USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 819 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ -118:sc= -1.72 (180deg=-2.4) USER MOD Single : A 2 SER OG : rot 109:sc= 1.18 USER MOD Single : A 4 SER OG : rot 180:sc= -0.453 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot 1:sc= -0.849 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl -149:sc= -1.72 (180deg=-3.05!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 86:sc= -0.369 USER MOD Single : A 22 ASN : amide:sc= -0.314 K(o=-0.31,f=-2.8!) USER MOD Single : A 25 HIS : no HD1:sc= -4.55 K(o=-4.5,f=-3.1!) USER MOD Single : A 28 MET CE :methyl 158:sc= -4.98! (180deg=-6.64!) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= 0.329 K(o=0.33,f=-2!) USER MOD Single : A 54 SER OG : rot -106:sc= -2.57! USER MOD Single : A 56 SER OG : rot -150:sc= 0 USER MOD Single : A 59 THR OG1 : rot 112:sc= 0.364 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -1.03 K(o=-1,f=-3.1!) USER MOD Single : A 69 ASN : amide:sc= -0.195 K(o=-0.2,f=-4.7!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 99:sc= 1.3 USER MOD Single : A 84 ASN : amide:sc= -1.96 K(o=-2,f=-14!) USER MOD Single : A 86 ASN : amide:sc= -4.55 K(o=-4.5,f=-9.5!) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 84:sc= -0.787 USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.128) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc=0.000628 USER MOD Single : A 104 ASN : amide:sc= -0.279 X(o=-0.28,f=-0.43) USER MOD Single : A 106 ASN : amide:sc=-0.00256 K(o=-0.0026,f=-0.9) USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -0.549 X(o=-0.55,f=-0.25) USER MOD Single : A 113 SER OG : rot 180:sc= -0.0505 USER MOD Single : A 114 ASN : amide:sc= -0.981 K(o=-0.98,f=-1.6!) USER MOD Single : A 117 ASN : amide:sc= -1.98 K(o=-2,f=-2.8!) USER MOD Single : A 120 ASN : amide:sc= -1.06 K(o=-1.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 90.418 -3.492 13.763 1.00 0.00 N ATOM 2 CA VAL A 1 90.293 -3.750 12.300 1.00 0.00 C ATOM 3 C VAL A 1 91.555 -4.445 11.780 1.00 0.00 C ATOM 4 O VAL A 1 92.656 -4.156 12.217 1.00 0.00 O ATOM 5 CB VAL A 1 90.122 -2.369 11.653 1.00 0.00 C ATOM 6 CG1 VAL A 1 88.862 -1.695 12.202 1.00 0.00 C ATOM 7 CG2 VAL A 1 91.334 -1.493 11.960 1.00 0.00 C ATOM 0 H1 VAL A 1 89.673 -4.010 14.272 1.00 0.00 H new ATOM 0 H2 VAL A 1 91.350 -3.813 14.094 1.00 0.00 H new ATOM 0 H3 VAL A 1 90.318 -2.473 13.946 1.00 0.00 H new ATOM 0 HA VAL A 1 89.452 -4.404 12.068 1.00 0.00 H new ATOM 0 HB VAL A 1 90.032 -2.495 10.574 1.00 0.00 H new ATOM 0 HG11 VAL A 1 88.743 -0.715 11.741 1.00 0.00 H new ATOM 0 HG12 VAL A 1 87.992 -2.311 11.975 1.00 0.00 H new ATOM 0 HG13 VAL A 1 88.953 -1.579 13.282 1.00 0.00 H new ATOM 0 HG21 VAL A 1 91.203 -0.515 11.496 1.00 0.00 H new ATOM 0 HG22 VAL A 1 91.432 -1.373 13.039 1.00 0.00 H new ATOM 0 HG23 VAL A 1 92.233 -1.965 11.564 1.00 0.00 H new ATOM 17 N SER A 2 91.401 -5.370 10.870 1.00 0.00 N ATOM 18 CA SER A 2 92.585 -6.099 10.328 1.00 0.00 C ATOM 19 C SER A 2 92.800 -5.748 8.854 1.00 0.00 C ATOM 20 O SER A 2 91.860 -5.626 8.090 1.00 0.00 O ATOM 21 CB SER A 2 92.249 -7.579 10.484 1.00 0.00 C ATOM 22 OG SER A 2 93.326 -8.359 9.980 1.00 0.00 O ATOM 0 H SER A 2 90.503 -5.653 10.477 1.00 0.00 H new ATOM 0 HA SER A 2 93.503 -5.834 10.852 1.00 0.00 H new ATOM 0 HB2 SER A 2 92.073 -7.816 11.533 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.331 -7.814 9.946 1.00 0.00 H new ATOM 0 HG SER A 2 93.797 -8.787 10.725 1.00 0.00 H new ATOM 28 N ILE A 3 94.035 -5.582 8.456 1.00 0.00 N ATOM 29 CA ILE A 3 94.332 -5.239 7.035 1.00 0.00 C ATOM 30 C ILE A 3 94.946 -6.436 6.307 1.00 0.00 C ATOM 31 O ILE A 3 95.693 -7.208 6.879 1.00 0.00 O ATOM 32 CB ILE A 3 95.339 -4.079 7.084 1.00 0.00 C ATOM 33 CG1 ILE A 3 96.627 -4.515 7.796 1.00 0.00 C ATOM 34 CG2 ILE A 3 94.723 -2.891 7.830 1.00 0.00 C ATOM 35 CD1 ILE A 3 97.706 -3.454 7.579 1.00 0.00 C ATOM 0 H ILE A 3 94.854 -5.670 9.058 1.00 0.00 H new ATOM 0 HA ILE A 3 93.424 -4.966 6.497 1.00 0.00 H new ATOM 0 HB ILE A 3 95.582 -3.786 6.062 1.00 0.00 H new ATOM 0 HG12 ILE A 3 96.440 -4.648 8.862 1.00 0.00 H new ATOM 0 HG13 ILE A 3 96.963 -5.477 7.409 1.00 0.00 H new ATOM 0 HG21 ILE A 3 95.440 -2.071 7.863 1.00 0.00 H new ATOM 0 HG22 ILE A 3 93.821 -2.564 7.312 1.00 0.00 H new ATOM 0 HG23 ILE A 3 94.469 -3.192 8.846 1.00 0.00 H new ATOM 0 HD11 ILE A 3 98.623 -3.759 8.083 1.00 0.00 H new ATOM 0 HD12 ILE A 3 97.898 -3.343 6.512 1.00 0.00 H new ATOM 0 HD13 ILE A 3 97.367 -2.502 7.987 1.00 0.00 H new ATOM 47 N SER A 4 94.643 -6.580 5.047 1.00 0.00 N ATOM 48 CA SER A 4 95.205 -7.704 4.247 1.00 0.00 C ATOM 49 C SER A 4 95.459 -7.197 2.828 1.00 0.00 C ATOM 50 O SER A 4 95.288 -6.023 2.555 1.00 0.00 O ATOM 51 CB SER A 4 94.126 -8.785 4.253 1.00 0.00 C ATOM 52 OG SER A 4 94.228 -9.540 5.454 1.00 0.00 O ATOM 0 H SER A 4 94.021 -5.958 4.531 1.00 0.00 H new ATOM 0 HA SER A 4 96.144 -8.091 4.644 1.00 0.00 H new ATOM 0 HB2 SER A 4 93.138 -8.330 4.178 1.00 0.00 H new ATOM 0 HB3 SER A 4 94.243 -9.438 3.388 1.00 0.00 H new ATOM 0 HG SER A 4 93.536 -10.234 5.464 1.00 0.00 H new ATOM 58 N TYR A 5 95.848 -8.054 1.920 1.00 0.00 N ATOM 59 CA TYR A 5 96.084 -7.582 0.524 1.00 0.00 C ATOM 60 C TYR A 5 95.599 -8.617 -0.496 1.00 0.00 C ATOM 61 O TYR A 5 95.678 -9.810 -0.264 1.00 0.00 O ATOM 62 CB TYR A 5 97.602 -7.386 0.412 1.00 0.00 C ATOM 63 CG TYR A 5 98.321 -8.694 0.665 1.00 0.00 C ATOM 64 CD1 TYR A 5 98.497 -9.609 -0.381 1.00 0.00 C ATOM 65 CD2 TYR A 5 98.812 -8.989 1.941 1.00 0.00 C ATOM 66 CE1 TYR A 5 99.163 -10.817 -0.150 1.00 0.00 C ATOM 67 CE2 TYR A 5 99.479 -10.197 2.172 1.00 0.00 C ATOM 68 CZ TYR A 5 99.656 -11.112 1.127 1.00 0.00 C ATOM 69 OH TYR A 5 100.314 -12.303 1.356 1.00 0.00 O ATOM 0 H TYR A 5 96.011 -9.048 2.082 1.00 0.00 H new ATOM 0 HA TYR A 5 95.537 -6.663 0.315 1.00 0.00 H new ATOM 0 HB2 TYR A 5 97.855 -7.010 -0.579 1.00 0.00 H new ATOM 0 HB3 TYR A 5 97.933 -6.636 1.131 1.00 0.00 H new ATOM 0 HD1 TYR A 5 98.118 -9.381 -1.366 1.00 0.00 H new ATOM 0 HD2 TYR A 5 98.676 -8.284 2.748 1.00 0.00 H new ATOM 0 HE1 TYR A 5 99.297 -11.522 -0.957 1.00 0.00 H new ATOM 0 HE2 TYR A 5 99.858 -10.424 3.158 1.00 0.00 H new ATOM 0 HH TYR A 5 100.592 -12.348 2.295 1.00 0.00 H new ATOM 79 N ASP A 6 95.126 -8.170 -1.635 1.00 0.00 N ATOM 80 CA ASP A 6 94.669 -9.128 -2.686 1.00 0.00 C ATOM 81 C ASP A 6 95.416 -8.832 -3.999 1.00 0.00 C ATOM 82 O ASP A 6 95.727 -7.692 -4.278 1.00 0.00 O ATOM 83 CB ASP A 6 93.166 -8.889 -2.837 1.00 0.00 C ATOM 84 CG ASP A 6 92.394 -9.998 -2.119 1.00 0.00 C ATOM 85 OD1 ASP A 6 92.860 -10.443 -1.084 1.00 0.00 O1- ATOM 86 OD2 ASP A 6 91.351 -10.386 -2.621 1.00 0.00 O ATOM 0 H ASP A 6 95.038 -7.184 -1.880 1.00 0.00 H new ATOM 0 HA ASP A 6 94.870 -10.167 -2.426 1.00 0.00 H new ATOM 0 HB2 ASP A 6 92.899 -7.918 -2.421 1.00 0.00 H new ATOM 0 HB3 ASP A 6 92.895 -8.869 -3.893 1.00 0.00 H new ATOM 91 N PRO A 7 95.712 -9.867 -4.756 1.00 0.00 N ATOM 92 CA PRO A 7 96.464 -9.684 -6.023 1.00 0.00 C ATOM 93 C PRO A 7 95.560 -9.266 -7.196 1.00 0.00 C ATOM 94 O PRO A 7 96.054 -8.914 -8.251 1.00 0.00 O ATOM 95 CB PRO A 7 97.054 -11.065 -6.282 1.00 0.00 C ATOM 96 CG PRO A 7 96.147 -12.034 -5.581 1.00 0.00 C ATOM 97 CD PRO A 7 95.390 -11.281 -4.514 1.00 0.00 C ATOM 0 HA PRO A 7 97.205 -8.889 -5.940 1.00 0.00 H new ATOM 0 HB2 PRO A 7 97.101 -11.276 -7.350 1.00 0.00 H new ATOM 0 HB3 PRO A 7 98.072 -11.134 -5.898 1.00 0.00 H new ATOM 0 HG2 PRO A 7 95.455 -12.488 -6.290 1.00 0.00 H new ATOM 0 HG3 PRO A 7 96.726 -12.844 -5.137 1.00 0.00 H new ATOM 0 HD2 PRO A 7 94.318 -11.461 -4.587 1.00 0.00 H new ATOM 0 HD3 PRO A 7 95.698 -11.592 -3.516 1.00 0.00 H new ATOM 105 N ILE A 8 94.259 -9.309 -7.042 1.00 0.00 N ATOM 106 CA ILE A 8 93.365 -8.922 -8.183 1.00 0.00 C ATOM 107 C ILE A 8 93.432 -7.416 -8.459 1.00 0.00 C ATOM 108 O ILE A 8 93.416 -7.001 -9.603 1.00 0.00 O ATOM 109 CB ILE A 8 91.947 -9.362 -7.791 1.00 0.00 C ATOM 110 CG1 ILE A 8 91.486 -8.645 -6.519 1.00 0.00 C ATOM 111 CG2 ILE A 8 91.931 -10.871 -7.551 1.00 0.00 C ATOM 112 CD1 ILE A 8 90.008 -8.947 -6.282 1.00 0.00 C ATOM 0 H ILE A 8 93.780 -9.592 -6.187 1.00 0.00 H new ATOM 0 HA ILE A 8 93.679 -9.407 -9.107 1.00 0.00 H new ATOM 0 HB ILE A 8 91.268 -9.104 -8.604 1.00 0.00 H new ATOM 0 HG12 ILE A 8 92.079 -8.975 -5.666 1.00 0.00 H new ATOM 0 HG13 ILE A 8 91.639 -7.570 -6.617 1.00 0.00 H new ATOM 0 HG21 ILE A 8 90.925 -11.184 -7.273 1.00 0.00 H new ATOM 0 HG22 ILE A 8 92.233 -11.388 -8.462 1.00 0.00 H new ATOM 0 HG23 ILE A 8 92.624 -11.119 -6.747 1.00 0.00 H new ATOM 0 HD11 ILE A 8 89.673 -8.439 -5.377 1.00 0.00 H new ATOM 0 HD12 ILE A 8 89.424 -8.596 -7.133 1.00 0.00 H new ATOM 0 HD13 ILE A 8 89.870 -10.022 -6.167 1.00 0.00 H new ATOM 124 N TYR A 9 93.481 -6.594 -7.442 1.00 0.00 N ATOM 125 CA TYR A 9 93.518 -5.120 -7.686 1.00 0.00 C ATOM 126 C TYR A 9 94.879 -4.669 -8.219 1.00 0.00 C ATOM 127 O TYR A 9 95.605 -3.915 -7.612 1.00 0.00 O ATOM 128 CB TYR A 9 93.149 -4.449 -6.368 1.00 0.00 C ATOM 129 CG TYR A 9 91.730 -4.823 -6.019 1.00 0.00 C ATOM 130 CD1 TYR A 9 90.694 -4.544 -6.920 1.00 0.00 C ATOM 131 CD2 TYR A 9 91.449 -5.457 -4.804 1.00 0.00 C ATOM 132 CE1 TYR A 9 89.379 -4.898 -6.606 1.00 0.00 C ATOM 133 CE2 TYR A 9 90.131 -5.812 -4.491 1.00 0.00 C ATOM 134 CZ TYR A 9 89.098 -5.533 -5.393 1.00 0.00 C ATOM 135 OH TYR A 9 87.803 -5.892 -5.088 1.00 0.00 O ATOM 0 H TYR A 9 93.497 -6.876 -6.462 1.00 0.00 H new ATOM 0 HA TYR A 9 92.807 -4.833 -8.461 1.00 0.00 H new ATOM 0 HB2 TYR A 9 93.829 -4.767 -5.578 1.00 0.00 H new ATOM 0 HB3 TYR A 9 93.245 -3.367 -6.455 1.00 0.00 H new ATOM 0 HD1 TYR A 9 90.912 -4.055 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 9 92.247 -5.672 -4.109 1.00 0.00 H new ATOM 0 HE1 TYR A 9 88.581 -4.681 -7.300 1.00 0.00 H new ATOM 0 HE2 TYR A 9 89.912 -6.301 -3.553 1.00 0.00 H new ATOM 0 HH TYR A 9 87.211 -5.639 -5.827 1.00 0.00 H new ATOM 145 N ALA A 10 95.160 -5.104 -9.418 1.00 0.00 N ATOM 146 CA ALA A 10 96.401 -4.709 -10.140 1.00 0.00 C ATOM 147 C ALA A 10 96.028 -3.656 -11.186 1.00 0.00 C ATOM 148 O ALA A 10 94.875 -3.298 -11.340 1.00 0.00 O ATOM 149 CB ALA A 10 96.945 -5.984 -10.787 1.00 0.00 C ATOM 0 H ALA A 10 94.558 -5.739 -9.943 1.00 0.00 H new ATOM 0 HA ALA A 10 97.159 -4.277 -9.487 1.00 0.00 H new ATOM 0 HB1 ALA A 10 97.860 -5.753 -11.333 1.00 0.00 H new ATOM 0 HB2 ALA A 10 97.160 -6.721 -10.014 1.00 0.00 H new ATOM 0 HB3 ALA A 10 96.203 -6.387 -11.476 1.00 0.00 H new ATOM 155 N ALA A 11 97.013 -3.099 -11.836 1.00 0.00 N ATOM 156 CA ALA A 11 96.760 -1.988 -12.805 1.00 0.00 C ATOM 157 C ALA A 11 95.773 -2.357 -13.919 1.00 0.00 C ATOM 158 O ALA A 11 95.098 -1.480 -14.430 1.00 0.00 O ATOM 159 CB ALA A 11 98.133 -1.642 -13.392 1.00 0.00 C ATOM 0 H ALA A 11 97.992 -3.367 -11.738 1.00 0.00 H new ATOM 0 HA ALA A 11 96.293 -1.147 -12.293 1.00 0.00 H new ATOM 0 HB1 ALA A 11 98.027 -0.832 -14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 11 98.803 -1.329 -12.591 1.00 0.00 H new ATOM 0 HB3 ALA A 11 98.548 -2.519 -13.889 1.00 0.00 H new ATOM 165 N ASP A 12 95.688 -3.599 -14.343 1.00 0.00 N ATOM 166 CA ASP A 12 94.742 -3.902 -15.466 1.00 0.00 C ATOM 167 C ASP A 12 93.340 -4.269 -14.962 1.00 0.00 C ATOM 168 O ASP A 12 92.512 -4.741 -15.718 1.00 0.00 O ATOM 169 CB ASP A 12 95.375 -5.055 -16.244 1.00 0.00 C ATOM 170 CG ASP A 12 96.623 -4.565 -16.986 1.00 0.00 C ATOM 171 OD1 ASP A 12 96.689 -3.384 -17.292 1.00 0.00 O ATOM 172 OD2 ASP A 12 97.493 -5.382 -17.241 1.00 0.00 O1- ATOM 0 H ASP A 12 96.214 -4.391 -13.974 1.00 0.00 H new ATOM 0 HA ASP A 12 94.596 -3.025 -16.096 1.00 0.00 H new ATOM 0 HB2 ASP A 12 95.641 -5.862 -15.561 1.00 0.00 H new ATOM 0 HB3 ASP A 12 94.656 -5.463 -16.955 1.00 0.00 H new ATOM 177 N LEU A 13 93.066 -4.057 -13.702 1.00 0.00 N ATOM 178 CA LEU A 13 91.715 -4.392 -13.151 1.00 0.00 C ATOM 179 C LEU A 13 90.664 -3.463 -13.753 1.00 0.00 C ATOM 180 O LEU A 13 90.731 -2.258 -13.602 1.00 0.00 O ATOM 181 CB LEU A 13 91.831 -4.145 -11.640 1.00 0.00 C ATOM 182 CG LEU A 13 90.828 -5.018 -10.871 1.00 0.00 C ATOM 183 CD1 LEU A 13 89.399 -4.726 -11.340 1.00 0.00 C ATOM 184 CD2 LEU A 13 91.149 -6.497 -11.103 1.00 0.00 C ATOM 0 H LEU A 13 93.721 -3.665 -13.026 1.00 0.00 H new ATOM 0 HA LEU A 13 91.417 -5.415 -13.379 1.00 0.00 H new ATOM 0 HB2 LEU A 13 92.845 -4.367 -11.307 1.00 0.00 H new ATOM 0 HB3 LEU A 13 91.647 -3.093 -11.423 1.00 0.00 H new ATOM 0 HG LEU A 13 90.906 -4.788 -9.808 1.00 0.00 H new ATOM 0 HD11 LEU A 13 88.699 -5.352 -10.786 1.00 0.00 H new ATOM 0 HD12 LEU A 13 89.165 -3.676 -11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 13 89.314 -4.942 -12.405 1.00 0.00 H new ATOM 0 HD21 LEU A 13 90.436 -7.114 -10.556 1.00 0.00 H new ATOM 0 HD22 LEU A 13 91.082 -6.721 -12.168 1.00 0.00 H new ATOM 0 HD23 LEU A 13 92.158 -6.710 -10.750 1.00 0.00 H new ATOM 196 N SER A 14 89.695 -4.018 -14.436 1.00 0.00 N ATOM 197 CA SER A 14 88.639 -3.166 -15.050 1.00 0.00 C ATOM 198 C SER A 14 87.749 -2.568 -13.959 1.00 0.00 C ATOM 199 O SER A 14 87.374 -3.225 -13.008 1.00 0.00 O ATOM 200 CB SER A 14 87.844 -4.082 -15.975 1.00 0.00 C ATOM 201 OG SER A 14 88.645 -4.429 -17.096 1.00 0.00 O ATOM 0 H SER A 14 89.592 -5.021 -14.593 1.00 0.00 H new ATOM 0 HA SER A 14 89.061 -2.329 -15.606 1.00 0.00 H new ATOM 0 HB2 SER A 14 87.538 -4.981 -15.440 1.00 0.00 H new ATOM 0 HB3 SER A 14 86.933 -3.582 -16.305 1.00 0.00 H new ATOM 0 HG SER A 14 88.137 -5.019 -17.691 1.00 0.00 H new ATOM 207 N MET A 15 87.431 -1.311 -14.096 1.00 0.00 N ATOM 208 CA MET A 15 86.582 -0.615 -13.077 1.00 0.00 C ATOM 209 C MET A 15 85.171 -1.214 -13.012 1.00 0.00 C ATOM 210 O MET A 15 84.473 -1.046 -12.030 1.00 0.00 O ATOM 211 CB MET A 15 86.512 0.843 -13.541 1.00 0.00 C ATOM 212 CG MET A 15 87.894 1.494 -13.431 1.00 0.00 C ATOM 213 SD MET A 15 88.383 1.604 -11.692 1.00 0.00 S ATOM 214 CE MET A 15 87.086 2.750 -11.164 1.00 0.00 C ATOM 0 H MET A 15 87.725 -0.726 -14.878 1.00 0.00 H new ATOM 0 HA MET A 15 87.005 -0.718 -12.078 1.00 0.00 H new ATOM 0 HB2 MET A 15 86.160 0.889 -14.572 1.00 0.00 H new ATOM 0 HB3 MET A 15 85.793 1.392 -12.934 1.00 0.00 H new ATOM 0 HG2 MET A 15 88.627 0.910 -13.988 1.00 0.00 H new ATOM 0 HG3 MET A 15 87.874 2.489 -13.876 1.00 0.00 H new ATOM 0 HE1 MET A 15 87.460 3.373 -10.352 1.00 0.00 H new ATOM 0 HE2 MET A 15 86.796 3.382 -12.003 1.00 0.00 H new ATOM 0 HE3 MET A 15 86.220 2.185 -10.819 1.00 0.00 H new ATOM 224 N GLY A 16 84.729 -1.879 -14.049 1.00 0.00 N ATOM 225 CA GLY A 16 83.349 -2.454 -14.054 1.00 0.00 C ATOM 226 C GLY A 16 83.242 -3.664 -13.124 1.00 0.00 C ATOM 227 O GLY A 16 82.151 -4.090 -12.792 1.00 0.00 O ATOM 0 H GLY A 16 85.268 -2.050 -14.898 1.00 0.00 H new ATOM 0 HA2 GLY A 16 82.635 -1.691 -13.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 83.080 -2.749 -15.068 1.00 0.00 H new ATOM 231 N SER A 17 84.345 -4.238 -12.716 1.00 0.00 N ATOM 232 CA SER A 17 84.276 -5.436 -11.828 1.00 0.00 C ATOM 233 C SER A 17 84.267 -5.049 -10.344 1.00 0.00 C ATOM 234 O SER A 17 84.139 -5.905 -9.487 1.00 0.00 O ATOM 235 CB SER A 17 85.530 -6.243 -12.157 1.00 0.00 C ATOM 236 OG SER A 17 85.503 -6.615 -13.528 1.00 0.00 O ATOM 0 H SER A 17 85.287 -3.930 -12.959 1.00 0.00 H new ATOM 0 HA SER A 17 83.357 -5.998 -11.996 1.00 0.00 H new ATOM 0 HB2 SER A 17 86.422 -5.653 -11.946 1.00 0.00 H new ATOM 0 HB3 SER A 17 85.580 -7.132 -11.528 1.00 0.00 H new ATOM 0 HG SER A 17 86.308 -7.132 -13.743 1.00 0.00 H new ATOM 242 N VAL A 18 84.412 -3.786 -10.020 1.00 0.00 N ATOM 243 CA VAL A 18 84.423 -3.386 -8.581 1.00 0.00 C ATOM 244 C VAL A 18 83.061 -2.808 -8.170 1.00 0.00 C ATOM 245 O VAL A 18 82.218 -2.533 -9.001 1.00 0.00 O ATOM 246 CB VAL A 18 85.533 -2.331 -8.478 1.00 0.00 C ATOM 247 CG1 VAL A 18 85.208 -1.127 -9.375 1.00 0.00 C ATOM 248 CG2 VAL A 18 85.664 -1.868 -7.028 1.00 0.00 C ATOM 0 H VAL A 18 84.522 -3.021 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 18 84.604 -4.229 -7.915 1.00 0.00 H new ATOM 0 HB VAL A 18 86.473 -2.773 -8.808 1.00 0.00 H new ATOM 0 HG11 VAL A 18 86.003 -0.386 -9.292 1.00 0.00 H new ATOM 0 HG12 VAL A 18 85.125 -1.457 -10.411 1.00 0.00 H new ATOM 0 HG13 VAL A 18 84.264 -0.682 -9.059 1.00 0.00 H new ATOM 0 HG21 VAL A 18 86.452 -1.119 -6.955 1.00 0.00 H new ATOM 0 HG22 VAL A 18 84.720 -1.435 -6.698 1.00 0.00 H new ATOM 0 HG23 VAL A 18 85.913 -2.720 -6.395 1.00 0.00 H new ATOM 258 N ALA A 19 82.845 -2.626 -6.889 1.00 0.00 N ATOM 259 CA ALA A 19 81.539 -2.067 -6.411 1.00 0.00 C ATOM 260 C ALA A 19 81.314 -0.676 -7.010 1.00 0.00 C ATOM 261 O ALA A 19 80.231 -0.349 -7.450 1.00 0.00 O ATOM 262 CB ALA A 19 81.677 -1.980 -4.889 1.00 0.00 C ATOM 0 H ALA A 19 83.517 -2.841 -6.152 1.00 0.00 H new ATOM 0 HA ALA A 19 80.691 -2.684 -6.707 1.00 0.00 H new ATOM 0 HB1 ALA A 19 80.758 -1.578 -4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 19 81.861 -2.975 -4.483 1.00 0.00 H new ATOM 0 HB3 ALA A 19 82.511 -1.325 -4.636 1.00 0.00 H new ATOM 268 N CYS A 20 82.336 0.135 -7.037 1.00 0.00 N ATOM 269 CA CYS A 20 82.203 1.504 -7.619 1.00 0.00 C ATOM 270 C CYS A 20 82.298 1.410 -9.147 1.00 0.00 C ATOM 271 O CYS A 20 83.287 1.799 -9.742 1.00 0.00 O ATOM 272 CB CYS A 20 83.387 2.285 -7.054 1.00 0.00 C ATOM 273 SG CYS A 20 83.113 2.596 -5.294 1.00 0.00 S ATOM 0 H CYS A 20 83.264 -0.092 -6.679 1.00 0.00 H new ATOM 0 HA CYS A 20 81.254 1.982 -7.377 1.00 0.00 H new ATOM 0 HB2 CYS A 20 84.310 1.722 -7.196 1.00 0.00 H new ATOM 0 HB3 CYS A 20 83.503 3.228 -7.588 1.00 0.00 H new ATOM 278 N SER A 21 81.281 0.885 -9.781 1.00 0.00 N ATOM 279 CA SER A 21 81.305 0.747 -11.267 1.00 0.00 C ATOM 280 C SER A 21 80.550 1.907 -11.910 1.00 0.00 C ATOM 281 O SER A 21 81.146 2.839 -12.418 1.00 0.00 O ATOM 282 CB SER A 21 80.619 -0.589 -11.560 1.00 0.00 C ATOM 283 OG SER A 21 81.606 -1.598 -11.727 1.00 0.00 O ATOM 0 H SER A 21 80.431 0.545 -9.331 1.00 0.00 H new ATOM 0 HA SER A 21 82.317 0.769 -11.671 1.00 0.00 H new ATOM 0 HB2 SER A 21 79.948 -0.853 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 21 80.009 -0.508 -12.460 1.00 0.00 H new ATOM 0 HG SER A 21 81.848 -1.967 -10.852 1.00 0.00 H new ATOM 289 N ASN A 22 79.244 1.860 -11.885 1.00 0.00 N ATOM 290 CA ASN A 22 78.445 2.961 -12.487 1.00 0.00 C ATOM 291 C ASN A 22 77.424 3.469 -11.469 1.00 0.00 C ATOM 292 O ASN A 22 77.220 2.876 -10.427 1.00 0.00 O ATOM 293 CB ASN A 22 77.748 2.343 -13.698 1.00 0.00 C ATOM 294 CG ASN A 22 78.779 2.039 -14.789 1.00 0.00 C ATOM 295 OD1 ASN A 22 79.842 2.628 -14.820 1.00 0.00 O ATOM 296 ND2 ASN A 22 78.507 1.136 -15.691 1.00 0.00 N ATOM 0 H ASN A 22 78.698 1.104 -11.472 1.00 0.00 H new ATOM 0 HA ASN A 22 79.060 3.812 -12.778 1.00 0.00 H new ATOM 0 HB2 ASN A 22 77.234 1.428 -13.405 1.00 0.00 H new ATOM 0 HB3 ASN A 22 76.990 3.026 -14.081 1.00 0.00 H new ATOM 0 HD21 ASN A 22 79.186 0.924 -16.422 1.00 0.00 H new ATOM 0 HD22 ASN A 22 77.615 0.642 -15.665 1.00 0.00 H new ATOM 303 N GLY A 23 76.805 4.579 -11.758 1.00 0.00 N ATOM 304 CA GLY A 23 75.817 5.166 -10.812 1.00 0.00 C ATOM 305 C GLY A 23 76.304 6.561 -10.423 1.00 0.00 C ATOM 306 O GLY A 23 77.050 7.185 -11.155 1.00 0.00 O ATOM 0 H GLY A 23 76.943 5.110 -12.618 1.00 0.00 H new ATOM 0 HA2 GLY A 23 74.832 5.222 -11.276 1.00 0.00 H new ATOM 0 HA3 GLY A 23 75.717 4.537 -9.927 1.00 0.00 H new ATOM 310 N ASP A 24 75.907 7.053 -9.277 1.00 0.00 N ATOM 311 CA ASP A 24 76.371 8.408 -8.845 1.00 0.00 C ATOM 312 C ASP A 24 77.859 8.366 -8.480 1.00 0.00 C ATOM 313 O ASP A 24 78.613 9.254 -8.829 1.00 0.00 O ATOM 314 CB ASP A 24 75.525 8.754 -7.617 1.00 0.00 C ATOM 315 CG ASP A 24 75.763 10.213 -7.207 1.00 0.00 C ATOM 316 OD1 ASP A 24 76.788 10.763 -7.582 1.00 0.00 O ATOM 317 OD2 ASP A 24 74.914 10.758 -6.521 1.00 0.00 O1- ATOM 0 H ASP A 24 75.284 6.578 -8.624 1.00 0.00 H new ATOM 0 HA ASP A 24 76.258 9.151 -9.635 1.00 0.00 H new ATOM 0 HB2 ASP A 24 74.469 8.598 -7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 24 75.780 8.090 -6.791 1.00 0.00 H new ATOM 322 N HIS A 25 78.285 7.345 -7.777 1.00 0.00 N ATOM 323 CA HIS A 25 79.730 7.251 -7.381 1.00 0.00 C ATOM 324 C HIS A 25 80.527 6.448 -8.414 1.00 0.00 C ATOM 325 O HIS A 25 81.705 6.205 -8.229 1.00 0.00 O ATOM 326 CB HIS A 25 79.776 6.503 -6.042 1.00 0.00 C ATOM 327 CG HIS A 25 78.776 7.062 -5.071 1.00 0.00 C ATOM 328 ND1 HIS A 25 78.810 8.375 -4.631 1.00 0.00 N ATOM 329 CD2 HIS A 25 77.710 6.480 -4.444 1.00 0.00 C ATOM 330 CE1 HIS A 25 77.786 8.538 -3.773 1.00 0.00 C ATOM 331 NE2 HIS A 25 77.081 7.412 -3.625 1.00 0.00 N ATOM 0 H HIS A 25 77.698 6.573 -7.460 1.00 0.00 H new ATOM 0 HA HIS A 25 80.164 8.249 -7.312 1.00 0.00 H new ATOM 0 HB2 HIS A 25 79.574 5.445 -6.207 1.00 0.00 H new ATOM 0 HB3 HIS A 25 80.777 6.574 -5.617 1.00 0.00 H new ATOM 0 HD2 HIS A 25 77.403 5.452 -4.566 1.00 0.00 H new ATOM 0 HE1 HIS A 25 77.561 9.465 -3.266 1.00 0.00 H new ATOM 0 HE2 HIS A 25 76.259 7.267 -3.038 1.00 0.00 H new ATOM 339 N GLY A 26 79.908 6.022 -9.494 1.00 0.00 N ATOM 340 CA GLY A 26 80.652 5.225 -10.517 1.00 0.00 C ATOM 341 C GLY A 26 81.873 6.006 -10.995 1.00 0.00 C ATOM 342 O GLY A 26 81.780 7.157 -11.378 1.00 0.00 O ATOM 0 H GLY A 26 78.925 6.193 -9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 26 80.963 4.271 -10.092 1.00 0.00 H new ATOM 0 HA3 GLY A 26 80.000 5.000 -11.361 1.00 0.00 H new ATOM 346 N LEU A 27 83.009 5.371 -10.986 1.00 0.00 N ATOM 347 CA LEU A 27 84.255 6.046 -11.453 1.00 0.00 C ATOM 348 C LEU A 27 84.579 5.624 -12.896 1.00 0.00 C ATOM 349 O LEU A 27 85.519 6.110 -13.493 1.00 0.00 O ATOM 350 CB LEU A 27 85.346 5.580 -10.487 1.00 0.00 C ATOM 351 CG LEU A 27 84.983 6.008 -9.062 1.00 0.00 C ATOM 352 CD1 LEU A 27 85.985 5.409 -8.068 1.00 0.00 C ATOM 353 CD2 LEU A 27 85.016 7.537 -8.967 1.00 0.00 C ATOM 0 H LEU A 27 83.132 4.408 -10.674 1.00 0.00 H new ATOM 0 HA LEU A 27 84.162 7.132 -11.459 1.00 0.00 H new ATOM 0 HB2 LEU A 27 85.452 4.496 -10.537 1.00 0.00 H new ATOM 0 HB3 LEU A 27 86.307 6.008 -10.773 1.00 0.00 H new ATOM 0 HG LEU A 27 83.983 5.649 -8.821 1.00 0.00 H new ATOM 0 HD11 LEU A 27 85.722 5.717 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 27 85.958 4.321 -8.135 1.00 0.00 H new ATOM 0 HD13 LEU A 27 86.988 5.762 -8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 27 84.758 7.844 -7.954 1.00 0.00 H new ATOM 0 HD22 LEU A 27 86.016 7.895 -9.211 1.00 0.00 H new ATOM 0 HD23 LEU A 27 84.297 7.961 -9.669 1.00 0.00 H new ATOM 365 N MET A 28 83.799 4.731 -13.461 1.00 0.00 N ATOM 366 CA MET A 28 84.043 4.281 -14.864 1.00 0.00 C ATOM 367 C MET A 28 83.959 5.469 -15.827 1.00 0.00 C ATOM 368 O MET A 28 84.689 5.544 -16.796 1.00 0.00 O ATOM 369 CB MET A 28 82.928 3.271 -15.164 1.00 0.00 C ATOM 370 CG MET A 28 83.076 2.736 -16.592 1.00 0.00 C ATOM 371 SD MET A 28 84.538 1.673 -16.699 1.00 0.00 S ATOM 372 CE MET A 28 83.913 0.324 -15.670 1.00 0.00 C ATOM 0 H MET A 28 82.999 4.293 -13.004 1.00 0.00 H new ATOM 0 HA MET A 28 85.033 3.842 -14.985 1.00 0.00 H new ATOM 0 HB2 MET A 28 82.971 2.447 -14.452 1.00 0.00 H new ATOM 0 HB3 MET A 28 81.954 3.746 -15.044 1.00 0.00 H new ATOM 0 HG2 MET A 28 82.185 2.175 -16.874 1.00 0.00 H new ATOM 0 HG3 MET A 28 83.166 3.565 -17.294 1.00 0.00 H new ATOM 0 HE1 MET A 28 84.457 -0.592 -15.901 1.00 0.00 H new ATOM 0 HE2 MET A 28 84.052 0.574 -14.618 1.00 0.00 H new ATOM 0 HE3 MET A 28 82.852 0.175 -15.870 1.00 0.00 H new ATOM 382 N ALA A 29 83.038 6.368 -15.589 1.00 0.00 N ATOM 383 CA ALA A 29 82.859 7.529 -16.518 1.00 0.00 C ATOM 384 C ALA A 29 84.175 8.285 -16.763 1.00 0.00 C ATOM 385 O ALA A 29 84.771 8.173 -17.818 1.00 0.00 O ATOM 386 CB ALA A 29 81.843 8.442 -15.831 1.00 0.00 C ATOM 0 H ALA A 29 82.402 6.350 -14.792 1.00 0.00 H new ATOM 0 HA ALA A 29 82.524 7.191 -17.499 1.00 0.00 H new ATOM 0 HB1 ALA A 29 81.661 9.317 -16.454 1.00 0.00 H new ATOM 0 HB2 ALA A 29 80.909 7.900 -15.683 1.00 0.00 H new ATOM 0 HB3 ALA A 29 82.235 8.760 -14.865 1.00 0.00 H new ATOM 392 N GLN A 30 84.624 9.063 -15.804 1.00 0.00 N ATOM 393 CA GLN A 30 85.895 9.839 -15.992 1.00 0.00 C ATOM 394 C GLN A 30 87.117 8.917 -16.005 1.00 0.00 C ATOM 395 O GLN A 30 88.039 9.107 -16.776 1.00 0.00 O ATOM 396 CB GLN A 30 85.965 10.780 -14.792 1.00 0.00 C ATOM 397 CG GLN A 30 84.889 11.848 -14.929 1.00 0.00 C ATOM 398 CD GLN A 30 84.953 12.797 -13.730 1.00 0.00 C ATOM 399 OE1 GLN A 30 86.024 13.154 -13.280 1.00 0.00 O ATOM 400 NE2 GLN A 30 83.844 13.224 -13.189 1.00 0.00 N ATOM 0 H GLN A 30 84.167 9.194 -14.902 1.00 0.00 H new ATOM 0 HA GLN A 30 85.898 10.369 -16.944 1.00 0.00 H new ATOM 0 HB2 GLN A 30 85.823 10.220 -13.867 1.00 0.00 H new ATOM 0 HB3 GLN A 30 86.950 11.244 -14.736 1.00 0.00 H new ATOM 0 HG2 GLN A 30 85.031 12.405 -15.855 1.00 0.00 H new ATOM 0 HG3 GLN A 30 83.905 11.382 -14.985 1.00 0.00 H new ATOM 0 HE21 GLN A 30 82.945 12.925 -13.566 1.00 0.00 H new ATOM 0 HE22 GLN A 30 83.877 13.857 -12.390 1.00 0.00 H new ATOM 409 N TYR A 31 87.139 7.941 -15.138 1.00 0.00 N ATOM 410 CA TYR A 31 88.309 7.019 -15.067 1.00 0.00 C ATOM 411 C TYR A 31 87.860 5.565 -15.270 1.00 0.00 C ATOM 412 O TYR A 31 87.595 4.868 -14.312 1.00 0.00 O ATOM 413 CB TYR A 31 88.878 7.223 -13.662 1.00 0.00 C ATOM 414 CG TYR A 31 89.406 8.633 -13.539 1.00 0.00 C ATOM 415 CD1 TYR A 31 90.721 8.924 -13.922 1.00 0.00 C ATOM 416 CD2 TYR A 31 88.580 9.651 -13.046 1.00 0.00 C ATOM 417 CE1 TYR A 31 91.210 10.232 -13.811 1.00 0.00 C ATOM 418 CE2 TYR A 31 89.069 10.958 -12.935 1.00 0.00 C ATOM 419 CZ TYR A 31 90.384 11.249 -13.318 1.00 0.00 C ATOM 420 OH TYR A 31 90.865 12.537 -13.209 1.00 0.00 O ATOM 0 H TYR A 31 86.393 7.742 -14.472 1.00 0.00 H new ATOM 0 HA TYR A 31 89.048 7.224 -15.841 1.00 0.00 H new ATOM 0 HB2 TYR A 31 88.105 7.045 -12.914 1.00 0.00 H new ATOM 0 HB3 TYR A 31 89.676 6.505 -13.472 1.00 0.00 H new ATOM 0 HD1 TYR A 31 91.358 8.140 -14.303 1.00 0.00 H new ATOM 0 HD2 TYR A 31 87.565 9.428 -12.751 1.00 0.00 H new ATOM 0 HE1 TYR A 31 92.225 10.456 -14.106 1.00 0.00 H new ATOM 0 HE2 TYR A 31 88.432 11.742 -12.554 1.00 0.00 H new ATOM 0 HH TYR A 31 90.163 13.119 -12.851 1.00 0.00 H new ATOM 430 N PRO A 32 87.778 5.146 -16.516 1.00 0.00 N ATOM 431 CA PRO A 32 87.345 3.758 -16.815 1.00 0.00 C ATOM 432 C PRO A 32 88.421 2.736 -16.420 1.00 0.00 C ATOM 433 O PRO A 32 88.186 1.542 -16.470 1.00 0.00 O ATOM 434 CB PRO A 32 87.129 3.763 -18.326 1.00 0.00 C ATOM 435 CG PRO A 32 87.993 4.868 -18.838 1.00 0.00 C ATOM 436 CD PRO A 32 88.077 5.902 -17.746 1.00 0.00 C ATOM 0 HA PRO A 32 86.453 3.472 -16.258 1.00 0.00 H new ATOM 0 HB2 PRO A 32 87.409 2.807 -18.768 1.00 0.00 H new ATOM 0 HB3 PRO A 32 86.081 3.934 -18.574 1.00 0.00 H new ATOM 0 HG2 PRO A 32 88.985 4.495 -19.094 1.00 0.00 H new ATOM 0 HG3 PRO A 32 87.571 5.299 -19.746 1.00 0.00 H new ATOM 0 HD2 PRO A 32 89.066 6.358 -17.704 1.00 0.00 H new ATOM 0 HD3 PRO A 32 87.360 6.708 -17.903 1.00 0.00 H new ATOM 444 N THR A 33 89.595 3.180 -16.031 1.00 0.00 N ATOM 445 CA THR A 33 90.668 2.217 -15.642 1.00 0.00 C ATOM 446 C THR A 33 91.263 2.608 -14.285 1.00 0.00 C ATOM 447 O THR A 33 91.413 3.773 -13.972 1.00 0.00 O ATOM 448 CB THR A 33 91.722 2.335 -16.741 1.00 0.00 C ATOM 449 OG1 THR A 33 91.085 2.307 -18.011 1.00 0.00 O ATOM 450 CG2 THR A 33 92.701 1.165 -16.638 1.00 0.00 C ATOM 0 H THR A 33 89.852 4.165 -15.967 1.00 0.00 H new ATOM 0 HA THR A 33 90.293 1.198 -15.543 1.00 0.00 H new ATOM 0 HB THR A 33 92.264 3.273 -16.625 1.00 0.00 H new ATOM 0 HG1 THR A 33 91.760 2.384 -18.717 1.00 0.00 H new ATOM 0 HG21 THR A 33 93.453 1.250 -17.423 1.00 0.00 H new ATOM 0 HG22 THR A 33 93.189 1.184 -15.664 1.00 0.00 H new ATOM 0 HG23 THR A 33 92.160 0.226 -16.754 1.00 0.00 H new ATOM 458 N LEU A 34 91.595 1.632 -13.483 1.00 0.00 N ATOM 459 CA LEU A 34 92.178 1.913 -12.133 1.00 0.00 C ATOM 460 C LEU A 34 93.639 2.353 -12.257 1.00 0.00 C ATOM 461 O LEU A 34 94.477 1.600 -12.717 1.00 0.00 O ATOM 462 CB LEU A 34 92.096 0.569 -11.398 1.00 0.00 C ATOM 463 CG LEU A 34 92.665 0.696 -9.980 1.00 0.00 C ATOM 464 CD1 LEU A 34 91.727 1.538 -9.110 1.00 0.00 C ATOM 465 CD2 LEU A 34 92.804 -0.703 -9.371 1.00 0.00 C ATOM 0 H LEU A 34 91.487 0.642 -13.705 1.00 0.00 H new ATOM 0 HA LEU A 34 91.651 2.713 -11.614 1.00 0.00 H new ATOM 0 HB2 LEU A 34 91.059 0.236 -11.352 1.00 0.00 H new ATOM 0 HB3 LEU A 34 92.650 -0.189 -11.952 1.00 0.00 H new ATOM 0 HG LEU A 34 93.639 1.183 -10.024 1.00 0.00 H new ATOM 0 HD11 LEU A 34 92.140 1.622 -8.105 1.00 0.00 H new ATOM 0 HD12 LEU A 34 91.623 2.533 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 34 90.749 1.060 -9.061 1.00 0.00 H new ATOM 0 HD21 LEU A 34 93.208 -0.622 -8.362 1.00 0.00 H new ATOM 0 HD22 LEU A 34 91.826 -1.182 -9.333 1.00 0.00 H new ATOM 0 HD23 LEU A 34 93.477 -1.302 -9.985 1.00 0.00 H new ATOM 477 N GLY A 35 93.957 3.551 -11.845 1.00 0.00 N ATOM 478 CA GLY A 35 95.374 4.023 -11.933 1.00 0.00 C ATOM 479 C GLY A 35 95.431 5.545 -12.125 1.00 0.00 C ATOM 480 O GLY A 35 96.350 6.059 -12.737 1.00 0.00 O ATOM 0 H GLY A 35 93.299 4.224 -11.451 1.00 0.00 H new ATOM 0 HA2 GLY A 35 95.911 3.746 -11.026 1.00 0.00 H new ATOM 0 HA3 GLY A 35 95.876 3.528 -12.764 1.00 0.00 H new ATOM 484 N GLU A 36 94.469 6.270 -11.609 1.00 0.00 N ATOM 485 CA GLU A 36 94.475 7.751 -11.756 1.00 0.00 C ATOM 486 C GLU A 36 93.710 8.401 -10.607 1.00 0.00 C ATOM 487 O GLU A 36 94.221 9.273 -9.930 1.00 0.00 O ATOM 488 CB GLU A 36 93.765 8.012 -13.078 1.00 0.00 C ATOM 489 CG GLU A 36 94.795 8.203 -14.188 1.00 0.00 C ATOM 490 CD GLU A 36 94.083 8.592 -15.485 1.00 0.00 C ATOM 491 OE1 GLU A 36 93.689 7.696 -16.214 1.00 0.00 O1- ATOM 492 OE2 GLU A 36 93.945 9.779 -15.729 1.00 0.00 O ATOM 0 H GLU A 36 93.676 5.893 -11.090 1.00 0.00 H new ATOM 0 HA GLU A 36 95.484 8.164 -11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 36 93.107 7.177 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 36 93.137 8.899 -12.995 1.00 0.00 H new ATOM 0 HG2 GLU A 36 95.509 8.977 -13.907 1.00 0.00 H new ATOM 0 HG3 GLU A 36 95.362 7.284 -14.334 1.00 0.00 H new ATOM 499 N VAL A 37 92.493 7.978 -10.376 1.00 0.00 N ATOM 500 CA VAL A 37 91.696 8.570 -9.256 1.00 0.00 C ATOM 501 C VAL A 37 92.442 8.311 -7.922 1.00 0.00 C ATOM 502 O VAL A 37 92.831 9.247 -7.252 1.00 0.00 O ATOM 503 CB VAL A 37 90.318 7.874 -9.351 1.00 0.00 C ATOM 504 CG1 VAL A 37 89.617 7.839 -7.991 1.00 0.00 C ATOM 505 CG2 VAL A 37 89.442 8.643 -10.342 1.00 0.00 C ATOM 0 H VAL A 37 92.017 7.252 -10.911 1.00 0.00 H new ATOM 0 HA VAL A 37 91.565 9.651 -9.310 1.00 0.00 H new ATOM 0 HB VAL A 37 90.472 6.848 -9.685 1.00 0.00 H new ATOM 0 HG11 VAL A 37 88.651 7.344 -8.092 1.00 0.00 H new ATOM 0 HG12 VAL A 37 90.233 7.291 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 37 89.466 8.857 -7.633 1.00 0.00 H new ATOM 0 HG21 VAL A 37 88.467 8.161 -10.417 1.00 0.00 H new ATOM 0 HG22 VAL A 37 89.314 9.668 -9.995 1.00 0.00 H new ATOM 0 HG23 VAL A 37 89.920 8.649 -11.322 1.00 0.00 H new ATOM 515 N PRO A 38 92.661 7.052 -7.598 1.00 0.00 N ATOM 516 CA PRO A 38 93.415 6.713 -6.363 1.00 0.00 C ATOM 517 C PRO A 38 94.897 7.023 -6.580 1.00 0.00 C ATOM 518 O PRO A 38 95.621 7.379 -5.672 1.00 0.00 O ATOM 519 CB PRO A 38 93.216 5.205 -6.222 1.00 0.00 C ATOM 520 CG PRO A 38 92.934 4.718 -7.603 1.00 0.00 C ATOM 521 CD PRO A 38 92.242 5.841 -8.327 1.00 0.00 C ATOM 0 HA PRO A 38 93.085 7.268 -5.485 1.00 0.00 H new ATOM 0 HB2 PRO A 38 94.105 4.727 -5.810 1.00 0.00 H new ATOM 0 HB3 PRO A 38 92.390 4.978 -5.548 1.00 0.00 H new ATOM 0 HG2 PRO A 38 93.858 4.441 -8.111 1.00 0.00 H new ATOM 0 HG3 PRO A 38 92.305 3.828 -7.578 1.00 0.00 H new ATOM 0 HD2 PRO A 38 92.540 5.883 -9.375 1.00 0.00 H new ATOM 0 HD3 PRO A 38 91.159 5.719 -8.309 1.00 0.00 H new ATOM 529 N GLY A 39 95.339 6.862 -7.797 1.00 0.00 N ATOM 530 CA GLY A 39 96.765 7.106 -8.146 1.00 0.00 C ATOM 531 C GLY A 39 97.265 5.896 -8.935 1.00 0.00 C ATOM 532 O GLY A 39 97.565 5.993 -10.108 1.00 0.00 O ATOM 0 H GLY A 39 94.757 6.565 -8.580 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.863 8.016 -8.738 1.00 0.00 H new ATOM 0 HA3 GLY A 39 97.361 7.247 -7.244 1.00 0.00 H new ATOM 536 N PHE A 40 97.296 4.750 -8.284 1.00 0.00 N ATOM 537 CA PHE A 40 97.716 3.440 -8.918 1.00 0.00 C ATOM 538 C PHE A 40 98.061 2.390 -7.827 1.00 0.00 C ATOM 539 O PHE A 40 97.510 1.307 -7.839 1.00 0.00 O ATOM 540 CB PHE A 40 98.921 3.705 -9.875 1.00 0.00 C ATOM 541 CG PHE A 40 99.649 2.416 -10.240 1.00 0.00 C ATOM 542 CD1 PHE A 40 98.934 1.225 -10.445 1.00 0.00 C ATOM 543 CD2 PHE A 40 101.043 2.422 -10.380 1.00 0.00 C ATOM 544 CE1 PHE A 40 99.613 0.048 -10.785 1.00 0.00 C ATOM 545 CE2 PHE A 40 101.721 1.244 -10.721 1.00 0.00 C ATOM 546 CZ PHE A 40 101.005 0.059 -10.924 1.00 0.00 C ATOM 0 H PHE A 40 97.038 4.662 -7.301 1.00 0.00 H new ATOM 0 HA PHE A 40 96.893 3.028 -9.502 1.00 0.00 H new ATOM 0 HB2 PHE A 40 98.564 4.190 -10.783 1.00 0.00 H new ATOM 0 HB3 PHE A 40 99.619 4.394 -9.399 1.00 0.00 H new ATOM 0 HD1 PHE A 40 97.859 1.216 -10.340 1.00 0.00 H new ATOM 0 HD2 PHE A 40 101.596 3.336 -10.225 1.00 0.00 H new ATOM 0 HE1 PHE A 40 99.062 -0.868 -10.940 1.00 0.00 H new ATOM 0 HE2 PHE A 40 102.796 1.251 -10.827 1.00 0.00 H new ATOM 0 HZ PHE A 40 101.528 -0.848 -11.188 1.00 0.00 H new ATOM 556 N PRO A 41 98.982 2.716 -6.930 1.00 0.00 N ATOM 557 CA PRO A 41 99.401 1.765 -5.876 1.00 0.00 C ATOM 558 C PRO A 41 98.735 2.087 -4.529 1.00 0.00 C ATOM 559 O PRO A 41 99.142 1.582 -3.500 1.00 0.00 O ATOM 560 CB PRO A 41 100.897 2.051 -5.775 1.00 0.00 C ATOM 561 CG PRO A 41 101.068 3.476 -6.247 1.00 0.00 C ATOM 562 CD PRO A 41 99.734 3.957 -6.776 1.00 0.00 C ATOM 0 HA PRO A 41 99.139 0.732 -6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 41 101.251 1.932 -4.751 1.00 0.00 H new ATOM 0 HB3 PRO A 41 101.471 1.361 -6.393 1.00 0.00 H new ATOM 0 HG2 PRO A 41 101.404 4.111 -5.427 1.00 0.00 H new ATOM 0 HG3 PRO A 41 101.829 3.531 -7.026 1.00 0.00 H new ATOM 0 HD2 PRO A 41 99.247 4.642 -6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 41 99.841 4.486 -7.723 1.00 0.00 H new ATOM 570 N ASN A 42 97.735 2.928 -4.524 1.00 0.00 N ATOM 571 CA ASN A 42 97.064 3.294 -3.245 1.00 0.00 C ATOM 572 C ASN A 42 95.581 2.954 -3.341 1.00 0.00 C ATOM 573 O ASN A 42 94.725 3.743 -2.986 1.00 0.00 O ATOM 574 CB ASN A 42 97.264 4.805 -3.128 1.00 0.00 C ATOM 575 CG ASN A 42 98.716 5.098 -2.748 1.00 0.00 C ATOM 576 OD1 ASN A 42 99.530 5.398 -3.598 1.00 0.00 O ATOM 577 ND2 ASN A 42 99.076 5.025 -1.496 1.00 0.00 N ATOM 0 H ASN A 42 97.353 3.379 -5.356 1.00 0.00 H new ATOM 0 HA ASN A 42 97.464 2.763 -2.381 1.00 0.00 H new ATOM 0 HB2 ASN A 42 97.019 5.289 -4.073 1.00 0.00 H new ATOM 0 HB3 ASN A 42 96.590 5.215 -2.376 1.00 0.00 H new ATOM 0 HD21 ASN A 42 100.041 5.220 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 42 98.392 4.773 -0.783 1.00 0.00 H new ATOM 584 N VAL A 43 95.281 1.785 -3.835 1.00 0.00 N ATOM 585 CA VAL A 43 93.861 1.373 -3.986 1.00 0.00 C ATOM 586 C VAL A 43 93.628 0.018 -3.307 1.00 0.00 C ATOM 587 O VAL A 43 94.460 -0.876 -3.350 1.00 0.00 O ATOM 588 CB VAL A 43 93.623 1.305 -5.502 1.00 0.00 C ATOM 589 CG1 VAL A 43 94.466 0.187 -6.129 1.00 0.00 C ATOM 590 CG2 VAL A 43 92.134 1.052 -5.776 1.00 0.00 C ATOM 0 H VAL A 43 95.965 1.094 -4.142 1.00 0.00 H new ATOM 0 HA VAL A 43 93.168 2.069 -3.513 1.00 0.00 H new ATOM 0 HB VAL A 43 93.920 2.254 -5.949 1.00 0.00 H new ATOM 0 HG11 VAL A 43 94.285 0.153 -7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.523 0.381 -5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 43 94.190 -0.769 -5.685 1.00 0.00 H new ATOM 0 HG21 VAL A 43 91.965 1.004 -6.852 1.00 0.00 H new ATOM 0 HG22 VAL A 43 91.835 0.109 -5.319 1.00 0.00 H new ATOM 0 HG23 VAL A 43 91.543 1.864 -5.352 1.00 0.00 H new ATOM 600 N GLY A 44 92.497 -0.119 -2.670 1.00 0.00 N ATOM 601 CA GLY A 44 92.171 -1.388 -1.965 1.00 0.00 C ATOM 602 C GLY A 44 90.698 -1.383 -1.548 1.00 0.00 C ATOM 603 O GLY A 44 90.013 -0.387 -1.664 1.00 0.00 O ATOM 0 H GLY A 44 91.779 0.603 -2.608 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.372 -2.239 -2.616 1.00 0.00 H new ATOM 0 HA3 GLY A 44 92.807 -1.501 -1.087 1.00 0.00 H new ATOM 607 N GLY A 45 90.221 -2.488 -1.035 1.00 0.00 N ATOM 608 CA GLY A 45 88.804 -2.564 -0.582 1.00 0.00 C ATOM 609 C GLY A 45 88.718 -2.084 0.867 1.00 0.00 C ATOM 610 O GLY A 45 89.699 -2.088 1.586 1.00 0.00 O ATOM 0 H GLY A 45 90.758 -3.346 -0.911 1.00 0.00 H new ATOM 0 HA2 GLY A 45 88.171 -1.948 -1.221 1.00 0.00 H new ATOM 0 HA3 GLY A 45 88.438 -3.587 -0.662 1.00 0.00 H new ATOM 614 N ILE A 46 87.553 -1.686 1.302 1.00 0.00 N ATOM 615 CA ILE A 46 87.391 -1.212 2.712 1.00 0.00 C ATOM 616 C ILE A 46 85.927 -1.441 3.170 1.00 0.00 C ATOM 617 O ILE A 46 85.061 -1.674 2.352 1.00 0.00 O ATOM 618 CB ILE A 46 87.854 0.271 2.749 1.00 0.00 C ATOM 619 CG1 ILE A 46 87.612 0.995 1.403 1.00 0.00 C ATOM 620 CG2 ILE A 46 89.353 0.307 3.057 1.00 0.00 C ATOM 621 CD1 ILE A 46 88.125 2.436 1.487 1.00 0.00 C ATOM 0 H ILE A 46 86.701 -1.668 0.741 1.00 0.00 H new ATOM 0 HA ILE A 46 88.003 -1.769 3.421 1.00 0.00 H new ATOM 0 HB ILE A 46 87.273 0.783 3.516 1.00 0.00 H new ATOM 0 HG12 ILE A 46 88.121 0.465 0.598 1.00 0.00 H new ATOM 0 HG13 ILE A 46 86.548 0.992 1.164 1.00 0.00 H new ATOM 0 HG21 ILE A 46 89.694 1.342 3.086 1.00 0.00 H new ATOM 0 HG22 ILE A 46 89.537 -0.163 4.023 1.00 0.00 H new ATOM 0 HG23 ILE A 46 89.897 -0.232 2.281 1.00 0.00 H new ATOM 0 HD11 ILE A 46 87.952 2.940 0.536 1.00 0.00 H new ATOM 0 HD12 ILE A 46 87.596 2.965 2.280 1.00 0.00 H new ATOM 0 HD13 ILE A 46 89.193 2.430 1.705 1.00 0.00 H new ATOM 633 N PRO A 47 85.718 -1.460 4.474 1.00 0.00 N ATOM 634 CA PRO A 47 84.368 -1.781 5.057 1.00 0.00 C ATOM 635 C PRO A 47 83.241 -0.775 4.753 1.00 0.00 C ATOM 636 O PRO A 47 82.102 -1.178 4.598 1.00 0.00 O ATOM 637 CB PRO A 47 84.639 -1.811 6.562 1.00 0.00 C ATOM 638 CG PRO A 47 85.848 -0.961 6.752 1.00 0.00 C ATOM 639 CD PRO A 47 86.701 -1.175 5.535 1.00 0.00 C ATOM 0 HA PRO A 47 83.993 -2.707 4.620 1.00 0.00 H new ATOM 0 HB2 PRO A 47 83.790 -1.421 7.124 1.00 0.00 H new ATOM 0 HB3 PRO A 47 84.813 -2.829 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 47 85.574 0.089 6.857 1.00 0.00 H new ATOM 0 HG3 PRO A 47 86.384 -1.242 7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 47 87.298 -0.293 5.303 1.00 0.00 H new ATOM 0 HD3 PRO A 47 87.396 -2.004 5.672 1.00 0.00 H new ATOM 647 N ASP A 48 83.503 0.506 4.723 1.00 0.00 N ATOM 648 CA ASP A 48 82.376 1.483 4.495 1.00 0.00 C ATOM 649 C ASP A 48 81.811 1.426 3.062 1.00 0.00 C ATOM 650 O ASP A 48 80.771 2.005 2.799 1.00 0.00 O ATOM 651 CB ASP A 48 82.923 2.877 4.824 1.00 0.00 C ATOM 652 CG ASP A 48 83.361 2.935 6.292 1.00 0.00 C ATOM 653 OD1 ASP A 48 82.893 2.119 7.072 1.00 0.00 O1- ATOM 654 OD2 ASP A 48 84.158 3.801 6.615 1.00 0.00 O ATOM 0 H ASP A 48 84.427 0.920 4.843 1.00 0.00 H new ATOM 0 HA ASP A 48 81.535 1.227 5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 48 83.767 3.108 4.175 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.159 3.631 4.634 1.00 0.00 H new ATOM 659 N ILE A 49 82.442 0.730 2.144 1.00 0.00 N ATOM 660 CA ILE A 49 81.864 0.653 0.756 1.00 0.00 C ATOM 661 C ILE A 49 80.691 -0.339 0.770 1.00 0.00 C ATOM 662 O ILE A 49 80.833 -1.467 1.204 1.00 0.00 O ATOM 663 CB ILE A 49 82.991 0.146 -0.156 1.00 0.00 C ATOM 664 CG1 ILE A 49 84.239 1.032 -0.008 1.00 0.00 C ATOM 665 CG2 ILE A 49 82.526 0.161 -1.616 1.00 0.00 C ATOM 666 CD1 ILE A 49 83.922 2.483 -0.385 1.00 0.00 C ATOM 0 H ILE A 49 83.314 0.221 2.287 1.00 0.00 H new ATOM 0 HA ILE A 49 81.495 1.617 0.405 1.00 0.00 H new ATOM 0 HB ILE A 49 83.242 -0.874 0.136 1.00 0.00 H new ATOM 0 HG12 ILE A 49 84.602 0.989 1.019 1.00 0.00 H new ATOM 0 HG13 ILE A 49 85.038 0.652 -0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 49 83.330 -0.200 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 49 81.655 -0.485 -1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 49 82.262 1.179 -1.903 1.00 0.00 H new ATOM 0 HD11 ILE A 49 84.819 3.092 -0.273 1.00 0.00 H new ATOM 0 HD12 ILE A 49 83.582 2.524 -1.420 1.00 0.00 H new ATOM 0 HD13 ILE A 49 83.139 2.866 0.269 1.00 0.00 H new ATOM 678 N ALA A 50 79.526 0.082 0.335 1.00 0.00 N ATOM 679 CA ALA A 50 78.332 -0.823 0.361 1.00 0.00 C ATOM 680 C ALA A 50 78.275 -1.753 -0.849 1.00 0.00 C ATOM 681 O ALA A 50 78.034 -2.938 -0.696 1.00 0.00 O ATOM 682 CB ALA A 50 77.126 0.117 0.368 1.00 0.00 C ATOM 0 H ALA A 50 79.351 1.015 -0.038 1.00 0.00 H new ATOM 0 HA ALA A 50 78.364 -1.481 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 50 76.208 -0.470 0.387 1.00 0.00 H new ATOM 0 HB2 ALA A 50 77.167 0.755 1.251 1.00 0.00 H new ATOM 0 HB3 ALA A 50 77.142 0.737 -0.529 1.00 0.00 H new ATOM 688 N GLY A 51 78.474 -1.252 -2.042 1.00 0.00 N ATOM 689 CA GLY A 51 78.402 -2.161 -3.222 1.00 0.00 C ATOM 690 C GLY A 51 78.461 -1.381 -4.536 1.00 0.00 C ATOM 691 O GLY A 51 79.248 -0.472 -4.707 1.00 0.00 O ATOM 0 H GLY A 51 78.679 -0.274 -2.247 1.00 0.00 H new ATOM 0 HA2 GLY A 51 79.226 -2.874 -3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 51 77.478 -2.738 -3.182 1.00 0.00 H new ATOM 695 N TRP A 52 77.633 -1.768 -5.474 1.00 0.00 N ATOM 696 CA TRP A 52 77.590 -1.123 -6.828 1.00 0.00 C ATOM 697 C TRP A 52 77.675 0.405 -6.766 1.00 0.00 C ATOM 698 O TRP A 52 78.171 1.032 -7.688 1.00 0.00 O ATOM 699 CB TRP A 52 76.238 -1.530 -7.418 1.00 0.00 C ATOM 700 CG TRP A 52 76.185 -1.112 -8.855 1.00 0.00 C ATOM 701 CD1 TRP A 52 76.790 -1.766 -9.872 1.00 0.00 C ATOM 702 CD2 TRP A 52 75.514 0.040 -9.448 1.00 0.00 C ATOM 703 NE1 TRP A 52 76.534 -1.091 -11.053 1.00 0.00 N ATOM 704 CE2 TRP A 52 75.751 0.027 -10.844 1.00 0.00 C ATOM 705 CE3 TRP A 52 74.731 1.082 -8.919 1.00 0.00 C ATOM 706 CZ2 TRP A 52 75.229 1.015 -11.682 1.00 0.00 C ATOM 707 CZ3 TRP A 52 74.205 2.076 -9.760 1.00 0.00 C ATOM 708 CH2 TRP A 52 74.454 2.042 -11.139 1.00 0.00 C ATOM 0 H TRP A 52 76.963 -2.528 -5.355 1.00 0.00 H new ATOM 0 HA TRP A 52 78.444 -1.445 -7.424 1.00 0.00 H new ATOM 0 HB2 TRP A 52 76.101 -2.608 -7.335 1.00 0.00 H new ATOM 0 HB3 TRP A 52 75.428 -1.061 -6.860 1.00 0.00 H new ATOM 0 HD1 TRP A 52 77.377 -2.668 -9.778 1.00 0.00 H new ATOM 0 HE1 TRP A 52 76.881 -1.384 -11.966 1.00 0.00 H new ATOM 0 HE3 TRP A 52 74.533 1.118 -7.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 75.424 0.985 -12.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 73.605 2.871 -9.342 1.00 0.00 H new ATOM 0 HH2 TRP A 52 74.047 2.809 -11.781 1.00 0.00 H new ATOM 719 N ASP A 53 77.197 1.014 -5.710 1.00 0.00 N ATOM 720 CA ASP A 53 77.248 2.499 -5.620 1.00 0.00 C ATOM 721 C ASP A 53 77.486 2.941 -4.173 1.00 0.00 C ATOM 722 O ASP A 53 76.658 3.594 -3.566 1.00 0.00 O ATOM 723 CB ASP A 53 75.873 2.957 -6.109 1.00 0.00 C ATOM 724 CG ASP A 53 75.838 4.482 -6.200 1.00 0.00 C ATOM 725 OD1 ASP A 53 76.331 5.007 -7.183 1.00 0.00 O ATOM 726 OD2 ASP A 53 75.316 5.098 -5.286 1.00 0.00 O1- ATOM 0 H ASP A 53 76.775 0.545 -4.909 1.00 0.00 H new ATOM 0 HA ASP A 53 78.060 2.926 -6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 53 75.660 2.520 -7.085 1.00 0.00 H new ATOM 0 HB3 ASP A 53 75.099 2.606 -5.427 1.00 0.00 H new ATOM 731 N SER A 54 78.608 2.568 -3.616 1.00 0.00 N ATOM 732 CA SER A 54 78.911 2.941 -2.199 1.00 0.00 C ATOM 733 C SER A 54 78.979 4.471 -2.043 1.00 0.00 C ATOM 734 O SER A 54 79.522 5.146 -2.895 1.00 0.00 O ATOM 735 CB SER A 54 80.273 2.314 -1.908 1.00 0.00 C ATOM 736 OG SER A 54 81.165 2.616 -2.970 1.00 0.00 O ATOM 0 H SER A 54 79.331 2.019 -4.081 1.00 0.00 H new ATOM 0 HA SER A 54 78.141 2.590 -1.511 1.00 0.00 H new ATOM 0 HB2 SER A 54 80.668 2.695 -0.966 1.00 0.00 H new ATOM 0 HB3 SER A 54 80.173 1.234 -1.798 1.00 0.00 H new ATOM 0 HG SER A 54 81.307 1.814 -3.516 1.00 0.00 H new ATOM 742 N PRO A 55 78.430 4.979 -0.954 1.00 0.00 N ATOM 743 CA PRO A 55 78.449 6.444 -0.717 1.00 0.00 C ATOM 744 C PRO A 55 79.835 6.911 -0.255 1.00 0.00 C ATOM 745 O PRO A 55 80.170 8.076 -0.362 1.00 0.00 O ATOM 746 CB PRO A 55 77.422 6.645 0.392 1.00 0.00 C ATOM 747 CG PRO A 55 77.364 5.338 1.117 1.00 0.00 C ATOM 748 CD PRO A 55 77.750 4.259 0.138 1.00 0.00 C ATOM 0 HA PRO A 55 78.224 7.015 -1.618 1.00 0.00 H new ATOM 0 HB2 PRO A 55 77.718 7.453 1.061 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.448 6.911 -0.018 1.00 0.00 H new ATOM 0 HG2 PRO A 55 78.043 5.342 1.970 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.362 5.161 1.508 1.00 0.00 H new ATOM 0 HD2 PRO A 55 78.408 3.522 0.598 1.00 0.00 H new ATOM 0 HD3 PRO A 55 76.875 3.721 -0.226 1.00 0.00 H new ATOM 756 N SER A 56 80.633 6.015 0.271 1.00 0.00 N ATOM 757 CA SER A 56 81.990 6.405 0.757 1.00 0.00 C ATOM 758 C SER A 56 83.054 6.180 -0.323 1.00 0.00 C ATOM 759 O SER A 56 84.237 6.178 -0.036 1.00 0.00 O ATOM 760 CB SER A 56 82.253 5.496 1.955 1.00 0.00 C ATOM 761 OG SER A 56 81.580 6.015 3.094 1.00 0.00 O ATOM 0 H SER A 56 80.401 5.028 0.384 1.00 0.00 H new ATOM 0 HA SER A 56 82.035 7.463 1.016 1.00 0.00 H new ATOM 0 HB2 SER A 56 81.906 4.485 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 56 83.324 5.431 2.149 1.00 0.00 H new ATOM 0 HG SER A 56 82.076 5.776 3.904 1.00 0.00 H new ATOM 767 N CYS A 57 82.654 5.980 -1.557 1.00 0.00 N ATOM 768 CA CYS A 57 83.665 5.752 -2.633 1.00 0.00 C ATOM 769 C CYS A 57 84.366 7.064 -2.979 1.00 0.00 C ATOM 770 O CYS A 57 83.781 8.129 -2.907 1.00 0.00 O ATOM 771 CB CYS A 57 82.879 5.231 -3.833 1.00 0.00 C ATOM 772 SG CYS A 57 84.005 4.376 -4.963 1.00 0.00 S ATOM 0 H CYS A 57 81.681 5.965 -1.861 1.00 0.00 H new ATOM 0 HA CYS A 57 84.436 5.046 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 57 82.094 4.551 -3.501 1.00 0.00 H new ATOM 0 HB3 CYS A 57 82.388 6.057 -4.347 1.00 0.00 H new ATOM 777 N GLY A 58 85.616 6.992 -3.360 1.00 0.00 N ATOM 778 CA GLY A 58 86.364 8.232 -3.718 1.00 0.00 C ATOM 779 C GLY A 58 86.708 9.003 -2.445 1.00 0.00 C ATOM 780 O GLY A 58 86.715 10.221 -2.430 1.00 0.00 O ATOM 0 H GLY A 58 86.150 6.127 -3.438 1.00 0.00 H new ATOM 0 HA2 GLY A 58 87.275 7.977 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 58 85.763 8.854 -4.382 1.00 0.00 H new ATOM 784 N THR A 59 86.994 8.303 -1.378 1.00 0.00 N ATOM 785 CA THR A 59 87.343 8.987 -0.100 1.00 0.00 C ATOM 786 C THR A 59 88.756 8.587 0.336 1.00 0.00 C ATOM 787 O THR A 59 89.128 7.429 0.326 1.00 0.00 O ATOM 788 CB THR A 59 86.294 8.531 0.917 1.00 0.00 C ATOM 789 OG1 THR A 59 85.003 8.895 0.450 1.00 0.00 O ATOM 790 CG2 THR A 59 86.548 9.221 2.259 1.00 0.00 C ATOM 0 H THR A 59 87.001 7.284 -1.338 1.00 0.00 H new ATOM 0 HA THR A 59 87.340 10.073 -0.198 1.00 0.00 H new ATOM 0 HB THR A 59 86.356 7.450 1.042 1.00 0.00 H new ATOM 0 HG1 THR A 59 84.500 8.087 0.216 1.00 0.00 H new ATOM 0 HG21 THR A 59 85.801 8.896 2.983 1.00 0.00 H new ATOM 0 HG22 THR A 59 87.542 8.958 2.621 1.00 0.00 H new ATOM 0 HG23 THR A 59 86.483 10.301 2.131 1.00 0.00 H new ATOM 798 N CYS A 60 89.546 9.566 0.675 1.00 0.00 N ATOM 799 CA CYS A 60 90.965 9.312 1.074 1.00 0.00 C ATOM 800 C CYS A 60 91.071 8.811 2.519 1.00 0.00 C ATOM 801 O CYS A 60 90.324 9.222 3.385 1.00 0.00 O ATOM 802 CB CYS A 60 91.640 10.683 0.958 1.00 0.00 C ATOM 803 SG CYS A 60 92.414 10.839 -0.666 1.00 0.00 S ATOM 0 H CYS A 60 89.268 10.547 0.694 1.00 0.00 H new ATOM 0 HA CYS A 60 91.422 8.544 0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 60 90.905 11.475 1.100 1.00 0.00 H new ATOM 0 HB3 CYS A 60 92.388 10.799 1.742 1.00 0.00 H new ATOM 808 N TRP A 61 92.020 7.944 2.782 1.00 0.00 N ATOM 809 CA TRP A 61 92.213 7.431 4.172 1.00 0.00 C ATOM 810 C TRP A 61 93.681 7.092 4.407 1.00 0.00 C ATOM 811 O TRP A 61 94.383 6.689 3.500 1.00 0.00 O ATOM 812 CB TRP A 61 91.374 6.159 4.267 1.00 0.00 C ATOM 813 CG TRP A 61 89.934 6.519 4.249 1.00 0.00 C ATOM 814 CD1 TRP A 61 89.138 6.436 3.167 1.00 0.00 C ATOM 815 CD2 TRP A 61 89.101 7.011 5.337 1.00 0.00 C ATOM 816 NE1 TRP A 61 87.876 6.867 3.512 1.00 0.00 N ATOM 817 CE2 TRP A 61 87.797 7.223 4.841 1.00 0.00 C ATOM 818 CE3 TRP A 61 89.348 7.290 6.692 1.00 0.00 C ATOM 819 CZ2 TRP A 61 86.771 7.697 5.656 1.00 0.00 C ATOM 820 CZ3 TRP A 61 88.318 7.765 7.520 1.00 0.00 C ATOM 821 CH2 TRP A 61 87.030 7.969 7.002 1.00 0.00 C ATOM 0 H TRP A 61 92.670 7.570 2.091 1.00 0.00 H new ATOM 0 HA TRP A 61 91.918 8.172 4.915 1.00 0.00 H new ATOM 0 HB2 TRP A 61 91.605 5.494 3.435 1.00 0.00 H new ATOM 0 HB3 TRP A 61 91.614 5.619 5.183 1.00 0.00 H new ATOM 0 HD1 TRP A 61 89.439 6.089 2.190 1.00 0.00 H new ATOM 0 HE1 TRP A 61 87.093 6.917 2.861 1.00 0.00 H new ATOM 0 HE3 TRP A 61 90.337 7.138 7.099 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 85.782 7.853 5.250 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 88.518 7.974 8.560 1.00 0.00 H new ATOM 0 HH2 TRP A 61 86.241 8.335 7.642 1.00 0.00 H new ATOM 832 N LYS A 62 94.142 7.226 5.620 1.00 0.00 N ATOM 833 CA LYS A 62 95.558 6.883 5.924 1.00 0.00 C ATOM 834 C LYS A 62 95.582 5.650 6.823 1.00 0.00 C ATOM 835 O LYS A 62 94.822 5.555 7.767 1.00 0.00 O ATOM 836 CB LYS A 62 96.132 8.101 6.652 1.00 0.00 C ATOM 837 CG LYS A 62 97.598 7.841 7.010 1.00 0.00 C ATOM 838 CD LYS A 62 98.172 9.058 7.736 1.00 0.00 C ATOM 839 CE LYS A 62 97.739 9.029 9.203 1.00 0.00 C ATOM 840 NZ LYS A 62 98.355 10.240 9.811 1.00 0.00 N1+ ATOM 0 H LYS A 62 93.597 7.559 6.415 1.00 0.00 H new ATOM 0 HA LYS A 62 96.140 6.656 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 62 96.053 8.986 6.020 1.00 0.00 H new ATOM 0 HB3 LYS A 62 95.556 8.302 7.556 1.00 0.00 H new ATOM 0 HG2 LYS A 62 97.677 6.957 7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 62 98.173 7.639 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 62 99.260 9.056 7.667 1.00 0.00 H new ATOM 0 HD3 LYS A 62 97.824 9.975 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 62 96.653 9.051 9.294 1.00 0.00 H new ATOM 0 HE3 LYS A 62 98.083 8.121 9.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 98.103 10.289 10.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 99.389 10.189 9.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 98.004 11.090 9.324 1.00 0.00 H new ATOM 854 N VAL A 63 96.442 4.711 6.537 1.00 0.00 N ATOM 855 CA VAL A 63 96.510 3.480 7.374 1.00 0.00 C ATOM 856 C VAL A 63 97.797 3.502 8.194 1.00 0.00 C ATOM 857 O VAL A 63 98.871 3.701 7.663 1.00 0.00 O ATOM 858 CB VAL A 63 96.510 2.313 6.381 1.00 0.00 C ATOM 859 CG1 VAL A 63 96.578 0.989 7.144 1.00 0.00 C ATOM 860 CG2 VAL A 63 95.227 2.349 5.545 1.00 0.00 C ATOM 0 H VAL A 63 97.101 4.743 5.759 1.00 0.00 H new ATOM 0 HA VAL A 63 95.679 3.398 8.075 1.00 0.00 H new ATOM 0 HB VAL A 63 97.376 2.401 5.725 1.00 0.00 H new ATOM 0 HG11 VAL A 63 96.578 0.160 6.436 1.00 0.00 H new ATOM 0 HG12 VAL A 63 97.491 0.958 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 63 95.713 0.904 7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 63 95.229 1.518 4.839 1.00 0.00 H new ATOM 0 HG22 VAL A 63 94.362 2.265 6.203 1.00 0.00 H new ATOM 0 HG23 VAL A 63 95.176 3.290 4.997 1.00 0.00 H new ATOM 870 N THR A 64 97.683 3.341 9.488 1.00 0.00 N ATOM 871 CA THR A 64 98.883 3.389 10.374 1.00 0.00 C ATOM 872 C THR A 64 99.067 2.060 11.115 1.00 0.00 C ATOM 873 O THR A 64 98.107 1.446 11.550 1.00 0.00 O ATOM 874 CB THR A 64 98.562 4.504 11.372 1.00 0.00 C ATOM 875 OG1 THR A 64 98.045 5.625 10.671 1.00 0.00 O ATOM 876 CG2 THR A 64 99.837 4.914 12.111 1.00 0.00 C ATOM 0 H THR A 64 96.800 3.177 9.972 1.00 0.00 H new ATOM 0 HA THR A 64 99.803 3.565 9.816 1.00 0.00 H new ATOM 0 HB THR A 64 97.825 4.147 12.091 1.00 0.00 H new ATOM 0 HG1 THR A 64 97.836 6.341 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 64 99.607 5.708 12.821 1.00 0.00 H new ATOM 0 HG22 THR A 64 100.240 4.054 12.646 1.00 0.00 H new ATOM 0 HG23 THR A 64 100.575 5.272 11.393 1.00 0.00 H new ATOM 884 N ILE A 65 100.291 1.611 11.255 1.00 0.00 N ATOM 885 CA ILE A 65 100.543 0.313 11.961 1.00 0.00 C ATOM 886 C ILE A 65 101.427 0.537 13.207 1.00 0.00 C ATOM 887 O ILE A 65 102.029 1.582 13.350 1.00 0.00 O ATOM 888 CB ILE A 65 101.247 -0.571 10.921 1.00 0.00 C ATOM 889 CG1 ILE A 65 102.525 0.122 10.430 1.00 0.00 C ATOM 890 CG2 ILE A 65 100.311 -0.804 9.735 1.00 0.00 C ATOM 891 CD1 ILE A 65 103.378 -0.876 9.644 1.00 0.00 C ATOM 0 H ILE A 65 101.126 2.086 10.912 1.00 0.00 H new ATOM 0 HA ILE A 65 99.625 -0.150 12.324 1.00 0.00 H new ATOM 0 HB ILE A 65 101.507 -1.526 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 65 102.270 0.974 9.800 1.00 0.00 H new ATOM 0 HG13 ILE A 65 103.089 0.510 11.278 1.00 0.00 H new ATOM 0 HG21 ILE A 65 100.809 -1.431 8.996 1.00 0.00 H new ATOM 0 HG22 ILE A 65 99.404 -1.300 10.080 1.00 0.00 H new ATOM 0 HG23 ILE A 65 100.052 0.153 9.283 1.00 0.00 H new ATOM 0 HD11 ILE A 65 104.286 -0.383 9.295 1.00 0.00 H new ATOM 0 HD12 ILE A 65 103.644 -1.714 10.288 1.00 0.00 H new ATOM 0 HD13 ILE A 65 102.812 -1.243 8.787 1.00 0.00 H new ATOM 903 N PRO A 66 101.458 -0.450 14.089 1.00 0.00 N ATOM 904 CA PRO A 66 102.257 -0.341 15.348 1.00 0.00 C ATOM 905 C PRO A 66 103.754 -0.159 15.074 1.00 0.00 C ATOM 906 O PRO A 66 104.476 0.383 15.891 1.00 0.00 O ATOM 907 CB PRO A 66 101.990 -1.676 16.051 1.00 0.00 C ATOM 908 CG PRO A 66 101.586 -2.600 14.957 1.00 0.00 C ATOM 909 CD PRO A 66 100.780 -1.758 14.011 1.00 0.00 C ATOM 0 HA PRO A 66 101.974 0.529 15.940 1.00 0.00 H new ATOM 0 HB2 PRO A 66 102.879 -2.037 16.567 1.00 0.00 H new ATOM 0 HB3 PRO A 66 101.204 -1.580 16.800 1.00 0.00 H new ATOM 0 HG2 PRO A 66 102.457 -3.027 14.460 1.00 0.00 H new ATOM 0 HG3 PRO A 66 100.998 -3.433 15.342 1.00 0.00 H new ATOM 0 HD2 PRO A 66 100.792 -2.161 12.998 1.00 0.00 H new ATOM 0 HD3 PRO A 66 99.736 -1.692 14.316 1.00 0.00 H new ATOM 917 N ASN A 67 104.225 -0.592 13.933 1.00 0.00 N ATOM 918 CA ASN A 67 105.677 -0.429 13.604 1.00 0.00 C ATOM 919 C ASN A 67 106.018 1.061 13.511 1.00 0.00 C ATOM 920 O ASN A 67 107.059 1.507 13.957 1.00 0.00 O ATOM 921 CB ASN A 67 105.859 -1.108 12.244 1.00 0.00 C ATOM 922 CG ASN A 67 107.330 -1.048 11.818 1.00 0.00 C ATOM 923 OD1 ASN A 67 108.095 -0.253 12.328 1.00 0.00 O ATOM 924 ND2 ASN A 67 107.760 -1.862 10.895 1.00 0.00 N ATOM 0 H ASN A 67 103.668 -1.052 13.213 1.00 0.00 H new ATOM 0 HA ASN A 67 106.329 -0.866 14.361 1.00 0.00 H new ATOM 0 HB2 ASN A 67 105.531 -2.146 12.300 1.00 0.00 H new ATOM 0 HB3 ASN A 67 105.236 -0.616 11.497 1.00 0.00 H new ATOM 0 HD21 ASN A 67 108.737 -1.831 10.602 1.00 0.00 H new ATOM 0 HD22 ASN A 67 107.120 -2.530 10.466 1.00 0.00 H new ATOM 931 N GLY A 68 105.130 1.819 12.932 1.00 0.00 N ATOM 932 CA GLY A 68 105.361 3.286 12.793 1.00 0.00 C ATOM 933 C GLY A 68 105.509 3.642 11.317 1.00 0.00 C ATOM 934 O GLY A 68 106.537 4.125 10.881 1.00 0.00 O ATOM 0 H GLY A 68 104.247 1.484 12.546 1.00 0.00 H new ATOM 0 HA2 GLY A 68 104.529 3.839 13.229 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.258 3.577 13.340 1.00 0.00 H new ATOM 938 N ASN A 69 104.478 3.419 10.551 1.00 0.00 N ATOM 939 CA ASN A 69 104.518 3.749 9.099 1.00 0.00 C ATOM 940 C ASN A 69 103.090 3.812 8.565 1.00 0.00 C ATOM 941 O ASN A 69 102.198 3.181 9.111 1.00 0.00 O ATOM 942 CB ASN A 69 105.301 2.607 8.445 1.00 0.00 C ATOM 943 CG ASN A 69 105.618 2.958 6.987 1.00 0.00 C ATOM 944 OD1 ASN A 69 105.367 4.061 6.540 1.00 0.00 O ATOM 945 ND2 ASN A 69 106.167 2.056 6.220 1.00 0.00 N ATOM 0 H ASN A 69 103.598 3.017 10.874 1.00 0.00 H new ATOM 0 HA ASN A 69 104.987 4.711 8.894 1.00 0.00 H new ATOM 0 HB2 ASN A 69 106.225 2.428 8.994 1.00 0.00 H new ATOM 0 HB3 ASN A 69 104.721 1.685 8.488 1.00 0.00 H new ATOM 0 HD21 ASN A 69 106.385 2.277 5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 69 106.379 1.130 6.592 1.00 0.00 H new ATOM 952 N SER A 70 102.853 4.568 7.522 1.00 0.00 N ATOM 953 CA SER A 70 101.463 4.660 6.989 1.00 0.00 C ATOM 954 C SER A 70 101.433 5.027 5.504 1.00 0.00 C ATOM 955 O SER A 70 102.380 5.547 4.949 1.00 0.00 O ATOM 956 CB SER A 70 100.791 5.746 7.827 1.00 0.00 C ATOM 957 OG SER A 70 101.367 7.007 7.508 1.00 0.00 O ATOM 0 H SER A 70 103.553 5.118 7.024 1.00 0.00 H new ATOM 0 HA SER A 70 100.953 3.699 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 70 99.719 5.762 7.631 1.00 0.00 H new ATOM 0 HB3 SER A 70 100.917 5.533 8.889 1.00 0.00 H new ATOM 0 HG SER A 70 100.938 7.707 8.042 1.00 0.00 H new ATOM 963 N ILE A 71 100.322 4.756 4.873 1.00 0.00 N ATOM 964 CA ILE A 71 100.141 5.066 3.420 1.00 0.00 C ATOM 965 C ILE A 71 98.757 5.681 3.207 1.00 0.00 C ATOM 966 O ILE A 71 97.904 5.584 4.070 1.00 0.00 O ATOM 967 CB ILE A 71 100.241 3.716 2.691 1.00 0.00 C ATOM 968 CG1 ILE A 71 99.206 2.735 3.255 1.00 0.00 C ATOM 969 CG2 ILE A 71 101.651 3.134 2.848 1.00 0.00 C ATOM 970 CD1 ILE A 71 99.145 1.494 2.365 1.00 0.00 C ATOM 0 H ILE A 71 99.511 4.322 5.313 1.00 0.00 H new ATOM 0 HA ILE A 71 100.884 5.772 3.050 1.00 0.00 H new ATOM 0 HB ILE A 71 100.040 3.874 1.632 1.00 0.00 H new ATOM 0 HG12 ILE A 71 99.473 2.453 4.273 1.00 0.00 H new ATOM 0 HG13 ILE A 71 98.226 3.210 3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 71 101.710 2.178 2.328 1.00 0.00 H new ATOM 0 HG22 ILE A 71 102.379 3.824 2.422 1.00 0.00 H new ATOM 0 HG23 ILE A 71 101.868 2.985 3.906 1.00 0.00 H new ATOM 0 HD11 ILE A 71 98.410 0.796 2.765 1.00 0.00 H new ATOM 0 HD12 ILE A 71 98.858 1.785 1.355 1.00 0.00 H new ATOM 0 HD13 ILE A 71 100.124 1.015 2.340 1.00 0.00 H new ATOM 982 N PHE A 72 98.514 6.305 2.075 1.00 0.00 N ATOM 983 CA PHE A 72 97.161 6.906 1.851 1.00 0.00 C ATOM 984 C PHE A 72 96.410 6.078 0.801 1.00 0.00 C ATOM 985 O PHE A 72 96.928 5.826 -0.271 1.00 0.00 O ATOM 986 CB PHE A 72 97.426 8.323 1.332 1.00 0.00 C ATOM 987 CG PHE A 72 98.217 9.107 2.354 1.00 0.00 C ATOM 988 CD1 PHE A 72 97.570 9.677 3.457 1.00 0.00 C ATOM 989 CD2 PHE A 72 99.600 9.266 2.194 1.00 0.00 C ATOM 990 CE1 PHE A 72 98.307 10.404 4.401 1.00 0.00 C ATOM 991 CE2 PHE A 72 100.335 9.993 3.137 1.00 0.00 C ATOM 992 CZ PHE A 72 99.690 10.561 4.240 1.00 0.00 C ATOM 0 H PHE A 72 99.181 6.422 1.312 1.00 0.00 H new ATOM 0 HA PHE A 72 96.553 6.923 2.756 1.00 0.00 H new ATOM 0 HB2 PHE A 72 97.975 8.278 0.391 1.00 0.00 H new ATOM 0 HB3 PHE A 72 96.481 8.827 1.126 1.00 0.00 H new ATOM 0 HD1 PHE A 72 96.504 9.556 3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 72 100.099 8.827 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 72 97.809 10.843 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 72 101.401 10.115 3.013 1.00 0.00 H new ATOM 0 HZ PHE A 72 100.258 11.121 4.968 1.00 0.00 H new ATOM 1002 N ILE A 73 95.216 5.632 1.100 1.00 0.00 N ATOM 1003 CA ILE A 73 94.464 4.794 0.112 1.00 0.00 C ATOM 1004 C ILE A 73 93.036 5.318 -0.097 1.00 0.00 C ATOM 1005 O ILE A 73 92.368 5.724 0.835 1.00 0.00 O ATOM 1006 CB ILE A 73 94.485 3.379 0.704 1.00 0.00 C ATOM 1007 CG1 ILE A 73 95.928 2.868 0.670 1.00 0.00 C ATOM 1008 CG2 ILE A 73 93.594 2.435 -0.115 1.00 0.00 C ATOM 1009 CD1 ILE A 73 96.030 1.520 1.387 1.00 0.00 C ATOM 0 H ILE A 73 94.730 5.809 1.979 1.00 0.00 H new ATOM 0 HA ILE A 73 94.916 4.818 -0.880 1.00 0.00 H new ATOM 0 HB ILE A 73 94.107 3.408 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 73 96.260 2.764 -0.363 1.00 0.00 H new ATOM 0 HG13 ILE A 73 96.589 3.592 1.146 1.00 0.00 H new ATOM 0 HG21 ILE A 73 93.623 1.437 0.322 1.00 0.00 H new ATOM 0 HG22 ILE A 73 92.569 2.805 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 73 93.957 2.392 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 73 97.061 1.168 1.355 1.00 0.00 H new ATOM 0 HD12 ILE A 73 95.718 1.635 2.425 1.00 0.00 H new ATOM 0 HD13 ILE A 73 95.384 0.795 0.892 1.00 0.00 H new ATOM 1021 N ARG A 74 92.575 5.301 -1.322 1.00 0.00 N ATOM 1022 CA ARG A 74 91.202 5.782 -1.626 1.00 0.00 C ATOM 1023 C ARG A 74 90.260 4.584 -1.787 1.00 0.00 C ATOM 1024 O ARG A 74 90.645 3.543 -2.285 1.00 0.00 O ATOM 1025 CB ARG A 74 91.346 6.552 -2.939 1.00 0.00 C ATOM 1026 CG ARG A 74 89.987 7.100 -3.383 1.00 0.00 C ATOM 1027 CD ARG A 74 90.004 7.348 -4.897 1.00 0.00 C ATOM 1028 NE ARG A 74 89.026 6.369 -5.459 1.00 0.00 N ATOM 1029 CZ ARG A 74 89.441 5.229 -5.953 1.00 0.00 C ATOM 1030 NH1 ARG A 74 90.117 4.400 -5.208 1.00 0.00 N1+ ATOM 1031 NH2 ARG A 74 89.174 4.918 -7.191 1.00 0.00 N ATOM 0 H ARG A 74 93.101 4.970 -2.131 1.00 0.00 H new ATOM 0 HA ARG A 74 90.783 6.407 -0.837 1.00 0.00 H new ATOM 0 HB2 ARG A 74 92.053 7.372 -2.812 1.00 0.00 H new ATOM 0 HB3 ARG A 74 91.752 5.897 -3.710 1.00 0.00 H new ATOM 0 HG2 ARG A 74 89.197 6.393 -3.129 1.00 0.00 H new ATOM 0 HG3 ARG A 74 89.767 8.028 -2.854 1.00 0.00 H new ATOM 0 HD2 ARG A 74 89.717 8.373 -5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 74 91.000 7.193 -5.311 1.00 0.00 H new ATOM 0 HE ARG A 74 88.030 6.589 -5.458 1.00 0.00 H new ATOM 0 HH11 ARG A 74 90.324 4.638 -4.238 1.00 0.00 H new ATOM 0 HH12 ARG A 74 90.439 3.513 -5.595 1.00 0.00 H new ATOM 0 HH21 ARG A 74 88.642 5.563 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 74 89.498 4.030 -7.575 1.00 0.00 H new ATOM 1045 N GLY A 75 89.035 4.726 -1.357 1.00 0.00 N ATOM 1046 CA GLY A 75 88.058 3.603 -1.466 1.00 0.00 C ATOM 1047 C GLY A 75 87.818 3.243 -2.928 1.00 0.00 C ATOM 1048 O GLY A 75 87.899 4.076 -3.811 1.00 0.00 O ATOM 0 H GLY A 75 88.666 5.577 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 75 88.434 2.733 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 75 87.116 3.886 -0.996 1.00 0.00 H new ATOM 1052 N VAL A 76 87.497 2.002 -3.177 1.00 0.00 N ATOM 1053 CA VAL A 76 87.214 1.535 -4.563 1.00 0.00 C ATOM 1054 C VAL A 76 86.310 0.286 -4.491 1.00 0.00 C ATOM 1055 O VAL A 76 85.341 0.177 -5.215 1.00 0.00 O ATOM 1056 CB VAL A 76 88.594 1.241 -5.199 1.00 0.00 C ATOM 1057 CG1 VAL A 76 89.137 -0.136 -4.786 1.00 0.00 C ATOM 1058 CG2 VAL A 76 88.461 1.289 -6.722 1.00 0.00 C ATOM 0 H VAL A 76 87.418 1.278 -2.462 1.00 0.00 H new ATOM 0 HA VAL A 76 86.683 2.269 -5.169 1.00 0.00 H new ATOM 0 HB VAL A 76 89.295 1.997 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 76 90.107 -0.300 -5.255 1.00 0.00 H new ATOM 0 HG12 VAL A 76 89.247 -0.174 -3.702 1.00 0.00 H new ATOM 0 HG13 VAL A 76 88.442 -0.912 -5.107 1.00 0.00 H new ATOM 0 HG21 VAL A 76 89.429 1.083 -7.178 1.00 0.00 H new ATOM 0 HG22 VAL A 76 87.739 0.540 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL A 76 88.120 2.278 -7.026 1.00 0.00 H new ATOM 1068 N ASP A 77 86.606 -0.641 -3.602 1.00 0.00 N ATOM 1069 CA ASP A 77 85.757 -1.865 -3.453 1.00 0.00 C ATOM 1070 C ASP A 77 85.411 -2.071 -1.974 1.00 0.00 C ATOM 1071 O ASP A 77 85.948 -1.405 -1.110 1.00 0.00 O ATOM 1072 CB ASP A 77 86.609 -3.028 -3.953 1.00 0.00 C ATOM 1073 CG ASP A 77 85.720 -4.269 -4.087 1.00 0.00 C ATOM 1074 OD1 ASP A 77 85.566 -4.970 -3.098 1.00 0.00 O1- ATOM 1075 OD2 ASP A 77 85.196 -4.490 -5.167 1.00 0.00 O ATOM 0 H ASP A 77 87.406 -0.597 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 77 84.824 -1.783 -4.011 1.00 0.00 H new ATOM 0 HB2 ASP A 77 87.059 -2.780 -4.914 1.00 0.00 H new ATOM 0 HB3 ASP A 77 87.427 -3.223 -3.259 1.00 0.00 H new ATOM 1080 N SER A 78 84.512 -2.977 -1.679 1.00 0.00 N ATOM 1081 CA SER A 78 84.121 -3.218 -0.255 1.00 0.00 C ATOM 1082 C SER A 78 84.800 -4.470 0.304 1.00 0.00 C ATOM 1083 O SER A 78 85.247 -5.331 -0.430 1.00 0.00 O ATOM 1084 CB SER A 78 82.605 -3.398 -0.284 1.00 0.00 C ATOM 1085 OG SER A 78 82.135 -3.637 1.036 1.00 0.00 O ATOM 0 H SER A 78 84.031 -3.561 -2.363 1.00 0.00 H new ATOM 0 HA SER A 78 84.427 -2.394 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 78 82.129 -2.508 -0.696 1.00 0.00 H new ATOM 0 HB3 SER A 78 82.339 -4.232 -0.934 1.00 0.00 H new ATOM 0 HG SER A 78 81.788 -2.803 1.416 1.00 0.00 H new ATOM 1091 N GLY A 79 84.873 -4.568 1.608 1.00 0.00 N ATOM 1092 CA GLY A 79 85.515 -5.751 2.246 1.00 0.00 C ATOM 1093 C GLY A 79 84.582 -6.318 3.321 1.00 0.00 C ATOM 1094 O GLY A 79 83.769 -5.611 3.885 1.00 0.00 O ATOM 0 H GLY A 79 84.512 -3.872 2.260 1.00 0.00 H new ATOM 0 HA2 GLY A 79 85.728 -6.512 1.495 1.00 0.00 H new ATOM 0 HA3 GLY A 79 86.469 -5.466 2.690 1.00 0.00 H new ATOM 1098 N ARG A 80 84.707 -7.585 3.615 1.00 0.00 N ATOM 1099 CA ARG A 80 83.846 -8.212 4.667 1.00 0.00 C ATOM 1100 C ARG A 80 84.063 -7.519 6.019 1.00 0.00 C ATOM 1101 O ARG A 80 83.161 -7.429 6.830 1.00 0.00 O ATOM 1102 CB ARG A 80 84.301 -9.670 4.744 1.00 0.00 C ATOM 1103 CG ARG A 80 83.875 -10.408 3.472 1.00 0.00 C ATOM 1104 CD ARG A 80 84.333 -11.866 3.555 1.00 0.00 C ATOM 1105 NE ARG A 80 83.897 -12.484 2.272 1.00 0.00 N ATOM 1106 CZ ARG A 80 84.562 -13.491 1.775 1.00 0.00 C ATOM 1107 NH1 ARG A 80 85.612 -13.276 1.029 1.00 0.00 N ATOM 1108 NH2 ARG A 80 84.179 -14.713 2.025 1.00 0.00 N1+ ATOM 0 H ARG A 80 85.372 -8.218 3.170 1.00 0.00 H new ATOM 0 HA ARG A 80 82.786 -8.125 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 80 85.384 -9.718 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 80 83.866 -10.152 5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 80 82.792 -10.361 3.356 1.00 0.00 H new ATOM 0 HG3 ARG A 80 84.310 -9.927 2.596 1.00 0.00 H new ATOM 0 HD2 ARG A 80 85.414 -11.933 3.677 1.00 0.00 H new ATOM 0 HD3 ARG A 80 83.883 -12.372 4.409 1.00 0.00 H new ATOM 0 HE ARG A 80 83.079 -12.121 1.782 1.00 0.00 H new ATOM 0 HH11 ARG A 80 85.913 -12.321 0.835 1.00 0.00 H new ATOM 0 HH12 ARG A 80 86.132 -14.063 0.641 1.00 0.00 H new ATOM 0 HH21 ARG A 80 83.360 -14.881 2.609 1.00 0.00 H new ATOM 0 HH22 ARG A 80 84.699 -15.500 1.636 1.00 0.00 H new ATOM 1122 N GLY A 81 85.256 -7.031 6.261 1.00 0.00 N ATOM 1123 CA GLY A 81 85.533 -6.343 7.561 1.00 0.00 C ATOM 1124 C GLY A 81 87.029 -6.055 7.709 1.00 0.00 C ATOM 1125 O GLY A 81 87.744 -6.779 8.378 1.00 0.00 O ATOM 0 H GLY A 81 86.046 -7.079 5.618 1.00 0.00 H new ATOM 0 HA2 GLY A 81 84.971 -5.411 7.612 1.00 0.00 H new ATOM 0 HA3 GLY A 81 85.193 -6.966 8.388 1.00 0.00 H new ATOM 1129 N GLY A 82 87.500 -4.991 7.109 1.00 0.00 N ATOM 1130 CA GLY A 82 88.947 -4.642 7.235 1.00 0.00 C ATOM 1131 C GLY A 82 89.436 -3.957 5.961 1.00 0.00 C ATOM 1132 O GLY A 82 88.800 -4.021 4.926 1.00 0.00 O ATOM 0 H GLY A 82 86.947 -4.351 6.539 1.00 0.00 H new ATOM 0 HA2 GLY A 82 89.097 -3.984 8.091 1.00 0.00 H new ATOM 0 HA3 GLY A 82 89.531 -5.543 7.420 1.00 0.00 H new ATOM 1136 N PHE A 83 90.570 -3.307 6.028 1.00 0.00 N ATOM 1137 CA PHE A 83 91.127 -2.615 4.827 1.00 0.00 C ATOM 1138 C PHE A 83 91.995 -3.586 4.028 1.00 0.00 C ATOM 1139 O PHE A 83 92.998 -4.070 4.515 1.00 0.00 O ATOM 1140 CB PHE A 83 92.016 -1.498 5.391 1.00 0.00 C ATOM 1141 CG PHE A 83 91.183 -0.385 5.990 1.00 0.00 C ATOM 1142 CD1 PHE A 83 90.468 -0.595 7.177 1.00 0.00 C ATOM 1143 CD2 PHE A 83 91.146 0.867 5.365 1.00 0.00 C ATOM 1144 CE1 PHE A 83 89.714 0.446 7.732 1.00 0.00 C ATOM 1145 CE2 PHE A 83 90.394 1.907 5.922 1.00 0.00 C ATOM 1146 CZ PHE A 83 89.678 1.697 7.106 1.00 0.00 C ATOM 0 H PHE A 83 91.138 -3.226 6.871 1.00 0.00 H new ATOM 0 HA PHE A 83 90.343 -2.239 4.170 1.00 0.00 H new ATOM 0 HB2 PHE A 83 92.681 -1.908 6.151 1.00 0.00 H new ATOM 0 HB3 PHE A 83 92.647 -1.097 4.598 1.00 0.00 H new ATOM 0 HD1 PHE A 83 90.499 -1.559 7.663 1.00 0.00 H new ATOM 0 HD2 PHE A 83 91.699 1.030 4.452 1.00 0.00 H new ATOM 0 HE1 PHE A 83 89.159 0.283 8.644 1.00 0.00 H new ATOM 0 HE2 PHE A 83 90.366 2.872 5.438 1.00 0.00 H new ATOM 0 HZ PHE A 83 89.098 2.500 7.536 1.00 0.00 H new ATOM 1156 N ASN A 84 91.634 -3.856 2.799 1.00 0.00 N ATOM 1157 CA ASN A 84 92.463 -4.779 1.968 1.00 0.00 C ATOM 1158 C ASN A 84 93.083 -3.970 0.831 1.00 0.00 C ATOM 1159 O ASN A 84 92.386 -3.245 0.156 1.00 0.00 O ATOM 1160 CB ASN A 84 91.482 -5.822 1.431 1.00 0.00 C ATOM 1161 CG ASN A 84 92.249 -6.907 0.675 1.00 0.00 C ATOM 1162 OD1 ASN A 84 93.333 -6.669 0.181 1.00 0.00 O ATOM 1163 ND2 ASN A 84 91.730 -8.099 0.566 1.00 0.00 N ATOM 0 H ASN A 84 90.806 -3.479 2.338 1.00 0.00 H new ATOM 0 HA ASN A 84 93.273 -5.256 2.520 1.00 0.00 H new ATOM 0 HB2 ASN A 84 90.921 -6.265 2.254 1.00 0.00 H new ATOM 0 HB3 ASN A 84 90.757 -5.347 0.770 1.00 0.00 H new ATOM 0 HD21 ASN A 84 92.234 -8.831 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 84 90.820 -8.299 0.981 1.00 0.00 H new ATOM 1170 N VAL A 85 94.374 -4.045 0.623 1.00 0.00 N ATOM 1171 CA VAL A 85 94.990 -3.218 -0.466 1.00 0.00 C ATOM 1172 C VAL A 85 95.883 -4.051 -1.381 1.00 0.00 C ATOM 1173 O VAL A 85 96.153 -5.206 -1.124 1.00 0.00 O ATOM 1174 CB VAL A 85 95.823 -2.151 0.259 1.00 0.00 C ATOM 1175 CG1 VAL A 85 94.918 -1.282 1.135 1.00 0.00 C ATOM 1176 CG2 VAL A 85 96.880 -2.825 1.140 1.00 0.00 C ATOM 0 H VAL A 85 95.021 -4.632 1.149 1.00 0.00 H new ATOM 0 HA VAL A 85 94.222 -2.787 -1.108 1.00 0.00 H new ATOM 0 HB VAL A 85 96.313 -1.525 -0.487 1.00 0.00 H new ATOM 0 HG11 VAL A 85 95.519 -0.529 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 85 94.172 -0.790 0.511 1.00 0.00 H new ATOM 0 HG13 VAL A 85 94.418 -1.908 1.874 1.00 0.00 H new ATOM 0 HG21 VAL A 85 97.467 -2.062 1.651 1.00 0.00 H new ATOM 0 HG22 VAL A 85 96.388 -3.459 1.877 1.00 0.00 H new ATOM 0 HG23 VAL A 85 97.537 -3.433 0.519 1.00 0.00 H new ATOM 1186 N ASN A 86 96.351 -3.461 -2.452 1.00 0.00 N ATOM 1187 CA ASN A 86 97.243 -4.210 -3.393 1.00 0.00 C ATOM 1188 C ASN A 86 98.463 -4.749 -2.628 1.00 0.00 C ATOM 1189 O ASN A 86 98.816 -4.214 -1.595 1.00 0.00 O ATOM 1190 CB ASN A 86 97.691 -3.175 -4.428 1.00 0.00 C ATOM 1191 CG ASN A 86 96.511 -2.775 -5.316 1.00 0.00 C ATOM 1192 OD1 ASN A 86 95.402 -3.240 -5.132 1.00 0.00 O ATOM 1193 ND2 ASN A 86 96.705 -1.920 -6.283 1.00 0.00 N ATOM 0 H ASN A 86 96.155 -2.495 -2.716 1.00 0.00 H new ATOM 0 HA ASN A 86 96.739 -5.059 -3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 86 98.092 -2.295 -3.924 1.00 0.00 H new ATOM 0 HB3 ASN A 86 98.494 -3.585 -5.040 1.00 0.00 H new ATOM 0 HD21 ASN A 86 95.928 -1.643 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 86 97.634 -1.529 -6.439 1.00 0.00 H new ATOM 1200 N PRO A 87 99.072 -5.790 -3.144 1.00 0.00 N ATOM 1201 CA PRO A 87 100.254 -6.374 -2.465 1.00 0.00 C ATOM 1202 C PRO A 87 101.419 -5.386 -2.466 1.00 0.00 C ATOM 1203 O PRO A 87 102.235 -5.409 -1.568 1.00 0.00 O ATOM 1204 CB PRO A 87 100.569 -7.625 -3.283 1.00 0.00 C ATOM 1205 CG PRO A 87 99.979 -7.354 -4.627 1.00 0.00 C ATOM 1206 CD PRO A 87 98.750 -6.515 -4.386 1.00 0.00 C ATOM 0 HA PRO A 87 100.073 -6.608 -1.416 1.00 0.00 H new ATOM 0 HB2 PRO A 87 101.644 -7.796 -3.349 1.00 0.00 H new ATOM 0 HB3 PRO A 87 100.132 -8.515 -2.830 1.00 0.00 H new ATOM 0 HG2 PRO A 87 100.690 -6.829 -5.265 1.00 0.00 H new ATOM 0 HG3 PRO A 87 99.722 -8.284 -5.134 1.00 0.00 H new ATOM 0 HD2 PRO A 87 98.561 -5.831 -5.214 1.00 0.00 H new ATOM 0 HD3 PRO A 87 97.858 -7.131 -4.272 1.00 0.00 H new ATOM 1214 N THR A 88 101.508 -4.510 -3.436 1.00 0.00 N ATOM 1215 CA THR A 88 102.632 -3.525 -3.439 1.00 0.00 C ATOM 1216 C THR A 88 102.423 -2.511 -2.308 1.00 0.00 C ATOM 1217 O THR A 88 103.358 -2.152 -1.617 1.00 0.00 O ATOM 1218 CB THR A 88 102.591 -2.851 -4.804 1.00 0.00 C ATOM 1219 OG1 THR A 88 102.743 -3.835 -5.820 1.00 0.00 O ATOM 1220 CG2 THR A 88 103.726 -1.831 -4.913 1.00 0.00 C ATOM 0 H THR A 88 100.858 -4.435 -4.218 1.00 0.00 H new ATOM 0 HA THR A 88 103.601 -3.996 -3.273 1.00 0.00 H new ATOM 0 HB THR A 88 101.635 -2.341 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 88 102.715 -3.404 -6.700 1.00 0.00 H new ATOM 0 HG21 THR A 88 103.692 -1.352 -5.891 1.00 0.00 H new ATOM 0 HG22 THR A 88 103.613 -1.076 -4.135 1.00 0.00 H new ATOM 0 HG23 THR A 88 104.683 -2.337 -4.790 1.00 0.00 H new ATOM 1228 N ALA A 89 101.207 -2.069 -2.092 1.00 0.00 N ATOM 1229 CA ALA A 89 100.954 -1.104 -0.978 1.00 0.00 C ATOM 1230 C ALA A 89 101.215 -1.819 0.342 1.00 0.00 C ATOM 1231 O ALA A 89 101.785 -1.263 1.263 1.00 0.00 O ATOM 1232 CB ALA A 89 99.481 -0.697 -1.104 1.00 0.00 C ATOM 0 H ALA A 89 100.385 -2.333 -2.635 1.00 0.00 H new ATOM 0 HA ALA A 89 101.596 -0.224 -1.019 1.00 0.00 H new ATOM 0 HB1 ALA A 89 99.230 0.011 -0.314 1.00 0.00 H new ATOM 0 HB2 ALA A 89 99.314 -0.232 -2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 89 98.850 -1.581 -1.012 1.00 0.00 H new ATOM 1238 N PHE A 90 100.815 -3.057 0.428 1.00 0.00 N ATOM 1239 CA PHE A 90 101.049 -3.843 1.681 1.00 0.00 C ATOM 1240 C PHE A 90 102.550 -3.938 1.977 1.00 0.00 C ATOM 1241 O PHE A 90 102.989 -3.688 3.084 1.00 0.00 O ATOM 1242 CB PHE A 90 100.481 -5.235 1.393 1.00 0.00 C ATOM 1243 CG PHE A 90 100.549 -6.079 2.644 1.00 0.00 C ATOM 1244 CD1 PHE A 90 99.473 -6.080 3.540 1.00 0.00 C ATOM 1245 CD2 PHE A 90 101.681 -6.864 2.907 1.00 0.00 C ATOM 1246 CE1 PHE A 90 99.527 -6.865 4.699 1.00 0.00 C ATOM 1247 CE2 PHE A 90 101.734 -7.648 4.066 1.00 0.00 C ATOM 1248 CZ PHE A 90 100.656 -7.647 4.962 1.00 0.00 C ATOM 0 H PHE A 90 100.334 -3.563 -0.316 1.00 0.00 H new ATOM 0 HA PHE A 90 100.578 -3.378 2.547 1.00 0.00 H new ATOM 0 HB2 PHE A 90 99.449 -5.154 1.052 1.00 0.00 H new ATOM 0 HB3 PHE A 90 101.045 -5.710 0.591 1.00 0.00 H new ATOM 0 HD1 PHE A 90 98.601 -5.475 3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 90 102.511 -6.864 2.216 1.00 0.00 H new ATOM 0 HE1 PHE A 90 98.697 -6.866 5.389 1.00 0.00 H new ATOM 0 HE2 PHE A 90 102.605 -8.253 4.269 1.00 0.00 H new ATOM 0 HZ PHE A 90 100.697 -8.251 5.856 1.00 0.00 H new ATOM 1258 N THR A 91 103.331 -4.320 1.001 1.00 0.00 N ATOM 1259 CA THR A 91 104.805 -4.464 1.218 1.00 0.00 C ATOM 1260 C THR A 91 105.423 -3.131 1.644 1.00 0.00 C ATOM 1261 O THR A 91 106.304 -3.084 2.476 1.00 0.00 O ATOM 1262 CB THR A 91 105.378 -4.895 -0.137 1.00 0.00 C ATOM 1263 OG1 THR A 91 104.754 -6.099 -0.551 1.00 0.00 O ATOM 1264 CG2 THR A 91 106.881 -5.141 0.002 1.00 0.00 C ATOM 0 H THR A 91 103.012 -4.540 0.058 1.00 0.00 H new ATOM 0 HA THR A 91 105.022 -5.185 2.006 1.00 0.00 H new ATOM 0 HB THR A 91 105.196 -4.111 -0.872 1.00 0.00 H new ATOM 0 HG1 THR A 91 103.908 -5.891 -1.000 1.00 0.00 H new ATOM 0 HG21 THR A 91 107.290 -5.448 -0.961 1.00 0.00 H new ATOM 0 HG22 THR A 91 107.371 -4.224 0.329 1.00 0.00 H new ATOM 0 HG23 THR A 91 107.055 -5.927 0.737 1.00 0.00 H new ATOM 1272 N LYS A 92 104.986 -2.054 1.051 1.00 0.00 N ATOM 1273 CA LYS A 92 105.568 -0.724 1.409 1.00 0.00 C ATOM 1274 C LYS A 92 105.178 -0.315 2.829 1.00 0.00 C ATOM 1275 O LYS A 92 105.970 0.250 3.560 1.00 0.00 O ATOM 1276 CB LYS A 92 104.968 0.270 0.417 1.00 0.00 C ATOM 1277 CG LYS A 92 105.531 0.032 -0.986 1.00 0.00 C ATOM 1278 CD LYS A 92 105.049 1.146 -1.926 1.00 0.00 C ATOM 1279 CE LYS A 92 103.524 1.091 -2.063 1.00 0.00 C ATOM 1280 NZ LYS A 92 103.160 2.320 -2.821 1.00 0.00 N1+ ATOM 0 H LYS A 92 104.256 -2.034 0.339 1.00 0.00 H new ATOM 0 HA LYS A 92 106.657 -0.754 1.367 1.00 0.00 H new ATOM 0 HB2 LYS A 92 103.883 0.168 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 92 105.188 1.289 0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 92 106.620 0.014 -0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 92 105.207 -0.939 -1.360 1.00 0.00 H new ATOM 0 HD2 LYS A 92 105.353 2.118 -1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 92 105.515 1.034 -2.905 1.00 0.00 H new ATOM 0 HE2 LYS A 92 103.208 0.192 -2.593 1.00 0.00 H new ATOM 0 HE3 LYS A 92 103.041 1.072 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 102.126 2.433 -2.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 103.598 3.148 -2.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 103.501 2.238 -3.800 1.00 0.00 H new ATOM 1294 N LEU A 93 103.956 -0.573 3.212 1.00 0.00 N ATOM 1295 CA LEU A 93 103.498 -0.174 4.578 1.00 0.00 C ATOM 1296 C LEU A 93 104.159 -1.023 5.669 1.00 0.00 C ATOM 1297 O LEU A 93 104.543 -0.513 6.705 1.00 0.00 O ATOM 1298 CB LEU A 93 101.982 -0.392 4.563 1.00 0.00 C ATOM 1299 CG LEU A 93 101.372 -0.018 5.920 1.00 0.00 C ATOM 1300 CD1 LEU A 93 101.617 1.463 6.211 1.00 0.00 C ATOM 1301 CD2 LEU A 93 99.866 -0.284 5.887 1.00 0.00 C ATOM 0 H LEU A 93 103.254 -1.042 2.640 1.00 0.00 H new ATOM 0 HA LEU A 93 103.768 0.857 4.805 1.00 0.00 H new ATOM 0 HB2 LEU A 93 101.530 0.211 3.776 1.00 0.00 H new ATOM 0 HB3 LEU A 93 101.761 -1.434 4.333 1.00 0.00 H new ATOM 0 HG LEU A 93 101.838 -0.619 6.701 1.00 0.00 H new ATOM 0 HD11 LEU A 93 101.181 1.721 7.176 1.00 0.00 H new ATOM 0 HD12 LEU A 93 102.689 1.657 6.234 1.00 0.00 H new ATOM 0 HD13 LEU A 93 101.155 2.068 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 93 99.429 -0.019 6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 93 99.407 0.318 5.102 1.00 0.00 H new ATOM 0 HD23 LEU A 93 99.687 -1.340 5.685 1.00 0.00 H new ATOM 1313 N VAL A 94 104.259 -2.310 5.468 1.00 0.00 N ATOM 1314 CA VAL A 94 104.854 -3.194 6.525 1.00 0.00 C ATOM 1315 C VAL A 94 106.335 -3.481 6.260 1.00 0.00 C ATOM 1316 O VAL A 94 107.140 -3.514 7.172 1.00 0.00 O ATOM 1317 CB VAL A 94 104.028 -4.484 6.461 1.00 0.00 C ATOM 1318 CG1 VAL A 94 104.556 -5.499 7.480 1.00 0.00 C ATOM 1319 CG2 VAL A 94 102.565 -4.167 6.783 1.00 0.00 C ATOM 0 H VAL A 94 103.956 -2.791 4.621 1.00 0.00 H new ATOM 0 HA VAL A 94 104.820 -2.724 7.508 1.00 0.00 H new ATOM 0 HB VAL A 94 104.107 -4.906 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 94 103.962 -6.411 7.426 1.00 0.00 H new ATOM 0 HG12 VAL A 94 105.598 -5.730 7.257 1.00 0.00 H new ATOM 0 HG13 VAL A 94 104.484 -5.078 8.483 1.00 0.00 H new ATOM 0 HG21 VAL A 94 101.976 -5.083 6.738 1.00 0.00 H new ATOM 0 HG22 VAL A 94 102.497 -3.740 7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 94 102.179 -3.452 6.057 1.00 0.00 H new ATOM 1329 N GLY A 95 106.696 -3.697 5.027 1.00 0.00 N ATOM 1330 CA GLY A 95 108.119 -3.993 4.693 1.00 0.00 C ATOM 1331 C GLY A 95 108.220 -5.369 4.028 1.00 0.00 C ATOM 1332 O GLY A 95 109.134 -5.629 3.268 1.00 0.00 O ATOM 0 H GLY A 95 106.062 -3.681 4.228 1.00 0.00 H new ATOM 0 HA2 GLY A 95 108.513 -3.226 4.025 1.00 0.00 H new ATOM 0 HA3 GLY A 95 108.727 -3.970 5.598 1.00 0.00 H new ATOM 1336 N SER A 96 107.287 -6.250 4.300 1.00 0.00 N ATOM 1337 CA SER A 96 107.329 -7.607 3.675 1.00 0.00 C ATOM 1338 C SER A 96 105.910 -8.156 3.500 1.00 0.00 C ATOM 1339 O SER A 96 104.977 -7.697 4.133 1.00 0.00 O ATOM 1340 CB SER A 96 108.122 -8.472 4.653 1.00 0.00 C ATOM 1341 OG SER A 96 107.351 -8.679 5.829 1.00 0.00 O ATOM 0 H SER A 96 106.500 -6.087 4.927 1.00 0.00 H new ATOM 0 HA SER A 96 107.786 -7.589 2.685 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.368 -9.429 4.193 1.00 0.00 H new ATOM 0 HB3 SER A 96 109.065 -7.987 4.903 1.00 0.00 H new ATOM 0 HG SER A 96 107.857 -9.235 6.458 1.00 0.00 H new ATOM 1347 N THR A 97 105.741 -9.134 2.644 1.00 0.00 N ATOM 1348 CA THR A 97 104.379 -9.716 2.422 1.00 0.00 C ATOM 1349 C THR A 97 104.192 -11.019 3.217 1.00 0.00 C ATOM 1350 O THR A 97 103.164 -11.663 3.130 1.00 0.00 O ATOM 1351 CB THR A 97 104.302 -10.001 0.919 1.00 0.00 C ATOM 1352 OG1 THR A 97 105.325 -10.921 0.562 1.00 0.00 O ATOM 1353 CG2 THR A 97 104.491 -8.704 0.137 1.00 0.00 C ATOM 0 H THR A 97 106.486 -9.555 2.089 1.00 0.00 H new ATOM 0 HA THR A 97 103.598 -9.033 2.757 1.00 0.00 H new ATOM 0 HB THR A 97 103.326 -10.425 0.681 1.00 0.00 H new ATOM 0 HG1 THR A 97 105.277 -11.107 -0.399 1.00 0.00 H new ATOM 0 HG21 THR A 97 104.435 -8.912 -0.932 1.00 0.00 H new ATOM 0 HG22 THR A 97 103.708 -7.997 0.410 1.00 0.00 H new ATOM 0 HG23 THR A 97 105.465 -8.275 0.373 1.00 0.00 H new ATOM 1361 N GLU A 98 105.178 -11.412 3.976 1.00 0.00 N ATOM 1362 CA GLU A 98 105.075 -12.678 4.772 1.00 0.00 C ATOM 1363 C GLU A 98 104.070 -12.538 5.921 1.00 0.00 C ATOM 1364 O GLU A 98 103.483 -13.510 6.360 1.00 0.00 O ATOM 1365 CB GLU A 98 106.480 -12.921 5.324 1.00 0.00 C ATOM 1366 CG GLU A 98 107.417 -13.311 4.182 1.00 0.00 C ATOM 1367 CD GLU A 98 108.822 -13.554 4.736 1.00 0.00 C ATOM 1368 OE1 GLU A 98 109.090 -14.670 5.148 1.00 0.00 O ATOM 1369 OE2 GLU A 98 109.606 -12.619 4.738 1.00 0.00 O1- ATOM 0 H GLU A 98 106.059 -10.909 4.083 1.00 0.00 H new ATOM 0 HA GLU A 98 104.722 -13.505 4.155 1.00 0.00 H new ATOM 0 HB2 GLU A 98 106.848 -12.022 5.819 1.00 0.00 H new ATOM 0 HB3 GLU A 98 106.456 -13.711 6.074 1.00 0.00 H new ATOM 0 HG2 GLU A 98 107.049 -14.210 3.686 1.00 0.00 H new ATOM 0 HG3 GLU A 98 107.442 -12.521 3.432 1.00 0.00 H new ATOM 1376 N ALA A 99 103.891 -11.345 6.431 1.00 0.00 N ATOM 1377 CA ALA A 99 102.947 -11.148 7.579 1.00 0.00 C ATOM 1378 C ALA A 99 101.524 -11.576 7.208 1.00 0.00 C ATOM 1379 O ALA A 99 100.829 -12.183 8.001 1.00 0.00 O ATOM 1380 CB ALA A 99 102.991 -9.649 7.878 1.00 0.00 C ATOM 0 H ALA A 99 104.356 -10.498 6.104 1.00 0.00 H new ATOM 0 HA ALA A 99 103.234 -11.752 8.440 1.00 0.00 H new ATOM 0 HB1 ALA A 99 102.323 -9.424 8.710 1.00 0.00 H new ATOM 0 HB2 ALA A 99 104.009 -9.360 8.141 1.00 0.00 H new ATOM 0 HB3 ALA A 99 102.672 -9.093 6.996 1.00 0.00 H new ATOM 1386 N GLY A 100 101.084 -11.268 6.015 1.00 0.00 N ATOM 1387 CA GLY A 100 99.703 -11.660 5.599 1.00 0.00 C ATOM 1388 C GLY A 100 98.719 -10.550 5.980 1.00 0.00 C ATOM 1389 O GLY A 100 98.138 -9.907 5.126 1.00 0.00 O ATOM 0 H GLY A 100 101.621 -10.762 5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 100 99.672 -11.835 4.524 1.00 0.00 H new ATOM 0 HA3 GLY A 100 99.418 -12.595 6.082 1.00 0.00 H new ATOM 1393 N ARG A 101 98.528 -10.322 7.258 1.00 0.00 N ATOM 1394 CA ARG A 101 97.585 -9.255 7.701 1.00 0.00 C ATOM 1395 C ARG A 101 98.015 -8.685 9.058 1.00 0.00 C ATOM 1396 O ARG A 101 98.691 -9.343 9.828 1.00 0.00 O ATOM 1397 CB ARG A 101 96.227 -9.951 7.807 1.00 0.00 C ATOM 1398 CG ARG A 101 96.290 -11.084 8.836 1.00 0.00 C ATOM 1399 CD ARG A 101 94.936 -11.788 8.884 1.00 0.00 C ATOM 1400 NE ARG A 101 94.900 -12.632 7.658 1.00 0.00 N ATOM 1401 CZ ARG A 101 94.121 -13.677 7.607 1.00 0.00 C ATOM 1402 NH1 ARG A 101 92.825 -13.525 7.554 1.00 0.00 N1+ ATOM 1403 NH2 ARG A 101 94.636 -14.876 7.606 1.00 0.00 N ATOM 0 H ARG A 101 98.987 -10.832 8.012 1.00 0.00 H new ATOM 0 HA ARG A 101 97.559 -8.414 7.009 1.00 0.00 H new ATOM 0 HB2 ARG A 101 95.463 -9.230 8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 101 95.938 -10.349 6.834 1.00 0.00 H new ATOM 0 HG2 ARG A 101 97.074 -11.793 8.568 1.00 0.00 H new ATOM 0 HG3 ARG A 101 96.543 -10.686 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 101 94.838 -12.395 9.784 1.00 0.00 H new ATOM 0 HD3 ARG A 101 94.117 -11.069 8.893 1.00 0.00 H new ATOM 0 HE ARG A 101 95.485 -12.393 6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 101 92.421 -12.588 7.552 1.00 0.00 H new ATOM 0 HH12 ARG A 101 92.217 -14.343 7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 101 95.648 -14.996 7.645 1.00 0.00 H new ATOM 0 HH22 ARG A 101 94.026 -15.693 7.566 1.00 0.00 H new ATOM 1417 N VAL A 102 97.620 -7.473 9.357 1.00 0.00 N ATOM 1418 CA VAL A 102 97.995 -6.864 10.671 1.00 0.00 C ATOM 1419 C VAL A 102 96.738 -6.359 11.386 1.00 0.00 C ATOM 1420 O VAL A 102 96.043 -5.494 10.892 1.00 0.00 O ATOM 1421 CB VAL A 102 98.925 -5.695 10.325 1.00 0.00 C ATOM 1422 CG1 VAL A 102 99.404 -5.022 11.614 1.00 0.00 C ATOM 1423 CG2 VAL A 102 100.138 -6.214 9.545 1.00 0.00 C ATOM 0 H VAL A 102 97.055 -6.879 8.750 1.00 0.00 H new ATOM 0 HA VAL A 102 98.480 -7.579 11.336 1.00 0.00 H new ATOM 0 HB VAL A 102 98.382 -4.973 9.715 1.00 0.00 H new ATOM 0 HG11 VAL A 102 100.065 -4.191 11.367 1.00 0.00 H new ATOM 0 HG12 VAL A 102 98.544 -4.649 12.171 1.00 0.00 H new ATOM 0 HG13 VAL A 102 99.944 -5.746 12.224 1.00 0.00 H new ATOM 0 HG21 VAL A 102 100.797 -5.381 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 102 100.679 -6.938 10.154 1.00 0.00 H new ATOM 0 HG23 VAL A 102 99.802 -6.692 8.625 1.00 0.00 H new ATOM 1433 N ASP A 103 96.435 -6.905 12.535 1.00 0.00 N ATOM 1434 CA ASP A 103 95.212 -6.469 13.276 1.00 0.00 C ATOM 1435 C ASP A 103 95.485 -5.171 14.041 1.00 0.00 C ATOM 1436 O ASP A 103 96.612 -4.733 14.159 1.00 0.00 O ATOM 1437 CB ASP A 103 94.900 -7.610 14.246 1.00 0.00 C ATOM 1438 CG ASP A 103 94.409 -8.844 13.478 1.00 0.00 C ATOM 1439 OD1 ASP A 103 93.969 -8.689 12.351 1.00 0.00 O1- ATOM 1440 OD2 ASP A 103 94.481 -9.927 14.035 1.00 0.00 O ATOM 0 H ASP A 103 96.981 -7.634 12.993 1.00 0.00 H new ATOM 0 HA ASP A 103 94.377 -6.269 12.604 1.00 0.00 H new ATOM 0 HB2 ASP A 103 95.792 -7.862 14.820 1.00 0.00 H new ATOM 0 HB3 ASP A 103 94.140 -7.292 14.960 1.00 0.00 H new ATOM 1445 N ASN A 104 94.448 -4.556 14.565 1.00 0.00 N ATOM 1446 CA ASN A 104 94.613 -3.280 15.339 1.00 0.00 C ATOM 1447 C ASN A 104 95.237 -2.182 14.476 1.00 0.00 C ATOM 1448 O ASN A 104 96.216 -1.561 14.849 1.00 0.00 O ATOM 1449 CB ASN A 104 95.522 -3.615 16.529 1.00 0.00 C ATOM 1450 CG ASN A 104 95.545 -2.432 17.497 1.00 0.00 C ATOM 1451 OD1 ASN A 104 96.546 -1.755 17.624 1.00 0.00 O ATOM 1452 ND2 ASN A 104 94.475 -2.148 18.187 1.00 0.00 N ATOM 0 H ASN A 104 93.486 -4.886 14.489 1.00 0.00 H new ATOM 0 HA ASN A 104 93.646 -2.900 15.669 1.00 0.00 H new ATOM 0 HB2 ASN A 104 95.160 -4.509 17.037 1.00 0.00 H new ATOM 0 HB3 ASN A 104 96.531 -3.834 16.180 1.00 0.00 H new ATOM 0 HD21 ASN A 104 94.479 -1.358 18.832 1.00 0.00 H new ATOM 0 HD22 ASN A 104 93.634 -2.716 18.081 1.00 0.00 H new ATOM 1459 N VAL A 105 94.670 -1.949 13.324 1.00 0.00 N ATOM 1460 CA VAL A 105 95.222 -0.894 12.421 1.00 0.00 C ATOM 1461 C VAL A 105 94.422 0.403 12.563 1.00 0.00 C ATOM 1462 O VAL A 105 93.209 0.399 12.491 1.00 0.00 O ATOM 1463 CB VAL A 105 95.091 -1.454 11.004 1.00 0.00 C ATOM 1464 CG1 VAL A 105 95.628 -0.436 9.987 1.00 0.00 C ATOM 1465 CG2 VAL A 105 95.886 -2.761 10.893 1.00 0.00 C ATOM 0 H VAL A 105 93.851 -2.441 12.968 1.00 0.00 H new ATOM 0 HA VAL A 105 96.258 -0.656 12.664 1.00 0.00 H new ATOM 0 HB VAL A 105 94.040 -1.649 10.792 1.00 0.00 H new ATOM 0 HG11 VAL A 105 95.531 -0.842 8.980 1.00 0.00 H new ATOM 0 HG12 VAL A 105 95.056 0.489 10.062 1.00 0.00 H new ATOM 0 HG13 VAL A 105 96.678 -0.232 10.197 1.00 0.00 H new ATOM 0 HG21 VAL A 105 95.792 -3.159 9.883 1.00 0.00 H new ATOM 0 HG22 VAL A 105 96.936 -2.568 11.111 1.00 0.00 H new ATOM 0 HG23 VAL A 105 95.495 -3.486 11.607 1.00 0.00 H new ATOM 1475 N ASN A 106 95.091 1.513 12.760 1.00 0.00 N ATOM 1476 CA ASN A 106 94.349 2.800 12.898 1.00 0.00 C ATOM 1477 C ASN A 106 94.155 3.437 11.520 1.00 0.00 C ATOM 1478 O ASN A 106 95.038 3.429 10.684 1.00 0.00 O ATOM 1479 CB ASN A 106 95.190 3.686 13.814 1.00 0.00 C ATOM 1480 CG ASN A 106 94.433 4.986 14.098 1.00 0.00 C ATOM 1481 OD1 ASN A 106 93.228 4.980 14.249 1.00 0.00 O ATOM 1482 ND2 ASN A 106 95.094 6.108 14.177 1.00 0.00 N ATOM 0 H ASN A 106 96.106 1.582 12.830 1.00 0.00 H new ATOM 0 HA ASN A 106 93.355 2.656 13.322 1.00 0.00 H new ATOM 0 HB2 ASN A 106 95.403 3.165 14.747 1.00 0.00 H new ATOM 0 HB3 ASN A 106 96.149 3.906 13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 106 94.599 6.980 14.366 1.00 0.00 H new ATOM 0 HD22 ASN A 106 96.106 6.114 14.050 1.00 0.00 H new ATOM 1489 N TYR A 107 92.990 3.975 11.287 1.00 0.00 N ATOM 1490 CA TYR A 107 92.688 4.611 9.968 1.00 0.00 C ATOM 1491 C TYR A 107 92.024 5.978 10.169 1.00 0.00 C ATOM 1492 O TYR A 107 91.210 6.156 11.055 1.00 0.00 O ATOM 1493 CB TYR A 107 91.724 3.645 9.260 1.00 0.00 C ATOM 1494 CG TYR A 107 90.541 3.332 10.153 1.00 0.00 C ATOM 1495 CD1 TYR A 107 89.393 4.130 10.105 1.00 0.00 C ATOM 1496 CD2 TYR A 107 90.601 2.242 11.032 1.00 0.00 C ATOM 1497 CE1 TYR A 107 88.303 3.838 10.936 1.00 0.00 C ATOM 1498 CE2 TYR A 107 89.513 1.951 11.862 1.00 0.00 C ATOM 1499 CZ TYR A 107 88.363 2.749 11.814 1.00 0.00 C ATOM 1500 OH TYR A 107 87.291 2.463 12.634 1.00 0.00 O ATOM 0 H TYR A 107 92.224 4.003 11.960 1.00 0.00 H new ATOM 0 HA TYR A 107 93.593 4.782 9.385 1.00 0.00 H new ATOM 0 HB2 TYR A 107 91.376 4.087 8.326 1.00 0.00 H new ATOM 0 HB3 TYR A 107 92.246 2.724 9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 107 89.347 4.970 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 107 91.488 1.626 11.069 1.00 0.00 H new ATOM 0 HE1 TYR A 107 87.416 4.453 10.899 1.00 0.00 H new ATOM 0 HE2 TYR A 107 89.560 1.111 12.540 1.00 0.00 H new ATOM 0 HH TYR A 107 87.497 1.675 13.179 1.00 0.00 H new ATOM 1510 N VAL A 108 92.375 6.945 9.353 1.00 0.00 N ATOM 1511 CA VAL A 108 91.772 8.309 9.499 1.00 0.00 C ATOM 1512 C VAL A 108 91.603 8.991 8.135 1.00 0.00 C ATOM 1513 O VAL A 108 92.436 8.867 7.259 1.00 0.00 O ATOM 1514 CB VAL A 108 92.759 9.094 10.372 1.00 0.00 C ATOM 1515 CG1 VAL A 108 92.862 8.431 11.746 1.00 0.00 C ATOM 1516 CG2 VAL A 108 94.143 9.113 9.710 1.00 0.00 C ATOM 0 H VAL A 108 93.051 6.849 8.595 1.00 0.00 H new ATOM 0 HA VAL A 108 90.777 8.260 9.942 1.00 0.00 H new ATOM 0 HB VAL A 108 92.401 10.118 10.484 1.00 0.00 H new ATOM 0 HG11 VAL A 108 93.563 8.988 12.367 1.00 0.00 H new ATOM 0 HG12 VAL A 108 91.881 8.425 12.222 1.00 0.00 H new ATOM 0 HG13 VAL A 108 93.215 7.406 11.630 1.00 0.00 H new ATOM 0 HG21 VAL A 108 94.838 9.672 10.336 1.00 0.00 H new ATOM 0 HG22 VAL A 108 94.503 8.091 9.591 1.00 0.00 H new ATOM 0 HG23 VAL A 108 94.072 9.589 8.732 1.00 0.00 H new ATOM 1526 N GLN A 109 90.532 9.727 7.967 1.00 0.00 N ATOM 1527 CA GLN A 109 90.295 10.446 6.675 1.00 0.00 C ATOM 1528 C GLN A 109 91.277 11.606 6.522 1.00 0.00 C ATOM 1529 O GLN A 109 91.566 12.318 7.465 1.00 0.00 O ATOM 1530 CB GLN A 109 88.866 10.985 6.763 1.00 0.00 C ATOM 1531 CG GLN A 109 88.485 11.650 5.442 1.00 0.00 C ATOM 1532 CD GLN A 109 87.037 12.137 5.511 1.00 0.00 C ATOM 1533 OE1 GLN A 109 86.632 12.744 6.482 1.00 0.00 O ATOM 1534 NE2 GLN A 109 86.233 11.891 4.513 1.00 0.00 N ATOM 0 H GLN A 109 89.808 9.862 8.672 1.00 0.00 H new ATOM 0 HA GLN A 109 90.434 9.786 5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 109 88.174 10.173 6.986 1.00 0.00 H new ATOM 0 HB3 GLN A 109 88.788 11.703 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 109 89.152 12.488 5.240 1.00 0.00 H new ATOM 0 HG3 GLN A 109 88.603 10.943 4.620 1.00 0.00 H new ATOM 0 HE21 GLN A 109 86.573 11.381 3.698 1.00 0.00 H new ATOM 0 HE22 GLN A 109 85.264 12.208 4.548 1.00 0.00 H new ATOM 1543 N VAL A 110 91.780 11.799 5.331 1.00 0.00 N ATOM 1544 CA VAL A 110 92.739 12.913 5.091 1.00 0.00 C ATOM 1545 C VAL A 110 92.302 13.731 3.867 1.00 0.00 C ATOM 1546 O VAL A 110 91.495 13.287 3.073 1.00 0.00 O ATOM 1547 CB VAL A 110 94.098 12.246 4.856 1.00 0.00 C ATOM 1548 CG1 VAL A 110 94.489 11.435 6.093 1.00 0.00 C ATOM 1549 CG2 VAL A 110 94.018 11.310 3.645 1.00 0.00 C ATOM 0 H VAL A 110 91.566 11.230 4.512 1.00 0.00 H new ATOM 0 HA VAL A 110 92.783 13.606 5.931 1.00 0.00 H new ATOM 0 HB VAL A 110 94.845 13.017 4.668 1.00 0.00 H new ATOM 0 HG11 VAL A 110 95.456 10.960 5.926 1.00 0.00 H new ATOM 0 HG12 VAL A 110 94.554 12.097 6.956 1.00 0.00 H new ATOM 0 HG13 VAL A 110 93.736 10.669 6.279 1.00 0.00 H new ATOM 0 HG21 VAL A 110 94.988 10.839 3.484 1.00 0.00 H new ATOM 0 HG22 VAL A 110 93.268 10.541 3.828 1.00 0.00 H new ATOM 0 HG23 VAL A 110 93.741 11.883 2.760 1.00 0.00 H new ATOM 1559 N ASP A 111 92.827 14.921 3.717 1.00 0.00 N ATOM 1560 CA ASP A 111 92.439 15.776 2.549 1.00 0.00 C ATOM 1561 C ASP A 111 92.776 15.068 1.230 1.00 0.00 C ATOM 1562 O ASP A 111 93.791 14.408 1.109 1.00 0.00 O ATOM 1563 CB ASP A 111 93.266 17.054 2.699 1.00 0.00 C ATOM 1564 CG ASP A 111 92.757 17.863 3.897 1.00 0.00 C ATOM 1565 OD1 ASP A 111 91.577 17.770 4.196 1.00 0.00 O1- ATOM 1566 OD2 ASP A 111 93.557 18.563 4.495 1.00 0.00 O ATOM 0 H ASP A 111 93.507 15.339 4.352 1.00 0.00 H new ATOM 0 HA ASP A 111 91.369 15.982 2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 111 94.318 16.804 2.838 1.00 0.00 H new ATOM 0 HB3 ASP A 111 93.198 17.651 1.790 1.00 0.00 H new ATOM 1571 N LEU A 112 91.921 15.198 0.247 1.00 0.00 N ATOM 1572 CA LEU A 112 92.163 14.534 -1.076 1.00 0.00 C ATOM 1573 C LEU A 112 93.467 15.018 -1.713 1.00 0.00 C ATOM 1574 O LEU A 112 94.190 14.248 -2.318 1.00 0.00 O ATOM 1575 CB LEU A 112 90.972 14.939 -1.949 1.00 0.00 C ATOM 1576 CG LEU A 112 91.110 14.311 -3.345 1.00 0.00 C ATOM 1577 CD1 LEU A 112 89.744 13.849 -3.850 1.00 0.00 C ATOM 1578 CD2 LEU A 112 91.677 15.353 -4.313 1.00 0.00 C ATOM 0 H LEU A 112 91.058 15.739 0.302 1.00 0.00 H new ATOM 0 HA LEU A 112 92.255 13.453 -0.966 1.00 0.00 H new ATOM 0 HB2 LEU A 112 90.042 14.613 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 112 90.923 16.025 -2.032 1.00 0.00 H new ATOM 0 HG LEU A 112 91.779 13.453 -3.286 1.00 0.00 H new ATOM 0 HD11 LEU A 112 89.853 13.406 -4.840 1.00 0.00 H new ATOM 0 HD12 LEU A 112 89.334 13.108 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 112 89.069 14.703 -3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 112 91.777 14.912 -5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 112 91.003 16.208 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 112 92.655 15.681 -3.962 1.00 0.00 H new ATOM 1590 N SER A 113 93.755 16.288 -1.612 1.00 0.00 N ATOM 1591 CA SER A 113 94.998 16.831 -2.244 1.00 0.00 C ATOM 1592 C SER A 113 96.237 16.078 -1.750 1.00 0.00 C ATOM 1593 O SER A 113 97.190 15.901 -2.482 1.00 0.00 O ATOM 1594 CB SER A 113 95.060 18.296 -1.813 1.00 0.00 C ATOM 1595 OG SER A 113 95.355 18.364 -0.424 1.00 0.00 O ATOM 0 H SER A 113 93.184 16.975 -1.119 1.00 0.00 H new ATOM 0 HA SER A 113 94.978 16.721 -3.328 1.00 0.00 H new ATOM 0 HB2 SER A 113 95.823 18.823 -2.385 1.00 0.00 H new ATOM 0 HB3 SER A 113 94.110 18.788 -2.019 1.00 0.00 H new ATOM 0 HG SER A 113 95.397 19.302 -0.144 1.00 0.00 H new ATOM 1601 N ASN A 114 96.240 15.651 -0.514 1.00 0.00 N ATOM 1602 CA ASN A 114 97.430 14.922 0.030 1.00 0.00 C ATOM 1603 C ASN A 114 97.569 13.532 -0.601 1.00 0.00 C ATOM 1604 O ASN A 114 98.666 13.018 -0.727 1.00 0.00 O ATOM 1605 CB ASN A 114 97.187 14.813 1.535 1.00 0.00 C ATOM 1606 CG ASN A 114 97.314 16.197 2.172 1.00 0.00 C ATOM 1607 OD1 ASN A 114 98.028 17.044 1.672 1.00 0.00 O ATOM 1608 ND2 ASN A 114 96.647 16.466 3.260 1.00 0.00 N ATOM 0 H ASN A 114 95.471 15.774 0.144 1.00 0.00 H new ATOM 0 HA ASN A 114 98.357 15.450 -0.195 1.00 0.00 H new ATOM 0 HB2 ASN A 114 96.195 14.403 1.726 1.00 0.00 H new ATOM 0 HB3 ASN A 114 97.907 14.127 1.982 1.00 0.00 H new ATOM 0 HD21 ASN A 114 96.725 17.387 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 114 96.048 15.755 3.680 1.00 0.00 H new ATOM 1615 N CYS A 115 96.484 12.930 -1.023 1.00 0.00 N ATOM 1616 CA CYS A 115 96.587 11.588 -1.677 1.00 0.00 C ATOM 1617 C CYS A 115 97.247 11.745 -3.039 1.00 0.00 C ATOM 1618 O CYS A 115 98.134 11.003 -3.404 1.00 0.00 O ATOM 1619 CB CYS A 115 95.151 11.109 -1.864 1.00 0.00 C ATOM 1620 SG CYS A 115 94.386 10.844 -0.252 1.00 0.00 S ATOM 0 H CYS A 115 95.539 13.306 -0.944 1.00 0.00 H new ATOM 0 HA CYS A 115 97.176 10.888 -1.084 1.00 0.00 H new ATOM 0 HB2 CYS A 115 94.582 11.846 -2.431 1.00 0.00 H new ATOM 0 HB3 CYS A 115 95.138 10.184 -2.440 1.00 0.00 H new ATOM 1625 N ILE A 116 96.802 12.711 -3.790 1.00 0.00 N ATOM 1626 CA ILE A 116 97.381 12.945 -5.142 1.00 0.00 C ATOM 1627 C ILE A 116 98.808 13.487 -5.018 1.00 0.00 C ATOM 1628 O ILE A 116 99.687 13.112 -5.767 1.00 0.00 O ATOM 1629 CB ILE A 116 96.434 13.941 -5.817 1.00 0.00 C ATOM 1630 CG1 ILE A 116 95.040 13.314 -5.915 1.00 0.00 C ATOM 1631 CG2 ILE A 116 96.938 14.268 -7.221 1.00 0.00 C ATOM 1632 CD1 ILE A 116 94.021 14.366 -6.353 1.00 0.00 C ATOM 0 H ILE A 116 96.056 13.354 -3.524 1.00 0.00 H new ATOM 0 HA ILE A 116 97.462 12.032 -5.732 1.00 0.00 H new ATOM 0 HB ILE A 116 96.392 14.858 -5.229 1.00 0.00 H new ATOM 0 HG12 ILE A 116 95.053 12.490 -6.628 1.00 0.00 H new ATOM 0 HG13 ILE A 116 94.752 12.897 -4.950 1.00 0.00 H new ATOM 0 HG21 ILE A 116 96.259 14.977 -7.695 1.00 0.00 H new ATOM 0 HG22 ILE A 116 97.934 14.706 -7.157 1.00 0.00 H new ATOM 0 HG23 ILE A 116 96.981 13.355 -7.814 1.00 0.00 H new ATOM 0 HD11 ILE A 116 93.033 13.910 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 116 93.998 15.176 -5.624 1.00 0.00 H new ATOM 0 HD13 ILE A 116 94.304 14.763 -7.328 1.00 0.00 H new ATOM 1644 N ASN A 117 99.042 14.366 -4.075 1.00 0.00 N ATOM 1645 CA ASN A 117 100.418 14.931 -3.896 1.00 0.00 C ATOM 1646 C ASN A 117 101.403 13.832 -3.479 1.00 0.00 C ATOM 1647 O ASN A 117 102.537 13.807 -3.920 1.00 0.00 O ATOM 1648 CB ASN A 117 100.292 15.975 -2.785 1.00 0.00 C ATOM 1649 CG ASN A 117 99.500 17.180 -3.295 1.00 0.00 C ATOM 1650 OD1 ASN A 117 99.483 17.454 -4.478 1.00 0.00 O ATOM 1651 ND2 ASN A 117 98.842 17.921 -2.444 1.00 0.00 N ATOM 0 H ASN A 117 98.342 14.717 -3.422 1.00 0.00 H new ATOM 0 HA ASN A 117 100.796 15.364 -4.822 1.00 0.00 H new ATOM 0 HB2 ASN A 117 99.793 15.540 -1.919 1.00 0.00 H new ATOM 0 HB3 ASN A 117 101.282 16.291 -2.456 1.00 0.00 H new ATOM 0 HD21 ASN A 117 98.314 18.729 -2.773 1.00 0.00 H new ATOM 0 HD22 ASN A 117 98.856 17.691 -1.450 1.00 0.00 H new ATOM 1658 N GLY A 118 100.984 12.938 -2.619 1.00 0.00 N ATOM 1659 CA GLY A 118 101.897 11.852 -2.150 1.00 0.00 C ATOM 1660 C GLY A 118 101.910 10.682 -3.140 1.00 0.00 C ATOM 1661 O GLY A 118 102.943 10.322 -3.673 1.00 0.00 O ATOM 0 H GLY A 118 100.045 12.914 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 118 102.907 12.246 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 118 101.576 11.500 -1.169 1.00 0.00 H new ATOM 1665 N ALA A 119 100.775 10.079 -3.370 1.00 0.00 N ATOM 1666 CA ALA A 119 100.708 8.912 -4.306 1.00 0.00 C ATOM 1667 C ALA A 119 101.167 9.304 -5.714 1.00 0.00 C ATOM 1668 O ALA A 119 101.886 8.570 -6.364 1.00 0.00 O ATOM 1669 CB ALA A 119 99.235 8.496 -4.323 1.00 0.00 C ATOM 0 H ALA A 119 99.885 10.344 -2.949 1.00 0.00 H new ATOM 0 HA ALA A 119 101.363 8.103 -3.983 1.00 0.00 H new ATOM 0 HB1 ALA A 119 99.105 7.643 -4.989 1.00 0.00 H new ATOM 0 HB2 ALA A 119 98.923 8.220 -3.316 1.00 0.00 H new ATOM 0 HB3 ALA A 119 98.626 9.328 -4.676 1.00 0.00 H new ATOM 1675 N ASN A 120 100.753 10.453 -6.194 1.00 0.00 N ATOM 1676 CA ASN A 120 101.157 10.901 -7.570 1.00 0.00 C ATOM 1677 C ASN A 120 100.859 9.809 -8.606 1.00 0.00 C ATOM 1678 O ASN A 120 101.359 9.919 -9.714 1.00 0.00 O ATOM 1679 CB ASN A 120 102.663 11.169 -7.489 1.00 0.00 C ATOM 1680 CG ASN A 120 102.916 12.436 -6.669 1.00 0.00 C ATOM 1681 OD1 ASN A 120 102.046 13.273 -6.534 1.00 0.00 O ATOM 1682 ND2 ASN A 120 104.084 12.617 -6.115 1.00 0.00 N ATOM 1683 OXT ASN A 120 100.139 8.883 -8.272 1.00 0.00 O ATOM 0 H ASN A 120 100.150 11.104 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 120 100.605 11.788 -7.882 1.00 0.00 H new ATOM 0 HB2 ASN A 120 103.169 10.320 -7.030 1.00 0.00 H new ATOM 0 HB3 ASN A 120 103.077 11.284 -8.491 1.00 0.00 H new ATOM 0 HD21 ASN A 120 104.265 13.460 -5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 120 104.816 11.915 -6.227 1.00 0.00 H new