USER MOD reduce.3.24.130724 H: found=0, std=0, add=811, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 53 SER OG : rot -7:sc= -0.0443 USER MOD Set 1.2: A 58 MET CE :methyl -158:sc= -0.0802 (180deg=-0.601) USER MOD Set 2.1: A 41 MET CE :methyl -142:sc= -2.8! (180deg=0) USER MOD Set 2.2: A 70 GLN : amide:sc= -4.62! C(o=-7.4!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 20 GLN : amide:sc= -0.188 K(o=-0.19,f=-1.7!) USER MOD Single : A 26 ASN : amide:sc= -0.746 K(o=-0.75,f=-1.5) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.626 K(o=-0.63,f=-1.9!) USER MOD Single : A 33 LYS NZ :NH3+ -161:sc= 1.12 (180deg=0.999) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.572 X(o=-0.57,f=-0.33) USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 163:sc= -0.514 (180deg=-0.565) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -5.21! C(o=-5.2!,f=-12!) USER MOD Single : A 68 GLN : amide:sc= -10.3! C(o=-10!,f=-6.2!) USER MOD Single : A 74 HIS : no HD1:sc= -2.91 K(o=-2.9,f=-3.6!) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0.0364 USER MOD Single : A 79 ASN : amide:sc= -0.0445 K(o=-0.044,f=-1.8!) USER MOD Single : A 82 ASN : amide:sc=-0.00648 X(o=-0.0065,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0199 X(o=-0.02,f=-0.011) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot -57:sc= -5.13! USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 64:sc= 1.07 USER MOD Single : A 97 THR OG1 : rot -85:sc= -1.39 USER MOD Single : A 98 ASN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 100 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.58) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 104 SER OG : rot 35:sc= 0.462 USER MOD Single : A 105 SER OG : rot 40:sc= 0.0118 USER MOD Single : A 108 SER OG : rot 16:sc= 1.07 USER MOD Single : A 109 SER OG : rot 25:sc= 0.742 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 19.762 0.619 -28.284 1.00 0.00 N ATOM 2 CA GLY A 1 18.932 1.760 -28.631 1.00 0.00 C ATOM 3 C GLY A 1 19.286 2.976 -27.772 1.00 0.00 C ATOM 4 O GLY A 1 18.498 3.392 -26.924 1.00 0.00 O ATOM 0 H1 GLY A 1 19.503 -0.193 -28.880 1.00 0.00 H new ATOM 0 H2 GLY A 1 20.762 0.857 -28.439 1.00 0.00 H new ATOM 0 H3 GLY A 1 19.616 0.375 -27.284 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.065 2.004 -29.685 1.00 0.00 H new ATOM 0 HA3 GLY A 1 17.881 1.506 -28.492 1.00 0.00 H new ATOM 8 N SER A 2 20.472 3.512 -28.022 1.00 0.00 N ATOM 9 CA SER A 2 20.939 4.672 -27.283 1.00 0.00 C ATOM 10 C SER A 2 20.967 4.361 -25.785 1.00 0.00 C ATOM 11 O SER A 2 20.392 3.368 -25.342 1.00 0.00 O ATOM 12 CB SER A 2 20.057 5.892 -27.555 1.00 0.00 C ATOM 13 OG SER A 2 20.308 6.455 -28.840 1.00 0.00 O ATOM 0 H SER A 2 21.123 3.164 -28.726 1.00 0.00 H new ATOM 0 HA SER A 2 21.949 4.907 -27.619 1.00 0.00 H new ATOM 0 HB2 SER A 2 19.008 5.604 -27.484 1.00 0.00 H new ATOM 0 HB3 SER A 2 20.234 6.646 -26.788 1.00 0.00 H new ATOM 0 HG SER A 2 19.725 7.230 -28.977 1.00 0.00 H new ATOM 19 N SER A 3 21.641 5.229 -25.045 1.00 0.00 N ATOM 20 CA SER A 3 21.751 5.060 -23.606 1.00 0.00 C ATOM 21 C SER A 3 20.986 6.173 -22.888 1.00 0.00 C ATOM 22 O SER A 3 20.660 7.195 -23.490 1.00 0.00 O ATOM 23 CB SER A 3 23.216 5.052 -23.163 1.00 0.00 C ATOM 24 OG SER A 3 23.757 6.368 -23.084 1.00 0.00 O ATOM 0 H SER A 3 22.117 6.052 -25.415 1.00 0.00 H new ATOM 0 HA SER A 3 21.313 4.098 -23.340 1.00 0.00 H new ATOM 0 HB2 SER A 3 23.298 4.567 -22.190 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.804 4.460 -23.865 1.00 0.00 H new ATOM 0 HG SER A 3 24.693 6.320 -22.797 1.00 0.00 H new ATOM 30 N GLY A 4 20.722 5.938 -21.612 1.00 0.00 N ATOM 31 CA GLY A 4 20.000 6.908 -20.805 1.00 0.00 C ATOM 32 C GLY A 4 18.826 6.251 -20.077 1.00 0.00 C ATOM 33 O GLY A 4 18.774 6.252 -18.848 1.00 0.00 O ATOM 0 H GLY A 4 20.995 5.090 -21.116 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.677 7.358 -20.079 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.633 7.714 -21.441 1.00 0.00 H new ATOM 37 N SER A 5 17.912 5.705 -20.866 1.00 0.00 N ATOM 38 CA SER A 5 16.742 5.046 -20.312 1.00 0.00 C ATOM 39 C SER A 5 15.817 6.079 -19.664 1.00 0.00 C ATOM 40 O SER A 5 14.728 6.345 -20.169 1.00 0.00 O ATOM 41 CB SER A 5 17.143 3.979 -19.292 1.00 0.00 C ATOM 42 OG SER A 5 16.918 2.660 -19.783 1.00 0.00 O ATOM 0 H SER A 5 17.958 5.706 -21.885 1.00 0.00 H new ATOM 0 HA SER A 5 16.211 4.552 -21.125 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.197 4.097 -19.039 1.00 0.00 H new ATOM 0 HB3 SER A 5 16.576 4.125 -18.372 1.00 0.00 H new ATOM 0 HG SER A 5 17.188 2.008 -19.104 1.00 0.00 H new ATOM 48 N SER A 6 16.286 6.633 -18.556 1.00 0.00 N ATOM 49 CA SER A 6 15.515 7.631 -17.834 1.00 0.00 C ATOM 50 C SER A 6 14.359 6.961 -17.090 1.00 0.00 C ATOM 51 O SER A 6 13.230 6.940 -17.579 1.00 0.00 O ATOM 52 CB SER A 6 14.983 8.708 -18.782 1.00 0.00 C ATOM 53 OG SER A 6 15.123 10.016 -18.236 1.00 0.00 O ATOM 0 H SER A 6 17.190 6.410 -18.140 1.00 0.00 H new ATOM 0 HA SER A 6 16.172 8.114 -17.111 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.517 8.652 -19.730 1.00 0.00 H new ATOM 0 HB3 SER A 6 13.932 8.515 -18.996 1.00 0.00 H new ATOM 0 HG SER A 6 14.774 10.675 -18.872 1.00 0.00 H new ATOM 59 N GLY A 7 14.679 6.429 -15.919 1.00 0.00 N ATOM 60 CA GLY A 7 13.681 5.760 -15.103 1.00 0.00 C ATOM 61 C GLY A 7 12.906 6.766 -14.250 1.00 0.00 C ATOM 62 O GLY A 7 13.275 7.937 -14.177 1.00 0.00 O ATOM 0 H GLY A 7 15.616 6.448 -15.516 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.990 5.212 -15.744 1.00 0.00 H new ATOM 0 HA3 GLY A 7 14.166 5.027 -14.457 1.00 0.00 H new ATOM 66 N PRO A 8 11.818 6.260 -13.610 1.00 0.00 N ATOM 67 CA PRO A 8 10.988 7.101 -12.765 1.00 0.00 C ATOM 68 C PRO A 8 11.679 7.392 -11.432 1.00 0.00 C ATOM 69 O PRO A 8 12.533 6.624 -10.991 1.00 0.00 O ATOM 70 CB PRO A 8 9.686 6.333 -12.604 1.00 0.00 C ATOM 71 CG PRO A 8 10.002 4.893 -12.973 1.00 0.00 C ATOM 72 CD PRO A 8 11.351 4.878 -13.674 1.00 0.00 C ATOM 0 HA PRO A 8 10.805 8.083 -13.200 1.00 0.00 H new ATOM 0 HB2 PRO A 8 9.316 6.402 -11.581 1.00 0.00 H new ATOM 0 HB3 PRO A 8 8.910 6.741 -13.252 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.028 4.267 -12.081 1.00 0.00 H new ATOM 0 HG3 PRO A 8 9.228 4.487 -13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 8 12.047 4.202 -13.178 1.00 0.00 H new ATOM 0 HD3 PRO A 8 11.257 4.539 -14.706 1.00 0.00 H new ATOM 80 N ASP A 9 11.285 8.503 -10.827 1.00 0.00 N ATOM 81 CA ASP A 9 11.857 8.905 -9.553 1.00 0.00 C ATOM 82 C ASP A 9 10.927 9.914 -8.877 1.00 0.00 C ATOM 83 O ASP A 9 10.895 11.084 -9.256 1.00 0.00 O ATOM 84 CB ASP A 9 13.219 9.573 -9.747 1.00 0.00 C ATOM 85 CG ASP A 9 14.206 9.375 -8.595 1.00 0.00 C ATOM 86 OD1 ASP A 9 14.239 8.243 -8.064 1.00 0.00 O ATOM 87 OD2 ASP A 9 14.905 10.359 -8.271 1.00 0.00 O ATOM 0 H ASP A 9 10.576 9.137 -11.195 1.00 0.00 H new ATOM 0 HA ASP A 9 11.978 8.011 -8.941 1.00 0.00 H new ATOM 0 HB2 ASP A 9 13.669 9.187 -10.662 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.065 10.642 -9.894 1.00 0.00 H new ATOM 92 N VAL A 10 10.192 9.425 -7.889 1.00 0.00 N ATOM 93 CA VAL A 10 9.264 10.270 -7.158 1.00 0.00 C ATOM 94 C VAL A 10 8.172 10.764 -8.109 1.00 0.00 C ATOM 95 O VAL A 10 8.456 11.138 -9.245 1.00 0.00 O ATOM 96 CB VAL A 10 10.021 11.411 -6.474 1.00 0.00 C ATOM 97 CG1 VAL A 10 9.124 12.638 -6.300 1.00 0.00 C ATOM 98 CG2 VAL A 10 10.599 10.958 -5.132 1.00 0.00 C ATOM 0 H VAL A 10 10.221 8.454 -7.578 1.00 0.00 H new ATOM 0 HA VAL A 10 8.774 9.702 -6.367 1.00 0.00 H new ATOM 0 HB VAL A 10 10.853 11.695 -7.118 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.687 13.434 -5.812 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.784 12.981 -7.277 1.00 0.00 H new ATOM 0 HG13 VAL A 10 8.262 12.374 -5.687 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.132 11.787 -4.667 1.00 0.00 H new ATOM 0 HG22 VAL A 10 9.789 10.634 -4.478 1.00 0.00 H new ATOM 0 HG23 VAL A 10 11.288 10.129 -5.294 1.00 0.00 H new ATOM 108 N ARG A 11 6.945 10.749 -7.609 1.00 0.00 N ATOM 109 CA ARG A 11 5.809 11.190 -8.400 1.00 0.00 C ATOM 110 C ARG A 11 4.535 11.179 -7.552 1.00 0.00 C ATOM 111 O ARG A 11 3.640 10.367 -7.779 1.00 0.00 O ATOM 112 CB ARG A 11 5.606 10.292 -9.622 1.00 0.00 C ATOM 113 CG ARG A 11 6.201 10.933 -10.878 1.00 0.00 C ATOM 114 CD ARG A 11 5.211 10.874 -12.044 1.00 0.00 C ATOM 115 NE ARG A 11 5.934 11.010 -13.328 1.00 0.00 N ATOM 116 CZ ARG A 11 6.758 10.080 -13.829 1.00 0.00 C ATOM 117 NH1 ARG A 11 6.967 8.939 -13.158 1.00 0.00 N ATOM 118 NH2 ARG A 11 7.371 10.289 -15.002 1.00 0.00 N ATOM 0 H ARG A 11 6.713 10.438 -6.666 1.00 0.00 H new ATOM 0 HA ARG A 11 6.016 12.205 -8.739 1.00 0.00 H new ATOM 0 HB2 ARG A 11 6.074 9.323 -9.447 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.542 10.110 -9.771 1.00 0.00 H new ATOM 0 HG2 ARG A 11 6.464 11.970 -10.672 1.00 0.00 H new ATOM 0 HG3 ARG A 11 7.122 10.419 -11.152 1.00 0.00 H new ATOM 0 HD2 ARG A 11 4.666 9.930 -12.022 1.00 0.00 H new ATOM 0 HD3 ARG A 11 4.473 11.670 -11.946 1.00 0.00 H new ATOM 0 HE ARG A 11 5.796 11.866 -13.866 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.499 8.779 -12.266 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.594 8.231 -13.539 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.210 11.156 -15.514 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.998 9.581 -15.383 1.00 0.00 H new ATOM 132 N ARG A 12 4.494 12.092 -6.591 1.00 0.00 N ATOM 133 CA ARG A 12 3.346 12.198 -5.708 1.00 0.00 C ATOM 134 C ARG A 12 3.187 13.637 -5.214 1.00 0.00 C ATOM 135 O ARG A 12 3.342 13.909 -4.025 1.00 0.00 O ATOM 136 CB ARG A 12 3.489 11.265 -4.504 1.00 0.00 C ATOM 137 CG ARG A 12 2.894 9.888 -4.803 1.00 0.00 C ATOM 138 CD ARG A 12 3.839 8.772 -4.351 1.00 0.00 C ATOM 139 NE ARG A 12 3.834 7.672 -5.340 1.00 0.00 N ATOM 140 CZ ARG A 12 4.848 6.815 -5.516 1.00 0.00 C ATOM 141 NH1 ARG A 12 5.956 6.926 -4.770 1.00 0.00 N ATOM 142 NH2 ARG A 12 4.756 5.847 -6.438 1.00 0.00 N ATOM 0 H ARG A 12 5.238 12.765 -6.406 1.00 0.00 H new ATOM 0 HA ARG A 12 2.463 11.906 -6.276 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.542 11.161 -4.243 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.988 11.701 -3.640 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.935 9.785 -4.296 1.00 0.00 H new ATOM 0 HG3 ARG A 12 2.701 9.795 -5.872 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.849 9.164 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.531 8.396 -3.375 1.00 0.00 H new ATOM 0 HE ARG A 12 3.006 7.559 -5.925 1.00 0.00 H new ATOM 0 HH11 ARG A 12 6.027 7.663 -4.068 1.00 0.00 H new ATOM 0 HH12 ARG A 12 6.728 6.273 -4.904 1.00 0.00 H new ATOM 0 HH21 ARG A 12 3.913 5.762 -7.006 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.529 5.195 -6.571 1.00 0.00 H new ATOM 156 N ASP A 13 2.880 14.520 -6.153 1.00 0.00 N ATOM 157 CA ASP A 13 2.698 15.925 -5.828 1.00 0.00 C ATOM 158 C ASP A 13 1.364 16.408 -6.399 1.00 0.00 C ATOM 159 O ASP A 13 0.602 17.090 -5.715 1.00 0.00 O ATOM 160 CB ASP A 13 3.811 16.780 -6.438 1.00 0.00 C ATOM 161 CG ASP A 13 4.937 17.159 -5.475 1.00 0.00 C ATOM 162 OD1 ASP A 13 4.802 16.816 -4.280 1.00 0.00 O ATOM 163 OD2 ASP A 13 5.908 17.784 -5.954 1.00 0.00 O ATOM 0 H ASP A 13 2.753 14.290 -7.139 1.00 0.00 H new ATOM 0 HA ASP A 13 2.720 16.025 -4.743 1.00 0.00 H new ATOM 0 HB2 ASP A 13 4.241 16.241 -7.282 1.00 0.00 H new ATOM 0 HB3 ASP A 13 3.370 17.694 -6.835 1.00 0.00 H new ATOM 168 N LYS A 14 1.121 16.035 -7.647 1.00 0.00 N ATOM 169 CA LYS A 14 -0.108 16.422 -8.318 1.00 0.00 C ATOM 170 C LYS A 14 -1.266 15.581 -7.776 1.00 0.00 C ATOM 171 O LYS A 14 -1.048 14.519 -7.195 1.00 0.00 O ATOM 172 CB LYS A 14 0.059 16.332 -9.836 1.00 0.00 C ATOM 173 CG LYS A 14 0.755 17.578 -10.386 1.00 0.00 C ATOM 174 CD LYS A 14 0.184 17.968 -11.751 1.00 0.00 C ATOM 175 CE LYS A 14 1.293 18.432 -12.697 1.00 0.00 C ATOM 176 NZ LYS A 14 1.433 17.492 -13.832 1.00 0.00 N ATOM 0 H LYS A 14 1.755 15.469 -8.211 1.00 0.00 H new ATOM 0 HA LYS A 14 -0.345 17.465 -8.108 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.640 15.445 -10.090 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -0.918 16.219 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 14 0.633 18.405 -9.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.825 17.391 -10.475 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.338 17.117 -12.187 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.551 18.764 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.067 19.431 -13.070 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.236 18.500 -12.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.190 17.822 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.670 16.546 -13.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.537 17.447 -14.358 1.00 0.00 H new ATOM 190 N PRO A 15 -2.504 16.102 -7.990 1.00 0.00 N ATOM 191 CA PRO A 15 -3.697 15.411 -7.530 1.00 0.00 C ATOM 192 C PRO A 15 -4.011 14.207 -8.420 1.00 0.00 C ATOM 193 O PRO A 15 -3.948 14.302 -9.644 1.00 0.00 O ATOM 194 CB PRO A 15 -4.793 16.464 -7.547 1.00 0.00 C ATOM 195 CG PRO A 15 -4.288 17.577 -8.452 1.00 0.00 C ATOM 196 CD PRO A 15 -2.800 17.357 -8.675 1.00 0.00 C ATOM 0 HA PRO A 15 -3.581 14.992 -6.530 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -5.728 16.049 -7.923 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -4.992 16.837 -6.542 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -4.822 17.568 -9.402 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -4.466 18.551 -7.995 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.564 17.294 -9.737 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -2.213 18.179 -8.266 1.00 0.00 H new ATOM 204 N VAL A 16 -4.342 13.101 -7.769 1.00 0.00 N ATOM 205 CA VAL A 16 -4.666 11.880 -8.486 1.00 0.00 C ATOM 206 C VAL A 16 -5.682 12.194 -9.586 1.00 0.00 C ATOM 207 O VAL A 16 -6.475 13.125 -9.457 1.00 0.00 O ATOM 208 CB VAL A 16 -5.158 10.812 -7.506 1.00 0.00 C ATOM 209 CG1 VAL A 16 -3.990 10.208 -6.723 1.00 0.00 C ATOM 210 CG2 VAL A 16 -6.215 11.383 -6.559 1.00 0.00 C ATOM 0 H VAL A 16 -4.393 13.025 -6.753 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.777 11.474 -8.970 1.00 0.00 H new ATOM 0 HB VAL A 16 -5.623 10.014 -8.085 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.366 9.452 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.286 9.748 -7.417 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.485 10.993 -6.160 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -6.548 10.604 -5.873 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.786 12.208 -5.990 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -7.065 11.744 -7.138 1.00 0.00 H new ATOM 220 N THR A 17 -5.625 11.398 -10.644 1.00 0.00 N ATOM 221 CA THR A 17 -6.530 11.579 -11.766 1.00 0.00 C ATOM 222 C THR A 17 -7.224 10.259 -12.111 1.00 0.00 C ATOM 223 O THR A 17 -6.816 9.199 -11.640 1.00 0.00 O ATOM 224 CB THR A 17 -5.729 12.166 -12.930 1.00 0.00 C ATOM 225 OG1 THR A 17 -6.670 12.238 -13.998 1.00 0.00 O ATOM 226 CG2 THR A 17 -4.654 11.207 -13.444 1.00 0.00 C ATOM 0 H THR A 17 -4.966 10.626 -10.748 1.00 0.00 H new ATOM 0 HA THR A 17 -7.331 12.276 -11.519 1.00 0.00 H new ATOM 0 HB THR A 17 -5.262 13.099 -12.615 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.234 12.610 -14.793 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.115 11.673 -14.269 1.00 0.00 H new ATOM 0 HG22 THR A 17 -3.956 10.977 -12.639 1.00 0.00 H new ATOM 0 HG23 THR A 17 -5.123 10.286 -13.791 1.00 0.00 H new ATOM 234 N GLY A 18 -8.260 10.368 -12.929 1.00 0.00 N ATOM 235 CA GLY A 18 -9.014 9.197 -13.342 1.00 0.00 C ATOM 236 C GLY A 18 -8.081 8.019 -13.632 1.00 0.00 C ATOM 237 O GLY A 18 -8.411 6.873 -13.332 1.00 0.00 O ATOM 0 H GLY A 18 -8.595 11.250 -13.317 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.722 8.921 -12.560 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -9.598 9.431 -14.232 1.00 0.00 H new ATOM 241 N GLU A 19 -6.935 8.342 -14.214 1.00 0.00 N ATOM 242 CA GLU A 19 -5.953 7.325 -14.548 1.00 0.00 C ATOM 243 C GLU A 19 -5.474 6.613 -13.282 1.00 0.00 C ATOM 244 O GLU A 19 -5.421 5.385 -13.238 1.00 0.00 O ATOM 245 CB GLU A 19 -4.775 7.931 -15.314 1.00 0.00 C ATOM 246 CG GLU A 19 -4.238 6.951 -16.358 1.00 0.00 C ATOM 247 CD GLU A 19 -3.986 7.655 -17.694 1.00 0.00 C ATOM 248 OE1 GLU A 19 -2.880 8.217 -17.839 1.00 0.00 O ATOM 249 OE2 GLU A 19 -4.906 7.614 -18.539 1.00 0.00 O ATOM 0 H GLU A 19 -6.665 9.294 -14.463 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.428 6.590 -15.198 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -5.090 8.853 -15.803 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.981 8.196 -14.616 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.312 6.503 -15.999 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.951 6.139 -16.500 1.00 0.00 H new ATOM 256 N GLN A 20 -5.139 7.414 -12.281 1.00 0.00 N ATOM 257 CA GLN A 20 -4.666 6.875 -11.017 1.00 0.00 C ATOM 258 C GLN A 20 -5.839 6.321 -10.205 1.00 0.00 C ATOM 259 O GLN A 20 -5.783 5.193 -9.718 1.00 0.00 O ATOM 260 CB GLN A 20 -3.901 7.935 -10.222 1.00 0.00 C ATOM 261 CG GLN A 20 -2.552 8.243 -10.876 1.00 0.00 C ATOM 262 CD GLN A 20 -1.566 8.814 -9.855 1.00 0.00 C ATOM 263 OE1 GLN A 20 -1.569 8.464 -8.687 1.00 0.00 O ATOM 264 NE2 GLN A 20 -0.723 9.711 -10.360 1.00 0.00 N ATOM 0 H GLN A 20 -5.186 8.432 -12.320 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.976 6.057 -11.227 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.495 8.847 -10.159 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.743 7.586 -9.202 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -2.141 7.334 -11.315 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -2.692 8.955 -11.689 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -0.774 9.959 -11.348 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -0.026 10.150 -9.759 1.00 0.00 H new ATOM 273 N ILE A 21 -6.873 7.140 -10.085 1.00 0.00 N ATOM 274 CA ILE A 21 -8.057 6.746 -9.340 1.00 0.00 C ATOM 275 C ILE A 21 -8.369 5.276 -9.628 1.00 0.00 C ATOM 276 O ILE A 21 -8.209 4.422 -8.758 1.00 0.00 O ATOM 277 CB ILE A 21 -9.220 7.693 -9.643 1.00 0.00 C ATOM 278 CG1 ILE A 21 -9.064 9.013 -8.886 1.00 0.00 C ATOM 279 CG2 ILE A 21 -10.564 7.021 -9.352 1.00 0.00 C ATOM 280 CD1 ILE A 21 -10.403 9.744 -8.775 1.00 0.00 C ATOM 0 H ILE A 21 -6.916 8.075 -10.491 1.00 0.00 H new ATOM 0 HA ILE A 21 -7.879 6.830 -8.268 1.00 0.00 H new ATOM 0 HB ILE A 21 -9.201 7.928 -10.707 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.668 8.820 -7.889 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.341 9.647 -9.399 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -11.374 7.715 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -10.668 6.131 -9.972 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -10.609 6.738 -8.300 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.263 10.679 -8.232 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.785 9.957 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -11.116 9.117 -8.240 1.00 0.00 H new ATOM 292 N GLU A 22 -8.810 5.027 -10.852 1.00 0.00 N ATOM 293 CA GLU A 22 -9.147 3.675 -11.266 1.00 0.00 C ATOM 294 C GLU A 22 -8.141 2.677 -10.687 1.00 0.00 C ATOM 295 O GLU A 22 -8.530 1.684 -10.075 1.00 0.00 O ATOM 296 CB GLU A 22 -9.209 3.568 -12.791 1.00 0.00 C ATOM 297 CG GLU A 22 -7.986 4.221 -13.437 1.00 0.00 C ATOM 298 CD GLU A 22 -6.997 3.163 -13.932 1.00 0.00 C ATOM 299 OE1 GLU A 22 -6.973 2.077 -13.315 1.00 0.00 O ATOM 300 OE2 GLU A 22 -6.288 3.466 -14.916 1.00 0.00 O ATOM 0 H GLU A 22 -8.942 5.738 -11.571 1.00 0.00 H new ATOM 0 HA GLU A 22 -10.136 3.432 -10.877 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -9.263 2.519 -13.084 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -10.117 4.048 -13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.302 4.847 -14.271 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -7.495 4.874 -12.716 1.00 0.00 H new ATOM 307 N VAL A 23 -6.869 2.977 -10.900 1.00 0.00 N ATOM 308 CA VAL A 23 -5.805 2.119 -10.407 1.00 0.00 C ATOM 309 C VAL A 23 -5.947 1.956 -8.893 1.00 0.00 C ATOM 310 O VAL A 23 -6.104 0.842 -8.396 1.00 0.00 O ATOM 311 CB VAL A 23 -4.444 2.681 -10.823 1.00 0.00 C ATOM 312 CG1 VAL A 23 -3.350 2.246 -9.846 1.00 0.00 C ATOM 313 CG2 VAL A 23 -4.096 2.271 -12.255 1.00 0.00 C ATOM 0 H VAL A 23 -6.551 3.803 -11.407 1.00 0.00 H new ATOM 0 HA VAL A 23 -5.880 1.126 -10.849 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.507 3.769 -10.793 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.393 2.659 -10.164 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.588 2.611 -8.847 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -3.289 1.158 -9.830 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -3.124 2.683 -12.526 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.061 1.184 -12.324 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.855 2.653 -12.938 1.00 0.00 H new ATOM 323 N PHE A 24 -5.888 3.084 -8.200 1.00 0.00 N ATOM 324 CA PHE A 24 -6.008 3.081 -6.752 1.00 0.00 C ATOM 325 C PHE A 24 -7.190 2.220 -6.302 1.00 0.00 C ATOM 326 O PHE A 24 -7.045 1.369 -5.427 1.00 0.00 O ATOM 327 CB PHE A 24 -6.253 4.528 -6.320 1.00 0.00 C ATOM 328 CG PHE A 24 -5.376 4.986 -5.153 1.00 0.00 C ATOM 329 CD1 PHE A 24 -5.667 4.586 -3.886 1.00 0.00 C ATOM 330 CD2 PHE A 24 -4.305 5.793 -5.382 1.00 0.00 C ATOM 331 CE1 PHE A 24 -4.853 5.011 -2.803 1.00 0.00 C ATOM 332 CE2 PHE A 24 -3.492 6.218 -4.299 1.00 0.00 C ATOM 333 CZ PHE A 24 -3.783 5.818 -3.032 1.00 0.00 C ATOM 0 H PHE A 24 -5.759 4.007 -8.615 1.00 0.00 H new ATOM 0 HA PHE A 24 -5.103 2.671 -6.305 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -6.079 5.185 -7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -7.300 4.640 -6.040 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -6.517 3.945 -3.704 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -4.073 6.110 -6.388 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.084 4.693 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -2.642 6.859 -4.481 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.164 6.141 -2.208 1.00 0.00 H new ATOM 343 N ALA A 25 -8.334 2.472 -6.922 1.00 0.00 N ATOM 344 CA ALA A 25 -9.541 1.731 -6.596 1.00 0.00 C ATOM 345 C ALA A 25 -9.194 0.251 -6.426 1.00 0.00 C ATOM 346 O ALA A 25 -9.331 -0.301 -5.335 1.00 0.00 O ATOM 347 CB ALA A 25 -10.592 1.963 -7.683 1.00 0.00 C ATOM 0 H ALA A 25 -8.450 3.179 -7.648 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.964 2.081 -5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -11.497 1.407 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.824 3.026 -7.744 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.204 1.621 -8.643 1.00 0.00 H new ATOM 353 N ASN A 26 -8.753 -0.350 -7.521 1.00 0.00 N ATOM 354 CA ASN A 26 -8.386 -1.756 -7.507 1.00 0.00 C ATOM 355 C ASN A 26 -7.558 -2.050 -6.255 1.00 0.00 C ATOM 356 O ASN A 26 -7.790 -3.048 -5.573 1.00 0.00 O ATOM 357 CB ASN A 26 -7.539 -2.116 -8.729 1.00 0.00 C ATOM 358 CG ASN A 26 -8.361 -2.015 -10.016 1.00 0.00 C ATOM 359 OD1 ASN A 26 -8.959 -2.973 -10.478 1.00 0.00 O ATOM 360 ND2 ASN A 26 -8.358 -0.804 -10.566 1.00 0.00 N ATOM 0 H ASN A 26 -8.641 0.111 -8.424 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.304 -2.344 -7.518 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.679 -1.449 -8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.150 -3.128 -8.621 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.878 -0.634 -11.427 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.836 -0.046 -10.127 1.00 0.00 H new ATOM 367 N LYS A 27 -6.609 -1.164 -5.990 1.00 0.00 N ATOM 368 CA LYS A 27 -5.746 -1.316 -4.831 1.00 0.00 C ATOM 369 C LYS A 27 -6.588 -1.227 -3.557 1.00 0.00 C ATOM 370 O LYS A 27 -6.610 -2.161 -2.757 1.00 0.00 O ATOM 371 CB LYS A 27 -4.599 -0.305 -4.882 1.00 0.00 C ATOM 372 CG LYS A 27 -3.542 -0.724 -5.906 1.00 0.00 C ATOM 373 CD LYS A 27 -3.064 0.477 -6.723 1.00 0.00 C ATOM 374 CE LYS A 27 -1.550 0.658 -6.598 1.00 0.00 C ATOM 375 NZ LYS A 27 -0.838 -0.412 -7.333 1.00 0.00 N ATOM 0 H LYS A 27 -6.419 -0.338 -6.558 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.275 -2.299 -4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.989 0.680 -5.139 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.141 -0.219 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.695 -1.180 -5.394 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.956 -1.480 -6.573 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.332 0.339 -7.770 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.571 1.379 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.260 1.632 -6.991 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.261 0.640 -5.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.188 -0.275 -7.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.101 -1.338 -6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.101 -0.376 -8.339 1.00 0.00 H new ATOM 389 N LEU A 28 -7.262 -0.096 -3.409 1.00 0.00 N ATOM 390 CA LEU A 28 -8.104 0.126 -2.246 1.00 0.00 C ATOM 391 C LEU A 28 -8.954 -1.120 -1.991 1.00 0.00 C ATOM 392 O LEU A 28 -8.772 -1.804 -0.985 1.00 0.00 O ATOM 393 CB LEU A 28 -8.925 1.406 -2.416 1.00 0.00 C ATOM 394 CG LEU A 28 -9.601 1.942 -1.152 1.00 0.00 C ATOM 395 CD1 LEU A 28 -8.683 1.800 0.063 1.00 0.00 C ATOM 396 CD2 LEU A 28 -10.069 3.385 -1.351 1.00 0.00 C ATOM 0 H LEU A 28 -7.242 0.676 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.492 0.282 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.272 2.183 -2.812 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.694 1.224 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.488 1.339 -0.957 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -9.188 2.188 0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.441 0.748 0.216 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.765 2.362 -0.107 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -10.546 3.742 -0.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.212 4.017 -1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.783 3.426 -2.173 1.00 0.00 H new ATOM 408 N GLY A 29 -9.864 -1.377 -2.919 1.00 0.00 N ATOM 409 CA GLY A 29 -10.742 -2.529 -2.808 1.00 0.00 C ATOM 410 C GLY A 29 -11.863 -2.268 -1.799 1.00 0.00 C ATOM 411 O GLY A 29 -12.626 -1.315 -1.946 1.00 0.00 O ATOM 0 H GLY A 29 -10.012 -0.807 -3.752 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -11.172 -2.759 -3.783 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -10.166 -3.402 -2.500 1.00 0.00 H new ATOM 415 N GLU A 30 -11.926 -3.133 -0.797 1.00 0.00 N ATOM 416 CA GLU A 30 -12.940 -3.008 0.236 1.00 0.00 C ATOM 417 C GLU A 30 -12.435 -2.116 1.372 1.00 0.00 C ATOM 418 O GLU A 30 -13.146 -1.885 2.349 1.00 0.00 O ATOM 419 CB GLU A 30 -13.358 -4.382 0.763 1.00 0.00 C ATOM 420 CG GLU A 30 -12.171 -5.111 1.396 1.00 0.00 C ATOM 421 CD GLU A 30 -11.902 -6.439 0.686 1.00 0.00 C ATOM 422 OE1 GLU A 30 -12.887 -7.179 0.473 1.00 0.00 O ATOM 423 OE2 GLU A 30 -10.717 -6.685 0.372 1.00 0.00 O ATOM 0 H GLU A 30 -11.291 -3.923 -0.679 1.00 0.00 H new ATOM 0 HA GLU A 30 -13.821 -2.540 -0.203 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -14.153 -4.266 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -13.764 -4.980 -0.053 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -11.283 -4.481 1.345 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -12.372 -5.293 2.452 1.00 0.00 H new ATOM 430 N GLN A 31 -11.210 -1.638 1.206 1.00 0.00 N ATOM 431 CA GLN A 31 -10.601 -0.776 2.204 1.00 0.00 C ATOM 432 C GLN A 31 -11.140 0.650 2.074 1.00 0.00 C ATOM 433 O GLN A 31 -10.802 1.521 2.875 1.00 0.00 O ATOM 434 CB GLN A 31 -9.076 -0.798 2.091 1.00 0.00 C ATOM 435 CG GLN A 31 -8.467 -1.794 3.081 1.00 0.00 C ATOM 436 CD GLN A 31 -7.799 -2.958 2.346 1.00 0.00 C ATOM 437 OE1 GLN A 31 -7.743 -3.007 1.129 1.00 0.00 O ATOM 438 NE2 GLN A 31 -7.299 -3.891 3.152 1.00 0.00 N ATOM 0 H GLN A 31 -10.623 -1.832 0.395 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.864 -1.155 3.192 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -8.787 -1.067 1.075 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.679 0.199 2.282 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.734 -1.287 3.708 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -9.244 -2.175 3.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -7.380 -3.788 4.164 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.834 -4.709 2.758 1.00 0.00 H new ATOM 447 N TRP A 32 -11.969 0.845 1.060 1.00 0.00 N ATOM 448 CA TRP A 32 -12.558 2.151 0.815 1.00 0.00 C ATOM 449 C TRP A 32 -13.333 2.563 2.068 1.00 0.00 C ATOM 450 O TRP A 32 -13.406 3.746 2.396 1.00 0.00 O ATOM 451 CB TRP A 32 -13.425 2.134 -0.446 1.00 0.00 C ATOM 452 CG TRP A 32 -14.763 1.413 -0.271 1.00 0.00 C ATOM 453 CD1 TRP A 32 -15.017 0.103 -0.396 1.00 0.00 C ATOM 454 CD2 TRP A 32 -16.028 2.018 0.067 1.00 0.00 C ATOM 455 NE1 TRP A 32 -16.347 -0.179 -0.164 1.00 0.00 N ATOM 456 CE2 TRP A 32 -16.982 1.023 0.127 1.00 0.00 C ATOM 457 CE3 TRP A 32 -16.356 3.363 0.315 1.00 0.00 C ATOM 458 CZ2 TRP A 32 -18.326 1.267 0.433 1.00 0.00 C ATOM 459 CZ3 TRP A 32 -17.703 3.590 0.619 1.00 0.00 C ATOM 460 CH2 TRP A 32 -18.676 2.599 0.683 1.00 0.00 C ATOM 0 H TRP A 32 -12.247 0.121 0.398 1.00 0.00 H new ATOM 0 HA TRP A 32 -11.783 2.894 0.625 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -13.615 3.161 -0.758 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -12.868 1.655 -1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -14.273 -0.639 -0.647 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -16.784 -1.100 -0.199 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -15.626 4.158 0.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -19.054 0.470 0.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -18.008 4.607 0.818 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -19.697 2.856 0.924 1.00 0.00 H new ATOM 471 N LYS A 33 -13.892 1.563 2.734 1.00 0.00 N ATOM 472 CA LYS A 33 -14.659 1.807 3.944 1.00 0.00 C ATOM 473 C LYS A 33 -13.701 2.089 5.102 1.00 0.00 C ATOM 474 O LYS A 33 -14.122 2.543 6.165 1.00 0.00 O ATOM 475 CB LYS A 33 -15.622 0.648 4.210 1.00 0.00 C ATOM 476 CG LYS A 33 -16.938 1.154 4.805 1.00 0.00 C ATOM 477 CD LYS A 33 -18.073 0.161 4.549 1.00 0.00 C ATOM 478 CE LYS A 33 -19.368 0.623 5.219 1.00 0.00 C ATOM 479 NZ LYS A 33 -20.544 0.167 4.445 1.00 0.00 N ATOM 0 H LYS A 33 -13.829 0.583 2.459 1.00 0.00 H new ATOM 0 HA LYS A 33 -15.285 2.691 3.826 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.820 0.115 3.280 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -15.160 -0.064 4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -16.821 1.309 5.878 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.190 2.121 4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.233 0.055 3.476 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.794 -0.822 4.929 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.419 0.230 6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -19.376 1.710 5.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.374 0.736 4.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.355 0.279 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.730 -0.835 4.654 1.00 0.00 H new ATOM 493 N ILE A 34 -12.429 1.808 4.858 1.00 0.00 N ATOM 494 CA ILE A 34 -11.407 2.026 5.867 1.00 0.00 C ATOM 495 C ILE A 34 -10.798 3.417 5.678 1.00 0.00 C ATOM 496 O ILE A 34 -10.309 4.019 6.633 1.00 0.00 O ATOM 497 CB ILE A 34 -10.377 0.895 5.840 1.00 0.00 C ATOM 498 CG1 ILE A 34 -11.063 -0.472 5.889 1.00 0.00 C ATOM 499 CG2 ILE A 34 -9.350 1.061 6.962 1.00 0.00 C ATOM 500 CD1 ILE A 34 -10.033 -1.601 5.950 1.00 0.00 C ATOM 0 H ILE A 34 -12.083 1.431 3.976 1.00 0.00 H new ATOM 0 HA ILE A 34 -11.846 2.002 6.865 1.00 0.00 H new ATOM 0 HB ILE A 34 -9.834 0.950 4.896 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -11.716 -0.524 6.760 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.694 -0.598 5.009 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.630 0.244 6.920 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -8.829 2.011 6.841 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -9.859 1.047 7.926 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -10.547 -2.561 5.984 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.397 -1.561 5.066 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.420 -1.486 6.844 1.00 0.00 H new ATOM 512 N LEU A 35 -10.846 3.886 4.440 1.00 0.00 N ATOM 513 CA LEU A 35 -10.305 5.194 4.114 1.00 0.00 C ATOM 514 C LEU A 35 -11.430 6.230 4.148 1.00 0.00 C ATOM 515 O LEU A 35 -11.172 7.432 4.169 1.00 0.00 O ATOM 516 CB LEU A 35 -9.554 5.146 2.782 1.00 0.00 C ATOM 517 CG LEU A 35 -8.027 5.169 2.871 1.00 0.00 C ATOM 518 CD1 LEU A 35 -7.413 5.782 1.611 1.00 0.00 C ATOM 519 CD2 LEU A 35 -7.563 5.885 4.142 1.00 0.00 C ATOM 0 H LEU A 35 -11.251 3.383 3.650 1.00 0.00 H new ATOM 0 HA LEU A 35 -9.569 5.498 4.858 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -9.853 4.242 2.251 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -9.875 5.993 2.176 1.00 0.00 H new ATOM 0 HG LEU A 35 -7.673 4.140 2.933 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.327 5.786 1.701 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -7.703 5.193 0.741 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -7.771 6.805 1.492 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.474 5.888 4.181 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -7.928 6.912 4.135 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -7.956 5.366 5.016 1.00 0.00 H new ATOM 531 N ALA A 36 -12.656 5.726 4.153 1.00 0.00 N ATOM 532 CA ALA A 36 -13.822 6.592 4.185 1.00 0.00 C ATOM 533 C ALA A 36 -13.797 7.426 5.467 1.00 0.00 C ATOM 534 O ALA A 36 -13.951 8.646 5.422 1.00 0.00 O ATOM 535 CB ALA A 36 -15.090 5.746 4.064 1.00 0.00 C ATOM 0 H ALA A 36 -12.867 4.728 4.135 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.810 7.283 3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -15.965 6.396 4.088 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -15.072 5.196 3.123 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -15.138 5.042 4.895 1.00 0.00 H new ATOM 541 N PRO A 37 -13.597 6.717 6.610 1.00 0.00 N ATOM 542 CA PRO A 37 -13.550 7.379 7.903 1.00 0.00 C ATOM 543 C PRO A 37 -12.226 8.123 8.091 1.00 0.00 C ATOM 544 O PRO A 37 -11.996 8.735 9.133 1.00 0.00 O ATOM 545 CB PRO A 37 -13.758 6.270 8.921 1.00 0.00 C ATOM 546 CG PRO A 37 -13.450 4.972 8.192 1.00 0.00 C ATOM 547 CD PRO A 37 -13.410 5.272 6.702 1.00 0.00 C ATOM 0 HA PRO A 37 -14.315 8.148 8.010 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.101 6.401 9.781 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -14.781 6.273 9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.495 4.564 8.525 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -14.210 4.222 8.410 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -12.461 4.967 6.262 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -14.195 4.736 6.169 1.00 0.00 H new ATOM 555 N TYR A 38 -11.390 8.044 7.066 1.00 0.00 N ATOM 556 CA TYR A 38 -10.095 8.702 7.105 1.00 0.00 C ATOM 557 C TYR A 38 -9.957 9.710 5.963 1.00 0.00 C ATOM 558 O TYR A 38 -8.949 10.408 5.864 1.00 0.00 O ATOM 559 CB TYR A 38 -9.054 7.596 6.921 1.00 0.00 C ATOM 560 CG TYR A 38 -8.670 6.881 8.218 1.00 0.00 C ATOM 561 CD1 TYR A 38 -9.563 6.019 8.822 1.00 0.00 C ATOM 562 CD2 TYR A 38 -7.430 7.098 8.785 1.00 0.00 C ATOM 563 CE1 TYR A 38 -9.201 5.346 10.043 1.00 0.00 C ATOM 564 CE2 TYR A 38 -7.069 6.426 10.005 1.00 0.00 C ATOM 565 CZ TYR A 38 -7.972 5.583 10.574 1.00 0.00 C ATOM 566 OH TYR A 38 -7.630 4.948 11.727 1.00 0.00 O ATOM 0 H TYR A 38 -11.584 7.535 6.204 1.00 0.00 H new ATOM 0 HA TYR A 38 -9.969 9.244 8.042 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -9.440 6.862 6.214 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -8.157 8.026 6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -10.533 5.849 8.379 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -6.731 7.772 8.313 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -9.890 4.669 10.526 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.102 6.587 10.459 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.723 5.212 11.989 1.00 0.00 H new ATOM 576 N LEU A 39 -10.985 9.755 5.128 1.00 0.00 N ATOM 577 CA LEU A 39 -10.992 10.666 3.996 1.00 0.00 C ATOM 578 C LEU A 39 -11.946 11.826 4.287 1.00 0.00 C ATOM 579 O LEU A 39 -12.151 12.693 3.438 1.00 0.00 O ATOM 580 CB LEU A 39 -11.314 9.913 2.704 1.00 0.00 C ATOM 581 CG LEU A 39 -10.112 9.399 1.910 1.00 0.00 C ATOM 582 CD1 LEU A 39 -9.073 8.766 2.837 1.00 0.00 C ATOM 583 CD2 LEU A 39 -10.555 8.438 0.805 1.00 0.00 C ATOM 0 H LEU A 39 -11.820 9.175 5.213 1.00 0.00 H new ATOM 0 HA LEU A 39 -10.002 11.097 3.847 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -11.951 9.064 2.951 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.896 10.571 2.059 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.634 10.250 1.424 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.229 8.409 2.247 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.726 9.509 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.523 7.929 3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.681 8.087 0.256 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.071 7.586 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -11.229 8.955 0.122 1.00 0.00 H new ATOM 595 N GLU A 40 -12.503 11.806 5.489 1.00 0.00 N ATOM 596 CA GLU A 40 -13.431 12.845 5.901 1.00 0.00 C ATOM 597 C GLU A 40 -14.719 12.763 5.080 1.00 0.00 C ATOM 598 O GLU A 40 -15.194 13.772 4.560 1.00 0.00 O ATOM 599 CB GLU A 40 -12.791 14.230 5.782 1.00 0.00 C ATOM 600 CG GLU A 40 -11.393 14.244 6.403 1.00 0.00 C ATOM 601 CD GLU A 40 -10.829 15.665 6.450 1.00 0.00 C ATOM 602 OE1 GLU A 40 -11.382 16.469 7.231 1.00 0.00 O ATOM 603 OE2 GLU A 40 -9.857 15.915 5.705 1.00 0.00 O ATOM 0 H GLU A 40 -12.329 11.086 6.191 1.00 0.00 H new ATOM 0 HA GLU A 40 -13.682 12.686 6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -12.729 14.517 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.420 14.969 6.278 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.435 13.832 7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.727 13.604 5.824 1.00 0.00 H new ATOM 610 N MET A 41 -15.249 11.553 4.989 1.00 0.00 N ATOM 611 CA MET A 41 -16.474 11.326 4.240 1.00 0.00 C ATOM 612 C MET A 41 -17.704 11.523 5.127 1.00 0.00 C ATOM 613 O MET A 41 -17.582 11.932 6.281 1.00 0.00 O ATOM 614 CB MET A 41 -16.472 9.903 3.678 1.00 0.00 C ATOM 615 CG MET A 41 -15.461 9.764 2.538 1.00 0.00 C ATOM 616 SD MET A 41 -16.281 9.974 0.966 1.00 0.00 S ATOM 617 CE MET A 41 -15.426 11.420 0.361 1.00 0.00 C ATOM 0 H MET A 41 -14.853 10.718 5.422 1.00 0.00 H new ATOM 0 HA MET A 41 -16.518 12.048 3.425 1.00 0.00 H new ATOM 0 HB2 MET A 41 -16.230 9.195 4.471 1.00 0.00 H new ATOM 0 HB3 MET A 41 -17.469 9.649 3.317 1.00 0.00 H new ATOM 0 HG2 MET A 41 -14.672 10.508 2.648 1.00 0.00 H new ATOM 0 HG3 MET A 41 -14.984 8.785 2.581 1.00 0.00 H new ATOM 0 HE1 MET A 41 -16.130 12.067 -0.163 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.990 11.962 1.200 1.00 0.00 H new ATOM 0 HE3 MET A 41 -14.635 11.115 -0.324 1.00 0.00 H new ATOM 627 N LYS A 42 -18.861 11.224 4.555 1.00 0.00 N ATOM 628 CA LYS A 42 -20.113 11.364 5.280 1.00 0.00 C ATOM 629 C LYS A 42 -20.818 10.007 5.337 1.00 0.00 C ATOM 630 O LYS A 42 -20.854 9.280 4.346 1.00 0.00 O ATOM 631 CB LYS A 42 -20.966 12.475 4.666 1.00 0.00 C ATOM 632 CG LYS A 42 -20.193 13.794 4.611 1.00 0.00 C ATOM 633 CD LYS A 42 -20.493 14.657 5.838 1.00 0.00 C ATOM 634 CE LYS A 42 -19.587 15.890 5.876 1.00 0.00 C ATOM 635 NZ LYS A 42 -20.275 17.018 6.542 1.00 0.00 N ATOM 0 H LYS A 42 -18.958 10.885 3.598 1.00 0.00 H new ATOM 0 HA LYS A 42 -19.926 11.670 6.309 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -21.274 12.188 3.661 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -21.875 12.607 5.253 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -19.123 13.591 4.558 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -20.460 14.338 3.705 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -21.537 14.969 5.821 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -20.351 14.069 6.744 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -18.665 15.655 6.407 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -19.307 16.175 4.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.647 17.846 6.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -21.143 17.253 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -20.520 16.749 7.516 1.00 0.00 H new ATOM 649 N ASP A 43 -21.360 9.707 6.508 1.00 0.00 N ATOM 650 CA ASP A 43 -22.062 8.451 6.708 1.00 0.00 C ATOM 651 C ASP A 43 -22.932 8.157 5.484 1.00 0.00 C ATOM 652 O ASP A 43 -22.962 7.028 4.996 1.00 0.00 O ATOM 653 CB ASP A 43 -22.977 8.519 7.932 1.00 0.00 C ATOM 654 CG ASP A 43 -24.120 7.502 7.943 1.00 0.00 C ATOM 655 OD1 ASP A 43 -23.812 6.304 8.125 1.00 0.00 O ATOM 656 OD2 ASP A 43 -25.276 7.945 7.770 1.00 0.00 O ATOM 0 H ASP A 43 -21.327 10.312 7.328 1.00 0.00 H new ATOM 0 HA ASP A 43 -21.317 7.670 6.858 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -22.372 8.373 8.827 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -23.402 9.521 7.994 1.00 0.00 H new ATOM 661 N SER A 44 -23.617 9.193 5.023 1.00 0.00 N ATOM 662 CA SER A 44 -24.485 9.060 3.865 1.00 0.00 C ATOM 663 C SER A 44 -23.651 8.760 2.618 1.00 0.00 C ATOM 664 O SER A 44 -23.891 7.769 1.930 1.00 0.00 O ATOM 665 CB SER A 44 -25.319 10.326 3.654 1.00 0.00 C ATOM 666 OG SER A 44 -26.159 10.226 2.507 1.00 0.00 O ATOM 0 H SER A 44 -23.589 10.128 5.430 1.00 0.00 H new ATOM 0 HA SER A 44 -25.170 8.231 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 44 -25.931 10.508 4.537 1.00 0.00 H new ATOM 0 HB3 SER A 44 -24.655 11.183 3.544 1.00 0.00 H new ATOM 0 HG SER A 44 -26.676 11.052 2.407 1.00 0.00 H new ATOM 672 N GLU A 45 -22.688 9.634 2.364 1.00 0.00 N ATOM 673 CA GLU A 45 -21.818 9.475 1.211 1.00 0.00 C ATOM 674 C GLU A 45 -21.415 8.008 1.049 1.00 0.00 C ATOM 675 O GLU A 45 -21.643 7.411 -0.002 1.00 0.00 O ATOM 676 CB GLU A 45 -20.584 10.372 1.328 1.00 0.00 C ATOM 677 CG GLU A 45 -20.778 11.675 0.550 1.00 0.00 C ATOM 678 CD GLU A 45 -21.926 12.499 1.138 1.00 0.00 C ATOM 679 OE1 GLU A 45 -23.062 11.980 1.125 1.00 0.00 O ATOM 680 OE2 GLU A 45 -21.640 13.630 1.587 1.00 0.00 O ATOM 0 H GLU A 45 -22.491 10.455 2.937 1.00 0.00 H new ATOM 0 HA GLU A 45 -22.367 9.782 0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -20.391 10.596 2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.709 9.844 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -19.857 12.258 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -20.985 11.451 -0.496 1.00 0.00 H new ATOM 687 N ILE A 46 -20.824 7.469 2.105 1.00 0.00 N ATOM 688 CA ILE A 46 -20.388 6.083 2.093 1.00 0.00 C ATOM 689 C ILE A 46 -21.555 5.189 1.669 1.00 0.00 C ATOM 690 O ILE A 46 -21.379 4.271 0.870 1.00 0.00 O ATOM 691 CB ILE A 46 -19.779 5.701 3.444 1.00 0.00 C ATOM 692 CG1 ILE A 46 -18.569 6.579 3.769 1.00 0.00 C ATOM 693 CG2 ILE A 46 -19.434 4.211 3.488 1.00 0.00 C ATOM 694 CD1 ILE A 46 -18.194 6.470 5.248 1.00 0.00 C ATOM 0 H ILE A 46 -20.637 7.967 2.975 1.00 0.00 H new ATOM 0 HA ILE A 46 -19.594 5.940 1.360 1.00 0.00 H new ATOM 0 HB ILE A 46 -20.525 5.882 4.218 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -17.722 6.279 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -18.792 7.617 3.522 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -19.003 3.966 4.459 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -20.339 3.623 3.334 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -18.714 3.981 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -17.331 7.104 5.452 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -19.035 6.793 5.861 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -17.948 5.435 5.486 1.00 0.00 H new ATOM 706 N ARG A 47 -22.720 5.490 2.223 1.00 0.00 N ATOM 707 CA ARG A 47 -23.916 4.725 1.912 1.00 0.00 C ATOM 708 C ARG A 47 -24.311 4.929 0.448 1.00 0.00 C ATOM 709 O ARG A 47 -24.847 4.022 -0.187 1.00 0.00 O ATOM 710 CB ARG A 47 -25.083 5.139 2.810 1.00 0.00 C ATOM 711 CG ARG A 47 -24.946 4.524 4.205 1.00 0.00 C ATOM 712 CD ARG A 47 -26.261 3.881 4.652 1.00 0.00 C ATOM 713 NE ARG A 47 -25.990 2.806 5.632 1.00 0.00 N ATOM 714 CZ ARG A 47 -26.942 2.151 6.311 1.00 0.00 C ATOM 715 NH1 ARG A 47 -28.233 2.458 6.119 1.00 0.00 N ATOM 716 NH2 ARG A 47 -26.604 1.190 7.181 1.00 0.00 N ATOM 0 H ARG A 47 -22.862 6.253 2.885 1.00 0.00 H new ATOM 0 HA ARG A 47 -23.692 3.673 2.088 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -25.118 6.226 2.889 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -26.024 4.822 2.360 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -24.154 3.775 4.200 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -24.652 5.294 4.919 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -26.911 4.634 5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -26.788 3.474 3.789 1.00 0.00 H new ATOM 0 HE ARG A 47 -25.018 2.547 5.801 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -28.490 3.190 5.456 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -28.958 1.960 6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -25.622 0.957 7.327 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -27.329 0.692 7.698 1.00 0.00 H new ATOM 730 N GLN A 48 -24.030 6.126 -0.046 1.00 0.00 N ATOM 731 CA GLN A 48 -24.350 6.461 -1.424 1.00 0.00 C ATOM 732 C GLN A 48 -23.508 5.617 -2.384 1.00 0.00 C ATOM 733 O GLN A 48 -24.049 4.920 -3.240 1.00 0.00 O ATOM 734 CB GLN A 48 -24.148 7.955 -1.686 1.00 0.00 C ATOM 735 CG GLN A 48 -23.952 8.228 -3.179 1.00 0.00 C ATOM 736 CD GLN A 48 -25.200 7.842 -3.975 1.00 0.00 C ATOM 737 OE1 GLN A 48 -25.144 7.106 -4.947 1.00 0.00 O ATOM 738 NE2 GLN A 48 -26.325 8.377 -3.511 1.00 0.00 N ATOM 0 H GLN A 48 -23.584 6.876 0.483 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.402 6.234 -1.598 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -25.011 8.512 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -23.281 8.311 -1.130 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -23.730 9.284 -3.333 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -23.094 7.665 -3.546 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -26.301 8.985 -2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -27.212 8.180 -3.974 1.00 0.00 H new ATOM 747 N ILE A 49 -22.198 5.709 -2.208 1.00 0.00 N ATOM 748 CA ILE A 49 -21.277 4.962 -3.048 1.00 0.00 C ATOM 749 C ILE A 49 -21.800 3.536 -3.229 1.00 0.00 C ATOM 750 O ILE A 49 -22.251 3.170 -4.313 1.00 0.00 O ATOM 751 CB ILE A 49 -19.858 5.030 -2.479 1.00 0.00 C ATOM 752 CG1 ILE A 49 -19.296 6.450 -2.575 1.00 0.00 C ATOM 753 CG2 ILE A 49 -18.946 4.005 -3.156 1.00 0.00 C ATOM 754 CD1 ILE A 49 -18.308 6.726 -1.439 1.00 0.00 C ATOM 0 H ILE A 49 -21.753 6.289 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 49 -21.219 5.408 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 49 -19.902 4.772 -1.421 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -18.798 6.584 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -20.112 7.172 -2.536 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -17.944 4.074 -2.733 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -19.341 3.002 -2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -18.903 4.207 -4.226 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.923 7.742 -1.530 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.815 6.615 -0.481 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.481 6.018 -1.496 1.00 0.00 H new ATOM 766 N GLU A 50 -21.721 2.770 -2.151 1.00 0.00 N ATOM 767 CA GLU A 50 -22.180 1.392 -2.178 1.00 0.00 C ATOM 768 C GLU A 50 -23.443 1.269 -3.033 1.00 0.00 C ATOM 769 O GLU A 50 -23.513 0.426 -3.926 1.00 0.00 O ATOM 770 CB GLU A 50 -22.425 0.868 -0.761 1.00 0.00 C ATOM 771 CG GLU A 50 -21.497 -0.307 -0.443 1.00 0.00 C ATOM 772 CD GLU A 50 -21.587 -0.691 1.036 1.00 0.00 C ATOM 773 OE1 GLU A 50 -21.194 0.155 1.867 1.00 0.00 O ATOM 774 OE2 GLU A 50 -22.048 -1.823 1.300 1.00 0.00 O ATOM 0 H GLU A 50 -21.346 3.077 -1.254 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.399 0.779 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.263 1.669 -0.040 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.464 0.553 -0.660 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -21.764 -1.164 -1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -20.470 -0.041 -0.692 1.00 0.00 H new ATOM 781 N CYS A 51 -24.410 2.123 -2.730 1.00 0.00 N ATOM 782 CA CYS A 51 -25.666 2.121 -3.459 1.00 0.00 C ATOM 783 C CYS A 51 -25.354 2.237 -4.953 1.00 0.00 C ATOM 784 O CYS A 51 -25.814 1.422 -5.751 1.00 0.00 O ATOM 785 CB CYS A 51 -26.599 3.237 -2.983 1.00 0.00 C ATOM 786 SG CYS A 51 -28.242 3.056 -3.768 1.00 0.00 S ATOM 0 H CYS A 51 -24.348 2.821 -1.989 1.00 0.00 H new ATOM 0 HA CYS A 51 -26.197 1.188 -3.270 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -26.699 3.201 -1.898 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -26.173 4.209 -3.231 1.00 0.00 H new ATOM 0 HG CYS A 51 -29.027 4.007 -3.356 1.00 0.00 H new ATOM 792 N ASP A 52 -24.575 3.256 -5.285 1.00 0.00 N ATOM 793 CA ASP A 52 -24.197 3.489 -6.668 1.00 0.00 C ATOM 794 C ASP A 52 -23.776 2.164 -7.307 1.00 0.00 C ATOM 795 O ASP A 52 -24.397 1.709 -8.266 1.00 0.00 O ATOM 796 CB ASP A 52 -23.014 4.455 -6.760 1.00 0.00 C ATOM 797 CG ASP A 52 -23.218 5.639 -7.708 1.00 0.00 C ATOM 798 OD1 ASP A 52 -24.009 6.533 -7.338 1.00 0.00 O ATOM 799 OD2 ASP A 52 -22.578 5.623 -8.782 1.00 0.00 O ATOM 0 H ASP A 52 -24.195 3.930 -4.620 1.00 0.00 H new ATOM 0 HA ASP A 52 -25.055 3.919 -7.185 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -22.800 4.840 -5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -22.134 3.898 -7.082 1.00 0.00 H new ATOM 804 N SER A 53 -22.724 1.583 -6.750 1.00 0.00 N ATOM 805 CA SER A 53 -22.213 0.319 -7.254 1.00 0.00 C ATOM 806 C SER A 53 -21.889 -0.616 -6.087 1.00 0.00 C ATOM 807 O SER A 53 -21.439 -0.168 -5.034 1.00 0.00 O ATOM 808 CB SER A 53 -20.972 0.534 -8.123 1.00 0.00 C ATOM 809 OG SER A 53 -21.252 1.342 -9.263 1.00 0.00 O ATOM 0 H SER A 53 -22.211 1.964 -5.955 1.00 0.00 H new ATOM 0 HA SER A 53 -22.983 -0.139 -7.875 1.00 0.00 H new ATOM 0 HB2 SER A 53 -20.190 1.005 -7.528 1.00 0.00 H new ATOM 0 HB3 SER A 53 -20.586 -0.432 -8.449 1.00 0.00 H new ATOM 0 HG SER A 53 -22.217 1.504 -9.320 1.00 0.00 H new ATOM 815 N GLU A 54 -22.129 -1.899 -6.315 1.00 0.00 N ATOM 816 CA GLU A 54 -21.868 -2.901 -5.296 1.00 0.00 C ATOM 817 C GLU A 54 -20.587 -3.671 -5.624 1.00 0.00 C ATOM 818 O GLU A 54 -20.475 -4.856 -5.317 1.00 0.00 O ATOM 819 CB GLU A 54 -23.056 -3.854 -5.147 1.00 0.00 C ATOM 820 CG GLU A 54 -23.265 -4.674 -6.422 1.00 0.00 C ATOM 821 CD GLU A 54 -23.757 -6.084 -6.092 1.00 0.00 C ATOM 822 OE1 GLU A 54 -22.886 -6.956 -5.886 1.00 0.00 O ATOM 823 OE2 GLU A 54 -24.994 -6.259 -6.053 1.00 0.00 O ATOM 0 H GLU A 54 -22.501 -2.267 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 54 -21.729 -2.392 -4.342 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -22.886 -4.523 -4.304 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -23.958 -3.284 -4.925 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -23.988 -4.174 -7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -22.330 -4.732 -6.979 1.00 0.00 H new ATOM 830 N ASP A 55 -19.653 -2.964 -6.243 1.00 0.00 N ATOM 831 CA ASP A 55 -18.383 -3.565 -6.615 1.00 0.00 C ATOM 832 C ASP A 55 -17.257 -2.903 -5.820 1.00 0.00 C ATOM 833 O ASP A 55 -17.031 -1.700 -5.942 1.00 0.00 O ATOM 834 CB ASP A 55 -18.094 -3.363 -8.104 1.00 0.00 C ATOM 835 CG ASP A 55 -17.356 -4.519 -8.782 1.00 0.00 C ATOM 836 OD1 ASP A 55 -17.901 -5.643 -8.739 1.00 0.00 O ATOM 837 OD2 ASP A 55 -16.264 -4.252 -9.329 1.00 0.00 O ATOM 0 H ASP A 55 -19.750 -1.981 -6.496 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.439 -4.632 -6.400 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -19.038 -3.200 -8.623 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -17.504 -2.455 -8.224 1.00 0.00 H new ATOM 842 N MET A 56 -16.580 -3.716 -5.024 1.00 0.00 N ATOM 843 CA MET A 56 -15.482 -3.224 -4.209 1.00 0.00 C ATOM 844 C MET A 56 -14.659 -2.182 -4.969 1.00 0.00 C ATOM 845 O MET A 56 -14.381 -1.104 -4.447 1.00 0.00 O ATOM 846 CB MET A 56 -14.580 -4.393 -3.807 1.00 0.00 C ATOM 847 CG MET A 56 -14.953 -4.921 -2.421 1.00 0.00 C ATOM 848 SD MET A 56 -16.329 -6.051 -2.548 1.00 0.00 S ATOM 849 CE MET A 56 -17.577 -5.119 -1.676 1.00 0.00 C ATOM 0 H MET A 56 -16.770 -4.713 -4.926 1.00 0.00 H new ATOM 0 HA MET A 56 -15.898 -2.752 -3.319 1.00 0.00 H new ATOM 0 HB2 MET A 56 -14.668 -5.194 -4.541 1.00 0.00 H new ATOM 0 HB3 MET A 56 -13.539 -4.071 -3.809 1.00 0.00 H new ATOM 0 HG2 MET A 56 -14.097 -5.426 -1.973 1.00 0.00 H new ATOM 0 HG3 MET A 56 -15.213 -4.091 -1.764 1.00 0.00 H new ATOM 0 HE1 MET A 56 -18.562 -5.521 -1.912 1.00 0.00 H new ATOM 0 HE2 MET A 56 -17.402 -5.192 -0.603 1.00 0.00 H new ATOM 0 HE3 MET A 56 -17.529 -4.073 -1.981 1.00 0.00 H new ATOM 859 N LYS A 57 -14.294 -2.540 -6.191 1.00 0.00 N ATOM 860 CA LYS A 57 -13.508 -1.649 -7.029 1.00 0.00 C ATOM 861 C LYS A 57 -14.241 -0.314 -7.173 1.00 0.00 C ATOM 862 O LYS A 57 -13.730 0.727 -6.762 1.00 0.00 O ATOM 863 CB LYS A 57 -13.182 -2.319 -8.365 1.00 0.00 C ATOM 864 CG LYS A 57 -12.365 -3.595 -8.154 1.00 0.00 C ATOM 865 CD LYS A 57 -12.012 -4.248 -9.491 1.00 0.00 C ATOM 866 CE LYS A 57 -11.577 -5.702 -9.294 1.00 0.00 C ATOM 867 NZ LYS A 57 -12.042 -6.539 -10.422 1.00 0.00 N ATOM 0 H LYS A 57 -14.528 -3.435 -6.621 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.546 -1.437 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -14.106 -2.558 -8.891 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -12.625 -1.627 -8.997 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -11.451 -3.360 -7.608 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -12.931 -4.296 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -12.874 -4.210 -10.157 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -11.211 -3.687 -9.973 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.491 -5.756 -9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.982 -6.085 -8.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.739 -7.522 -10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.080 -6.502 -10.477 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.635 -6.182 -11.310 1.00 0.00 H new ATOM 881 N MET A 58 -15.428 -0.387 -7.759 1.00 0.00 N ATOM 882 CA MET A 58 -16.236 0.803 -7.963 1.00 0.00 C ATOM 883 C MET A 58 -16.312 1.640 -6.684 1.00 0.00 C ATOM 884 O MET A 58 -15.946 2.815 -6.684 1.00 0.00 O ATOM 885 CB MET A 58 -17.647 0.395 -8.391 1.00 0.00 C ATOM 886 CG MET A 58 -17.623 -0.334 -9.735 1.00 0.00 C ATOM 887 SD MET A 58 -17.070 0.774 -11.021 1.00 0.00 S ATOM 888 CE MET A 58 -18.504 1.828 -11.160 1.00 0.00 C ATOM 0 H MET A 58 -15.849 -1.252 -8.099 1.00 0.00 H new ATOM 0 HA MET A 58 -15.771 1.406 -8.743 1.00 0.00 H new ATOM 0 HB2 MET A 58 -18.089 -0.250 -7.631 1.00 0.00 H new ATOM 0 HB3 MET A 58 -18.279 1.280 -8.465 1.00 0.00 H new ATOM 0 HG2 MET A 58 -16.960 -1.198 -9.678 1.00 0.00 H new ATOM 0 HG3 MET A 58 -18.618 -0.711 -9.971 1.00 0.00 H new ATOM 0 HE1 MET A 58 -18.509 2.308 -12.138 1.00 0.00 H new ATOM 0 HE2 MET A 58 -19.408 1.230 -11.045 1.00 0.00 H new ATOM 0 HE3 MET A 58 -18.472 2.590 -10.382 1.00 0.00 H new ATOM 898 N ARG A 59 -16.788 1.003 -5.625 1.00 0.00 N ATOM 899 CA ARG A 59 -16.917 1.674 -4.343 1.00 0.00 C ATOM 900 C ARG A 59 -15.696 2.559 -4.083 1.00 0.00 C ATOM 901 O ARG A 59 -15.830 3.767 -3.894 1.00 0.00 O ATOM 902 CB ARG A 59 -17.057 0.662 -3.203 1.00 0.00 C ATOM 903 CG ARG A 59 -18.298 -0.211 -3.395 1.00 0.00 C ATOM 904 CD ARG A 59 -18.515 -1.129 -2.190 1.00 0.00 C ATOM 905 NE ARG A 59 -19.716 -1.966 -2.401 1.00 0.00 N ATOM 906 CZ ARG A 59 -20.145 -2.896 -1.536 1.00 0.00 C ATOM 907 NH1 ARG A 59 -19.473 -3.113 -0.397 1.00 0.00 N ATOM 908 NH2 ARG A 59 -21.246 -3.609 -1.810 1.00 0.00 N ATOM 0 H ARG A 59 -17.089 0.029 -5.628 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.816 2.290 -4.379 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -16.168 0.032 -3.160 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -17.122 1.188 -2.251 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -19.174 0.422 -3.537 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -18.189 -0.811 -4.299 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -17.641 -1.763 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.631 -0.533 -1.285 1.00 0.00 H new ATOM 0 HE ARG A 59 -20.251 -1.827 -3.258 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -18.635 -2.570 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -19.800 -3.821 0.261 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -21.758 -3.444 -2.677 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -21.572 -4.317 -1.152 1.00 0.00 H new ATOM 922 N ALA A 60 -14.534 1.924 -4.081 1.00 0.00 N ATOM 923 CA ALA A 60 -13.291 2.639 -3.847 1.00 0.00 C ATOM 924 C ALA A 60 -13.178 3.797 -4.841 1.00 0.00 C ATOM 925 O ALA A 60 -13.074 4.955 -4.440 1.00 0.00 O ATOM 926 CB ALA A 60 -12.114 1.665 -3.951 1.00 0.00 C ATOM 0 H ALA A 60 -14.427 0.922 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 60 -13.276 3.063 -2.843 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -11.181 2.201 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -12.226 0.878 -3.205 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -12.096 1.221 -4.947 1.00 0.00 H new ATOM 932 N LYS A 61 -13.204 3.443 -6.117 1.00 0.00 N ATOM 933 CA LYS A 61 -13.107 4.439 -7.171 1.00 0.00 C ATOM 934 C LYS A 61 -14.017 5.622 -6.835 1.00 0.00 C ATOM 935 O LYS A 61 -13.573 6.769 -6.825 1.00 0.00 O ATOM 936 CB LYS A 61 -13.397 3.807 -8.534 1.00 0.00 C ATOM 937 CG LYS A 61 -13.136 4.802 -9.667 1.00 0.00 C ATOM 938 CD LYS A 61 -14.267 4.769 -10.697 1.00 0.00 C ATOM 939 CE LYS A 61 -13.809 5.357 -12.033 1.00 0.00 C ATOM 940 NZ LYS A 61 -14.596 6.566 -12.364 1.00 0.00 N ATOM 0 H LYS A 61 -13.291 2.481 -6.445 1.00 0.00 H new ATOM 0 HA LYS A 61 -12.091 4.827 -7.236 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -12.772 2.924 -8.670 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -14.434 3.473 -8.571 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -13.041 5.808 -9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -12.190 4.565 -10.153 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -14.601 3.742 -10.843 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -15.122 5.332 -10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -12.750 5.608 -11.982 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -13.923 4.614 -12.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -14.272 6.953 -13.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -15.603 6.317 -12.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -14.466 7.280 -11.619 1.00 0.00 H new ATOM 954 N GLN A 62 -15.275 5.302 -6.569 1.00 0.00 N ATOM 955 CA GLN A 62 -16.252 6.324 -6.234 1.00 0.00 C ATOM 956 C GLN A 62 -15.737 7.194 -5.086 1.00 0.00 C ATOM 957 O GLN A 62 -15.809 8.421 -5.151 1.00 0.00 O ATOM 958 CB GLN A 62 -17.603 5.697 -5.883 1.00 0.00 C ATOM 959 CG GLN A 62 -18.282 5.124 -7.129 1.00 0.00 C ATOM 960 CD GLN A 62 -19.496 5.966 -7.528 1.00 0.00 C ATOM 961 OE1 GLN A 62 -20.638 5.563 -7.384 1.00 0.00 O ATOM 962 NE2 GLN A 62 -19.186 7.156 -8.036 1.00 0.00 N ATOM 0 H GLN A 62 -15.640 4.350 -6.579 1.00 0.00 H new ATOM 0 HA GLN A 62 -16.399 6.959 -7.108 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -17.461 4.907 -5.146 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -18.248 6.447 -5.425 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -17.570 5.093 -7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -18.594 4.097 -6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -18.208 7.432 -8.129 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -19.926 7.793 -8.332 1.00 0.00 H new ATOM 971 N LEU A 63 -15.229 6.526 -4.061 1.00 0.00 N ATOM 972 CA LEU A 63 -14.702 7.223 -2.900 1.00 0.00 C ATOM 973 C LEU A 63 -13.582 8.167 -3.343 1.00 0.00 C ATOM 974 O LEU A 63 -13.571 9.340 -2.973 1.00 0.00 O ATOM 975 CB LEU A 63 -14.275 6.224 -1.823 1.00 0.00 C ATOM 976 CG LEU A 63 -13.509 6.807 -0.634 1.00 0.00 C ATOM 977 CD1 LEU A 63 -14.324 7.898 0.062 1.00 0.00 C ATOM 978 CD2 LEU A 63 -13.081 5.704 0.336 1.00 0.00 C ATOM 0 H LEU A 63 -15.171 5.509 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.476 7.839 -2.441 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -15.167 5.724 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -13.654 5.459 -2.290 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.600 7.276 -1.010 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -13.756 8.295 0.903 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -14.536 8.701 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -15.262 7.477 0.424 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.538 6.145 1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.964 5.185 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.435 4.995 -0.182 1.00 0.00 H new ATOM 990 N LEU A 64 -12.666 7.619 -4.128 1.00 0.00 N ATOM 991 CA LEU A 64 -11.544 8.397 -4.624 1.00 0.00 C ATOM 992 C LEU A 64 -12.070 9.621 -5.377 1.00 0.00 C ATOM 993 O LEU A 64 -11.561 10.727 -5.204 1.00 0.00 O ATOM 994 CB LEU A 64 -10.609 7.518 -5.458 1.00 0.00 C ATOM 995 CG LEU A 64 -9.709 6.563 -4.671 1.00 0.00 C ATOM 996 CD1 LEU A 64 -9.919 6.726 -3.165 1.00 0.00 C ATOM 997 CD2 LEU A 64 -9.916 5.116 -5.125 1.00 0.00 C ATOM 0 H LEU A 64 -12.678 6.646 -4.433 1.00 0.00 H new ATOM 0 HA LEU A 64 -10.941 8.767 -3.794 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.214 6.930 -6.148 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.976 8.167 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.671 6.822 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.267 6.035 -2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.682 7.749 -2.873 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.958 6.510 -2.917 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.265 4.458 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.955 4.829 -4.964 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.676 5.029 -6.185 1.00 0.00 H new ATOM 1009 N VAL A 65 -13.083 9.381 -6.197 1.00 0.00 N ATOM 1010 CA VAL A 65 -13.685 10.449 -6.976 1.00 0.00 C ATOM 1011 C VAL A 65 -14.247 11.511 -6.030 1.00 0.00 C ATOM 1012 O VAL A 65 -13.826 12.666 -6.066 1.00 0.00 O ATOM 1013 CB VAL A 65 -14.739 9.875 -7.925 1.00 0.00 C ATOM 1014 CG1 VAL A 65 -15.249 10.947 -8.890 1.00 0.00 C ATOM 1015 CG2 VAL A 65 -14.191 8.667 -8.688 1.00 0.00 C ATOM 0 H VAL A 65 -13.502 8.462 -6.339 1.00 0.00 H new ATOM 0 HA VAL A 65 -12.935 10.935 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 65 -15.582 9.536 -7.323 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -15.997 10.513 -9.554 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -15.697 11.763 -8.323 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -14.417 11.329 -9.482 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -14.960 8.279 -9.355 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -13.322 8.970 -9.273 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -13.899 7.891 -7.980 1.00 0.00 H new ATOM 1025 N ALA A 66 -15.191 11.082 -5.204 1.00 0.00 N ATOM 1026 CA ALA A 66 -15.815 11.981 -4.249 1.00 0.00 C ATOM 1027 C ALA A 66 -14.736 12.612 -3.367 1.00 0.00 C ATOM 1028 O ALA A 66 -14.850 13.772 -2.973 1.00 0.00 O ATOM 1029 CB ALA A 66 -16.860 11.216 -3.434 1.00 0.00 C ATOM 0 H ALA A 66 -15.538 10.123 -5.177 1.00 0.00 H new ATOM 0 HA ALA A 66 -16.332 12.789 -4.766 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -17.328 11.891 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -17.620 10.814 -4.103 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -16.377 10.398 -2.900 1.00 0.00 H new ATOM 1035 N TRP A 67 -13.712 11.821 -3.083 1.00 0.00 N ATOM 1036 CA TRP A 67 -12.613 12.287 -2.255 1.00 0.00 C ATOM 1037 C TRP A 67 -11.765 13.247 -3.092 1.00 0.00 C ATOM 1038 O TRP A 67 -11.067 14.101 -2.547 1.00 0.00 O ATOM 1039 CB TRP A 67 -11.809 11.111 -1.697 1.00 0.00 C ATOM 1040 CG TRP A 67 -10.426 11.497 -1.169 1.00 0.00 C ATOM 1041 CD1 TRP A 67 -10.117 12.034 0.019 1.00 0.00 C ATOM 1042 CD2 TRP A 67 -9.169 11.352 -1.864 1.00 0.00 C ATOM 1043 NE1 TRP A 67 -8.759 12.246 0.140 1.00 0.00 N ATOM 1044 CE2 TRP A 67 -8.164 11.818 -1.041 1.00 0.00 C ATOM 1045 CE3 TRP A 67 -8.891 10.845 -3.145 1.00 0.00 C ATOM 1046 CZ2 TRP A 67 -6.813 11.823 -1.408 1.00 0.00 C ATOM 1047 CZ3 TRP A 67 -7.536 10.856 -3.497 1.00 0.00 C ATOM 1048 CH2 TRP A 67 -6.512 11.322 -2.680 1.00 0.00 C ATOM 0 H TRP A 67 -13.620 10.860 -3.412 1.00 0.00 H new ATOM 0 HA TRP A 67 -12.988 12.823 -1.383 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -12.377 10.646 -0.892 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -11.692 10.361 -2.479 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -10.840 12.271 0.785 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -8.280 12.644 0.948 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -9.662 10.476 -3.806 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.045 12.193 -0.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -7.267 10.476 -4.472 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.489 11.298 -3.025 1.00 0.00 H new ATOM 1059 N GLN A 68 -11.854 13.076 -4.403 1.00 0.00 N ATOM 1060 CA GLN A 68 -11.103 13.916 -5.320 1.00 0.00 C ATOM 1061 C GLN A 68 -11.911 15.166 -5.676 1.00 0.00 C ATOM 1062 O GLN A 68 -11.346 16.178 -6.088 1.00 0.00 O ATOM 1063 CB GLN A 68 -10.711 13.140 -6.579 1.00 0.00 C ATOM 1064 CG GLN A 68 -9.901 14.019 -7.534 1.00 0.00 C ATOM 1065 CD GLN A 68 -9.245 13.177 -8.630 1.00 0.00 C ATOM 1066 OE1 GLN A 68 -9.408 13.417 -9.815 1.00 0.00 O ATOM 1067 NE2 GLN A 68 -8.496 12.179 -8.171 1.00 0.00 N ATOM 0 H GLN A 68 -12.435 12.368 -4.852 1.00 0.00 H new ATOM 0 HA GLN A 68 -10.184 14.229 -4.825 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.127 12.262 -6.303 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.608 12.780 -7.083 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.552 14.767 -7.986 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -9.135 14.558 -6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.401 12.033 -7.166 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.016 11.559 -8.824 1.00 0.00 H new ATOM 1076 N ASP A 69 -13.220 15.055 -5.504 1.00 0.00 N ATOM 1077 CA ASP A 69 -14.111 16.163 -5.802 1.00 0.00 C ATOM 1078 C ASP A 69 -14.169 17.103 -4.596 1.00 0.00 C ATOM 1079 O ASP A 69 -14.192 18.323 -4.755 1.00 0.00 O ATOM 1080 CB ASP A 69 -15.531 15.668 -6.084 1.00 0.00 C ATOM 1081 CG ASP A 69 -16.412 16.643 -6.868 1.00 0.00 C ATOM 1082 OD1 ASP A 69 -15.836 17.593 -7.441 1.00 0.00 O ATOM 1083 OD2 ASP A 69 -17.641 16.417 -6.876 1.00 0.00 O ATOM 0 H ASP A 69 -13.685 14.214 -5.162 1.00 0.00 H new ATOM 0 HA ASP A 69 -13.727 16.677 -6.683 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -15.470 14.731 -6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -16.017 15.445 -5.134 1.00 0.00 H new ATOM 1088 N GLN A 70 -14.193 16.500 -3.416 1.00 0.00 N ATOM 1089 CA GLN A 70 -14.248 17.268 -2.184 1.00 0.00 C ATOM 1090 C GLN A 70 -12.919 17.988 -1.947 1.00 0.00 C ATOM 1091 O GLN A 70 -12.899 19.185 -1.665 1.00 0.00 O ATOM 1092 CB GLN A 70 -14.606 16.373 -0.996 1.00 0.00 C ATOM 1093 CG GLN A 70 -13.477 15.386 -0.693 1.00 0.00 C ATOM 1094 CD GLN A 70 -13.938 14.314 0.297 1.00 0.00 C ATOM 1095 OE1 GLN A 70 -15.118 14.056 0.467 1.00 0.00 O ATOM 1096 NE2 GLN A 70 -12.943 13.706 0.937 1.00 0.00 N ATOM 0 H GLN A 70 -14.175 15.488 -3.287 1.00 0.00 H new ATOM 0 HA GLN A 70 -15.033 18.018 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -14.801 16.989 -0.118 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.524 15.826 -1.212 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -13.144 14.914 -1.617 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -12.621 15.922 -0.282 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -11.977 13.971 0.747 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.146 12.975 1.618 1.00 0.00 H new ATOM 1105 N GLU A 71 -11.841 17.228 -2.070 1.00 0.00 N ATOM 1106 CA GLU A 71 -10.510 17.778 -1.873 1.00 0.00 C ATOM 1107 C GLU A 71 -10.068 18.556 -3.114 1.00 0.00 C ATOM 1108 O GLU A 71 -9.216 19.438 -3.027 1.00 0.00 O ATOM 1109 CB GLU A 71 -9.506 16.676 -1.530 1.00 0.00 C ATOM 1110 CG GLU A 71 -9.630 16.259 -0.063 1.00 0.00 C ATOM 1111 CD GLU A 71 -8.883 17.234 0.850 1.00 0.00 C ATOM 1112 OE1 GLU A 71 -9.497 18.265 1.201 1.00 0.00 O ATOM 1113 OE2 GLU A 71 -7.716 16.927 1.175 1.00 0.00 O ATOM 0 H GLU A 71 -11.862 16.235 -2.304 1.00 0.00 H new ATOM 0 HA GLU A 71 -10.545 18.467 -1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.675 15.812 -2.173 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.493 17.027 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -10.682 16.223 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.230 15.254 0.068 1.00 0.00 H new ATOM 1120 N GLY A 72 -10.668 18.200 -4.241 1.00 0.00 N ATOM 1121 CA GLY A 72 -10.346 18.854 -5.498 1.00 0.00 C ATOM 1122 C GLY A 72 -8.907 18.552 -5.920 1.00 0.00 C ATOM 1123 O GLY A 72 -8.565 17.403 -6.197 1.00 0.00 O ATOM 0 H GLY A 72 -11.375 17.468 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -11.034 18.518 -6.274 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -10.481 19.931 -5.397 1.00 0.00 H new ATOM 1127 N VAL A 73 -8.102 19.604 -5.956 1.00 0.00 N ATOM 1128 CA VAL A 73 -6.707 19.466 -6.340 1.00 0.00 C ATOM 1129 C VAL A 73 -5.889 19.026 -5.124 1.00 0.00 C ATOM 1130 O VAL A 73 -4.717 18.677 -5.254 1.00 0.00 O ATOM 1131 CB VAL A 73 -6.204 20.772 -6.958 1.00 0.00 C ATOM 1132 CG1 VAL A 73 -7.259 21.385 -7.881 1.00 0.00 C ATOM 1133 CG2 VAL A 73 -5.780 21.765 -5.874 1.00 0.00 C ATOM 0 H VAL A 73 -8.389 20.555 -5.726 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.595 18.696 -7.103 1.00 0.00 H new ATOM 0 HB VAL A 73 -5.326 20.540 -7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -6.875 22.312 -8.307 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.490 20.685 -8.684 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.164 21.595 -7.311 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -5.427 22.684 -6.341 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -6.632 21.988 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.979 21.331 -5.276 1.00 0.00 H new ATOM 1143 N HIS A 74 -6.540 19.055 -3.971 1.00 0.00 N ATOM 1144 CA HIS A 74 -5.888 18.664 -2.733 1.00 0.00 C ATOM 1145 C HIS A 74 -5.825 17.137 -2.647 1.00 0.00 C ATOM 1146 O HIS A 74 -5.133 16.588 -1.791 1.00 0.00 O ATOM 1147 CB HIS A 74 -6.585 19.297 -1.527 1.00 0.00 C ATOM 1148 CG HIS A 74 -7.133 20.679 -1.791 1.00 0.00 C ATOM 1149 ND1 HIS A 74 -8.346 21.113 -1.286 1.00 0.00 N ATOM 1150 CD2 HIS A 74 -6.622 21.718 -2.511 1.00 0.00 C ATOM 1151 CE1 HIS A 74 -8.546 22.359 -1.690 1.00 0.00 C ATOM 1152 NE2 HIS A 74 -7.477 22.732 -2.450 1.00 0.00 N ATOM 0 H HIS A 74 -7.513 19.343 -3.868 1.00 0.00 H new ATOM 0 HA HIS A 74 -4.864 19.037 -2.724 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -7.401 18.648 -1.210 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -5.879 19.349 -0.698 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -5.681 21.716 -3.041 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -9.405 22.972 -1.458 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -7.354 23.640 -2.898 1.00 0.00 H new ATOM 1160 N ALA A 75 -6.557 16.495 -3.545 1.00 0.00 N ATOM 1161 CA ALA A 75 -6.594 15.043 -3.582 1.00 0.00 C ATOM 1162 C ALA A 75 -5.340 14.524 -4.288 1.00 0.00 C ATOM 1163 O ALA A 75 -5.328 14.375 -5.509 1.00 0.00 O ATOM 1164 CB ALA A 75 -7.882 14.582 -4.266 1.00 0.00 C ATOM 0 H ALA A 75 -7.130 16.954 -4.253 1.00 0.00 H new ATOM 0 HA ALA A 75 -6.598 14.633 -2.572 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -7.909 13.493 -4.294 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -8.743 14.953 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.913 14.972 -5.284 1.00 0.00 H new ATOM 1170 N THR A 76 -4.315 14.262 -3.490 1.00 0.00 N ATOM 1171 CA THR A 76 -3.060 13.762 -4.024 1.00 0.00 C ATOM 1172 C THR A 76 -2.799 12.338 -3.529 1.00 0.00 C ATOM 1173 O THR A 76 -3.422 11.887 -2.569 1.00 0.00 O ATOM 1174 CB THR A 76 -1.956 14.750 -3.641 1.00 0.00 C ATOM 1175 OG1 THR A 76 -2.240 15.078 -2.284 1.00 0.00 O ATOM 1176 CG2 THR A 76 -2.082 16.084 -4.381 1.00 0.00 C ATOM 0 H THR A 76 -4.328 14.387 -2.478 1.00 0.00 H new ATOM 0 HA THR A 76 -3.092 13.694 -5.111 1.00 0.00 H new ATOM 0 HB THR A 76 -0.983 14.307 -3.853 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.571 15.714 -1.954 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.275 16.749 -4.073 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.020 15.911 -5.455 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.041 16.543 -4.142 1.00 0.00 H new ATOM 1184 N PRO A 77 -1.852 11.652 -4.224 1.00 0.00 N ATOM 1185 CA PRO A 77 -1.501 10.289 -3.865 1.00 0.00 C ATOM 1186 C PRO A 77 -0.642 10.259 -2.599 1.00 0.00 C ATOM 1187 O PRO A 77 -0.727 9.320 -1.808 1.00 0.00 O ATOM 1188 CB PRO A 77 -0.783 9.733 -5.083 1.00 0.00 C ATOM 1189 CG PRO A 77 -0.348 10.941 -5.897 1.00 0.00 C ATOM 1190 CD PRO A 77 -1.094 12.154 -5.366 1.00 0.00 C ATOM 0 HA PRO A 77 -2.372 9.681 -3.621 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.076 9.130 -4.789 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.442 9.087 -5.664 1.00 0.00 H new ATOM 0 HG2 PRO A 77 0.729 11.089 -5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.569 10.789 -6.953 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.404 12.944 -5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.753 12.577 -6.124 1.00 0.00 H new ATOM 1198 N GLU A 78 0.165 11.298 -2.446 1.00 0.00 N ATOM 1199 CA GLU A 78 1.039 11.403 -1.290 1.00 0.00 C ATOM 1200 C GLU A 78 0.212 11.488 -0.005 1.00 0.00 C ATOM 1201 O GLU A 78 0.576 10.900 1.012 1.00 0.00 O ATOM 1202 CB GLU A 78 1.977 12.605 -1.419 1.00 0.00 C ATOM 1203 CG GLU A 78 3.368 12.276 -0.872 1.00 0.00 C ATOM 1204 CD GLU A 78 3.968 13.478 -0.141 1.00 0.00 C ATOM 1205 OE1 GLU A 78 4.455 14.387 -0.848 1.00 0.00 O ATOM 1206 OE2 GLU A 78 3.927 13.462 1.108 1.00 0.00 O ATOM 0 H GLU A 78 0.232 12.075 -3.103 1.00 0.00 H new ATOM 0 HA GLU A 78 1.656 10.506 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.054 12.900 -2.465 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.561 13.455 -0.878 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.304 11.427 -0.191 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.024 11.979 -1.691 1.00 0.00 H new ATOM 1213 N ASN A 79 -0.885 12.226 -0.094 1.00 0.00 N ATOM 1214 CA ASN A 79 -1.767 12.396 1.048 1.00 0.00 C ATOM 1215 C ASN A 79 -2.527 11.092 1.299 1.00 0.00 C ATOM 1216 O ASN A 79 -2.543 10.583 2.419 1.00 0.00 O ATOM 1217 CB ASN A 79 -2.795 13.500 0.791 1.00 0.00 C ATOM 1218 CG ASN A 79 -2.172 14.884 0.986 1.00 0.00 C ATOM 1219 OD1 ASN A 79 -1.103 15.038 1.553 1.00 0.00 O ATOM 1220 ND2 ASN A 79 -2.899 15.879 0.485 1.00 0.00 N ATOM 0 H ASN A 79 -1.183 12.713 -0.939 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.155 12.666 1.909 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.183 13.412 -0.224 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.641 13.379 1.468 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -2.570 16.841 0.564 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.786 15.680 0.022 1.00 0.00 H new ATOM 1227 N LEU A 80 -3.139 10.587 0.238 1.00 0.00 N ATOM 1228 CA LEU A 80 -3.899 9.352 0.329 1.00 0.00 C ATOM 1229 C LEU A 80 -3.069 8.301 1.068 1.00 0.00 C ATOM 1230 O LEU A 80 -3.577 7.611 1.951 1.00 0.00 O ATOM 1231 CB LEU A 80 -4.363 8.905 -1.059 1.00 0.00 C ATOM 1232 CG LEU A 80 -5.614 8.026 -1.097 1.00 0.00 C ATOM 1233 CD1 LEU A 80 -6.716 8.602 -0.206 1.00 0.00 C ATOM 1234 CD2 LEU A 80 -6.092 7.814 -2.535 1.00 0.00 C ATOM 0 H LEU A 80 -3.124 11.011 -0.690 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.809 9.506 0.909 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.549 9.794 -1.662 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.547 8.362 -1.536 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.355 7.046 -0.696 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -7.594 7.958 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -6.360 8.658 0.823 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.980 9.601 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.983 7.186 -2.533 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -6.329 8.778 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -5.306 7.327 -3.112 1.00 0.00 H new ATOM 1246 N ILE A 81 -1.805 8.211 0.679 1.00 0.00 N ATOM 1247 CA ILE A 81 -0.900 7.255 1.294 1.00 0.00 C ATOM 1248 C ILE A 81 -0.820 7.528 2.798 1.00 0.00 C ATOM 1249 O ILE A 81 -0.873 6.601 3.604 1.00 0.00 O ATOM 1250 CB ILE A 81 0.460 7.277 0.593 1.00 0.00 C ATOM 1251 CG1 ILE A 81 0.358 6.698 -0.819 1.00 0.00 C ATOM 1252 CG2 ILE A 81 1.521 6.562 1.431 1.00 0.00 C ATOM 1253 CD1 ILE A 81 1.459 7.257 -1.722 1.00 0.00 C ATOM 0 H ILE A 81 -1.387 8.784 -0.054 1.00 0.00 H new ATOM 0 HA ILE A 81 -1.280 6.240 1.173 1.00 0.00 H new ATOM 0 HB ILE A 81 0.776 8.315 0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.434 5.611 -0.777 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.619 6.933 -1.242 1.00 0.00 H new ATOM 0 HG21 ILE A 81 2.478 6.592 0.910 1.00 0.00 H new ATOM 0 HG22 ILE A 81 1.618 7.059 2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.225 5.524 1.585 1.00 0.00 H new ATOM 0 HD11 ILE A 81 1.363 6.829 -2.720 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.365 8.341 -1.782 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.434 7.000 -1.309 1.00 0.00 H new ATOM 1265 N ASN A 82 -0.695 8.805 3.129 1.00 0.00 N ATOM 1266 CA ASN A 82 -0.608 9.212 4.521 1.00 0.00 C ATOM 1267 C ASN A 82 -1.771 8.596 5.301 1.00 0.00 C ATOM 1268 O ASN A 82 -1.558 7.879 6.278 1.00 0.00 O ATOM 1269 CB ASN A 82 -0.700 10.733 4.657 1.00 0.00 C ATOM 1270 CG ASN A 82 0.471 11.282 5.474 1.00 0.00 C ATOM 1271 OD1 ASN A 82 0.631 10.995 6.649 1.00 0.00 O ATOM 1272 ND2 ASN A 82 1.279 12.086 4.789 1.00 0.00 N ATOM 0 H ASN A 82 -0.652 9.571 2.457 1.00 0.00 H new ATOM 0 HA ASN A 82 0.351 8.873 4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -0.704 11.191 3.668 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.641 11.003 5.137 1.00 0.00 H new ATOM 0 HD21 ASN A 82 2.090 12.503 5.246 1.00 0.00 H new ATOM 0 HD22 ASN A 82 1.088 12.285 3.807 1.00 0.00 H new ATOM 1279 N ALA A 83 -2.976 8.898 4.841 1.00 0.00 N ATOM 1280 CA ALA A 83 -4.174 8.383 5.484 1.00 0.00 C ATOM 1281 C ALA A 83 -4.068 6.862 5.605 1.00 0.00 C ATOM 1282 O ALA A 83 -4.246 6.308 6.689 1.00 0.00 O ATOM 1283 CB ALA A 83 -5.407 8.821 4.691 1.00 0.00 C ATOM 0 H ALA A 83 -3.149 9.493 4.031 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.274 8.787 6.491 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.305 8.435 5.173 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.451 9.910 4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.344 8.431 3.675 1.00 0.00 H new ATOM 1289 N LEU A 84 -3.779 6.229 4.477 1.00 0.00 N ATOM 1290 CA LEU A 84 -3.648 4.782 4.443 1.00 0.00 C ATOM 1291 C LEU A 84 -2.826 4.321 5.649 1.00 0.00 C ATOM 1292 O LEU A 84 -3.248 3.433 6.388 1.00 0.00 O ATOM 1293 CB LEU A 84 -3.077 4.328 3.099 1.00 0.00 C ATOM 1294 CG LEU A 84 -3.971 4.556 1.878 1.00 0.00 C ATOM 1295 CD1 LEU A 84 -3.140 4.618 0.595 1.00 0.00 C ATOM 1296 CD2 LEU A 84 -5.071 3.496 1.798 1.00 0.00 C ATOM 0 H LEU A 84 -3.632 6.692 3.580 1.00 0.00 H new ATOM 0 HA LEU A 84 -4.626 4.308 4.524 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.132 4.846 2.935 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.850 3.264 3.164 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.463 5.522 1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.799 4.781 -0.258 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.426 5.439 0.663 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -2.602 3.679 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -5.692 3.681 0.921 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.619 2.507 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.687 3.543 2.696 1.00 0.00 H new ATOM 1308 N ASN A 85 -1.668 4.944 5.809 1.00 0.00 N ATOM 1309 CA ASN A 85 -0.784 4.609 6.911 1.00 0.00 C ATOM 1310 C ASN A 85 -1.589 4.570 8.212 1.00 0.00 C ATOM 1311 O ASN A 85 -1.773 3.506 8.800 1.00 0.00 O ATOM 1312 CB ASN A 85 0.321 5.655 7.070 1.00 0.00 C ATOM 1313 CG ASN A 85 1.696 5.051 6.779 1.00 0.00 C ATOM 1314 OD1 ASN A 85 2.158 4.144 7.452 1.00 0.00 O ATOM 1315 ND2 ASN A 85 2.321 5.602 5.743 1.00 0.00 N ATOM 0 H ASN A 85 -1.322 5.680 5.193 1.00 0.00 H new ATOM 0 HA ASN A 85 -0.334 3.639 6.698 1.00 0.00 H new ATOM 0 HB2 ASN A 85 0.136 6.490 6.394 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.303 6.056 8.083 1.00 0.00 H new ATOM 0 HD21 ASN A 85 3.245 5.268 5.468 1.00 0.00 H new ATOM 0 HD22 ASN A 85 1.877 6.358 5.223 1.00 0.00 H new ATOM 1322 N LYS A 86 -2.047 5.743 8.622 1.00 0.00 N ATOM 1323 CA LYS A 86 -2.828 5.857 9.842 1.00 0.00 C ATOM 1324 C LYS A 86 -3.989 4.861 9.794 1.00 0.00 C ATOM 1325 O LYS A 86 -4.261 4.173 10.776 1.00 0.00 O ATOM 1326 CB LYS A 86 -3.269 7.305 10.062 1.00 0.00 C ATOM 1327 CG LYS A 86 -4.011 7.845 8.838 1.00 0.00 C ATOM 1328 CD LYS A 86 -4.515 9.269 9.086 1.00 0.00 C ATOM 1329 CE LYS A 86 -5.082 9.412 10.499 1.00 0.00 C ATOM 1330 NZ LYS A 86 -6.058 10.523 10.557 1.00 0.00 N ATOM 0 H LYS A 86 -1.892 6.624 8.131 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.221 5.598 10.709 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.915 7.363 10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.398 7.927 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -3.348 7.836 7.973 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.852 7.194 8.602 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.699 9.977 8.945 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.284 9.519 8.355 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -5.563 8.481 10.800 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.272 9.595 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.433 10.606 11.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.588 11.412 10.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -6.840 10.333 9.898 1.00 0.00 H new ATOM 1344 N SER A 87 -4.641 4.817 8.641 1.00 0.00 N ATOM 1345 CA SER A 87 -5.766 3.917 8.452 1.00 0.00 C ATOM 1346 C SER A 87 -5.310 2.466 8.624 1.00 0.00 C ATOM 1347 O SER A 87 -6.136 1.564 8.759 1.00 0.00 O ATOM 1348 CB SER A 87 -6.403 4.113 7.075 1.00 0.00 C ATOM 1349 OG SER A 87 -6.242 2.968 6.244 1.00 0.00 O ATOM 0 H SER A 87 -4.412 5.390 7.829 1.00 0.00 H new ATOM 0 HA SER A 87 -6.518 4.147 9.206 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.465 4.328 7.194 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.955 4.980 6.589 1.00 0.00 H new ATOM 0 HG SER A 87 -5.288 2.761 6.153 1.00 0.00 H new ATOM 1355 N GLY A 88 -3.998 2.287 8.613 1.00 0.00 N ATOM 1356 CA GLY A 88 -3.422 0.961 8.766 1.00 0.00 C ATOM 1357 C GLY A 88 -3.449 0.196 7.442 1.00 0.00 C ATOM 1358 O GLY A 88 -3.449 -1.034 7.431 1.00 0.00 O ATOM 0 H GLY A 88 -3.317 3.038 8.501 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -2.395 1.045 9.120 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.976 0.405 9.523 1.00 0.00 H new ATOM 1362 N LEU A 89 -3.470 0.956 6.356 1.00 0.00 N ATOM 1363 CA LEU A 89 -3.496 0.365 5.029 1.00 0.00 C ATOM 1364 C LEU A 89 -2.084 0.381 4.440 1.00 0.00 C ATOM 1365 O LEU A 89 -1.909 0.620 3.246 1.00 0.00 O ATOM 1366 CB LEU A 89 -4.537 1.063 4.152 1.00 0.00 C ATOM 1367 CG LEU A 89 -5.954 0.488 4.206 1.00 0.00 C ATOM 1368 CD1 LEU A 89 -6.192 -0.261 5.518 1.00 0.00 C ATOM 1369 CD2 LEU A 89 -6.998 1.582 3.972 1.00 0.00 C ATOM 0 H LEU A 89 -3.470 1.976 6.369 1.00 0.00 H new ATOM 0 HA LEU A 89 -3.807 -0.678 5.083 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -4.581 2.113 4.441 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.192 1.031 3.118 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.060 -0.237 3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -7.206 -0.660 5.531 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.479 -1.081 5.603 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -6.061 0.423 6.356 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -7.997 1.147 4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -6.902 2.347 4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -6.840 2.032 2.992 1.00 0.00 H new ATOM 1381 N SER A 90 -1.114 0.124 5.305 1.00 0.00 N ATOM 1382 CA SER A 90 0.277 0.107 4.885 1.00 0.00 C ATOM 1383 C SER A 90 0.393 -0.496 3.483 1.00 0.00 C ATOM 1384 O SER A 90 1.106 0.034 2.633 1.00 0.00 O ATOM 1385 CB SER A 90 1.141 -0.678 5.873 1.00 0.00 C ATOM 1386 OG SER A 90 0.687 -2.020 6.031 1.00 0.00 O ATOM 0 H SER A 90 -1.264 -0.074 6.294 1.00 0.00 H new ATOM 0 HA SER A 90 0.640 1.134 4.863 1.00 0.00 H new ATOM 0 HB2 SER A 90 2.174 -0.683 5.526 1.00 0.00 H new ATOM 0 HB3 SER A 90 1.132 -0.176 6.841 1.00 0.00 H new ATOM 0 HG SER A 90 1.266 -2.488 6.668 1.00 0.00 H new ATOM 1392 N ASP A 91 -0.319 -1.596 3.286 1.00 0.00 N ATOM 1393 CA ASP A 91 -0.304 -2.276 2.002 1.00 0.00 C ATOM 1394 C ASP A 91 -0.481 -1.248 0.883 1.00 0.00 C ATOM 1395 O ASP A 91 0.406 -1.074 0.049 1.00 0.00 O ATOM 1396 CB ASP A 91 -1.449 -3.286 1.902 1.00 0.00 C ATOM 1397 CG ASP A 91 -1.083 -4.614 1.235 1.00 0.00 C ATOM 1398 OD1 ASP A 91 0.129 -4.822 1.011 1.00 0.00 O ATOM 1399 OD2 ASP A 91 -2.024 -5.391 0.963 1.00 0.00 O ATOM 0 H ASP A 91 -0.910 -2.033 3.994 1.00 0.00 H new ATOM 0 HA ASP A 91 0.648 -2.798 1.907 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.821 -3.491 2.906 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -2.268 -2.830 1.345 1.00 0.00 H new ATOM 1404 N LEU A 92 -1.633 -0.594 0.901 1.00 0.00 N ATOM 1405 CA LEU A 92 -1.938 0.412 -0.102 1.00 0.00 C ATOM 1406 C LEU A 92 -0.775 1.402 -0.195 1.00 0.00 C ATOM 1407 O LEU A 92 -0.125 1.506 -1.234 1.00 0.00 O ATOM 1408 CB LEU A 92 -3.286 1.073 0.194 1.00 0.00 C ATOM 1409 CG LEU A 92 -4.478 0.558 -0.615 1.00 0.00 C ATOM 1410 CD1 LEU A 92 -4.774 1.479 -1.801 1.00 0.00 C ATOM 1411 CD2 LEU A 92 -4.257 -0.890 -1.055 1.00 0.00 C ATOM 0 H LEU A 92 -2.366 -0.741 1.594 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.044 -0.049 -1.084 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -3.507 0.942 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.189 2.144 0.019 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.358 0.568 0.028 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.626 1.091 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.006 2.480 -1.436 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.902 1.524 -2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.119 -1.232 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.362 -0.949 -1.675 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.132 -1.522 -0.176 1.00 0.00 H new ATOM 1423 N ALA A 93 -0.548 2.105 0.905 1.00 0.00 N ATOM 1424 CA ALA A 93 0.525 3.082 0.961 1.00 0.00 C ATOM 1425 C ALA A 93 1.740 2.544 0.202 1.00 0.00 C ATOM 1426 O ALA A 93 2.260 3.206 -0.694 1.00 0.00 O ATOM 1427 CB ALA A 93 0.846 3.406 2.421 1.00 0.00 C ATOM 0 H ALA A 93 -1.090 2.017 1.765 1.00 0.00 H new ATOM 0 HA ALA A 93 0.222 4.012 0.480 1.00 0.00 H new ATOM 0 HB1 ALA A 93 1.651 4.139 2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -0.041 3.813 2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 93 1.156 2.497 2.936 1.00 0.00 H new ATOM 1433 N GLU A 94 2.157 1.347 0.590 1.00 0.00 N ATOM 1434 CA GLU A 94 3.300 0.712 -0.042 1.00 0.00 C ATOM 1435 C GLU A 94 3.037 0.509 -1.536 1.00 0.00 C ATOM 1436 O GLU A 94 3.916 0.746 -2.363 1.00 0.00 O ATOM 1437 CB GLU A 94 3.637 -0.615 0.640 1.00 0.00 C ATOM 1438 CG GLU A 94 4.529 -0.392 1.863 1.00 0.00 C ATOM 1439 CD GLU A 94 6.009 -0.494 1.489 1.00 0.00 C ATOM 1440 OE1 GLU A 94 6.442 -1.628 1.192 1.00 0.00 O ATOM 1441 OE2 GLU A 94 6.673 0.565 1.507 1.00 0.00 O ATOM 0 H GLU A 94 1.723 0.801 1.334 1.00 0.00 H new ATOM 0 HA GLU A 94 4.162 1.369 0.069 1.00 0.00 H new ATOM 0 HB2 GLU A 94 2.718 -1.116 0.943 1.00 0.00 H new ATOM 0 HB3 GLU A 94 4.141 -1.274 -0.067 1.00 0.00 H new ATOM 0 HG2 GLU A 94 4.326 0.589 2.292 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.292 -1.130 2.629 1.00 0.00 H new ATOM 1448 N SER A 95 1.822 0.073 -1.836 1.00 0.00 N ATOM 1449 CA SER A 95 1.431 -0.164 -3.215 1.00 0.00 C ATOM 1450 C SER A 95 1.716 1.078 -4.060 1.00 0.00 C ATOM 1451 O SER A 95 2.437 1.006 -5.054 1.00 0.00 O ATOM 1452 CB SER A 95 -0.048 -0.545 -3.311 1.00 0.00 C ATOM 1453 OG SER A 95 -0.364 -1.668 -2.493 1.00 0.00 O ATOM 0 H SER A 95 1.095 -0.122 -1.147 1.00 0.00 H new ATOM 0 HA SER A 95 2.018 -0.999 -3.598 1.00 0.00 H new ATOM 0 HB2 SER A 95 -0.661 0.305 -3.012 1.00 0.00 H new ATOM 0 HB3 SER A 95 -0.298 -0.770 -4.348 1.00 0.00 H new ATOM 0 HG SER A 95 -0.216 -1.439 -1.552 1.00 0.00 H new ATOM 1459 N LEU A 96 1.134 2.190 -3.635 1.00 0.00 N ATOM 1460 CA LEU A 96 1.316 3.447 -4.341 1.00 0.00 C ATOM 1461 C LEU A 96 2.806 3.795 -4.379 1.00 0.00 C ATOM 1462 O LEU A 96 3.417 3.808 -5.446 1.00 0.00 O ATOM 1463 CB LEU A 96 0.444 4.541 -3.721 1.00 0.00 C ATOM 1464 CG LEU A 96 -1.065 4.389 -3.920 1.00 0.00 C ATOM 1465 CD1 LEU A 96 -1.431 4.451 -5.404 1.00 0.00 C ATOM 1466 CD2 LEU A 96 -1.580 3.111 -3.255 1.00 0.00 C ATOM 0 H LEU A 96 0.536 2.247 -2.811 1.00 0.00 H new ATOM 0 HA LEU A 96 0.984 3.355 -5.375 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.647 4.577 -2.651 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.750 5.501 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 96 -1.560 5.228 -3.431 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.509 4.340 -5.518 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -1.119 5.411 -5.816 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -0.925 3.646 -5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -2.655 3.027 -3.412 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -1.081 2.246 -3.693 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.371 3.147 -2.186 1.00 0.00 H new ATOM 1478 N THR A 97 3.347 4.068 -3.201 1.00 0.00 N ATOM 1479 CA THR A 97 4.753 4.415 -3.085 1.00 0.00 C ATOM 1480 C THR A 97 5.590 3.577 -4.054 1.00 0.00 C ATOM 1481 O THR A 97 5.959 4.049 -5.128 1.00 0.00 O ATOM 1482 CB THR A 97 5.164 4.243 -1.622 1.00 0.00 C ATOM 1483 OG1 THR A 97 4.813 2.896 -1.318 1.00 0.00 O ATOM 1484 CG2 THR A 97 4.303 5.076 -0.670 1.00 0.00 C ATOM 0 H THR A 97 2.837 4.056 -2.318 1.00 0.00 H new ATOM 0 HA THR A 97 4.929 5.453 -3.366 1.00 0.00 H new ATOM 0 HB THR A 97 6.211 4.523 -1.504 1.00 0.00 H new ATOM 0 HG1 THR A 97 3.868 2.854 -1.061 1.00 0.00 H new ATOM 0 HG21 THR A 97 4.637 4.917 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.398 6.132 -0.923 1.00 0.00 H new ATOM 0 HG23 THR A 97 3.260 4.773 -0.763 1.00 0.00 H new ATOM 1492 N ASN A 98 5.865 2.350 -3.639 1.00 0.00 N ATOM 1493 CA ASN A 98 6.652 1.442 -4.456 1.00 0.00 C ATOM 1494 C ASN A 98 8.058 2.016 -4.639 1.00 0.00 C ATOM 1495 O ASN A 98 8.328 3.146 -4.236 1.00 0.00 O ATOM 1496 CB ASN A 98 6.028 1.268 -5.842 1.00 0.00 C ATOM 1497 CG ASN A 98 6.031 -0.202 -6.265 1.00 0.00 C ATOM 1498 OD1 ASN A 98 6.626 -0.589 -7.257 1.00 0.00 O ATOM 1499 ND2 ASN A 98 5.335 -0.998 -5.458 1.00 0.00 N ATOM 0 H ASN A 98 5.557 1.963 -2.747 1.00 0.00 H new ATOM 0 HA ASN A 98 6.685 0.476 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.006 1.646 -5.834 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.581 1.861 -6.571 1.00 0.00 H new ATOM 0 HD21 ASN A 98 5.276 -1.997 -5.654 1.00 0.00 H new ATOM 0 HD22 ASN A 98 4.860 -0.609 -4.643 1.00 0.00 H new ATOM 1506 N ASP A 99 8.917 1.210 -5.246 1.00 0.00 N ATOM 1507 CA ASP A 99 10.289 1.624 -5.487 1.00 0.00 C ATOM 1508 C ASP A 99 10.299 3.056 -6.025 1.00 0.00 C ATOM 1509 O ASP A 99 9.256 3.588 -6.402 1.00 0.00 O ATOM 1510 CB ASP A 99 10.962 0.724 -6.526 1.00 0.00 C ATOM 1511 CG ASP A 99 11.814 -0.407 -5.947 1.00 0.00 C ATOM 1512 OD1 ASP A 99 12.522 -0.133 -4.954 1.00 0.00 O ATOM 1513 OD2 ASP A 99 11.738 -1.520 -6.510 1.00 0.00 O ATOM 0 H ASP A 99 8.690 0.273 -5.578 1.00 0.00 H new ATOM 0 HA ASP A 99 10.832 1.555 -4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 99 10.191 0.289 -7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 99 11.592 1.342 -7.166 1.00 0.00 H new ATOM 1518 N ASN A 100 11.488 3.640 -6.042 1.00 0.00 N ATOM 1519 CA ASN A 100 11.647 5.000 -6.528 1.00 0.00 C ATOM 1520 C ASN A 100 10.909 5.961 -5.592 1.00 0.00 C ATOM 1521 O ASN A 100 9.711 6.189 -5.750 1.00 0.00 O ATOM 1522 CB ASN A 100 11.054 5.158 -7.929 1.00 0.00 C ATOM 1523 CG ASN A 100 11.638 4.121 -8.891 1.00 0.00 C ATOM 1524 OD1 ASN A 100 12.639 4.344 -9.552 1.00 0.00 O ATOM 1525 ND2 ASN A 100 10.958 2.979 -8.933 1.00 0.00 N ATOM 0 H ASN A 100 12.351 3.196 -5.727 1.00 0.00 H new ATOM 0 HA ASN A 100 12.713 5.223 -6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 100 9.971 5.048 -7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 100 11.257 6.161 -8.303 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.267 2.224 -9.545 1.00 0.00 H new ATOM 0 HD22 ASN A 100 10.128 2.858 -8.353 1.00 0.00 H new ATOM 1532 N GLU A 101 11.656 6.497 -4.638 1.00 0.00 N ATOM 1533 CA GLU A 101 11.089 7.427 -3.677 1.00 0.00 C ATOM 1534 C GLU A 101 12.168 7.913 -2.707 1.00 0.00 C ATOM 1535 O GLU A 101 12.670 7.140 -1.893 1.00 0.00 O ATOM 1536 CB GLU A 101 9.920 6.790 -2.922 1.00 0.00 C ATOM 1537 CG GLU A 101 10.398 5.624 -2.054 1.00 0.00 C ATOM 1538 CD GLU A 101 10.501 6.040 -0.585 1.00 0.00 C ATOM 1539 OE1 GLU A 101 9.669 6.876 -0.173 1.00 0.00 O ATOM 1540 OE2 GLU A 101 11.410 5.512 0.091 1.00 0.00 O ATOM 0 H GLU A 101 12.650 6.305 -4.510 1.00 0.00 H new ATOM 0 HA GLU A 101 10.702 8.289 -4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 101 9.435 7.539 -2.296 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.173 6.437 -3.633 1.00 0.00 H new ATOM 0 HG2 GLU A 101 9.707 4.787 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 101 11.370 5.278 -2.407 1.00 0.00 H new ATOM 1547 N THR A 102 12.493 9.192 -2.827 1.00 0.00 N ATOM 1548 CA THR A 102 13.504 9.790 -1.972 1.00 0.00 C ATOM 1549 C THR A 102 12.902 10.939 -1.160 1.00 0.00 C ATOM 1550 O THR A 102 12.068 11.690 -1.663 1.00 0.00 O ATOM 1551 CB THR A 102 14.677 10.220 -2.855 1.00 0.00 C ATOM 1552 OG1 THR A 102 15.306 8.993 -3.217 1.00 0.00 O ATOM 1553 CG2 THR A 102 15.754 10.974 -2.072 1.00 0.00 C ATOM 0 H THR A 102 12.074 9.830 -3.503 1.00 0.00 H new ATOM 0 HA THR A 102 13.876 9.074 -1.239 1.00 0.00 H new ATOM 0 HB THR A 102 14.310 10.850 -3.665 1.00 0.00 H new ATOM 0 HG1 THR A 102 16.077 9.178 -3.792 1.00 0.00 H new ATOM 0 HG21 THR A 102 16.563 11.256 -2.746 1.00 0.00 H new ATOM 0 HG22 THR A 102 15.321 11.871 -1.629 1.00 0.00 H new ATOM 0 HG23 THR A 102 16.146 10.333 -1.283 1.00 0.00 H new ATOM 1561 N ASN A 103 13.350 11.040 0.083 1.00 0.00 N ATOM 1562 CA ASN A 103 12.867 12.085 0.970 1.00 0.00 C ATOM 1563 C ASN A 103 13.886 13.225 1.011 1.00 0.00 C ATOM 1564 O ASN A 103 15.013 13.039 1.467 1.00 0.00 O ATOM 1565 CB ASN A 103 12.689 11.559 2.396 1.00 0.00 C ATOM 1566 CG ASN A 103 11.841 10.285 2.408 1.00 0.00 C ATOM 1567 OD1 ASN A 103 12.330 9.181 2.231 1.00 0.00 O ATOM 1568 ND2 ASN A 103 10.547 10.499 2.627 1.00 0.00 N ATOM 0 H ASN A 103 14.042 10.415 0.497 1.00 0.00 H new ATOM 0 HA ASN A 103 11.906 12.431 0.590 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.665 11.355 2.837 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.214 12.322 3.012 1.00 0.00 H new ATOM 0 HD21 ASN A 103 9.898 9.713 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 103 10.204 11.449 2.767 1.00 0.00 H new ATOM 1575 N SER A 104 13.453 14.381 0.528 1.00 0.00 N ATOM 1576 CA SER A 104 14.314 15.551 0.503 1.00 0.00 C ATOM 1577 C SER A 104 13.578 16.754 1.097 1.00 0.00 C ATOM 1578 O SER A 104 12.553 17.182 0.569 1.00 0.00 O ATOM 1579 CB SER A 104 14.779 15.863 -0.921 1.00 0.00 C ATOM 1580 OG SER A 104 13.685 16.142 -1.790 1.00 0.00 O ATOM 0 H SER A 104 12.517 14.532 0.151 1.00 0.00 H new ATOM 0 HA SER A 104 15.197 15.339 1.106 1.00 0.00 H new ATOM 0 HB2 SER A 104 15.455 16.718 -0.903 1.00 0.00 H new ATOM 0 HB3 SER A 104 15.345 15.017 -1.311 1.00 0.00 H new ATOM 0 HG SER A 104 12.985 16.615 -1.293 1.00 0.00 H new ATOM 1586 N SER A 105 14.130 17.266 2.187 1.00 0.00 N ATOM 1587 CA SER A 105 13.540 18.411 2.858 1.00 0.00 C ATOM 1588 C SER A 105 14.616 19.178 3.629 1.00 0.00 C ATOM 1589 O SER A 105 15.485 18.574 4.256 1.00 0.00 O ATOM 1590 CB SER A 105 12.417 17.977 3.803 1.00 0.00 C ATOM 1591 OG SER A 105 11.128 18.183 3.231 1.00 0.00 O ATOM 0 H SER A 105 14.980 16.908 2.622 1.00 0.00 H new ATOM 0 HA SER A 105 13.109 19.066 2.101 1.00 0.00 H new ATOM 0 HB2 SER A 105 12.539 16.923 4.051 1.00 0.00 H new ATOM 0 HB3 SER A 105 12.493 18.535 4.736 1.00 0.00 H new ATOM 0 HG SER A 105 11.149 17.940 2.282 1.00 0.00 H new ATOM 1597 N GLY A 106 14.522 20.498 3.558 1.00 0.00 N ATOM 1598 CA GLY A 106 15.477 21.354 4.241 1.00 0.00 C ATOM 1599 C GLY A 106 15.663 22.675 3.493 1.00 0.00 C ATOM 1600 O GLY A 106 14.703 23.232 2.962 1.00 0.00 O ATOM 0 H GLY A 106 13.799 20.995 3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 106 15.132 21.552 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 106 16.435 20.841 4.325 1.00 0.00 H new ATOM 1604 N PRO A 107 16.936 23.151 3.474 1.00 0.00 N ATOM 1605 CA PRO A 107 17.260 24.397 2.800 1.00 0.00 C ATOM 1606 C PRO A 107 17.270 24.212 1.281 1.00 0.00 C ATOM 1607 O PRO A 107 18.255 23.739 0.716 1.00 0.00 O ATOM 1608 CB PRO A 107 18.614 24.806 3.357 1.00 0.00 C ATOM 1609 CG PRO A 107 19.209 23.549 3.971 1.00 0.00 C ATOM 1610 CD PRO A 107 18.098 22.519 4.092 1.00 0.00 C ATOM 0 HA PRO A 107 16.519 25.176 2.978 1.00 0.00 H new ATOM 0 HB2 PRO A 107 19.258 25.199 2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 107 18.508 25.593 4.104 1.00 0.00 H new ATOM 0 HG2 PRO A 107 20.018 23.166 3.349 1.00 0.00 H new ATOM 0 HG3 PRO A 107 19.635 23.767 4.950 1.00 0.00 H new ATOM 0 HD2 PRO A 107 18.361 21.591 3.584 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.904 22.267 5.135 1.00 0.00 H new ATOM 1618 N SER A 108 16.162 24.594 0.663 1.00 0.00 N ATOM 1619 CA SER A 108 16.031 24.475 -0.779 1.00 0.00 C ATOM 1620 C SER A 108 14.706 25.090 -1.236 1.00 0.00 C ATOM 1621 O SER A 108 13.641 24.520 -1.005 1.00 0.00 O ATOM 1622 CB SER A 108 16.119 23.014 -1.222 1.00 0.00 C ATOM 1623 OG SER A 108 14.968 22.268 -0.835 1.00 0.00 O ATOM 0 H SER A 108 15.347 24.986 1.135 1.00 0.00 H new ATOM 0 HA SER A 108 16.855 25.017 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 108 16.232 22.970 -2.305 1.00 0.00 H new ATOM 0 HB3 SER A 108 17.009 22.557 -0.790 1.00 0.00 H new ATOM 0 HG SER A 108 14.246 22.884 -0.589 1.00 0.00 H new ATOM 1629 N SER A 109 14.816 26.244 -1.877 1.00 0.00 N ATOM 1630 CA SER A 109 13.640 26.942 -2.368 1.00 0.00 C ATOM 1631 C SER A 109 14.034 27.907 -3.488 1.00 0.00 C ATOM 1632 O SER A 109 14.706 28.908 -3.243 1.00 0.00 O ATOM 1633 CB SER A 109 12.937 27.699 -1.239 1.00 0.00 C ATOM 1634 OG SER A 109 12.097 26.846 -0.467 1.00 0.00 O ATOM 0 H SER A 109 15.701 26.713 -2.068 1.00 0.00 H new ATOM 0 HA SER A 109 12.943 26.202 -2.762 1.00 0.00 H new ATOM 0 HB2 SER A 109 13.683 28.157 -0.590 1.00 0.00 H new ATOM 0 HB3 SER A 109 12.342 28.509 -1.661 1.00 0.00 H new ATOM 0 HG SER A 109 12.415 25.922 -0.539 1.00 0.00 H new ATOM 1640 N GLY A 110 13.599 27.572 -4.694 1.00 0.00 N ATOM 1641 CA GLY A 110 13.898 28.395 -5.853 1.00 0.00 C ATOM 1642 C GLY A 110 15.359 28.851 -5.840 1.00 0.00 C ATOM 1643 O GLY A 110 15.653 29.996 -5.499 1.00 0.00 O ATOM 0 H GLY A 110 13.042 26.741 -4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 110 13.697 27.832 -6.765 1.00 0.00 H new ATOM 0 HA3 GLY A 110 13.242 29.265 -5.865 1.00 0.00 H new TER 1647 GLY A 110