USER MOD reduce.3.24.130724 H: found=0, std=0, add=1216, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1214 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 MET CE :methyl -174:sc= 0 (180deg=-0.0202) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0.995 (180deg=0.442) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.883 K(o=-0.88,f=-6.4!) USER MOD Single : A 12 GLN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00163 USER MOD Single : A 29 ASN : amide:sc= -10.4! C(o=-10!,f=-22!) USER MOD Single : A 31 GLN : amide:sc= -15.2! C(o=-15!,f=-22!) USER MOD Single : A 33 CYS SG : rot 147:sc= -8.88! USER MOD Single : A 34 TYR OH : rot 30:sc= -0.0786 USER MOD Single : A 39 ASN : amide:sc= -10.2! C(o=-10!,f=-11!) USER MOD Single : A 41 HIS : no HD1:sc= -3.98! C(o=-4!,f=-6.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 130:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.267 K(o=-0.27,f=-3!) USER MOD Single : A 56 TYR OH : rot -19:sc= 0.191 USER MOD Single : A 61 TYR OH : rot 16:sc= 0.341 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.356 USER MOD Single : A 64 HIS : no HD1:sc= -0.767 K(o=-0.77,f=-3.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -145:sc= -1.41 USER MOD Single : A 69 LYS NZ :NH3+ -179:sc= -0.0823 (180deg=-0.085) USER MOD Single : A 72 GLN : amide:sc= -3.15! K(o=-3.1!,f=-1.2) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET CE :methyl -174:sc=-0.000124 (180deg=-0.0284) USER MOD Single : B 1 MET N :NH3+ -151:sc= 0.838 (180deg=0.541) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -0.813 K(o=-0.81,f=-6.4!) USER MOD Single : B 12 GLN : amide:sc= -0.0856 X(o=-0.086,f=0) USER MOD Single : B 14 THR OG1 : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 180:sc= 0.00337 USER MOD Single : B 29 ASN : amide:sc= -10.4! C(o=-10!,f=-22!) USER MOD Single : B 31 GLN : amide:sc= -15.4! C(o=-15!,f=-22!) USER MOD Single : B 33 CYS SG : rot 147:sc= -8.85! USER MOD Single : B 34 TYR OH : rot 30:sc= -0.0435 USER MOD Single : B 39 ASN : amide:sc= -9.87! C(o=-9.9!,f=-11!) USER MOD Single : B 41 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-6!) USER MOD Single : B 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 THR OG1 : rot 130:sc= 0 USER MOD Single : B 53 GLN : amide:sc= -0.256 K(o=-0.26,f=-2.7!) USER MOD Single : B 56 TYR OH : rot -18:sc= 0.217 USER MOD Single : B 61 TYR OH : rot 17:sc= 0.36 USER MOD Single : B 62 THR OG1 : rot 180:sc= -0.455 USER MOD Single : B 64 HIS : no HD1:sc= -0.739 K(o=-0.74,f=-4!) USER MOD Single : B 66 SER OG : rot 180:sc=-0.00576 USER MOD Single : B 67 SER OG : rot -132:sc= -1.44 USER MOD Single : B 69 LYS NZ :NH3+ -179:sc= -0.0781 (180deg=-0.0794) USER MOD Single : B 72 GLN : amide:sc= -2.98! K(o=-3!,f=-1.1) USER MOD Single : B 75 SER OG : rot 180:sc= 0 USER MOD Single : B 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.623 17.901 3.678 1.00 42.32 N ATOM 2 CA MET A 1 -1.545 16.897 3.453 1.00 40.89 C ATOM 3 C MET A 1 -1.573 15.862 4.579 1.00 34.75 C ATOM 4 O MET A 1 -2.154 16.084 5.622 1.00 33.97 O ATOM 5 CB MET A 1 -0.182 17.605 3.442 1.00 48.45 C ATOM 6 CG MET A 1 0.270 17.891 4.880 1.00 56.13 C ATOM 7 SD MET A 1 -0.866 19.074 5.646 1.00 64.91 S ATOM 8 CE MET A 1 -0.085 20.580 5.016 1.00 63.43 C ATOM 0 H1 MET A 1 -2.730 18.492 2.829 1.00 42.32 H new ATOM 0 H2 MET A 1 -3.519 17.410 3.873 1.00 42.32 H new ATOM 0 H3 MET A 1 -2.374 18.502 4.489 1.00 42.32 H new ATOM 0 HA MET A 1 -1.703 16.399 2.496 1.00 40.89 H new ATOM 0 HB2 MET A 1 0.557 16.983 2.936 1.00 48.45 H new ATOM 0 HB3 MET A 1 -0.251 18.537 2.881 1.00 48.45 H new ATOM 0 HG2 MET A 1 0.292 16.966 5.456 1.00 56.13 H new ATOM 0 HG3 MET A 1 1.284 18.291 4.881 1.00 56.13 H new ATOM 0 HE1 MET A 1 -0.567 21.452 5.457 1.00 63.43 H new ATOM 0 HE2 MET A 1 0.973 20.579 5.279 1.00 63.43 H new ATOM 0 HE3 MET A 1 -0.189 20.618 3.932 1.00 63.43 H new ATOM 20 N ILE A 2 -0.935 14.740 4.385 1.00 28.59 N ATOM 21 CA ILE A 2 -0.914 13.707 5.459 1.00 24.58 C ATOM 22 C ILE A 2 -0.253 14.325 6.693 1.00 19.29 C ATOM 23 O ILE A 2 0.935 14.200 6.905 1.00 19.53 O ATOM 24 CB ILE A 2 -0.108 12.497 4.984 1.00 25.10 C ATOM 25 CG1 ILE A 2 -0.511 12.137 3.557 1.00 28.92 C ATOM 26 CG2 ILE A 2 -0.386 11.302 5.889 1.00 23.06 C ATOM 27 CD1 ILE A 2 0.747 11.983 2.713 1.00 33.80 C ATOM 0 H ILE A 2 -0.430 14.495 3.534 1.00 28.59 H new ATOM 0 HA ILE A 2 -1.925 13.380 5.700 1.00 24.58 H new ATOM 0 HB ILE A 2 0.953 12.746 5.018 1.00 25.10 H new ATOM 0 HG12 ILE A 2 -1.085 11.211 3.550 1.00 28.92 H new ATOM 0 HG13 ILE A 2 -1.152 12.913 3.139 1.00 28.92 H new ATOM 0 HG21 ILE A 2 0.191 10.443 5.545 1.00 23.06 H new ATOM 0 HG22 ILE A 2 -0.099 11.546 6.912 1.00 23.06 H new ATOM 0 HG23 ILE A 2 -1.449 11.061 5.857 1.00 23.06 H new ATOM 0 HD11 ILE A 2 0.470 11.726 1.691 1.00 33.80 H new ATOM 0 HD12 ILE A 2 1.302 12.921 2.713 1.00 33.80 H new ATOM 0 HD13 ILE A 2 1.370 11.192 3.130 1.00 33.80 H new ATOM 39 N LYS A 3 -1.017 15.025 7.485 1.00 18.14 N ATOM 40 CA LYS A 3 -0.448 15.703 8.687 1.00 16.66 C ATOM 41 C LYS A 3 0.232 14.708 9.623 1.00 14.94 C ATOM 42 O LYS A 3 -0.052 13.528 9.619 1.00 13.94 O ATOM 43 CB LYS A 3 -1.566 16.426 9.441 1.00 16.94 C ATOM 44 CG LYS A 3 -1.517 17.921 9.119 1.00 17.85 C ATOM 45 CD LYS A 3 -2.858 18.565 9.478 1.00 19.63 C ATOM 46 CE LYS A 3 -2.646 20.048 9.790 1.00 26.28 C ATOM 47 NZ LYS A 3 -3.953 20.760 9.727 1.00 32.72 N ATOM 0 H LYS A 3 -2.019 15.158 7.351 1.00 18.14 H new ATOM 0 HA LYS A 3 0.303 16.417 8.348 1.00 16.66 H new ATOM 0 HB2 LYS A 3 -2.535 16.014 9.158 1.00 16.94 H new ATOM 0 HB3 LYS A 3 -1.455 16.271 10.514 1.00 16.94 H new ATOM 0 HG2 LYS A 3 -0.711 18.398 9.677 1.00 17.85 H new ATOM 0 HG3 LYS A 3 -1.302 18.069 8.061 1.00 17.85 H new ATOM 0 HD2 LYS A 3 -3.560 18.453 8.651 1.00 19.63 H new ATOM 0 HD3 LYS A 3 -3.297 18.061 10.339 1.00 19.63 H new ATOM 0 HE2 LYS A 3 -2.204 20.163 10.780 1.00 26.28 H new ATOM 0 HE3 LYS A 3 -1.947 20.485 9.077 1.00 26.28 H new ATOM 0 HZ1 LYS A 3 -3.810 21.768 9.939 1.00 32.72 H new ATOM 0 HZ2 LYS A 3 -4.357 20.661 8.774 1.00 32.72 H new ATOM 0 HZ3 LYS A 3 -4.606 20.349 10.424 1.00 32.72 H new ATOM 61 N VAL A 4 1.137 15.201 10.431 1.00 12.42 N ATOM 62 CA VAL A 4 1.864 14.322 11.384 1.00 12.99 C ATOM 63 C VAL A 4 2.475 15.168 12.504 1.00 14.26 C ATOM 64 O VAL A 4 2.544 16.378 12.422 1.00 13.80 O ATOM 65 CB VAL A 4 2.984 13.583 10.647 1.00 12.94 C ATOM 66 CG1 VAL A 4 3.709 12.645 11.615 1.00 14.46 C ATOM 67 CG2 VAL A 4 2.399 12.772 9.490 1.00 10.41 C ATOM 0 H VAL A 4 1.402 16.185 10.468 1.00 12.42 H new ATOM 0 HA VAL A 4 1.165 13.602 11.810 1.00 12.99 H new ATOM 0 HB VAL A 4 3.691 14.312 10.252 1.00 12.94 H new ATOM 0 HG11 VAL A 4 4.505 12.121 11.086 1.00 14.46 H new ATOM 0 HG12 VAL A 4 4.137 13.226 12.432 1.00 14.46 H new ATOM 0 HG13 VAL A 4 3.002 11.919 12.017 1.00 14.46 H new ATOM 0 HG21 VAL A 4 3.202 12.249 8.970 1.00 10.41 H new ATOM 0 HG22 VAL A 4 1.685 12.046 9.879 1.00 10.41 H new ATOM 0 HG23 VAL A 4 1.893 13.442 8.795 1.00 10.41 H new ATOM 77 N GLU A 5 2.922 14.528 13.547 1.00 9.27 N ATOM 78 CA GLU A 5 3.539 15.261 14.686 1.00 10.51 C ATOM 79 C GLU A 5 4.503 14.333 15.405 1.00 10.00 C ATOM 80 O GLU A 5 4.115 13.487 16.182 1.00 10.96 O ATOM 81 CB GLU A 5 2.449 15.717 15.652 1.00 10.42 C ATOM 82 CG GLU A 5 1.853 17.020 15.136 1.00 18.68 C ATOM 83 CD GLU A 5 0.801 17.532 16.121 1.00 18.63 C ATOM 84 OE1 GLU A 5 -0.021 16.736 16.546 1.00 19.38 O ATOM 85 OE2 GLU A 5 0.835 18.710 16.434 1.00 22.12 O ATOM 0 H GLU A 5 2.885 13.515 13.660 1.00 9.27 H new ATOM 0 HA GLU A 5 4.075 16.135 14.316 1.00 10.51 H new ATOM 0 HB2 GLU A 5 1.675 14.954 15.735 1.00 10.42 H new ATOM 0 HB3 GLU A 5 2.864 15.860 16.650 1.00 10.42 H new ATOM 0 HG2 GLU A 5 2.638 17.765 15.008 1.00 18.68 H new ATOM 0 HG3 GLU A 5 1.402 16.862 14.157 1.00 18.68 H new ATOM 92 N ILE A 6 5.763 14.487 15.155 1.00 9.86 N ATOM 93 CA ILE A 6 6.749 13.607 15.841 1.00 10.60 C ATOM 94 C ILE A 6 6.809 14.023 17.317 1.00 10.16 C ATOM 95 O ILE A 6 7.422 15.011 17.672 1.00 11.64 O ATOM 96 CB ILE A 6 8.129 13.715 15.154 1.00 9.14 C ATOM 97 CG1 ILE A 6 8.267 12.570 14.144 1.00 14.23 C ATOM 98 CG2 ILE A 6 9.258 13.600 16.179 1.00 12.29 C ATOM 99 CD1 ILE A 6 8.118 13.106 12.720 1.00 13.81 C ATOM 0 H ILE A 6 6.157 15.175 14.513 1.00 9.86 H new ATOM 0 HA ILE A 6 6.446 12.562 15.778 1.00 10.60 H new ATOM 0 HB ILE A 6 8.199 14.684 14.659 1.00 9.14 H new ATOM 0 HG12 ILE A 6 9.237 12.087 14.260 1.00 14.23 H new ATOM 0 HG13 ILE A 6 7.509 11.811 14.337 1.00 14.23 H new ATOM 0 HG21 ILE A 6 10.219 13.679 15.672 1.00 12.29 H new ATOM 0 HG22 ILE A 6 9.167 14.402 16.912 1.00 12.29 H new ATOM 0 HG23 ILE A 6 9.193 12.637 16.685 1.00 12.29 H new ATOM 0 HD11 ILE A 6 8.218 12.285 12.010 1.00 13.81 H new ATOM 0 HD12 ILE A 6 7.137 13.568 12.606 1.00 13.81 H new ATOM 0 HD13 ILE A 6 8.893 13.848 12.528 1.00 13.81 H new ATOM 111 N LYS A 7 6.162 13.276 18.176 1.00 11.63 N ATOM 112 CA LYS A 7 6.158 13.617 19.624 1.00 11.59 C ATOM 113 C LYS A 7 7.595 13.845 20.092 1.00 12.98 C ATOM 114 O LYS A 7 8.528 13.441 19.426 1.00 9.79 O ATOM 115 CB LYS A 7 5.535 12.449 20.396 1.00 12.52 C ATOM 116 CG LYS A 7 4.144 12.155 19.840 1.00 14.26 C ATOM 117 CD LYS A 7 3.092 12.902 20.663 1.00 15.70 C ATOM 118 CE LYS A 7 2.904 12.202 22.009 1.00 19.19 C ATOM 119 NZ LYS A 7 2.086 13.064 22.908 1.00 25.43 N ATOM 0 H LYS A 7 5.634 12.439 17.930 1.00 11.63 H new ATOM 0 HA LYS A 7 5.580 14.524 19.800 1.00 11.59 H new ATOM 0 HB2 LYS A 7 6.167 11.565 20.311 1.00 12.52 H new ATOM 0 HB3 LYS A 7 5.470 12.693 21.456 1.00 12.52 H new ATOM 0 HG2 LYS A 7 4.087 12.461 18.795 1.00 14.26 H new ATOM 0 HG3 LYS A 7 3.949 11.083 19.869 1.00 14.26 H new ATOM 0 HD2 LYS A 7 3.403 13.935 20.819 1.00 15.70 H new ATOM 0 HD3 LYS A 7 2.146 12.932 20.122 1.00 15.70 H new ATOM 0 HE2 LYS A 7 2.413 11.240 21.865 1.00 19.19 H new ATOM 0 HE3 LYS A 7 3.874 12.000 22.464 1.00 19.19 H new ATOM 0 HZ1 LYS A 7 1.958 12.588 23.824 1.00 25.43 H new ATOM 0 HZ2 LYS A 7 2.572 13.972 23.055 1.00 25.43 H new ATOM 0 HZ3 LYS A 7 1.157 13.235 22.474 1.00 25.43 H new ATOM 133 N PRO A 8 7.737 14.473 21.231 1.00 13.56 N ATOM 134 CA PRO A 8 9.061 14.744 21.806 1.00 11.93 C ATOM 135 C PRO A 8 9.663 13.439 22.320 1.00 10.20 C ATOM 136 O PRO A 8 10.830 13.362 22.650 1.00 12.05 O ATOM 137 CB PRO A 8 8.776 15.740 22.935 1.00 12.78 C ATOM 138 CG PRO A 8 7.283 15.570 23.294 1.00 12.51 C ATOM 139 CD PRO A 8 6.606 14.955 22.054 1.00 13.61 C ATOM 0 HA PRO A 8 9.782 15.149 21.096 1.00 11.93 H new ATOM 0 HB2 PRO A 8 9.409 15.540 23.799 1.00 12.78 H new ATOM 0 HB3 PRO A 8 8.986 16.761 22.616 1.00 12.78 H new ATOM 0 HG2 PRO A 8 7.164 14.923 24.163 1.00 12.51 H new ATOM 0 HG3 PRO A 8 6.832 16.530 23.547 1.00 12.51 H new ATOM 0 HD2 PRO A 8 5.936 14.140 22.328 1.00 13.61 H new ATOM 0 HD3 PRO A 8 6.008 15.693 21.518 1.00 13.61 H new ATOM 147 N SER A 9 8.872 12.401 22.360 1.00 10.65 N ATOM 148 CA SER A 9 9.388 11.084 22.816 1.00 10.83 C ATOM 149 C SER A 9 9.550 10.175 21.594 1.00 10.94 C ATOM 150 O SER A 9 9.744 8.982 21.714 1.00 13.16 O ATOM 151 CB SER A 9 8.395 10.455 23.794 1.00 13.01 C ATOM 152 OG SER A 9 9.100 9.956 24.923 1.00 15.52 O ATOM 0 H SER A 9 7.887 12.411 22.095 1.00 10.65 H new ATOM 0 HA SER A 9 10.348 11.212 23.317 1.00 10.83 H new ATOM 0 HB2 SER A 9 7.659 11.195 24.108 1.00 13.01 H new ATOM 0 HB3 SER A 9 7.848 9.648 23.306 1.00 13.01 H new ATOM 0 HG SER A 9 8.466 9.554 25.553 1.00 15.52 H new ATOM 158 N GLN A 10 9.468 10.736 20.413 1.00 10.02 N ATOM 159 CA GLN A 10 9.612 9.917 19.180 1.00 11.55 C ATOM 160 C GLN A 10 10.495 10.665 18.179 1.00 13.72 C ATOM 161 O GLN A 10 10.241 10.653 16.993 1.00 17.31 O ATOM 162 CB GLN A 10 8.238 9.688 18.552 1.00 6.60 C ATOM 163 CG GLN A 10 7.204 9.466 19.651 1.00 7.20 C ATOM 164 CD GLN A 10 7.319 8.036 20.182 1.00 10.36 C ATOM 165 OE1 GLN A 10 8.372 7.434 20.115 1.00 13.01 O ATOM 166 NE2 GLN A 10 6.273 7.463 20.712 1.00 4.80 N ATOM 0 H GLN A 10 9.307 11.731 20.254 1.00 10.02 H new ATOM 0 HA GLN A 10 10.064 8.958 19.435 1.00 11.55 H new ATOM 0 HB2 GLN A 10 7.957 10.547 17.943 1.00 6.60 H new ATOM 0 HB3 GLN A 10 8.270 8.824 17.888 1.00 6.60 H new ATOM 0 HG2 GLN A 10 7.360 10.179 20.461 1.00 7.20 H new ATOM 0 HG3 GLN A 10 6.201 9.641 19.261 1.00 7.20 H new ATOM 0 HE21 GLN A 10 5.389 7.968 20.769 1.00 4.80 H new ATOM 0 HE22 GLN A 10 6.340 6.510 21.070 1.00 4.80 H new ATOM 175 N ALA A 11 11.518 11.329 18.644 1.00 15.28 N ATOM 176 CA ALA A 11 12.396 12.086 17.706 1.00 18.95 C ATOM 177 C ALA A 11 13.780 11.435 17.636 1.00 20.75 C ATOM 178 O ALA A 11 14.776 12.100 17.435 1.00 24.78 O ATOM 179 CB ALA A 11 12.537 13.528 18.193 1.00 17.72 C ATOM 0 H ALA A 11 11.783 11.380 19.628 1.00 15.28 H new ATOM 0 HA ALA A 11 11.947 12.074 16.713 1.00 18.95 H new ATOM 0 HB1 ALA A 11 13.179 14.082 17.508 1.00 17.72 H new ATOM 0 HB2 ALA A 11 11.554 13.997 18.229 1.00 17.72 H new ATOM 0 HB3 ALA A 11 12.979 13.534 19.189 1.00 17.72 H new ATOM 185 N GLN A 12 13.850 10.144 17.796 1.00 22.50 N ATOM 186 CA GLN A 12 15.167 9.455 17.731 1.00 25.43 C ATOM 187 C GLN A 12 15.013 8.131 16.989 1.00 22.80 C ATOM 188 O GLN A 12 14.113 7.360 17.257 1.00 20.93 O ATOM 189 CB GLN A 12 15.676 9.196 19.144 1.00 30.18 C ATOM 190 CG GLN A 12 16.446 10.422 19.614 1.00 42.11 C ATOM 191 CD GLN A 12 16.772 10.288 21.102 1.00 46.61 C ATOM 192 OE1 GLN A 12 17.920 10.359 21.494 1.00 46.27 O ATOM 193 NE2 GLN A 12 15.803 10.096 21.954 1.00 47.90 N ATOM 0 H GLN A 12 13.050 9.535 17.969 1.00 22.50 H new ATOM 0 HA GLN A 12 15.881 10.084 17.200 1.00 25.43 H new ATOM 0 HB2 GLN A 12 14.842 8.993 19.815 1.00 30.18 H new ATOM 0 HB3 GLN A 12 16.319 8.316 19.159 1.00 30.18 H new ATOM 0 HG2 GLN A 12 17.366 10.528 19.039 1.00 42.11 H new ATOM 0 HG3 GLN A 12 15.856 11.322 19.441 1.00 42.11 H new ATOM 0 HE21 GLN A 12 14.839 10.036 21.625 1.00 47.90 H new ATOM 0 HE22 GLN A 12 16.009 10.006 22.949 1.00 47.90 H new ATOM 202 N PHE A 13 15.881 7.858 16.055 1.00 21.61 N ATOM 203 CA PHE A 13 15.775 6.589 15.301 1.00 20.51 C ATOM 204 C PHE A 13 16.568 5.500 16.015 1.00 18.83 C ATOM 205 O PHE A 13 17.497 5.770 16.750 1.00 18.83 O ATOM 206 CB PHE A 13 16.346 6.787 13.904 1.00 19.56 C ATOM 207 CG PHE A 13 17.778 7.240 14.033 1.00 19.62 C ATOM 208 CD1 PHE A 13 18.787 6.305 14.287 1.00 20.50 C ATOM 209 CD2 PHE A 13 18.096 8.598 13.906 1.00 15.55 C ATOM 210 CE1 PHE A 13 20.115 6.727 14.412 1.00 20.75 C ATOM 211 CE2 PHE A 13 19.422 9.020 14.032 1.00 14.07 C ATOM 212 CZ PHE A 13 20.431 8.085 14.284 1.00 18.48 C ATOM 0 H PHE A 13 16.657 8.462 15.785 1.00 21.61 H new ATOM 0 HA PHE A 13 14.728 6.293 15.236 1.00 20.51 H new ATOM 0 HB2 PHE A 13 16.292 5.857 13.337 1.00 19.56 H new ATOM 0 HB3 PHE A 13 15.762 7.528 13.357 1.00 19.56 H new ATOM 0 HD1 PHE A 13 18.541 5.258 14.387 1.00 20.50 H new ATOM 0 HD2 PHE A 13 17.316 9.319 13.711 1.00 15.55 H new ATOM 0 HE1 PHE A 13 20.895 6.006 14.607 1.00 20.75 H new ATOM 0 HE2 PHE A 13 19.668 10.067 13.935 1.00 14.07 H new ATOM 0 HZ PHE A 13 21.456 8.411 14.380 1.00 18.48 H new ATOM 222 N THR A 14 16.213 4.271 15.794 1.00 14.89 N ATOM 223 CA THR A 14 16.947 3.154 16.444 1.00 13.37 C ATOM 224 C THR A 14 17.224 2.073 15.403 1.00 11.97 C ATOM 225 O THR A 14 16.475 1.897 14.463 1.00 10.76 O ATOM 226 CB THR A 14 16.099 2.565 17.571 1.00 13.68 C ATOM 227 OG1 THR A 14 15.860 3.563 18.554 1.00 13.48 O ATOM 228 CG2 THR A 14 16.839 1.386 18.204 1.00 9.24 C ATOM 0 H THR A 14 15.442 3.989 15.188 1.00 14.89 H new ATOM 0 HA THR A 14 17.885 3.524 16.857 1.00 13.37 H new ATOM 0 HB THR A 14 15.147 2.219 17.168 1.00 13.68 H new ATOM 0 HG1 THR A 14 15.315 3.187 19.276 1.00 13.48 H new ATOM 0 HG21 THR A 14 16.234 0.966 19.008 1.00 9.24 H new ATOM 0 HG22 THR A 14 17.019 0.622 17.448 1.00 9.24 H new ATOM 0 HG23 THR A 14 17.792 1.729 18.608 1.00 9.24 H new ATOM 236 N THR A 15 18.291 1.347 15.558 1.00 13.20 N ATOM 237 CA THR A 15 18.603 0.281 14.572 1.00 12.54 C ATOM 238 C THR A 15 17.796 -0.971 14.912 1.00 14.34 C ATOM 239 O THR A 15 18.056 -1.644 15.889 1.00 17.35 O ATOM 240 CB THR A 15 20.095 -0.046 14.622 1.00 11.88 C ATOM 241 OG1 THR A 15 20.816 1.101 15.053 1.00 17.15 O ATOM 242 CG2 THR A 15 20.571 -0.458 13.229 1.00 8.30 C ATOM 0 H THR A 15 18.959 1.445 16.322 1.00 13.20 H new ATOM 0 HA THR A 15 18.344 0.625 13.571 1.00 12.54 H new ATOM 0 HB THR A 15 20.267 -0.865 15.321 1.00 11.88 H new ATOM 0 HG1 THR A 15 21.773 0.892 15.087 1.00 17.15 H new ATOM 0 HG21 THR A 15 21.635 -0.692 13.262 1.00 8.30 H new ATOM 0 HG22 THR A 15 20.017 -1.337 12.900 1.00 8.30 H new ATOM 0 HG23 THR A 15 20.401 0.361 12.530 1.00 8.30 H new ATOM 435 N LEU A 28 17.853 -0.756 9.412 1.00 18.57 N ATOM 436 CA LEU A 28 17.949 0.700 9.113 1.00 16.31 C ATOM 437 C LEU A 28 17.360 1.522 10.264 1.00 14.21 C ATOM 438 O LEU A 28 16.334 1.187 10.822 1.00 16.97 O ATOM 439 CB LEU A 28 17.177 0.994 7.827 1.00 16.48 C ATOM 440 CG LEU A 28 17.906 2.072 7.024 1.00 22.19 C ATOM 441 CD1 LEU A 28 17.829 1.737 5.533 1.00 24.00 C ATOM 442 CD2 LEU A 28 17.246 3.429 7.279 1.00 22.01 C ATOM 0 HA LEU A 28 18.997 0.973 8.991 1.00 16.31 H new ATOM 0 HB2 LEU A 28 17.082 0.085 7.232 1.00 16.48 H new ATOM 0 HB3 LEU A 28 16.166 1.325 8.066 1.00 16.48 H new ATOM 0 HG LEU A 28 18.951 2.113 7.332 1.00 22.19 H new ATOM 0 HD11 LEU A 28 18.349 2.505 4.960 1.00 24.00 H new ATOM 0 HD12 LEU A 28 18.299 0.770 5.353 1.00 24.00 H new ATOM 0 HD13 LEU A 28 16.785 1.697 5.223 1.00 24.00 H new ATOM 0 HD21 LEU A 28 17.764 4.199 6.707 1.00 22.01 H new ATOM 0 HD22 LEU A 28 16.201 3.389 6.970 1.00 22.01 H new ATOM 0 HD23 LEU A 28 17.302 3.667 8.341 1.00 22.01 H new ATOM 454 N ASN A 29 18.005 2.603 10.615 1.00 11.64 N ATOM 455 CA ASN A 29 17.494 3.466 11.722 1.00 9.77 C ATOM 456 C ASN A 29 15.997 3.726 11.521 1.00 7.94 C ATOM 457 O ASN A 29 15.585 4.316 10.543 1.00 10.52 O ATOM 458 CB ASN A 29 18.240 4.818 11.766 1.00 14.73 C ATOM 459 CG ASN A 29 18.929 5.149 10.430 1.00 17.90 C ATOM 460 OD1 ASN A 29 18.964 4.354 9.514 1.00 23.31 O ATOM 461 ND2 ASN A 29 19.487 6.320 10.283 1.00 12.89 N ATOM 0 H ASN A 29 18.869 2.928 10.180 1.00 11.64 H new ATOM 0 HA ASN A 29 17.663 2.944 12.664 1.00 9.77 H new ATOM 0 HB2 ASN A 29 17.535 5.611 12.015 1.00 14.73 H new ATOM 0 HB3 ASN A 29 18.986 4.793 12.560 1.00 14.73 H new ATOM 0 HD21 ASN A 29 19.947 6.559 9.404 1.00 12.89 H new ATOM 0 HD22 ASN A 29 19.463 6.996 11.047 1.00 12.89 H new ATOM 468 N GLU A 30 15.180 3.289 12.444 1.00 8.58 N ATOM 469 CA GLU A 30 13.709 3.510 12.313 1.00 13.16 C ATOM 470 C GLU A 30 13.235 4.476 13.405 1.00 12.26 C ATOM 471 O GLU A 30 13.765 4.500 14.498 1.00 10.58 O ATOM 472 CB GLU A 30 12.981 2.172 12.467 1.00 14.93 C ATOM 473 CG GLU A 30 13.135 1.355 11.183 1.00 27.13 C ATOM 474 CD GLU A 30 13.371 -0.114 11.538 1.00 33.28 C ATOM 475 OE1 GLU A 30 13.658 -0.386 12.692 1.00 38.01 O ATOM 476 OE2 GLU A 30 13.260 -0.943 10.649 1.00 40.03 O ATOM 0 H GLU A 30 15.469 2.788 13.284 1.00 8.58 H new ATOM 0 HA GLU A 30 13.491 3.936 11.334 1.00 13.16 H new ATOM 0 HB2 GLU A 30 13.389 1.619 13.313 1.00 14.93 H new ATOM 0 HB3 GLU A 30 11.925 2.343 12.677 1.00 14.93 H new ATOM 0 HG2 GLU A 30 12.240 1.452 10.568 1.00 27.13 H new ATOM 0 HG3 GLU A 30 13.969 1.737 10.594 1.00 27.13 H new ATOM 483 N GLN A 31 12.237 5.272 13.120 1.00 10.34 N ATOM 484 CA GLN A 31 11.728 6.233 14.144 1.00 9.46 C ATOM 485 C GLN A 31 10.204 6.123 14.229 1.00 10.09 C ATOM 486 O GLN A 31 9.603 5.227 13.670 1.00 9.36 O ATOM 487 CB GLN A 31 12.109 7.668 13.742 1.00 7.25 C ATOM 488 CG GLN A 31 12.894 8.346 14.873 1.00 10.62 C ATOM 489 CD GLN A 31 12.517 9.828 14.947 1.00 8.77 C ATOM 490 OE1 GLN A 31 13.372 10.678 15.085 1.00 8.56 O ATOM 491 NE2 GLN A 31 11.264 10.180 14.864 1.00 12.39 N ATOM 0 H GLN A 31 11.753 5.298 12.223 1.00 10.34 H new ATOM 0 HA GLN A 31 12.170 5.997 15.112 1.00 9.46 H new ATOM 0 HB2 GLN A 31 12.709 7.651 12.832 1.00 7.25 H new ATOM 0 HB3 GLN A 31 11.209 8.242 13.519 1.00 7.25 H new ATOM 0 HG2 GLN A 31 12.677 7.858 15.823 1.00 10.62 H new ATOM 0 HG3 GLN A 31 13.965 8.242 14.699 1.00 10.62 H new ATOM 0 HE21 GLN A 31 10.541 9.470 14.748 1.00 12.39 H new ATOM 0 HE22 GLN A 31 11.007 11.166 14.915 1.00 12.39 H new ATOM 500 N LEU A 32 9.576 7.031 14.922 1.00 6.80 N ATOM 501 CA LEU A 32 8.093 6.987 15.044 1.00 10.34 C ATOM 502 C LEU A 32 7.512 8.357 14.670 1.00 9.02 C ATOM 503 O LEU A 32 8.238 9.286 14.377 1.00 11.15 O ATOM 504 CB LEU A 32 7.720 6.636 16.485 1.00 10.20 C ATOM 505 CG LEU A 32 7.813 5.121 16.682 1.00 16.38 C ATOM 506 CD1 LEU A 32 8.673 4.816 17.911 1.00 17.42 C ATOM 507 CD2 LEU A 32 6.410 4.544 16.884 1.00 15.89 C ATOM 0 H LEU A 32 10.028 7.804 15.411 1.00 6.80 H new ATOM 0 HA LEU A 32 7.686 6.232 14.372 1.00 10.34 H new ATOM 0 HB2 LEU A 32 8.388 7.145 17.179 1.00 10.20 H new ATOM 0 HB3 LEU A 32 6.709 6.981 16.705 1.00 10.20 H new ATOM 0 HG LEU A 32 8.268 4.669 15.800 1.00 16.38 H new ATOM 0 HD11 LEU A 32 8.739 3.737 18.050 1.00 17.42 H new ATOM 0 HD12 LEU A 32 9.673 5.225 17.766 1.00 17.42 H new ATOM 0 HD13 LEU A 32 8.221 5.269 18.793 1.00 17.42 H new ATOM 0 HD21 LEU A 32 6.477 3.465 17.024 1.00 15.89 H new ATOM 0 HD22 LEU A 32 5.954 4.997 17.764 1.00 15.89 H new ATOM 0 HD23 LEU A 32 5.799 4.759 16.008 1.00 15.89 H new ATOM 519 N CYS A 33 6.211 8.492 14.672 1.00 9.68 N ATOM 520 CA CYS A 33 5.592 9.796 14.311 1.00 8.10 C ATOM 521 C CYS A 33 4.094 9.711 14.582 1.00 6.34 C ATOM 522 O CYS A 33 3.543 8.638 14.717 1.00 8.02 O ATOM 523 CB CYS A 33 5.807 10.114 12.823 1.00 8.88 C ATOM 524 SG CYS A 33 6.390 8.651 11.924 1.00 13.84 S ATOM 0 H CYS A 33 5.551 7.751 14.909 1.00 9.68 H new ATOM 0 HA CYS A 33 6.055 10.583 14.906 1.00 8.10 H new ATOM 0 HB2 CYS A 33 4.874 10.467 12.384 1.00 8.88 H new ATOM 0 HB3 CYS A 33 6.532 10.921 12.721 1.00 8.88 H new ATOM 0 HG CYS A 33 5.923 8.673 10.711 1.00 13.84 H new ATOM 530 N TYR A 34 3.427 10.825 14.663 1.00 7.35 N ATOM 531 CA TYR A 34 1.963 10.793 14.926 1.00 7.08 C ATOM 532 C TYR A 34 1.221 11.338 13.705 1.00 7.71 C ATOM 533 O TYR A 34 1.055 12.532 13.561 1.00 7.80 O ATOM 534 CB TYR A 34 1.648 11.684 16.123 1.00 8.67 C ATOM 535 CG TYR A 34 1.789 10.923 17.426 1.00 9.11 C ATOM 536 CD1 TYR A 34 2.565 9.767 17.506 1.00 12.44 C ATOM 537 CD2 TYR A 34 1.135 11.410 18.567 1.00 13.61 C ATOM 538 CE1 TYR A 34 2.686 9.095 18.730 1.00 16.38 C ATOM 539 CE2 TYR A 34 1.253 10.739 19.782 1.00 17.22 C ATOM 540 CZ TYR A 34 2.027 9.583 19.864 1.00 16.83 C ATOM 541 OH TYR A 34 2.147 8.919 21.069 1.00 21.14 O ATOM 0 H TYR A 34 3.831 11.756 14.559 1.00 7.35 H new ATOM 0 HA TYR A 34 1.652 9.768 15.129 1.00 7.08 H new ATOM 0 HB2 TYR A 34 2.319 12.543 16.126 1.00 8.67 H new ATOM 0 HB3 TYR A 34 0.633 12.072 16.034 1.00 8.67 H new ATOM 0 HD1 TYR A 34 3.070 9.391 16.629 1.00 12.44 H new ATOM 0 HD2 TYR A 34 0.538 12.308 18.503 1.00 13.61 H new ATOM 0 HE1 TYR A 34 3.288 8.201 18.798 1.00 16.38 H new ATOM 0 HE2 TYR A 34 0.746 11.114 20.659 1.00 17.22 H new ATOM 0 HH TYR A 34 3.019 8.474 21.112 1.00 21.14 H new ATOM 551 N VAL A 35 0.775 10.486 12.825 1.00 9.44 N ATOM 552 CA VAL A 35 0.053 10.986 11.620 1.00 10.66 C ATOM 553 C VAL A 35 -1.425 11.201 11.941 1.00 10.57 C ATOM 554 O VAL A 35 -2.153 10.272 12.230 1.00 8.31 O ATOM 555 CB VAL A 35 0.186 9.988 10.471 1.00 10.22 C ATOM 556 CG1 VAL A 35 -0.656 10.474 9.289 1.00 7.97 C ATOM 557 CG2 VAL A 35 1.655 9.899 10.050 1.00 9.86 C ATOM 0 H VAL A 35 0.877 9.473 12.886 1.00 9.44 H new ATOM 0 HA VAL A 35 0.497 11.936 11.322 1.00 10.66 H new ATOM 0 HB VAL A 35 -0.161 9.005 10.789 1.00 10.22 H new ATOM 0 HG11 VAL A 35 -0.567 9.767 8.464 1.00 7.97 H new ATOM 0 HG12 VAL A 35 -1.700 10.548 9.592 1.00 7.97 H new ATOM 0 HG13 VAL A 35 -0.301 11.453 8.968 1.00 7.97 H new ATOM 0 HG21 VAL A 35 1.756 9.188 9.230 1.00 9.86 H new ATOM 0 HG22 VAL A 35 2.000 10.880 9.724 1.00 9.86 H new ATOM 0 HG23 VAL A 35 2.256 9.565 10.896 1.00 9.86 H new ATOM 567 N ASP A 36 -1.875 12.425 11.884 1.00 8.58 N ATOM 568 CA ASP A 36 -3.301 12.709 12.172 1.00 11.48 C ATOM 569 C ASP A 36 -4.161 12.066 11.084 1.00 12.38 C ATOM 570 O ASP A 36 -5.329 11.797 11.277 1.00 11.89 O ATOM 571 CB ASP A 36 -3.530 14.222 12.180 1.00 16.17 C ATOM 572 CG ASP A 36 -4.437 14.598 13.354 1.00 17.97 C ATOM 573 OD1 ASP A 36 -5.448 13.939 13.531 1.00 15.67 O ATOM 574 OD2 ASP A 36 -4.106 15.541 14.054 1.00 25.89 O ATOM 0 H ASP A 36 -1.310 13.241 11.649 1.00 8.58 H new ATOM 0 HA ASP A 36 -3.571 12.302 13.146 1.00 11.48 H new ATOM 0 HB2 ASP A 36 -2.577 14.744 12.262 1.00 16.17 H new ATOM 0 HB3 ASP A 36 -3.985 14.536 11.241 1.00 16.17 H new ATOM 579 N LEU A 37 -3.586 11.821 9.939 1.00 13.17 N ATOM 580 CA LEU A 37 -4.360 11.195 8.831 1.00 18.47 C ATOM 581 C LEU A 37 -5.740 11.846 8.739 1.00 21.14 C ATOM 582 O LEU A 37 -6.692 11.245 8.283 1.00 24.24 O ATOM 583 CB LEU A 37 -4.520 9.700 9.101 1.00 15.81 C ATOM 584 CG LEU A 37 -5.210 9.039 7.909 1.00 20.59 C ATOM 585 CD1 LEU A 37 -4.214 8.137 7.178 1.00 14.72 C ATOM 586 CD2 LEU A 37 -6.391 8.203 8.406 1.00 20.01 C ATOM 0 H LEU A 37 -2.611 12.028 9.723 1.00 13.17 H new ATOM 0 HA LEU A 37 -3.827 11.340 7.891 1.00 18.47 H new ATOM 0 HB2 LEU A 37 -3.545 9.243 9.269 1.00 15.81 H new ATOM 0 HB3 LEU A 37 -5.106 9.544 10.007 1.00 15.81 H new ATOM 0 HG LEU A 37 -5.571 9.807 7.225 1.00 20.59 H new ATOM 0 HD11 LEU A 37 -4.706 7.665 6.328 1.00 14.72 H new ATOM 0 HD12 LEU A 37 -3.373 8.734 6.825 1.00 14.72 H new ATOM 0 HD13 LEU A 37 -3.852 7.368 7.860 1.00 14.72 H new ATOM 0 HD21 LEU A 37 -6.885 7.730 7.557 1.00 20.01 H new ATOM 0 HD22 LEU A 37 -6.031 7.435 9.090 1.00 20.01 H new ATOM 0 HD23 LEU A 37 -7.100 8.848 8.925 1.00 20.01 H new ATOM 598 N GLY A 38 -5.854 13.073 9.164 1.00 20.70 N ATOM 599 CA GLY A 38 -7.170 13.763 9.097 1.00 23.91 C ATOM 600 C GLY A 38 -8.213 12.975 9.896 1.00 26.50 C ATOM 601 O GLY A 38 -9.400 13.098 9.669 1.00 31.02 O ATOM 0 H GLY A 38 -5.092 13.627 9.555 1.00 20.70 H new ATOM 0 HA2 GLY A 38 -7.081 14.774 9.496 1.00 23.91 H new ATOM 0 HA3 GLY A 38 -7.489 13.857 8.059 1.00 23.91 H new ATOM 605 N ASN A 39 -7.786 12.162 10.829 1.00 27.64 N ATOM 606 CA ASN A 39 -8.763 11.374 11.627 1.00 30.27 C ATOM 607 C ASN A 39 -8.981 12.034 12.992 1.00 26.79 C ATOM 608 O ASN A 39 -9.306 11.381 13.964 1.00 26.87 O ATOM 609 CB ASN A 39 -8.247 9.947 11.821 1.00 35.62 C ATOM 610 CG ASN A 39 -6.808 9.982 12.332 1.00 41.31 C ATOM 611 OD1 ASN A 39 -6.442 10.854 13.095 1.00 43.23 O ATOM 612 ND2 ASN A 39 -5.970 9.062 11.940 1.00 39.63 N ATOM 0 H ASN A 39 -6.806 12.013 11.069 1.00 27.64 H new ATOM 0 HA ASN A 39 -9.712 11.343 11.091 1.00 30.27 H new ATOM 0 HB2 ASN A 39 -8.881 9.414 12.530 1.00 35.62 H new ATOM 0 HB3 ASN A 39 -8.295 9.402 10.878 1.00 35.62 H new ATOM 0 HD21 ASN A 39 -5.006 9.074 12.274 1.00 39.63 H new ATOM 0 HD22 ASN A 39 -6.279 8.331 11.300 1.00 39.63 H new ATOM 619 N GLU A 40 -8.808 13.324 13.070 1.00 25.15 N ATOM 620 CA GLU A 40 -9.006 14.033 14.367 1.00 23.81 C ATOM 621 C GLU A 40 -8.275 13.290 15.481 1.00 21.12 C ATOM 622 O GLU A 40 -8.896 12.677 16.320 1.00 19.86 O ATOM 623 CB GLU A 40 -10.497 14.093 14.708 1.00 27.22 C ATOM 624 CG GLU A 40 -11.307 14.335 13.433 1.00 34.87 C ATOM 625 CD GLU A 40 -12.798 14.196 13.743 1.00 38.97 C ATOM 626 OE1 GLU A 40 -13.193 13.134 14.195 1.00 39.54 O ATOM 627 OE2 GLU A 40 -13.520 15.155 13.524 1.00 42.34 O ATOM 0 H GLU A 40 -8.537 13.921 12.289 1.00 25.15 H new ATOM 0 HA GLU A 40 -8.609 15.044 14.276 1.00 23.81 H new ATOM 0 HB2 GLU A 40 -10.810 13.161 15.178 1.00 27.22 H new ATOM 0 HB3 GLU A 40 -10.684 14.891 15.426 1.00 27.22 H new ATOM 0 HG2 GLU A 40 -11.098 15.330 13.039 1.00 34.87 H new ATOM 0 HG3 GLU A 40 -11.016 13.620 12.663 1.00 34.87 H new ATOM 634 N HIS A 41 -6.964 13.360 15.479 1.00 4.81 N ATOM 635 CA HIS A 41 -6.122 12.684 16.527 1.00 4.39 C ATOM 636 C HIS A 41 -4.856 12.147 15.862 1.00 3.38 C ATOM 637 O HIS A 41 -4.894 11.710 14.729 1.00 2.51 O ATOM 638 CB HIS A 41 -6.867 11.517 17.185 1.00 4.79 C ATOM 639 CG HIS A 41 -7.620 12.020 18.389 1.00 4.35 C ATOM 640 ND1 HIS A 41 -8.073 13.326 18.477 1.00 4.60 N ATOM 641 CD2 HIS A 41 -8.028 11.403 19.545 1.00 5.16 C ATOM 642 CE1 HIS A 41 -8.725 13.453 19.644 1.00 5.82 C ATOM 643 NE2 HIS A 41 -8.727 12.310 20.337 1.00 6.57 N ATOM 0 H HIS A 41 -6.427 13.870 14.778 1.00 4.81 H new ATOM 0 HA HIS A 41 -5.883 13.414 17.300 1.00 4.39 H new ATOM 0 HB2 HIS A 41 -7.557 11.064 16.473 1.00 4.79 H new ATOM 0 HB3 HIS A 41 -6.161 10.741 17.482 1.00 4.79 H new ATOM 0 HD2 HIS A 41 -7.836 10.372 19.801 1.00 5.16 H new ATOM 0 HE1 HIS A 41 -9.191 14.367 19.981 1.00 5.82 H new ATOM 0 HE2 HIS A 41 -9.150 12.139 21.249 1.00 6.57 H new ATOM 651 N PRO A 42 -3.766 12.197 16.582 1.00 15.11 N ATOM 652 CA PRO A 42 -2.472 11.721 16.077 1.00 16.08 C ATOM 653 C PRO A 42 -2.379 10.204 16.170 1.00 17.92 C ATOM 654 O PRO A 42 -2.835 9.600 17.121 1.00 17.13 O ATOM 655 CB PRO A 42 -1.458 12.344 17.027 1.00 16.41 C ATOM 656 CG PRO A 42 -2.219 12.658 18.333 1.00 13.79 C ATOM 657 CD PRO A 42 -3.717 12.728 17.960 1.00 16.28 C ATOM 0 HA PRO A 42 -2.315 11.988 15.032 1.00 16.08 H new ATOM 0 HB2 PRO A 42 -0.630 11.660 17.215 1.00 16.41 H new ATOM 0 HB3 PRO A 42 -1.031 13.251 16.599 1.00 16.41 H new ATOM 0 HG2 PRO A 42 -2.041 11.886 19.081 1.00 13.79 H new ATOM 0 HG3 PRO A 42 -1.881 13.601 18.762 1.00 13.79 H new ATOM 0 HD2 PRO A 42 -4.326 12.132 18.640 1.00 16.28 H new ATOM 0 HD3 PRO A 42 -4.093 13.750 18.008 1.00 16.28 H new ATOM 665 N VAL A 43 -1.766 9.587 15.209 1.00 16.29 N ATOM 666 CA VAL A 43 -1.615 8.119 15.262 1.00 14.28 C ATOM 667 C VAL A 43 -0.131 7.787 15.242 1.00 9.00 C ATOM 668 O VAL A 43 0.580 8.117 14.315 1.00 7.99 O ATOM 669 CB VAL A 43 -2.300 7.483 14.058 1.00 17.96 C ATOM 670 CG1 VAL A 43 -3.727 8.020 13.935 1.00 18.07 C ATOM 671 CG2 VAL A 43 -1.513 7.821 12.790 1.00 20.57 C ATOM 0 H VAL A 43 -1.363 10.038 14.388 1.00 16.29 H new ATOM 0 HA VAL A 43 -2.074 7.731 16.171 1.00 14.28 H new ATOM 0 HB VAL A 43 -2.334 6.401 14.188 1.00 17.96 H new ATOM 0 HG11 VAL A 43 -4.214 7.564 13.073 1.00 18.07 H new ATOM 0 HG12 VAL A 43 -4.286 7.778 14.839 1.00 18.07 H new ATOM 0 HG13 VAL A 43 -3.699 9.102 13.805 1.00 18.07 H new ATOM 0 HG21 VAL A 43 -2.001 7.367 11.927 1.00 20.57 H new ATOM 0 HG22 VAL A 43 -1.479 8.903 12.660 1.00 20.57 H new ATOM 0 HG23 VAL A 43 -0.498 7.434 12.878 1.00 20.57 H new ATOM 681 N LEU A 44 0.345 7.145 16.265 1.00 10.19 N ATOM 682 CA LEU A 44 1.782 6.803 16.313 1.00 11.55 C ATOM 683 C LEU A 44 2.093 5.782 15.221 1.00 10.61 C ATOM 684 O LEU A 44 1.639 4.655 15.255 1.00 13.49 O ATOM 685 CB LEU A 44 2.105 6.235 17.686 1.00 10.60 C ATOM 686 CG LEU A 44 3.572 5.825 17.738 1.00 13.48 C ATOM 687 CD1 LEU A 44 4.450 6.955 17.195 1.00 15.65 C ATOM 688 CD2 LEU A 44 3.960 5.529 19.189 1.00 20.21 C ATOM 0 H LEU A 44 -0.202 6.843 17.071 1.00 10.19 H new ATOM 0 HA LEU A 44 2.391 7.691 16.143 1.00 11.55 H new ATOM 0 HB2 LEU A 44 1.897 6.978 18.456 1.00 10.60 H new ATOM 0 HB3 LEU A 44 1.469 5.374 17.893 1.00 10.60 H new ATOM 0 HG LEU A 44 3.720 4.935 17.127 1.00 13.48 H new ATOM 0 HD11 LEU A 44 5.497 6.654 17.236 1.00 15.65 H new ATOM 0 HD12 LEU A 44 4.173 7.167 16.162 1.00 15.65 H new ATOM 0 HD13 LEU A 44 4.306 7.850 17.800 1.00 15.65 H new ATOM 0 HD21 LEU A 44 5.009 5.235 19.232 1.00 20.21 H new ATOM 0 HD22 LEU A 44 3.808 6.422 19.796 1.00 20.21 H new ATOM 0 HD23 LEU A 44 3.340 4.719 19.573 1.00 20.21 H new ATOM 700 N VAL A 45 2.856 6.181 14.243 1.00 10.81 N ATOM 701 CA VAL A 45 3.196 5.256 13.128 1.00 9.29 C ATOM 702 C VAL A 45 4.710 5.059 13.070 1.00 9.95 C ATOM 703 O VAL A 45 5.465 5.761 13.712 1.00 9.36 O ATOM 704 CB VAL A 45 2.687 5.855 11.818 1.00 4.64 C ATOM 705 CG1 VAL A 45 3.470 5.294 10.622 1.00 7.95 C ATOM 706 CG2 VAL A 45 1.204 5.512 11.658 1.00 10.20 C ATOM 0 H VAL A 45 3.261 7.114 14.168 1.00 10.81 H new ATOM 0 HA VAL A 45 2.725 4.286 13.288 1.00 9.29 H new ATOM 0 HB VAL A 45 2.826 6.936 11.847 1.00 4.64 H new ATOM 0 HG11 VAL A 45 3.091 5.734 9.700 1.00 7.95 H new ATOM 0 HG12 VAL A 45 4.527 5.537 10.732 1.00 7.95 H new ATOM 0 HG13 VAL A 45 3.349 4.211 10.584 1.00 7.95 H new ATOM 0 HG21 VAL A 45 0.831 5.935 10.725 1.00 10.20 H new ATOM 0 HG22 VAL A 45 1.081 4.429 11.640 1.00 10.20 H new ATOM 0 HG23 VAL A 45 0.642 5.927 12.495 1.00 10.20 H new ATOM 716 N LYS A 46 5.156 4.104 12.305 1.00 10.76 N ATOM 717 CA LYS A 46 6.617 3.858 12.209 1.00 12.81 C ATOM 718 C LYS A 46 7.212 4.683 11.063 1.00 13.35 C ATOM 719 O LYS A 46 6.559 4.960 10.077 1.00 12.90 O ATOM 720 CB LYS A 46 6.869 2.369 11.954 1.00 17.04 C ATOM 721 CG LYS A 46 8.126 1.919 12.704 1.00 26.60 C ATOM 722 CD LYS A 46 7.977 0.452 13.113 1.00 33.77 C ATOM 723 CE LYS A 46 7.914 0.350 14.638 1.00 34.48 C ATOM 724 NZ LYS A 46 8.415 -0.986 15.068 1.00 36.74 N ATOM 0 H LYS A 46 4.572 3.485 11.743 1.00 10.76 H new ATOM 0 HA LYS A 46 7.092 4.153 13.145 1.00 12.81 H new ATOM 0 HB2 LYS A 46 6.010 1.784 12.282 1.00 17.04 H new ATOM 0 HB3 LYS A 46 6.988 2.189 10.886 1.00 17.04 H new ATOM 0 HG2 LYS A 46 9.005 2.044 12.071 1.00 26.60 H new ATOM 0 HG3 LYS A 46 8.278 2.540 13.587 1.00 26.60 H new ATOM 0 HD2 LYS A 46 7.073 0.031 12.672 1.00 33.77 H new ATOM 0 HD3 LYS A 46 8.817 -0.129 12.734 1.00 33.77 H new ATOM 0 HE2 LYS A 46 8.515 1.139 15.091 1.00 34.48 H new ATOM 0 HE3 LYS A 46 6.889 0.493 14.981 1.00 34.48 H new ATOM 0 HZ1 LYS A 46 8.372 -1.056 16.105 1.00 36.74 H new ATOM 0 HZ2 LYS A 46 7.824 -1.731 14.646 1.00 36.74 H new ATOM 0 HZ3 LYS A 46 9.399 -1.106 14.753 1.00 36.74 H new ATOM 738 N ILE A 47 8.453 5.071 11.190 1.00 13.96 N ATOM 739 CA ILE A 47 9.108 5.871 10.120 1.00 16.93 C ATOM 740 C ILE A 47 10.457 5.229 9.779 1.00 16.52 C ATOM 741 O ILE A 47 10.870 4.265 10.394 1.00 17.67 O ATOM 742 CB ILE A 47 9.310 7.317 10.618 1.00 19.74 C ATOM 743 CG1 ILE A 47 9.199 8.296 9.447 1.00 19.39 C ATOM 744 CG2 ILE A 47 10.686 7.473 11.269 1.00 18.08 C ATOM 745 CD1 ILE A 47 8.615 9.619 9.945 1.00 18.26 C ATOM 0 H ILE A 47 9.043 4.865 11.996 1.00 13.96 H new ATOM 0 HA ILE A 47 8.485 5.892 9.226 1.00 16.93 H new ATOM 0 HB ILE A 47 8.537 7.535 11.355 1.00 19.74 H new ATOM 0 HG12 ILE A 47 10.181 8.463 9.004 1.00 19.39 H new ATOM 0 HG13 ILE A 47 8.564 7.876 8.667 1.00 19.39 H new ATOM 0 HG21 ILE A 47 10.811 8.499 11.614 1.00 18.08 H new ATOM 0 HG22 ILE A 47 10.767 6.793 12.117 1.00 18.08 H new ATOM 0 HG23 ILE A 47 11.462 7.238 10.540 1.00 18.08 H new ATOM 0 HD11 ILE A 47 8.535 10.318 9.112 1.00 18.26 H new ATOM 0 HD12 ILE A 47 7.626 9.444 10.368 1.00 18.26 H new ATOM 0 HD13 ILE A 47 9.267 10.040 10.710 1.00 18.26 H new ATOM 757 N THR A 48 11.149 5.759 8.814 1.00 16.86 N ATOM 758 CA THR A 48 12.471 5.187 8.446 1.00 16.59 C ATOM 759 C THR A 48 13.527 6.294 8.496 1.00 19.04 C ATOM 760 O THR A 48 13.314 7.388 8.013 1.00 22.56 O ATOM 761 CB THR A 48 12.396 4.615 7.031 1.00 16.30 C ATOM 762 OG1 THR A 48 11.063 4.719 6.551 1.00 17.90 O ATOM 763 CG2 THR A 48 12.820 3.147 7.048 1.00 16.02 C ATOM 0 H THR A 48 10.856 6.566 8.262 1.00 16.86 H new ATOM 0 HA THR A 48 12.740 4.394 9.144 1.00 16.59 H new ATOM 0 HB THR A 48 13.064 5.175 6.377 1.00 16.30 H new ATOM 0 HG1 THR A 48 11.067 5.133 5.663 1.00 17.90 H new ATOM 0 HG21 THR A 48 12.766 2.741 6.038 1.00 16.02 H new ATOM 0 HG22 THR A 48 13.843 3.068 7.416 1.00 16.02 H new ATOM 0 HG23 THR A 48 12.154 2.584 7.702 1.00 16.02 H new ATOM 771 N LEU A 49 14.664 6.020 9.074 1.00 18.35 N ATOM 772 CA LEU A 49 15.726 7.060 9.150 1.00 18.82 C ATOM 773 C LEU A 49 16.817 6.734 8.127 1.00 20.06 C ATOM 774 O LEU A 49 17.661 5.892 8.350 1.00 18.35 O ATOM 775 CB LEU A 49 16.319 7.091 10.568 1.00 18.79 C ATOM 776 CG LEU A 49 16.090 8.468 11.183 1.00 18.24 C ATOM 777 CD1 LEU A 49 16.531 9.550 10.193 1.00 20.41 C ATOM 778 CD2 LEU A 49 14.602 8.640 11.499 1.00 14.50 C ATOM 0 H LEU A 49 14.902 5.123 9.496 1.00 18.35 H new ATOM 0 HA LEU A 49 15.303 8.040 8.927 1.00 18.82 H new ATOM 0 HB2 LEU A 49 15.854 6.323 11.186 1.00 18.79 H new ATOM 0 HB3 LEU A 49 17.386 6.869 10.533 1.00 18.79 H new ATOM 0 HG LEU A 49 16.671 8.559 12.101 1.00 18.24 H new ATOM 0 HD11 LEU A 49 16.367 10.534 10.633 1.00 20.41 H new ATOM 0 HD12 LEU A 49 17.590 9.426 9.966 1.00 20.41 H new ATOM 0 HD13 LEU A 49 15.950 9.462 9.275 1.00 20.41 H new ATOM 0 HD21 LEU A 49 14.435 9.623 11.939 1.00 14.50 H new ATOM 0 HD22 LEU A 49 14.022 8.550 10.580 1.00 14.50 H new ATOM 0 HD23 LEU A 49 14.288 7.869 12.203 1.00 14.50 H new ATOM 790 N ASP A 50 16.798 7.388 6.998 1.00 22.62 N ATOM 791 CA ASP A 50 17.826 7.109 5.957 1.00 27.04 C ATOM 792 C ASP A 50 19.196 7.572 6.452 1.00 27.73 C ATOM 793 O ASP A 50 19.301 8.431 7.306 1.00 26.65 O ATOM 794 CB ASP A 50 17.466 7.859 4.673 1.00 29.11 C ATOM 795 CG ASP A 50 16.055 7.468 4.232 1.00 30.37 C ATOM 796 OD1 ASP A 50 15.111 7.963 4.825 1.00 30.76 O ATOM 797 OD2 ASP A 50 15.942 6.679 3.308 1.00 33.99 O ATOM 0 H ASP A 50 16.114 8.104 6.752 1.00 22.62 H new ATOM 0 HA ASP A 50 17.858 6.038 5.757 1.00 27.04 H new ATOM 0 HB2 ASP A 50 17.521 8.935 4.840 1.00 29.11 H new ATOM 0 HB3 ASP A 50 18.183 7.621 3.887 1.00 29.11 H new ATOM 802 N GLU A 51 20.249 7.012 5.923 1.00 31.16 N ATOM 803 CA GLU A 51 21.610 7.423 6.363 1.00 34.22 C ATOM 804 C GLU A 51 21.785 8.925 6.124 1.00 34.98 C ATOM 805 O GLU A 51 21.400 9.448 5.097 1.00 34.19 O ATOM 806 CB GLU A 51 22.661 6.648 5.567 1.00 38.24 C ATOM 807 CG GLU A 51 22.728 7.195 4.142 1.00 46.84 C ATOM 808 CD GLU A 51 23.690 6.345 3.311 1.00 51.38 C ATOM 809 OE1 GLU A 51 24.887 6.481 3.505 1.00 54.92 O ATOM 810 OE2 GLU A 51 23.214 5.572 2.497 1.00 53.83 O ATOM 0 H GLU A 51 20.225 6.288 5.205 1.00 31.16 H new ATOM 0 HA GLU A 51 21.733 7.207 7.424 1.00 34.22 H new ATOM 0 HB2 GLU A 51 23.635 6.737 6.048 1.00 38.24 H new ATOM 0 HB3 GLU A 51 22.410 5.587 5.549 1.00 38.24 H new ATOM 0 HG2 GLU A 51 21.736 7.185 3.691 1.00 46.84 H new ATOM 0 HG3 GLU A 51 23.062 8.232 4.155 1.00 46.84 H new ATOM 817 N GLY A 52 22.357 9.623 7.064 1.00 34.53 N ATOM 818 CA GLY A 52 22.550 11.089 6.888 1.00 34.93 C ATOM 819 C GLY A 52 21.326 11.829 7.429 1.00 36.10 C ATOM 820 O GLY A 52 21.433 12.907 7.980 1.00 35.97 O ATOM 0 H GLY A 52 22.699 9.242 7.946 1.00 34.53 H new ATOM 0 HA2 GLY A 52 23.448 11.415 7.413 1.00 34.93 H new ATOM 0 HA3 GLY A 52 22.695 11.324 5.834 1.00 34.93 H new ATOM 824 N GLN A 53 20.162 11.258 7.279 1.00 36.52 N ATOM 825 CA GLN A 53 18.933 11.926 7.786 1.00 35.40 C ATOM 826 C GLN A 53 18.850 11.745 9.308 1.00 31.02 C ATOM 827 O GLN A 53 18.873 10.631 9.792 1.00 29.05 O ATOM 828 CB GLN A 53 17.705 11.288 7.134 1.00 41.20 C ATOM 829 CG GLN A 53 17.066 12.284 6.165 1.00 47.61 C ATOM 830 CD GLN A 53 15.826 11.654 5.529 1.00 53.32 C ATOM 831 OE1 GLN A 53 15.661 10.450 5.554 1.00 53.91 O ATOM 832 NE2 GLN A 53 14.940 12.421 4.955 1.00 54.76 N ATOM 0 H GLN A 53 20.010 10.357 6.826 1.00 36.52 H new ATOM 0 HA GLN A 53 18.966 12.988 7.544 1.00 35.40 H new ATOM 0 HB2 GLN A 53 17.992 10.381 6.603 1.00 41.20 H new ATOM 0 HB3 GLN A 53 16.985 10.995 7.898 1.00 41.20 H new ATOM 0 HG2 GLN A 53 16.792 13.197 6.694 1.00 47.61 H new ATOM 0 HG3 GLN A 53 17.781 12.565 5.392 1.00 47.61 H new ATOM 0 HE21 GLN A 53 15.078 13.431 4.934 1.00 54.76 H new ATOM 0 HE22 GLN A 53 14.110 12.010 4.528 1.00 54.76 H new ATOM 841 N PRO A 54 18.756 12.841 10.021 1.00 27.43 N ATOM 842 CA PRO A 54 18.670 12.818 11.491 1.00 23.44 C ATOM 843 C PRO A 54 17.250 12.461 11.937 1.00 20.14 C ATOM 844 O PRO A 54 16.281 12.932 11.375 1.00 21.64 O ATOM 845 CB PRO A 54 19.023 14.248 11.898 1.00 24.39 C ATOM 846 CG PRO A 54 18.740 15.131 10.665 1.00 27.18 C ATOM 847 CD PRO A 54 18.730 14.198 9.441 1.00 28.37 C ATOM 0 HA PRO A 54 19.328 12.077 11.945 1.00 23.44 H new ATOM 0 HB2 PRO A 54 18.425 14.568 12.751 1.00 24.39 H new ATOM 0 HB3 PRO A 54 20.069 14.320 12.196 1.00 24.39 H new ATOM 0 HG2 PRO A 54 17.783 15.643 10.768 1.00 27.18 H new ATOM 0 HG3 PRO A 54 19.504 15.901 10.558 1.00 27.18 H new ATOM 0 HD2 PRO A 54 17.841 14.353 8.829 1.00 28.37 H new ATOM 0 HD3 PRO A 54 19.593 14.374 8.799 1.00 28.37 H new ATOM 855 N ALA A 55 17.125 11.631 12.942 1.00 17.21 N ATOM 856 CA ALA A 55 15.780 11.234 13.440 1.00 15.58 C ATOM 857 C ALA A 55 14.806 12.413 13.347 1.00 16.41 C ATOM 858 O ALA A 55 15.145 13.539 13.652 1.00 13.65 O ATOM 859 CB ALA A 55 15.914 10.797 14.896 1.00 13.98 C ATOM 0 H ALA A 55 17.908 11.209 13.441 1.00 17.21 H new ATOM 0 HA ALA A 55 15.392 10.417 12.831 1.00 15.58 H new ATOM 0 HB1 ALA A 55 14.937 10.502 15.279 1.00 13.98 H new ATOM 0 HB2 ALA A 55 16.599 9.952 14.961 1.00 13.98 H new ATOM 0 HB3 ALA A 55 16.302 11.625 15.490 1.00 13.98 H new ATOM 865 N TYR A 56 13.596 12.159 12.924 1.00 15.93 N ATOM 866 CA TYR A 56 12.596 13.261 12.805 1.00 14.61 C ATOM 867 C TYR A 56 12.529 14.034 14.122 1.00 15.51 C ATOM 868 O TYR A 56 12.046 13.539 15.120 1.00 17.19 O ATOM 869 CB TYR A 56 11.218 12.673 12.486 1.00 12.92 C ATOM 870 CG TYR A 56 11.286 11.916 11.177 1.00 11.75 C ATOM 871 CD1 TYR A 56 11.713 10.582 11.165 1.00 12.42 C ATOM 872 CD2 TYR A 56 10.929 12.547 9.981 1.00 7.14 C ATOM 873 CE1 TYR A 56 11.781 9.881 9.957 1.00 11.47 C ATOM 874 CE2 TYR A 56 10.998 11.844 8.773 1.00 7.90 C ATOM 875 CZ TYR A 56 11.423 10.511 8.761 1.00 10.29 C ATOM 876 OH TYR A 56 11.491 9.819 7.569 1.00 12.03 O ATOM 0 H TYR A 56 13.256 11.235 12.655 1.00 15.93 H new ATOM 0 HA TYR A 56 12.895 13.935 12.003 1.00 14.61 H new ATOM 0 HB2 TYR A 56 10.900 12.007 13.288 1.00 12.92 H new ATOM 0 HB3 TYR A 56 10.477 13.469 12.420 1.00 12.92 H new ATOM 0 HD1 TYR A 56 11.990 10.095 12.088 1.00 12.42 H new ATOM 0 HD2 TYR A 56 10.600 13.576 9.990 1.00 7.14 H new ATOM 0 HE1 TYR A 56 12.110 8.852 9.948 1.00 11.47 H new ATOM 0 HE2 TYR A 56 10.723 12.331 7.849 1.00 7.90 H new ATOM 0 HH TYR A 56 12.075 9.039 7.676 1.00 12.03 H new ATOM 886 N ALA A 57 13.008 15.247 14.132 1.00 13.38 N ATOM 887 CA ALA A 57 12.967 16.052 15.383 1.00 14.95 C ATOM 888 C ALA A 57 11.512 16.215 15.831 1.00 15.46 C ATOM 889 O ALA A 57 10.603 15.809 15.134 1.00 17.82 O ATOM 890 CB ALA A 57 13.579 17.431 15.123 1.00 14.98 C ATOM 0 H ALA A 57 13.426 15.715 13.328 1.00 13.38 H new ATOM 0 HA ALA A 57 13.535 15.545 16.163 1.00 14.95 H new ATOM 0 HB1 ALA A 57 13.549 18.021 16.039 1.00 14.98 H new ATOM 0 HB2 ALA A 57 14.613 17.315 14.800 1.00 14.98 H new ATOM 0 HB3 ALA A 57 13.011 17.940 14.345 1.00 14.98 H new ATOM 896 N PRO A 58 11.336 16.806 16.984 1.00 15.20 N ATOM 897 CA PRO A 58 10.001 17.042 17.560 1.00 16.55 C ATOM 898 C PRO A 58 9.327 18.235 16.875 1.00 16.75 C ATOM 899 O PRO A 58 9.731 19.368 17.042 1.00 17.28 O ATOM 900 CB PRO A 58 10.294 17.349 19.031 1.00 15.65 C ATOM 901 CG PRO A 58 11.766 17.823 19.094 1.00 14.16 C ATOM 902 CD PRO A 58 12.452 17.296 17.819 1.00 13.96 C ATOM 0 HA PRO A 58 9.323 16.198 17.434 1.00 16.55 H new ATOM 0 HB2 PRO A 58 9.622 18.119 19.408 1.00 15.65 H new ATOM 0 HB3 PRO A 58 10.144 16.464 19.650 1.00 15.65 H new ATOM 0 HG2 PRO A 58 11.821 18.911 19.143 1.00 14.16 H new ATOM 0 HG3 PRO A 58 12.259 17.438 19.987 1.00 14.16 H new ATOM 0 HD2 PRO A 58 13.012 18.083 17.314 1.00 13.96 H new ATOM 0 HD3 PRO A 58 13.159 16.498 18.048 1.00 13.96 H new ATOM 910 N GLY A 59 8.303 17.988 16.104 1.00 17.22 N ATOM 911 CA GLY A 59 7.608 19.108 15.409 1.00 15.08 C ATOM 912 C GLY A 59 6.460 18.557 14.561 1.00 14.96 C ATOM 913 O GLY A 59 6.229 17.367 14.514 1.00 13.79 O ATOM 0 H GLY A 59 7.918 17.060 15.926 1.00 17.22 H new ATOM 0 HA2 GLY A 59 7.224 19.819 16.140 1.00 15.08 H new ATOM 0 HA3 GLY A 59 8.312 19.649 14.777 1.00 15.08 H new ATOM 917 N LEU A 60 5.743 19.415 13.885 1.00 15.83 N ATOM 918 CA LEU A 60 4.617 18.943 13.030 1.00 14.53 C ATOM 919 C LEU A 60 5.193 18.307 11.766 1.00 14.15 C ATOM 920 O LEU A 60 6.195 18.755 11.247 1.00 13.27 O ATOM 921 CB LEU A 60 3.744 20.138 12.641 1.00 15.84 C ATOM 922 CG LEU A 60 2.280 19.822 12.936 1.00 16.91 C ATOM 923 CD1 LEU A 60 1.472 21.121 12.961 1.00 19.57 C ATOM 924 CD2 LEU A 60 1.729 18.896 11.848 1.00 15.01 C ATOM 0 H LEU A 60 5.890 20.424 13.889 1.00 15.83 H new ATOM 0 HA LEU A 60 4.016 18.214 13.573 1.00 14.53 H new ATOM 0 HB2 LEU A 60 4.054 21.023 13.196 1.00 15.84 H new ATOM 0 HB3 LEU A 60 3.871 20.365 11.582 1.00 15.84 H new ATOM 0 HG LEU A 60 2.202 19.329 13.905 1.00 16.91 H new ATOM 0 HD11 LEU A 60 0.427 20.895 13.172 1.00 19.57 H new ATOM 0 HD12 LEU A 60 1.865 21.779 13.736 1.00 19.57 H new ATOM 0 HD13 LEU A 60 1.548 21.616 11.993 1.00 19.57 H new ATOM 0 HD21 LEU A 60 0.684 18.670 12.058 1.00 15.01 H new ATOM 0 HD22 LEU A 60 1.806 19.388 10.878 1.00 15.01 H new ATOM 0 HD23 LEU A 60 2.304 17.970 11.832 1.00 15.01 H new ATOM 936 N TYR A 61 4.583 17.269 11.260 1.00 11.12 N ATOM 937 CA TYR A 61 5.129 16.634 10.034 1.00 9.57 C ATOM 938 C TYR A 61 4.039 16.391 9.011 1.00 11.76 C ATOM 939 O TYR A 61 2.862 16.407 9.299 1.00 11.26 O ATOM 940 CB TYR A 61 5.779 15.299 10.382 1.00 9.42 C ATOM 941 CG TYR A 61 7.173 15.564 10.874 1.00 10.29 C ATOM 942 CD1 TYR A 61 7.369 16.059 12.164 1.00 10.68 C ATOM 943 CD2 TYR A 61 8.266 15.335 10.032 1.00 10.26 C ATOM 944 CE1 TYR A 61 8.661 16.324 12.619 1.00 13.03 C ATOM 945 CE2 TYR A 61 9.559 15.600 10.485 1.00 13.99 C ATOM 946 CZ TYR A 61 9.755 16.095 11.777 1.00 11.06 C ATOM 947 OH TYR A 61 11.034 16.350 12.231 1.00 14.61 O ATOM 0 H TYR A 61 3.739 16.840 11.640 1.00 11.12 H new ATOM 0 HA TYR A 61 5.868 17.314 9.611 1.00 9.57 H new ATOM 0 HB2 TYR A 61 5.199 14.783 11.147 1.00 9.42 H new ATOM 0 HB3 TYR A 61 5.803 14.649 9.507 1.00 9.42 H new ATOM 0 HD1 TYR A 61 6.521 16.237 12.809 1.00 10.68 H new ATOM 0 HD2 TYR A 61 8.110 14.954 9.034 1.00 10.26 H new ATOM 0 HE1 TYR A 61 8.816 16.705 13.618 1.00 13.03 H new ATOM 0 HE2 TYR A 61 10.406 15.423 9.839 1.00 13.99 H new ATOM 0 HH TYR A 61 11.024 16.434 13.207 1.00 14.61 H new ATOM 957 N THR A 62 4.454 16.137 7.815 1.00 12.22 N ATOM 958 CA THR A 62 3.510 15.844 6.724 1.00 14.26 C ATOM 959 C THR A 62 4.184 14.804 5.861 1.00 15.40 C ATOM 960 O THR A 62 5.258 15.022 5.335 1.00 16.24 O ATOM 961 CB THR A 62 3.236 17.094 5.905 1.00 15.07 C ATOM 962 OG1 THR A 62 4.401 17.445 5.170 1.00 18.36 O ATOM 963 CG2 THR A 62 2.852 18.235 6.841 1.00 11.61 C ATOM 0 H THR A 62 5.437 16.120 7.542 1.00 12.22 H new ATOM 0 HA THR A 62 2.554 15.493 7.113 1.00 14.26 H new ATOM 0 HB THR A 62 2.418 16.905 5.210 1.00 15.07 H new ATOM 0 HG1 THR A 62 4.223 18.250 4.641 1.00 18.36 H new ATOM 0 HG21 THR A 62 2.655 19.134 6.257 1.00 11.61 H new ATOM 0 HG22 THR A 62 1.957 17.962 7.400 1.00 11.61 H new ATOM 0 HG23 THR A 62 3.670 18.426 7.536 1.00 11.61 H new ATOM 971 N VAL A 63 3.601 13.665 5.735 1.00 14.65 N ATOM 972 CA VAL A 63 4.265 12.621 4.931 1.00 15.17 C ATOM 973 C VAL A 63 4.620 13.197 3.566 1.00 14.24 C ATOM 974 O VAL A 63 4.175 14.265 3.195 1.00 19.13 O ATOM 975 CB VAL A 63 3.368 11.402 4.793 1.00 15.23 C ATOM 976 CG1 VAL A 63 4.234 10.202 4.421 1.00 14.85 C ATOM 977 CG2 VAL A 63 2.669 11.131 6.131 1.00 18.64 C ATOM 0 H VAL A 63 2.704 13.408 6.147 1.00 14.65 H new ATOM 0 HA VAL A 63 5.179 12.300 5.431 1.00 15.17 H new ATOM 0 HB VAL A 63 2.616 11.574 4.023 1.00 15.23 H new ATOM 0 HG11 VAL A 63 3.605 9.318 4.318 1.00 14.85 H new ATOM 0 HG12 VAL A 63 4.742 10.398 3.477 1.00 14.85 H new ATOM 0 HG13 VAL A 63 4.975 10.032 5.202 1.00 14.85 H new ATOM 0 HG21 VAL A 63 2.025 10.257 6.035 1.00 18.64 H new ATOM 0 HG22 VAL A 63 3.417 10.947 6.902 1.00 18.64 H new ATOM 0 HG23 VAL A 63 2.067 11.996 6.409 1.00 18.64 H new ATOM 987 N HIS A 64 5.435 12.511 2.827 1.00 13.31 N ATOM 988 CA HIS A 64 5.843 13.030 1.494 1.00 10.78 C ATOM 989 C HIS A 64 5.629 11.941 0.440 1.00 14.19 C ATOM 990 O HIS A 64 6.078 10.818 0.598 1.00 11.59 O ATOM 991 CB HIS A 64 7.323 13.424 1.539 1.00 11.86 C ATOM 992 CG HIS A 64 7.609 14.481 0.506 1.00 13.39 C ATOM 993 ND1 HIS A 64 7.010 14.482 -0.743 1.00 17.90 N ATOM 994 CD2 HIS A 64 8.452 15.566 0.517 1.00 17.63 C ATOM 995 CE1 HIS A 64 7.499 15.528 -1.429 1.00 19.32 C ATOM 996 NE2 HIS A 64 8.381 16.226 -0.708 1.00 20.65 N ATOM 0 H HIS A 64 5.839 11.611 3.086 1.00 13.31 H new ATOM 0 HA HIS A 64 5.243 13.903 1.237 1.00 10.78 H new ATOM 0 HB2 HIS A 64 7.578 13.796 2.531 1.00 11.86 H new ATOM 0 HB3 HIS A 64 7.946 12.548 1.357 1.00 11.86 H new ATOM 0 HD2 HIS A 64 9.075 15.862 1.348 1.00 17.63 H new ATOM 0 HE1 HIS A 64 7.214 15.775 -2.441 1.00 19.32 H new ATOM 0 HE2 HIS A 64 8.892 17.062 -0.993 1.00 20.65 H new ATOM 1004 N LEU A 65 4.949 12.266 -0.632 1.00 12.93 N ATOM 1005 CA LEU A 65 4.700 11.260 -1.701 1.00 14.44 C ATOM 1006 C LEU A 65 6.000 10.962 -2.455 1.00 12.66 C ATOM 1007 O LEU A 65 6.025 10.154 -3.362 1.00 10.20 O ATOM 1008 CB LEU A 65 3.633 11.792 -2.669 1.00 14.94 C ATOM 1009 CG LEU A 65 4.264 12.724 -3.690 1.00 19.65 C ATOM 1010 CD1 LEU A 65 4.200 12.074 -5.074 1.00 15.75 C ATOM 1011 CD2 LEU A 65 3.514 14.053 -3.712 1.00 19.03 C ATOM 0 H LEU A 65 4.555 13.190 -0.810 1.00 12.93 H new ATOM 0 HA LEU A 65 4.341 10.335 -1.249 1.00 14.44 H new ATOM 0 HB2 LEU A 65 3.147 10.960 -3.178 1.00 14.94 H new ATOM 0 HB3 LEU A 65 2.859 12.321 -2.113 1.00 14.94 H new ATOM 0 HG LEU A 65 5.304 12.907 -3.419 1.00 19.65 H new ATOM 0 HD11 LEU A 65 4.652 12.739 -5.810 1.00 15.75 H new ATOM 0 HD12 LEU A 65 4.743 11.129 -5.058 1.00 15.75 H new ATOM 0 HD13 LEU A 65 3.160 11.890 -5.342 1.00 15.75 H new ATOM 0 HD21 LEU A 65 3.971 14.717 -4.446 1.00 19.03 H new ATOM 0 HD22 LEU A 65 2.472 13.878 -3.980 1.00 19.03 H new ATOM 0 HD23 LEU A 65 3.562 14.514 -2.726 1.00 19.03 H new ATOM 1023 N SER A 66 7.088 11.588 -2.081 1.00 13.51 N ATOM 1024 CA SER A 66 8.368 11.305 -2.776 1.00 10.39 C ATOM 1025 C SER A 66 8.638 9.806 -2.657 1.00 8.56 C ATOM 1026 O SER A 66 9.435 9.241 -3.379 1.00 11.70 O ATOM 1027 CB SER A 66 9.501 12.086 -2.109 1.00 12.88 C ATOM 1028 OG SER A 66 10.731 11.410 -2.332 1.00 14.72 O ATOM 0 H SER A 66 7.140 12.276 -1.330 1.00 13.51 H new ATOM 0 HA SER A 66 8.309 11.603 -3.823 1.00 10.39 H new ATOM 0 HB2 SER A 66 9.549 13.097 -2.514 1.00 12.88 H new ATOM 0 HB3 SER A 66 9.313 12.180 -1.039 1.00 12.88 H new ATOM 0 HG SER A 66 11.460 11.909 -1.907 1.00 14.72 H new ATOM 1034 N SER A 67 7.971 9.165 -1.733 1.00 7.98 N ATOM 1035 CA SER A 67 8.165 7.707 -1.529 1.00 8.20 C ATOM 1036 C SER A 67 7.083 6.919 -2.278 1.00 11.02 C ATOM 1037 O SER A 67 7.132 5.707 -2.352 1.00 11.45 O ATOM 1038 CB SER A 67 8.067 7.396 -0.038 1.00 8.01 C ATOM 1039 OG SER A 67 9.051 8.148 0.660 1.00 11.22 O ATOM 0 H SER A 67 7.293 9.599 -1.106 1.00 7.98 H new ATOM 0 HA SER A 67 9.144 7.419 -1.911 1.00 8.20 H new ATOM 0 HB2 SER A 67 7.072 7.643 0.333 1.00 8.01 H new ATOM 0 HB3 SER A 67 8.216 6.330 0.134 1.00 8.01 H new ATOM 0 HG SER A 67 9.394 7.620 1.411 1.00 11.22 H new ATOM 1045 N PHE A 68 6.096 7.587 -2.814 1.00 10.09 N ATOM 1046 CA PHE A 68 5.010 6.858 -3.529 1.00 11.79 C ATOM 1047 C PHE A 68 5.498 6.444 -4.915 1.00 12.69 C ATOM 1048 O PHE A 68 6.393 7.045 -5.476 1.00 14.25 O ATOM 1049 CB PHE A 68 3.779 7.765 -3.656 1.00 10.08 C ATOM 1050 CG PHE A 68 3.363 8.274 -2.291 1.00 11.89 C ATOM 1051 CD1 PHE A 68 4.060 7.890 -1.132 1.00 12.12 C ATOM 1052 CD2 PHE A 68 2.298 9.176 -2.193 1.00 10.16 C ATOM 1053 CE1 PHE A 68 3.690 8.412 0.110 1.00 10.35 C ATOM 1054 CE2 PHE A 68 1.927 9.690 -0.948 1.00 9.89 C ATOM 1055 CZ PHE A 68 2.626 9.310 0.201 1.00 11.87 C ATOM 0 H PHE A 68 5.996 8.602 -2.788 1.00 10.09 H new ATOM 0 HA PHE A 68 4.739 5.965 -2.965 1.00 11.79 H new ATOM 0 HB2 PHE A 68 4.003 8.605 -4.313 1.00 10.08 H new ATOM 0 HB3 PHE A 68 2.957 7.214 -4.113 1.00 10.08 H new ATOM 0 HD1 PHE A 68 4.881 7.192 -1.202 1.00 12.12 H new ATOM 0 HD2 PHE A 68 1.762 9.475 -3.081 1.00 10.16 H new ATOM 0 HE1 PHE A 68 4.228 8.120 1.000 1.00 10.35 H new ATOM 0 HE2 PHE A 68 1.100 10.381 -0.873 1.00 9.89 H new ATOM 0 HZ PHE A 68 2.342 9.713 1.162 1.00 11.87 H new ATOM 1065 N LYS A 69 4.920 5.416 -5.468 1.00 12.51 N ATOM 1066 CA LYS A 69 5.354 4.955 -6.816 1.00 15.38 C ATOM 1067 C LYS A 69 4.129 4.674 -7.684 1.00 15.02 C ATOM 1068 O LYS A 69 3.005 4.703 -7.223 1.00 15.36 O ATOM 1069 CB LYS A 69 6.176 3.673 -6.674 1.00 16.04 C ATOM 1070 CG LYS A 69 5.535 2.771 -5.617 1.00 20.35 C ATOM 1071 CD LYS A 69 5.696 1.306 -6.028 1.00 21.35 C ATOM 1072 CE LYS A 69 4.837 0.424 -5.121 1.00 30.24 C ATOM 1073 NZ LYS A 69 3.675 -0.100 -5.893 1.00 32.70 N ATOM 0 H LYS A 69 4.166 4.875 -5.045 1.00 12.51 H new ATOM 0 HA LYS A 69 5.960 5.731 -7.284 1.00 15.38 H new ATOM 0 HB2 LYS A 69 6.226 3.152 -7.630 1.00 16.04 H new ATOM 0 HB3 LYS A 69 7.200 3.914 -6.389 1.00 16.04 H new ATOM 0 HG2 LYS A 69 6.003 2.941 -4.647 1.00 20.35 H new ATOM 0 HG3 LYS A 69 4.478 3.015 -5.508 1.00 20.35 H new ATOM 0 HD2 LYS A 69 5.399 1.174 -7.068 1.00 21.35 H new ATOM 0 HD3 LYS A 69 6.743 1.010 -5.956 1.00 21.35 H new ATOM 0 HE2 LYS A 69 5.431 -0.403 -4.731 1.00 30.24 H new ATOM 0 HE3 LYS A 69 4.488 0.998 -4.263 1.00 30.24 H new ATOM 0 HZ1 LYS A 69 3.081 -0.686 -5.272 1.00 32.70 H new ATOM 0 HZ2 LYS A 69 3.114 0.696 -6.258 1.00 32.70 H new ATOM 0 HZ3 LYS A 69 4.018 -0.676 -6.688 1.00 32.70 H new ATOM 1087 N VAL A 70 4.343 4.398 -8.940 1.00 13.65 N ATOM 1088 CA VAL A 70 3.201 4.109 -9.849 1.00 13.49 C ATOM 1089 C VAL A 70 3.411 2.746 -10.510 1.00 11.85 C ATOM 1090 O VAL A 70 4.481 2.441 -10.997 1.00 12.13 O ATOM 1091 CB VAL A 70 3.118 5.187 -10.922 1.00 14.48 C ATOM 1092 CG1 VAL A 70 1.779 5.080 -11.650 1.00 14.02 C ATOM 1093 CG2 VAL A 70 3.241 6.567 -10.272 1.00 15.63 C ATOM 0 H VAL A 70 5.264 4.360 -9.377 1.00 13.65 H new ATOM 0 HA VAL A 70 2.274 4.097 -9.276 1.00 13.49 H new ATOM 0 HB VAL A 70 3.930 5.051 -11.637 1.00 14.48 H new ATOM 0 HG11 VAL A 70 1.720 5.851 -12.418 1.00 14.02 H new ATOM 0 HG12 VAL A 70 1.695 4.098 -12.115 1.00 14.02 H new ATOM 0 HG13 VAL A 70 0.965 5.214 -10.937 1.00 14.02 H new ATOM 0 HG21 VAL A 70 3.182 7.338 -11.040 1.00 15.63 H new ATOM 0 HG22 VAL A 70 2.431 6.705 -9.556 1.00 15.63 H new ATOM 0 HG23 VAL A 70 4.198 6.642 -9.756 1.00 15.63 H new ATOM 1103 N GLY A 71 2.399 1.924 -10.530 1.00 11.15 N ATOM 1104 CA GLY A 71 2.544 0.581 -11.158 1.00 11.07 C ATOM 1105 C GLY A 71 1.685 -0.431 -10.399 1.00 12.15 C ATOM 1106 O GLY A 71 0.735 -0.075 -9.731 1.00 12.70 O ATOM 0 H GLY A 71 1.478 2.124 -10.139 1.00 11.15 H new ATOM 0 HA2 GLY A 71 2.239 0.622 -12.204 1.00 11.07 H new ATOM 0 HA3 GLY A 71 3.589 0.271 -11.143 1.00 11.07 H new ATOM 1110 N GLN A 72 2.008 -1.692 -10.497 1.00 15.78 N ATOM 1111 CA GLN A 72 1.206 -2.722 -9.781 1.00 19.42 C ATOM 1112 C GLN A 72 -0.258 -2.596 -10.200 1.00 16.97 C ATOM 1113 O GLN A 72 -1.096 -2.140 -9.447 1.00 20.46 O ATOM 1114 CB GLN A 72 1.329 -2.510 -8.271 1.00 22.64 C ATOM 1115 CG GLN A 72 0.664 -3.676 -7.536 1.00 25.29 C ATOM 1116 CD GLN A 72 1.301 -4.993 -7.984 1.00 26.29 C ATOM 1117 OE1 GLN A 72 0.706 -6.044 -7.854 1.00 26.22 O ATOM 1118 NE2 GLN A 72 2.496 -4.982 -8.511 1.00 25.15 N ATOM 0 H GLN A 72 2.792 -2.052 -11.041 1.00 15.78 H new ATOM 0 HA GLN A 72 1.575 -3.716 -10.034 1.00 19.42 H new ATOM 0 HB2 GLN A 72 2.379 -2.439 -7.987 1.00 22.64 H new ATOM 0 HB3 GLN A 72 0.857 -1.570 -7.985 1.00 22.64 H new ATOM 0 HG2 GLN A 72 0.778 -3.553 -6.459 1.00 25.29 H new ATOM 0 HG3 GLN A 72 -0.406 -3.688 -7.744 1.00 25.29 H new ATOM 0 HE21 GLN A 72 2.997 -4.100 -8.621 1.00 25.15 H new ATOM 0 HE22 GLN A 72 2.928 -5.855 -8.813 1.00 25.15 H new ATOM 1127 N PHE A 73 -0.568 -2.993 -11.403 1.00 14.56 N ATOM 1128 CA PHE A 73 -1.974 -2.895 -11.883 1.00 14.60 C ATOM 1129 C PHE A 73 -2.313 -1.431 -12.167 1.00 15.63 C ATOM 1130 O PHE A 73 -3.440 -1.090 -12.469 1.00 17.80 O ATOM 1131 CB PHE A 73 -2.919 -3.440 -10.813 1.00 12.63 C ATOM 1132 CG PHE A 73 -3.671 -4.621 -11.372 1.00 14.99 C ATOM 1133 CD1 PHE A 73 -4.251 -4.543 -12.643 1.00 16.27 C ATOM 1134 CD2 PHE A 73 -3.789 -5.795 -10.619 1.00 19.79 C ATOM 1135 CE1 PHE A 73 -4.949 -5.640 -13.163 1.00 20.44 C ATOM 1136 CE2 PHE A 73 -4.488 -6.892 -11.138 1.00 18.68 C ATOM 1137 CZ PHE A 73 -5.068 -6.814 -12.410 1.00 17.88 C ATOM 0 H PHE A 73 0.093 -3.382 -12.075 1.00 14.56 H new ATOM 0 HA PHE A 73 -2.088 -3.479 -12.796 1.00 14.60 H new ATOM 0 HB2 PHE A 73 -2.354 -3.738 -9.930 1.00 12.63 H new ATOM 0 HB3 PHE A 73 -3.617 -2.665 -10.498 1.00 12.63 H new ATOM 0 HD1 PHE A 73 -4.160 -3.637 -13.223 1.00 16.27 H new ATOM 0 HD2 PHE A 73 -3.341 -5.855 -9.638 1.00 19.79 H new ATOM 0 HE1 PHE A 73 -5.395 -5.580 -14.145 1.00 20.44 H new ATOM 0 HE2 PHE A 73 -4.580 -7.798 -10.557 1.00 18.68 H new ATOM 0 HZ PHE A 73 -5.607 -7.660 -12.810 1.00 17.88 H new ATOM 1147 N GLY A 74 -1.344 -0.562 -12.073 1.00 13.82 N ATOM 1148 CA GLY A 74 -1.607 0.880 -12.338 1.00 13.44 C ATOM 1149 C GLY A 74 -2.285 1.507 -11.119 1.00 10.42 C ATOM 1150 O GLY A 74 -3.247 2.240 -11.240 1.00 13.62 O ATOM 0 H GLY A 74 -0.381 -0.789 -11.824 1.00 13.82 H new ATOM 0 HA2 GLY A 74 -0.672 1.397 -12.554 1.00 13.44 H new ATOM 0 HA3 GLY A 74 -2.242 0.989 -13.217 1.00 13.44 H new ATOM 1154 N SER A 75 -1.793 1.224 -9.944 1.00 12.64 N ATOM 1155 CA SER A 75 -2.413 1.804 -8.720 1.00 12.47 C ATOM 1156 C SER A 75 -1.341 2.501 -7.879 1.00 12.47 C ATOM 1157 O SER A 75 -0.392 1.888 -7.433 1.00 11.32 O ATOM 1158 CB SER A 75 -3.057 0.687 -7.899 1.00 11.21 C ATOM 1159 OG SER A 75 -4.455 0.925 -7.798 1.00 18.27 O ATOM 0 H SER A 75 -0.990 0.617 -9.779 1.00 12.64 H new ATOM 0 HA SER A 75 -3.173 2.530 -9.009 1.00 12.47 H new ATOM 0 HB2 SER A 75 -2.874 -0.279 -8.370 1.00 11.21 H new ATOM 0 HB3 SER A 75 -2.611 0.646 -6.905 1.00 11.21 H new ATOM 0 HG SER A 75 -4.872 0.210 -7.274 1.00 18.27 H new ATOM 1165 N LEU A 76 -1.487 3.780 -7.654 1.00 12.43 N ATOM 1166 CA LEU A 76 -0.478 4.513 -6.838 1.00 12.18 C ATOM 1167 C LEU A 76 -0.324 3.814 -5.486 1.00 12.07 C ATOM 1168 O LEU A 76 -1.275 3.295 -4.936 1.00 9.82 O ATOM 1169 CB LEU A 76 -0.948 5.953 -6.621 1.00 11.99 C ATOM 1170 CG LEU A 76 0.259 6.850 -6.342 1.00 8.87 C ATOM 1171 CD1 LEU A 76 0.642 7.603 -7.618 1.00 9.28 C ATOM 1172 CD2 LEU A 76 -0.097 7.854 -5.243 1.00 7.80 C ATOM 0 H LEU A 76 -2.261 4.347 -8.000 1.00 12.43 H new ATOM 0 HA LEU A 76 0.481 4.521 -7.357 1.00 12.18 H new ATOM 0 HB2 LEU A 76 -1.482 6.309 -7.502 1.00 11.99 H new ATOM 0 HB3 LEU A 76 -1.647 5.996 -5.786 1.00 11.99 H new ATOM 0 HG LEU A 76 1.100 6.238 -6.017 1.00 8.87 H new ATOM 0 HD11 LEU A 76 1.502 8.242 -7.419 1.00 9.28 H new ATOM 0 HD12 LEU A 76 0.895 6.888 -8.401 1.00 9.28 H new ATOM 0 HD13 LEU A 76 -0.198 8.216 -7.945 1.00 9.28 H new ATOM 0 HD21 LEU A 76 0.762 8.494 -5.043 1.00 7.80 H new ATOM 0 HD22 LEU A 76 -0.938 8.466 -5.568 1.00 7.80 H new ATOM 0 HD23 LEU A 76 -0.369 7.317 -4.334 1.00 7.80 H new ATOM 1184 N MET A 77 0.865 3.792 -4.944 1.00 14.08 N ATOM 1185 CA MET A 77 1.066 3.117 -3.630 1.00 14.12 C ATOM 1186 C MET A 77 2.355 3.624 -2.979 1.00 11.37 C ATOM 1187 O MET A 77 3.355 3.833 -3.637 1.00 11.44 O ATOM 1188 CB MET A 77 1.173 1.605 -3.842 1.00 16.48 C ATOM 1189 CG MET A 77 -0.156 1.062 -4.371 1.00 24.75 C ATOM 1190 SD MET A 77 -0.155 -0.745 -4.265 1.00 35.11 S ATOM 1191 CE MET A 77 -1.141 -0.886 -2.755 1.00 33.86 C ATOM 0 H MET A 77 1.701 4.210 -5.352 1.00 14.08 H new ATOM 0 HA MET A 77 0.218 3.339 -2.982 1.00 14.12 H new ATOM 0 HB2 MET A 77 1.974 1.383 -4.547 1.00 16.48 H new ATOM 0 HB3 MET A 77 1.430 1.114 -2.903 1.00 16.48 H new ATOM 0 HG2 MET A 77 -0.984 1.470 -3.792 1.00 24.75 H new ATOM 0 HG3 MET A 77 -0.304 1.376 -5.404 1.00 24.75 H new ATOM 0 HE1 MET A 77 -1.267 -1.938 -2.500 1.00 33.86 H new ATOM 0 HE2 MET A 77 -0.632 -0.373 -1.939 1.00 33.86 H new ATOM 0 HE3 MET A 77 -2.119 -0.432 -2.915 1.00 33.86 H new ATOM 1201 N ILE A 78 2.338 3.816 -1.690 1.00 11.78 N ATOM 1202 CA ILE A 78 3.561 4.302 -0.990 1.00 11.62 C ATOM 1203 C ILE A 78 4.637 3.212 -1.012 1.00 11.45 C ATOM 1204 O ILE A 78 4.353 2.041 -0.854 1.00 12.59 O ATOM 1205 CB ILE A 78 3.231 4.623 0.465 1.00 12.05 C ATOM 1206 CG1 ILE A 78 2.327 5.854 0.543 1.00 7.09 C ATOM 1207 CG2 ILE A 78 4.526 4.892 1.233 1.00 10.70 C ATOM 1208 CD1 ILE A 78 0.967 5.452 1.118 1.00 13.67 C ATOM 0 H ILE A 78 1.529 3.657 -1.089 1.00 11.78 H new ATOM 0 HA ILE A 78 3.922 5.196 -1.498 1.00 11.62 H new ATOM 0 HB ILE A 78 2.711 3.773 0.907 1.00 12.05 H new ATOM 0 HG12 ILE A 78 2.788 6.618 1.170 1.00 7.09 H new ATOM 0 HG13 ILE A 78 2.201 6.289 -0.448 1.00 7.09 H new ATOM 0 HG21 ILE A 78 4.292 5.121 2.272 1.00 10.70 H new ATOM 0 HG22 ILE A 78 5.164 4.009 1.191 1.00 10.70 H new ATOM 0 HG23 ILE A 78 5.047 5.737 0.783 1.00 10.70 H new ATOM 0 HD11 ILE A 78 0.322 6.329 1.174 1.00 13.67 H new ATOM 0 HD12 ILE A 78 0.506 4.703 0.473 1.00 13.67 H new ATOM 0 HD13 ILE A 78 1.103 5.037 2.117 1.00 13.67 H new ATOM 1220 N ASP A 79 5.870 3.593 -1.183 1.00 10.05 N ATOM 1221 CA ASP A 79 6.977 2.590 -1.188 1.00 14.79 C ATOM 1222 C ASP A 79 7.790 2.750 0.100 1.00 15.20 C ATOM 1223 O ASP A 79 8.481 1.852 0.538 1.00 18.10 O ATOM 1224 CB ASP A 79 7.881 2.828 -2.400 1.00 12.21 C ATOM 1225 CG ASP A 79 8.808 1.626 -2.592 1.00 17.52 C ATOM 1226 OD1 ASP A 79 9.121 0.981 -1.604 1.00 24.06 O ATOM 1227 OD2 ASP A 79 9.189 1.371 -3.722 1.00 21.87 O ATOM 0 H ASP A 79 6.164 4.560 -1.320 1.00 10.05 H new ATOM 0 HA ASP A 79 6.565 1.582 -1.245 1.00 14.79 H new ATOM 0 HB2 ASP A 79 7.276 2.980 -3.294 1.00 12.21 H new ATOM 0 HB3 ASP A 79 8.469 3.734 -2.256 1.00 12.21 H new ATOM 1232 N ARG A 80 7.693 3.899 0.705 1.00 17.08 N ATOM 1233 CA ARG A 80 8.423 4.179 1.971 1.00 17.14 C ATOM 1234 C ARG A 80 8.192 5.647 2.306 1.00 14.98 C ATOM 1235 O ARG A 80 9.085 6.467 2.254 1.00 16.47 O ATOM 1236 CB ARG A 80 9.919 3.903 1.798 1.00 17.78 C ATOM 1237 CG ARG A 80 10.634 4.112 3.135 1.00 22.76 C ATOM 1238 CD ARG A 80 11.276 2.798 3.586 1.00 28.43 C ATOM 1239 NE ARG A 80 12.759 2.903 3.473 1.00 33.10 N ATOM 1240 CZ ARG A 80 13.525 2.034 4.078 1.00 30.84 C ATOM 1241 NH1 ARG A 80 12.996 1.072 4.785 1.00 33.12 N ATOM 1242 NH2 ARG A 80 14.822 2.128 3.976 1.00 35.04 N ATOM 0 H ARG A 80 7.124 4.675 0.366 1.00 17.08 H new ATOM 0 HA ARG A 80 8.062 3.537 2.774 1.00 17.14 H new ATOM 0 HB2 ARG A 80 10.073 2.883 1.446 1.00 17.78 H new ATOM 0 HB3 ARG A 80 10.337 4.567 1.042 1.00 17.78 H new ATOM 0 HG2 ARG A 80 11.396 4.885 3.034 1.00 22.76 H new ATOM 0 HG3 ARG A 80 9.926 4.459 3.887 1.00 22.76 H new ATOM 0 HD2 ARG A 80 10.994 2.578 4.616 1.00 28.43 H new ATOM 0 HD3 ARG A 80 10.912 1.974 2.973 1.00 28.43 H new ATOM 0 HE ARG A 80 13.176 3.654 2.923 1.00 33.10 H new ATOM 0 HH11 ARG A 80 11.982 0.997 4.866 1.00 33.12 H new ATOM 0 HH12 ARG A 80 13.597 0.395 5.256 1.00 33.12 H new ATOM 0 HH21 ARG A 80 15.237 2.879 3.425 1.00 35.04 H new ATOM 0 HH22 ARG A 80 15.421 1.450 4.448 1.00 35.04 H new ATOM 1256 N LEU A 81 6.968 5.960 2.613 1.00 11.03 N ATOM 1257 CA LEU A 81 6.556 7.355 2.926 1.00 11.27 C ATOM 1258 C LEU A 81 7.711 8.176 3.516 1.00 15.61 C ATOM 1259 O LEU A 81 8.247 7.864 4.560 1.00 18.56 O ATOM 1260 CB LEU A 81 5.365 7.300 3.889 1.00 13.62 C ATOM 1261 CG LEU A 81 5.832 7.414 5.337 1.00 12.84 C ATOM 1262 CD1 LEU A 81 4.608 7.464 6.254 1.00 11.44 C ATOM 1263 CD2 LEU A 81 6.684 6.188 5.688 1.00 18.72 C ATOM 0 H LEU A 81 6.208 5.281 2.662 1.00 11.03 H new ATOM 0 HA LEU A 81 6.266 7.859 2.004 1.00 11.27 H new ATOM 0 HB2 LEU A 81 4.670 8.109 3.662 1.00 13.62 H new ATOM 0 HB3 LEU A 81 4.822 6.365 3.750 1.00 13.62 H new ATOM 0 HG LEU A 81 6.424 8.320 5.467 1.00 12.84 H new ATOM 0 HD11 LEU A 81 4.933 7.545 7.291 1.00 11.44 H new ATOM 0 HD12 LEU A 81 3.996 8.328 5.997 1.00 11.44 H new ATOM 0 HD13 LEU A 81 4.022 6.554 6.128 1.00 11.44 H new ATOM 0 HD21 LEU A 81 7.021 6.263 6.722 1.00 18.72 H new ATOM 0 HD22 LEU A 81 6.088 5.284 5.565 1.00 18.72 H new ATOM 0 HD23 LEU A 81 7.549 6.145 5.026 1.00 18.72 H new ATOM 1275 N ARG A 82 8.081 9.242 2.854 1.00 13.37 N ATOM 1276 CA ARG A 82 9.175 10.103 3.380 1.00 12.72 C ATOM 1277 C ARG A 82 8.537 11.214 4.213 1.00 13.33 C ATOM 1278 O ARG A 82 7.974 12.150 3.686 1.00 13.27 O ATOM 1279 CB ARG A 82 9.962 10.713 2.217 1.00 13.85 C ATOM 1280 CG ARG A 82 11.425 10.890 2.627 1.00 16.22 C ATOM 1281 CD ARG A 82 12.307 10.937 1.377 1.00 16.62 C ATOM 1282 NE ARG A 82 12.558 12.356 0.998 1.00 15.85 N ATOM 1283 CZ ARG A 82 13.519 12.652 0.164 1.00 17.96 C ATOM 1284 NH1 ARG A 82 14.267 11.706 -0.339 1.00 20.55 N ATOM 1285 NH2 ARG A 82 13.733 13.895 -0.168 1.00 16.89 N ATOM 0 H ARG A 82 7.671 9.551 1.972 1.00 13.37 H new ATOM 0 HA ARG A 82 9.861 9.515 3.990 1.00 12.72 H new ATOM 0 HB2 ARG A 82 9.894 10.068 1.341 1.00 13.85 H new ATOM 0 HB3 ARG A 82 9.532 11.675 1.939 1.00 13.85 H new ATOM 0 HG2 ARG A 82 11.543 11.808 3.202 1.00 16.22 H new ATOM 0 HG3 ARG A 82 11.734 10.068 3.272 1.00 16.22 H new ATOM 0 HD2 ARG A 82 13.252 10.428 1.566 1.00 16.62 H new ATOM 0 HD3 ARG A 82 11.820 10.411 0.556 1.00 16.62 H new ATOM 0 HE ARG A 82 11.978 13.098 1.391 1.00 15.85 H new ATOM 0 HH11 ARG A 82 14.101 10.733 -0.081 1.00 20.55 H new ATOM 0 HH12 ARG A 82 15.017 11.940 -0.990 1.00 20.55 H new ATOM 0 HH21 ARG A 82 13.150 14.635 0.223 1.00 16.89 H new ATOM 0 HH22 ARG A 82 14.483 14.127 -0.819 1.00 16.89 H new ATOM 1299 N LEU A 83 8.587 11.101 5.509 1.00 13.53 N ATOM 1300 CA LEU A 83 7.946 12.135 6.365 1.00 13.86 C ATOM 1301 C LEU A 83 8.765 13.423 6.381 1.00 13.02 C ATOM 1302 O LEU A 83 9.973 13.419 6.250 1.00 14.40 O ATOM 1303 CB LEU A 83 7.797 11.612 7.793 1.00 9.93 C ATOM 1304 CG LEU A 83 6.884 12.548 8.569 1.00 8.07 C ATOM 1305 CD1 LEU A 83 5.428 12.126 8.362 1.00 8.88 C ATOM 1306 CD2 LEU A 83 7.232 12.480 10.057 1.00 10.58 C ATOM 0 H LEU A 83 9.043 10.340 6.012 1.00 13.53 H new ATOM 0 HA LEU A 83 6.963 12.354 5.947 1.00 13.86 H new ATOM 0 HB2 LEU A 83 7.383 10.604 7.784 1.00 9.93 H new ATOM 0 HB3 LEU A 83 8.772 11.551 8.276 1.00 9.93 H new ATOM 0 HG LEU A 83 7.019 13.569 8.212 1.00 8.07 H new ATOM 0 HD11 LEU A 83 4.772 12.796 8.918 1.00 8.88 H new ATOM 0 HD12 LEU A 83 5.182 12.175 7.301 1.00 8.88 H new ATOM 0 HD13 LEU A 83 5.291 11.105 8.719 1.00 8.88 H new ATOM 0 HD21 LEU A 83 6.578 13.151 10.615 1.00 10.58 H new ATOM 0 HD22 LEU A 83 7.097 11.460 10.416 1.00 10.58 H new ATOM 0 HD23 LEU A 83 8.269 12.781 10.202 1.00 10.58 H new ATOM 1318 N VAL A 84 8.094 14.528 6.541 1.00 11.81 N ATOM 1319 CA VAL A 84 8.776 15.840 6.575 1.00 12.86 C ATOM 1320 C VAL A 84 8.013 16.752 7.544 1.00 14.98 C ATOM 1321 O VAL A 84 6.825 16.585 7.731 1.00 13.59 O ATOM 1322 CB VAL A 84 8.742 16.436 5.169 1.00 14.61 C ATOM 1323 CG1 VAL A 84 9.357 15.444 4.179 1.00 17.65 C ATOM 1324 CG2 VAL A 84 7.291 16.722 4.772 1.00 17.34 C ATOM 0 H VAL A 84 7.081 14.572 6.651 1.00 11.81 H new ATOM 0 HA VAL A 84 9.810 15.737 6.904 1.00 12.86 H new ATOM 0 HB VAL A 84 9.313 17.364 5.153 1.00 14.61 H new ATOM 0 HG11 VAL A 84 9.333 15.869 3.176 1.00 17.65 H new ATOM 0 HG12 VAL A 84 10.390 15.240 4.462 1.00 17.65 H new ATOM 0 HG13 VAL A 84 8.787 14.515 4.193 1.00 17.65 H new ATOM 0 HG21 VAL A 84 7.265 17.147 3.769 1.00 17.34 H new ATOM 0 HG22 VAL A 84 6.720 15.794 4.787 1.00 17.34 H new ATOM 0 HG23 VAL A 84 6.853 17.429 5.477 1.00 17.34 H new ATOM 1334 N PRO A 85 8.704 17.698 8.121 1.00 18.65 N ATOM 1335 CA PRO A 85 8.093 18.656 9.059 1.00 22.41 C ATOM 1336 C PRO A 85 7.056 19.525 8.336 1.00 25.70 C ATOM 1337 O PRO A 85 7.223 19.884 7.187 1.00 22.08 O ATOM 1338 CB PRO A 85 9.280 19.465 9.584 1.00 21.19 C ATOM 1339 CG PRO A 85 10.405 19.276 8.555 1.00 18.95 C ATOM 1340 CD PRO A 85 10.139 17.916 7.887 1.00 20.63 C ATOM 0 HA PRO A 85 7.545 18.182 9.873 1.00 22.41 H new ATOM 0 HB2 PRO A 85 9.019 20.518 9.689 1.00 21.19 H new ATOM 0 HB3 PRO A 85 9.588 19.113 10.569 1.00 21.19 H new ATOM 0 HG2 PRO A 85 10.401 20.080 7.819 1.00 18.95 H new ATOM 0 HG3 PRO A 85 11.382 19.290 9.037 1.00 18.95 H new ATOM 0 HD2 PRO A 85 10.374 17.938 6.823 1.00 20.63 H new ATOM 0 HD3 PRO A 85 10.743 17.125 8.331 1.00 20.63 H new ATOM 1348 N ALA A 86 5.975 19.846 8.998 1.00 31.74 N ATOM 1349 CA ALA A 86 4.911 20.667 8.353 1.00 39.94 C ATOM 1350 C ALA A 86 5.345 22.133 8.312 1.00 46.96 C ATOM 1351 O ALA A 86 5.651 22.729 9.325 1.00 49.29 O ATOM 1352 CB ALA A 86 3.614 20.539 9.158 1.00 39.70 C ATOM 0 H ALA A 86 5.784 19.573 9.962 1.00 31.74 H new ATOM 0 HA ALA A 86 4.746 20.313 7.335 1.00 39.94 H new ATOM 0 HB1 ALA A 86 2.834 21.138 8.689 1.00 39.70 H new ATOM 0 HB2 ALA A 86 3.303 19.495 9.184 1.00 39.70 H new ATOM 0 HB3 ALA A 86 3.781 20.893 10.175 1.00 39.70 H new ATOM 1358 N LYS A 87 5.373 22.719 7.147 1.00 51.78 N ATOM 1359 CA LYS A 87 5.785 24.146 7.040 1.00 55.12 C ATOM 1360 C LYS A 87 4.976 24.985 8.031 1.00 55.82 C ATOM 1361 O LYS A 87 3.822 25.257 7.743 1.00 58.05 O ATOM 1362 CB LYS A 87 5.527 24.646 5.617 1.00 52.96 C ATOM 1363 CG LYS A 87 6.276 23.759 4.620 1.00 55.49 C ATOM 1364 CD LYS A 87 5.270 22.946 3.803 1.00 56.64 C ATOM 1365 CE LYS A 87 5.686 21.474 3.800 1.00 58.91 C ATOM 1366 NZ LYS A 87 5.618 20.942 2.409 1.00 58.16 N ATOM 1367 OXT LYS A 87 5.524 25.341 9.061 1.00 57.66 O ATOM 0 H LYS A 87 5.128 22.271 6.264 1.00 51.78 H new ATOM 0 HA LYS A 87 6.847 24.237 7.269 1.00 55.12 H new ATOM 0 HB2 LYS A 87 4.458 24.630 5.403 1.00 52.96 H new ATOM 0 HB3 LYS A 87 5.856 25.680 5.518 1.00 52.96 H new ATOM 0 HG2 LYS A 87 6.886 24.373 3.958 1.00 55.49 H new ATOM 0 HG3 LYS A 87 6.955 23.091 5.150 1.00 55.49 H new ATOM 0 HD2 LYS A 87 4.271 23.052 4.227 1.00 56.64 H new ATOM 0 HD3 LYS A 87 5.225 23.324 2.782 1.00 56.64 H new ATOM 0 HE2 LYS A 87 6.698 21.370 4.192 1.00 58.91 H new ATOM 0 HE3 LYS A 87 5.031 20.898 4.454 1.00 58.91 H new ATOM 0 HZ1 LYS A 87 5.901 19.941 2.406 1.00 58.16 H new ATOM 0 HZ2 LYS A 87 4.645 21.028 2.052 1.00 58.16 H new ATOM 0 HZ3 LYS A 87 6.261 21.485 1.798 1.00 58.16 H new ATOM 1382 N MET B 1 2.617 17.903 -3.665 1.00 42.32 N ATOM 1383 CA MET B 1 1.537 16.900 -3.445 1.00 40.89 C ATOM 1384 C MET B 1 1.567 15.866 -4.572 1.00 34.75 C ATOM 1385 O MET B 1 2.149 16.089 -5.614 1.00 33.97 O ATOM 1386 CB MET B 1 0.173 17.608 -3.436 1.00 48.45 C ATOM 1387 CG MET B 1 -0.278 17.892 -4.875 1.00 56.13 C ATOM 1388 SD MET B 1 0.860 19.071 -5.643 1.00 64.91 S ATOM 1389 CE MET B 1 0.084 20.579 -5.011 1.00 63.43 C ATOM 0 H1 MET B 1 2.932 18.280 -2.749 1.00 42.32 H new ATOM 0 H2 MET B 1 3.419 17.449 -4.147 1.00 42.32 H new ATOM 0 H3 MET B 1 2.254 18.680 -4.253 1.00 42.32 H new ATOM 0 HA MET B 1 1.693 16.401 -2.488 1.00 40.89 H new ATOM 0 HB2 MET B 1 -0.566 16.986 -2.930 1.00 48.45 H new ATOM 0 HB3 MET B 1 0.241 18.541 -2.876 1.00 48.45 H new ATOM 0 HG2 MET B 1 -0.301 16.966 -5.449 1.00 56.13 H new ATOM 0 HG3 MET B 1 -1.291 18.294 -4.877 1.00 56.13 H new ATOM 0 HE1 MET B 1 0.568 21.450 -5.453 1.00 63.43 H new ATOM 0 HE2 MET B 1 -0.974 20.580 -5.272 1.00 63.43 H new ATOM 0 HE3 MET B 1 0.190 20.616 -3.927 1.00 63.43 H new ATOM 1401 N ILE B 2 0.930 14.743 -4.378 1.00 28.59 N ATOM 1402 CA ILE B 2 0.909 13.709 -5.451 1.00 24.58 C ATOM 1403 C ILE B 2 0.251 14.327 -6.686 1.00 19.29 C ATOM 1404 O ILE B 2 -0.937 14.202 -6.900 1.00 19.53 O ATOM 1405 CB ILE B 2 0.102 12.501 -4.976 1.00 25.10 C ATOM 1406 CG1 ILE B 2 0.504 12.141 -3.549 1.00 28.92 C ATOM 1407 CG2 ILE B 2 0.379 11.304 -5.879 1.00 23.06 C ATOM 1408 CD1 ILE B 2 -0.754 11.986 -2.706 1.00 33.80 C ATOM 0 H ILE B 2 0.425 14.498 -3.526 1.00 28.59 H new ATOM 0 HA ILE B 2 1.920 13.380 -5.690 1.00 24.58 H new ATOM 0 HB ILE B 2 -0.958 12.752 -5.011 1.00 25.10 H new ATOM 0 HG12 ILE B 2 1.079 11.215 -3.542 1.00 28.92 H new ATOM 0 HG13 ILE B 2 1.145 12.917 -3.131 1.00 28.92 H new ATOM 0 HG21 ILE B 2 -0.199 10.447 -5.535 1.00 23.06 H new ATOM 0 HG22 ILE B 2 0.094 11.547 -6.903 1.00 23.06 H new ATOM 0 HG23 ILE B 2 1.441 11.062 -5.846 1.00 23.06 H new ATOM 0 HD11 ILE B 2 -0.477 11.728 -1.684 1.00 33.80 H new ATOM 0 HD12 ILE B 2 -1.310 12.924 -2.706 1.00 33.80 H new ATOM 0 HD13 ILE B 2 -1.377 11.195 -3.124 1.00 33.80 H new ATOM 1420 N LYS B 3 1.016 15.028 -7.477 1.00 18.14 N ATOM 1421 CA LYS B 3 0.448 15.705 -8.680 1.00 16.66 C ATOM 1422 C LYS B 3 -0.231 14.709 -9.615 1.00 14.94 C ATOM 1423 O LYS B 3 0.053 13.528 -9.608 1.00 13.94 O ATOM 1424 CB LYS B 3 1.567 16.428 -9.433 1.00 16.94 C ATOM 1425 CG LYS B 3 1.518 17.922 -9.110 1.00 17.85 C ATOM 1426 CD LYS B 3 2.859 18.566 -9.468 1.00 19.63 C ATOM 1427 CE LYS B 3 2.647 20.048 -9.779 1.00 26.28 C ATOM 1428 NZ LYS B 3 3.954 20.760 -9.715 1.00 32.72 N ATOM 0 H LYS B 3 2.018 15.162 -7.341 1.00 18.14 H new ATOM 0 HA LYS B 3 -0.303 16.419 -8.343 1.00 16.66 H new ATOM 0 HB2 LYS B 3 2.535 16.016 -9.150 1.00 16.94 H new ATOM 0 HB3 LYS B 3 1.456 16.273 -10.506 1.00 16.94 H new ATOM 0 HG2 LYS B 3 0.713 18.399 -9.668 1.00 17.85 H new ATOM 0 HG3 LYS B 3 1.303 18.069 -8.052 1.00 17.85 H new ATOM 0 HD2 LYS B 3 3.560 18.454 -8.641 1.00 19.63 H new ATOM 0 HD3 LYS B 3 3.298 18.062 -10.329 1.00 19.63 H new ATOM 0 HE2 LYS B 3 2.206 20.163 -10.769 1.00 26.28 H new ATOM 0 HE3 LYS B 3 1.948 20.484 -9.066 1.00 26.28 H new ATOM 0 HZ1 LYS B 3 3.811 21.768 -9.926 1.00 32.72 H new ATOM 0 HZ2 LYS B 3 4.357 20.660 -8.762 1.00 32.72 H new ATOM 0 HZ3 LYS B 3 4.607 20.350 -10.412 1.00 32.72 H new ATOM 1442 N VAL B 4 -1.134 15.201 -10.426 1.00 12.42 N ATOM 1443 CA VAL B 4 -1.860 14.321 -11.378 1.00 12.99 C ATOM 1444 C VAL B 4 -2.470 15.165 -12.499 1.00 14.26 C ATOM 1445 O VAL B 4 -2.541 16.375 -12.417 1.00 13.80 O ATOM 1446 CB VAL B 4 -2.981 13.583 -10.643 1.00 12.94 C ATOM 1447 CG1 VAL B 4 -3.703 12.642 -11.612 1.00 14.46 C ATOM 1448 CG2 VAL B 4 -2.397 12.774 -9.483 1.00 10.41 C ATOM 0 H VAL B 4 -1.398 16.185 -10.466 1.00 12.42 H new ATOM 0 HA VAL B 4 -1.160 13.600 -11.801 1.00 12.99 H new ATOM 0 HB VAL B 4 -3.690 14.312 -10.251 1.00 12.94 H new ATOM 0 HG11 VAL B 4 -4.500 12.118 -11.085 1.00 14.46 H new ATOM 0 HG12 VAL B 4 -4.129 13.221 -12.432 1.00 14.46 H new ATOM 0 HG13 VAL B 4 -2.994 11.916 -12.010 1.00 14.46 H new ATOM 0 HG21 VAL B 4 -3.200 12.251 -8.964 1.00 10.41 H new ATOM 0 HG22 VAL B 4 -1.682 12.048 -9.869 1.00 10.41 H new ATOM 0 HG23 VAL B 4 -1.893 13.446 -8.788 1.00 10.41 H new ATOM 1458 N GLU B 5 -2.915 14.525 -13.543 1.00 9.27 N ATOM 1459 CA GLU B 5 -3.531 15.259 -14.681 1.00 10.51 C ATOM 1460 C GLU B 5 -4.494 14.332 -15.403 1.00 10.00 C ATOM 1461 O GLU B 5 -4.104 13.490 -16.183 1.00 10.96 O ATOM 1462 CB GLU B 5 -2.439 15.717 -15.645 1.00 10.42 C ATOM 1463 CG GLU B 5 -1.845 17.021 -15.128 1.00 18.68 C ATOM 1464 CD GLU B 5 -0.791 17.534 -16.111 1.00 18.63 C ATOM 1465 OE1 GLU B 5 0.034 16.741 -16.533 1.00 19.38 O ATOM 1466 OE2 GLU B 5 -0.828 18.713 -16.427 1.00 22.12 O ATOM 0 H GLU B 5 -2.877 13.512 -13.657 1.00 9.27 H new ATOM 0 HA GLU B 5 -4.069 16.132 -14.310 1.00 10.51 H new ATOM 0 HB2 GLU B 5 -1.664 14.955 -15.727 1.00 10.42 H new ATOM 0 HB3 GLU B 5 -2.852 15.860 -16.643 1.00 10.42 H new ATOM 0 HG2 GLU B 5 -2.631 17.765 -15.002 1.00 18.68 H new ATOM 0 HG3 GLU B 5 -1.395 16.863 -14.148 1.00 18.68 H new ATOM 1473 N ILE B 6 -5.754 14.483 -15.152 1.00 9.86 N ATOM 1474 CA ILE B 6 -6.738 13.603 -15.841 1.00 10.60 C ATOM 1475 C ILE B 6 -6.797 14.022 -17.317 1.00 10.16 C ATOM 1476 O ILE B 6 -7.408 15.011 -17.671 1.00 11.64 O ATOM 1477 CB ILE B 6 -8.119 13.711 -15.156 1.00 9.14 C ATOM 1478 CG1 ILE B 6 -8.257 12.569 -14.144 1.00 14.23 C ATOM 1479 CG2 ILE B 6 -9.246 13.595 -16.182 1.00 12.29 C ATOM 1480 CD1 ILE B 6 -8.110 13.109 -12.721 1.00 13.81 C ATOM 0 H ILE B 6 -6.149 15.168 -14.508 1.00 9.86 H new ATOM 0 HA ILE B 6 -6.434 12.558 -15.779 1.00 10.60 H new ATOM 0 HB ILE B 6 -8.191 14.680 -14.662 1.00 9.14 H new ATOM 0 HG12 ILE B 6 -9.227 12.085 -14.260 1.00 14.23 H new ATOM 0 HG13 ILE B 6 -7.498 11.810 -14.334 1.00 14.23 H new ATOM 0 HG21 ILE B 6 -10.208 13.674 -15.676 1.00 12.29 H new ATOM 0 HG22 ILE B 6 -9.155 14.397 -16.915 1.00 12.29 H new ATOM 0 HG23 ILE B 6 -9.180 12.632 -16.688 1.00 12.29 H new ATOM 0 HD11 ILE B 6 -8.210 12.290 -12.009 1.00 13.81 H new ATOM 0 HD12 ILE B 6 -7.130 13.572 -12.607 1.00 13.81 H new ATOM 0 HD13 ILE B 6 -8.886 13.851 -12.531 1.00 13.81 H new ATOM 1492 N LYS B 7 -6.149 13.275 -18.176 1.00 11.63 N ATOM 1493 CA LYS B 7 -6.143 13.618 -19.623 1.00 11.59 C ATOM 1494 C LYS B 7 -7.580 13.846 -20.092 1.00 12.98 C ATOM 1495 O LYS B 7 -8.513 13.446 -19.425 1.00 9.79 O ATOM 1496 CB LYS B 7 -5.519 12.449 -20.393 1.00 12.52 C ATOM 1497 CG LYS B 7 -4.127 12.157 -19.836 1.00 14.26 C ATOM 1498 CD LYS B 7 -3.077 12.904 -20.659 1.00 15.70 C ATOM 1499 CE LYS B 7 -2.888 12.202 -22.004 1.00 19.19 C ATOM 1500 NZ LYS B 7 -2.067 13.061 -22.902 1.00 25.43 N ATOM 0 H LYS B 7 -5.621 12.437 -17.931 1.00 11.63 H new ATOM 0 HA LYS B 7 -5.566 14.526 -19.799 1.00 11.59 H new ATOM 0 HB2 LYS B 7 -6.150 11.564 -20.306 1.00 12.52 H new ATOM 0 HB3 LYS B 7 -5.454 12.692 -21.454 1.00 12.52 H new ATOM 0 HG2 LYS B 7 -4.071 12.464 -18.792 1.00 14.26 H new ATOM 0 HG3 LYS B 7 -3.931 11.085 -19.864 1.00 14.26 H new ATOM 0 HD2 LYS B 7 -3.390 13.936 -20.816 1.00 15.70 H new ATOM 0 HD3 LYS B 7 -2.131 12.937 -20.118 1.00 15.70 H new ATOM 0 HE2 LYS B 7 -2.399 11.239 -21.858 1.00 19.19 H new ATOM 0 HE3 LYS B 7 -3.857 12.002 -22.461 1.00 19.19 H new ATOM 0 HZ1 LYS B 7 -1.938 12.584 -23.817 1.00 25.43 H new ATOM 0 HZ2 LYS B 7 -2.551 13.970 -23.051 1.00 25.43 H new ATOM 0 HZ3 LYS B 7 -1.138 13.230 -22.466 1.00 25.43 H new ATOM 1514 N PRO B 8 -7.722 14.471 -21.234 1.00 13.56 N ATOM 1515 CA PRO B 8 -9.045 14.742 -21.809 1.00 11.93 C ATOM 1516 C PRO B 8 -9.646 13.436 -22.324 1.00 10.20 C ATOM 1517 O PRO B 8 -10.813 13.359 -22.653 1.00 12.05 O ATOM 1518 CB PRO B 8 -8.760 15.736 -22.938 1.00 12.78 C ATOM 1519 CG PRO B 8 -7.266 15.565 -23.297 1.00 12.51 C ATOM 1520 CD PRO B 8 -6.590 14.948 -22.058 1.00 13.61 C ATOM 0 HA PRO B 8 -9.766 15.148 -21.099 1.00 11.93 H new ATOM 0 HB2 PRO B 8 -9.393 15.535 -23.802 1.00 12.78 H new ATOM 0 HB3 PRO B 8 -8.969 16.757 -22.620 1.00 12.78 H new ATOM 0 HG2 PRO B 8 -7.147 14.919 -24.167 1.00 12.51 H new ATOM 0 HG3 PRO B 8 -6.814 16.525 -23.549 1.00 12.51 H new ATOM 0 HD2 PRO B 8 -5.923 14.130 -22.332 1.00 13.61 H new ATOM 0 HD3 PRO B 8 -5.989 15.683 -21.523 1.00 13.61 H new ATOM 1528 N SER B 9 -8.854 12.400 -22.365 1.00 10.65 N ATOM 1529 CA SER B 9 -9.369 11.083 -22.822 1.00 10.83 C ATOM 1530 C SER B 9 -9.534 10.175 -21.599 1.00 10.94 C ATOM 1531 O SER B 9 -9.729 8.982 -21.719 1.00 13.16 O ATOM 1532 CB SER B 9 -8.375 10.453 -23.799 1.00 13.01 C ATOM 1533 OG SER B 9 -9.079 9.951 -24.927 1.00 15.52 O ATOM 0 H SER B 9 -7.869 12.411 -22.100 1.00 10.65 H new ATOM 0 HA SER B 9 -10.327 11.211 -23.326 1.00 10.83 H new ATOM 0 HB2 SER B 9 -7.639 11.193 -24.115 1.00 13.01 H new ATOM 0 HB3 SER B 9 -7.827 9.648 -23.310 1.00 13.01 H new ATOM 0 HG SER B 9 -8.444 9.548 -25.556 1.00 15.52 H new ATOM 1539 N GLN B 10 -9.452 10.736 -20.418 1.00 10.02 N ATOM 1540 CA GLN B 10 -9.597 9.917 -19.184 1.00 11.55 C ATOM 1541 C GLN B 10 -10.482 10.661 -18.184 1.00 13.72 C ATOM 1542 O GLN B 10 -10.232 10.647 -16.997 1.00 17.31 O ATOM 1543 CB GLN B 10 -8.224 9.692 -18.554 1.00 6.60 C ATOM 1544 CG GLN B 10 -7.188 9.468 -19.651 1.00 7.20 C ATOM 1545 CD GLN B 10 -7.303 8.038 -20.183 1.00 10.36 C ATOM 1546 OE1 GLN B 10 -8.356 7.436 -20.118 1.00 13.01 O ATOM 1547 NE2 GLN B 10 -6.257 7.466 -20.713 1.00 4.80 N ATOM 0 H GLN B 10 -9.290 11.730 -20.259 1.00 10.02 H new ATOM 0 HA GLN B 10 -10.047 8.958 -19.440 1.00 11.55 H new ATOM 0 HB2 GLN B 10 -7.945 10.554 -17.947 1.00 6.60 H new ATOM 0 HB3 GLN B 10 -8.255 8.830 -17.888 1.00 6.60 H new ATOM 0 HG2 GLN B 10 -7.341 10.181 -20.461 1.00 7.20 H new ATOM 0 HG3 GLN B 10 -6.186 9.641 -19.259 1.00 7.20 H new ATOM 0 HE21 GLN B 10 -5.373 7.971 -20.768 1.00 4.80 H new ATOM 0 HE22 GLN B 10 -6.324 6.514 -21.073 1.00 4.80 H new ATOM 1556 N ALA B 11 -11.503 11.327 -18.650 1.00 15.28 N ATOM 1557 CA ALA B 11 -12.384 12.081 -17.712 1.00 18.95 C ATOM 1558 C ALA B 11 -13.767 11.429 -17.643 1.00 20.75 C ATOM 1559 O ALA B 11 -14.764 12.093 -17.440 1.00 24.78 O ATOM 1560 CB ALA B 11 -12.526 13.522 -18.200 1.00 17.72 C ATOM 0 H ALA B 11 -11.765 11.382 -19.634 1.00 15.28 H new ATOM 0 HA ALA B 11 -11.937 12.068 -16.718 1.00 18.95 H new ATOM 0 HB1 ALA B 11 -13.169 14.076 -17.516 1.00 17.72 H new ATOM 0 HB2 ALA B 11 -11.544 13.993 -18.235 1.00 17.72 H new ATOM 0 HB3 ALA B 11 -12.966 13.527 -19.197 1.00 17.72 H new ATOM 1566 N GLN B 12 -13.837 10.138 -17.805 1.00 22.50 N ATOM 1567 CA GLN B 12 -15.155 9.450 -17.740 1.00 25.43 C ATOM 1568 C GLN B 12 -15.002 8.125 -16.999 1.00 22.80 C ATOM 1569 O GLN B 12 -14.103 7.353 -17.268 1.00 20.93 O ATOM 1570 CB GLN B 12 -15.664 9.192 -19.153 1.00 30.18 C ATOM 1571 CG GLN B 12 -16.435 10.418 -19.624 1.00 42.11 C ATOM 1572 CD GLN B 12 -16.758 10.286 -21.113 1.00 46.61 C ATOM 1573 OE1 GLN B 12 -17.906 10.356 -21.506 1.00 46.27 O ATOM 1574 NE2 GLN B 12 -15.788 10.094 -21.965 1.00 47.90 N ATOM 0 H GLN B 12 -13.038 9.529 -17.980 1.00 22.50 H new ATOM 0 HA GLN B 12 -15.869 10.080 -17.209 1.00 25.43 H new ATOM 0 HB2 GLN B 12 -14.830 8.989 -19.824 1.00 30.18 H new ATOM 0 HB3 GLN B 12 -16.307 8.312 -19.169 1.00 30.18 H new ATOM 0 HG2 GLN B 12 -17.356 10.522 -19.051 1.00 42.11 H new ATOM 0 HG3 GLN B 12 -15.847 11.319 -19.449 1.00 42.11 H new ATOM 0 HE21 GLN B 12 -14.824 10.035 -21.636 1.00 47.90 H new ATOM 0 HE22 GLN B 12 -15.994 10.003 -22.960 1.00 47.90 H new ATOM 1583 N PHE B 13 -15.869 7.854 -16.064 1.00 21.61 N ATOM 1584 CA PHE B 13 -15.766 6.585 -15.310 1.00 20.51 C ATOM 1585 C PHE B 13 -16.559 5.498 -16.025 1.00 18.83 C ATOM 1586 O PHE B 13 -17.487 5.769 -16.761 1.00 18.83 O ATOM 1587 CB PHE B 13 -16.339 6.784 -13.914 1.00 19.56 C ATOM 1588 CG PHE B 13 -17.771 7.237 -14.045 1.00 19.62 C ATOM 1589 CD1 PHE B 13 -18.780 6.303 -14.304 1.00 20.50 C ATOM 1590 CD2 PHE B 13 -18.089 8.594 -13.917 1.00 15.55 C ATOM 1591 CE1 PHE B 13 -20.107 6.725 -14.432 1.00 20.75 C ATOM 1592 CE2 PHE B 13 -19.416 9.017 -14.045 1.00 14.07 C ATOM 1593 CZ PHE B 13 -20.424 8.082 -14.302 1.00 18.48 C ATOM 0 H PHE B 13 -16.643 8.460 -15.793 1.00 21.61 H new ATOM 0 HA PHE B 13 -14.720 6.287 -15.243 1.00 20.51 H new ATOM 0 HB2 PHE B 13 -16.286 5.855 -13.347 1.00 19.56 H new ATOM 0 HB3 PHE B 13 -15.756 7.525 -13.367 1.00 19.56 H new ATOM 0 HD1 PHE B 13 -18.534 5.256 -14.405 1.00 20.50 H new ATOM 0 HD2 PHE B 13 -17.309 9.315 -13.719 1.00 15.55 H new ATOM 0 HE1 PHE B 13 -20.887 6.004 -14.631 1.00 20.75 H new ATOM 0 HE2 PHE B 13 -19.662 10.064 -13.946 1.00 14.07 H new ATOM 0 HZ PHE B 13 -21.449 8.408 -14.400 1.00 18.48 H new ATOM 1603 N THR B 14 -16.205 4.268 -15.804 1.00 14.89 N ATOM 1604 CA THR B 14 -16.938 3.153 -16.455 1.00 13.37 C ATOM 1605 C THR B 14 -17.216 2.072 -15.414 1.00 11.97 C ATOM 1606 O THR B 14 -16.468 1.898 -14.473 1.00 10.76 O ATOM 1607 CB THR B 14 -16.089 2.566 -17.582 1.00 13.68 C ATOM 1608 OG1 THR B 14 -15.851 3.564 -18.565 1.00 13.48 O ATOM 1609 CG2 THR B 14 -16.828 1.387 -18.216 1.00 9.24 C ATOM 0 H THR B 14 -15.435 3.985 -15.197 1.00 14.89 H new ATOM 0 HA THR B 14 -17.876 3.522 -16.869 1.00 13.37 H new ATOM 0 HB THR B 14 -15.137 2.221 -17.179 1.00 13.68 H new ATOM 0 HG1 THR B 14 -15.305 3.188 -19.287 1.00 13.48 H new ATOM 0 HG21 THR B 14 -16.223 0.968 -19.020 1.00 9.24 H new ATOM 0 HG22 THR B 14 -17.008 0.622 -17.461 1.00 9.24 H new ATOM 0 HG23 THR B 14 -17.781 1.729 -18.620 1.00 9.24 H new ATOM 1617 N THR B 15 -18.282 1.344 -15.570 1.00 13.20 N ATOM 1618 CA THR B 15 -18.595 0.279 -14.583 1.00 12.54 C ATOM 1619 C THR B 15 -17.786 -0.972 -14.920 1.00 14.34 C ATOM 1620 O THR B 15 -18.047 -1.650 -15.894 1.00 17.35 O ATOM 1621 CB THR B 15 -20.086 -0.050 -14.634 1.00 11.88 C ATOM 1622 OG1 THR B 15 -20.809 1.094 -15.067 1.00 17.15 O ATOM 1623 CG2 THR B 15 -20.562 -0.464 -13.243 1.00 8.30 C ATOM 0 H THR B 15 -18.949 1.440 -16.336 1.00 13.20 H new ATOM 0 HA THR B 15 -18.338 0.625 -13.582 1.00 12.54 H new ATOM 0 HB THR B 15 -20.256 -0.869 -15.333 1.00 11.88 H new ATOM 0 HG1 THR B 15 -21.765 0.883 -15.102 1.00 17.15 H new ATOM 0 HG21 THR B 15 -21.626 -0.699 -13.277 1.00 8.30 H new ATOM 0 HG22 THR B 15 -20.007 -1.343 -12.915 1.00 8.30 H new ATOM 0 HG23 THR B 15 -20.394 0.354 -12.542 1.00 8.30 H new ATOM 1816 N LEU B 28 -17.848 -0.759 -9.423 1.00 18.57 N ATOM 1817 CA LEU B 28 -17.944 0.697 -9.123 1.00 16.31 C ATOM 1818 C LEU B 28 -17.354 1.520 -10.274 1.00 14.21 C ATOM 1819 O LEU B 28 -16.326 1.186 -10.830 1.00 16.97 O ATOM 1820 CB LEU B 28 -17.173 0.990 -7.836 1.00 16.48 C ATOM 1821 CG LEU B 28 -17.904 2.068 -7.034 1.00 22.19 C ATOM 1822 CD1 LEU B 28 -17.827 1.733 -5.543 1.00 24.00 C ATOM 1823 CD2 LEU B 28 -17.245 3.426 -7.288 1.00 22.01 C ATOM 0 HA LEU B 28 -18.992 0.971 -9.002 1.00 16.31 H new ATOM 0 HB2 LEU B 28 -17.079 0.081 -7.242 1.00 16.48 H new ATOM 0 HB3 LEU B 28 -16.162 1.322 -8.073 1.00 16.48 H new ATOM 0 HG LEU B 28 -18.948 2.108 -7.344 1.00 22.19 H new ATOM 0 HD11 LEU B 28 -18.348 2.501 -4.970 1.00 24.00 H new ATOM 0 HD12 LEU B 28 -18.295 0.765 -5.363 1.00 24.00 H new ATOM 0 HD13 LEU B 28 -16.783 1.694 -5.232 1.00 24.00 H new ATOM 0 HD21 LEU B 28 -17.765 4.195 -6.717 1.00 22.01 H new ATOM 0 HD22 LEU B 28 -16.201 3.387 -6.978 1.00 22.01 H new ATOM 0 HD23 LEU B 28 -17.299 3.664 -8.350 1.00 22.01 H new ATOM 1835 N ASN B 29 -18.000 2.600 -10.627 1.00 11.64 N ATOM 1836 CA ASN B 29 -17.488 3.461 -11.734 1.00 9.77 C ATOM 1837 C ASN B 29 -15.992 3.722 -11.533 1.00 7.94 C ATOM 1838 O ASN B 29 -15.581 4.315 -10.555 1.00 10.52 O ATOM 1839 CB ASN B 29 -18.233 4.814 -11.779 1.00 14.73 C ATOM 1840 CG ASN B 29 -18.923 5.146 -10.444 1.00 17.90 C ATOM 1841 OD1 ASN B 29 -18.957 4.352 -9.527 1.00 23.31 O ATOM 1842 ND2 ASN B 29 -19.485 6.315 -10.300 1.00 12.89 N ATOM 0 H ASN B 29 -18.865 2.924 -10.194 1.00 11.64 H new ATOM 0 HA ASN B 29 -17.657 2.938 -12.675 1.00 9.77 H new ATOM 0 HB2 ASN B 29 -17.527 5.607 -12.028 1.00 14.73 H new ATOM 0 HB3 ASN B 29 -18.978 4.790 -12.574 1.00 14.73 H new ATOM 0 HD21 ASN B 29 -19.947 6.554 -9.423 1.00 12.89 H new ATOM 0 HD22 ASN B 29 -19.462 6.990 -11.065 1.00 12.89 H new ATOM 1849 N GLU B 30 -15.174 3.286 -12.454 1.00 8.58 N ATOM 1850 CA GLU B 30 -13.704 3.509 -12.322 1.00 13.16 C ATOM 1851 C GLU B 30 -13.231 4.477 -13.413 1.00 12.26 C ATOM 1852 O GLU B 30 -13.765 4.505 -14.503 1.00 10.58 O ATOM 1853 CB GLU B 30 -12.973 2.173 -12.476 1.00 14.93 C ATOM 1854 CG GLU B 30 -13.129 1.354 -11.192 1.00 27.13 C ATOM 1855 CD GLU B 30 -13.361 -0.115 -11.547 1.00 33.28 C ATOM 1856 OE1 GLU B 30 -13.650 -0.387 -12.701 1.00 38.01 O ATOM 1857 OE2 GLU B 30 -13.247 -0.944 -10.660 1.00 40.03 O ATOM 0 H GLU B 30 -15.461 2.784 -13.294 1.00 8.58 H new ATOM 0 HA GLU B 30 -13.488 3.934 -11.342 1.00 13.16 H new ATOM 0 HB2 GLU B 30 -13.378 1.620 -13.324 1.00 14.93 H new ATOM 0 HB3 GLU B 30 -11.917 2.346 -12.683 1.00 14.93 H new ATOM 0 HG2 GLU B 30 -12.236 1.453 -10.575 1.00 27.13 H new ATOM 0 HG3 GLU B 30 -13.966 1.734 -10.606 1.00 27.13 H new ATOM 1864 N GLN B 31 -12.230 5.269 -13.128 1.00 10.34 N ATOM 1865 CA GLN B 31 -11.722 6.232 -14.151 1.00 9.46 C ATOM 1866 C GLN B 31 -10.198 6.123 -14.233 1.00 10.09 C ATOM 1867 O GLN B 31 -9.597 5.228 -13.673 1.00 9.36 O ATOM 1868 CB GLN B 31 -12.105 7.666 -13.748 1.00 7.25 C ATOM 1869 CG GLN B 31 -12.890 8.343 -14.881 1.00 10.62 C ATOM 1870 CD GLN B 31 -12.510 9.825 -14.956 1.00 8.77 C ATOM 1871 OE1 GLN B 31 -13.363 10.676 -15.094 1.00 8.56 O ATOM 1872 NE2 GLN B 31 -11.257 10.173 -14.871 1.00 12.39 N ATOM 0 H GLN B 31 -11.743 5.291 -12.232 1.00 10.34 H new ATOM 0 HA GLN B 31 -12.163 5.997 -15.120 1.00 9.46 H new ATOM 0 HB2 GLN B 31 -12.707 7.648 -12.839 1.00 7.25 H new ATOM 0 HB3 GLN B 31 -11.206 8.241 -13.524 1.00 7.25 H new ATOM 0 HG2 GLN B 31 -12.673 7.853 -15.830 1.00 10.62 H new ATOM 0 HG3 GLN B 31 -13.961 8.240 -14.707 1.00 10.62 H new ATOM 0 HE21 GLN B 31 -10.537 9.460 -14.755 1.00 12.39 H new ATOM 0 HE22 GLN B 31 -10.997 11.158 -14.921 1.00 12.39 H new ATOM 1881 N LEU B 32 -9.569 7.031 -14.926 1.00 6.80 N ATOM 1882 CA LEU B 32 -8.086 6.986 -15.045 1.00 10.34 C ATOM 1883 C LEU B 32 -7.506 8.356 -14.670 1.00 9.02 C ATOM 1884 O LEU B 32 -8.232 9.285 -14.376 1.00 11.15 O ATOM 1885 CB LEU B 32 -7.710 6.635 -16.485 1.00 10.20 C ATOM 1886 CG LEU B 32 -7.800 5.120 -16.680 1.00 16.38 C ATOM 1887 CD1 LEU B 32 -8.660 4.812 -17.908 1.00 17.42 C ATOM 1888 CD2 LEU B 32 -6.396 4.544 -16.882 1.00 15.89 C ATOM 0 H LEU B 32 -10.020 7.804 -15.416 1.00 6.80 H new ATOM 0 HA LEU B 32 -7.680 6.230 -14.372 1.00 10.34 H new ATOM 0 HB2 LEU B 32 -8.378 7.142 -17.181 1.00 10.20 H new ATOM 0 HB3 LEU B 32 -6.700 6.981 -16.703 1.00 10.20 H new ATOM 0 HG LEU B 32 -8.253 4.669 -15.797 1.00 16.38 H new ATOM 0 HD11 LEU B 32 -8.724 3.733 -18.046 1.00 17.42 H new ATOM 0 HD12 LEU B 32 -9.661 5.219 -17.763 1.00 17.42 H new ATOM 0 HD13 LEU B 32 -8.209 5.265 -18.791 1.00 17.42 H new ATOM 0 HD21 LEU B 32 -6.462 3.465 -17.021 1.00 15.89 H new ATOM 0 HD22 LEU B 32 -5.941 4.996 -17.763 1.00 15.89 H new ATOM 0 HD23 LEU B 32 -5.784 4.760 -16.006 1.00 15.89 H new ATOM 1900 N CYS B 33 -6.205 8.492 -14.671 1.00 9.68 N ATOM 1901 CA CYS B 33 -5.587 9.796 -14.308 1.00 8.10 C ATOM 1902 C CYS B 33 -4.089 9.710 -14.577 1.00 6.34 C ATOM 1903 O CYS B 33 -3.537 8.637 -14.709 1.00 8.02 O ATOM 1904 CB CYS B 33 -5.805 10.111 -12.820 1.00 8.88 C ATOM 1905 SG CYS B 33 -6.384 8.645 -11.923 1.00 13.84 S ATOM 0 H CYS B 33 -5.545 7.752 -14.909 1.00 9.68 H new ATOM 0 HA CYS B 33 -6.048 10.585 -14.902 1.00 8.10 H new ATOM 0 HB2 CYS B 33 -4.873 10.467 -12.380 1.00 8.88 H new ATOM 0 HB3 CYS B 33 -6.533 10.915 -12.718 1.00 8.88 H new ATOM 0 HG CYS B 33 -5.919 8.667 -10.709 1.00 13.84 H new ATOM 1911 N TYR B 34 -3.422 10.824 -14.659 1.00 7.35 N ATOM 1912 CA TYR B 34 -1.959 10.791 -14.920 1.00 7.08 C ATOM 1913 C TYR B 34 -1.218 11.336 -13.699 1.00 7.71 C ATOM 1914 O TYR B 34 -1.053 12.529 -13.554 1.00 7.80 O ATOM 1915 CB TYR B 34 -1.641 11.681 -16.117 1.00 8.67 C ATOM 1916 CG TYR B 34 -1.780 10.920 -17.419 1.00 9.11 C ATOM 1917 CD1 TYR B 34 -2.554 9.762 -17.498 1.00 12.44 C ATOM 1918 CD2 TYR B 34 -1.126 11.407 -18.559 1.00 13.61 C ATOM 1919 CE1 TYR B 34 -2.673 9.089 -18.722 1.00 16.38 C ATOM 1920 CE2 TYR B 34 -1.242 10.735 -19.775 1.00 17.22 C ATOM 1921 CZ TYR B 34 -2.014 9.578 -19.857 1.00 16.83 C ATOM 1922 OH TYR B 34 -2.133 8.914 -21.060 1.00 21.14 O ATOM 0 H TYR B 34 -3.826 11.755 -14.557 1.00 7.35 H new ATOM 0 HA TYR B 34 -1.649 9.766 -15.122 1.00 7.08 H new ATOM 0 HB2 TYR B 34 -2.311 12.541 -16.122 1.00 8.67 H new ATOM 0 HB3 TYR B 34 -0.626 12.068 -16.026 1.00 8.67 H new ATOM 0 HD1 TYR B 34 -3.059 9.386 -16.621 1.00 12.44 H new ATOM 0 HD2 TYR B 34 -0.530 12.306 -18.495 1.00 13.61 H new ATOM 0 HE1 TYR B 34 -3.273 8.193 -18.790 1.00 16.38 H new ATOM 0 HE2 TYR B 34 -0.735 11.110 -20.651 1.00 17.22 H new ATOM 0 HH TYR B 34 -3.005 8.468 -21.103 1.00 21.14 H new ATOM 1932 N VAL B 35 -0.771 10.483 -12.818 1.00 9.44 N ATOM 1933 CA VAL B 35 -0.049 10.984 -11.613 1.00 10.66 C ATOM 1934 C VAL B 35 1.429 11.199 -11.933 1.00 10.57 C ATOM 1935 O VAL B 35 2.158 10.271 -12.221 1.00 8.31 O ATOM 1936 CB VAL B 35 -0.184 9.988 -10.463 1.00 10.22 C ATOM 1937 CG1 VAL B 35 0.657 10.475 -9.280 1.00 7.97 C ATOM 1938 CG2 VAL B 35 -1.653 9.900 -10.043 1.00 9.86 C ATOM 0 H VAL B 35 -0.873 9.470 -12.879 1.00 9.44 H new ATOM 0 HA VAL B 35 -0.492 11.935 -11.316 1.00 10.66 H new ATOM 0 HB VAL B 35 0.163 9.005 -10.780 1.00 10.22 H new ATOM 0 HG11 VAL B 35 0.566 9.769 -8.454 1.00 7.97 H new ATOM 0 HG12 VAL B 35 1.702 10.548 -9.582 1.00 7.97 H new ATOM 0 HG13 VAL B 35 0.302 11.455 -8.961 1.00 7.97 H new ATOM 0 HG21 VAL B 35 -1.755 9.190 -9.222 1.00 9.86 H new ATOM 0 HG22 VAL B 35 -1.998 10.882 -9.719 1.00 9.86 H new ATOM 0 HG23 VAL B 35 -2.254 9.565 -10.889 1.00 9.86 H new ATOM 1948 N ASP B 36 1.877 12.423 -11.877 1.00 8.58 N ATOM 1949 CA ASP B 36 3.303 12.708 -12.163 1.00 11.48 C ATOM 1950 C ASP B 36 4.163 12.066 -11.075 1.00 12.38 C ATOM 1951 O ASP B 36 5.331 11.796 -11.266 1.00 11.89 O ATOM 1952 CB ASP B 36 3.531 14.221 -12.168 1.00 16.17 C ATOM 1953 CG ASP B 36 4.442 14.598 -13.337 1.00 17.97 C ATOM 1954 OD1 ASP B 36 5.454 13.939 -13.510 1.00 15.67 O ATOM 1955 OD2 ASP B 36 4.113 15.540 -14.039 1.00 25.89 O ATOM 0 H ASP B 36 1.311 13.239 -11.644 1.00 8.58 H new ATOM 0 HA ASP B 36 3.574 12.301 -13.137 1.00 11.48 H new ATOM 0 HB2 ASP B 36 2.578 14.742 -12.254 1.00 16.17 H new ATOM 0 HB3 ASP B 36 3.982 14.534 -11.226 1.00 16.17 H new ATOM 1960 N LEU B 37 3.587 11.821 -9.930 1.00 13.17 N ATOM 1961 CA LEU B 37 4.359 11.196 -8.820 1.00 18.47 C ATOM 1962 C LEU B 37 5.739 11.848 -8.726 1.00 21.14 C ATOM 1963 O LEU B 37 6.690 11.248 -8.265 1.00 24.24 O ATOM 1964 CB LEU B 37 4.521 9.701 -9.090 1.00 15.81 C ATOM 1965 CG LEU B 37 5.207 9.042 -7.894 1.00 20.59 C ATOM 1966 CD1 LEU B 37 4.210 8.137 -7.169 1.00 14.72 C ATOM 1967 CD2 LEU B 37 6.394 8.208 -8.385 1.00 20.01 C ATOM 0 H LEU B 37 2.612 12.028 -9.715 1.00 13.17 H new ATOM 0 HA LEU B 37 3.824 11.341 -7.881 1.00 18.47 H new ATOM 0 HB2 LEU B 37 3.547 9.243 -9.262 1.00 15.81 H new ATOM 0 HB3 LEU B 37 5.111 9.545 -9.993 1.00 15.81 H new ATOM 0 HG LEU B 37 5.562 9.811 -7.208 1.00 20.59 H new ATOM 0 HD11 LEU B 37 4.699 7.667 -6.316 1.00 14.72 H new ATOM 0 HD12 LEU B 37 3.365 8.732 -6.821 1.00 14.72 H new ATOM 0 HD13 LEU B 37 3.854 7.367 -7.853 1.00 14.72 H new ATOM 0 HD21 LEU B 37 6.885 7.737 -7.533 1.00 20.01 H new ATOM 0 HD22 LEU B 37 6.039 7.438 -9.071 1.00 20.01 H new ATOM 0 HD23 LEU B 37 7.104 8.854 -8.901 1.00 20.01 H new ATOM 1979 N GLY B 38 5.855 13.074 -9.153 1.00 20.70 N ATOM 1980 CA GLY B 38 7.171 13.764 -9.083 1.00 23.91 C ATOM 1981 C GLY B 38 8.216 12.974 -9.878 1.00 26.50 C ATOM 1982 O GLY B 38 9.402 13.095 -9.645 1.00 31.02 O ATOM 0 H GLY B 38 5.095 13.628 -9.547 1.00 20.70 H new ATOM 0 HA2 GLY B 38 7.084 14.774 -9.483 1.00 23.91 H new ATOM 0 HA3 GLY B 38 7.487 13.859 -8.044 1.00 23.91 H new ATOM 1986 N ASN B 39 7.792 12.164 -10.814 1.00 27.64 N ATOM 1987 CA ASN B 39 8.770 11.375 -11.610 1.00 30.27 C ATOM 1988 C ASN B 39 8.989 12.034 -12.974 1.00 26.79 C ATOM 1989 O ASN B 39 9.318 11.382 -13.945 1.00 26.87 O ATOM 1990 CB ASN B 39 8.254 9.947 -11.804 1.00 35.62 C ATOM 1991 CG ASN B 39 6.815 9.982 -12.316 1.00 41.31 C ATOM 1992 OD1 ASN B 39 6.449 10.854 -13.079 1.00 43.23 O ATOM 1993 ND2 ASN B 39 5.978 9.060 -11.926 1.00 39.63 N ATOM 0 H ASN B 39 6.813 12.017 -11.059 1.00 27.64 H new ATOM 0 HA ASN B 39 9.718 11.344 -11.073 1.00 30.27 H new ATOM 0 HB2 ASN B 39 8.889 9.414 -12.512 1.00 35.62 H new ATOM 0 HB3 ASN B 39 8.301 9.402 -10.861 1.00 35.62 H new ATOM 0 HD21 ASN B 39 5.015 9.071 -12.262 1.00 39.63 H new ATOM 0 HD22 ASN B 39 6.287 8.329 -11.286 1.00 39.63 H new ATOM 2000 N GLU B 40 8.813 13.323 -13.052 1.00 25.15 N ATOM 2001 CA GLU B 40 9.012 14.033 -14.348 1.00 23.81 C ATOM 2002 C GLU B 40 8.282 13.290 -15.462 1.00 21.12 C ATOM 2003 O GLU B 40 8.904 12.678 -16.301 1.00 19.86 O ATOM 2004 CB GLU B 40 10.502 14.096 -14.688 1.00 27.22 C ATOM 2005 CG GLU B 40 11.310 14.339 -13.412 1.00 34.87 C ATOM 2006 CD GLU B 40 12.802 14.197 -13.718 1.00 38.97 C ATOM 2007 OE1 GLU B 40 13.195 13.135 -14.172 1.00 39.54 O ATOM 2008 OE2 GLU B 40 13.526 15.153 -13.494 1.00 42.34 O ATOM 0 H GLU B 40 8.539 13.919 -12.271 1.00 25.15 H new ATOM 0 HA GLU B 40 8.615 15.044 -14.256 1.00 23.81 H new ATOM 0 HB2 GLU B 40 10.818 13.165 -15.158 1.00 27.22 H new ATOM 0 HB3 GLU B 40 10.688 14.895 -15.406 1.00 27.22 H new ATOM 0 HG2 GLU B 40 11.101 15.335 -13.021 1.00 34.87 H new ATOM 0 HG3 GLU B 40 11.016 13.626 -12.642 1.00 34.87 H new ATOM 2015 N HIS B 41 6.971 13.360 -15.462 1.00 4.82 N ATOM 2016 CA HIS B 41 6.131 12.684 -16.509 1.00 4.41 C ATOM 2017 C HIS B 41 4.864 12.147 -15.845 1.00 3.39 C ATOM 2018 O HIS B 41 4.901 11.710 -14.713 1.00 2.52 O ATOM 2019 CB HIS B 41 6.877 11.517 -17.167 1.00 4.81 C ATOM 2020 CG HIS B 41 7.631 12.019 -18.370 1.00 4.35 C ATOM 2021 ND1 HIS B 41 8.086 13.325 -18.458 1.00 4.61 N ATOM 2022 CD2 HIS B 41 8.042 11.400 -19.524 1.00 5.15 C ATOM 2023 CE1 HIS B 41 8.741 13.450 -19.624 1.00 5.81 C ATOM 2024 NE2 HIS B 41 8.743 12.306 -20.316 1.00 6.56 N ATOM 0 H HIS B 41 6.433 13.871 -14.762 1.00 4.82 H new ATOM 0 HA HIS B 41 5.893 13.414 -17.283 1.00 4.41 H new ATOM 0 HB2 HIS B 41 7.567 11.064 -16.455 1.00 4.81 H new ATOM 0 HB3 HIS B 41 6.171 10.741 -17.464 1.00 4.81 H new ATOM 0 HD2 HIS B 41 7.851 10.368 -19.779 1.00 5.15 H new ATOM 0 HE1 HIS B 41 9.209 14.363 -19.961 1.00 5.81 H new ATOM 0 HE2 HIS B 41 9.167 12.134 -21.228 1.00 6.56 H new ATOM 2032 N PRO B 42 3.775 12.197 -16.566 1.00 15.11 N ATOM 2033 CA PRO B 42 2.480 11.721 -16.063 1.00 16.08 C ATOM 2034 C PRO B 42 2.389 10.204 -16.157 1.00 17.92 C ATOM 2035 O PRO B 42 2.851 9.600 -17.105 1.00 17.13 O ATOM 2036 CB PRO B 42 1.467 12.346 -17.013 1.00 16.41 C ATOM 2037 CG PRO B 42 2.230 12.661 -18.318 1.00 13.79 C ATOM 2038 CD PRO B 42 3.727 12.730 -17.944 1.00 16.28 C ATOM 0 HA PRO B 42 2.321 11.987 -15.018 1.00 16.08 H new ATOM 0 HB2 PRO B 42 0.639 11.663 -17.202 1.00 16.41 H new ATOM 0 HB3 PRO B 42 1.040 13.253 -16.584 1.00 16.41 H new ATOM 0 HG2 PRO B 42 2.052 11.890 -19.067 1.00 13.79 H new ATOM 0 HG3 PRO B 42 1.893 13.605 -18.746 1.00 13.79 H new ATOM 0 HD2 PRO B 42 4.336 12.135 -18.624 1.00 16.28 H new ATOM 0 HD3 PRO B 42 4.104 13.752 -17.990 1.00 16.28 H new ATOM 2046 N VAL B 43 1.772 9.587 -15.199 1.00 16.29 N ATOM 2047 CA VAL B 43 1.623 8.118 -15.251 1.00 14.28 C ATOM 2048 C VAL B 43 0.140 7.784 -15.233 1.00 9.00 C ATOM 2049 O VAL B 43 -0.572 8.110 -14.304 1.00 7.99 O ATOM 2050 CB VAL B 43 2.308 7.483 -14.047 1.00 17.96 C ATOM 2051 CG1 VAL B 43 3.735 8.020 -13.924 1.00 18.07 C ATOM 2052 CG2 VAL B 43 1.519 7.823 -12.780 1.00 20.57 C ATOM 0 H VAL B 43 1.364 10.039 -14.381 1.00 16.29 H new ATOM 0 HA VAL B 43 2.084 7.730 -16.159 1.00 14.28 H new ATOM 0 HB VAL B 43 2.343 6.401 -14.176 1.00 17.96 H new ATOM 0 HG11 VAL B 43 4.222 7.564 -13.062 1.00 18.07 H new ATOM 0 HG12 VAL B 43 4.294 7.777 -14.828 1.00 18.07 H new ATOM 0 HG13 VAL B 43 3.707 9.102 -13.795 1.00 18.07 H new ATOM 0 HG21 VAL B 43 2.006 7.371 -11.916 1.00 20.57 H new ATOM 0 HG22 VAL B 43 1.485 8.905 -12.652 1.00 20.57 H new ATOM 0 HG23 VAL B 43 0.504 7.436 -12.869 1.00 20.57 H new ATOM 2062 N LEU B 44 -0.335 7.144 -16.257 1.00 10.19 N ATOM 2063 CA LEU B 44 -1.771 6.800 -16.305 1.00 11.55 C ATOM 2064 C LEU B 44 -2.082 5.779 -15.213 1.00 10.61 C ATOM 2065 O LEU B 44 -1.625 4.654 -15.243 1.00 13.49 O ATOM 2066 CB LEU B 44 -2.093 6.230 -17.677 1.00 10.60 C ATOM 2067 CG LEU B 44 -3.561 5.822 -17.733 1.00 13.48 C ATOM 2068 CD1 LEU B 44 -4.439 6.951 -17.189 1.00 15.65 C ATOM 2069 CD2 LEU B 44 -3.947 5.529 -19.185 1.00 20.21 C ATOM 0 H LEU B 44 0.212 6.844 -17.064 1.00 10.19 H new ATOM 0 HA LEU B 44 -2.380 7.688 -16.135 1.00 11.55 H new ATOM 0 HB2 LEU B 44 -1.882 6.971 -18.448 1.00 10.60 H new ATOM 0 HB3 LEU B 44 -1.458 5.368 -17.881 1.00 10.60 H new ATOM 0 HG LEU B 44 -3.711 4.931 -17.124 1.00 13.48 H new ATOM 0 HD11 LEU B 44 -5.486 6.651 -17.233 1.00 15.65 H new ATOM 0 HD12 LEU B 44 -4.164 7.160 -16.155 1.00 15.65 H new ATOM 0 HD13 LEU B 44 -4.293 7.848 -17.791 1.00 15.65 H new ATOM 0 HD21 LEU B 44 -4.996 5.237 -19.231 1.00 20.21 H new ATOM 0 HD22 LEU B 44 -3.793 6.422 -19.790 1.00 20.21 H new ATOM 0 HD23 LEU B 44 -3.328 4.719 -19.570 1.00 20.21 H new ATOM 2081 N VAL B 45 -2.850 6.177 -14.239 1.00 10.81 N ATOM 2082 CA VAL B 45 -3.191 5.254 -13.123 1.00 9.29 C ATOM 2083 C VAL B 45 -4.704 5.057 -13.067 1.00 9.95 C ATOM 2084 O VAL B 45 -5.458 5.757 -13.712 1.00 9.36 O ATOM 2085 CB VAL B 45 -2.685 5.856 -11.813 1.00 4.64 C ATOM 2086 CG1 VAL B 45 -3.467 5.294 -10.617 1.00 7.95 C ATOM 2087 CG2 VAL B 45 -1.203 5.516 -11.652 1.00 10.20 C ATOM 0 H VAL B 45 -3.259 7.109 -14.168 1.00 10.81 H new ATOM 0 HA VAL B 45 -2.719 4.284 -13.281 1.00 9.29 H new ATOM 0 HB VAL B 45 -2.827 6.936 -11.842 1.00 4.64 H new ATOM 0 HG11 VAL B 45 -3.090 5.737 -9.695 1.00 7.95 H new ATOM 0 HG12 VAL B 45 -4.524 5.534 -10.728 1.00 7.95 H new ATOM 0 HG13 VAL B 45 -3.343 4.212 -10.577 1.00 7.95 H new ATOM 0 HG21 VAL B 45 -0.831 5.941 -10.720 1.00 10.20 H new ATOM 0 HG22 VAL B 45 -1.078 4.433 -11.632 1.00 10.20 H new ATOM 0 HG23 VAL B 45 -0.642 5.931 -12.489 1.00 10.20 H new ATOM 2097 N LYS B 46 -5.151 4.103 -12.300 1.00 10.76 N ATOM 2098 CA LYS B 46 -6.612 3.857 -12.205 1.00 12.81 C ATOM 2099 C LYS B 46 -7.209 4.682 -11.061 1.00 13.35 C ATOM 2100 O LYS B 46 -6.558 4.959 -10.074 1.00 12.90 O ATOM 2101 CB LYS B 46 -6.864 2.368 -11.950 1.00 17.04 C ATOM 2102 CG LYS B 46 -8.119 1.920 -12.702 1.00 26.60 C ATOM 2103 CD LYS B 46 -7.972 0.453 -13.111 1.00 33.77 C ATOM 2104 CE LYS B 46 -7.906 0.350 -14.636 1.00 34.48 C ATOM 2105 NZ LYS B 46 -8.405 -0.987 -15.064 1.00 36.74 N ATOM 0 H LYS B 46 -4.567 3.485 -11.736 1.00 10.76 H new ATOM 0 HA LYS B 46 -7.086 4.152 -13.141 1.00 12.81 H new ATOM 0 HB2 LYS B 46 -6.004 1.783 -12.277 1.00 17.04 H new ATOM 0 HB3 LYS B 46 -6.985 2.188 -10.882 1.00 17.04 H new ATOM 0 HG2 LYS B 46 -8.999 2.046 -12.071 1.00 26.60 H new ATOM 0 HG3 LYS B 46 -8.268 2.542 -13.585 1.00 26.60 H new ATOM 0 HD2 LYS B 46 -7.070 0.030 -12.668 1.00 33.77 H new ATOM 0 HD3 LYS B 46 -8.814 -0.127 -12.733 1.00 33.77 H new ATOM 0 HE2 LYS B 46 -8.507 1.137 -15.091 1.00 34.48 H new ATOM 0 HE3 LYS B 46 -6.881 0.494 -14.977 1.00 34.48 H new ATOM 0 HZ1 LYS B 46 -8.361 -1.059 -16.101 1.00 36.74 H new ATOM 0 HZ2 LYS B 46 -7.814 -1.730 -14.640 1.00 36.74 H new ATOM 0 HZ3 LYS B 46 -9.389 -1.107 -14.750 1.00 36.74 H new ATOM 2119 N ILE B 47 -8.449 5.070 -11.190 1.00 13.96 N ATOM 2120 CA ILE B 47 -9.106 5.870 -10.122 1.00 16.93 C ATOM 2121 C ILE B 47 -10.455 5.227 -9.781 1.00 16.52 C ATOM 2122 O ILE B 47 -10.866 4.261 -10.393 1.00 17.67 O ATOM 2123 CB ILE B 47 -9.308 7.315 -10.622 1.00 19.74 C ATOM 2124 CG1 ILE B 47 -9.198 8.294 -9.450 1.00 19.39 C ATOM 2125 CG2 ILE B 47 -10.683 7.471 -11.274 1.00 18.08 C ATOM 2126 CD1 ILE B 47 -8.616 9.619 -9.947 1.00 18.26 C ATOM 0 H ILE B 47 -9.038 4.864 -11.997 1.00 13.96 H new ATOM 0 HA ILE B 47 -8.484 5.892 -9.227 1.00 16.93 H new ATOM 0 HB ILE B 47 -8.535 7.532 -11.359 1.00 19.74 H new ATOM 0 HG12 ILE B 47 -10.180 8.459 -9.006 1.00 19.39 H new ATOM 0 HG13 ILE B 47 -8.562 7.875 -8.670 1.00 19.39 H new ATOM 0 HG21 ILE B 47 -10.807 8.497 -11.620 1.00 18.08 H new ATOM 0 HG22 ILE B 47 -10.763 6.790 -12.121 1.00 18.08 H new ATOM 0 HG23 ILE B 47 -11.460 7.238 -10.546 1.00 18.08 H new ATOM 0 HD11 ILE B 47 -8.537 10.317 -9.114 1.00 18.26 H new ATOM 0 HD12 ILE B 47 -7.627 9.446 -10.370 1.00 18.26 H new ATOM 0 HD13 ILE B 47 -9.269 10.039 -10.712 1.00 18.26 H new ATOM 2138 N THR B 48 -11.148 5.760 -8.818 1.00 16.86 N ATOM 2139 CA THR B 48 -12.469 5.188 -8.449 1.00 16.59 C ATOM 2140 C THR B 48 -13.526 6.293 -8.499 1.00 19.04 C ATOM 2141 O THR B 48 -13.316 7.386 -8.012 1.00 22.56 O ATOM 2142 CB THR B 48 -12.393 4.614 -7.035 1.00 16.30 C ATOM 2143 OG1 THR B 48 -11.059 4.717 -6.556 1.00 17.90 O ATOM 2144 CG2 THR B 48 -12.819 3.146 -7.054 1.00 16.02 C ATOM 0 H THR B 48 -10.856 6.569 -8.269 1.00 16.86 H new ATOM 0 HA THR B 48 -12.738 4.395 -9.147 1.00 16.59 H new ATOM 0 HB THR B 48 -13.060 5.173 -6.379 1.00 16.30 H new ATOM 0 HG1 THR B 48 -11.062 5.130 -5.667 1.00 17.90 H new ATOM 0 HG21 THR B 48 -12.764 2.738 -6.045 1.00 16.02 H new ATOM 0 HG22 THR B 48 -13.842 3.069 -7.421 1.00 16.02 H new ATOM 0 HG23 THR B 48 -12.155 2.583 -7.709 1.00 16.02 H new ATOM 2152 N LEU B 49 -14.661 6.020 -9.081 1.00 18.35 N ATOM 2153 CA LEU B 49 -15.724 7.058 -9.157 1.00 18.82 C ATOM 2154 C LEU B 49 -16.815 6.731 -8.136 1.00 20.06 C ATOM 2155 O LEU B 49 -17.658 5.888 -8.359 1.00 18.35 O ATOM 2156 CB LEU B 49 -16.314 7.087 -10.576 1.00 18.79 C ATOM 2157 CG LEU B 49 -16.085 8.464 -11.192 1.00 18.24 C ATOM 2158 CD1 LEU B 49 -16.529 9.546 -10.204 1.00 20.41 C ATOM 2159 CD2 LEU B 49 -14.597 8.638 -11.508 1.00 14.50 C ATOM 0 H LEU B 49 -14.897 5.124 -9.507 1.00 18.35 H new ATOM 0 HA LEU B 49 -15.304 8.038 -8.932 1.00 18.82 H new ATOM 0 HB2 LEU B 49 -15.847 6.319 -11.192 1.00 18.79 H new ATOM 0 HB3 LEU B 49 -17.380 6.864 -10.543 1.00 18.79 H new ATOM 0 HG LEU B 49 -16.665 8.554 -12.111 1.00 18.24 H new ATOM 0 HD11 LEU B 49 -16.365 10.530 -10.644 1.00 20.41 H new ATOM 0 HD12 LEU B 49 -17.588 9.421 -9.979 1.00 20.41 H new ATOM 0 HD13 LEU B 49 -15.950 9.459 -9.285 1.00 20.41 H new ATOM 0 HD21 LEU B 49 -14.431 9.621 -11.948 1.00 14.50 H new ATOM 0 HD22 LEU B 49 -14.017 8.549 -10.589 1.00 14.50 H new ATOM 0 HD23 LEU B 49 -14.282 7.868 -12.212 1.00 14.50 H new ATOM 2171 N ASP B 50 -16.798 7.387 -7.007 1.00 22.62 N ATOM 2172 CA ASP B 50 -17.829 7.108 -5.968 1.00 27.04 C ATOM 2173 C ASP B 50 -19.198 7.572 -6.465 1.00 27.73 C ATOM 2174 O ASP B 50 -19.301 8.431 -7.318 1.00 26.65 O ATOM 2175 CB ASP B 50 -17.473 7.858 -4.683 1.00 29.11 C ATOM 2176 CG ASP B 50 -16.063 7.467 -4.236 1.00 30.37 C ATOM 2177 OD1 ASP B 50 -15.118 7.968 -4.823 1.00 30.76 O ATOM 2178 OD2 ASP B 50 -15.952 6.674 -3.316 1.00 33.99 O ATOM 0 H ASP B 50 -16.115 8.103 -6.760 1.00 22.62 H new ATOM 0 HA ASP B 50 -17.861 6.037 -5.769 1.00 27.04 H new ATOM 0 HB2 ASP B 50 -17.527 8.934 -4.851 1.00 29.11 H new ATOM 0 HB3 ASP B 50 -18.193 7.621 -3.900 1.00 29.11 H new ATOM 2183 N GLU B 51 -20.251 7.011 -5.937 1.00 31.16 N ATOM 2184 CA GLU B 51 -21.612 7.423 -6.379 1.00 34.22 C ATOM 2185 C GLU B 51 -21.787 8.924 -6.140 1.00 34.98 C ATOM 2186 O GLU B 51 -21.407 9.447 -5.111 1.00 34.19 O ATOM 2187 CB GLU B 51 -22.665 6.647 -5.584 1.00 38.24 C ATOM 2188 CG GLU B 51 -22.731 7.192 -4.158 1.00 46.84 C ATOM 2189 CD GLU B 51 -23.696 6.342 -3.329 1.00 51.38 C ATOM 2190 OE1 GLU B 51 -24.892 6.480 -3.523 1.00 54.92 O ATOM 2191 OE2 GLU B 51 -23.222 5.567 -2.514 1.00 53.83 O ATOM 0 H GLU B 51 -20.227 6.286 -5.220 1.00 31.16 H new ATOM 0 HA GLU B 51 -21.734 7.207 -7.441 1.00 34.22 H new ATOM 0 HB2 GLU B 51 -23.639 6.738 -6.065 1.00 38.24 H new ATOM 0 HB3 GLU B 51 -22.415 5.586 -5.568 1.00 38.24 H new ATOM 0 HG2 GLU B 51 -21.739 7.179 -3.707 1.00 46.84 H new ATOM 0 HG3 GLU B 51 -23.063 8.230 -4.169 1.00 46.84 H new ATOM 2198 N GLY B 52 -22.357 9.621 -7.082 1.00 34.53 N ATOM 2199 CA GLY B 52 -22.551 11.088 -6.908 1.00 34.93 C ATOM 2200 C GLY B 52 -21.326 11.829 -7.444 1.00 36.10 C ATOM 2201 O GLY B 52 -21.430 12.910 -7.989 1.00 35.97 O ATOM 0 H GLY B 52 -22.697 9.239 -7.965 1.00 34.53 H new ATOM 0 HA2 GLY B 52 -23.447 11.413 -7.437 1.00 34.93 H new ATOM 0 HA3 GLY B 52 -22.700 11.324 -5.854 1.00 34.93 H new ATOM 2205 N GLN B 53 -20.163 11.254 -7.297 1.00 36.52 N ATOM 2206 CA GLN B 53 -18.933 11.924 -7.801 1.00 35.40 C ATOM 2207 C GLN B 53 -18.847 11.743 -9.322 1.00 31.02 C ATOM 2208 O GLN B 53 -18.868 10.628 -9.806 1.00 29.05 O ATOM 2209 CB GLN B 53 -17.704 11.289 -7.147 1.00 41.20 C ATOM 2210 CG GLN B 53 -17.067 12.286 -6.178 1.00 47.61 C ATOM 2211 CD GLN B 53 -15.827 11.657 -5.541 1.00 53.32 C ATOM 2212 OE1 GLN B 53 -15.662 10.453 -5.566 1.00 53.91 O ATOM 2213 NE2 GLN B 53 -14.942 12.425 -4.967 1.00 54.76 N ATOM 0 H GLN B 53 -20.013 10.350 -6.850 1.00 36.52 H new ATOM 0 HA GLN B 53 -18.969 12.986 -7.557 1.00 35.40 H new ATOM 0 HB2 GLN B 53 -17.990 10.382 -6.615 1.00 41.20 H new ATOM 0 HB3 GLN B 53 -16.983 10.997 -7.911 1.00 41.20 H new ATOM 0 HG2 GLN B 53 -16.794 13.199 -6.707 1.00 47.61 H new ATOM 0 HG3 GLN B 53 -17.783 12.567 -5.406 1.00 47.61 H new ATOM 0 HE21 GLN B 53 -15.080 13.435 -4.946 1.00 54.76 H new ATOM 0 HE22 GLN B 53 -14.112 12.015 -4.539 1.00 54.76 H new ATOM 2222 N PRO B 54 -18.754 12.838 -10.036 1.00 27.43 N ATOM 2223 CA PRO B 54 -18.665 12.815 -11.505 1.00 23.44 C ATOM 2224 C PRO B 54 -17.244 12.459 -11.950 1.00 20.14 C ATOM 2225 O PRO B 54 -16.277 12.933 -11.389 1.00 21.64 O ATOM 2226 CB PRO B 54 -19.019 14.244 -11.913 1.00 24.39 C ATOM 2227 CG PRO B 54 -18.736 15.128 -10.680 1.00 27.18 C ATOM 2228 CD PRO B 54 -18.730 14.195 -9.455 1.00 28.37 C ATOM 0 HA PRO B 54 -19.322 12.073 -11.960 1.00 23.44 H new ATOM 0 HB2 PRO B 54 -18.422 14.564 -12.767 1.00 24.39 H new ATOM 0 HB3 PRO B 54 -20.065 14.316 -12.211 1.00 24.39 H new ATOM 0 HG2 PRO B 54 -17.778 15.638 -10.782 1.00 27.18 H new ATOM 0 HG3 PRO B 54 -19.499 15.900 -10.574 1.00 27.18 H new ATOM 0 HD2 PRO B 54 -17.843 14.350 -8.840 1.00 28.37 H new ATOM 0 HD3 PRO B 54 -19.595 14.370 -8.816 1.00 28.37 H new ATOM 2236 N ALA B 55 -17.119 11.626 -12.952 1.00 17.21 N ATOM 2237 CA ALA B 55 -15.773 11.228 -13.450 1.00 15.58 C ATOM 2238 C ALA B 55 -14.797 12.406 -13.357 1.00 16.41 C ATOM 2239 O ALA B 55 -15.132 13.532 -13.670 1.00 13.65 O ATOM 2240 CB ALA B 55 -15.907 10.790 -14.905 1.00 13.98 C ATOM 0 H ALA B 55 -17.902 11.202 -13.449 1.00 17.21 H new ATOM 0 HA ALA B 55 -15.386 10.411 -12.841 1.00 15.58 H new ATOM 0 HB1 ALA B 55 -14.930 10.494 -15.287 1.00 13.98 H new ATOM 0 HB2 ALA B 55 -16.592 9.945 -14.969 1.00 13.98 H new ATOM 0 HB3 ALA B 55 -16.294 11.617 -15.500 1.00 13.98 H new ATOM 2246 N TYR B 56 -13.590 12.152 -12.927 1.00 15.93 N ATOM 2247 CA TYR B 56 -12.587 13.250 -12.809 1.00 14.61 C ATOM 2248 C TYR B 56 -12.518 14.024 -14.126 1.00 15.51 C ATOM 2249 O TYR B 56 -12.035 13.530 -15.124 1.00 17.19 O ATOM 2250 CB TYR B 56 -11.211 12.655 -12.490 1.00 12.92 C ATOM 2251 CG TYR B 56 -11.282 11.901 -11.178 1.00 11.75 C ATOM 2252 CD1 TYR B 56 -11.712 10.570 -11.163 1.00 12.42 C ATOM 2253 CD2 TYR B 56 -10.926 12.536 -9.984 1.00 7.14 C ATOM 2254 CE1 TYR B 56 -11.785 9.873 -9.952 1.00 11.47 C ATOM 2255 CE2 TYR B 56 -10.999 11.838 -8.774 1.00 7.90 C ATOM 2256 CZ TYR B 56 -11.427 10.507 -8.758 1.00 10.29 C ATOM 2257 OH TYR B 56 -11.499 9.819 -7.564 1.00 12.03 O ATOM 0 H TYR B 56 -13.255 11.229 -12.652 1.00 15.93 H new ATOM 0 HA TYR B 56 -12.883 13.927 -12.007 1.00 14.61 H new ATOM 0 HB2 TYR B 56 -10.897 11.985 -13.291 1.00 12.92 H new ATOM 0 HB3 TYR B 56 -10.465 13.448 -12.427 1.00 12.92 H new ATOM 0 HD1 TYR B 56 -11.987 10.081 -12.086 1.00 12.42 H new ATOM 0 HD2 TYR B 56 -10.595 13.564 -9.996 1.00 7.14 H new ATOM 0 HE1 TYR B 56 -12.118 8.846 -9.939 1.00 11.47 H new ATOM 0 HE2 TYR B 56 -10.725 12.328 -7.851 1.00 7.90 H new ATOM 0 HH TYR B 56 -12.072 9.032 -7.674 1.00 12.03 H new ATOM 2267 N ALA B 57 -12.998 15.238 -14.136 1.00 13.38 N ATOM 2268 CA ALA B 57 -12.957 16.044 -15.388 1.00 14.95 C ATOM 2269 C ALA B 57 -11.502 16.208 -15.836 1.00 15.46 C ATOM 2270 O ALA B 57 -10.593 15.805 -15.138 1.00 17.82 O ATOM 2271 CB ALA B 57 -13.570 17.422 -15.127 1.00 14.98 C ATOM 0 H ALA B 57 -13.416 15.706 -13.332 1.00 13.38 H new ATOM 0 HA ALA B 57 -13.524 15.537 -16.169 1.00 14.95 H new ATOM 0 HB1 ALA B 57 -13.540 18.013 -16.043 1.00 14.98 H new ATOM 0 HB2 ALA B 57 -14.604 17.305 -14.804 1.00 14.98 H new ATOM 0 HB3 ALA B 57 -13.002 17.931 -14.348 1.00 14.98 H new ATOM 2277 N PRO B 58 -11.327 16.798 -16.990 1.00 15.20 N ATOM 2278 CA PRO B 58 -9.991 17.034 -17.565 1.00 16.55 C ATOM 2279 C PRO B 58 -9.321 18.225 -16.874 1.00 16.75 C ATOM 2280 O PRO B 58 -9.720 19.359 -17.046 1.00 17.28 O ATOM 2281 CB PRO B 58 -10.283 17.344 -19.036 1.00 15.65 C ATOM 2282 CG PRO B 58 -11.754 17.820 -19.098 1.00 14.16 C ATOM 2283 CD PRO B 58 -12.442 17.286 -17.827 1.00 13.96 C ATOM 0 HA PRO B 58 -9.312 16.190 -17.442 1.00 16.55 H new ATOM 0 HB2 PRO B 58 -9.609 18.114 -19.412 1.00 15.65 H new ATOM 0 HB3 PRO B 58 -10.134 16.460 -19.656 1.00 15.65 H new ATOM 0 HG2 PRO B 58 -11.808 18.908 -19.140 1.00 14.16 H new ATOM 0 HG3 PRO B 58 -12.247 17.441 -19.994 1.00 14.16 H new ATOM 0 HD2 PRO B 58 -13.007 18.069 -17.321 1.00 13.96 H new ATOM 0 HD3 PRO B 58 -13.145 16.486 -18.060 1.00 13.96 H new ATOM 2291 N GLY B 59 -8.309 17.975 -16.089 1.00 17.22 N ATOM 2292 CA GLY B 59 -7.623 19.094 -15.386 1.00 15.08 C ATOM 2293 C GLY B 59 -6.464 18.549 -14.551 1.00 14.96 C ATOM 2294 O GLY B 59 -6.223 17.360 -14.511 1.00 13.79 O ATOM 0 H GLY B 59 -7.929 17.047 -15.905 1.00 17.22 H new ATOM 0 HA2 GLY B 59 -7.252 19.818 -16.111 1.00 15.08 H new ATOM 0 HA3 GLY B 59 -8.330 19.620 -14.744 1.00 15.08 H new ATOM 2298 N LEU B 60 -5.749 19.409 -13.875 1.00 15.83 N ATOM 2299 CA LEU B 60 -4.616 18.940 -13.029 1.00 14.53 C ATOM 2300 C LEU B 60 -5.188 18.304 -11.763 1.00 14.15 C ATOM 2301 O LEU B 60 -6.188 18.754 -11.241 1.00 13.27 O ATOM 2302 CB LEU B 60 -3.743 20.137 -12.642 1.00 15.84 C ATOM 2303 CG LEU B 60 -2.278 19.822 -12.935 1.00 16.91 C ATOM 2304 CD1 LEU B 60 -1.471 21.122 -12.960 1.00 19.57 C ATOM 2305 CD2 LEU B 60 -1.728 18.899 -11.844 1.00 15.01 C ATOM 0 H LEU B 60 -5.902 20.417 -13.873 1.00 15.83 H new ATOM 0 HA LEU B 60 -4.014 18.215 -13.576 1.00 14.53 H new ATOM 0 HB2 LEU B 60 -4.053 21.021 -13.199 1.00 15.84 H new ATOM 0 HB3 LEU B 60 -3.871 20.366 -11.584 1.00 15.84 H new ATOM 0 HG LEU B 60 -2.198 19.328 -13.903 1.00 16.91 H new ATOM 0 HD11 LEU B 60 -0.425 20.897 -13.169 1.00 19.57 H new ATOM 0 HD12 LEU B 60 -1.863 21.779 -13.736 1.00 19.57 H new ATOM 0 HD13 LEU B 60 -1.549 21.617 -11.992 1.00 19.57 H new ATOM 0 HD21 LEU B 60 -0.682 18.673 -12.052 1.00 15.01 H new ATOM 0 HD22 LEU B 60 -1.807 19.393 -10.876 1.00 15.01 H new ATOM 0 HD23 LEU B 60 -2.303 17.973 -11.827 1.00 15.01 H new ATOM 2317 N TYR B 61 -4.581 17.263 -11.260 1.00 11.12 N ATOM 2318 CA TYR B 61 -5.129 16.629 -10.035 1.00 9.57 C ATOM 2319 C TYR B 61 -4.041 16.389 -9.010 1.00 11.76 C ATOM 2320 O TYR B 61 -2.863 16.405 -9.296 1.00 11.26 O ATOM 2321 CB TYR B 61 -5.780 15.294 -10.383 1.00 9.42 C ATOM 2322 CG TYR B 61 -7.171 15.561 -10.878 1.00 10.29 C ATOM 2323 CD1 TYR B 61 -7.360 16.060 -12.168 1.00 10.68 C ATOM 2324 CD2 TYR B 61 -8.268 15.331 -10.041 1.00 10.26 C ATOM 2325 CE1 TYR B 61 -8.650 16.330 -12.627 1.00 13.03 C ATOM 2326 CE2 TYR B 61 -9.559 15.602 -10.499 1.00 13.99 C ATOM 2327 CZ TYR B 61 -9.748 16.102 -11.791 1.00 11.06 C ATOM 2328 OH TYR B 61 -11.023 16.368 -12.251 1.00 14.61 O ATOM 0 H TYR B 61 -3.739 16.831 -11.641 1.00 11.12 H new ATOM 0 HA TYR B 61 -5.870 17.308 -9.613 1.00 9.57 H new ATOM 0 HB2 TYR B 61 -5.199 14.776 -11.146 1.00 9.42 H new ATOM 0 HB3 TYR B 61 -5.807 14.645 -9.507 1.00 9.42 H new ATOM 0 HD1 TYR B 61 -6.509 16.237 -12.810 1.00 10.68 H new ATOM 0 HD2 TYR B 61 -8.117 14.945 -9.044 1.00 10.26 H new ATOM 0 HE1 TYR B 61 -8.800 16.714 -13.625 1.00 13.03 H new ATOM 0 HE2 TYR B 61 -10.409 15.426 -9.857 1.00 13.99 H new ATOM 0 HH TYR B 61 -11.009 16.442 -13.228 1.00 14.61 H new ATOM 2338 N THR B 62 -4.457 16.136 -7.814 1.00 12.22 N ATOM 2339 CA THR B 62 -3.516 15.846 -6.721 1.00 14.26 C ATOM 2340 C THR B 62 -4.190 14.804 -5.860 1.00 15.40 C ATOM 2341 O THR B 62 -5.265 15.021 -5.337 1.00 16.24 O ATOM 2342 CB THR B 62 -3.245 17.096 -5.901 1.00 15.07 C ATOM 2343 OG1 THR B 62 -4.414 17.447 -5.173 1.00 18.36 O ATOM 2344 CG2 THR B 62 -2.857 18.237 -6.836 1.00 11.61 C ATOM 0 H THR B 62 -5.440 16.118 -7.543 1.00 12.22 H new ATOM 0 HA THR B 62 -2.558 15.498 -7.108 1.00 14.26 H new ATOM 0 HB THR B 62 -2.430 16.908 -5.202 1.00 15.07 H new ATOM 0 HG1 THR B 62 -4.240 18.252 -4.643 1.00 18.36 H new ATOM 0 HG21 THR B 62 -2.662 19.136 -6.251 1.00 11.61 H new ATOM 0 HG22 THR B 62 -1.960 17.963 -7.391 1.00 11.61 H new ATOM 0 HG23 THR B 62 -3.672 18.428 -7.534 1.00 11.61 H new ATOM 2352 N VAL B 63 -3.605 13.667 -5.731 1.00 14.65 N ATOM 2353 CA VAL B 63 -4.269 12.623 -4.928 1.00 15.17 C ATOM 2354 C VAL B 63 -4.625 13.200 -3.564 1.00 14.24 C ATOM 2355 O VAL B 63 -4.182 14.269 -3.194 1.00 19.13 O ATOM 2356 CB VAL B 63 -3.373 11.404 -4.788 1.00 15.23 C ATOM 2357 CG1 VAL B 63 -4.239 10.203 -4.419 1.00 14.85 C ATOM 2358 CG2 VAL B 63 -2.672 11.134 -6.126 1.00 18.64 C ATOM 0 H VAL B 63 -2.706 13.412 -6.140 1.00 14.65 H new ATOM 0 HA VAL B 63 -5.182 12.301 -5.430 1.00 15.17 H new ATOM 0 HB VAL B 63 -2.624 11.576 -4.015 1.00 15.23 H new ATOM 0 HG11 VAL B 63 -3.610 9.319 -4.315 1.00 14.85 H new ATOM 0 HG12 VAL B 63 -4.749 10.398 -3.476 1.00 14.85 H new ATOM 0 HG13 VAL B 63 -4.977 10.032 -5.202 1.00 14.85 H new ATOM 0 HG21 VAL B 63 -2.028 10.260 -6.029 1.00 18.64 H new ATOM 0 HG22 VAL B 63 -3.419 10.951 -6.898 1.00 18.64 H new ATOM 0 HG23 VAL B 63 -2.070 11.999 -6.402 1.00 18.64 H new ATOM 2368 N HIS B 64 -5.440 12.514 -2.825 1.00 13.31 N ATOM 2369 CA HIS B 64 -5.850 13.033 -1.494 1.00 10.78 C ATOM 2370 C HIS B 64 -5.639 11.944 -0.440 1.00 14.19 C ATOM 2371 O HIS B 64 -6.088 10.820 -0.597 1.00 11.59 O ATOM 2372 CB HIS B 64 -7.330 13.428 -1.543 1.00 11.86 C ATOM 2373 CG HIS B 64 -7.619 14.484 -0.510 1.00 13.39 C ATOM 2374 ND1 HIS B 64 -7.022 14.484 0.741 1.00 17.90 N ATOM 2375 CD2 HIS B 64 -8.461 15.569 -0.521 1.00 17.63 C ATOM 2376 CE1 HIS B 64 -7.511 15.529 1.426 1.00 19.32 C ATOM 2377 NE2 HIS B 64 -8.392 16.227 0.704 1.00 20.65 N ATOM 0 H HIS B 64 -5.843 11.613 -3.083 1.00 13.31 H new ATOM 0 HA HIS B 64 -5.250 13.906 -1.235 1.00 10.78 H new ATOM 0 HB2 HIS B 64 -7.582 13.801 -2.536 1.00 11.86 H new ATOM 0 HB3 HIS B 64 -7.954 12.553 -1.364 1.00 11.86 H new ATOM 0 HD2 HIS B 64 -9.082 15.866 -1.353 1.00 17.63 H new ATOM 0 HE1 HIS B 64 -7.227 15.776 2.438 1.00 19.32 H new ATOM 0 HE2 HIS B 64 -8.904 17.062 0.989 1.00 20.65 H new ATOM 2385 N LEU B 65 -4.959 12.269 0.633 1.00 12.93 N ATOM 2386 CA LEU B 65 -4.712 11.263 1.702 1.00 14.44 C ATOM 2387 C LEU B 65 -6.013 10.964 2.455 1.00 12.66 C ATOM 2388 O LEU B 65 -6.038 10.156 3.361 1.00 10.20 O ATOM 2389 CB LEU B 65 -3.646 11.795 2.672 1.00 14.94 C ATOM 2390 CG LEU B 65 -4.279 12.727 3.692 1.00 19.65 C ATOM 2391 CD1 LEU B 65 -4.219 12.076 5.075 1.00 15.75 C ATOM 2392 CD2 LEU B 65 -3.524 14.054 3.717 1.00 19.03 C ATOM 0 H LEU B 65 -4.565 13.193 0.811 1.00 12.93 H new ATOM 0 HA LEU B 65 -4.353 10.338 1.250 1.00 14.44 H new ATOM 0 HB2 LEU B 65 -3.161 10.963 3.182 1.00 14.94 H new ATOM 0 HB3 LEU B 65 -2.871 12.324 2.117 1.00 14.94 H new ATOM 0 HG LEU B 65 -5.318 12.913 3.419 1.00 19.65 H new ATOM 0 HD11 LEU B 65 -4.672 12.741 5.810 1.00 15.75 H new ATOM 0 HD12 LEU B 65 -4.763 11.131 5.056 1.00 15.75 H new ATOM 0 HD13 LEU B 65 -3.179 11.891 5.345 1.00 15.75 H new ATOM 0 HD21 LEU B 65 -3.981 14.719 4.450 1.00 19.03 H new ATOM 0 HD22 LEU B 65 -2.484 13.876 3.988 1.00 19.03 H new ATOM 0 HD23 LEU B 65 -3.567 14.516 2.731 1.00 19.03 H new ATOM 2404 N SER B 66 -7.100 11.590 2.080 1.00 13.51 N ATOM 2405 CA SER B 66 -8.380 11.306 2.775 1.00 10.39 C ATOM 2406 C SER B 66 -8.649 9.807 2.657 1.00 8.56 C ATOM 2407 O SER B 66 -9.444 9.240 3.380 1.00 11.70 O ATOM 2408 CB SER B 66 -9.513 12.086 2.106 1.00 12.88 C ATOM 2409 OG SER B 66 -10.744 11.410 2.328 1.00 14.72 O ATOM 0 H SER B 66 -7.151 12.278 1.329 1.00 13.51 H new ATOM 0 HA SER B 66 -8.322 11.604 3.822 1.00 10.39 H new ATOM 0 HB2 SER B 66 -9.562 13.097 2.510 1.00 12.88 H new ATOM 0 HB3 SER B 66 -9.324 12.179 1.037 1.00 12.88 H new ATOM 0 HG SER B 66 -11.472 11.908 1.902 1.00 14.72 H new ATOM 2415 N SER B 67 -7.981 9.167 1.732 1.00 7.98 N ATOM 2416 CA SER B 67 -8.173 7.709 1.529 1.00 8.20 C ATOM 2417 C SER B 67 -7.092 6.921 2.281 1.00 11.02 C ATOM 2418 O SER B 67 -7.144 5.710 2.362 1.00 11.45 O ATOM 2419 CB SER B 67 -8.071 7.398 0.038 1.00 8.01 C ATOM 2420 OG SER B 67 -9.056 8.146 -0.663 1.00 11.22 O ATOM 0 H SER B 67 -7.305 9.602 1.104 1.00 7.98 H new ATOM 0 HA SER B 67 -9.153 7.421 1.910 1.00 8.20 H new ATOM 0 HB2 SER B 67 -7.076 7.648 -0.331 1.00 8.01 H new ATOM 0 HB3 SER B 67 -8.216 6.331 -0.134 1.00 8.01 H new ATOM 0 HG SER B 67 -9.531 7.558 -1.286 1.00 11.22 H new ATOM 2426 N PHE B 68 -6.102 7.590 2.812 1.00 10.09 N ATOM 2427 CA PHE B 68 -5.016 6.862 3.529 1.00 11.79 C ATOM 2428 C PHE B 68 -5.507 6.448 4.915 1.00 12.69 C ATOM 2429 O PHE B 68 -6.403 7.048 5.473 1.00 14.25 O ATOM 2430 CB PHE B 68 -3.787 7.771 3.656 1.00 10.08 C ATOM 2431 CG PHE B 68 -3.368 8.280 2.291 1.00 11.89 C ATOM 2432 CD1 PHE B 68 -4.065 7.897 1.131 1.00 12.12 C ATOM 2433 CD2 PHE B 68 -2.303 9.182 2.194 1.00 10.16 C ATOM 2434 CE1 PHE B 68 -3.695 8.419 -0.110 1.00 10.35 C ATOM 2435 CE2 PHE B 68 -1.932 9.697 0.949 1.00 9.89 C ATOM 2436 CZ PHE B 68 -2.631 9.317 -0.201 1.00 11.87 C ATOM 0 H PHE B 68 -5.999 8.604 2.780 1.00 10.09 H new ATOM 0 HA PHE B 68 -4.742 5.969 2.967 1.00 11.79 H new ATOM 0 HB2 PHE B 68 -4.014 8.612 4.312 1.00 10.08 H new ATOM 0 HB3 PHE B 68 -2.965 7.221 4.115 1.00 10.08 H new ATOM 0 HD1 PHE B 68 -4.886 7.199 1.200 1.00 12.12 H new ATOM 0 HD2 PHE B 68 -1.767 9.481 3.083 1.00 10.16 H new ATOM 0 HE1 PHE B 68 -4.233 8.127 -1.000 1.00 10.35 H new ATOM 0 HE2 PHE B 68 -1.106 10.388 0.875 1.00 9.89 H new ATOM 0 HZ PHE B 68 -2.347 9.720 -1.162 1.00 11.87 H new ATOM 2446 N LYS B 69 -4.929 5.419 5.470 1.00 12.51 N ATOM 2447 CA LYS B 69 -5.367 4.957 6.817 1.00 15.38 C ATOM 2448 C LYS B 69 -4.143 4.674 7.688 1.00 15.02 C ATOM 2449 O LYS B 69 -3.018 4.697 7.227 1.00 15.36 O ATOM 2450 CB LYS B 69 -6.192 3.677 6.673 1.00 16.04 C ATOM 2451 CG LYS B 69 -5.552 2.773 5.617 1.00 20.35 C ATOM 2452 CD LYS B 69 -5.711 1.308 6.031 1.00 21.35 C ATOM 2453 CE LYS B 69 -4.850 0.424 5.126 1.00 30.24 C ATOM 2454 NZ LYS B 69 -3.688 -0.098 5.899 1.00 32.70 N ATOM 0 H LYS B 69 -4.173 4.878 5.050 1.00 12.51 H new ATOM 0 HA LYS B 69 -5.973 5.733 7.284 1.00 15.38 H new ATOM 0 HB2 LYS B 69 -6.245 3.156 7.629 1.00 16.04 H new ATOM 0 HB3 LYS B 69 -7.215 3.921 6.386 1.00 16.04 H new ATOM 0 HG2 LYS B 69 -6.021 2.940 4.648 1.00 20.35 H new ATOM 0 HG3 LYS B 69 -4.496 3.018 5.506 1.00 20.35 H new ATOM 0 HD2 LYS B 69 -5.414 1.179 7.072 1.00 21.35 H new ATOM 0 HD3 LYS B 69 -6.757 1.010 5.959 1.00 21.35 H new ATOM 0 HE2 LYS B 69 -5.443 -0.404 4.738 1.00 30.24 H new ATOM 0 HE3 LYS B 69 -4.501 0.996 4.267 1.00 30.24 H new ATOM 0 HZ1 LYS B 69 -3.094 -0.685 5.279 1.00 32.70 H new ATOM 0 HZ2 LYS B 69 -3.127 0.699 6.263 1.00 32.70 H new ATOM 0 HZ3 LYS B 69 -4.031 -0.673 6.695 1.00 32.70 H new ATOM 2468 N VAL B 70 -4.358 4.403 8.946 1.00 13.65 N ATOM 2469 CA VAL B 70 -3.216 4.113 9.856 1.00 13.49 C ATOM 2470 C VAL B 70 -3.427 2.750 10.517 1.00 11.85 C ATOM 2471 O VAL B 70 -4.497 2.446 11.006 1.00 12.13 O ATOM 2472 CB VAL B 70 -3.134 5.191 10.930 1.00 14.48 C ATOM 2473 CG1 VAL B 70 -1.798 5.082 11.664 1.00 14.02 C ATOM 2474 CG2 VAL B 70 -3.252 6.571 10.279 1.00 15.63 C ATOM 0 H VAL B 70 -5.279 4.370 9.383 1.00 13.65 H new ATOM 0 HA VAL B 70 -2.289 4.101 9.283 1.00 13.49 H new ATOM 0 HB VAL B 70 -3.948 5.056 11.642 1.00 14.48 H new ATOM 0 HG11 VAL B 70 -1.741 5.854 12.432 1.00 14.02 H new ATOM 0 HG12 VAL B 70 -1.718 4.100 12.130 1.00 14.02 H new ATOM 0 HG13 VAL B 70 -0.981 5.215 10.955 1.00 14.02 H new ATOM 0 HG21 VAL B 70 -3.193 7.342 11.047 1.00 15.63 H new ATOM 0 HG22 VAL B 70 -2.439 6.707 9.565 1.00 15.63 H new ATOM 0 HG23 VAL B 70 -4.207 6.648 9.760 1.00 15.63 H new ATOM 2484 N GLY B 71 -2.416 1.927 10.537 1.00 11.15 N ATOM 2485 CA GLY B 71 -2.561 0.584 11.166 1.00 11.07 C ATOM 2486 C GLY B 71 -1.702 -0.429 10.410 1.00 12.15 C ATOM 2487 O GLY B 71 -0.747 -0.075 9.747 1.00 12.70 O ATOM 0 H GLY B 71 -1.496 2.126 10.145 1.00 11.15 H new ATOM 0 HA2 GLY B 71 -2.257 0.626 12.212 1.00 11.07 H new ATOM 0 HA3 GLY B 71 -3.606 0.274 11.150 1.00 11.07 H new ATOM 2491 N GLN B 72 -2.029 -1.688 10.506 1.00 15.78 N ATOM 2492 CA GLN B 72 -1.226 -2.719 9.793 1.00 19.42 C ATOM 2493 C GLN B 72 0.238 -2.594 10.215 1.00 16.97 C ATOM 2494 O GLN B 72 1.076 -2.141 9.462 1.00 20.46 O ATOM 2495 CB GLN B 72 -1.344 -2.508 8.282 1.00 22.64 C ATOM 2496 CG GLN B 72 -0.677 -3.673 7.549 1.00 25.29 C ATOM 2497 CD GLN B 72 -1.315 -4.990 7.995 1.00 26.29 C ATOM 2498 OE1 GLN B 72 -0.720 -6.041 7.864 1.00 26.22 O ATOM 2499 NE2 GLN B 72 -2.511 -4.980 8.519 1.00 25.15 N ATOM 0 H GLN B 72 -2.816 -2.046 11.047 1.00 15.78 H new ATOM 0 HA GLN B 72 -1.597 -3.712 10.046 1.00 19.42 H new ATOM 0 HB2 GLN B 72 -2.393 -2.437 7.995 1.00 22.64 H new ATOM 0 HB3 GLN B 72 -0.872 -1.568 7.998 1.00 22.64 H new ATOM 0 HG2 GLN B 72 -0.788 -3.550 6.472 1.00 25.29 H new ATOM 0 HG3 GLN B 72 0.392 -3.685 7.760 1.00 25.29 H new ATOM 0 HE21 GLN B 72 -3.012 -4.098 8.630 1.00 25.15 H new ATOM 0 HE22 GLN B 72 -2.944 -5.854 8.818 1.00 25.15 H new ATOM 2508 N PHE B 73 0.546 -2.987 11.420 1.00 14.56 N ATOM 2509 CA PHE B 73 1.952 -2.888 11.901 1.00 14.60 C ATOM 2510 C PHE B 73 2.292 -1.425 12.183 1.00 15.63 C ATOM 2511 O PHE B 73 3.418 -1.085 12.487 1.00 17.80 O ATOM 2512 CB PHE B 73 2.896 -3.435 10.832 1.00 12.63 C ATOM 2513 CG PHE B 73 3.648 -4.616 11.390 1.00 14.99 C ATOM 2514 CD1 PHE B 73 4.228 -4.538 12.661 1.00 16.27 C ATOM 2515 CD2 PHE B 73 3.767 -5.790 10.636 1.00 19.79 C ATOM 2516 CE1 PHE B 73 4.927 -5.635 13.180 1.00 20.44 C ATOM 2517 CE2 PHE B 73 4.465 -6.887 11.155 1.00 18.68 C ATOM 2518 CZ PHE B 73 5.045 -6.810 12.427 1.00 17.88 C ATOM 0 H PHE B 73 -0.116 -3.373 12.093 1.00 14.56 H new ATOM 0 HA PHE B 73 2.065 -3.469 12.816 1.00 14.60 H new ATOM 0 HB2 PHE B 73 2.331 -3.733 9.949 1.00 12.63 H new ATOM 0 HB3 PHE B 73 3.595 -2.660 10.516 1.00 12.63 H new ATOM 0 HD1 PHE B 73 4.137 -3.632 13.242 1.00 16.27 H new ATOM 0 HD2 PHE B 73 3.320 -5.849 9.654 1.00 19.79 H new ATOM 0 HE1 PHE B 73 5.375 -5.575 14.161 1.00 20.44 H new ATOM 0 HE2 PHE B 73 4.556 -7.793 10.574 1.00 18.68 H new ATOM 0 HZ PHE B 73 5.583 -7.656 12.827 1.00 17.88 H new ATOM 2528 N GLY B 74 1.324 -0.556 12.087 1.00 13.82 N ATOM 2529 CA GLY B 74 1.588 0.887 12.350 1.00 13.44 C ATOM 2530 C GLY B 74 2.266 1.513 11.132 1.00 10.42 C ATOM 2531 O GLY B 74 3.228 2.244 11.254 1.00 13.62 O ATOM 0 H GLY B 74 0.361 -0.783 11.838 1.00 13.82 H new ATOM 0 HA2 GLY B 74 0.653 1.405 12.565 1.00 13.44 H new ATOM 0 HA3 GLY B 74 2.223 0.997 13.229 1.00 13.44 H new ATOM 2535 N SER B 75 1.774 1.230 9.958 1.00 12.64 N ATOM 2536 CA SER B 75 2.395 1.810 8.734 1.00 12.47 C ATOM 2537 C SER B 75 1.324 2.507 7.891 1.00 12.47 C ATOM 2538 O SER B 75 0.375 1.894 7.444 1.00 11.32 O ATOM 2539 CB SER B 75 3.039 0.691 7.915 1.00 11.21 C ATOM 2540 OG SER B 75 4.437 0.928 7.816 1.00 18.27 O ATOM 0 H SER B 75 0.971 0.624 9.793 1.00 12.64 H new ATOM 0 HA SER B 75 3.154 2.537 9.023 1.00 12.47 H new ATOM 0 HB2 SER B 75 2.854 -0.274 8.387 1.00 11.21 H new ATOM 0 HB3 SER B 75 2.594 0.650 6.921 1.00 11.21 H new ATOM 0 HG SER B 75 4.854 0.212 7.293 1.00 18.27 H new ATOM 2546 N LEU B 76 1.469 3.786 7.667 1.00 12.43 N ATOM 2547 CA LEU B 76 0.461 4.518 6.849 1.00 12.18 C ATOM 2548 C LEU B 76 0.310 3.820 5.496 1.00 12.07 C ATOM 2549 O LEU B 76 1.264 3.304 4.947 1.00 9.82 O ATOM 2550 CB LEU B 76 0.931 5.959 6.633 1.00 11.99 C ATOM 2551 CG LEU B 76 -0.275 6.857 6.353 1.00 8.87 C ATOM 2552 CD1 LEU B 76 -0.656 7.612 7.629 1.00 9.28 C ATOM 2553 CD2 LEU B 76 0.083 7.860 5.253 1.00 7.80 C ATOM 0 H LEU B 76 2.241 4.354 8.015 1.00 12.43 H new ATOM 0 HA LEU B 76 -0.499 4.525 7.366 1.00 12.18 H new ATOM 0 HB2 LEU B 76 1.464 6.314 7.515 1.00 11.99 H new ATOM 0 HB3 LEU B 76 1.631 6.002 5.798 1.00 11.99 H new ATOM 0 HG LEU B 76 -1.117 6.246 6.028 1.00 8.87 H new ATOM 0 HD11 LEU B 76 -1.515 8.252 7.430 1.00 9.28 H new ATOM 0 HD12 LEU B 76 -0.909 6.898 8.413 1.00 9.28 H new ATOM 0 HD13 LEU B 76 0.185 8.224 7.954 1.00 9.28 H new ATOM 0 HD21 LEU B 76 -0.775 8.501 5.052 1.00 7.80 H new ATOM 0 HD22 LEU B 76 0.925 8.472 5.578 1.00 7.80 H new ATOM 0 HD23 LEU B 76 0.355 7.322 4.345 1.00 7.80 H new ATOM 2565 N MET B 77 -0.877 3.795 4.954 1.00 14.08 N ATOM 2566 CA MET B 77 -1.076 3.121 3.639 1.00 14.12 C ATOM 2567 C MET B 77 -2.364 3.628 2.988 1.00 11.37 C ATOM 2568 O MET B 77 -3.363 3.840 3.645 1.00 11.44 O ATOM 2569 CB MET B 77 -1.182 1.609 3.850 1.00 16.48 C ATOM 2570 CG MET B 77 0.146 1.066 4.381 1.00 24.75 C ATOM 2571 SD MET B 77 0.143 -0.741 4.280 1.00 35.11 S ATOM 2572 CE MET B 77 1.128 -0.885 2.769 1.00 33.86 C ATOM 0 H MET B 77 -1.714 4.210 5.362 1.00 14.08 H new ATOM 0 HA MET B 77 -0.228 3.344 2.991 1.00 14.12 H new ATOM 0 HB2 MET B 77 -1.984 1.386 4.554 1.00 16.48 H new ATOM 0 HB3 MET B 77 -1.437 1.118 2.911 1.00 16.48 H new ATOM 0 HG2 MET B 77 0.975 1.472 3.801 1.00 24.75 H new ATOM 0 HG3 MET B 77 0.294 1.383 5.413 1.00 24.75 H new ATOM 0 HE1 MET B 77 1.254 -1.938 2.516 1.00 33.86 H new ATOM 0 HE2 MET B 77 0.618 -0.374 1.952 1.00 33.86 H new ATOM 0 HE3 MET B 77 2.106 -0.431 2.928 1.00 33.86 H new ATOM 2582 N ILE B 78 -2.348 3.816 1.697 1.00 11.78 N ATOM 2583 CA ILE B 78 -3.571 4.302 0.998 1.00 11.62 C ATOM 2584 C ILE B 78 -4.647 3.212 1.018 1.00 11.45 C ATOM 2585 O ILE B 78 -4.363 2.041 0.861 1.00 12.59 O ATOM 2586 CB ILE B 78 -3.241 4.626 -0.457 1.00 12.05 C ATOM 2587 CG1 ILE B 78 -2.338 5.858 -0.532 1.00 7.09 C ATOM 2588 CG2 ILE B 78 -4.536 4.895 -1.223 1.00 10.70 C ATOM 2589 CD1 ILE B 78 -0.976 5.456 -1.099 1.00 13.67 C ATOM 0 H ILE B 78 -1.540 3.654 1.096 1.00 11.78 H new ATOM 0 HA ILE B 78 -3.933 5.195 1.507 1.00 11.62 H new ATOM 0 HB ILE B 78 -2.720 3.778 -0.901 1.00 12.05 H new ATOM 0 HG12 ILE B 78 -2.796 6.620 -1.162 1.00 7.09 H new ATOM 0 HG13 ILE B 78 -2.217 6.295 0.459 1.00 7.09 H new ATOM 0 HG21 ILE B 78 -4.303 5.127 -2.262 1.00 10.70 H new ATOM 0 HG22 ILE B 78 -5.173 4.011 -1.182 1.00 10.70 H new ATOM 0 HG23 ILE B 78 -5.057 5.739 -0.771 1.00 10.70 H new ATOM 0 HD11 ILE B 78 -0.331 6.333 -1.153 1.00 13.67 H new ATOM 0 HD12 ILE B 78 -0.518 4.709 -0.451 1.00 13.67 H new ATOM 0 HD13 ILE B 78 -1.106 5.039 -2.098 1.00 13.67 H new ATOM 2601 N ASP B 79 -5.880 3.594 1.186 1.00 10.05 N ATOM 2602 CA ASP B 79 -6.988 2.592 1.191 1.00 14.79 C ATOM 2603 C ASP B 79 -7.799 2.751 -0.098 1.00 15.20 C ATOM 2604 O ASP B 79 -8.489 1.852 -0.536 1.00 18.10 O ATOM 2605 CB ASP B 79 -7.894 2.833 2.400 1.00 12.21 C ATOM 2606 CG ASP B 79 -8.820 1.631 2.594 1.00 17.52 C ATOM 2607 OD1 ASP B 79 -9.131 0.983 1.609 1.00 24.06 O ATOM 2608 OD2 ASP B 79 -9.202 1.379 3.725 1.00 21.87 O ATOM 0 H ASP B 79 -6.173 4.562 1.321 1.00 10.05 H new ATOM 0 HA ASP B 79 -6.577 1.584 1.250 1.00 14.79 H new ATOM 0 HB2 ASP B 79 -7.291 2.988 3.294 1.00 12.21 H new ATOM 0 HB3 ASP B 79 -8.483 3.738 2.252 1.00 12.21 H new ATOM 2613 N ARG B 80 -7.699 3.899 -0.704 1.00 17.08 N ATOM 2614 CA ARG B 80 -8.428 4.178 -1.971 1.00 17.14 C ATOM 2615 C ARG B 80 -8.197 5.646 -2.306 1.00 14.98 C ATOM 2616 O ARG B 80 -9.092 6.465 -2.257 1.00 16.47 O ATOM 2617 CB ARG B 80 -9.924 3.902 -1.798 1.00 17.78 C ATOM 2618 CG ARG B 80 -10.639 4.114 -3.134 1.00 22.76 C ATOM 2619 CD ARG B 80 -11.279 2.799 -3.586 1.00 28.43 C ATOM 2620 NE ARG B 80 -12.761 2.903 -3.476 1.00 33.10 N ATOM 2621 CZ ARG B 80 -13.525 2.033 -4.081 1.00 30.84 C ATOM 2622 NH1 ARG B 80 -12.993 1.071 -4.787 1.00 33.12 N ATOM 2623 NH2 ARG B 80 -14.823 2.124 -3.980 1.00 35.04 N ATOM 0 H ARG B 80 -7.129 4.674 -0.366 1.00 17.08 H new ATOM 0 HA ARG B 80 -8.066 3.535 -2.774 1.00 17.14 H new ATOM 0 HB2 ARG B 80 -10.078 2.881 -1.449 1.00 17.78 H new ATOM 0 HB3 ARG B 80 -10.342 4.565 -1.040 1.00 17.78 H new ATOM 0 HG2 ARG B 80 -11.402 4.886 -3.032 1.00 22.76 H new ATOM 0 HG3 ARG B 80 -9.931 4.463 -3.886 1.00 22.76 H new ATOM 0 HD2 ARG B 80 -10.995 2.579 -4.615 1.00 28.43 H new ATOM 0 HD3 ARG B 80 -10.915 1.975 -2.972 1.00 28.43 H new ATOM 0 HE ARG B 80 -13.180 3.654 -2.928 1.00 33.10 H new ATOM 0 HH11 ARG B 80 -11.979 0.998 -4.867 1.00 33.12 H new ATOM 0 HH12 ARG B 80 -13.592 0.393 -5.258 1.00 33.12 H new ATOM 0 HH21 ARG B 80 -15.240 2.874 -3.429 1.00 35.04 H new ATOM 0 HH22 ARG B 80 -15.420 1.445 -4.452 1.00 35.04 H new ATOM 2637 N LEU B 81 -6.973 5.960 -2.608 1.00 11.03 N ATOM 2638 CA LEU B 81 -6.560 7.355 -2.921 1.00 11.27 C ATOM 2639 C LEU B 81 -7.715 8.175 -3.510 1.00 15.61 C ATOM 2640 O LEU B 81 -8.254 7.861 -4.552 1.00 18.56 O ATOM 2641 CB LEU B 81 -5.369 7.301 -3.884 1.00 13.62 C ATOM 2642 CG LEU B 81 -5.837 7.418 -5.331 1.00 12.84 C ATOM 2643 CD1 LEU B 81 -4.614 7.470 -6.250 1.00 11.44 C ATOM 2644 CD2 LEU B 81 -6.689 6.193 -5.684 1.00 18.72 C ATOM 0 H LEU B 81 -6.212 5.282 -2.653 1.00 11.03 H new ATOM 0 HA LEU B 81 -6.269 7.859 -1.999 1.00 11.27 H new ATOM 0 HB2 LEU B 81 -4.674 8.109 -3.655 1.00 13.62 H new ATOM 0 HB3 LEU B 81 -4.827 6.365 -3.747 1.00 13.62 H new ATOM 0 HG LEU B 81 -6.429 8.324 -5.458 1.00 12.84 H new ATOM 0 HD11 LEU B 81 -4.941 7.554 -7.286 1.00 11.44 H new ATOM 0 HD12 LEU B 81 -4.001 8.334 -5.992 1.00 11.44 H new ATOM 0 HD13 LEU B 81 -4.027 6.560 -6.127 1.00 11.44 H new ATOM 0 HD21 LEU B 81 -7.027 6.270 -6.717 1.00 18.72 H new ATOM 0 HD22 LEU B 81 -6.093 5.288 -5.564 1.00 18.72 H new ATOM 0 HD23 LEU B 81 -7.554 6.148 -5.022 1.00 18.72 H new ATOM 2656 N ARG B 82 -8.082 9.243 -2.853 1.00 13.37 N ATOM 2657 CA ARG B 82 -9.176 10.104 -3.381 1.00 12.72 C ATOM 2658 C ARG B 82 -8.537 11.213 -4.214 1.00 13.33 C ATOM 2659 O ARG B 82 -7.971 12.148 -3.687 1.00 13.27 O ATOM 2660 CB ARG B 82 -9.965 10.715 -2.220 1.00 13.85 C ATOM 2661 CG ARG B 82 -11.427 10.891 -2.635 1.00 16.22 C ATOM 2662 CD ARG B 82 -12.313 10.938 -1.388 1.00 16.62 C ATOM 2663 NE ARG B 82 -12.565 12.357 -1.009 1.00 15.85 N ATOM 2664 CZ ARG B 82 -13.524 12.652 -0.174 1.00 17.96 C ATOM 2665 NH1 ARG B 82 -14.272 11.706 0.329 1.00 20.55 N ATOM 2666 NH2 ARG B 82 -13.738 13.896 0.158 1.00 16.89 N ATOM 0 H ARG B 82 -7.670 9.555 -1.973 1.00 13.37 H new ATOM 0 HA ARG B 82 -9.862 9.516 -3.991 1.00 12.72 H new ATOM 0 HB2 ARG B 82 -9.900 10.071 -1.343 1.00 13.85 H new ATOM 0 HB3 ARG B 82 -9.536 11.678 -1.941 1.00 13.85 H new ATOM 0 HG2 ARG B 82 -11.544 11.809 -3.211 1.00 16.22 H new ATOM 0 HG3 ARG B 82 -11.734 10.068 -3.281 1.00 16.22 H new ATOM 0 HD2 ARG B 82 -13.257 10.429 -1.581 1.00 16.62 H new ATOM 0 HD3 ARG B 82 -11.829 10.411 -0.565 1.00 16.62 H new ATOM 0 HE ARG B 82 -11.987 13.099 -1.403 1.00 15.85 H new ATOM 0 HH11 ARG B 82 -14.107 10.733 0.069 1.00 20.55 H new ATOM 0 HH12 ARG B 82 -15.020 11.940 0.981 1.00 20.55 H new ATOM 0 HH21 ARG B 82 -13.156 14.636 -0.235 1.00 16.89 H new ATOM 0 HH22 ARG B 82 -14.487 14.128 0.810 1.00 16.89 H new ATOM 2680 N LEU B 83 -8.589 11.102 -5.510 1.00 13.53 N ATOM 2681 CA LEU B 83 -7.948 12.134 -6.367 1.00 13.86 C ATOM 2682 C LEU B 83 -8.768 13.422 -6.385 1.00 13.02 C ATOM 2683 O LEU B 83 -9.976 13.418 -6.256 1.00 14.40 O ATOM 2684 CB LEU B 83 -7.797 11.611 -7.794 1.00 9.93 C ATOM 2685 CG LEU B 83 -6.883 12.548 -8.569 1.00 8.07 C ATOM 2686 CD1 LEU B 83 -5.427 12.127 -8.362 1.00 8.88 C ATOM 2687 CD2 LEU B 83 -7.230 12.481 -10.057 1.00 10.58 C ATOM 0 H LEU B 83 -9.047 10.342 -6.013 1.00 13.53 H new ATOM 0 HA LEU B 83 -6.965 12.352 -5.949 1.00 13.86 H new ATOM 0 HB2 LEU B 83 -7.382 10.603 -7.784 1.00 9.93 H new ATOM 0 HB3 LEU B 83 -8.772 11.550 -8.278 1.00 9.93 H new ATOM 0 HG LEU B 83 -7.018 13.569 -8.211 1.00 8.07 H new ATOM 0 HD11 LEU B 83 -4.772 12.798 -8.917 1.00 8.88 H new ATOM 0 HD12 LEU B 83 -5.182 12.176 -7.301 1.00 8.88 H new ATOM 0 HD13 LEU B 83 -5.289 11.107 -8.720 1.00 8.88 H new ATOM 0 HD21 LEU B 83 -6.576 13.152 -10.614 1.00 10.58 H new ATOM 0 HD22 LEU B 83 -7.094 11.461 -10.417 1.00 10.58 H new ATOM 0 HD23 LEU B 83 -8.267 12.782 -10.203 1.00 10.58 H new ATOM 2699 N VAL B 84 -8.097 14.527 -6.543 1.00 11.81 N ATOM 2700 CA VAL B 84 -8.779 15.838 -6.579 1.00 12.86 C ATOM 2701 C VAL B 84 -8.016 16.749 -7.548 1.00 14.98 C ATOM 2702 O VAL B 84 -6.830 16.580 -7.737 1.00 13.59 O ATOM 2703 CB VAL B 84 -8.745 16.434 -5.172 1.00 14.61 C ATOM 2704 CG1 VAL B 84 -9.358 15.442 -4.183 1.00 17.65 C ATOM 2705 CG2 VAL B 84 -7.293 16.721 -4.776 1.00 17.34 C ATOM 0 H VAL B 84 -7.084 14.572 -6.650 1.00 11.81 H new ATOM 0 HA VAL B 84 -9.813 15.736 -6.909 1.00 12.86 H new ATOM 0 HB VAL B 84 -9.317 17.362 -5.155 1.00 14.61 H new ATOM 0 HG11 VAL B 84 -9.334 15.867 -3.179 1.00 17.65 H new ATOM 0 HG12 VAL B 84 -10.391 15.237 -4.466 1.00 17.65 H new ATOM 0 HG13 VAL B 84 -8.787 14.514 -4.198 1.00 17.65 H new ATOM 0 HG21 VAL B 84 -7.267 17.146 -3.773 1.00 17.34 H new ATOM 0 HG22 VAL B 84 -6.721 15.793 -4.792 1.00 17.34 H new ATOM 0 HG23 VAL B 84 -6.857 17.428 -5.481 1.00 17.34 H new ATOM 2715 N PRO B 85 -8.706 17.697 -8.125 1.00 18.65 N ATOM 2716 CA PRO B 85 -8.093 18.653 -9.062 1.00 22.41 C ATOM 2717 C PRO B 85 -7.056 19.521 -8.338 1.00 25.70 C ATOM 2718 O PRO B 85 -7.221 19.873 -7.187 1.00 22.08 O ATOM 2719 CB PRO B 85 -9.277 19.463 -9.591 1.00 21.19 C ATOM 2720 CG PRO B 85 -10.404 19.277 -8.562 1.00 18.95 C ATOM 2721 CD PRO B 85 -10.140 17.919 -7.890 1.00 20.63 C ATOM 0 HA PRO B 85 -7.544 18.177 -9.875 1.00 22.41 H new ATOM 0 HB2 PRO B 85 -9.014 20.516 -9.698 1.00 21.19 H new ATOM 0 HB3 PRO B 85 -9.584 19.110 -10.575 1.00 21.19 H new ATOM 0 HG2 PRO B 85 -10.400 20.083 -7.828 1.00 18.95 H new ATOM 0 HG3 PRO B 85 -11.381 19.290 -9.046 1.00 18.95 H new ATOM 0 HD2 PRO B 85 -10.374 17.945 -6.826 1.00 20.63 H new ATOM 0 HD3 PRO B 85 -10.747 17.128 -8.330 1.00 20.63 H new ATOM 2729 N ALA B 86 -5.977 19.847 -9.000 1.00 31.74 N ATOM 2730 CA ALA B 86 -4.914 20.668 -8.351 1.00 39.94 C ATOM 2731 C ALA B 86 -5.348 22.134 -8.313 1.00 46.96 C ATOM 2732 O ALA B 86 -5.653 22.729 -9.327 1.00 49.29 O ATOM 2733 CB ALA B 86 -3.615 20.537 -9.153 1.00 39.70 C ATOM 0 H ALA B 86 -5.786 19.579 -9.965 1.00 31.74 H new ATOM 0 HA ALA B 86 -4.752 20.316 -7.332 1.00 39.94 H new ATOM 0 HB1 ALA B 86 -2.835 21.135 -8.682 1.00 39.70 H new ATOM 0 HB2 ALA B 86 -3.306 19.492 -9.177 1.00 39.70 H new ATOM 0 HB3 ALA B 86 -3.779 20.890 -10.171 1.00 39.70 H new ATOM 2739 N LYS B 87 -5.377 22.720 -7.148 1.00 51.78 N ATOM 2740 CA LYS B 87 -5.790 24.148 -7.041 1.00 55.12 C ATOM 2741 C LYS B 87 -4.979 24.988 -8.030 1.00 55.82 C ATOM 2742 O LYS B 87 -3.827 25.261 -7.740 1.00 58.05 O ATOM 2743 CB LYS B 87 -5.533 24.647 -5.617 1.00 52.96 C ATOM 2744 CG LYS B 87 -6.283 23.759 -4.621 1.00 55.49 C ATOM 2745 CD LYS B 87 -5.277 22.945 -3.805 1.00 56.64 C ATOM 2746 CE LYS B 87 -5.696 21.474 -3.799 1.00 58.91 C ATOM 2747 NZ LYS B 87 -5.627 20.944 -2.408 1.00 58.16 N ATOM 2748 OXT LYS B 87 -5.526 25.343 -9.062 1.00 57.66 O ATOM 0 H LYS B 87 -5.132 22.272 -6.265 1.00 51.78 H new ATOM 0 HA LYS B 87 -6.851 24.239 -7.272 1.00 55.12 H new ATOM 0 HB2 LYS B 87 -4.465 24.631 -5.402 1.00 52.96 H new ATOM 0 HB3 LYS B 87 -5.862 25.681 -5.518 1.00 52.96 H new ATOM 0 HG2 LYS B 87 -6.893 24.373 -3.958 1.00 55.49 H new ATOM 0 HG3 LYS B 87 -6.962 23.091 -5.152 1.00 55.49 H new ATOM 0 HD2 LYS B 87 -4.279 23.048 -4.231 1.00 56.64 H new ATOM 0 HD3 LYS B 87 -5.229 23.325 -2.784 1.00 56.64 H new ATOM 0 HE2 LYS B 87 -6.709 21.372 -4.189 1.00 58.91 H new ATOM 0 HE3 LYS B 87 -5.043 20.896 -4.453 1.00 58.91 H new ATOM 0 HZ1 LYS B 87 -5.912 19.944 -2.403 1.00 58.16 H new ATOM 0 HZ2 LYS B 87 -4.653 21.029 -2.052 1.00 58.16 H new ATOM 0 HZ3 LYS B 87 -6.268 21.489 -1.797 1.00 58.16 H new