A 96 99.001 5.146 12.662 1.00 0.00 C ATOM 1534 C THR A 96 97.694 4.781 13.337 1.00 0.00 C ATOM 1535 O THR A 96 97.126 5.532 14.106 1.00 0.00 O ATOM 1536 CB THR A 96 98.783 6.316 11.708 1.00 0.00 C ATOM 1537 OG1 THR A 96 99.112 5.912 10.387 1.00 0.00 O ATOM 1538 CG2 THR A 96 99.671 7.482 12.121 1.00 0.00 C ATOM 0 H THR A 96 99.496 4.081 10.881 1.00 0.00 H new ATOM 0 HA THR A 96 99.729 5.431 13.421 1.00 0.00 H new ATOM 0 HB THR A 96 97.739 6.628 11.745 1.00 0.00 H new ATOM 0 HG1 THR A 96 98.523 5.178 10.113 1.00 0.00 H new ATOM 0 HG21 THR A 96 99.515 8.318 11.439 1.00 0.00 H new ATOM 0 HG22 THR A 96 99.419 7.790 13.136 1.00 0.00 H new ATOM 0 HG23 THR A 96 100.716 7.174 12.084 1.00 0.00 H new ATOM 1546 N ASP A 97 97.234 3.626 13.042 1.00 0.00 N ATOM 1547 CA ASP A 97 95.961 3.136 13.635 1.00 0.00 C ATOM 1548 C ASP A 97 96.251 2.486 14.989 1.00 0.00 C ATOM 1549 O ASP A 97 95.602 2.768 15.977 1.00 0.00 O ATOM 1550 CB ASP A 97 95.323 2.107 12.699 1.00 0.00 C ATOM 1551 CG ASP A 97 95.544 2.534 11.247 1.00 0.00 C ATOM 1552 OD1 ASP A 97 94.623 3.082 10.665 1.00 0.00 O ATOM 1553 OD2 ASP A 97 96.630 2.304 10.741 1.00 0.00 O ATOM 0 H ASP A 97 97.686 2.974 12.401 1.00 0.00 H new ATOM 0 HA ASP A 97 95.276 3.973 13.771 1.00 0.00 H new ATOM 0 HB2 ASP A 97 95.760 1.123 12.871 1.00 0.00 H new ATOM 0 HB3 ASP A 97 94.256 2.023 12.906 1.00 0.00 H new ATOM 1558 N ASN A 98 97.222 1.619 15.038 1.00 0.00 N ATOM 1559 CA ASN A 98 97.564 0.947 16.322 1.00 0.00 C ATOM 1560 C ASN A 98 99.077 1.003 16.544 1.00 0.00 C ATOM 1561 O ASN A 98 99.605 0.377 17.441 1.00 0.00 O ATOM 1562 CB ASN A 98 97.109 -0.514 16.271 1.00 0.00 C ATOM 1563 CG ASN A 98 96.924 -1.041 17.695 1.00 0.00 C ATOM 1564 OD1 ASN A 98 97.508 -2.041 18.065 1.00 0.00 O ATOM 1565 ND2 ASN A 98 96.134 -0.406 18.516 1.00 0.00 N ATOM 0 H ASN A 98 97.796 1.345 14.241 1.00 0.00 H new ATOM 0 HA ASN A 98 97.059 1.457 17.143 1.00 0.00 H new ATOM 0 HB2 ASN A 98 96.174 -0.596 15.717 1.00 0.00 H new ATOM 0 HB3 ASN A 98 97.846 -1.117 15.742 1.00 0.00 H new ATOM 0 HD21 ASN A 98 96.006 -0.748 19.468 1.00 0.00 H new ATOM 0 HD22 ASN A 98 95.644 0.433 18.206 1.00 0.00 H new ATOM 1572 N GLY A 99 99.780 1.747 15.733 1.00 0.00 N ATOM 1573 CA GLY A 99 101.259 1.838 15.900 1.00 0.00 C ATOM 1574 C GLY A 99 101.845 0.433 16.038 1.00 0.00 C ATOM 1575 O GLY A 99 102.646 0.168 16.913 1.00 0.00 O ATOM 0 H GLY A 99 99.395 2.295 14.964 1.00 0.00 H new ATOM 0 HA2 GLY A 99 101.702 2.345 15.043 1.00 0.00 H new ATOM 0 HA3 GLY A 99 101.500 2.432 16.782 1.00 0.00 H new ATOM 1579 N ASN A 100 101.453 -0.474 15.185 1.00 0.00 N ATOM 1580 CA ASN A 100 101.993 -1.860 15.278 1.00 0.00 C ATOM 1581 C ASN A 100 103.447 -1.873 14.820 1.00 0.00 C ATOM 1582 O ASN A 100 104.050 -2.912 14.638 1.00 0.00 O ATOM 1583 CB ASN A 100 101.162 -2.800 14.403 1.00 0.00 C ATOM 1584 CG ASN A 100 99.902 -3.222 15.160 1.00 0.00 C ATOM 1585 OD1 ASN A 100 98.754 -3.228 14.539 1.00 0.00 O flip ATOM 1586 ND2 ASN A 100 99.962 -3.550 16.328 1.00 0.00 N flip ATOM 0 H ASN A 100 100.785 -0.316 14.431 1.00 0.00 H new ATOM 0 HA ASN A 100 101.940 -2.200 16.312 1.00 0.00 H new ATOM 0 HB2 ASN A 100 100.890 -2.302 13.472 1.00 0.00 H new ATOM 0 HB3 ASN A 100 101.749 -3.678 14.135 1.00 0.00 H new ATOM 0 HD21 ASN A 100 100.859 -3.545 16.814 1.00 0.00 H new ATOM 0 HD22 ASN A 100 99.115 -3.830 16.823 1.00 0.00 H new ATOM 1593 N GLU A 101 104.008 -0.716 14.662 1.00 0.00 N ATOM 1594 CA GLU A 101 105.436 -0.599 14.241 1.00 0.00 C ATOM 1595 C GLU A 101 105.735 -1.488 13.024 1.00 0.00 C ATOM 1596 O GLU A 101 105.378 -2.648 12.975 1.00 0.00 O ATOM 1597 CB GLU A 101 106.338 -1.016 15.408 1.00 0.00 C ATOM 1598 CG GLU A 101 106.834 0.231 16.145 1.00 0.00 C ATOM 1599 CD GLU A 101 107.543 -0.185 17.435 1.00 0.00 C ATOM 1600 OE1 GLU A 101 108.441 -1.006 17.356 1.00 0.00 O ATOM 1601 OE2 GLU A 101 107.174 0.324 18.480 1.00 0.00 O ATOM 0 H GLU A 101 103.534 0.175 14.808 1.00 0.00 H new ATOM 0 HA GLU A 101 105.629 0.437 13.961 1.00 0.00 H new ATOM 0 HB2 GLU A 101 105.788 -1.661 16.093 1.00 0.00 H new ATOM 0 HB3 GLU A 101 107.185 -1.593 15.038 1.00 0.00 H new ATOM 0 HG2 GLU A 101 107.516 0.795 15.509 1.00 0.00 H new ATOM 0 HG3 GLU A 101 105.995 0.888 16.374 1.00 0.00 H new ATOM 1608 N LEU A 102 106.424 -0.947 12.055 1.00 0.00 N ATOM 1609 CA LEU A 102 106.798 -1.735 10.847 1.00 0.00 C ATOM 1610 C LEU A 102 108.234 -1.365 10.478 1.00 0.00 C ATOM 1611 O LEU A 102 108.580 -0.203 10.413 1.00 0.00 O ATOM 1612 CB LEU A 102 105.860 -1.404 9.679 1.00 0.00 C ATOM 1613 CG LEU A 102 106.153 -2.342 8.499 1.00 0.00 C ATOM 1614 CD1 LEU A 102 104.919 -2.428 7.596 1.00 0.00 C ATOM 1615 CD2 LEU A 102 107.343 -1.812 7.681 1.00 0.00 C ATOM 0 H LEU A 102 106.747 0.020 12.050 1.00 0.00 H new ATOM 0 HA LEU A 102 106.714 -2.802 11.055 1.00 0.00 H new ATOM 0 HB2 LEU A 102 104.821 -1.511 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 102 105.995 -0.366 9.374 1.00 0.00 H new ATOM 0 HG LEU A 102 106.398 -3.331 8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 102 105.127 -3.094 6.758 1.00 0.00 H new ATOM 0 HD12 LEU A 102 104.076 -2.816 8.168 1.00 0.00 H new ATOM 0 HD13 LEU A 102 104.675 -1.435 7.218 1.00 0.00 H new ATOM 0 HD21 LEU A 102 107.541 -2.486 6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 102 107.107 -0.819 7.297 1.00 0.00 H new ATOM 0 HD23 LEU A 102 108.226 -1.755 8.318 1.00 0.00 H new ATOM 1627 N ASN A 103 109.078 -2.333 10.245 1.00 0.00 N ATOM 1628 CA ASN A 103 110.491 -2.008 9.895 1.00 0.00 C ATOM 1629 C ASN A 103 110.767 -2.447 8.461 1.00 0.00 C ATOM 1630 O ASN A 103 110.765 -3.619 8.155 1.00 0.00 O ATOM 1631 CB ASN A 103 111.438 -2.738 10.854 1.00 0.00 C ATOM 1632 CG ASN A 103 111.882 -1.784 11.965 1.00 0.00 C ATOM 1633 OD1 ASN A 103 111.117 -0.777 12.289 1.00 0.00 O flip ATOM 1634 ND2 ASN A 103 112.937 -1.954 12.543 1.00 0.00 N flip ATOM 0 H ASN A 103 108.853 -3.327 10.281 1.00 0.00 H new ATOM 0 HA ASN A 103 110.653 -0.934 9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 103 110.938 -3.605 11.285 1.00 0.00 H new ATOM 0 HB3 ASN A 103 112.307 -3.109 10.310 1.00 0.00 H new ATOM 0 HD21 ASN A 103 113.536 -2.740 12.291 1.00 0.00 H new ATOM 0 HD22 ASN A 103 113.224 -1.310 13.280 1.00 0.00 H new ATOM 1641 N THR A 104 110.987 -1.517 7.570 1.00 0.00 N ATOM 1642 CA THR A 104 111.233 -1.899 6.156 1.00 0.00 C ATOM 1643 C THR A 104 112.549 -1.310 5.646 1.00 0.00 C ATOM 1644 O THR A 104 113.208 -0.536 6.315 1.00 0.00 O ATOM 1645 CB THR A 104 110.088 -1.368 5.296 1.00 0.00 C ATOM 1646 OG1 THR A 104 110.423 -1.506 3.921 1.00 0.00 O ATOM 1647 CG2 THR A 104 109.861 0.107 5.624 1.00 0.00 C ATOM 0 H THR A 104 111.006 -0.515 7.762 1.00 0.00 H new ATOM 0 HA THR A 104 111.293 -2.986 6.095 1.00 0.00 H new ATOM 0 HB THR A 104 109.179 -1.933 5.502 1.00 0.00 H new ATOM 0 HG1 THR A 104 110.590 -2.450 3.718 1.00 0.00 H new ATOM 0 HG21 THR A 104 109.045 0.494 5.014 1.00 0.00 H new ATOM 0 HG22 THR A 104 109.606 0.210 6.679 1.00 0.00 H new ATOM 0 HG23 THR A 104 110.770 0.671 5.414 1.00 0.00 H new ATOM 1655 N VAL A 105 112.917 -1.674 4.448 1.00 0.00 N ATOM 1656 CA VAL A 105 114.172 -1.154 3.844 1.00 0.00 C ATOM 1657 C VAL A 105 113.963 -0.999 2.335 1.00 0.00 C ATOM 1658 O VAL A 105 113.029 -1.538 1.774 1.00 0.00 O ATOM 1659 CB VAL A 105 115.315 -2.134 4.108 1.00 0.00 C ATOM 1660 CG1 VAL A 105 116.524 -1.754 3.251 1.00 0.00 C ATOM 1661 CG2 VAL A 105 115.702 -2.075 5.588 1.00 0.00 C ATOM 0 H VAL A 105 112.393 -2.318 3.856 1.00 0.00 H new ATOM 0 HA VAL A 105 114.424 -0.190 4.285 1.00 0.00 H new ATOM 0 HB VAL A 105 114.994 -3.144 3.853 1.00 0.00 H new ATOM 0 HG11 VAL A 105 117.338 -2.453 3.440 1.00 0.00 H new ATOM 0 HG12 VAL A 105 116.249 -1.793 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 105 116.847 -0.744 3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 105 116.517 -2.773 5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 105 116.023 -1.064 5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 105 114.842 -2.346 6.200 1.00 0.00 H new ATOM 1671 N ARG A 106 114.817 -0.266 1.672 1.00 0.00 N ATOM 1672 CA ARG A 106 114.647 -0.082 0.203 1.00 0.00 C ATOM 1673 C ARG A 106 116.008 -0.177 -0.490 1.00 0.00 C ATOM 1674 O ARG A 106 116.987 0.386 -0.041 1.00 0.00 O ATOM 1675 CB ARG A 106 114.026 1.295 -0.067 1.00 0.00 C ATOM 1676 CG ARG A 106 112.863 1.156 -1.052 1.00 0.00 C ATOM 1677 CD ARG A 106 112.564 2.518 -1.682 1.00 0.00 C ATOM 1678 NE ARG A 106 112.560 3.565 -0.622 1.00 0.00 N ATOM 1679 CZ ARG A 106 111.954 4.701 -0.829 1.00 0.00 C ATOM 1680 NH1 ARG A 106 111.951 5.619 0.100 1.00 0.00 N ATOM 1681 NH2 ARG A 106 111.350 4.922 -1.965 1.00 0.00 N ATOM 0 H ARG A 106 115.620 0.211 2.082 1.00 0.00 H new ATOM 0 HA ARG A 106 113.992 -0.861 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 106 113.673 1.734 0.866 1.00 0.00 H new ATOM 0 HB3 ARG A 106 114.779 1.970 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 106 113.113 0.432 -1.827 1.00 0.00 H new ATOM 0 HG3 ARG A 106 111.979 0.779 -0.537 1.00 0.00 H new ATOM 0 HD2 ARG A 106 113.313 2.753 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 106 111.598 2.493 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 106 113.031 3.393 0.266 1.00 0.00 H new ATOM 0 HH11 ARG A 106 112.423 5.448 0.988 1.00 0.00 H new ATOM 0 HH12 ARG A 106 111.477 6.507 -0.062 1.00 0.00 H new ATOM 0 HH21 ARG A 106 111.352 4.206 -2.691 1.00 0.00 H new ATOM 0 HH22 ARG A 106 110.876 5.811 -2.126 1.00 0.00 H new ATOM 1695 N GLU A 107 116.076 -0.882 -1.586 1.00 0.00 N ATOM 1696 CA GLU A 107 117.368 -1.012 -2.315 1.00 0.00 C ATOM 1697 C GLU A 107 117.106 -0.916 -3.817 1.00 0.00 C ATOM 1698 O GLU A 107 116.005 -1.138 -4.276 1.00 0.00 O ATOM 1699 CB GLU A 107 118.016 -2.359 -1.990 1.00 0.00 C ATOM 1700 CG GLU A 107 118.250 -2.463 -0.483 1.00 0.00 C ATOM 1701 CD GLU A 107 118.791 -3.853 -0.144 1.00 0.00 C ATOM 1702 OE1 GLU A 107 119.007 -4.114 1.028 1.00 0.00 O ATOM 1703 OE2 GLU A 107 118.980 -4.633 -1.063 1.00 0.00 O ATOM 0 H GLU A 107 115.289 -1.375 -2.009 1.00 0.00 H new ATOM 0 HA GLU A 107 118.042 -0.212 -2.007 1.00 0.00 H new ATOM 0 HB2 GLU A 107 117.374 -3.174 -2.326 1.00 0.00 H new ATOM 0 HB3 GLU A 107 118.962 -2.458 -2.523 1.00 0.00 H new ATOM 0 HG2 GLU A 107 118.956 -1.698 -0.161 1.00 0.00 H new ATOM 0 HG3 GLU A 107 117.318 -2.283 0.053 1.00 0.00 H new ATOM 1710 N ILE A 108 118.106 -0.589 -4.587 1.00 0.00 N ATOM 1711 CA ILE A 108 117.919 -0.483 -6.045 1.00 0.00 C ATOM 1712 C ILE A 108 118.908 -1.421 -6.715 1.00 0.00 C ATOM 1713 O ILE A 108 119.977 -1.026 -7.133 1.00 0.00 O ATOM 1714 CB ILE A 108 118.187 0.949 -6.481 1.00 0.00 C ATOM 1715 CG1 ILE A 108 117.444 1.918 -5.552 1.00 0.00 C ATOM 1716 CG2 ILE A 108 117.692 1.119 -7.906 1.00 0.00 C ATOM 1717 CD1 ILE A 108 116.913 3.108 -6.355 1.00 0.00 C ATOM 0 H ILE A 108 119.051 -0.390 -4.257 1.00 0.00 H new ATOM 0 HA ILE A 108 116.900 -0.752 -6.324 1.00 0.00 H new ATOM 0 HB ILE A 108 119.255 1.163 -6.431 1.00 0.00 H new ATOM 0 HG12 ILE A 108 116.619 1.403 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 108 118.114 2.268 -4.767 1.00 0.00 H new ATOM 0 HG21 ILE A 108 117.876 2.141 -8.236 1.00 0.00 H new ATOM 0 HG22 ILE A 108 118.221 0.426 -8.560 1.00 0.00 H new ATOM 0 HG23 ILE A 108 116.623 0.912 -7.947 1.00 0.00 H new ATOM 0 HD11 ILE A 108 116.387 3.791 -5.688 1.00 0.00 H new ATOM 0 HD12 ILE A 108 117.746 3.630 -6.826 1.00 0.00 H new ATOM 0 HD13 ILE A 108 116.227 2.751 -7.124 1.00 0.00 H new ATOM 1729 N ILE A 109 118.563 -2.667 -6.801 1.00 0.00 N ATOM 1730 CA ILE A 109 119.489 -3.644 -7.426 1.00 0.00 C ATOM 1731 C ILE A 109 119.647 -3.308 -8.904 1.00 0.00 C ATOM 1732 O ILE A 109 118.900 -3.767 -9.745 1.00 0.00 O ATOM 1733 CB ILE A 109 118.926 -5.061 -7.267 1.00 0.00 C ATOM 1734 CG1 ILE A 109 119.248 -5.577 -5.861 1.00 0.00 C ATOM 1735 CG2 ILE A 109 119.558 -5.990 -8.308 1.00 0.00 C ATOM 1736 CD1 ILE A 109 118.537 -6.912 -5.631 1.00 0.00 C ATOM 0 H ILE A 109 117.681 -3.054 -6.466 1.00 0.00 H new ATOM 0 HA ILE A 109 120.462 -3.594 -6.938 1.00 0.00 H new ATOM 0 HB ILE A 109 117.846 -5.040 -7.414 1.00 0.00 H new ATOM 0 HG12 ILE A 109 120.325 -5.702 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 109 118.930 -4.850 -5.114 1.00 0.00 H new ATOM 0 HG21 ILE A 109 119.155 -6.996 -8.191 1.00 0.00 H new ATOM 0 HG22 ILE A 109 119.331 -5.623 -9.309 1.00 0.00 H new ATOM 0 HG23 ILE A 109 120.638 -6.014 -8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 109 118.766 -7.279 -4.631 1.00 0.00 H new ATOM 0 HD12 ILE A 109 117.460 -6.772 -5.728 1.00 0.00 H new ATOM 0 HD13 ILE A 109 118.877 -7.637 -6.370 1.00 0.00 H new ATOM 1748 N GLY A 110 120.629 -2.517 -9.221 1.00 0.00 N ATOM 1749 CA GLY A 110 120.869 -2.144 -10.644 1.00 0.00 C ATOM 1750 C GLY A 110 119.558 -1.730 -11.320 1.00 0.00 C ATOM 1751 O GLY A 110 119.267 -0.559 -11.460 1.00 0.00 O ATOM 0 H GLY A 110 121.282 -2.108 -8.552 1.00 0.00 H new ATOM 0 HA2 GLY A 110 121.586 -1.324 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 110 121.310 -2.986 -11.177 1.00 0.00 H new ATOM 1755 N ASP A 111 118.774 -2.680 -11.763 1.00 0.00 N ATOM 1756 CA ASP A 111 117.496 -2.337 -12.453 1.00 0.00 C ATOM 1757 C ASP A 111 116.299 -2.911 -11.690 1.00 0.00 C ATOM 1758 O ASP A 111 115.280 -3.226 -12.270 1.00 0.00 O ATOM 1759 CB ASP A 111 117.516 -2.909 -13.872 1.00 0.00 C ATOM 1760 CG ASP A 111 118.762 -2.410 -14.606 1.00 0.00 C ATOM 1761 OD1 ASP A 111 119.380 -1.479 -14.117 1.00 0.00 O ATOM 1762 OD2 ASP A 111 119.077 -2.967 -15.645 1.00 0.00 O ATOM 0 H ASP A 111 118.965 -3.678 -11.676 1.00 0.00 H new ATOM 0 HA ASP A 111 117.399 -1.252 -12.490 1.00 0.00 H new ATOM 0 HB2 ASP A 111 117.514 -3.998 -13.836 1.00 0.00 H new ATOM 0 HB3 ASP A 111 116.618 -2.606 -14.410 1.00 0.00 H new ATOM 1767 N GLU A 112 116.405 -3.043 -10.400 1.00 0.00 N ATOM 1768 CA GLU A 112 115.264 -3.588 -9.615 1.00 0.00 C ATOM 1769 C GLU A 112 115.145 -2.830 -8.289 1.00 0.00 C ATOM 1770 O GLU A 112 116.123 -2.612 -7.601 1.00 0.00 O ATOM 1771 CB GLU A 112 115.504 -5.073 -9.341 1.00 0.00 C ATOM 1772 CG GLU A 112 115.006 -5.898 -10.528 1.00 0.00 C ATOM 1773 CD GLU A 112 115.095 -7.387 -10.190 1.00 0.00 C ATOM 1774 OE1 GLU A 112 115.735 -7.713 -9.204 1.00 0.00 O ATOM 1775 OE2 GLU A 112 114.521 -8.176 -10.922 1.00 0.00 O ATOM 0 H GLU A 112 117.231 -2.798 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 112 114.340 -3.468 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 112 116.566 -5.256 -9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 112 114.984 -5.374 -8.431 1.00 0.00 H new ATOM 0 HG2 GLU A 112 113.976 -5.629 -10.765 1.00 0.00 H new ATOM 0 HG3 GLU A 112 115.604 -5.679 -11.413 1.00 0.00 H new ATOM 1782 N LEU A 113 113.954 -2.433 -7.916 1.00 0.00 N ATOM 1783 CA LEU A 113 113.788 -1.700 -6.626 1.00 0.00 C ATOM 1784 C LEU A 113 113.328 -2.693 -5.566 1.00 0.00 C ATOM 1785 O LEU A 113 112.220 -3.181 -5.607 1.00 0.00 O ATOM 1786 CB LEU A 113 112.740 -0.594 -6.783 1.00 0.00 C ATOM 1787 CG LEU A 113 113.053 0.564 -5.829 1.00 0.00 C ATOM 1788 CD1 LEU A 113 112.553 1.876 -6.438 1.00 0.00 C ATOM 1789 CD2 LEU A 113 112.352 0.328 -4.488 1.00 0.00 C ATOM 0 H LEU A 113 113.095 -2.584 -8.446 1.00 0.00 H new ATOM 0 HA LEU A 113 114.734 -1.245 -6.333 1.00 0.00 H new ATOM 0 HB2 LEU A 113 112.729 -0.235 -7.812 1.00 0.00 H new ATOM 0 HB3 LEU A 113 111.747 -0.991 -6.573 1.00 0.00 H new ATOM 0 HG LEU A 113 114.130 0.621 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 113 112.775 2.700 -5.760 1.00 0.00 H new ATOM 0 HD12 LEU A 113 113.051 2.047 -7.392 1.00 0.00 H new ATOM 0 HD13 LEU A 113 111.476 1.817 -6.596 1.00 0.00 H new ATOM 0 HD21 LEU A 113 112.575 1.152 -3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 113 111.275 0.270 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 113 112.706 -0.606 -4.052 1.00 0.00 H new ATOM 1801 N VAL A 114 114.166 -3.011 -4.624 1.00 0.00 N ATOM 1802 CA VAL A 114 113.755 -3.996 -3.591 1.00 0.00 C ATOM 1803 C VAL A 114 113.264 -3.277 -2.338 1.00 0.00 C ATOM 1804 O VAL A 114 114.000 -2.564 -1.688 1.00 0.00 O ATOM 1805 CB VAL A 114 114.942 -4.889 -3.230 1.00 0.00 C ATOM 1806 CG1 VAL A 114 114.432 -6.214 -2.660 1.00 0.00 C ATOM 1807 CG2 VAL A 114 115.776 -5.160 -4.483 1.00 0.00 C ATOM 0 H VAL A 114 115.109 -2.636 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 114 112.945 -4.605 -3.992 1.00 0.00 H new ATOM 0 HB VAL A 114 115.559 -4.388 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 114 115.279 -6.850 -2.403 1.00 0.00 H new ATOM 0 HG12 VAL A 114 113.839 -6.021 -1.766 1.00 0.00 H new ATOM 0 HG13 VAL A 114 113.814 -6.716 -3.404 1.00 0.00 H new ATOM 0 HG21 VAL A 114 116.623 -5.797 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 114 115.159 -5.660 -5.229 1.00 0.00 H new ATOM 0 HG23 VAL A 114 116.142 -4.216 -4.888 1.00 0.00 H new ATOM 1817 N GLN A 115 112.027 -3.483 -1.984 1.00 0.00 N ATOM 1818 CA GLN A 115 111.480 -2.840 -0.760 1.00 0.00 C ATOM 1819 C GLN A 115 111.025 -3.946 0.186 1.00 0.00 C ATOM 1820 O GLN A 115 110.014 -4.584 -0.033 1.00 0.00 O ATOM 1821 CB GLN A 115 110.290 -1.950 -1.128 1.00 0.00 C ATOM 1822 CG GLN A 115 109.884 -1.113 0.088 1.00 0.00 C ATOM 1823 CD GLN A 115 109.047 0.082 -0.370 1.00 0.00 C ATOM 1824 OE1 GLN A 115 109.537 1.192 -0.438 1.00 0.00 O ATOM 1825 NE2 GLN A 115 107.795 -0.099 -0.689 1.00 0.00 N ATOM 0 H GLN A 115 111.369 -4.072 -2.493 1.00 0.00 H new ATOM 0 HA GLN A 115 112.240 -2.221 -0.284 1.00 0.00 H new ATOM 0 HB2 GLN A 115 110.554 -1.298 -1.960 1.00 0.00 H new ATOM 0 HB3 GLN A 115 109.451 -2.563 -1.457 1.00 0.00 H new ATOM 0 HG2 GLN A 115 109.313 -1.723 0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 115 110.772 -0.767 0.617 1.00 0.00 H new ATOM 0 HE21 GLN A 115 107.384 -1.031 -0.632 1.00 0.00 H new ATOM 0 HE22 GLN A 115 107.227 0.691 -0.995 1.00 0.00 H new ATOM 1834 N THR A 116 111.771 -4.201 1.224 1.00 0.00 N ATOM 1835 CA THR A 116 111.385 -5.289 2.162 1.00 0.00 C ATOM 1836 C THR A 116 110.805 -4.701 3.442 1.00 0.00 C ATOM 1837 O THR A 116 111.224 -3.661 3.908 1.00 0.00 O ATOM 1838 CB THR A 116 112.618 -6.127 2.508 1.00 0.00 C ATOM 1839 OG1 THR A 116 113.538 -6.082 1.427 1.00 0.00 O ATOM 1840 CG2 THR A 116 112.205 -7.576 2.771 1.00 0.00 C ATOM 0 H THR A 116 112.629 -3.704 1.462 1.00 0.00 H new ATOM 0 HA THR A 116 110.633 -5.916 1.683 1.00 0.00 H new ATOM 0 HB THR A 116 113.088 -5.722 3.404 1.00 0.00 H new ATOM 0 HG1 THR A 116 114.329 -6.617 1.648 1.00 0.00 H new ATOM 0 HG21 THR A 116 113.087 -8.167 3.017 1.00 0.00 H new ATOM 0 HG22 THR A 116 111.503 -7.609 3.604 1.00 0.00 H new ATOM 0 HG23 THR A 116 111.730 -7.986 1.880 1.00 0.00 H new ATOM 1848 N TYR A 117 109.859 -5.378 4.024 1.00 0.00 N ATOM 1849 CA TYR A 117 109.261 -4.881 5.294 1.00 0.00 C ATOM 1850 C TYR A 117 109.342 -5.973 6.344 1.00 0.00 C ATOM 1851 O TYR A 117 109.300 -7.148 6.048 1.00 0.00 O ATOM 1852 CB TYR A 117 107.790 -4.491 5.115 1.00 0.00 C ATOM 1853 CG TYR A 117 107.568 -3.949 3.736 1.00 0.00 C ATOM 1854 CD1 TYR A 117 107.750 -4.785 2.644 1.00 0.00 C ATOM 1855 CD2 TYR A 117 107.175 -2.619 3.553 1.00 0.00 C ATOM 1856 CE1 TYR A 117 107.540 -4.301 1.349 1.00 0.00 C ATOM 1857 CE2 TYR A 117 106.964 -2.127 2.261 1.00 0.00 C ATOM 1858 CZ TYR A 117 107.147 -2.969 1.156 1.00 0.00 C ATOM 1859 OH TYR A 117 106.939 -2.489 -0.121 1.00 0.00 O ATOM 0 H TYR A 117 109.472 -6.255 3.676 1.00 0.00 H new ATOM 0 HA TYR A 117 109.820 -3.997 5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 117 107.152 -5.359 5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 117 107.510 -3.744 5.858 1.00 0.00 H new ATOM 0 HD1 TYR A 117 108.054 -5.810 2.794 1.00 0.00 H new ATOM 0 HD2 TYR A 117 107.035 -1.974 4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 117 107.680 -4.952 0.499 1.00 0.00 H new ATOM 0 HE2 TYR A 117 106.661 -1.101 2.115 1.00 0.00 H new ATOM 0 HH TYR A 117 107.463 -3.018 -0.759 1.00 0.00 H new ATOM 1869 N VAL A 118 109.429 -5.577 7.568 1.00 0.00 N ATOM 1870 CA VAL A 118 109.484 -6.558 8.685 1.00 0.00 C ATOM 1871 C VAL A 118 108.290 -6.328 9.576 1.00 0.00 C ATOM 1872 O VAL A 118 107.810 -5.219 9.726 1.00 0.00 O ATOM 1873 CB VAL A 118 110.745 -6.371 9.524 1.00 0.00 C ATOM 1874 CG1 VAL A 118 110.903 -7.557 10.484 1.00 0.00 C ATOM 1875 CG2 VAL A 118 111.971 -6.272 8.611 1.00 0.00 C ATOM 0 H VAL A 118 109.466 -4.599 7.855 1.00 0.00 H new ATOM 0 HA VAL A 118 109.487 -7.564 8.265 1.00 0.00 H new ATOM 0 HB VAL A 118 110.660 -5.450 10.100 1.00 0.00 H new ATOM 0 HG11 VAL A 118 111.804 -7.423 11.083 1.00 0.00 H new ATOM 0 HG12 VAL A 118 110.035 -7.611 11.141 1.00 0.00 H new ATOM 0 HG13 VAL A 118 110.983 -8.481 9.911 1.00 0.00 H new ATOM 0 HG21 VAL A 118 112.867 -6.139 9.218 1.00 0.00 H new ATOM 0 HG22 VAL A 118 112.063 -7.186 8.025 1.00 0.00 H new ATOM 0 HG23 VAL A 118 111.857 -5.421 7.940 1.00 0.00 H new ATOM 1885 N TYR A 119 107.805 -7.362 10.168 1.00 0.00 N ATOM 1886 CA TYR A 119 106.627 -7.201 11.050 1.00 0.00 C ATOM 1887 C TYR A 119 106.695 -8.167 12.234 1.00 0.00 C ATOM 1888 O TYR A 119 106.560 -9.366 12.094 1.00 0.00 O ATOM 1889 CB TYR A 119 105.357 -7.457 10.243 1.00 0.00 C ATOM 1890 CG TYR A 119 104.279 -6.507 10.695 1.00 0.00 C ATOM 1891 CD1 TYR A 119 103.552 -6.795 11.849 1.00 0.00 C ATOM 1892 CD2 TYR A 119 104.001 -5.350 9.959 1.00 0.00 C ATOM 1893 CE1 TYR A 119 102.537 -5.929 12.273 1.00 0.00 C ATOM 1894 CE2 TYR A 119 102.990 -4.480 10.382 1.00 0.00 C ATOM 1895 CZ TYR A 119 102.256 -4.770 11.539 1.00 0.00 C ATOM 1896 OH TYR A 119 101.256 -3.915 11.952 1.00 0.00 O ATOM 0 H TYR A 119 108.167 -8.312 10.084 1.00 0.00 H new ATOM 0 HA TYR A 119 106.618 -6.184 11.442 1.00 0.00 H new ATOM 0 HB2 TYR A 119 105.555 -7.321 9.180 1.00 0.00 H new ATOM 0 HB3 TYR A 119 105.029 -8.488 10.377 1.00 0.00 H new ATOM 0 HD1 TYR A 119 103.772 -7.687 12.417 1.00 0.00 H new ATOM 0 HD2 TYR A 119 104.566 -5.129 9.066 1.00 0.00 H new ATOM 0 HE1 TYR A 119 101.971 -6.155 13.165 1.00 0.00 H new ATOM 0 HE2 TYR A 119 102.776 -3.585 9.816 1.00 0.00 H new ATOM 0 HH TYR A 119 100.386 -4.270 11.674 1.00 0.00 H new ATOM 1906 N GLU A 120 106.888 -7.627 13.402 1.00 0.00 N ATOM 1907 CA GLU A 120 106.945 -8.456 14.641 1.00 0.00 C ATOM 1908 C GLU A 120 107.936 -9.600 14.485 1.00 0.00 C ATOM 1909 O GLU A 120 107.931 -10.548 15.245 1.00 0.00 O ATOM 1910 CB GLU A 120 105.556 -9.018 14.947 1.00 0.00 C ATOM 1911 CG GLU A 120 104.698 -7.933 15.597 1.00 0.00 C ATOM 1912 CD GLU A 120 104.996 -7.875 17.096 1.00 0.00 C ATOM 1913 OE1 GLU A 120 106.010 -8.421 17.499 1.00 0.00 O ATOM 1914 OE2 GLU A 120 104.206 -7.287 17.816 1.00 0.00 O ATOM 0 H GLU A 120 107.011 -6.626 13.556 1.00 0.00 H new ATOM 0 HA GLU A 120 107.276 -7.823 15.464 1.00 0.00 H new ATOM 0 HB2 GLU A 120 105.084 -9.369 14.029 1.00 0.00 H new ATOM 0 HB3 GLU A 120 105.638 -9.878 15.612 1.00 0.00 H new ATOM 0 HG2 GLU A 120 104.905 -6.967 15.137 1.00 0.00 H new ATOM 0 HG3 GLU A 120 103.641 -8.144 15.434 1.00 0.00 H new ATOM 1921 N GLY A 121 108.787 -9.518 13.515 1.00 0.00 N ATOM 1922 CA GLY A 121 109.790 -10.599 13.314 1.00 0.00 C ATOM 1923 C GLY A 121 109.473 -11.333 12.022 1.00 0.00 C ATOM 1924 O GLY A 121 109.793 -12.493 11.857 1.00 0.00 O ATOM 0 H GLY A 121 108.837 -8.749 12.847 1.00 0.00 H new ATOM 0 HA2 GLY A 121 110.794 -10.178 13.271 1.00 0.00 H new ATOM 0 HA3 GLY A 121 109.771 -11.292 14.155 1.00 0.00 H new ATOM 1928 N VAL A 122 108.865 -10.654 11.092 1.00 0.00 N ATOM 1929 CA VAL A 122 108.544 -11.288 9.800 1.00 0.00 C ATOM 1930 C VAL A 122 109.223 -10.479 8.728 1.00 0.00 C ATOM 1931 O VAL A 122 109.836 -9.469 9.002 1.00 0.00 O ATOM 1932 CB VAL A 122 107.039 -11.302 9.561 1.00 0.00 C ATOM 1933 CG1 VAL A 122 106.613 -10.054 8.789 1.00 0.00 C ATOM 1934 CG2 VAL A 122 106.664 -12.550 8.765 1.00 0.00 C ATOM 0 H VAL A 122 108.577 -9.679 11.179 1.00 0.00 H new ATOM 0 HA VAL A 122 108.888 -12.322 9.792 1.00 0.00 H new ATOM 0 HB VAL A 122 106.527 -11.312 10.523 1.00 0.00 H new ATOM 0 HG11 VAL A 122 105.536 -10.077 8.625 1.00 0.00 H new ATOM 0 HG12 VAL A 122 106.874 -9.165 9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 122 107.125 -10.028 7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 122 105.588 -12.562 8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 122 107.185 -12.541 7.807 1.00 0.00 H new ATOM 0 HG23 VAL A 122 106.952 -13.439 9.326 1.00 0.00 H new ATOM 1944 N GLU A 123 109.129 -10.897 7.518 1.00 0.00 N ATOM 1945 CA GLU A 123 109.796 -10.112 6.454 1.00 0.00 C ATOM 1946 C GLU A 123 109.139 -10.356 5.092 1.00 0.00 C ATOM 1947 O GLU A 123 109.150 -11.453 4.571 1.00 0.00 O ATOM 1948 CB GLU A 123 111.277 -10.505 6.387 1.00 0.00 C ATOM 1949 CG GLU A 123 112.142 -9.353 6.906 1.00 0.00 C ATOM 1950 CD GLU A 123 113.604 -9.800 6.968 1.00 0.00 C ATOM 1951 OE1 GLU A 123 113.955 -10.714 6.240 1.00 0.00 O ATOM 1952 OE2 GLU A 123 114.347 -9.220 7.743 1.00 0.00 O ATOM 0 H GLU A 123 108.630 -11.733 7.213 1.00 0.00 H new ATOM 0 HA GLU A 123 109.699 -9.053 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 123 111.452 -11.401 6.983 1.00 0.00 H new ATOM 0 HB3 GLU A 123 111.553 -10.746 5.360 1.00 0.00 H new ATOM 0 HG2 GLU A 123 112.043 -8.487 6.252 1.00 0.00 H new ATOM 0 HG3 GLU A 123 111.802 -9.046 7.895 1.00 0.00 H new ATOM 1959 N ALA A 124 108.604 -9.324 4.500 1.00 0.00 N ATOM 1960 CA ALA A 124 107.982 -9.466 3.153 1.00 0.00 C ATOM 1961 C ALA A 124 108.861 -8.713 2.152 1.00 0.00 C ATOM 1962 O ALA A 124 109.525 -7.761 2.509 1.00 0.00 O ATOM 1963 CB ALA A 124 106.571 -8.871 3.162 1.00 0.00 C ATOM 0 H ALA A 124 108.571 -8.383 4.893 1.00 0.00 H new ATOM 0 HA ALA A 124 107.906 -10.518 2.878 1.00 0.00 H new ATOM 0 HB1 ALA A 124 106.124 -8.979 2.174 1.00 0.00 H new ATOM 0 HB2 ALA A 124 105.960 -9.396 3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 124 106.624 -7.814 3.423 1.00 0.00 H new ATOM 1969 N LYS A 125 108.898 -9.129 0.913 1.00 0.00 N ATOM 1970 CA LYS A 125 109.771 -8.415 -0.063 1.00 0.00 C ATOM 1971 C LYS A 125 109.015 -8.089 -1.350 1.00 0.00 C ATOM 1972 O LYS A 125 108.263 -8.889 -1.870 1.00 0.00 O ATOM 1973 CB LYS A 125 110.980 -9.291 -0.398 1.00 0.00 C ATOM 1974 CG LYS A 125 112.141 -8.411 -0.880 1.00 0.00 C ATOM 1975 CD LYS A 125 113.461 -9.177 -0.747 1.00 0.00 C ATOM 1976 CE LYS A 125 113.609 -10.156 -1.914 1.00 0.00 C ATOM 1977 NZ LYS A 125 114.492 -11.286 -1.505 1.00 0.00 N ATOM 0 H LYS A 125 108.371 -9.919 0.540 1.00 0.00 H new ATOM 0 HA LYS A 125 110.095 -7.479 0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 125 111.283 -9.860 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 125 110.715 -10.014 -1.170 1.00 0.00 H new ATOM 0 HG2 LYS A 125 111.982 -8.119 -1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 125 112.182 -7.493 -0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 125 114.298 -8.479 -0.737 1.00 0.00 H new ATOM 0 HD3 LYS A 125 113.485 -9.718 0.199 1.00 0.00 H new ATOM 0 HE2 LYS A 125 112.631 -10.534 -2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 125 114.031 -9.646 -2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 115.210 -11.449 -2.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 114.962 -11.052 -0.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 113.921 -12.146 -1.382 1.00 0.00 H new ATOM 1991 N ARG A 126 109.238 -6.915 -1.871 1.00 0.00 N ATOM 1992 CA ARG A 126 108.572 -6.504 -3.141 1.00 0.00 C ATOM 1993 C ARG A 126 109.626 -5.881 -4.060 1.00 0.00 C ATOM 1994 O ARG A 126 110.200 -4.857 -3.749 1.00 0.00 O ATOM 1995 CB ARG A 126 107.479 -5.476 -2.841 1.00 0.00 C ATOM 1996 CG ARG A 126 106.445 -6.089 -1.894 1.00 0.00 C ATOM 1997 CD ARG A 126 105.431 -5.021 -1.480 1.00 0.00 C ATOM 1998 NE ARG A 126 104.287 -5.025 -2.435 1.00 0.00 N ATOM 1999 CZ ARG A 126 103.130 -4.548 -2.069 1.00 0.00 C ATOM 2000 NH1 ARG A 126 102.128 -4.554 -2.905 1.00 0.00 N ATOM 2001 NH2 ARG A 126 102.972 -4.067 -0.867 1.00 0.00 N ATOM 0 H ARG A 126 109.860 -6.214 -1.468 1.00 0.00 H new ATOM 0 HA ARG A 126 108.118 -7.370 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 126 107.917 -4.585 -2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 126 106.998 -5.161 -3.767 1.00 0.00 H new ATOM 0 HG2 ARG A 126 105.935 -6.918 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 126 106.940 -6.496 -1.012 1.00 0.00 H new ATOM 0 HD2 ARG A 126 105.075 -5.215 -0.468 1.00 0.00 H new ATOM 0 HD3 ARG A 126 105.905 -4.040 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 126 104.409 -5.401 -3.375 1.00 0.00 H new ATOM 0 HH11 ARG A 126 102.250 -4.932 -3.845 1.00 0.00 H new ATOM 0 HH12 ARG A 126 101.223 -4.181 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 126 103.754 -4.064 -0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 126 102.066 -3.694 -0.582 1.00 0.00 H new ATOM 2015 N ILE A 127 109.905 -6.499 -5.178 1.00 0.00 N ATOM 2016 CA ILE A 127 110.945 -5.943 -6.092 1.00 0.00 C ATOM 2017 C ILE A 127 110.293 -5.272 -7.304 1.00 0.00 C ATOM 2018 O ILE A 127 109.450 -5.844 -7.966 1.00 0.00 O ATOM 2019 CB ILE A 127 111.849 -7.080 -6.570 1.00 0.00 C ATOM 2020 CG1 ILE A 127 112.347 -7.887 -5.362 1.00 0.00 C ATOM 2021 CG2 ILE A 127 113.042 -6.496 -7.328 1.00 0.00 C ATOM 2022 CD1 ILE A 127 111.999 -9.365 -5.552 1.00 0.00 C ATOM 0 H ILE A 127 109.460 -7.360 -5.496 1.00 0.00 H new ATOM 0 HA ILE A 127 111.529 -5.198 -5.552 1.00 0.00 H new ATOM 0 HB ILE A 127 111.286 -7.738 -7.232 1.00 0.00 H new ATOM 0 HG12 ILE A 127 113.425 -7.768 -5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 127 111.890 -7.510 -4.447 1.00 0.00 H new ATOM 0 HG21 ILE A 127 113.688 -7.305 -7.669 1.00 0.00 H new ATOM 0 HG22 ILE A 127 112.685 -5.929 -8.188 1.00 0.00 H new ATOM 0 HG23 ILE A 127 113.605 -5.837 -6.668 1.00 0.00 H new ATOM 0 HD11 ILE A 127 112.353 -9.936 -4.694 1.00 0.00 H new ATOM 0 HD12 ILE A 127 110.918 -9.476 -5.640 1.00 0.00 H new ATOM 0 HD13 ILE A 127 112.477 -9.738 -6.458 1.00 0.00 H new ATOM 2034 N PHE A 128 110.687 -4.060 -7.605 1.00 0.00 N ATOM 2035 CA PHE A 128 110.099 -3.354 -8.784 1.00 0.00 C ATOM 2036 C PHE A 128 111.041 -3.474 -9.985 1.00 0.00 C ATOM 2037 O PHE A 128 112.122 -4.021 -9.897 1.00 0.00 O ATOM 2038 CB PHE A 128 109.896 -1.858 -8.492 1.00 0.00 C ATOM 2039 CG PHE A 128 109.154 -1.632 -7.190 1.00 0.00 C ATOM 2040 CD1 PHE A 128 108.446 -2.670 -6.589 1.00 0.00 C ATOM 2041 CD2 PHE A 128 109.163 -0.361 -6.598 1.00 0.00 C ATOM 2042 CE1 PHE A 128 107.745 -2.450 -5.398 1.00 0.00 C ATOM 2043 CE2 PHE A 128 108.464 -0.138 -5.404 1.00 0.00 C ATOM 2044 CZ PHE A 128 107.753 -1.183 -4.805 1.00 0.00 C ATOM 0 H PHE A 128 111.388 -3.530 -7.087 1.00 0.00 H new ATOM 0 HA PHE A 128 109.136 -3.818 -8.997 1.00 0.00 H new ATOM 0 HB2 PHE A 128 110.866 -1.362 -8.448 1.00 0.00 H new ATOM 0 HB3 PHE A 128 109.340 -1.400 -9.311 1.00 0.00 H new ATOM 0 HD1 PHE A 128 108.438 -3.649 -7.044 1.00 0.00 H new ATOM 0 HD2 PHE A 128 109.709 0.447 -7.063 1.00 0.00 H new ATOM 0 HE1 PHE A 128 107.198 -3.259 -4.936 1.00 0.00 H new ATOM 0 HE2 PHE A 128 108.474 0.840 -4.947 1.00 0.00 H new ATOM 0 HZ PHE A 128 107.211 -1.012 -3.886 1.00 0.00 H new ATOM 2054 N LYS A 129 110.626 -2.943 -11.105 1.00 0.00 N ATOM 2055 CA LYS A 129 111.463 -2.988 -12.338 1.00 0.00 C ATOM 2056 C LYS A 129 111.098 -1.792 -13.221 1.00 0.00 C ATOM 2057 O LYS A 129 109.957 -1.379 -13.283 1.00 0.00 O ATOM 2058 CB LYS A 129 111.193 -4.285 -13.100 1.00 0.00 C ATOM 2059 CG LYS A 129 112.025 -4.309 -14.384 1.00 0.00 C ATOM 2060 CD LYS A 129 113.509 -4.178 -14.038 1.00 0.00 C ATOM 2061 CE LYS A 129 114.351 -4.848 -15.125 1.00 0.00 C ATOM 2062 NZ LYS A 129 113.974 -6.286 -15.230 1.00 0.00 N ATOM 0 H LYS A 129 109.728 -2.473 -11.218 1.00 0.00 H new ATOM 0 HA LYS A 129 112.519 -2.948 -12.069 1.00 0.00 H new ATOM 0 HB2 LYS A 129 111.443 -5.144 -12.477 1.00 0.00 H new ATOM 0 HB3 LYS A 129 110.133 -4.363 -13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 129 111.849 -5.238 -14.926 1.00 0.00 H new ATOM 0 HG3 LYS A 129 111.721 -3.494 -15.041 1.00 0.00 H new ATOM 0 HD2 LYS A 129 113.781 -3.126 -13.950 1.00 0.00 H new ATOM 0 HD3 LYS A 129 113.710 -4.641 -13.072 1.00 0.00 H new ATOM 0 HE2 LYS A 129 114.193 -4.349 -16.081 1.00 0.00 H new ATOM 0 HE3 LYS A 129 115.411 -4.755 -14.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 114.818 -6.850 -15.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 113.576 -6.607 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 113.265 -6.405 -15.982 1.00 0.00 H new ATOM 2076 N LYS A 130 112.059 -1.224 -13.891 1.00 0.00 N ATOM 2077 CA LYS A 130 111.771 -0.043 -14.755 1.00 0.00 C ATOM 2078 C LYS A 130 110.540 -0.320 -15.619 1.00 0.00 C ATOM 2079 O LYS A 130 110.411 -1.371 -16.214 1.00 0.00 O ATOM 2080 CB LYS A 130 112.978 0.234 -15.658 1.00 0.00 C ATOM 2081 CG LYS A 130 113.183 -0.940 -16.623 1.00 0.00 C ATOM 2082 CD LYS A 130 112.636 -0.575 -18.006 1.00 0.00 C ATOM 2083 CE LYS A 130 112.918 -1.716 -18.984 1.00 0.00 C ATOM 2084 NZ LYS A 130 114.380 -1.773 -19.273 1.00 0.00 N ATOM 0 H LYS A 130 113.033 -1.525 -13.879 1.00 0.00 H new ATOM 0 HA LYS A 130 111.578 0.825 -14.125 1.00 0.00 H new ATOM 0 HB2 LYS A 130 112.821 1.155 -16.219 1.00 0.00 H new ATOM 0 HB3 LYS A 130 113.872 0.379 -15.052 1.00 0.00 H new ATOM 0 HG2 LYS A 130 114.243 -1.184 -16.694 1.00 0.00 H new ATOM 0 HG3 LYS A 130 112.676 -1.827 -16.244 1.00 0.00 H new ATOM 0 HD2 LYS A 130 111.564 -0.389 -17.947 1.00 0.00 H new ATOM 0 HD3 LYS A 130 113.100 0.345 -18.361 1.00 0.00 H new ATOM 0 HE2 LYS A 130 112.583 -2.663 -18.561 1.00 0.00 H new ATOM 0 HE3 LYS A 130 112.359 -1.564 -19.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 130 114.541 -2.322 -20.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 130 114.747 -0.808 -19.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 130 114.873 -2.229 -18.479 1.00 0.00 H new ATOM 2098 N ASP A 131 109.633 0.617 -15.688 1.00 0.00 N ATOM 2099 CA ASP A 131 108.410 0.407 -16.512 1.00 0.00 C ATOM 2100 C ASP A 131 107.672 1.738 -16.678 1.00 0.00 C ATOM 2101 O ASP A 131 108.326 2.720 -16.986 1.00 0.00 O ATOM 2102 CB ASP A 131 107.493 -0.600 -15.816 1.00 0.00 C ATOM 2103 CG ASP A 131 106.351 -0.988 -16.757 1.00 0.00 C ATOM 2104 OD1 ASP A 131 105.347 -0.295 -16.754 1.00 0.00 O ATOM 2105 OD2 ASP A 131 106.500 -1.971 -17.463 1.00 0.00 O ATOM 0 H ASP A 131 109.687 1.517 -15.210 1.00 0.00 H new ATOM 0 HA ASP A 131 108.694 0.024 -17.492 1.00 0.00 H new ATOM 0 HB2 ASP A 131 108.060 -1.486 -15.530 1.00 0.00 H new ATOM 0 HB3 ASP A 131 107.092 -0.169 -14.899 1.00 0.00 H new TER 2110 ASP A 131