USER MOD reduce.3.24.130724 H: found=0, std=0, add=796, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 797 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 26 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 96 TYR OH : rot 150:sc=-0.00749 USER MOD Set 2.1: A 85 SER OG : rot 180:sc= 0.00688 USER MOD Set 2.2: A 89 LYS NZ :NH3+ 153:sc= -0.874 (180deg=-2.02!) USER MOD Set 3.1: A 40 LYS NZ :NH3+ -153:sc= 0.344 (180deg=-1.91!) USER MOD Set 3.2: A 52 SER OG : rot 180:sc= 0.63 USER MOD Set 4.1: A 23 MET CE :methyl -146:sc= -2.32! (180deg=-3.22!) USER MOD Set 4.2: A 79 ASN : amide:sc= -2.12! C(o=-4.4!,f=-6.3!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 141:sc= 0.0108 USER MOD Single : A 38 SER OG : 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 143:sc= -0.92 (180deg=-3.53!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.00262 USER MOD Single : A 83 TYR OH : rot -42:sc= 0.0429 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.214 K(o=-0.21,f=-1.7!) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot -77:sc= 0.102 USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 115 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 50:sc= 0.467 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 23 5.758 9.205 -4.145 1.00 0.00 N ATOM 2 CA MET A 23 5.804 7.754 -4.096 1.00 0.00 C ATOM 3 C MET A 23 6.569 7.270 -2.863 1.00 0.00 C ATOM 4 O MET A 23 7.718 7.656 -2.650 1.00 0.00 O ATOM 5 CB MET A 23 6.480 7.221 -5.361 1.00 0.00 C ATOM 6 CG MET A 23 5.817 5.927 -5.833 1.00 0.00 C ATOM 7 SD MET A 23 6.605 5.348 -7.327 1.00 0.00 S ATOM 8 CE MET A 23 5.212 4.583 -8.138 1.00 0.00 C ATOM 0 HA MET A 23 4.782 7.379 -4.035 1.00 0.00 H new ATOM 0 HB2 MET A 23 6.425 7.971 -6.150 1.00 0.00 H new ATOM 0 HB3 MET A 23 7.537 7.042 -5.165 1.00 0.00 H new ATOM 0 HG2 MET A 23 5.890 5.167 -5.055 1.00 0.00 H new ATOM 0 HG3 MET A 23 4.756 6.097 -6.014 1.00 0.00 H new ATOM 0 HE1 MET A 23 5.551 3.713 -8.700 1.00 0.00 H new ATOM 0 HE2 MET A 23 4.483 4.270 -7.391 1.00 0.00 H new ATOM 0 HE3 MET A 23 4.750 5.298 -8.819 1.00 0.00 H new ATOM 18 N ARG A 24 5.904 6.431 -2.083 1.00 0.00 N ATOM 19 CA ARG A 24 6.508 5.891 -0.879 1.00 0.00 C ATOM 20 C ARG A 24 6.806 4.401 -1.056 1.00 0.00 C ATOM 21 O ARG A 24 6.035 3.680 -1.687 1.00 0.00 O ATOM 22 CB ARG A 24 5.588 6.079 0.331 1.00 0.00 C ATOM 23 CG ARG A 24 6.323 6.781 1.475 1.00 0.00 C ATOM 24 CD ARG A 24 6.637 5.802 2.608 1.00 0.00 C ATOM 25 NE ARG A 24 7.023 6.545 3.827 1.00 0.00 N ATOM 26 CZ ARG A 24 6.165 7.233 4.592 1.00 0.00 C ATOM 27 NH1 ARG A 24 4.866 7.275 4.268 1.00 0.00 N ATOM 28 NH2 ARG A 24 6.606 7.878 5.680 1.00 0.00 N ATOM 0 H ARG A 24 4.952 6.112 -2.262 1.00 0.00 H new ATOM 0 HA ARG A 24 7.437 6.433 -0.703 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.715 6.664 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.223 5.109 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 24 7.248 7.220 1.102 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.713 7.600 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 24 5.767 5.179 2.813 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.444 5.134 2.309 1.00 0.00 H new ATOM 0 HE ARG A 24 8.005 6.533 4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.531 6.783 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.212 7.799 4.850 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.595 7.845 5.926 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.953 8.402 6.262 1.00 0.00 H new ATOM 42 N GLU A 25 7.929 3.983 -0.489 1.00 0.00 N ATOM 43 CA GLU A 25 8.339 2.592 -0.577 1.00 0.00 C ATOM 44 C GLU A 25 8.031 1.863 0.732 1.00 0.00 C ATOM 45 O GLU A 25 8.476 2.284 1.800 1.00 0.00 O ATOM 46 CB GLU A 25 9.823 2.479 -0.931 1.00 0.00 C ATOM 47 CG GLU A 25 10.012 2.207 -2.426 1.00 0.00 C ATOM 48 CD GLU A 25 10.207 0.713 -2.690 1.00 0.00 C ATOM 49 OE1 GLU A 25 9.349 -0.064 -2.218 1.00 0.00 O ATOM 50 OE2 GLU A 25 11.211 0.382 -3.357 1.00 0.00 O ATOM 0 H GLU A 25 8.567 4.584 0.033 1.00 0.00 H new ATOM 0 HA GLU A 25 7.771 2.117 -1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.337 3.401 -0.658 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.279 1.676 -0.351 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.144 2.567 -2.978 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.876 2.761 -2.794 1.00 0.00 H new ATOM 57 N TYR A 26 7.274 0.783 0.607 1.00 0.00 N ATOM 58 CA TYR A 26 6.901 -0.007 1.768 1.00 0.00 C ATOM 59 C TYR A 26 7.494 -1.415 1.685 1.00 0.00 C ATOM 60 O TYR A 26 7.516 -2.022 0.616 1.00 0.00 O ATOM 61 CB TYR A 26 5.374 -0.109 1.737 1.00 0.00 C ATOM 62 CG TYR A 26 4.663 1.245 1.675 1.00 0.00 C ATOM 63 CD1 TYR A 26 4.786 2.138 2.722 1.00 0.00 C ATOM 64 CD2 TYR A 26 3.899 1.574 0.575 1.00 0.00 C ATOM 65 CE1 TYR A 26 4.116 3.411 2.663 1.00 0.00 C ATOM 66 CE2 TYR A 26 3.229 2.847 0.517 1.00 0.00 C ATOM 67 CZ TYR A 26 3.371 3.703 1.565 1.00 0.00 C ATOM 68 OH TYR A 26 2.738 4.906 1.510 1.00 0.00 O ATOM 0 H TYR A 26 6.909 0.437 -0.280 1.00 0.00 H new ATOM 0 HA TYR A 26 7.271 0.457 2.682 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.077 -0.704 0.874 1.00 0.00 H new ATOM 0 HB3 TYR A 26 5.037 -0.645 2.625 1.00 0.00 H new ATOM 0 HD1 TYR A 26 5.384 1.881 3.584 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.803 0.876 -0.244 1.00 0.00 H new ATOM 0 HE1 TYR A 26 4.204 4.119 3.474 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.628 3.116 -0.339 1.00 0.00 H new ATOM 0 HH TYR A 26 2.244 4.977 0.667 1.00 0.00 H new ATOM 78 N PRO A 27 7.975 -1.906 2.860 1.00 0.00 N ATOM 79 CA PRO A 27 8.567 -3.230 2.930 1.00 0.00 C ATOM 80 C PRO A 27 7.491 -4.316 2.877 1.00 0.00 C ATOM 81 O PRO A 27 6.308 -4.032 3.062 1.00 0.00 O ATOM 82 CB PRO A 27 9.357 -3.240 4.229 1.00 0.00 C ATOM 83 CG PRO A 27 8.804 -2.094 5.061 1.00 0.00 C ATOM 84 CD PRO A 27 7.967 -1.215 4.146 1.00 0.00 C ATOM 0 HA PRO A 27 9.217 -3.445 2.082 1.00 0.00 H new ATOM 0 HB2 PRO A 27 9.242 -4.191 4.749 1.00 0.00 H new ATOM 0 HB3 PRO A 27 10.422 -3.107 4.040 1.00 0.00 H new ATOM 0 HG2 PRO A 27 8.198 -2.476 5.882 1.00 0.00 H new ATOM 0 HG3 PRO A 27 9.616 -1.518 5.505 1.00 0.00 H new ATOM 0 HD2 PRO A 27 6.952 -1.099 4.527 1.00 0.00 H new ATOM 0 HD3 PRO A 27 8.391 -0.215 4.061 1.00 0.00 H new ATOM 92 N VAL A 28 7.939 -5.537 2.622 1.00 0.00 N ATOM 93 CA VAL A 28 7.028 -6.666 2.542 1.00 0.00 C ATOM 94 C VAL A 28 7.433 -7.717 3.580 1.00 0.00 C ATOM 95 O VAL A 28 8.614 -8.034 3.719 1.00 0.00 O ATOM 96 CB VAL A 28 6.998 -7.215 1.115 1.00 0.00 C ATOM 97 CG1 VAL A 28 6.485 -8.657 1.092 1.00 0.00 C ATOM 98 CG2 VAL A 28 6.161 -6.320 0.200 1.00 0.00 C ATOM 0 H VAL A 28 8.920 -5.769 2.468 1.00 0.00 H new ATOM 0 HA VAL A 28 6.010 -6.353 2.776 1.00 0.00 H new ATOM 0 HB VAL A 28 8.020 -7.218 0.736 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.474 -9.023 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.141 -9.286 1.694 1.00 0.00 H new ATOM 0 HG13 VAL A 28 5.475 -8.690 1.500 1.00 0.00 H new ATOM 0 HG21 VAL A 28 6.157 -6.733 -0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.139 -6.270 0.576 1.00 0.00 H new ATOM 0 HG23 VAL A 28 6.590 -5.318 0.179 1.00 0.00 H new ATOM 108 N LYS A 29 6.431 -8.229 4.278 1.00 0.00 N ATOM 109 CA LYS A 29 6.668 -9.237 5.297 1.00 0.00 C ATOM 110 C LYS A 29 6.833 -10.604 4.628 1.00 0.00 C ATOM 111 O LYS A 29 6.165 -10.899 3.638 1.00 0.00 O ATOM 112 CB LYS A 29 5.564 -9.200 6.355 1.00 0.00 C ATOM 113 CG LYS A 29 5.786 -10.278 7.418 1.00 0.00 C ATOM 114 CD LYS A 29 6.156 -9.652 8.764 1.00 0.00 C ATOM 115 CE LYS A 29 7.671 -9.469 8.886 1.00 0.00 C ATOM 116 NZ LYS A 29 8.023 -8.938 10.223 1.00 0.00 N ATOM 0 H LYS A 29 5.453 -7.965 4.158 1.00 0.00 H new ATOM 0 HA LYS A 29 7.595 -9.028 5.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.541 -8.218 6.827 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.594 -9.348 5.879 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.882 -10.877 7.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.579 -10.953 7.096 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.660 -8.687 8.869 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.796 -10.285 9.575 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.173 -10.423 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 29 8.024 -8.787 8.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.054 -8.820 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.559 -8.018 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.703 -9.603 10.956 1.00 0.00 H new ATOM 130 N LYS A 30 7.727 -11.401 5.196 1.00 0.00 N ATOM 131 CA LYS A 30 7.988 -12.728 4.667 1.00 0.00 C ATOM 132 C LYS A 30 6.739 -13.596 4.837 1.00 0.00 C ATOM 133 O LYS A 30 6.406 -13.998 5.951 1.00 0.00 O ATOM 134 CB LYS A 30 9.242 -13.324 5.308 1.00 0.00 C ATOM 135 CG LYS A 30 9.419 -14.791 4.910 1.00 0.00 C ATOM 136 CD LYS A 30 10.632 -15.406 5.609 1.00 0.00 C ATOM 137 CE LYS A 30 11.845 -15.438 4.675 1.00 0.00 C ATOM 138 NZ LYS A 30 12.397 -16.808 4.588 1.00 0.00 N ATOM 0 H LYS A 30 8.279 -11.153 6.017 1.00 0.00 H new ATOM 0 HA LYS A 30 8.198 -12.677 3.599 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.118 -12.752 5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.173 -13.244 6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.522 -15.353 5.170 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.541 -14.866 3.829 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.872 -14.830 6.503 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.393 -16.418 5.936 1.00 0.00 H new ATOM 0 HE2 LYS A 30 11.556 -15.092 3.682 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.611 -14.754 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.219 -16.811 3.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.691 -17.124 5.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.669 -17.453 4.218 1.00 0.00 H new ATOM 152 N GLY A 31 6.082 -13.859 3.717 1.00 0.00 N ATOM 153 CA GLY A 31 4.878 -14.672 3.729 1.00 0.00 C ATOM 154 C GLY A 31 3.687 -13.896 3.159 1.00 0.00 C ATOM 155 O GLY A 31 2.886 -14.448 2.406 1.00 0.00 O ATOM 0 H GLY A 31 6.361 -13.523 2.795 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.040 -15.577 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 31 4.657 -14.987 4.749 1.00 0.00 H new ATOM 159 N PHE A 32 3.611 -12.630 3.540 1.00 0.00 N ATOM 160 CA PHE A 32 2.533 -11.773 3.075 1.00 0.00 C ATOM 161 C PHE A 32 2.350 -11.893 1.561 1.00 0.00 C ATOM 162 O PHE A 32 3.241 -12.369 0.861 1.00 0.00 O ATOM 163 CB PHE A 32 2.925 -10.334 3.417 1.00 0.00 C ATOM 164 CG PHE A 32 2.285 -9.804 4.703 1.00 0.00 C ATOM 165 CD1 PHE A 32 2.525 -10.425 5.889 1.00 0.00 C ATOM 166 CD2 PHE A 32 1.477 -8.711 4.658 1.00 0.00 C ATOM 167 CE1 PHE A 32 1.932 -9.931 7.081 1.00 0.00 C ATOM 168 CE2 PHE A 32 0.883 -8.218 5.850 1.00 0.00 C ATOM 169 CZ PHE A 32 1.123 -8.839 7.036 1.00 0.00 C ATOM 0 H PHE A 32 4.278 -12.177 4.165 1.00 0.00 H new ATOM 0 HA PHE A 32 1.596 -12.063 3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 32 4.009 -10.276 3.512 1.00 0.00 H new ATOM 0 HB3 PHE A 32 2.643 -9.685 2.588 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.166 -11.293 5.924 1.00 0.00 H new ATOM 0 HD2 PHE A 32 1.287 -8.218 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 32 2.124 -10.423 8.023 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.241 -7.350 5.815 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.671 -8.465 7.942 1.00 0.00 H new ATOM 179 N PRO A 33 1.158 -11.439 1.089 1.00 0.00 N ATOM 180 CA PRO A 33 0.847 -11.491 -0.330 1.00 0.00 C ATOM 181 C PRO A 33 1.603 -10.404 -1.097 1.00 0.00 C ATOM 182 O PRO A 33 1.598 -9.241 -0.698 1.00 0.00 O ATOM 183 CB PRO A 33 -0.662 -11.332 -0.408 1.00 0.00 C ATOM 184 CG PRO A 33 -1.088 -10.734 0.923 1.00 0.00 C ATOM 185 CD PRO A 33 0.078 -10.869 1.888 1.00 0.00 C ATOM 0 HA PRO A 33 1.160 -12.426 -0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.944 -10.682 -1.236 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -1.148 -12.293 -0.578 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.363 -9.686 0.800 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.966 -11.251 1.310 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.361 -9.902 2.304 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.176 -11.515 2.728 1.00 0.00 H new ATOM 193 N THR A 34 2.234 -10.822 -2.184 1.00 0.00 N ATOM 194 CA THR A 34 2.993 -9.899 -3.010 1.00 0.00 C ATOM 195 C THR A 34 2.659 -10.109 -4.489 1.00 0.00 C ATOM 196 O THR A 34 3.476 -9.820 -5.361 1.00 0.00 O ATOM 197 CB THR A 34 4.477 -10.090 -2.691 1.00 0.00 C ATOM 198 OG1 THR A 34 4.834 -11.280 -3.389 1.00 0.00 O ATOM 199 CG2 THR A 34 4.720 -10.434 -1.220 1.00 0.00 C ATOM 0 H THR A 34 2.235 -11.788 -2.512 1.00 0.00 H new ATOM 0 HA THR A 34 2.729 -8.864 -2.792 1.00 0.00 H new ATOM 0 HB THR A 34 5.022 -9.181 -2.947 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.782 -11.476 -3.238 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.789 -10.559 -1.047 1.00 0.00 H new ATOM 0 HG22 THR A 34 4.343 -9.628 -0.591 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.202 -11.360 -0.973 1.00 0.00 H new ATOM 207 N ASP A 35 1.455 -10.609 -4.726 1.00 0.00 N ATOM 208 CA ASP A 35 1.002 -10.860 -6.083 1.00 0.00 C ATOM 209 C ASP A 35 -0.232 -10.003 -6.371 1.00 0.00 C ATOM 210 O ASP A 35 -1.057 -9.779 -5.485 1.00 0.00 O ATOM 211 CB ASP A 35 0.613 -12.327 -6.271 1.00 0.00 C ATOM 212 CG ASP A 35 1.373 -13.061 -7.377 1.00 0.00 C ATOM 213 OD1 ASP A 35 1.835 -12.365 -8.307 1.00 0.00 O ATOM 214 OD2 ASP A 35 1.475 -14.303 -7.269 1.00 0.00 O ATOM 0 H ASP A 35 0.779 -10.847 -4.000 1.00 0.00 H new ATOM 0 HA ASP A 35 1.818 -10.613 -6.762 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.773 -12.853 -5.330 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -0.454 -12.379 -6.488 1.00 0.00 H new ATOM 219 N TYR A 36 -0.320 -9.545 -7.611 1.00 0.00 N ATOM 220 CA TYR A 36 -1.439 -8.718 -8.027 1.00 0.00 C ATOM 221 C TYR A 36 -2.770 -9.344 -7.606 1.00 0.00 C ATOM 222 O TYR A 36 -3.579 -8.702 -6.939 1.00 0.00 O ATOM 223 CB TYR A 36 -1.376 -8.660 -9.554 1.00 0.00 C ATOM 224 CG TYR A 36 -0.510 -7.522 -10.099 1.00 0.00 C ATOM 225 CD1 TYR A 36 0.843 -7.493 -9.828 1.00 0.00 C ATOM 226 CD2 TYR A 36 -1.081 -6.524 -10.860 1.00 0.00 C ATOM 227 CE1 TYR A 36 1.658 -6.424 -10.340 1.00 0.00 C ATOM 228 CE2 TYR A 36 -0.266 -5.453 -11.373 1.00 0.00 C ATOM 229 CZ TYR A 36 1.063 -5.456 -11.088 1.00 0.00 C ATOM 230 OH TYR A 36 1.833 -4.444 -11.572 1.00 0.00 O ATOM 0 H TYR A 36 0.367 -9.732 -8.342 1.00 0.00 H new ATOM 0 HA TYR A 36 -1.378 -7.731 -7.569 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.989 -9.608 -9.928 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.388 -8.552 -9.945 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.290 -8.274 -9.231 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.140 -6.545 -11.071 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.718 -6.391 -10.135 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -0.701 -4.665 -11.971 1.00 0.00 H new ATOM 0 HH TYR A 36 1.539 -4.214 -12.478 1.00 0.00 H new ATOM 240 N ASP A 37 -2.955 -10.590 -8.015 1.00 0.00 N ATOM 241 CA ASP A 37 -4.174 -11.311 -7.688 1.00 0.00 C ATOM 242 C ASP A 37 -4.342 -11.361 -6.169 1.00 0.00 C ATOM 243 O ASP A 37 -5.423 -11.088 -5.649 1.00 0.00 O ATOM 244 CB ASP A 37 -4.119 -12.750 -8.206 1.00 0.00 C ATOM 245 CG ASP A 37 -4.327 -12.904 -9.714 1.00 0.00 C ATOM 246 OD1 ASP A 37 -5.363 -12.401 -10.198 1.00 0.00 O ATOM 247 OD2 ASP A 37 -3.443 -13.520 -10.348 1.00 0.00 O ATOM 0 H ASP A 37 -2.282 -11.119 -8.570 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.009 -10.790 -8.157 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.152 -13.178 -7.942 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -4.879 -13.336 -7.688 1.00 0.00 H new ATOM 252 N SER A 38 -3.254 -11.713 -5.497 1.00 0.00 N ATOM 253 CA SER A 38 -3.267 -11.802 -4.047 1.00 0.00 C ATOM 254 C SER A 38 -3.795 -10.498 -3.447 1.00 0.00 C ATOM 255 O SER A 38 -4.725 -10.514 -2.639 1.00 0.00 O ATOM 256 CB SER A 38 -1.869 -12.109 -3.503 1.00 0.00 C ATOM 257 OG SER A 38 -1.436 -13.421 -3.851 1.00 0.00 O ATOM 0 H SER A 38 -2.359 -11.940 -5.930 1.00 0.00 H new ATOM 0 HA SER A 38 -3.928 -12.620 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 38 -1.160 -11.378 -3.892 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.871 -12.004 -2.418 1.00 0.00 H new ATOM 0 HG SER A 38 -0.540 -13.577 -3.487 1.00 0.00 H new ATOM 263 N ILE A 39 -3.182 -9.400 -3.863 1.00 0.00 N ATOM 264 CA ILE A 39 -3.581 -8.091 -3.376 1.00 0.00 C ATOM 265 C ILE A 39 -5.014 -7.796 -3.829 1.00 0.00 C ATOM 266 O ILE A 39 -5.795 -7.207 -3.085 1.00 0.00 O ATOM 267 CB ILE A 39 -2.569 -7.028 -3.811 1.00 0.00 C ATOM 268 CG1 ILE A 39 -1.175 -7.345 -3.266 1.00 0.00 C ATOM 269 CG2 ILE A 39 -3.038 -5.628 -3.406 1.00 0.00 C ATOM 270 CD1 ILE A 39 -0.089 -6.910 -4.254 1.00 0.00 C ATOM 0 H ILE A 39 -2.412 -9.390 -4.532 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.581 -8.074 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 39 -2.501 -7.043 -4.899 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -1.029 -6.837 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.090 -8.415 -3.074 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -2.302 -4.891 -3.726 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -3.996 -5.414 -3.880 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.151 -5.581 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.893 -7.146 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.224 -7.438 -5.198 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.162 -5.836 -4.425 1.00 0.00 H new ATOM 282 N LYS A 40 -5.314 -8.222 -5.048 1.00 0.00 N ATOM 283 CA LYS A 40 -6.638 -8.011 -5.608 1.00 0.00 C ATOM 284 C LYS A 40 -7.690 -8.553 -4.639 1.00 0.00 C ATOM 285 O LYS A 40 -8.723 -7.922 -4.422 1.00 0.00 O ATOM 286 CB LYS A 40 -6.727 -8.616 -7.012 1.00 0.00 C ATOM 287 CG LYS A 40 -6.483 -7.550 -8.083 1.00 0.00 C ATOM 288 CD LYS A 40 -7.218 -7.899 -9.380 1.00 0.00 C ATOM 289 CE LYS A 40 -6.424 -7.433 -10.601 1.00 0.00 C ATOM 290 NZ LYS A 40 -6.818 -6.058 -10.982 1.00 0.00 N ATOM 0 H LYS A 40 -4.663 -8.712 -5.662 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.835 -6.946 -5.730 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -5.993 -9.415 -7.115 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.710 -9.065 -7.157 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -6.820 -6.580 -7.719 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -5.414 -7.463 -8.278 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -7.377 -8.976 -9.434 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -8.203 -7.431 -9.382 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -5.357 -7.464 -10.382 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -6.598 -8.112 -11.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.654 -5.919 -12.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.826 -5.915 -10.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -6.251 -5.373 -10.444 1.00 0.00 H new ATOM 304 N ARG A 41 -7.389 -9.716 -4.078 1.00 0.00 N ATOM 305 CA ARG A 41 -8.296 -10.348 -3.136 1.00 0.00 C ATOM 306 C ARG A 41 -8.202 -9.666 -1.770 1.00 0.00 C ATOM 307 O ARG A 41 -9.192 -9.587 -1.042 1.00 0.00 O ATOM 308 CB ARG A 41 -7.976 -11.836 -2.979 1.00 0.00 C ATOM 309 CG ARG A 41 -8.630 -12.659 -4.090 1.00 0.00 C ATOM 310 CD ARG A 41 -7.781 -12.634 -5.363 1.00 0.00 C ATOM 311 NE ARG A 41 -8.231 -13.694 -6.292 1.00 0.00 N ATOM 312 CZ ARG A 41 -9.356 -13.630 -7.017 1.00 0.00 C ATOM 313 NH1 ARG A 41 -10.153 -12.558 -6.924 1.00 0.00 N ATOM 314 NH2 ARG A 41 -9.685 -14.640 -7.835 1.00 0.00 N ATOM 0 H ARG A 41 -6.530 -10.236 -4.258 1.00 0.00 H new ATOM 0 HA ARG A 41 -9.308 -10.245 -3.528 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.896 -11.983 -3.000 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -8.326 -12.186 -2.008 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -8.761 -13.688 -3.756 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -9.623 -12.264 -4.303 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -7.861 -11.659 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -6.730 -12.781 -5.112 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.648 -14.526 -6.386 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -9.904 -11.790 -6.301 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -11.009 -12.510 -7.476 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.079 -15.457 -7.905 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.541 -14.591 -8.387 1.00 0.00 H new ATOM 328 N LYS A 42 -7.004 -9.191 -1.462 1.00 0.00 N ATOM 329 CA LYS A 42 -6.769 -8.518 -0.196 1.00 0.00 C ATOM 330 C LYS A 42 -7.557 -7.206 -0.166 1.00 0.00 C ATOM 331 O LYS A 42 -8.107 -6.832 0.869 1.00 0.00 O ATOM 332 CB LYS A 42 -5.269 -8.340 0.045 1.00 0.00 C ATOM 333 CG LYS A 42 -4.969 -8.176 1.537 1.00 0.00 C ATOM 334 CD LYS A 42 -4.358 -9.453 2.117 1.00 0.00 C ATOM 335 CE LYS A 42 -4.009 -9.272 3.596 1.00 0.00 C ATOM 336 NZ LYS A 42 -3.313 -10.471 4.115 1.00 0.00 N ATOM 0 H LYS A 42 -6.186 -9.259 -2.067 1.00 0.00 H new ATOM 0 HA LYS A 42 -7.132 -9.127 0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -4.729 -9.203 -0.345 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.911 -7.467 -0.500 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.284 -7.341 1.684 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -5.887 -7.933 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.059 -10.280 2.004 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.461 -9.717 1.558 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.376 -8.394 3.721 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -4.918 -9.094 4.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -3.083 -10.331 5.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -3.930 -11.302 4.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -2.436 -10.623 3.577 1.00 0.00 H new ATOM 350 N ILE A 43 -7.585 -6.544 -1.314 1.00 0.00 N ATOM 351 CA ILE A 43 -8.295 -5.282 -1.432 1.00 0.00 C ATOM 352 C ILE A 43 -9.788 -5.519 -1.192 1.00 0.00 C ATOM 353 O ILE A 43 -10.391 -4.879 -0.332 1.00 0.00 O ATOM 354 CB ILE A 43 -7.986 -4.617 -2.773 1.00 0.00 C ATOM 355 CG1 ILE A 43 -6.478 -4.426 -2.956 1.00 0.00 C ATOM 356 CG2 ILE A 43 -8.751 -3.300 -2.922 1.00 0.00 C ATOM 357 CD1 ILE A 43 -6.078 -4.599 -4.422 1.00 0.00 C ATOM 0 H ILE A 43 -7.128 -6.858 -2.170 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.956 -4.581 -0.670 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.327 -5.280 -3.568 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.189 -3.433 -2.611 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.939 -5.147 -2.341 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -8.513 -2.848 -3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -9.822 -3.493 -2.867 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -8.463 -2.620 -2.121 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.002 -4.458 -4.525 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -6.346 -5.601 -4.757 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.600 -3.861 -5.031 1.00 0.00 H new ATOM 369 N SER A 44 -10.342 -6.438 -1.969 1.00 0.00 N ATOM 370 CA SER A 44 -11.752 -6.766 -1.852 1.00 0.00 C ATOM 371 C SER A 44 -12.028 -7.409 -0.492 1.00 0.00 C ATOM 372 O SER A 44 -13.090 -7.200 0.093 1.00 0.00 O ATOM 373 CB SER A 44 -12.194 -7.701 -2.980 1.00 0.00 C ATOM 374 OG SER A 44 -13.611 -7.847 -3.027 1.00 0.00 O ATOM 0 H SER A 44 -9.839 -6.966 -2.682 1.00 0.00 H new ATOM 0 HA SER A 44 -12.326 -5.843 -1.934 1.00 0.00 H new ATOM 0 HB2 SER A 44 -11.838 -7.312 -3.934 1.00 0.00 H new ATOM 0 HB3 SER A 44 -11.733 -8.679 -2.842 1.00 0.00 H new ATOM 0 HG SER A 44 -13.854 -8.450 -3.761 1.00 0.00 H new ATOM 380 N GLU A 45 -11.055 -8.178 -0.026 1.00 0.00 N ATOM 381 CA GLU A 45 -11.181 -8.852 1.255 1.00 0.00 C ATOM 382 C GLU A 45 -11.438 -7.834 2.367 1.00 0.00 C ATOM 383 O GLU A 45 -12.116 -8.138 3.347 1.00 0.00 O ATOM 384 CB GLU A 45 -9.939 -9.693 1.556 1.00 0.00 C ATOM 385 CG GLU A 45 -10.094 -11.115 1.014 1.00 0.00 C ATOM 386 CD GLU A 45 -10.044 -12.142 2.148 1.00 0.00 C ATOM 387 OE1 GLU A 45 -9.142 -12.003 3.000 1.00 0.00 O ATOM 388 OE2 GLU A 45 -10.910 -13.043 2.135 1.00 0.00 O ATOM 0 H GLU A 45 -10.175 -8.349 -0.513 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.034 -9.529 1.206 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.062 -9.224 1.111 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.771 -9.727 2.632 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.040 -11.203 0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.301 -11.323 0.295 1.00 0.00 H new ATOM 395 N LEU A 46 -10.881 -6.647 2.179 1.00 0.00 N ATOM 396 CA LEU A 46 -11.041 -5.581 3.153 1.00 0.00 C ATOM 397 C LEU A 46 -12.367 -4.860 2.902 1.00 0.00 C ATOM 398 O LEU A 46 -12.937 -4.266 3.816 1.00 0.00 O ATOM 399 CB LEU A 46 -9.824 -4.654 3.140 1.00 0.00 C ATOM 400 CG LEU A 46 -9.899 -3.465 2.181 1.00 0.00 C ATOM 401 CD1 LEU A 46 -10.100 -2.156 2.947 1.00 0.00 C ATOM 402 CD2 LEU A 46 -8.669 -3.414 1.272 1.00 0.00 C ATOM 0 H LEU A 46 -10.318 -6.400 1.365 1.00 0.00 H new ATOM 0 HA LEU A 46 -11.088 -5.992 4.162 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.672 -4.272 4.150 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.944 -5.245 2.887 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.769 -3.599 1.538 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.150 -1.326 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.029 -2.206 3.515 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.265 -2.002 3.630 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.748 -2.559 0.600 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.770 -3.315 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.611 -4.331 0.686 1.00 0.00 H new ATOM 414 N GLY A 47 -12.819 -4.936 1.658 1.00 0.00 N ATOM 415 CA GLY A 47 -14.066 -4.298 1.275 1.00 0.00 C ATOM 416 C GLY A 47 -13.817 -3.155 0.287 1.00 0.00 C ATOM 417 O GLY A 47 -14.529 -2.153 0.299 1.00 0.00 O ATOM 0 H GLY A 47 -12.343 -5.430 0.903 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -14.732 -5.034 0.825 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -14.569 -3.913 2.162 1.00 0.00 H new ATOM 421 N PHE A 48 -12.804 -3.347 -0.545 1.00 0.00 N ATOM 422 CA PHE A 48 -12.452 -2.346 -1.538 1.00 0.00 C ATOM 423 C PHE A 48 -12.565 -2.915 -2.954 1.00 0.00 C ATOM 424 O PHE A 48 -12.886 -4.089 -3.133 1.00 0.00 O ATOM 425 CB PHE A 48 -10.998 -1.948 -1.275 1.00 0.00 C ATOM 426 CG PHE A 48 -10.818 -1.000 -0.088 1.00 0.00 C ATOM 427 CD1 PHE A 48 -11.906 -0.465 0.527 1.00 0.00 C ATOM 428 CD2 PHE A 48 -9.568 -0.690 0.350 1.00 0.00 C ATOM 429 CE1 PHE A 48 -11.739 0.414 1.629 1.00 0.00 C ATOM 430 CE2 PHE A 48 -9.401 0.190 1.452 1.00 0.00 C ATOM 431 CZ PHE A 48 -10.490 0.723 2.068 1.00 0.00 C ATOM 0 H PHE A 48 -12.216 -4.180 -0.552 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.127 -1.494 -1.463 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.411 -2.850 -1.099 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -10.594 -1.474 -2.170 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.898 -0.709 0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -8.703 -1.113 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.604 0.837 2.118 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -8.409 0.436 1.801 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.363 1.392 2.906 1.00 0.00 H new ATOM 441 N ASP A 49 -12.295 -2.055 -3.925 1.00 0.00 N ATOM 442 CA ASP A 49 -12.362 -2.457 -5.320 1.00 0.00 C ATOM 443 C ASP A 49 -10.970 -2.348 -5.945 1.00 0.00 C ATOM 444 O ASP A 49 -10.093 -1.677 -5.404 1.00 0.00 O ATOM 445 CB ASP A 49 -13.308 -1.551 -6.109 1.00 0.00 C ATOM 446 CG ASP A 49 -14.581 -2.230 -6.619 1.00 0.00 C ATOM 447 OD1 ASP A 49 -15.535 -2.319 -5.818 1.00 0.00 O ATOM 448 OD2 ASP A 49 -14.569 -2.646 -7.798 1.00 0.00 O ATOM 0 H ASP A 49 -12.030 -1.082 -3.774 1.00 0.00 H new ATOM 0 HA ASP A 49 -12.730 -3.482 -5.359 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -13.592 -0.709 -5.477 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -12.767 -1.141 -6.962 1.00 0.00 H new ATOM 453 N VAL A 50 -10.809 -3.017 -7.078 1.00 0.00 N ATOM 454 CA VAL A 50 -9.539 -3.004 -7.783 1.00 0.00 C ATOM 455 C VAL A 50 -9.797 -2.901 -9.287 1.00 0.00 C ATOM 456 O VAL A 50 -10.580 -3.670 -9.840 1.00 0.00 O ATOM 457 CB VAL A 50 -8.715 -4.235 -7.400 1.00 0.00 C ATOM 458 CG1 VAL A 50 -9.545 -5.513 -7.533 1.00 0.00 C ATOM 459 CG2 VAL A 50 -7.437 -4.321 -8.237 1.00 0.00 C ATOM 0 H VAL A 50 -11.539 -3.572 -7.525 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.950 -2.133 -7.494 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.424 -4.132 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -8.936 -6.373 -7.255 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.412 -5.454 -6.875 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -9.880 -5.624 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -6.870 -5.205 -7.945 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.698 -4.390 -9.293 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.832 -3.430 -8.070 1.00 0.00 H new ATOM 469 N LYS A 51 -9.123 -1.943 -9.907 1.00 0.00 N ATOM 470 CA LYS A 51 -9.269 -1.731 -11.337 1.00 0.00 C ATOM 471 C LYS A 51 -7.964 -2.110 -12.041 1.00 0.00 C ATOM 472 O LYS A 51 -6.880 -1.898 -11.503 1.00 0.00 O ATOM 473 CB LYS A 51 -9.726 -0.298 -11.622 1.00 0.00 C ATOM 474 CG LYS A 51 -10.899 0.092 -10.720 1.00 0.00 C ATOM 475 CD LYS A 51 -12.165 -0.677 -11.104 1.00 0.00 C ATOM 476 CE LYS A 51 -13.118 0.205 -11.913 1.00 0.00 C ATOM 477 NZ LYS A 51 -14.178 -0.617 -12.540 1.00 0.00 N ATOM 0 H LYS A 51 -8.475 -1.305 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 51 -10.049 -2.377 -11.740 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.896 0.391 -11.464 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -10.021 -0.207 -12.668 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.646 -0.113 -9.680 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -11.082 1.164 -10.798 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -11.897 -1.558 -11.686 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -12.667 -1.031 -10.204 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -13.568 0.956 -11.263 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.562 0.741 -12.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -14.816 -0.003 -13.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.744 -1.317 -13.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -14.719 -1.109 -11.800 1.00 0.00 H new ATOM 491 N SER A 52 -8.113 -2.666 -13.234 1.00 0.00 N ATOM 492 CA SER A 52 -6.961 -3.078 -14.019 1.00 0.00 C ATOM 493 C SER A 52 -6.694 -2.062 -15.131 1.00 0.00 C ATOM 494 O SER A 52 -7.509 -1.903 -16.039 1.00 0.00 O ATOM 495 CB SER A 52 -7.167 -4.473 -14.610 1.00 0.00 C ATOM 496 OG SER A 52 -6.466 -5.473 -13.876 1.00 0.00 O ATOM 0 H SER A 52 -9.015 -2.841 -13.677 1.00 0.00 H new ATOM 0 HA SER A 52 -6.095 -3.119 -13.359 1.00 0.00 H new ATOM 0 HB2 SER A 52 -8.231 -4.709 -14.619 1.00 0.00 H new ATOM 0 HB3 SER A 52 -6.830 -4.481 -15.646 1.00 0.00 H new ATOM 0 HG SER A 52 -6.625 -6.350 -14.284 1.00 0.00 H new ATOM 502 N GLU A 53 -5.552 -1.401 -15.024 1.00 0.00 N ATOM 503 CA GLU A 53 -5.168 -0.404 -16.010 1.00 0.00 C ATOM 504 C GLU A 53 -3.921 -0.862 -16.768 1.00 0.00 C ATOM 505 O GLU A 53 -2.798 -0.596 -16.342 1.00 0.00 O ATOM 506 CB GLU A 53 -4.941 0.958 -15.353 1.00 0.00 C ATOM 507 CG GLU A 53 -6.051 1.942 -15.732 1.00 0.00 C ATOM 508 CD GLU A 53 -6.147 3.079 -14.714 1.00 0.00 C ATOM 509 OE1 GLU A 53 -5.337 4.023 -14.839 1.00 0.00 O ATOM 510 OE2 GLU A 53 -7.031 2.980 -13.835 1.00 0.00 O ATOM 0 H GLU A 53 -4.879 -1.536 -14.269 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.984 -0.294 -16.724 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.907 0.842 -14.270 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.975 1.358 -15.661 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.856 2.352 -16.723 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -7.004 1.417 -15.787 1.00 0.00 H new ATOM 517 N GLY A 54 -4.159 -1.542 -17.881 1.00 0.00 N ATOM 518 CA GLY A 54 -3.070 -2.038 -18.703 1.00 0.00 C ATOM 519 C GLY A 54 -2.338 -3.188 -18.007 1.00 0.00 C ATOM 520 O GLY A 54 -2.841 -4.308 -17.956 1.00 0.00 O ATOM 0 H GLY A 54 -5.091 -1.761 -18.232 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.459 -2.378 -19.663 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.369 -1.229 -18.912 1.00 0.00 H new ATOM 524 N ASP A 55 -1.160 -2.870 -17.489 1.00 0.00 N ATOM 525 CA ASP A 55 -0.354 -3.861 -16.797 1.00 0.00 C ATOM 526 C ASP A 55 -0.159 -3.430 -15.343 1.00 0.00 C ATOM 527 O ASP A 55 0.471 -4.141 -14.560 1.00 0.00 O ATOM 528 CB ASP A 55 1.027 -3.993 -17.441 1.00 0.00 C ATOM 529 CG ASP A 55 1.397 -5.406 -17.897 1.00 0.00 C ATOM 530 OD1 ASP A 55 0.478 -6.109 -18.368 1.00 0.00 O ATOM 531 OD2 ASP A 55 2.592 -5.752 -17.762 1.00 0.00 O ATOM 0 H ASP A 55 -0.745 -1.939 -17.535 1.00 0.00 H new ATOM 0 HA ASP A 55 -0.873 -4.818 -16.855 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.075 -3.326 -18.302 1.00 0.00 H new ATOM 0 HB3 ASP A 55 1.777 -3.649 -16.729 1.00 0.00 H new ATOM 536 N LEU A 56 -0.709 -2.269 -15.024 1.00 0.00 N ATOM 537 CA LEU A 56 -0.604 -1.734 -13.677 1.00 0.00 C ATOM 538 C LEU A 56 -1.866 -2.093 -12.891 1.00 0.00 C ATOM 539 O LEU A 56 -2.907 -2.379 -13.479 1.00 0.00 O ATOM 540 CB LEU A 56 -0.309 -0.233 -13.718 1.00 0.00 C ATOM 541 CG LEU A 56 0.913 0.190 -14.534 1.00 0.00 C ATOM 542 CD1 LEU A 56 1.564 1.440 -13.941 1.00 0.00 C ATOM 543 CD2 LEU A 56 1.909 -0.966 -14.668 1.00 0.00 C ATOM 0 H LEU A 56 -1.230 -1.682 -15.676 1.00 0.00 H new ATOM 0 HA LEU A 56 0.238 -2.185 -13.152 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -1.184 0.278 -14.120 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -0.177 0.119 -12.695 1.00 0.00 H new ATOM 0 HG LEU A 56 0.579 0.448 -15.539 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.430 1.718 -14.541 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.845 2.259 -13.940 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.882 1.235 -12.919 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.769 -0.639 -15.253 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.241 -1.277 -13.677 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.427 -1.805 -15.170 1.00 0.00 H new ATOM 555 N ILE A 57 -1.731 -2.065 -11.573 1.00 0.00 N ATOM 556 CA ILE A 57 -2.847 -2.384 -10.699 1.00 0.00 C ATOM 557 C ILE A 57 -3.360 -1.100 -10.044 1.00 0.00 C ATOM 558 O ILE A 57 -2.570 -0.253 -9.628 1.00 0.00 O ATOM 559 CB ILE A 57 -2.451 -3.469 -9.697 1.00 0.00 C ATOM 560 CG1 ILE A 57 -3.570 -4.501 -9.533 1.00 0.00 C ATOM 561 CG2 ILE A 57 -2.037 -2.855 -8.358 1.00 0.00 C ATOM 562 CD1 ILE A 57 -3.334 -5.376 -8.301 1.00 0.00 C ATOM 0 H ILE A 57 -0.865 -1.826 -11.089 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.673 -2.801 -11.275 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.583 -3.996 -10.092 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -4.529 -3.991 -9.443 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -3.625 -5.128 -10.423 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -1.760 -3.649 -7.664 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -1.185 -2.192 -8.510 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.870 -2.286 -7.945 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.144 -6.100 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.386 -5.903 -8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.304 -4.749 -7.410 1.00 0.00 H new ATOM 574 N ILE A 58 -4.679 -0.996 -9.973 1.00 0.00 N ATOM 575 CA ILE A 58 -5.305 0.171 -9.376 1.00 0.00 C ATOM 576 C ILE A 58 -6.166 -0.268 -8.190 1.00 0.00 C ATOM 577 O ILE A 58 -6.883 -1.265 -8.273 1.00 0.00 O ATOM 578 CB ILE A 58 -6.074 0.967 -10.433 1.00 0.00 C ATOM 579 CG1 ILE A 58 -5.221 1.185 -11.684 1.00 0.00 C ATOM 580 CG2 ILE A 58 -6.594 2.285 -9.856 1.00 0.00 C ATOM 581 CD1 ILE A 58 -4.195 2.297 -11.460 1.00 0.00 C ATOM 0 H ILE A 58 -5.331 -1.700 -10.319 1.00 0.00 H new ATOM 0 HA ILE A 58 -4.548 0.852 -8.986 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.943 0.383 -10.735 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.708 0.259 -11.945 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.863 1.442 -12.526 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.137 2.831 -10.628 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -7.262 2.078 -9.020 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.754 2.887 -9.508 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.602 2.432 -12.364 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.712 3.227 -11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.539 2.026 -10.633 1.00 0.00 H new ATOM 593 N ALA A 59 -6.068 0.497 -7.113 1.00 0.00 N ATOM 594 CA ALA A 59 -6.830 0.198 -5.912 1.00 0.00 C ATOM 595 C ALA A 59 -7.977 1.202 -5.777 1.00 0.00 C ATOM 596 O ALA A 59 -7.844 2.359 -6.174 1.00 0.00 O ATOM 597 CB ALA A 59 -5.896 0.215 -4.699 1.00 0.00 C ATOM 0 H ALA A 59 -5.473 1.323 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 59 -7.269 -0.798 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.466 -0.009 -3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -5.115 -0.534 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -5.440 1.201 -4.604 1.00 0.00 H new ATOM 603 N SER A 60 -9.078 0.722 -5.218 1.00 0.00 N ATOM 604 CA SER A 60 -10.247 1.564 -5.026 1.00 0.00 C ATOM 605 C SER A 60 -10.528 1.737 -3.531 1.00 0.00 C ATOM 606 O SER A 60 -10.996 0.810 -2.873 1.00 0.00 O ATOM 607 CB SER A 60 -11.471 0.975 -5.731 1.00 0.00 C ATOM 608 OG SER A 60 -12.113 1.929 -6.571 1.00 0.00 O ATOM 0 H SER A 60 -9.186 -0.239 -4.892 1.00 0.00 H new ATOM 0 HA SER A 60 -10.042 2.540 -5.466 1.00 0.00 H new ATOM 0 HB2 SER A 60 -11.167 0.114 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 60 -12.179 0.613 -4.986 1.00 0.00 H new ATOM 0 HG SER A 60 -12.888 1.514 -7.004 1.00 0.00 H new ATOM 614 N ILE A 61 -10.232 2.931 -3.041 1.00 0.00 N ATOM 615 CA ILE A 61 -10.446 3.239 -1.637 1.00 0.00 C ATOM 616 C ILE A 61 -11.220 4.552 -1.519 1.00 0.00 C ATOM 617 O ILE A 61 -11.138 5.407 -2.401 1.00 0.00 O ATOM 618 CB ILE A 61 -9.118 3.236 -0.878 1.00 0.00 C ATOM 619 CG1 ILE A 61 -8.352 4.541 -1.111 1.00 0.00 C ATOM 620 CG2 ILE A 61 -8.282 2.007 -1.240 1.00 0.00 C ATOM 621 CD1 ILE A 61 -7.040 4.552 -0.326 1.00 0.00 C ATOM 0 H ILE A 61 -9.845 3.698 -3.591 1.00 0.00 H new ATOM 0 HA ILE A 61 -11.055 2.467 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 61 -9.333 3.175 0.189 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -8.145 4.661 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.968 5.388 -0.809 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.343 2.030 -0.687 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.834 1.103 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.073 2.012 -2.310 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.515 5.489 -0.508 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -7.252 4.456 0.739 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.416 3.718 -0.648 1.00 0.00 H new ATOM 633 N PRO A 62 -11.975 4.677 -0.394 1.00 0.00 N ATOM 634 CA PRO A 62 -12.763 5.872 -0.150 1.00 0.00 C ATOM 635 C PRO A 62 -11.870 7.039 0.278 1.00 0.00 C ATOM 636 O PRO A 62 -10.972 6.870 1.100 1.00 0.00 O ATOM 637 CB PRO A 62 -13.767 5.471 0.917 1.00 0.00 C ATOM 638 CG PRO A 62 -13.209 4.213 1.563 1.00 0.00 C ATOM 639 CD PRO A 62 -12.098 3.686 0.671 1.00 0.00 C ATOM 0 HA PRO A 62 -13.274 6.228 -1.044 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -13.893 6.265 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -14.748 5.283 0.480 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.827 4.433 2.560 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.992 3.464 1.680 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -11.164 3.580 1.223 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -12.345 2.703 0.270 1.00 0.00 H new ATOM 647 N GLY A 63 -12.150 8.199 -0.299 1.00 0.00 N ATOM 648 CA GLY A 63 -11.383 9.394 0.013 1.00 0.00 C ATOM 649 C GLY A 63 -10.300 9.639 -1.039 1.00 0.00 C ATOM 650 O GLY A 63 -9.878 10.776 -1.247 1.00 0.00 O ATOM 0 H GLY A 63 -12.897 8.337 -0.980 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -12.049 10.256 0.062 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.924 9.290 0.996 1.00 0.00 H new ATOM 654 N ILE A 64 -9.879 8.554 -1.673 1.00 0.00 N ATOM 655 CA ILE A 64 -8.853 8.638 -2.697 1.00 0.00 C ATOM 656 C ILE A 64 -9.487 8.408 -4.070 1.00 0.00 C ATOM 657 O ILE A 64 -10.446 7.648 -4.194 1.00 0.00 O ATOM 658 CB ILE A 64 -7.703 7.678 -2.383 1.00 0.00 C ATOM 659 CG1 ILE A 64 -6.788 8.255 -1.299 1.00 0.00 C ATOM 660 CG2 ILE A 64 -6.929 7.314 -3.652 1.00 0.00 C ATOM 661 CD1 ILE A 64 -7.109 7.651 0.069 1.00 0.00 C ATOM 0 H ILE A 64 -10.230 7.613 -1.497 1.00 0.00 H new ATOM 0 HA ILE A 64 -8.412 9.635 -2.712 1.00 0.00 H new ATOM 0 HB ILE A 64 -8.127 6.754 -1.989 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -5.747 8.056 -1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.904 9.338 -1.259 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -6.118 6.631 -3.400 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -7.601 6.833 -4.363 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -6.516 8.219 -4.098 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -6.445 8.078 0.820 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.143 7.873 0.331 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -6.968 6.571 0.032 1.00 0.00 H new ATOM 673 N SER A 65 -8.926 9.076 -5.067 1.00 0.00 N ATOM 674 CA SER A 65 -9.424 8.953 -6.425 1.00 0.00 C ATOM 675 C SER A 65 -8.898 7.667 -7.063 1.00 0.00 C ATOM 676 O SER A 65 -9.676 6.784 -7.421 1.00 0.00 O ATOM 677 CB SER A 65 -9.026 10.166 -7.270 1.00 0.00 C ATOM 678 OG SER A 65 -10.010 11.197 -7.221 1.00 0.00 O ATOM 0 H SER A 65 -8.130 9.705 -4.960 1.00 0.00 H new ATOM 0 HA SER A 65 -10.513 8.912 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.073 10.558 -6.916 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.878 9.855 -8.304 1.00 0.00 H new ATOM 0 HG SER A 65 -9.718 11.954 -7.771 1.00 0.00 H new ATOM 684 N ARG A 66 -7.580 7.601 -7.183 1.00 0.00 N ATOM 685 CA ARG A 66 -6.940 6.436 -7.771 1.00 0.00 C ATOM 686 C ARG A 66 -5.502 6.308 -7.265 1.00 0.00 C ATOM 687 O ARG A 66 -4.824 7.313 -7.050 1.00 0.00 O ATOM 688 CB ARG A 66 -6.930 6.526 -9.299 1.00 0.00 C ATOM 689 CG ARG A 66 -6.163 7.763 -9.771 1.00 0.00 C ATOM 690 CD ARG A 66 -4.825 7.372 -10.400 1.00 0.00 C ATOM 691 NE ARG A 66 -4.236 8.536 -11.100 1.00 0.00 N ATOM 692 CZ ARG A 66 -4.677 9.007 -12.274 1.00 0.00 C ATOM 693 NH1 ARG A 66 -5.712 8.418 -12.887 1.00 0.00 N ATOM 694 NH2 ARG A 66 -4.080 10.068 -12.837 1.00 0.00 N ATOM 0 H ARG A 66 -6.938 8.335 -6.883 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.513 5.557 -7.474 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -6.473 5.629 -9.717 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.954 6.565 -9.671 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -6.763 8.312 -10.496 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -5.991 8.432 -8.928 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -4.141 7.017 -9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -4.970 6.550 -11.101 1.00 0.00 H new ATOM 0 HE ARG A 66 -3.446 9.009 -10.661 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -6.165 7.610 -12.460 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -6.047 8.777 -13.781 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -3.291 10.516 -12.371 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -4.415 10.427 -13.731 1.00 0.00 H new ATOM 708 N ILE A 67 -5.079 5.065 -7.090 1.00 0.00 N ATOM 709 CA ILE A 67 -3.733 4.794 -6.612 1.00 0.00 C ATOM 710 C ILE A 67 -3.136 3.637 -7.416 1.00 0.00 C ATOM 711 O ILE A 67 -3.859 2.755 -7.875 1.00 0.00 O ATOM 712 CB ILE A 67 -3.739 4.555 -5.101 1.00 0.00 C ATOM 713 CG1 ILE A 67 -4.786 3.507 -4.715 1.00 0.00 C ATOM 714 CG2 ILE A 67 -3.933 5.867 -4.338 1.00 0.00 C ATOM 715 CD1 ILE A 67 -6.110 4.171 -4.334 1.00 0.00 C ATOM 0 H ILE A 67 -5.643 4.235 -7.270 1.00 0.00 H new ATOM 0 HA ILE A 67 -3.090 5.659 -6.771 1.00 0.00 H new ATOM 0 HB ILE A 67 -2.765 4.158 -4.815 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.945 2.822 -5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -4.419 2.912 -3.879 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -3.933 5.668 -3.266 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -3.120 6.552 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -4.884 6.317 -4.624 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -6.837 3.405 -4.064 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -5.952 4.837 -3.485 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -6.486 4.745 -5.181 1.00 0.00 H new ATOM 727 N GLU A 68 -1.819 3.678 -7.561 1.00 0.00 N ATOM 728 CA GLU A 68 -1.116 2.645 -8.303 1.00 0.00 C ATOM 729 C GLU A 68 -0.187 1.863 -7.370 1.00 0.00 C ATOM 730 O GLU A 68 0.505 2.452 -6.542 1.00 0.00 O ATOM 731 CB GLU A 68 -0.338 3.244 -9.476 1.00 0.00 C ATOM 732 CG GLU A 68 -1.103 3.066 -10.789 1.00 0.00 C ATOM 733 CD GLU A 68 -0.574 4.017 -11.864 1.00 0.00 C ATOM 734 OE1 GLU A 68 -0.067 5.091 -11.474 1.00 0.00 O ATOM 735 OE2 GLU A 68 -0.688 3.647 -13.053 1.00 0.00 O ATOM 0 H GLU A 68 -1.221 4.410 -7.177 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.852 1.955 -8.715 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.160 4.304 -9.296 1.00 0.00 H new ATOM 0 HB3 GLU A 68 0.638 2.765 -9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.009 2.036 -11.132 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.164 3.252 -10.624 1.00 0.00 H new ATOM 742 N ILE A 69 -0.203 0.549 -7.538 1.00 0.00 N ATOM 743 CA ILE A 69 0.631 -0.320 -6.723 1.00 0.00 C ATOM 744 C ILE A 69 1.436 -1.249 -7.633 1.00 0.00 C ATOM 745 O ILE A 69 0.945 -1.678 -8.677 1.00 0.00 O ATOM 746 CB ILE A 69 -0.220 -1.058 -5.687 1.00 0.00 C ATOM 747 CG1 ILE A 69 -0.688 -0.106 -4.583 1.00 0.00 C ATOM 748 CG2 ILE A 69 0.531 -2.265 -5.122 1.00 0.00 C ATOM 749 CD1 ILE A 69 -1.918 0.687 -5.029 1.00 0.00 C ATOM 0 H ILE A 69 -0.780 0.065 -8.226 1.00 0.00 H new ATOM 0 HA ILE A 69 1.351 0.267 -6.152 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.112 -1.437 -6.185 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.924 -0.674 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.118 0.581 -4.324 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.095 -2.772 -4.388 1.00 0.00 H new ATOM 0 HG22 ILE A 69 0.773 -2.954 -5.931 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.451 -1.930 -4.644 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.230 1.356 -4.227 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.672 1.273 -5.915 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -2.730 -0.002 -5.264 1.00 0.00 H new ATOM 761 N LYS A 70 2.657 -1.531 -7.206 1.00 0.00 N ATOM 762 CA LYS A 70 3.535 -2.401 -7.969 1.00 0.00 C ATOM 763 C LYS A 70 4.212 -3.395 -7.022 1.00 0.00 C ATOM 764 O LYS A 70 5.273 -3.108 -6.471 1.00 0.00 O ATOM 765 CB LYS A 70 4.519 -1.576 -8.799 1.00 0.00 C ATOM 766 CG LYS A 70 4.052 -1.464 -10.253 1.00 0.00 C ATOM 767 CD LYS A 70 3.125 -0.261 -10.440 1.00 0.00 C ATOM 768 CE LYS A 70 3.915 1.048 -10.425 1.00 0.00 C ATOM 769 NZ LYS A 70 3.135 2.132 -11.062 1.00 0.00 N ATOM 0 H LYS A 70 3.060 -1.172 -6.340 1.00 0.00 H new ATOM 0 HA LYS A 70 2.960 -2.985 -8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.618 -0.580 -8.368 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.506 -2.038 -8.765 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.916 -1.367 -10.910 1.00 0.00 H new ATOM 0 HG3 LYS A 70 3.532 -2.377 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 70 2.588 -0.355 -11.384 1.00 0.00 H new ATOM 0 HD3 LYS A 70 2.377 -0.247 -9.647 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.157 1.322 -9.398 1.00 0.00 H new ATOM 0 HE3 LYS A 70 4.860 0.915 -10.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.302 3.024 -10.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.432 2.237 -12.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.122 1.898 -11.027 1.00 0.00 H new ATOM 783 N PRO A 71 3.552 -4.573 -6.856 1.00 0.00 N ATOM 784 CA PRO A 71 4.079 -5.609 -5.986 1.00 0.00 C ATOM 785 C PRO A 71 5.264 -6.324 -6.637 1.00 0.00 C ATOM 786 O PRO A 71 5.155 -6.818 -7.758 1.00 0.00 O ATOM 787 CB PRO A 71 2.903 -6.533 -5.717 1.00 0.00 C ATOM 788 CG PRO A 71 1.887 -6.245 -6.812 1.00 0.00 C ATOM 789 CD PRO A 71 2.293 -4.947 -7.494 1.00 0.00 C ATOM 0 HA PRO A 71 4.477 -5.211 -5.053 1.00 0.00 H new ATOM 0 HB2 PRO A 71 3.214 -7.577 -5.738 1.00 0.00 H new ATOM 0 HB3 PRO A 71 2.478 -6.347 -4.731 1.00 0.00 H new ATOM 0 HG2 PRO A 71 1.860 -7.063 -7.532 1.00 0.00 H new ATOM 0 HG3 PRO A 71 0.886 -6.158 -6.391 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.419 -5.086 -8.568 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.536 -4.175 -7.359 1.00 0.00 H new ATOM 797 N ASP A 72 6.370 -6.355 -5.908 1.00 0.00 N ATOM 798 CA ASP A 72 7.574 -7.001 -6.402 1.00 0.00 C ATOM 799 C ASP A 72 8.100 -7.969 -5.340 1.00 0.00 C ATOM 800 O ASP A 72 7.874 -7.770 -4.147 1.00 0.00 O ATOM 801 CB ASP A 72 8.671 -5.974 -6.691 1.00 0.00 C ATOM 802 CG ASP A 72 9.372 -6.139 -8.041 1.00 0.00 C ATOM 803 OD1 ASP A 72 8.699 -6.631 -8.973 1.00 0.00 O ATOM 804 OD2 ASP A 72 10.564 -5.772 -8.109 1.00 0.00 O ATOM 0 H ASP A 72 6.457 -5.943 -4.979 1.00 0.00 H new ATOM 0 HA ASP A 72 7.321 -7.527 -7.323 1.00 0.00 H new ATOM 0 HB2 ASP A 72 8.235 -4.976 -6.645 1.00 0.00 H new ATOM 0 HB3 ASP A 72 9.419 -6.032 -5.901 1.00 0.00 H new ATOM 809 N LYS A 73 8.794 -8.994 -5.812 1.00 0.00 N ATOM 810 CA LYS A 73 9.354 -9.992 -4.918 1.00 0.00 C ATOM 811 C LYS A 73 10.210 -9.298 -3.856 1.00 0.00 C ATOM 812 O LYS A 73 10.236 -9.719 -2.702 1.00 0.00 O ATOM 813 CB LYS A 73 10.107 -11.062 -5.712 1.00 0.00 C ATOM 814 CG LYS A 73 11.275 -10.448 -6.485 1.00 0.00 C ATOM 815 CD LYS A 73 12.157 -11.537 -7.102 1.00 0.00 C ATOM 816 CE LYS A 73 13.449 -10.942 -7.668 1.00 0.00 C ATOM 817 NZ LYS A 73 14.315 -12.010 -8.215 1.00 0.00 N ATOM 0 H LYS A 73 8.981 -9.155 -6.802 1.00 0.00 H new ATOM 0 HA LYS A 73 8.559 -10.520 -4.392 1.00 0.00 H new ATOM 0 HB2 LYS A 73 10.479 -11.830 -5.033 1.00 0.00 H new ATOM 0 HB3 LYS A 73 9.425 -11.553 -6.406 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.893 -9.796 -7.270 1.00 0.00 H new ATOM 0 HG3 LYS A 73 11.872 -9.827 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.397 -12.286 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 73 11.610 -12.047 -7.895 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.212 -10.221 -8.451 1.00 0.00 H new ATOM 0 HE3 LYS A 73 13.980 -10.400 -6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.187 -11.589 -8.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.556 -12.683 -7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.812 -12.509 -8.976 1.00 0.00 H new ATOM 831 N ARG A 74 10.892 -8.246 -4.288 1.00 0.00 N ATOM 832 CA ARG A 74 11.748 -7.490 -3.389 1.00 0.00 C ATOM 833 C ARG A 74 10.899 -6.696 -2.392 1.00 0.00 C ATOM 834 O ARG A 74 10.905 -6.988 -1.198 1.00 0.00 O ATOM 835 CB ARG A 74 12.645 -6.525 -4.167 1.00 0.00 C ATOM 836 CG ARG A 74 14.102 -6.652 -3.719 1.00 0.00 C ATOM 837 CD ARG A 74 14.280 -6.163 -2.281 1.00 0.00 C ATOM 838 NE ARG A 74 15.016 -7.174 -1.490 1.00 0.00 N ATOM 839 CZ ARG A 74 15.243 -7.077 -0.172 1.00 0.00 C ATOM 840 NH1 ARG A 74 14.794 -6.013 0.509 1.00 0.00 N ATOM 841 NH2 ARG A 74 15.920 -8.043 0.464 1.00 0.00 N ATOM 0 H ARG A 74 10.869 -7.900 -5.247 1.00 0.00 H new ATOM 0 HA ARG A 74 12.377 -8.200 -2.852 1.00 0.00 H new ATOM 0 HB2 ARG A 74 12.569 -6.732 -5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 74 12.302 -5.501 -4.016 1.00 0.00 H new ATOM 0 HG2 ARG A 74 14.420 -7.692 -3.795 1.00 0.00 H new ATOM 0 HG3 ARG A 74 14.742 -6.074 -4.385 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.823 -5.218 -2.274 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.306 -5.974 -1.829 1.00 0.00 H new ATOM 0 HE ARG A 74 15.373 -7.996 -1.978 1.00 0.00 H new ATOM 0 HH11 ARG A 74 14.280 -5.277 0.025 1.00 0.00 H new ATOM 0 HH12 ARG A 74 14.967 -5.939 1.512 1.00 0.00 H new ATOM 0 HH21 ARG A 74 16.263 -8.852 -0.055 1.00 0.00 H new ATOM 0 HH22 ARG A 74 16.093 -7.969 1.467 1.00 0.00 H new ATOM 855 N LYS A 75 10.193 -5.708 -2.921 1.00 0.00 N ATOM 856 CA LYS A 75 9.343 -4.870 -2.093 1.00 0.00 C ATOM 857 C LYS A 75 8.189 -4.327 -2.938 1.00 0.00 C ATOM 858 O LYS A 75 8.075 -4.651 -4.119 1.00 0.00 O ATOM 859 CB LYS A 75 10.168 -3.780 -1.406 1.00 0.00 C ATOM 860 CG LYS A 75 11.049 -3.043 -2.417 1.00 0.00 C ATOM 861 CD LYS A 75 12.515 -3.059 -1.980 1.00 0.00 C ATOM 862 CE LYS A 75 12.771 -2.034 -0.874 1.00 0.00 C ATOM 863 NZ LYS A 75 14.095 -1.398 -1.052 1.00 0.00 N ATOM 0 H LYS A 75 10.192 -5.469 -3.913 1.00 0.00 H new ATOM 0 HA LYS A 75 8.900 -5.457 -1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 9.503 -3.071 -0.913 1.00 0.00 H new ATOM 0 HB3 LYS A 75 10.792 -4.225 -0.630 1.00 0.00 H new ATOM 0 HG2 LYS A 75 10.953 -3.510 -3.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 10.708 -2.013 -2.520 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.781 -4.055 -1.626 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.155 -2.843 -2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 75 11.991 -1.273 -0.888 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.723 -2.522 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.252 -0.705 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 14.837 -2.126 -1.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 14.127 -0.916 -1.973 1.00 0.00 H new ATOM 877 N ILE A 76 7.364 -3.509 -2.300 1.00 0.00 N ATOM 878 CA ILE A 76 6.224 -2.918 -2.981 1.00 0.00 C ATOM 879 C ILE A 76 6.279 -1.396 -2.829 1.00 0.00 C ATOM 880 O ILE A 76 6.948 -0.881 -1.934 1.00 0.00 O ATOM 881 CB ILE A 76 4.919 -3.540 -2.480 1.00 0.00 C ATOM 882 CG1 ILE A 76 4.491 -2.916 -1.149 1.00 0.00 C ATOM 883 CG2 ILE A 76 5.037 -5.062 -2.388 1.00 0.00 C ATOM 884 CD1 ILE A 76 3.090 -3.386 -0.749 1.00 0.00 C ATOM 0 H ILE A 76 7.462 -3.242 -1.320 1.00 0.00 H new ATOM 0 HA ILE A 76 6.263 -3.134 -4.049 1.00 0.00 H new ATOM 0 HB ILE A 76 4.135 -3.322 -3.205 1.00 0.00 H new ATOM 0 HG12 ILE A 76 5.205 -3.185 -0.371 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.504 -1.829 -1.232 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.096 -5.479 -2.029 1.00 0.00 H new ATOM 0 HG22 ILE A 76 5.262 -5.470 -3.373 1.00 0.00 H new ATOM 0 HG23 ILE A 76 5.837 -5.324 -1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.810 -2.928 0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.375 -3.094 -1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 76 3.086 -4.471 -0.644 1.00 0.00 H new ATOM 896 N LEU A 77 5.565 -0.719 -3.715 1.00 0.00 N ATOM 897 CA LEU A 77 5.522 0.734 -3.690 1.00 0.00 C ATOM 898 C LEU A 77 4.147 1.208 -4.161 1.00 0.00 C ATOM 899 O LEU A 77 3.481 0.522 -4.934 1.00 0.00 O ATOM 900 CB LEU A 77 6.683 1.317 -4.498 1.00 0.00 C ATOM 901 CG LEU A 77 7.225 0.436 -5.625 1.00 0.00 C ATOM 902 CD1 LEU A 77 7.972 -0.775 -5.065 1.00 0.00 C ATOM 903 CD2 LEU A 77 6.106 0.026 -6.586 1.00 0.00 C ATOM 0 H LEU A 77 5.011 -1.149 -4.456 1.00 0.00 H new ATOM 0 HA LEU A 77 5.654 1.102 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.360 2.265 -4.928 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.501 1.540 -3.813 1.00 0.00 H new ATOM 0 HG LEU A 77 7.945 1.020 -6.198 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.347 -1.384 -5.888 1.00 0.00 H new ATOM 0 HD12 LEU A 77 8.809 -0.436 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.294 -1.370 -4.453 1.00 0.00 H new ATOM 0 HD21 LEU A 77 6.518 -0.600 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.345 -0.532 -6.041 1.00 0.00 H new ATOM 0 HD23 LEU A 77 5.658 0.918 -7.024 1.00 0.00 H new ATOM 915 N VAL A 78 3.762 2.380 -3.675 1.00 0.00 N ATOM 916 CA VAL A 78 2.477 2.954 -4.036 1.00 0.00 C ATOM 917 C VAL A 78 2.667 4.426 -4.407 1.00 0.00 C ATOM 918 O VAL A 78 3.556 5.093 -3.878 1.00 0.00 O ATOM 919 CB VAL A 78 1.473 2.749 -2.900 1.00 0.00 C ATOM 920 CG1 VAL A 78 0.038 2.941 -3.394 1.00 0.00 C ATOM 921 CG2 VAL A 78 1.652 1.374 -2.252 1.00 0.00 C ATOM 0 H VAL A 78 4.318 2.947 -3.035 1.00 0.00 H new ATOM 0 HA VAL A 78 2.066 2.448 -4.910 1.00 0.00 H new ATOM 0 HB VAL A 78 1.668 3.505 -2.140 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -0.655 2.790 -2.566 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.080 3.951 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -0.175 2.219 -4.182 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.926 1.254 -1.448 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.497 0.596 -3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.660 1.291 -1.846 1.00 0.00 H new ATOM 931 N ASN A 79 1.819 4.889 -5.313 1.00 0.00 N ATOM 932 CA ASN A 79 1.883 6.270 -5.761 1.00 0.00 C ATOM 933 C ASN A 79 0.471 6.859 -5.787 1.00 0.00 C ATOM 934 O ASN A 79 -0.417 6.323 -6.447 1.00 0.00 O ATOM 935 CB ASN A 79 2.460 6.365 -7.175 1.00 0.00 C ATOM 936 CG ASN A 79 3.370 7.587 -7.314 1.00 0.00 C ATOM 937 OD1 ASN A 79 3.579 8.348 -6.383 1.00 0.00 O ATOM 938 ND2 ASN A 79 3.899 7.732 -8.525 1.00 0.00 N ATOM 0 H ASN A 79 1.084 4.333 -5.749 1.00 0.00 H new ATOM 0 HA ASN A 79 2.525 6.818 -5.072 1.00 0.00 H new ATOM 0 HB2 ASN A 79 3.023 5.460 -7.404 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.648 6.427 -7.900 1.00 0.00 H new ATOM 0 HD21 ASN A 79 4.521 8.517 -8.719 1.00 0.00 H new ATOM 0 HD22 ASN A 79 3.683 7.059 -9.260 1.00 0.00 H new ATOM 945 N THR A 80 0.307 7.955 -5.059 1.00 0.00 N ATOM 946 CA THR A 80 -0.981 8.623 -4.990 1.00 0.00 C ATOM 947 C THR A 80 -1.042 9.770 -6.001 1.00 0.00 C ATOM 948 O THR A 80 -0.106 10.560 -6.105 1.00 0.00 O ATOM 949 CB THR A 80 -1.203 9.073 -3.546 1.00 0.00 C ATOM 950 OG1 THR A 80 -0.163 10.020 -3.313 1.00 0.00 O ATOM 951 CG2 THR A 80 -0.924 7.958 -2.536 1.00 0.00 C ATOM 0 H THR A 80 1.046 8.397 -4.512 1.00 0.00 H new ATOM 0 HA THR A 80 -1.792 7.948 -5.263 1.00 0.00 H new ATOM 0 HB THR A 80 -2.229 9.421 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.233 10.365 -2.398 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.097 8.330 -1.526 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.588 7.116 -2.731 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.112 7.632 -2.630 1.00 0.00 H new ATOM 959 N GLY A 81 -2.153 9.823 -6.721 1.00 0.00 N ATOM 960 CA GLY A 81 -2.348 10.861 -7.719 1.00 0.00 C ATOM 961 C GLY A 81 -2.479 12.236 -7.063 1.00 0.00 C ATOM 962 O GLY A 81 -1.487 12.937 -6.875 1.00 0.00 O ATOM 0 H GLY A 81 -2.927 9.164 -6.633 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.508 10.864 -8.414 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -3.243 10.646 -8.302 1.00 0.00 H new ATOM 966 N ASP A 82 -3.715 12.581 -6.730 1.00 0.00 N ATOM 967 CA ASP A 82 -3.990 13.861 -6.099 1.00 0.00 C ATOM 968 C ASP A 82 -5.146 13.699 -5.109 1.00 0.00 C ATOM 969 O ASP A 82 -6.296 13.536 -5.515 1.00 0.00 O ATOM 970 CB ASP A 82 -4.398 14.911 -7.134 1.00 0.00 C ATOM 971 CG ASP A 82 -3.871 16.322 -6.868 1.00 0.00 C ATOM 972 OD1 ASP A 82 -2.637 16.493 -6.962 1.00 0.00 O ATOM 973 OD2 ASP A 82 -4.716 17.196 -6.575 1.00 0.00 O ATOM 0 H ASP A 82 -4.536 11.997 -6.885 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.082 14.188 -5.593 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -4.048 14.588 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.486 14.949 -7.181 1.00 0.00 H new ATOM 978 N TYR A 83 -4.800 13.748 -3.831 1.00 0.00 N ATOM 979 CA TYR A 83 -5.794 13.608 -2.781 1.00 0.00 C ATOM 980 C TYR A 83 -6.799 14.762 -2.820 1.00 0.00 C ATOM 981 O TYR A 83 -6.487 15.845 -3.312 1.00 0.00 O ATOM 982 CB TYR A 83 -5.022 13.663 -1.461 1.00 0.00 C ATOM 983 CG TYR A 83 -4.549 12.298 -0.958 1.00 0.00 C ATOM 984 CD1 TYR A 83 -4.308 11.277 -1.857 1.00 0.00 C ATOM 985 CD2 TYR A 83 -4.363 12.085 0.392 1.00 0.00 C ATOM 986 CE1 TYR A 83 -3.862 9.992 -1.385 1.00 0.00 C ATOM 987 CE2 TYR A 83 -3.918 10.799 0.864 1.00 0.00 C ATOM 988 CZ TYR A 83 -3.689 9.817 -0.048 1.00 0.00 C ATOM 989 OH TYR A 83 -3.268 8.603 0.398 1.00 0.00 O ATOM 0 H TYR A 83 -3.845 13.883 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.352 12.679 -2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.156 14.313 -1.586 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.656 14.119 -0.700 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.454 11.443 -2.914 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -4.551 12.883 1.095 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.669 9.186 -2.077 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.770 10.619 1.918 1.00 0.00 H new ATOM 0 HH TYR A 83 -3.738 7.894 -0.089 1.00 0.00 H new ATOM 999 N ASP A 84 -7.984 14.489 -2.294 1.00 0.00 N ATOM 1000 CA ASP A 84 -9.035 15.491 -2.262 1.00 0.00 C ATOM 1001 C ASP A 84 -8.651 16.599 -1.278 1.00 0.00 C ATOM 1002 O ASP A 84 -8.584 16.367 -0.072 1.00 0.00 O ATOM 1003 CB ASP A 84 -10.361 14.883 -1.796 1.00 0.00 C ATOM 1004 CG ASP A 84 -11.269 14.375 -2.916 1.00 0.00 C ATOM 1005 OD1 ASP A 84 -11.956 15.229 -3.520 1.00 0.00 O ATOM 1006 OD2 ASP A 84 -11.257 13.147 -3.145 1.00 0.00 O ATOM 0 H ASP A 84 -8.239 13.589 -1.887 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.153 15.887 -3.271 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -10.146 14.056 -1.120 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -10.904 15.632 -1.220 1.00 0.00 H new ATOM 1011 N SER A 85 -8.407 17.778 -1.831 1.00 0.00 N ATOM 1012 CA SER A 85 -8.029 18.922 -1.017 1.00 0.00 C ATOM 1013 C SER A 85 -9.136 19.232 -0.007 1.00 0.00 C ATOM 1014 O SER A 85 -8.864 19.740 1.080 1.00 0.00 O ATOM 1015 CB SER A 85 -7.747 20.147 -1.888 1.00 0.00 C ATOM 1016 OG SER A 85 -6.384 20.556 -1.806 1.00 0.00 O ATOM 0 H SER A 85 -8.463 17.966 -2.832 1.00 0.00 H new ATOM 0 HA SER A 85 -7.114 18.674 -0.479 1.00 0.00 H new ATOM 0 HB2 SER A 85 -7.996 19.920 -2.925 1.00 0.00 H new ATOM 0 HB3 SER A 85 -8.392 20.969 -1.578 1.00 0.00 H new ATOM 0 HG SER A 85 -6.243 21.340 -2.377 1.00 0.00 H new ATOM 1022 N ASP A 86 -10.360 18.914 -0.401 1.00 0.00 N ATOM 1023 CA ASP A 86 -11.508 19.153 0.456 1.00 0.00 C ATOM 1024 C ASP A 86 -11.767 17.911 1.312 1.00 0.00 C ATOM 1025 O ASP A 86 -12.862 17.737 1.846 1.00 0.00 O ATOM 1026 CB ASP A 86 -12.766 19.426 -0.370 1.00 0.00 C ATOM 1027 CG ASP A 86 -13.527 20.697 0.011 1.00 0.00 C ATOM 1028 OD1 ASP A 86 -13.929 20.786 1.192 1.00 0.00 O ATOM 1029 OD2 ASP A 86 -13.689 21.553 -0.886 1.00 0.00 O ATOM 0 H ASP A 86 -10.582 18.493 -1.303 1.00 0.00 H new ATOM 0 HA ASP A 86 -11.289 20.021 1.077 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.485 19.490 -1.421 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.439 18.574 -0.271 1.00 0.00 H new ATOM 1034 N ALA A 87 -10.740 17.080 1.418 1.00 0.00 N ATOM 1035 CA ALA A 87 -10.842 15.860 2.202 1.00 0.00 C ATOM 1036 C ALA A 87 -9.668 15.789 3.180 1.00 0.00 C ATOM 1037 O ALA A 87 -8.526 16.059 2.810 1.00 0.00 O ATOM 1038 CB ALA A 87 -10.893 14.654 1.263 1.00 0.00 C ATOM 0 H ALA A 87 -9.833 17.227 0.974 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.760 15.855 2.789 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -10.969 13.739 1.850 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -11.761 14.739 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -9.985 14.624 0.660 1.00 0.00 H new ATOM 1044 N ASP A 88 -9.989 15.422 4.414 1.00 0.00 N ATOM 1045 CA ASP A 88 -8.975 15.311 5.448 1.00 0.00 C ATOM 1046 C ASP A 88 -7.821 14.446 4.937 1.00 0.00 C ATOM 1047 O ASP A 88 -7.948 13.226 4.850 1.00 0.00 O ATOM 1048 CB ASP A 88 -9.543 14.647 6.706 1.00 0.00 C ATOM 1049 CG ASP A 88 -10.895 15.190 7.168 1.00 0.00 C ATOM 1050 OD1 ASP A 88 -11.086 16.419 7.045 1.00 0.00 O ATOM 1051 OD2 ASP A 88 -11.709 14.364 7.635 1.00 0.00 O ATOM 0 H ASP A 88 -10.936 15.198 4.719 1.00 0.00 H new ATOM 0 HA ASP A 88 -8.632 16.316 5.693 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -9.642 13.577 6.521 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.824 14.765 7.517 1.00 0.00 H new ATOM 1056 N LYS A 89 -6.724 15.113 4.610 1.00 0.00 N ATOM 1057 CA LYS A 89 -5.549 14.421 4.109 1.00 0.00 C ATOM 1058 C LYS A 89 -5.077 13.406 5.152 1.00 0.00 C ATOM 1059 O LYS A 89 -4.397 12.437 4.818 1.00 0.00 O ATOM 1060 CB LYS A 89 -4.471 15.425 3.696 1.00 0.00 C ATOM 1061 CG LYS A 89 -4.325 15.476 2.174 1.00 0.00 C ATOM 1062 CD LYS A 89 -3.913 16.874 1.709 1.00 0.00 C ATOM 1063 CE LYS A 89 -4.769 17.332 0.527 1.00 0.00 C ATOM 1064 NZ LYS A 89 -4.942 18.801 0.548 1.00 0.00 N ATOM 0 H LYS A 89 -6.624 16.126 4.682 1.00 0.00 H new ATOM 0 HA LYS A 89 -5.793 13.861 3.206 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -4.727 16.415 4.074 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -3.518 15.148 4.147 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -3.581 14.748 1.852 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -5.268 15.196 1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -4.016 17.580 2.533 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -2.862 16.871 1.422 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -4.299 17.029 -0.409 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -5.743 16.845 0.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -5.100 19.146 -0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.761 19.046 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -4.087 19.246 0.939 1.00 0.00 H new ATOM 1078 N LEU A 90 -5.456 13.663 6.395 1.00 0.00 N ATOM 1079 CA LEU A 90 -5.080 12.784 7.489 1.00 0.00 C ATOM 1080 C LEU A 90 -5.977 11.544 7.474 1.00 0.00 C ATOM 1081 O LEU A 90 -5.487 10.418 7.536 1.00 0.00 O ATOM 1082 CB LEU A 90 -5.103 13.542 8.819 1.00 0.00 C ATOM 1083 CG LEU A 90 -3.920 14.478 9.078 1.00 0.00 C ATOM 1084 CD1 LEU A 90 -4.091 15.799 8.325 1.00 0.00 C ATOM 1085 CD2 LEU A 90 -3.710 14.694 10.577 1.00 0.00 C ATOM 0 H LEU A 90 -6.020 14.468 6.669 1.00 0.00 H new ATOM 0 HA LEU A 90 -4.054 12.438 7.363 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -6.021 14.128 8.865 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.149 12.814 9.629 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.018 14.003 8.693 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -3.237 16.446 8.526 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -4.153 15.602 7.255 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.005 16.291 8.657 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -2.864 15.363 10.733 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.607 15.137 11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.510 13.737 11.058 1.00 0.00 H new ATOM 1097 N ALA A 91 -7.276 11.794 7.390 1.00 0.00 N ATOM 1098 CA ALA A 91 -8.246 10.712 7.365 1.00 0.00 C ATOM 1099 C ALA A 91 -7.894 9.744 6.234 1.00 0.00 C ATOM 1100 O ALA A 91 -7.743 8.544 6.463 1.00 0.00 O ATOM 1101 CB ALA A 91 -9.654 11.291 7.221 1.00 0.00 C ATOM 0 H ALA A 91 -7.679 12.730 7.338 1.00 0.00 H new ATOM 0 HA ALA A 91 -8.219 10.151 8.299 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -10.381 10.479 7.202 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -9.865 11.948 8.065 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -9.721 11.859 6.293 1.00 0.00 H new ATOM 1107 N VAL A 92 -7.773 10.300 5.038 1.00 0.00 N ATOM 1108 CA VAL A 92 -7.442 9.501 3.871 1.00 0.00 C ATOM 1109 C VAL A 92 -6.149 8.728 4.137 1.00 0.00 C ATOM 1110 O VAL A 92 -6.043 7.552 3.793 1.00 0.00 O ATOM 1111 CB VAL A 92 -7.360 10.395 2.631 1.00 0.00 C ATOM 1112 CG1 VAL A 92 -8.756 10.711 2.089 1.00 0.00 C ATOM 1113 CG2 VAL A 92 -6.584 11.678 2.931 1.00 0.00 C ATOM 0 H VAL A 92 -7.898 11.295 4.852 1.00 0.00 H new ATOM 0 HA VAL A 92 -8.224 8.768 3.676 1.00 0.00 H new ATOM 0 HB VAL A 92 -6.818 9.849 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -8.669 11.347 1.208 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -9.260 9.783 1.818 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -9.335 11.228 2.854 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.540 12.295 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.086 12.229 3.726 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.572 11.426 3.247 1.00 0.00 H new ATOM 1123 N VAL A 93 -5.199 9.420 4.747 1.00 0.00 N ATOM 1124 CA VAL A 93 -3.917 8.813 5.063 1.00 0.00 C ATOM 1125 C VAL A 93 -4.118 7.737 6.133 1.00 0.00 C ATOM 1126 O VAL A 93 -3.461 6.697 6.101 1.00 0.00 O ATOM 1127 CB VAL A 93 -2.915 9.892 5.481 1.00 0.00 C ATOM 1128 CG1 VAL A 93 -1.895 9.337 6.478 1.00 0.00 C ATOM 1129 CG2 VAL A 93 -2.218 10.494 4.259 1.00 0.00 C ATOM 0 H VAL A 93 -5.291 10.395 5.031 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.499 8.324 4.183 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.468 10.689 5.978 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -1.195 10.124 6.758 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.413 8.979 7.367 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -1.349 8.513 6.019 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -1.511 11.258 4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.684 9.710 3.722 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -2.962 10.943 3.601 1.00 0.00 H new ATOM 1139 N ARG A 94 -5.025 8.025 7.052 1.00 0.00 N ATOM 1140 CA ARG A 94 -5.321 7.095 8.129 1.00 0.00 C ATOM 1141 C ARG A 94 -5.979 5.830 7.573 1.00 0.00 C ATOM 1142 O ARG A 94 -5.689 4.724 8.027 1.00 0.00 O ATOM 1143 CB ARG A 94 -6.249 7.730 9.167 1.00 0.00 C ATOM 1144 CG ARG A 94 -5.466 8.640 10.116 1.00 0.00 C ATOM 1145 CD ARG A 94 -5.318 7.996 11.496 1.00 0.00 C ATOM 1146 NE ARG A 94 -4.532 8.879 12.386 1.00 0.00 N ATOM 1147 CZ ARG A 94 -4.479 8.749 13.718 1.00 0.00 C ATOM 1148 NH1 ARG A 94 -5.169 7.772 14.324 1.00 0.00 N ATOM 1149 NH2 ARG A 94 -3.739 9.596 14.445 1.00 0.00 N ATOM 0 H ARG A 94 -5.566 8.890 7.074 1.00 0.00 H new ATOM 0 HA ARG A 94 -4.378 6.837 8.611 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -7.025 8.306 8.663 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -6.751 6.949 9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -4.480 8.844 9.699 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -5.977 9.598 10.211 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.302 7.813 11.928 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -4.826 7.028 11.404 1.00 0.00 H new ATOM 0 HE ARG A 94 -3.997 9.634 11.958 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.734 7.128 13.771 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -5.129 7.673 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -3.216 10.340 13.984 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.699 9.497 15.459 1.00 0.00 H new ATOM 1163 N THR A 95 -6.852 6.037 6.599 1.00 0.00 N ATOM 1164 CA THR A 95 -7.554 4.927 5.975 1.00 0.00 C ATOM 1165 C THR A 95 -6.687 4.290 4.888 1.00 0.00 C ATOM 1166 O THR A 95 -6.806 3.098 4.612 1.00 0.00 O ATOM 1167 CB THR A 95 -8.896 5.447 5.455 1.00 0.00 C ATOM 1168 OG1 THR A 95 -9.716 5.514 6.619 1.00 0.00 O ATOM 1169 CG2 THR A 95 -9.607 4.436 4.554 1.00 0.00 C ATOM 0 H THR A 95 -7.090 6.956 6.226 1.00 0.00 H new ATOM 0 HA THR A 95 -7.754 4.132 6.694 1.00 0.00 H new ATOM 0 HB THR A 95 -8.737 6.374 4.904 1.00 0.00 H new ATOM 0 HG1 THR A 95 -10.606 5.844 6.374 1.00 0.00 H new ATOM 0 HG21 THR A 95 -10.554 4.855 4.213 1.00 0.00 H new ATOM 0 HG22 THR A 95 -8.978 4.211 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 95 -9.797 3.520 5.114 1.00 0.00 H new ATOM 1177 N TYR A 96 -5.831 5.114 4.300 1.00 0.00 N ATOM 1178 CA TYR A 96 -4.944 4.646 3.248 1.00 0.00 C ATOM 1179 C TYR A 96 -3.764 3.866 3.833 1.00 0.00 C ATOM 1180 O TYR A 96 -3.286 2.910 3.225 1.00 0.00 O ATOM 1181 CB TYR A 96 -4.415 5.902 2.554 1.00 0.00 C ATOM 1182 CG TYR A 96 -3.231 5.645 1.619 1.00 0.00 C ATOM 1183 CD1 TYR A 96 -3.455 5.297 0.303 1.00 0.00 C ATOM 1184 CD2 TYR A 96 -1.940 5.761 2.093 1.00 0.00 C ATOM 1185 CE1 TYR A 96 -2.340 5.054 -0.577 1.00 0.00 C ATOM 1186 CE2 TYR A 96 -0.826 5.518 1.214 1.00 0.00 C ATOM 1187 CZ TYR A 96 -1.081 5.178 -0.079 1.00 0.00 C ATOM 1188 OH TYR A 96 -0.029 4.948 -0.909 1.00 0.00 O ATOM 0 H TYR A 96 -5.733 6.102 4.532 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.474 3.982 2.565 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.224 6.357 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -4.115 6.625 3.313 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -4.465 5.207 -0.068 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -1.765 6.034 3.123 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -2.501 4.780 -1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.189 5.604 1.573 1.00 0.00 H new ATOM 0 HH TYR A 96 0.735 5.494 -0.628 1.00 0.00 H new ATOM 1198 N ASN A 97 -3.331 4.302 5.006 1.00 0.00 N ATOM 1199 CA ASN A 97 -2.217 3.657 5.679 1.00 0.00 C ATOM 1200 C ASN A 97 -2.627 2.241 6.091 1.00 0.00 C ATOM 1201 O ASN A 97 -1.868 1.292 5.902 1.00 0.00 O ATOM 1202 CB ASN A 97 -1.821 4.420 6.944 1.00 0.00 C ATOM 1203 CG ASN A 97 -0.599 5.306 6.691 1.00 0.00 C ATOM 1204 OD1 ASN A 97 0.255 5.008 5.873 1.00 0.00 O ATOM 1205 ND2 ASN A 97 -0.564 6.406 7.437 1.00 0.00 N ATOM 0 H ASN A 97 -3.732 5.094 5.508 1.00 0.00 H new ATOM 0 HA ASN A 97 -1.373 3.638 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -2.657 5.034 7.279 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -1.603 3.714 7.745 1.00 0.00 H new ATOM 0 HD21 ASN A 97 0.212 7.061 7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.313 6.594 8.103 1.00 0.00 H new ATOM 1212 N ASP A 98 -3.826 2.143 6.645 1.00 0.00 N ATOM 1213 CA ASP A 98 -4.347 0.860 7.085 1.00 0.00 C ATOM 1214 C ASP A 98 -4.342 -0.116 5.908 1.00 0.00 C ATOM 1215 O ASP A 98 -4.071 -1.304 6.081 1.00 0.00 O ATOM 1216 CB ASP A 98 -5.785 0.991 7.586 1.00 0.00 C ATOM 1217 CG ASP A 98 -6.278 -0.173 8.449 1.00 0.00 C ATOM 1218 OD1 ASP A 98 -6.732 -1.171 7.848 1.00 0.00 O ATOM 1219 OD2 ASP A 98 -6.191 -0.038 9.688 1.00 0.00 O ATOM 0 H ASP A 98 -4.453 2.933 6.800 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.716 0.500 7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -5.871 1.912 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -6.446 1.091 6.725 1.00 0.00 H new ATOM 1224 N PHE A 99 -4.649 0.419 4.735 1.00 0.00 N ATOM 1225 CA PHE A 99 -4.685 -0.391 3.529 1.00 0.00 C ATOM 1226 C PHE A 99 -3.279 -0.843 3.129 1.00 0.00 C ATOM 1227 O PHE A 99 -3.082 -1.987 2.723 1.00 0.00 O ATOM 1228 CB PHE A 99 -5.260 0.488 2.417 1.00 0.00 C ATOM 1229 CG PHE A 99 -5.153 -0.126 1.019 1.00 0.00 C ATOM 1230 CD1 PHE A 99 -4.008 0.016 0.301 1.00 0.00 C ATOM 1231 CD2 PHE A 99 -6.203 -0.814 0.496 1.00 0.00 C ATOM 1232 CE1 PHE A 99 -3.908 -0.554 -0.997 1.00 0.00 C ATOM 1233 CE2 PHE A 99 -6.103 -1.383 -0.800 1.00 0.00 C ATOM 1234 CZ PHE A 99 -4.958 -1.242 -1.519 1.00 0.00 C ATOM 0 H PHE A 99 -4.875 1.404 4.594 1.00 0.00 H new ATOM 0 HA PHE A 99 -5.290 -1.282 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.309 0.691 2.634 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -4.742 1.447 2.422 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -3.174 0.562 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.113 -0.927 1.067 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -2.999 -0.441 -1.568 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -6.937 -1.929 -1.216 1.00 0.00 H new ATOM 0 HZ PHE A 99 -4.882 -1.676 -2.505 1.00 0.00 H new ATOM 1244 N ILE A 100 -2.337 0.080 3.259 1.00 0.00 N ATOM 1245 CA ILE A 100 -0.954 -0.209 2.917 1.00 0.00 C ATOM 1246 C ILE A 100 -0.343 -1.105 3.996 1.00 0.00 C ATOM 1247 O ILE A 100 0.365 -2.063 3.686 1.00 0.00 O ATOM 1248 CB ILE A 100 -0.178 1.089 2.683 1.00 0.00 C ATOM 1249 CG1 ILE A 100 -0.785 1.890 1.529 1.00 0.00 C ATOM 1250 CG2 ILE A 100 1.310 0.805 2.464 1.00 0.00 C ATOM 1251 CD1 ILE A 100 -0.495 1.220 0.184 1.00 0.00 C ATOM 0 H ILE A 100 -2.504 1.028 3.596 1.00 0.00 H new ATOM 0 HA ILE A 100 -0.900 -0.759 1.978 1.00 0.00 H new ATOM 0 HB ILE A 100 -0.260 1.704 3.579 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.862 1.979 1.670 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -0.379 2.902 1.531 1.00 0.00 H new ATOM 0 HG21 ILE A 100 1.839 1.744 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 100 1.719 0.307 3.343 1.00 0.00 H new ATOM 0 HG23 ILE A 100 1.433 0.162 1.593 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -0.937 1.810 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 100 0.583 1.155 0.035 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -0.924 0.218 0.177 1.00 0.00 H new ATOM 1263 N GLU A 101 -0.640 -0.763 5.241 1.00 0.00 N ATOM 1264 CA GLU A 101 -0.128 -1.525 6.369 1.00 0.00 C ATOM 1265 C GLU A 101 -0.530 -2.996 6.241 1.00 0.00 C ATOM 1266 O GLU A 101 0.207 -3.883 6.667 1.00 0.00 O ATOM 1267 CB GLU A 101 -0.613 -0.936 7.694 1.00 0.00 C ATOM 1268 CG GLU A 101 0.539 -0.806 8.691 1.00 0.00 C ATOM 1269 CD GLU A 101 1.261 0.533 8.522 1.00 0.00 C ATOM 1270 OE1 GLU A 101 0.616 1.566 8.809 1.00 0.00 O ATOM 1271 OE2 GLU A 101 2.441 0.494 8.110 1.00 0.00 O ATOM 0 H GLU A 101 -1.228 0.031 5.494 1.00 0.00 H new ATOM 0 HA GLU A 101 0.960 -1.464 6.360 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -1.059 0.043 7.519 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -1.393 -1.571 8.115 1.00 0.00 H new ATOM 0 HG2 GLU A 101 0.156 -0.891 9.708 1.00 0.00 H new ATOM 0 HG3 GLU A 101 1.244 -1.624 8.546 1.00 0.00 H new ATOM 1278 N LYS A 102 -1.698 -3.208 5.654 1.00 0.00 N ATOM 1279 CA LYS A 102 -2.206 -4.556 5.465 1.00 0.00 C ATOM 1280 C LYS A 102 -1.625 -5.141 4.177 1.00 0.00 C ATOM 1281 O LYS A 102 -1.475 -6.355 4.055 1.00 0.00 O ATOM 1282 CB LYS A 102 -3.736 -4.562 5.507 1.00 0.00 C ATOM 1283 CG LYS A 102 -4.259 -5.770 6.286 1.00 0.00 C ATOM 1284 CD LYS A 102 -4.038 -5.590 7.790 1.00 0.00 C ATOM 1285 CE LYS A 102 -5.371 -5.543 8.538 1.00 0.00 C ATOM 1286 NZ LYS A 102 -5.186 -5.944 9.952 1.00 0.00 N ATOM 0 H LYS A 102 -2.307 -2.469 5.303 1.00 0.00 H new ATOM 0 HA LYS A 102 -1.884 -5.202 6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -4.094 -3.643 5.971 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -4.131 -4.581 4.491 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -5.322 -5.905 6.084 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -3.753 -6.673 5.946 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -3.431 -6.410 8.173 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -3.482 -4.670 7.972 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -5.786 -4.536 8.491 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -6.089 -6.207 8.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -6.100 -5.907 10.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -4.810 -6.913 9.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -4.517 -5.294 10.412 1.00 0.00 H new ATOM 1300 N LEU A 103 -1.311 -4.250 3.248 1.00 0.00 N ATOM 1301 CA LEU A 103 -0.749 -4.661 1.974 1.00 0.00 C ATOM 1302 C LEU A 103 0.762 -4.847 2.125 1.00 0.00 C ATOM 1303 O LEU A 103 1.400 -5.484 1.289 1.00 0.00 O ATOM 1304 CB LEU A 103 -1.141 -3.677 0.872 1.00 0.00 C ATOM 1305 CG LEU A 103 -2.195 -4.168 -0.124 1.00 0.00 C ATOM 1306 CD1 LEU A 103 -3.551 -4.350 0.559 1.00 0.00 C ATOM 1307 CD2 LEU A 103 -2.282 -3.237 -1.335 1.00 0.00 C ATOM 0 H LEU A 103 -1.436 -3.243 3.353 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.160 -5.623 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -1.511 -2.765 1.341 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.243 -3.408 0.316 1.00 0.00 H new ATOM 0 HG LEU A 103 -1.887 -5.146 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.282 -4.699 -0.170 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -3.459 -5.083 1.360 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -3.880 -3.397 0.975 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.038 -3.609 -2.026 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -2.554 -2.235 -1.005 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -1.316 -3.203 -1.838 1.00 0.00 H new ATOM 1319 N THR A 104 1.292 -4.276 3.197 1.00 0.00 N ATOM 1320 CA THR A 104 2.716 -4.370 3.468 1.00 0.00 C ATOM 1321 C THR A 104 2.971 -5.270 4.680 1.00 0.00 C ATOM 1322 O THR A 104 3.907 -6.068 4.679 1.00 0.00 O ATOM 1323 CB THR A 104 3.259 -2.950 3.640 1.00 0.00 C ATOM 1324 OG1 THR A 104 2.497 -2.416 4.717 1.00 0.00 O ATOM 1325 CG2 THR A 104 2.917 -2.045 2.455 1.00 0.00 C ATOM 0 H THR A 104 0.760 -3.747 3.888 1.00 0.00 H new ATOM 0 HA THR A 104 3.246 -4.838 2.639 1.00 0.00 H new ATOM 0 HB THR A 104 4.341 -2.988 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 104 1.606 -2.167 4.395 1.00 0.00 H new ATOM 0 HG21 THR A 104 3.325 -1.049 2.628 1.00 0.00 H new ATOM 0 HG22 THR A 104 3.347 -2.461 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 104 1.834 -1.979 2.348 1.00 0.00 H new ATOM 1333 N GLY A 105 2.122 -5.109 5.683 1.00 0.00 N ATOM 1334 CA GLY A 105 2.243 -5.896 6.899 1.00 0.00 C ATOM 1335 C GLY A 105 3.190 -5.226 7.895 1.00 0.00 C ATOM 1336 O GLY A 105 3.174 -5.543 9.083 1.00 0.00 O ATOM 0 H GLY A 105 1.347 -4.445 5.679 1.00 0.00 H new ATOM 0 HA2 GLY A 105 1.261 -6.021 7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 105 2.611 -6.893 6.656 1.00 0.00 H new ATOM 1340 N TYR A 106 3.994 -4.310 7.374 1.00 0.00 N ATOM 1341 CA TYR A 106 4.947 -3.591 8.202 1.00 0.00 C ATOM 1342 C TYR A 106 4.315 -2.330 8.796 1.00 0.00 C ATOM 1343 O TYR A 106 3.773 -1.500 8.067 1.00 0.00 O ATOM 1344 CB TYR A 106 6.091 -3.184 7.272 1.00 0.00 C ATOM 1345 CG TYR A 106 7.289 -4.134 7.307 1.00 0.00 C ATOM 1346 CD1 TYR A 106 7.250 -5.322 6.607 1.00 0.00 C ATOM 1347 CD2 TYR A 106 8.411 -3.804 8.040 1.00 0.00 C ATOM 1348 CE1 TYR A 106 8.377 -6.217 6.641 1.00 0.00 C ATOM 1349 CE2 TYR A 106 9.540 -4.697 8.073 1.00 0.00 C ATOM 1350 CZ TYR A 106 9.467 -5.860 7.372 1.00 0.00 C ATOM 1351 OH TYR A 106 10.532 -6.705 7.403 1.00 0.00 O ATOM 0 H TYR A 106 4.005 -4.049 6.388 1.00 0.00 H new ATOM 0 HA TYR A 106 5.283 -4.215 9.030 1.00 0.00 H new ATOM 0 HB2 TYR A 106 5.714 -3.129 6.251 1.00 0.00 H new ATOM 0 HB3 TYR A 106 6.426 -2.183 7.542 1.00 0.00 H new ATOM 0 HD1 TYR A 106 6.373 -5.581 6.033 1.00 0.00 H new ATOM 0 HD2 TYR A 106 8.442 -2.875 8.590 1.00 0.00 H new ATOM 0 HE1 TYR A 106 8.357 -7.151 6.098 1.00 0.00 H new ATOM 0 HE2 TYR A 106 10.424 -4.449 8.641 1.00 0.00 H new ATOM 0 HH TYR A 106 11.238 -6.321 7.963 1.00 0.00 H new ATOM 1361 N SER A 107 4.405 -2.226 10.113 1.00 0.00 N ATOM 1362 CA SER A 107 3.851 -1.081 10.814 1.00 0.00 C ATOM 1363 C SER A 107 4.838 0.085 10.775 1.00 0.00 C ATOM 1364 O SER A 107 6.025 -0.109 10.516 1.00 0.00 O ATOM 1365 CB SER A 107 3.503 -1.436 12.262 1.00 0.00 C ATOM 1366 OG SER A 107 2.099 -1.579 12.455 1.00 0.00 O ATOM 0 H SER A 107 4.854 -2.917 10.714 1.00 0.00 H new ATOM 0 HA SER A 107 2.931 -0.785 10.311 1.00 0.00 H new ATOM 0 HB2 SER A 107 4.003 -2.365 12.538 1.00 0.00 H new ATOM 0 HB3 SER A 107 3.883 -0.660 12.927 1.00 0.00 H new ATOM 0 HG SER A 107 1.919 -1.807 13.391 1.00 0.00 H new ATOM 1372 N ALA A 108 4.313 1.274 11.037 1.00 0.00 N ATOM 1373 CA ALA A 108 5.134 2.473 11.036 1.00 0.00 C ATOM 1374 C ALA A 108 6.148 2.392 12.180 1.00 0.00 C ATOM 1375 O ALA A 108 7.180 3.062 12.147 1.00 0.00 O ATOM 1376 CB ALA A 108 4.236 3.706 11.138 1.00 0.00 C ATOM 0 H ALA A 108 3.328 1.432 11.251 1.00 0.00 H new ATOM 0 HA ALA A 108 5.694 2.555 10.105 1.00 0.00 H new ATOM 0 HB1 ALA A 108 4.852 4.606 11.137 1.00 0.00 H new ATOM 0 HB2 ALA A 108 3.555 3.732 10.287 1.00 0.00 H new ATOM 0 HB3 ALA A 108 3.660 3.661 12.062 1.00 0.00 H new ATOM 1382 N LYS A 109 5.819 1.567 13.162 1.00 0.00 N ATOM 1383 CA LYS A 109 6.688 1.391 14.313 1.00 0.00 C ATOM 1384 C LYS A 109 7.909 0.566 13.904 1.00 0.00 C ATOM 1385 O LYS A 109 9.041 0.917 14.235 1.00 0.00 O ATOM 1386 CB LYS A 109 5.909 0.795 15.487 1.00 0.00 C ATOM 1387 CG LYS A 109 6.579 1.132 16.820 1.00 0.00 C ATOM 1388 CD LYS A 109 6.223 0.099 17.890 1.00 0.00 C ATOM 1389 CE LYS A 109 6.111 0.754 19.268 1.00 0.00 C ATOM 1390 NZ LYS A 109 7.393 0.646 19.999 1.00 0.00 N ATOM 0 H LYS A 109 4.963 1.013 13.185 1.00 0.00 H new ATOM 0 HA LYS A 109 7.057 2.356 14.662 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.889 1.178 15.482 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.844 -0.287 15.372 1.00 0.00 H new ATOM 0 HG2 LYS A 109 7.661 1.167 16.689 1.00 0.00 H new ATOM 0 HG3 LYS A 109 6.266 2.123 17.148 1.00 0.00 H new ATOM 0 HD2 LYS A 109 5.280 -0.384 17.635 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.984 -0.681 17.915 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.836 1.803 19.157 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.317 0.275 19.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.299 1.096 20.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 7.640 -0.357 20.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 8.142 1.123 19.458 1.00 0.00 H new ATOM 1404 N GLU A 110 7.639 -0.517 13.190 1.00 0.00 N ATOM 1405 CA GLU A 110 8.702 -1.396 12.731 1.00 0.00 C ATOM 1406 C GLU A 110 9.402 -0.791 11.513 1.00 0.00 C ATOM 1407 O GLU A 110 10.603 -0.975 11.327 1.00 0.00 O ATOM 1408 CB GLU A 110 8.161 -2.792 12.417 1.00 0.00 C ATOM 1409 CG GLU A 110 7.236 -2.761 11.199 1.00 0.00 C ATOM 1410 CD GLU A 110 6.737 -4.165 10.853 1.00 0.00 C ATOM 1411 OE1 GLU A 110 7.475 -4.868 10.129 1.00 0.00 O ATOM 1412 OE2 GLU A 110 5.628 -4.504 11.319 1.00 0.00 O ATOM 0 H GLU A 110 6.699 -0.806 12.918 1.00 0.00 H new ATOM 0 HA GLU A 110 9.434 -1.498 13.532 1.00 0.00 H new ATOM 0 HB2 GLU A 110 8.991 -3.474 12.231 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.619 -3.178 13.280 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.386 -2.109 11.400 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.767 -2.339 10.345 1.00 0.00 H new ATOM 1419 N ARG A 111 8.619 -0.082 10.712 1.00 0.00 N ATOM 1420 CA ARG A 111 9.149 0.551 9.516 1.00 0.00 C ATOM 1421 C ARG A 111 10.402 1.359 9.854 1.00 0.00 C ATOM 1422 O ARG A 111 11.344 1.409 9.064 1.00 0.00 O ATOM 1423 CB ARG A 111 8.111 1.475 8.877 1.00 0.00 C ATOM 1424 CG ARG A 111 8.758 2.775 8.393 1.00 0.00 C ATOM 1425 CD ARG A 111 7.740 3.658 7.670 1.00 0.00 C ATOM 1426 NE ARG A 111 7.571 4.936 8.398 1.00 0.00 N ATOM 1427 CZ ARG A 111 8.533 5.862 8.523 1.00 0.00 C ATOM 1428 NH1 ARG A 111 9.736 5.656 7.971 1.00 0.00 N ATOM 1429 NH2 ARG A 111 8.290 6.992 9.200 1.00 0.00 N ATOM 0 H ARG A 111 7.622 0.068 10.868 1.00 0.00 H new ATOM 0 HA ARG A 111 9.402 -0.238 8.807 1.00 0.00 H new ATOM 0 HB2 ARG A 111 7.634 0.968 8.038 1.00 0.00 H new ATOM 0 HB3 ARG A 111 7.327 1.702 9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 111 9.175 3.316 9.242 1.00 0.00 H new ATOM 0 HG3 ARG A 111 9.586 2.546 7.723 1.00 0.00 H new ATOM 0 HD2 ARG A 111 8.074 3.852 6.651 1.00 0.00 H new ATOM 0 HD3 ARG A 111 6.783 3.141 7.599 1.00 0.00 H new ATOM 0 HE ARG A 111 6.667 5.124 8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 111 9.920 4.795 7.456 1.00 0.00 H new ATOM 0 HH12 ARG A 111 10.468 6.360 8.066 1.00 0.00 H new ATOM 0 HH21 ARG A 111 7.374 7.148 9.620 1.00 0.00 H new ATOM 0 HH22 ARG A 111 9.021 7.697 9.295 1.00 0.00 H new ATOM 1443 N LYS A 112 10.374 1.971 11.029 1.00 0.00 N ATOM 1444 CA LYS A 112 11.497 2.774 11.481 1.00 0.00 C ATOM 1445 C LYS A 112 12.725 1.878 11.652 1.00 0.00 C ATOM 1446 O LYS A 112 13.858 2.350 11.577 1.00 0.00 O ATOM 1447 CB LYS A 112 11.124 3.554 12.744 1.00 0.00 C ATOM 1448 CG LYS A 112 11.587 5.009 12.647 1.00 0.00 C ATOM 1449 CD LYS A 112 12.839 5.244 13.493 1.00 0.00 C ATOM 1450 CE LYS A 112 12.789 6.612 14.178 1.00 0.00 C ATOM 1451 NZ LYS A 112 12.953 6.466 15.642 1.00 0.00 N ATOM 0 H LYS A 112 9.591 1.927 11.681 1.00 0.00 H new ATOM 0 HA LYS A 112 11.753 3.525 10.734 1.00 0.00 H new ATOM 0 HB2 LYS A 112 10.044 3.521 12.890 1.00 0.00 H new ATOM 0 HB3 LYS A 112 11.578 3.081 13.615 1.00 0.00 H new ATOM 0 HG2 LYS A 112 11.795 5.260 11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 112 10.788 5.671 12.981 1.00 0.00 H new ATOM 0 HD2 LYS A 112 12.927 4.460 14.245 1.00 0.00 H new ATOM 0 HD3 LYS A 112 13.726 5.181 12.862 1.00 0.00 H new ATOM 0 HE2 LYS A 112 13.576 7.253 13.780 1.00 0.00 H new ATOM 0 HE3 LYS A 112 11.839 7.100 13.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 12.917 7.404 16.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 12.188 5.872 16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 13.870 6.020 15.846 1.00 0.00 H new ATOM 1465 N LYS A 113 12.457 0.600 11.878 1.00 0.00 N ATOM 1466 CA LYS A 113 13.526 -0.367 12.061 1.00 0.00 C ATOM 1467 C LYS A 113 14.489 -0.285 10.875 1.00 0.00 C ATOM 1468 O LYS A 113 15.707 -0.288 11.059 1.00 0.00 O ATOM 1469 CB LYS A 113 12.949 -1.766 12.289 1.00 0.00 C ATOM 1470 CG LYS A 113 11.968 -1.770 13.463 1.00 0.00 C ATOM 1471 CD LYS A 113 12.652 -2.247 14.746 1.00 0.00 C ATOM 1472 CE LYS A 113 12.664 -3.775 14.823 1.00 0.00 C ATOM 1473 NZ LYS A 113 14.000 -4.262 15.234 1.00 0.00 N ATOM 0 H LYS A 113 11.516 0.212 11.938 1.00 0.00 H new ATOM 0 HA LYS A 113 14.102 -0.135 12.957 1.00 0.00 H new ATOM 0 HB2 LYS A 113 12.442 -2.106 11.386 1.00 0.00 H new ATOM 0 HB3 LYS A 113 13.758 -2.470 12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 113 11.568 -0.767 13.611 1.00 0.00 H new ATOM 0 HG3 LYS A 113 11.123 -2.419 13.234 1.00 0.00 H new ATOM 0 HD2 LYS A 113 13.674 -1.869 14.780 1.00 0.00 H new ATOM 0 HD3 LYS A 113 12.132 -1.839 15.613 1.00 0.00 H new ATOM 0 HE2 LYS A 113 11.912 -4.115 15.534 1.00 0.00 H new ATOM 0 HE3 LYS A 113 12.399 -4.196 13.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 13.991 -5.301 15.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 14.711 -3.953 14.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 14.238 -3.875 16.169 1.00 0.00 H new ATOM 1487 N MET A 114 13.911 -0.215 9.686 1.00 0.00 N ATOM 1488 CA MET A 114 14.703 -0.131 8.471 1.00 0.00 C ATOM 1489 C MET A 114 15.490 1.179 8.417 1.00 0.00 C ATOM 1490 O MET A 114 16.390 1.333 7.594 1.00 0.00 O ATOM 1491 CB MET A 114 13.781 -0.224 7.253 1.00 0.00 C ATOM 1492 CG MET A 114 13.000 1.078 7.057 1.00 0.00 C ATOM 1493 SD MET A 114 13.512 1.875 5.544 1.00 0.00 S ATOM 1494 CE MET A 114 13.043 3.559 5.906 1.00 0.00 C ATOM 0 H MET A 114 12.902 -0.215 9.538 1.00 0.00 H new ATOM 0 HA MET A 114 15.413 -0.958 8.465 1.00 0.00 H new ATOM 0 HB2 MET A 114 14.371 -0.437 6.361 1.00 0.00 H new ATOM 0 HB3 MET A 114 13.086 -1.054 7.381 1.00 0.00 H new ATOM 0 HG2 MET A 114 11.931 0.869 7.024 1.00 0.00 H new ATOM 0 HG3 MET A 114 13.168 1.744 7.903 1.00 0.00 H new ATOM 0 HE1 MET A 114 13.294 4.197 5.059 1.00 0.00 H new ATOM 0 HE2 MET A 114 11.970 3.606 6.090 1.00 0.00 H new ATOM 0 HE3 MET A 114 13.578 3.904 6.791 1.00 0.00 H new ATOM 1504 N MET A 115 15.123 2.089 9.308 1.00 0.00 N ATOM 1505 CA MET A 115 15.784 3.382 9.373 1.00 0.00 C ATOM 1506 C MET A 115 16.833 3.406 10.486 1.00 0.00 C ATOM 1507 O MET A 115 17.835 4.111 10.384 1.00 0.00 O ATOM 1508 CB MET A 115 14.744 4.475 9.627 1.00 0.00 C ATOM 1509 CG MET A 115 14.947 5.657 8.678 1.00 0.00 C ATOM 1510 SD MET A 115 15.836 6.963 9.508 1.00 0.00 S ATOM 1511 CE MET A 115 14.469 7.881 10.196 1.00 0.00 C ATOM 0 H MET A 115 14.377 1.957 9.991 1.00 0.00 H new ATOM 0 HA MET A 115 16.286 3.561 8.422 1.00 0.00 H new ATOM 0 HB2 MET A 115 13.742 4.066 9.495 1.00 0.00 H new ATOM 0 HB3 MET A 115 14.815 4.817 10.660 1.00 0.00 H new ATOM 0 HG2 MET A 115 15.499 5.334 7.795 1.00 0.00 H new ATOM 0 HG3 MET A 115 13.981 6.026 8.332 1.00 0.00 H new ATOM 0 HE1 MET A 115 14.849 8.738 10.751 1.00 0.00 H new ATOM 0 HE2 MET A 115 13.822 8.229 9.391 1.00 0.00 H new ATOM 0 HE3 MET A 115 13.900 7.238 10.867 1.00 0.00 H new ATOM 1521 N THR A 116 16.567 2.625 11.524 1.00 0.00 N ATOM 1522 CA THR A 116 17.476 2.547 12.654 1.00 0.00 C ATOM 1523 C THR A 116 17.359 1.185 13.339 1.00 0.00 C ATOM 1524 O THR A 116 16.491 0.985 14.188 1.00 0.00 O ATOM 1525 CB THR A 116 17.175 3.724 13.585 1.00 0.00 C ATOM 1526 OG1 THR A 116 15.766 3.652 13.790 1.00 0.00 O ATOM 1527 CG2 THR A 116 17.382 5.077 12.903 1.00 0.00 C ATOM 0 H THR A 116 15.735 2.041 11.605 1.00 0.00 H new ATOM 0 HA THR A 116 18.515 2.626 12.333 1.00 0.00 H new ATOM 0 HB THR A 116 17.811 3.661 14.468 1.00 0.00 H new ATOM 0 HG1 THR A 116 15.518 2.738 14.042 1.00 0.00 H new ATOM 0 HG21 THR A 116 17.155 5.878 13.607 1.00 0.00 H new ATOM 0 HG22 THR A 116 18.418 5.165 12.575 1.00 0.00 H new ATOM 0 HG23 THR A 116 16.721 5.154 12.040 1.00 0.00 H new ATOM 1535 N LYS A 117 18.246 0.282 12.947 1.00 0.00 N ATOM 1536 CA LYS A 117 18.252 -1.057 13.513 1.00 0.00 C ATOM 1537 C LYS A 117 18.170 -0.961 15.037 1.00 0.00 C ATOM 1538 O LYS A 117 17.367 -1.652 15.664 1.00 0.00 O ATOM 1539 CB LYS A 117 19.465 -1.843 13.012 1.00 0.00 C ATOM 1540 CG LYS A 117 19.094 -3.301 12.732 1.00 0.00 C ATOM 1541 CD LYS A 117 19.651 -3.759 11.383 1.00 0.00 C ATOM 1542 CE LYS A 117 18.553 -3.778 10.315 1.00 0.00 C ATOM 1543 NZ LYS A 117 19.045 -4.430 9.081 1.00 0.00 N ATOM 0 H LYS A 117 18.966 0.451 12.244 1.00 0.00 H new ATOM 0 HA LYS A 117 17.377 -1.616 13.180 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.852 -1.381 12.104 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.262 -1.803 13.755 1.00 0.00 H new ATOM 0 HG2 LYS A 117 19.484 -3.938 13.526 1.00 0.00 H new ATOM 0 HG3 LYS A 117 18.010 -3.412 12.738 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.455 -3.092 11.072 1.00 0.00 H new ATOM 0 HD3 LYS A 117 20.084 -4.754 11.483 1.00 0.00 H new ATOM 0 HE2 LYS A 117 17.680 -4.310 10.692 1.00 0.00 H new ATOM 0 HE3 LYS A 117 18.235 -2.759 10.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 18.290 -4.435 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 19.865 -3.905 8.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 19.327 -5.408 9.294 1.00 0.00 H new ATOM 1557 N ASP A 118 19.009 -0.097 15.591 1.00 0.00 N ATOM 1558 CA ASP A 118 19.039 0.098 17.030 1.00 0.00 C ATOM 1559 C ASP A 118 17.916 1.055 17.436 1.00 0.00 C ATOM 1560 O ASP A 118 17.754 1.364 18.615 1.00 0.00 O ATOM 1561 CB ASP A 118 20.368 0.713 17.475 1.00 0.00 C ATOM 1562 CG ASP A 118 20.924 0.169 18.791 1.00 0.00 C ATOM 1563 OD1 ASP A 118 21.051 -1.071 18.885 1.00 0.00 O ATOM 1564 OD2 ASP A 118 21.210 1.005 19.676 1.00 0.00 O ATOM 1565 OXT ASP A 118 17.069 1.580 16.452 1.00 0.00 O ATOM 0 H ASP A 118 19.673 0.475 15.069 1.00 0.00 H new ATOM 0 HA ASP A 118 18.915 -0.876 17.504 1.00 0.00 H new ATOM 0 HB2 ASP A 118 21.107 0.550 16.691 1.00 0.00 H new ATOM 0 HB3 ASP A 118 20.238 1.791 17.571 1.00 0.00 H new TER 1570 ASP A 118