USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 854 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 70 ASN : amide:sc= 1.73 K(o=1.4,f=-9.3!) USER MOD Set 1.2: A 73 THR OG1 : rot 180:sc= -0.288 USER MOD Set 2.1: A 16 ASN : amide:sc= -0.369 K(o=-0.38,f=-2.8!) USER MOD Set 2.2: A 66 TYR OH : rot 130:sc= -0.0118 USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.00846 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 4 MET CE :methyl -163:sc= -0.0967 (180deg=-0.52) USER MOD Single : A 7 SER OG : rot 180:sc= -0.342 USER MOD Single : A 8 MET CE :methyl 164:sc= -0.642 (180deg=-1.07) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -1.3 K(o=-1.3,f=-0.0023) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 THR OG1 : rot -8:sc= 1.48 USER MOD Single : A 23 SER OG : rot -46:sc= 0.11 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0297 USER MOD Single : A 27 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.055) USER MOD Single : A 28 GLN : amide:sc= -2.01 K(o=-2,f=-0.092) USER MOD Single : A 30 GLN : amide:sc= -0.397 K(o=-0.4,f=-1.9!) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.37) USER MOD Single : A 34 SER OG : rot -140:sc= 1.2 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 HIS : no HD1:sc= -1.97 K(o=-2,f=-0.58) USER MOD Single : A 43 THR OG1 : rot 75:sc= 0.525 USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.22 (180deg=1.05) USER MOD Single : A 48 HIS : no HD1:sc= -5.71! K(o=-5.7!,f=-4) USER MOD Single : A 50 LYS NZ :NH3+ 169:sc= 1.23 (180deg=1.17) USER MOD Single : A 54 THR OG1 : rot 81:sc= 1.19 USER MOD Single : A 55 HIS : no HD1:sc= -0.211 X(o=-0.21,f=-0.14) USER MOD Single : A 57 LYS NZ :NH3+ -136:sc= -1.53 (180deg=-4.1!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 104:sc= 0.0102 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= 0.418 K(o=0.42,f=-5.3!) USER MOD Single : A 76 TYR OH : rot 180:sc=-0.00295 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -170:sc= -1.47! USER MOD Single : A 92 LYS NZ :NH3+ 166:sc= -0.026 (180deg=-0.207) USER MOD Single : A 93 SER OG : rot -150:sc= -0.0813 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 159:sc= -0.0906 (180deg=-0.489) USER MOD Single : A 100 LYS NZ :NH3+ -167:sc= 0.116 (180deg=0.0709) USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=-0.038) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -22.154 -14.882 0.749 1.00 0.00 N ATOM 2 CA GLY A 1 -20.959 -14.058 0.876 1.00 0.00 C ATOM 3 C GLY A 1 -20.797 -13.141 -0.313 1.00 0.00 C ATOM 4 O GLY A 1 -21.020 -13.563 -1.456 1.00 0.00 O ATOM 0 H1 GLY A 1 -21.919 -15.871 0.970 1.00 0.00 H new ATOM 0 H2 GLY A 1 -22.881 -14.543 1.410 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.516 -14.821 -0.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -21.018 -13.466 1.789 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -20.081 -14.698 0.967 1.00 0.00 H new ATOM 10 N ALA A 2 -20.443 -11.891 -0.032 1.00 0.00 N ATOM 11 CA ALA A 2 -20.177 -10.843 -1.016 1.00 0.00 C ATOM 12 C ALA A 2 -21.392 -10.445 -1.836 1.00 0.00 C ATOM 13 O ALA A 2 -21.616 -10.938 -2.947 1.00 0.00 O ATOM 14 CB ALA A 2 -18.970 -11.153 -1.893 1.00 0.00 C ATOM 0 H ALA A 2 -20.328 -11.565 0.928 1.00 0.00 H new ATOM 0 HA ALA A 2 -19.923 -9.963 -0.425 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -18.819 -10.341 -2.605 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -18.083 -11.257 -1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -19.143 -12.083 -2.435 1.00 0.00 H new ATOM 20 N HIS A 3 -22.196 -9.597 -1.254 1.00 0.00 N ATOM 21 CA HIS A 3 -23.355 -8.996 -1.892 1.00 0.00 C ATOM 22 C HIS A 3 -23.436 -7.562 -1.425 1.00 0.00 C ATOM 23 O HIS A 3 -22.722 -7.191 -0.474 1.00 0.00 O ATOM 24 CB HIS A 3 -24.671 -9.752 -1.577 1.00 0.00 C ATOM 25 CG HIS A 3 -24.775 -11.096 -2.222 1.00 0.00 C ATOM 26 ND1 HIS A 3 -24.730 -12.280 -1.527 1.00 0.00 N ATOM 27 CD2 HIS A 3 -24.918 -11.434 -3.521 1.00 0.00 C ATOM 28 CE1 HIS A 3 -24.833 -13.285 -2.372 1.00 0.00 C ATOM 29 NE2 HIS A 3 -24.950 -12.798 -3.585 1.00 0.00 N ATOM 0 H HIS A 3 -22.065 -9.290 -0.290 1.00 0.00 H new ATOM 0 HA HIS A 3 -23.236 -9.051 -2.974 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -24.758 -9.872 -0.497 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -25.514 -9.141 -1.899 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -24.993 -10.752 -4.355 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -24.823 -14.333 -2.111 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -25.049 -13.349 -4.438 1.00 0.00 H new ATOM 38 N MET A 4 -24.258 -6.742 -2.102 1.00 0.00 N ATOM 39 CA MET A 4 -24.415 -5.301 -1.778 1.00 0.00 C ATOM 40 C MET A 4 -23.074 -4.583 -1.936 1.00 0.00 C ATOM 41 O MET A 4 -22.787 -3.560 -1.292 1.00 0.00 O ATOM 42 CB MET A 4 -24.980 -5.119 -0.358 1.00 0.00 C ATOM 43 CG MET A 4 -26.389 -5.669 -0.173 1.00 0.00 C ATOM 44 SD MET A 4 -27.616 -4.842 -1.216 1.00 0.00 S ATOM 45 CE MET A 4 -27.554 -3.175 -0.558 1.00 0.00 C ATOM 0 H MET A 4 -24.832 -7.051 -2.886 1.00 0.00 H new ATOM 0 HA MET A 4 -25.128 -4.858 -2.474 1.00 0.00 H new ATOM 0 HB2 MET A 4 -24.314 -5.610 0.352 1.00 0.00 H new ATOM 0 HB3 MET A 4 -24.981 -4.057 -0.112 1.00 0.00 H new ATOM 0 HG2 MET A 4 -26.389 -6.735 -0.398 1.00 0.00 H new ATOM 0 HG3 MET A 4 -26.679 -5.564 0.872 1.00 0.00 H new ATOM 0 HE1 MET A 4 -28.442 -2.626 -0.873 1.00 0.00 H new ATOM 0 HE2 MET A 4 -27.519 -3.215 0.531 1.00 0.00 H new ATOM 0 HE3 MET A 4 -26.663 -2.669 -0.931 1.00 0.00 H new ATOM 55 N GLY A 5 -22.288 -5.108 -2.832 1.00 0.00 N ATOM 56 CA GLY A 5 -20.974 -4.630 -3.057 1.00 0.00 C ATOM 57 C GLY A 5 -20.011 -5.754 -2.854 1.00 0.00 C ATOM 58 O GLY A 5 -19.465 -5.923 -1.761 1.00 0.00 O ATOM 0 H GLY A 5 -22.555 -5.890 -3.430 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -20.884 -4.234 -4.069 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -20.748 -3.811 -2.374 1.00 0.00 H new ATOM 62 N GLY A 6 -19.849 -6.553 -3.890 1.00 0.00 N ATOM 63 CA GLY A 6 -18.998 -7.705 -3.825 1.00 0.00 C ATOM 64 C GLY A 6 -17.562 -7.315 -3.933 1.00 0.00 C ATOM 65 O GLY A 6 -16.684 -7.964 -3.366 1.00 0.00 O ATOM 0 H GLY A 6 -20.305 -6.416 -4.792 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -19.166 -8.233 -2.886 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -19.253 -8.396 -4.629 1.00 0.00 H new ATOM 69 N SER A 7 -17.307 -6.285 -4.693 1.00 0.00 N ATOM 70 CA SER A 7 -16.006 -5.755 -4.810 1.00 0.00 C ATOM 71 C SER A 7 -15.789 -4.762 -3.681 1.00 0.00 C ATOM 72 O SER A 7 -16.658 -3.934 -3.377 1.00 0.00 O ATOM 73 CB SER A 7 -15.826 -5.155 -6.190 1.00 0.00 C ATOM 74 OG SER A 7 -16.123 -6.125 -7.200 1.00 0.00 O ATOM 0 H SER A 7 -18.012 -5.797 -5.246 1.00 0.00 H new ATOM 0 HA SER A 7 -15.245 -6.530 -4.713 1.00 0.00 H new ATOM 0 HB2 SER A 7 -16.479 -4.290 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 7 -14.802 -4.800 -6.308 1.00 0.00 H new ATOM 0 HG SER A 7 -16.004 -5.722 -8.085 1.00 0.00 H new ATOM 80 N MET A 8 -14.662 -4.873 -3.063 1.00 0.00 N ATOM 81 CA MET A 8 -14.383 -4.148 -1.860 1.00 0.00 C ATOM 82 C MET A 8 -13.382 -3.101 -2.060 1.00 0.00 C ATOM 83 O MET A 8 -12.432 -3.306 -2.780 1.00 0.00 O ATOM 84 CB MET A 8 -13.843 -5.047 -0.795 1.00 0.00 C ATOM 85 CG MET A 8 -14.482 -6.365 -0.636 1.00 0.00 C ATOM 86 SD MET A 8 -16.198 -6.371 -0.206 1.00 0.00 S ATOM 87 CE MET A 8 -16.314 -8.123 0.144 1.00 0.00 C ATOM 0 H MET A 8 -13.899 -5.473 -3.377 1.00 0.00 H new ATOM 0 HA MET A 8 -15.336 -3.709 -1.564 1.00 0.00 H new ATOM 0 HB2 MET A 8 -12.783 -5.208 -0.994 1.00 0.00 H new ATOM 0 HB3 MET A 8 -13.912 -4.521 0.157 1.00 0.00 H new ATOM 0 HG2 MET A 8 -14.363 -6.915 -1.570 1.00 0.00 H new ATOM 0 HG3 MET A 8 -13.938 -6.917 0.130 1.00 0.00 H new ATOM 0 HE1 MET A 8 -17.227 -8.322 0.705 1.00 0.00 H new ATOM 0 HE2 MET A 8 -16.335 -8.681 -0.792 1.00 0.00 H new ATOM 0 HE3 MET A 8 -15.451 -8.434 0.733 1.00 0.00 H new ATOM 97 N LYS A 9 -13.566 -1.980 -1.429 1.00 0.00 N ATOM 98 CA LYS A 9 -12.584 -0.955 -1.487 1.00 0.00 C ATOM 99 C LYS A 9 -11.792 -0.997 -0.177 1.00 0.00 C ATOM 100 O LYS A 9 -12.209 -0.474 0.867 1.00 0.00 O ATOM 101 CB LYS A 9 -13.203 0.409 -1.769 1.00 0.00 C ATOM 102 CG LYS A 9 -12.222 1.426 -2.264 1.00 0.00 C ATOM 103 CD LYS A 9 -12.920 2.712 -2.617 1.00 0.00 C ATOM 104 CE LYS A 9 -12.064 3.544 -3.535 1.00 0.00 C ATOM 105 NZ LYS A 9 -12.682 4.845 -3.847 1.00 0.00 N ATOM 0 H LYS A 9 -14.389 -1.758 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 9 -11.904 -1.126 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -13.996 0.292 -2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -13.670 0.782 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.468 1.614 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.699 1.039 -3.138 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -13.874 2.494 -3.098 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.141 3.273 -1.709 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -11.091 3.708 -3.072 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.888 2.996 -4.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.057 5.383 -4.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -13.599 4.691 -4.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.826 5.381 -2.967 1.00 0.00 H new ATOM 119 N ILE A 10 -10.693 -1.677 -0.249 1.00 0.00 N ATOM 120 CA ILE A 10 -9.861 -1.994 0.866 1.00 0.00 C ATOM 121 C ILE A 10 -8.624 -1.146 0.851 1.00 0.00 C ATOM 122 O ILE A 10 -8.081 -0.876 -0.225 1.00 0.00 O ATOM 123 CB ILE A 10 -9.483 -3.479 0.736 1.00 0.00 C ATOM 124 CG1 ILE A 10 -10.734 -4.329 0.899 1.00 0.00 C ATOM 125 CG2 ILE A 10 -8.383 -3.890 1.707 1.00 0.00 C ATOM 126 CD1 ILE A 10 -10.569 -5.742 0.454 1.00 0.00 C ATOM 0 H ILE A 10 -10.334 -2.044 -1.130 1.00 0.00 H new ATOM 0 HA ILE A 10 -10.383 -1.803 1.804 1.00 0.00 H new ATOM 0 HB ILE A 10 -9.068 -3.643 -0.258 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -11.032 -4.321 1.947 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -11.547 -3.873 0.333 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.155 -4.947 1.572 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.488 -3.299 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -8.718 -3.718 2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -11.504 -6.282 0.602 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -10.302 -5.762 -0.603 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -9.780 -6.217 1.036 1.00 0.00 H new ATOM 138 N ARG A 11 -8.190 -0.686 2.019 1.00 0.00 N ATOM 139 CA ARG A 11 -6.946 -0.005 2.082 1.00 0.00 C ATOM 140 C ARG A 11 -5.831 -0.935 1.882 1.00 0.00 C ATOM 141 O ARG A 11 -5.816 -2.032 2.420 1.00 0.00 O ATOM 142 CB ARG A 11 -6.724 0.780 3.365 1.00 0.00 C ATOM 143 CG ARG A 11 -7.193 2.213 3.274 1.00 0.00 C ATOM 144 CD ARG A 11 -6.763 3.016 4.492 1.00 0.00 C ATOM 145 NE ARG A 11 -5.352 2.822 4.857 1.00 0.00 N ATOM 146 CZ ARG A 11 -4.756 3.415 5.892 1.00 0.00 C ATOM 147 NH1 ARG A 11 -5.436 4.232 6.689 1.00 0.00 N ATOM 148 NH2 ARG A 11 -3.491 3.159 6.144 1.00 0.00 N ATOM 0 H ARG A 11 -8.684 -0.780 2.906 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.983 0.725 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.248 0.284 4.182 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.663 0.767 3.612 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.789 2.673 2.372 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.279 2.237 3.185 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.937 4.074 4.299 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.390 2.739 5.339 1.00 0.00 H new ATOM 0 HE ARG A 11 -4.793 2.193 4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.424 4.411 6.512 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.970 4.680 7.478 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.974 2.511 5.550 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.027 3.608 6.934 1.00 0.00 H new ATOM 162 N VAL A 12 -4.950 -0.557 1.097 1.00 0.00 N ATOM 163 CA VAL A 12 -3.831 -1.310 0.859 1.00 0.00 C ATOM 164 C VAL A 12 -2.646 -0.527 1.297 1.00 0.00 C ATOM 165 O VAL A 12 -2.504 0.622 0.843 1.00 0.00 O ATOM 166 CB VAL A 12 -3.693 -1.504 -0.676 1.00 0.00 C ATOM 167 CG1 VAL A 12 -2.500 -2.378 -0.984 1.00 0.00 C ATOM 168 CG2 VAL A 12 -4.952 -2.137 -1.239 1.00 0.00 C ATOM 0 H VAL A 12 -4.986 0.321 0.579 1.00 0.00 H new ATOM 0 HA VAL A 12 -3.900 -2.265 1.380 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.549 -0.528 -1.139 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.413 -2.507 -2.063 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -1.595 -1.907 -0.601 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.630 -3.351 -0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.843 -2.268 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -5.112 -3.108 -0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.806 -1.491 -1.037 1.00 0.00 H new ATOM 178 N GLU A 13 -1.833 -1.040 2.179 1.00 0.00 N ATOM 179 CA GLU A 13 -0.603 -0.378 2.351 1.00 0.00 C ATOM 180 C GLU A 13 0.338 -0.883 1.308 1.00 0.00 C ATOM 181 O GLU A 13 0.244 -2.032 0.896 1.00 0.00 O ATOM 182 CB GLU A 13 0.168 -0.454 3.678 1.00 0.00 C ATOM 183 CG GLU A 13 -0.178 0.646 4.674 1.00 0.00 C ATOM 184 CD GLU A 13 -1.625 0.713 5.101 1.00 0.00 C ATOM 185 OE1 GLU A 13 -2.430 1.367 4.413 1.00 0.00 O ATOM 186 OE2 GLU A 13 -1.951 0.226 6.174 1.00 0.00 O ATOM 0 H GLU A 13 -1.998 -1.867 2.753 1.00 0.00 H new ATOM 0 HA GLU A 13 -0.917 0.665 2.299 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.027 -1.421 4.142 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.236 -0.412 3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.438 0.512 5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 13 0.097 1.606 4.237 1.00 0.00 H new ATOM 193 N LEU A 14 1.214 -0.055 0.883 1.00 0.00 N ATOM 194 CA LEU A 14 2.225 -0.446 -0.065 1.00 0.00 C ATOM 195 C LEU A 14 3.591 -0.364 0.555 1.00 0.00 C ATOM 196 O LEU A 14 3.917 0.614 1.237 1.00 0.00 O ATOM 197 CB LEU A 14 2.105 0.448 -1.328 1.00 0.00 C ATOM 198 CG LEU A 14 3.172 0.387 -2.472 1.00 0.00 C ATOM 199 CD1 LEU A 14 4.386 1.245 -2.196 1.00 0.00 C ATOM 200 CD2 LEU A 14 3.578 -1.031 -2.808 1.00 0.00 C ATOM 0 H LEU A 14 1.264 0.921 1.174 1.00 0.00 H new ATOM 0 HA LEU A 14 2.076 -1.484 -0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.139 0.228 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.067 1.481 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 14 2.678 0.807 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.088 1.160 -3.025 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.079 2.285 -2.086 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.867 0.910 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 14 4.319 -1.018 -3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 14 4.005 -1.506 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.703 -1.592 -3.135 1.00 0.00 H new ATOM 212 N ILE A 15 4.388 -1.386 0.345 1.00 0.00 N ATOM 213 CA ILE A 15 5.785 -1.302 0.708 1.00 0.00 C ATOM 214 C ILE A 15 6.626 -1.180 -0.568 1.00 0.00 C ATOM 215 O ILE A 15 6.609 -2.078 -1.439 1.00 0.00 O ATOM 216 CB ILE A 15 6.416 -2.501 1.539 1.00 0.00 C ATOM 217 CG1 ILE A 15 6.095 -2.362 3.048 1.00 0.00 C ATOM 218 CG2 ILE A 15 7.936 -2.606 1.355 1.00 0.00 C ATOM 219 CD1 ILE A 15 4.624 -2.289 3.401 1.00 0.00 C ATOM 0 H ILE A 15 4.100 -2.273 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 15 5.809 -0.436 1.370 1.00 0.00 H new ATOM 0 HB ILE A 15 5.962 -3.412 1.150 1.00 0.00 H new ATOM 0 HG12 ILE A 15 6.535 -3.209 3.574 1.00 0.00 H new ATOM 0 HG13 ILE A 15 6.585 -1.464 3.424 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.317 -3.441 1.944 1.00 0.00 H new ATOM 0 HG22 ILE A 15 8.165 -2.770 0.302 1.00 0.00 H new ATOM 0 HG23 ILE A 15 8.408 -1.682 1.689 1.00 0.00 H new ATOM 0 HD11 ILE A 15 4.513 -2.193 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 15 4.175 -1.425 2.912 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.124 -3.197 3.064 1.00 0.00 H new ATOM 231 N ASN A 16 7.319 -0.084 -0.678 1.00 0.00 N ATOM 232 CA ASN A 16 8.315 0.141 -1.673 1.00 0.00 C ATOM 233 C ASN A 16 9.024 1.392 -1.266 1.00 0.00 C ATOM 234 O ASN A 16 8.596 2.507 -1.573 1.00 0.00 O ATOM 235 CB ASN A 16 7.744 0.280 -3.083 1.00 0.00 C ATOM 236 CG ASN A 16 8.818 0.349 -4.186 1.00 0.00 C ATOM 237 OD1 ASN A 16 9.914 0.893 -4.004 1.00 0.00 O ATOM 238 ND2 ASN A 16 8.545 -0.264 -5.308 1.00 0.00 N ATOM 0 H ASN A 16 7.197 0.708 -0.047 1.00 0.00 H new ATOM 0 HA ASN A 16 8.983 -0.719 -1.726 1.00 0.00 H new ATOM 0 HB2 ASN A 16 7.085 -0.565 -3.283 1.00 0.00 H new ATOM 0 HB3 ASN A 16 7.131 1.180 -3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.242 -0.300 -6.052 1.00 0.00 H new ATOM 0 HD22 ASN A 16 7.635 -0.707 -5.439 1.00 0.00 H new ATOM 245 N GLY A 17 9.987 1.206 -0.437 1.00 0.00 N ATOM 246 CA GLY A 17 10.795 2.298 0.001 1.00 0.00 C ATOM 247 C GLY A 17 10.869 2.367 1.493 1.00 0.00 C ATOM 248 O GLY A 17 10.461 3.353 2.092 1.00 0.00 O ATOM 0 H GLY A 17 10.240 0.300 -0.042 1.00 0.00 H new ATOM 0 HA2 GLY A 17 11.800 2.195 -0.409 1.00 0.00 H new ATOM 0 HA3 GLY A 17 10.387 3.231 -0.387 1.00 0.00 H new ATOM 252 N ASN A 18 11.401 1.321 2.102 1.00 0.00 N ATOM 253 CA ASN A 18 11.522 1.268 3.539 1.00 0.00 C ATOM 254 C ASN A 18 12.710 2.070 3.927 1.00 0.00 C ATOM 255 O ASN A 18 12.738 2.732 4.973 1.00 0.00 O ATOM 256 CB ASN A 18 11.718 -0.146 4.028 1.00 0.00 C ATOM 257 CG ASN A 18 10.595 -1.097 3.697 1.00 0.00 C ATOM 258 OD1 ASN A 18 9.604 -1.181 4.413 1.00 0.00 O ATOM 259 ND2 ASN A 18 10.762 -1.864 2.659 1.00 0.00 N ATOM 0 H ASN A 18 11.756 0.497 1.617 1.00 0.00 H new ATOM 0 HA ASN A 18 10.606 1.658 3.983 1.00 0.00 H new ATOM 0 HB2 ASN A 18 12.642 -0.537 3.602 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.849 -0.125 5.110 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.056 -2.561 2.421 1.00 0.00 H new ATOM 0 HD22 ASN A 18 11.599 -1.768 2.084 1.00 0.00 H new ATOM 266 N GLU A 19 13.684 2.015 3.056 1.00 0.00 N ATOM 267 CA GLU A 19 14.908 2.716 3.169 1.00 0.00 C ATOM 268 C GLU A 19 14.638 4.182 2.839 1.00 0.00 C ATOM 269 O GLU A 19 14.821 4.604 1.695 1.00 0.00 O ATOM 270 CB GLU A 19 15.940 2.141 2.163 1.00 0.00 C ATOM 271 CG GLU A 19 16.213 0.615 2.224 1.00 0.00 C ATOM 272 CD GLU A 19 15.041 -0.270 1.782 1.00 0.00 C ATOM 273 OE1 GLU A 19 14.138 0.221 1.045 1.00 0.00 O ATOM 274 OE2 GLU A 19 15.008 -1.478 2.156 1.00 0.00 O ATOM 0 H GLU A 19 13.628 1.447 2.211 1.00 0.00 H new ATOM 0 HA GLU A 19 15.310 2.615 4.177 1.00 0.00 H new ATOM 0 HB2 GLU A 19 15.602 2.384 1.156 1.00 0.00 H new ATOM 0 HB3 GLU A 19 16.886 2.660 2.315 1.00 0.00 H new ATOM 0 HG2 GLU A 19 17.076 0.390 1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 19 16.484 0.350 3.246 1.00 0.00 H new ATOM 281 N HIS A 20 14.137 4.920 3.821 1.00 0.00 N ATOM 282 CA HIS A 20 13.712 6.308 3.675 1.00 0.00 C ATOM 283 C HIS A 20 12.522 6.478 2.759 1.00 0.00 C ATOM 284 O HIS A 20 12.614 6.320 1.528 1.00 0.00 O ATOM 285 CB HIS A 20 14.834 7.261 3.333 1.00 0.00 C ATOM 286 CG HIS A 20 15.663 7.649 4.513 1.00 0.00 C ATOM 287 ND1 HIS A 20 16.915 7.153 4.754 1.00 0.00 N ATOM 288 CD2 HIS A 20 15.408 8.510 5.526 1.00 0.00 C ATOM 289 CE1 HIS A 20 17.396 7.686 5.854 1.00 0.00 C ATOM 290 NE2 HIS A 20 16.503 8.512 6.341 1.00 0.00 N ATOM 0 H HIS A 20 14.011 4.561 4.767 1.00 0.00 H new ATOM 0 HA HIS A 20 13.376 6.592 4.673 1.00 0.00 H new ATOM 0 HB2 HIS A 20 15.476 6.800 2.583 1.00 0.00 H new ATOM 0 HB3 HIS A 20 14.413 8.160 2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.506 9.088 5.664 1.00 0.00 H new ATOM 0 HE1 HIS A 20 18.364 7.478 6.285 1.00 0.00 H new ATOM 0 HE2 HIS A 20 16.609 9.066 7.191 1.00 0.00 H new ATOM 299 N ARG A 21 11.403 6.776 3.357 1.00 0.00 N ATOM 300 CA ARG A 21 10.184 6.993 2.629 1.00 0.00 C ATOM 301 C ARG A 21 10.269 8.362 1.990 1.00 0.00 C ATOM 302 O ARG A 21 10.731 9.308 2.637 1.00 0.00 O ATOM 303 CB ARG A 21 8.997 6.944 3.577 1.00 0.00 C ATOM 304 CG ARG A 21 8.918 5.685 4.416 1.00 0.00 C ATOM 305 CD ARG A 21 7.770 5.760 5.398 1.00 0.00 C ATOM 306 NE ARG A 21 7.767 4.627 6.321 1.00 0.00 N ATOM 307 CZ ARG A 21 7.039 4.553 7.444 1.00 0.00 C ATOM 308 NH1 ARG A 21 6.252 5.571 7.803 1.00 0.00 N ATOM 309 NH2 ARG A 21 7.117 3.469 8.211 1.00 0.00 N ATOM 0 H ARG A 21 11.310 6.876 4.368 1.00 0.00 H new ATOM 0 HA ARG A 21 10.051 6.221 1.871 1.00 0.00 H new ATOM 0 HB2 ARG A 21 9.042 7.807 4.242 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.079 7.037 2.996 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.790 4.819 3.767 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.854 5.544 4.956 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.837 6.689 5.964 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.827 5.786 4.852 1.00 0.00 H new ATOM 0 HE ARG A 21 8.364 3.832 6.093 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.204 6.408 7.222 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.699 5.511 8.658 1.00 0.00 H new ATOM 0 HH21 ARG A 21 7.729 2.698 7.944 1.00 0.00 H new ATOM 0 HH22 ARG A 21 6.565 3.409 9.066 1.00 0.00 H new ATOM 323 N THR A 22 9.858 8.455 0.737 1.00 0.00 N ATOM 324 CA THR A 22 9.900 9.676 -0.073 1.00 0.00 C ATOM 325 C THR A 22 11.362 10.149 -0.266 1.00 0.00 C ATOM 326 O THR A 22 12.329 9.366 -0.100 1.00 0.00 O ATOM 327 CB THR A 22 9.000 10.862 0.508 1.00 0.00 C ATOM 328 OG1 THR A 22 9.513 11.383 1.748 1.00 0.00 O ATOM 329 CG2 THR A 22 7.566 10.407 0.720 1.00 0.00 C ATOM 0 H THR A 22 9.471 7.658 0.231 1.00 0.00 H new ATOM 0 HA THR A 22 9.470 9.414 -1.040 1.00 0.00 H new ATOM 0 HB THR A 22 9.028 11.657 -0.237 1.00 0.00 H new ATOM 0 HG1 THR A 22 10.246 10.814 2.064 1.00 0.00 H new ATOM 0 HG21 THR A 22 6.977 11.234 1.116 1.00 0.00 H new ATOM 0 HG22 THR A 22 7.143 10.082 -0.231 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.548 9.578 1.427 1.00 0.00 H new ATOM 337 N SER A 23 11.518 11.381 -0.664 1.00 0.00 N ATOM 338 CA SER A 23 12.809 11.987 -0.790 1.00 0.00 C ATOM 339 C SER A 23 12.890 13.094 0.275 1.00 0.00 C ATOM 340 O SER A 23 13.741 13.990 0.226 1.00 0.00 O ATOM 341 CB SER A 23 12.969 12.548 -2.216 1.00 0.00 C ATOM 342 OG SER A 23 14.304 12.951 -2.487 1.00 0.00 O ATOM 0 H SER A 23 10.743 11.996 -0.912 1.00 0.00 H new ATOM 0 HA SER A 23 13.616 11.272 -0.633 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.666 11.790 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.301 13.399 -2.347 1.00 0.00 H new ATOM 0 HG SER A 23 14.646 13.477 -1.734 1.00 0.00 H new ATOM 348 N SER A 24 12.003 12.960 1.260 1.00 0.00 N ATOM 349 CA SER A 24 11.813 13.901 2.334 1.00 0.00 C ATOM 350 C SER A 24 11.267 15.215 1.822 1.00 0.00 C ATOM 351 O SER A 24 11.985 16.191 1.564 1.00 0.00 O ATOM 352 CB SER A 24 13.038 14.081 3.196 1.00 0.00 C ATOM 353 OG SER A 24 13.444 12.836 3.767 1.00 0.00 O ATOM 0 H SER A 24 11.378 12.156 1.323 1.00 0.00 H new ATOM 0 HA SER A 24 11.062 13.469 2.995 1.00 0.00 H new ATOM 0 HB2 SER A 24 13.851 14.495 2.599 1.00 0.00 H new ATOM 0 HB3 SER A 24 12.828 14.799 3.989 1.00 0.00 H new ATOM 0 HG SER A 24 14.241 12.974 4.321 1.00 0.00 H new ATOM 359 N THR A 25 10.013 15.185 1.617 1.00 0.00 N ATOM 360 CA THR A 25 9.244 16.265 1.119 1.00 0.00 C ATOM 361 C THR A 25 8.232 16.674 2.194 1.00 0.00 C ATOM 362 O THR A 25 8.031 15.918 3.168 1.00 0.00 O ATOM 363 CB THR A 25 8.502 15.762 -0.130 1.00 0.00 C ATOM 364 OG1 THR A 25 7.933 14.469 0.158 1.00 0.00 O ATOM 365 CG2 THR A 25 9.436 15.664 -1.330 1.00 0.00 C ATOM 0 H THR A 25 9.452 14.354 1.803 1.00 0.00 H new ATOM 0 HA THR A 25 9.869 17.122 0.868 1.00 0.00 H new ATOM 0 HB THR A 25 7.716 16.473 -0.382 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.455 14.139 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.879 15.305 -2.196 1.00 0.00 H new ATOM 0 HG22 THR A 25 9.853 16.647 -1.548 1.00 0.00 H new ATOM 0 HG23 THR A 25 10.245 14.969 -1.106 1.00 0.00 H new ATOM 373 N PRO A 26 7.560 17.839 2.063 1.00 0.00 N ATOM 374 CA PRO A 26 6.532 18.278 3.031 1.00 0.00 C ATOM 375 C PRO A 26 5.198 17.526 2.852 1.00 0.00 C ATOM 376 O PRO A 26 4.122 18.043 3.123 1.00 0.00 O ATOM 377 CB PRO A 26 6.373 19.763 2.720 1.00 0.00 C ATOM 378 CG PRO A 26 6.701 19.875 1.272 1.00 0.00 C ATOM 379 CD PRO A 26 7.775 18.860 1.006 1.00 0.00 C ATOM 0 HA PRO A 26 6.822 18.078 4.062 1.00 0.00 H new ATOM 0 HB2 PRO A 26 5.359 20.106 2.925 1.00 0.00 H new ATOM 0 HB3 PRO A 26 7.044 20.370 3.328 1.00 0.00 H new ATOM 0 HG2 PRO A 26 5.822 19.681 0.658 1.00 0.00 H new ATOM 0 HG3 PRO A 26 7.046 20.880 1.028 1.00 0.00 H new ATOM 0 HD2 PRO A 26 7.682 18.430 0.009 1.00 0.00 H new ATOM 0 HD3 PRO A 26 8.769 19.302 1.072 1.00 0.00 H new ATOM 387 N GLN A 27 5.306 16.281 2.457 1.00 0.00 N ATOM 388 CA GLN A 27 4.189 15.422 2.227 1.00 0.00 C ATOM 389 C GLN A 27 3.981 14.517 3.406 1.00 0.00 C ATOM 390 O GLN A 27 3.050 13.735 3.465 1.00 0.00 O ATOM 391 CB GLN A 27 4.419 14.628 1.000 1.00 0.00 C ATOM 392 CG GLN A 27 4.547 15.440 -0.280 1.00 0.00 C ATOM 393 CD GLN A 27 3.293 16.207 -0.641 1.00 0.00 C ATOM 394 OE1 GLN A 27 3.109 17.357 -0.231 1.00 0.00 O ATOM 395 NE2 GLN A 27 2.439 15.610 -1.423 1.00 0.00 N ATOM 0 H GLN A 27 6.205 15.832 2.284 1.00 0.00 H new ATOM 0 HA GLN A 27 3.291 16.026 2.095 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.328 14.040 1.131 1.00 0.00 H new ATOM 0 HB3 GLN A 27 3.597 13.922 0.883 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.374 16.142 -0.173 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.802 14.770 -1.101 1.00 0.00 H new ATOM 0 HE21 GLN A 27 2.620 14.659 -1.745 1.00 0.00 H new ATOM 0 HE22 GLN A 27 1.589 16.093 -1.714 1.00 0.00 H new ATOM 404 N GLN A 28 4.856 14.712 4.329 1.00 0.00 N ATOM 405 CA GLN A 28 5.000 13.967 5.595 1.00 0.00 C ATOM 406 C GLN A 28 4.917 12.434 5.445 1.00 0.00 C ATOM 407 O GLN A 28 3.831 11.858 5.394 1.00 0.00 O ATOM 408 CB GLN A 28 4.061 14.460 6.701 1.00 0.00 C ATOM 409 CG GLN A 28 4.346 15.866 7.213 1.00 0.00 C ATOM 410 CD GLN A 28 3.363 16.914 6.730 1.00 0.00 C ATOM 411 OE1 GLN A 28 3.112 17.896 7.420 1.00 0.00 O ATOM 412 NE2 GLN A 28 2.784 16.721 5.579 1.00 0.00 N ATOM 0 H GLN A 28 5.558 15.446 4.241 1.00 0.00 H new ATOM 0 HA GLN A 28 6.020 14.190 5.906 1.00 0.00 H new ATOM 0 HB2 GLN A 28 3.037 14.427 6.328 1.00 0.00 H new ATOM 0 HB3 GLN A 28 4.118 13.766 7.540 1.00 0.00 H new ATOM 0 HG2 GLN A 28 4.339 15.852 8.303 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.350 16.156 6.905 1.00 0.00 H new ATOM 0 HE21 GLN A 28 3.012 15.895 5.026 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.103 17.396 5.231 1.00 0.00 H new ATOM 421 N PRO A 29 6.069 11.748 5.427 1.00 0.00 N ATOM 422 CA PRO A 29 6.137 10.277 5.260 1.00 0.00 C ATOM 423 C PRO A 29 5.851 9.508 6.578 1.00 0.00 C ATOM 424 O PRO A 29 6.498 8.486 6.883 1.00 0.00 O ATOM 425 CB PRO A 29 7.590 10.070 4.838 1.00 0.00 C ATOM 426 CG PRO A 29 8.343 11.153 5.525 1.00 0.00 C ATOM 427 CD PRO A 29 7.423 12.342 5.575 1.00 0.00 C ATOM 0 HA PRO A 29 5.394 9.905 4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 29 7.952 9.086 5.136 1.00 0.00 H new ATOM 0 HB3 PRO A 29 7.701 10.136 3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 29 8.636 10.846 6.529 1.00 0.00 H new ATOM 0 HG3 PRO A 29 9.259 11.393 4.985 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.521 12.885 6.515 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.639 13.049 4.774 1.00 0.00 H new ATOM 435 N GLN A 30 4.845 9.963 7.309 1.00 0.00 N ATOM 436 CA GLN A 30 4.486 9.394 8.601 1.00 0.00 C ATOM 437 C GLN A 30 3.928 7.993 8.435 1.00 0.00 C ATOM 438 O GLN A 30 4.172 7.110 9.244 1.00 0.00 O ATOM 439 CB GLN A 30 3.461 10.255 9.303 1.00 0.00 C ATOM 440 CG GLN A 30 3.766 11.750 9.275 1.00 0.00 C ATOM 441 CD GLN A 30 5.128 12.124 9.848 1.00 0.00 C ATOM 442 OE1 GLN A 30 5.749 13.084 9.400 1.00 0.00 O ATOM 443 NE2 GLN A 30 5.576 11.419 10.856 1.00 0.00 N ATOM 0 H GLN A 30 4.251 10.741 7.022 1.00 0.00 H new ATOM 0 HA GLN A 30 5.393 9.352 9.204 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.487 10.087 8.843 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.383 9.932 10.341 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.710 12.101 8.245 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.993 12.277 9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.036 10.627 11.205 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.465 11.662 11.293 1.00 0.00 H new ATOM 452 N GLN A 31 3.208 7.796 7.371 1.00 0.00 N ATOM 453 CA GLN A 31 2.611 6.532 7.064 1.00 0.00 C ATOM 454 C GLN A 31 3.315 5.900 5.897 1.00 0.00 C ATOM 455 O GLN A 31 4.345 6.408 5.431 1.00 0.00 O ATOM 456 CB GLN A 31 1.187 6.738 6.672 1.00 0.00 C ATOM 457 CG GLN A 31 0.249 7.174 7.760 1.00 0.00 C ATOM 458 CD GLN A 31 -1.158 7.347 7.239 1.00 0.00 C ATOM 459 OE1 GLN A 31 -1.575 6.668 6.290 1.00 0.00 O ATOM 460 NE2 GLN A 31 -1.910 8.202 7.858 1.00 0.00 N ATOM 0 H GLN A 31 3.016 8.522 6.681 1.00 0.00 H new ATOM 0 HA GLN A 31 2.685 5.892 7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 31 1.156 7.483 5.877 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.811 5.806 6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 31 0.253 6.437 8.563 1.00 0.00 H new ATOM 0 HG3 GLN A 31 0.598 8.114 8.188 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -1.533 8.744 8.635 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -2.879 8.333 7.568 1.00 0.00 H new ATOM 469 N ASN A 32 2.774 4.810 5.431 1.00 0.00 N ATOM 470 CA ASN A 32 3.203 4.202 4.226 1.00 0.00 C ATOM 471 C ASN A 32 2.250 4.684 3.155 1.00 0.00 C ATOM 472 O ASN A 32 1.160 5.203 3.491 1.00 0.00 O ATOM 473 CB ASN A 32 3.113 2.668 4.305 1.00 0.00 C ATOM 474 CG ASN A 32 4.075 2.014 5.281 1.00 0.00 C ATOM 475 OD1 ASN A 32 5.177 2.494 5.518 1.00 0.00 O ATOM 476 ND2 ASN A 32 3.663 0.906 5.845 1.00 0.00 N ATOM 0 H ASN A 32 2.010 4.319 5.894 1.00 0.00 H new ATOM 0 HA ASN A 32 4.242 4.463 4.023 1.00 0.00 H new ATOM 0 HB2 ASN A 32 2.096 2.393 4.583 1.00 0.00 H new ATOM 0 HB3 ASN A 32 3.293 2.258 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 32 4.266 0.415 6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.739 0.535 5.625 1.00 0.00 H new ATOM 483 N PRO A 33 2.640 4.642 1.891 1.00 0.00 N ATOM 484 CA PRO A 33 1.720 4.917 0.786 1.00 0.00 C ATOM 485 C PRO A 33 0.541 3.938 0.842 1.00 0.00 C ATOM 486 O PRO A 33 0.746 2.724 0.978 1.00 0.00 O ATOM 487 CB PRO A 33 2.580 4.639 -0.463 1.00 0.00 C ATOM 488 CG PRO A 33 3.758 3.875 0.044 1.00 0.00 C ATOM 489 CD PRO A 33 4.002 4.374 1.416 1.00 0.00 C ATOM 0 HA PRO A 33 1.303 5.924 0.805 1.00 0.00 H new ATOM 0 HB2 PRO A 33 2.025 4.064 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 33 2.888 5.567 -0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.557 2.804 0.047 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.630 4.034 -0.591 1.00 0.00 H new ATOM 0 HD2 PRO A 33 4.511 3.635 2.034 1.00 0.00 H new ATOM 0 HD3 PRO A 33 4.619 5.272 1.419 1.00 0.00 H new ATOM 497 N SER A 34 -0.668 4.439 0.750 1.00 0.00 N ATOM 498 CA SER A 34 -1.820 3.585 0.858 1.00 0.00 C ATOM 499 C SER A 34 -2.861 4.003 -0.166 1.00 0.00 C ATOM 500 O SER A 34 -2.826 5.132 -0.675 1.00 0.00 O ATOM 501 CB SER A 34 -2.423 3.639 2.278 1.00 0.00 C ATOM 502 OG SER A 34 -1.430 3.487 3.278 1.00 0.00 O ATOM 0 H SER A 34 -0.876 5.427 0.602 1.00 0.00 H new ATOM 0 HA SER A 34 -1.508 2.559 0.664 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.938 4.590 2.418 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.170 2.853 2.386 1.00 0.00 H new ATOM 0 HG SER A 34 -1.777 2.923 4.000 1.00 0.00 H new ATOM 508 N VAL A 35 -3.758 3.115 -0.475 1.00 0.00 N ATOM 509 CA VAL A 35 -4.834 3.378 -1.387 1.00 0.00 C ATOM 510 C VAL A 35 -6.003 2.536 -1.000 1.00 0.00 C ATOM 511 O VAL A 35 -5.827 1.494 -0.409 1.00 0.00 O ATOM 512 CB VAL A 35 -4.439 3.077 -2.882 1.00 0.00 C ATOM 513 CG1 VAL A 35 -4.068 1.631 -3.105 1.00 0.00 C ATOM 514 CG2 VAL A 35 -5.546 3.459 -3.851 1.00 0.00 C ATOM 0 H VAL A 35 -3.764 2.169 -0.094 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.079 4.438 -1.326 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.562 3.694 -3.078 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.805 1.480 -4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.216 1.373 -2.476 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.915 0.994 -2.848 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.231 3.234 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.447 2.892 -3.616 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.755 4.525 -3.762 1.00 0.00 H new ATOM 524 N SER A 36 -7.161 2.994 -1.276 1.00 0.00 N ATOM 525 CA SER A 36 -8.306 2.231 -1.078 1.00 0.00 C ATOM 526 C SER A 36 -8.659 1.667 -2.461 1.00 0.00 C ATOM 527 O SER A 36 -9.084 2.396 -3.351 1.00 0.00 O ATOM 528 CB SER A 36 -9.360 3.092 -0.503 1.00 0.00 C ATOM 529 OG SER A 36 -8.818 3.913 0.540 1.00 0.00 O ATOM 0 H SER A 36 -7.333 3.927 -1.652 1.00 0.00 H new ATOM 0 HA SER A 36 -8.177 1.409 -0.374 1.00 0.00 H new ATOM 0 HB2 SER A 36 -9.791 3.720 -1.282 1.00 0.00 H new ATOM 0 HB3 SER A 36 -10.167 2.475 -0.107 1.00 0.00 H new ATOM 0 HG SER A 36 -9.526 4.480 0.911 1.00 0.00 H new ATOM 535 N HIS A 37 -8.429 0.388 -2.634 1.00 0.00 N ATOM 536 CA HIS A 37 -8.512 -0.245 -3.905 1.00 0.00 C ATOM 537 C HIS A 37 -9.679 -1.220 -3.951 1.00 0.00 C ATOM 538 O HIS A 37 -9.993 -1.858 -2.960 1.00 0.00 O ATOM 539 CB HIS A 37 -7.167 -0.956 -4.173 1.00 0.00 C ATOM 540 CG HIS A 37 -7.111 -1.751 -5.435 1.00 0.00 C ATOM 541 ND1 HIS A 37 -6.630 -1.279 -6.619 1.00 0.00 N ATOM 542 CD2 HIS A 37 -7.501 -2.994 -5.667 1.00 0.00 C ATOM 543 CE1 HIS A 37 -6.736 -2.205 -7.530 1.00 0.00 C ATOM 544 NE2 HIS A 37 -7.270 -3.270 -6.985 1.00 0.00 N ATOM 0 H HIS A 37 -8.175 -0.244 -1.874 1.00 0.00 H new ATOM 0 HA HIS A 37 -8.695 0.496 -4.684 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -6.376 -0.206 -4.199 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -6.951 -1.618 -3.335 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -7.927 -3.671 -4.942 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -6.434 -2.110 -8.563 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.477 -4.149 -7.460 1.00 0.00 H new ATOM 553 N ILE A 38 -10.266 -1.326 -5.114 1.00 0.00 N ATOM 554 CA ILE A 38 -11.442 -2.170 -5.428 1.00 0.00 C ATOM 555 C ILE A 38 -10.876 -3.614 -5.709 1.00 0.00 C ATOM 556 O ILE A 38 -10.145 -3.846 -6.696 1.00 0.00 O ATOM 557 CB ILE A 38 -12.017 -1.645 -6.691 1.00 0.00 C ATOM 558 CG1 ILE A 38 -12.473 -0.174 -6.530 1.00 0.00 C ATOM 559 CG2 ILE A 38 -13.197 -2.539 -7.033 1.00 0.00 C ATOM 560 CD1 ILE A 38 -13.575 0.044 -5.498 1.00 0.00 C ATOM 0 H ILE A 38 -9.936 -0.807 -5.928 1.00 0.00 H new ATOM 0 HA ILE A 38 -12.187 -2.177 -4.632 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.272 -1.653 -7.487 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -11.610 0.431 -6.253 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.821 0.192 -7.496 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.658 -2.195 -7.959 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -12.851 -3.565 -7.160 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -13.929 -2.500 -6.226 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.829 1.103 -5.455 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -14.458 -0.529 -5.782 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.227 -0.286 -4.519 1.00 0.00 H new ATOM 572 N PHE A 39 -11.162 -4.514 -4.845 1.00 0.00 N ATOM 573 CA PHE A 39 -10.777 -5.873 -4.993 1.00 0.00 C ATOM 574 C PHE A 39 -11.995 -6.726 -5.207 1.00 0.00 C ATOM 575 O PHE A 39 -13.049 -6.464 -4.644 1.00 0.00 O ATOM 576 CB PHE A 39 -10.044 -6.372 -3.785 1.00 0.00 C ATOM 577 CG PHE A 39 -8.685 -5.829 -3.560 1.00 0.00 C ATOM 578 CD1 PHE A 39 -7.583 -6.442 -4.123 1.00 0.00 C ATOM 579 CD2 PHE A 39 -8.500 -4.745 -2.748 1.00 0.00 C ATOM 580 CE1 PHE A 39 -6.318 -5.969 -3.882 1.00 0.00 C ATOM 581 CE2 PHE A 39 -7.242 -4.269 -2.490 1.00 0.00 C ATOM 582 CZ PHE A 39 -6.142 -4.882 -3.061 1.00 0.00 C ATOM 0 H PHE A 39 -11.685 -4.324 -3.990 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.112 -5.936 -5.854 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.648 -6.151 -2.905 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.969 -7.457 -3.857 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.719 -7.303 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -9.356 -4.258 -2.305 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.464 -6.449 -4.336 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.109 -3.416 -1.841 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.149 -4.508 -2.862 1.00 0.00 H new ATOM 592 N ASP A 40 -11.832 -7.726 -6.007 1.00 0.00 N ATOM 593 CA ASP A 40 -12.852 -8.675 -6.351 1.00 0.00 C ATOM 594 C ASP A 40 -12.170 -10.019 -6.540 1.00 0.00 C ATOM 595 O ASP A 40 -10.970 -10.142 -6.253 1.00 0.00 O ATOM 596 CB ASP A 40 -13.573 -8.250 -7.636 1.00 0.00 C ATOM 597 CG ASP A 40 -12.647 -8.115 -8.823 1.00 0.00 C ATOM 598 OD1 ASP A 40 -12.235 -9.124 -9.400 1.00 0.00 O ATOM 599 OD2 ASP A 40 -12.283 -6.985 -9.169 1.00 0.00 O ATOM 0 H ASP A 40 -10.941 -7.918 -6.465 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.603 -8.733 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -14.347 -8.981 -7.869 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -14.075 -7.298 -7.465 1.00 0.00 H new ATOM 604 N GLY A 41 -12.875 -10.976 -7.080 1.00 0.00 N ATOM 605 CA GLY A 41 -12.326 -12.306 -7.204 1.00 0.00 C ATOM 606 C GLY A 41 -12.262 -12.756 -8.640 1.00 0.00 C ATOM 607 O GLY A 41 -11.660 -13.787 -8.959 1.00 0.00 O ATOM 0 H GLY A 41 -13.823 -10.865 -7.439 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -11.325 -12.327 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -12.935 -13.005 -6.631 1.00 0.00 H new ATOM 611 N GLU A 42 -12.875 -11.981 -9.502 1.00 0.00 N ATOM 612 CA GLU A 42 -12.957 -12.274 -10.889 1.00 0.00 C ATOM 613 C GLU A 42 -11.697 -11.839 -11.602 1.00 0.00 C ATOM 614 O GLU A 42 -11.325 -12.374 -12.653 1.00 0.00 O ATOM 615 CB GLU A 42 -14.172 -11.577 -11.486 1.00 0.00 C ATOM 616 CG GLU A 42 -15.466 -11.668 -10.679 1.00 0.00 C ATOM 617 CD GLU A 42 -15.569 -10.582 -9.632 1.00 0.00 C ATOM 618 OE1 GLU A 42 -15.915 -9.443 -9.996 1.00 0.00 O ATOM 619 OE2 GLU A 42 -15.300 -10.835 -8.428 1.00 0.00 O ATOM 0 H GLU A 42 -13.338 -11.111 -9.239 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.063 -13.351 -11.017 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.929 -10.524 -11.625 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.355 -11.996 -12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -16.318 -11.599 -11.355 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -15.521 -12.643 -10.194 1.00 0.00 H new ATOM 626 N THR A 43 -11.056 -10.861 -11.048 1.00 0.00 N ATOM 627 CA THR A 43 -9.843 -10.388 -11.513 1.00 0.00 C ATOM 628 C THR A 43 -8.737 -11.058 -10.711 1.00 0.00 C ATOM 629 O THR A 43 -8.814 -11.106 -9.462 1.00 0.00 O ATOM 630 CB THR A 43 -9.788 -8.907 -11.263 1.00 0.00 C ATOM 631 OG1 THR A 43 -10.968 -8.264 -11.789 1.00 0.00 O ATOM 632 CG2 THR A 43 -8.534 -8.301 -11.827 1.00 0.00 C ATOM 0 H THR A 43 -11.399 -10.366 -10.225 1.00 0.00 H new ATOM 0 HA THR A 43 -9.725 -10.598 -12.576 1.00 0.00 H new ATOM 0 HB THR A 43 -9.765 -8.745 -10.185 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.731 -8.450 -11.202 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.527 -7.229 -11.629 1.00 0.00 H new ATOM 0 HG22 THR A 43 -7.664 -8.763 -11.359 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.500 -8.471 -12.903 1.00 0.00 H new ATOM 640 N ALA A 44 -7.763 -11.616 -11.405 1.00 0.00 N ATOM 641 CA ALA A 44 -6.603 -12.210 -10.787 1.00 0.00 C ATOM 642 C ALA A 44 -5.925 -11.233 -9.860 1.00 0.00 C ATOM 643 O ALA A 44 -5.953 -10.002 -10.074 1.00 0.00 O ATOM 644 CB ALA A 44 -5.609 -12.676 -11.832 1.00 0.00 C ATOM 0 H ALA A 44 -7.759 -11.668 -12.424 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.947 -13.070 -10.212 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.744 -13.120 -11.339 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -6.080 -13.418 -12.477 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.287 -11.825 -12.433 1.00 0.00 H new ATOM 650 N VAL A 45 -5.324 -11.777 -8.841 1.00 0.00 N ATOM 651 CA VAL A 45 -4.596 -11.026 -7.843 1.00 0.00 C ATOM 652 C VAL A 45 -3.579 -10.139 -8.498 1.00 0.00 C ATOM 653 O VAL A 45 -3.579 -8.938 -8.289 1.00 0.00 O ATOM 654 CB VAL A 45 -3.796 -11.953 -6.922 1.00 0.00 C ATOM 655 CG1 VAL A 45 -2.988 -11.117 -5.958 1.00 0.00 C ATOM 656 CG2 VAL A 45 -4.765 -12.799 -6.152 1.00 0.00 C ATOM 0 H VAL A 45 -5.323 -12.783 -8.671 1.00 0.00 H new ATOM 0 HA VAL A 45 -5.338 -10.458 -7.283 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.125 -12.583 -7.506 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.416 -11.771 -5.300 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.305 -10.477 -6.516 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.659 -10.499 -5.362 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.217 -13.468 -5.489 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.419 -12.157 -5.561 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.365 -13.388 -6.846 1.00 0.00 H new ATOM 666 N LYS A 46 -2.751 -10.757 -9.319 1.00 0.00 N ATOM 667 CA LYS A 46 -1.646 -10.076 -10.008 1.00 0.00 C ATOM 668 C LYS A 46 -2.135 -8.872 -10.806 1.00 0.00 C ATOM 669 O LYS A 46 -1.469 -7.886 -10.916 1.00 0.00 O ATOM 670 CB LYS A 46 -0.878 -11.045 -10.920 1.00 0.00 C ATOM 671 CG LYS A 46 -1.740 -11.707 -11.985 1.00 0.00 C ATOM 672 CD LYS A 46 -0.918 -12.579 -12.903 1.00 0.00 C ATOM 673 CE LYS A 46 -1.793 -13.263 -13.941 1.00 0.00 C ATOM 674 NZ LYS A 46 -2.498 -12.304 -14.833 1.00 0.00 N ATOM 0 H LYS A 46 -2.818 -11.752 -9.535 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.965 -9.714 -9.238 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -0.068 -10.503 -11.408 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.419 -11.819 -10.306 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.513 -12.309 -11.506 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.249 -10.941 -12.570 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.162 -11.974 -13.403 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.389 -13.331 -12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.176 -13.927 -14.547 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.529 -13.886 -13.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.749 -12.779 -15.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.363 -11.966 -14.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -1.875 -11.496 -15.035 1.00 0.00 H new ATOM 688 N ASP A 47 -3.315 -8.954 -11.308 1.00 0.00 N ATOM 689 CA ASP A 47 -3.864 -7.899 -12.086 1.00 0.00 C ATOM 690 C ASP A 47 -4.369 -6.785 -11.226 1.00 0.00 C ATOM 691 O ASP A 47 -4.260 -5.620 -11.577 1.00 0.00 O ATOM 692 CB ASP A 47 -4.899 -8.438 -13.015 1.00 0.00 C ATOM 693 CG ASP A 47 -4.247 -9.283 -14.087 1.00 0.00 C ATOM 694 OD1 ASP A 47 -3.629 -8.726 -15.022 1.00 0.00 O ATOM 695 OD2 ASP A 47 -4.271 -10.528 -13.967 1.00 0.00 O ATOM 0 H ASP A 47 -3.931 -9.758 -11.191 1.00 0.00 H new ATOM 0 HA ASP A 47 -3.075 -7.461 -12.697 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.621 -9.036 -12.459 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.450 -7.617 -13.473 1.00 0.00 H new ATOM 700 N HIS A 48 -4.889 -7.142 -10.066 1.00 0.00 N ATOM 701 CA HIS A 48 -5.223 -6.158 -9.034 1.00 0.00 C ATOM 702 C HIS A 48 -3.903 -5.461 -8.618 1.00 0.00 C ATOM 703 O HIS A 48 -3.859 -4.251 -8.400 1.00 0.00 O ATOM 704 CB HIS A 48 -5.856 -6.804 -7.788 1.00 0.00 C ATOM 705 CG HIS A 48 -7.198 -7.452 -7.913 1.00 0.00 C ATOM 706 ND1 HIS A 48 -8.341 -6.783 -8.265 1.00 0.00 N ATOM 707 CD2 HIS A 48 -7.585 -8.728 -7.657 1.00 0.00 C ATOM 708 CE1 HIS A 48 -9.359 -7.598 -8.215 1.00 0.00 C ATOM 709 NE2 HIS A 48 -8.933 -8.783 -7.850 1.00 0.00 N ATOM 0 H HIS A 48 -5.092 -8.108 -9.807 1.00 0.00 H new ATOM 0 HA HIS A 48 -5.953 -5.458 -9.441 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -5.160 -7.556 -7.417 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -5.932 -6.034 -7.020 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -6.945 -9.545 -7.357 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -10.384 -7.339 -8.438 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.516 -9.611 -7.730 1.00 0.00 H new ATOM 718 N ILE A 49 -2.873 -6.259 -8.542 1.00 0.00 N ATOM 719 CA ILE A 49 -1.545 -5.837 -8.188 1.00 0.00 C ATOM 720 C ILE A 49 -0.932 -4.923 -9.231 1.00 0.00 C ATOM 721 O ILE A 49 -0.373 -3.908 -8.864 1.00 0.00 O ATOM 722 CB ILE A 49 -0.673 -7.030 -7.787 1.00 0.00 C ATOM 723 CG1 ILE A 49 -1.225 -7.622 -6.495 1.00 0.00 C ATOM 724 CG2 ILE A 49 0.795 -6.618 -7.628 1.00 0.00 C ATOM 725 CD1 ILE A 49 -0.393 -8.718 -5.941 1.00 0.00 C ATOM 0 H ILE A 49 -2.938 -7.259 -8.732 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.611 -5.214 -7.296 1.00 0.00 H new ATOM 0 HB ILE A 49 -0.703 -7.783 -8.574 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.311 -6.831 -5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.231 -7.998 -6.678 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.388 -7.487 -7.343 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.166 -6.220 -8.573 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.877 -5.854 -6.855 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.847 -9.091 -5.023 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.327 -9.528 -6.668 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.607 -8.342 -5.725 1.00 0.00 H new ATOM 737 N LYS A 50 -1.085 -5.230 -10.522 1.00 0.00 N ATOM 738 CA LYS A 50 -0.613 -4.321 -11.576 1.00 0.00 C ATOM 739 C LYS A 50 -1.234 -2.933 -11.410 1.00 0.00 C ATOM 740 O LYS A 50 -0.561 -1.916 -11.609 1.00 0.00 O ATOM 741 CB LYS A 50 -0.945 -4.841 -12.967 1.00 0.00 C ATOM 742 CG LYS A 50 -0.313 -6.134 -13.359 1.00 0.00 C ATOM 743 CD LYS A 50 -0.810 -6.515 -14.723 1.00 0.00 C ATOM 744 CE LYS A 50 -0.303 -7.858 -15.147 1.00 0.00 C ATOM 745 NZ LYS A 50 -1.129 -8.409 -16.241 1.00 0.00 N ATOM 0 H LYS A 50 -1.524 -6.086 -10.861 1.00 0.00 H new ATOM 0 HA LYS A 50 0.471 -4.260 -11.475 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.027 -4.953 -13.041 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.653 -4.083 -13.694 1.00 0.00 H new ATOM 0 HG2 LYS A 50 0.773 -6.038 -13.365 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -0.560 -6.911 -12.635 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -1.900 -6.522 -14.723 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.496 -5.763 -15.447 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.733 -7.774 -15.475 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.314 -8.541 -14.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -0.658 -9.244 -16.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.061 -8.683 -15.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.250 -7.688 -16.981 1.00 0.00 H new ATOM 759 N VAL A 51 -2.502 -2.905 -11.009 1.00 0.00 N ATOM 760 CA VAL A 51 -3.218 -1.664 -10.784 1.00 0.00 C ATOM 761 C VAL A 51 -2.629 -0.932 -9.600 1.00 0.00 C ATOM 762 O VAL A 51 -2.282 0.244 -9.710 1.00 0.00 O ATOM 763 CB VAL A 51 -4.712 -1.870 -10.545 1.00 0.00 C ATOM 764 CG1 VAL A 51 -5.388 -0.551 -10.264 1.00 0.00 C ATOM 765 CG2 VAL A 51 -5.372 -2.596 -11.686 1.00 0.00 C ATOM 0 H VAL A 51 -3.056 -3.743 -10.833 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.108 -1.076 -11.695 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.823 -2.505 -9.666 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.452 -0.716 -10.096 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.947 -0.098 -9.376 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.254 0.115 -11.116 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -6.434 -2.720 -11.473 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.251 -2.019 -12.603 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.910 -3.575 -11.810 1.00 0.00 H new ATOM 775 N LEU A 52 -2.527 -1.611 -8.484 1.00 0.00 N ATOM 776 CA LEU A 52 -1.922 -1.053 -7.292 1.00 0.00 C ATOM 777 C LEU A 52 -0.538 -0.538 -7.583 1.00 0.00 C ATOM 778 O LEU A 52 -0.237 0.589 -7.246 1.00 0.00 O ATOM 779 CB LEU A 52 -1.881 -2.122 -6.232 1.00 0.00 C ATOM 780 CG LEU A 52 -3.236 -2.532 -5.750 1.00 0.00 C ATOM 781 CD1 LEU A 52 -3.187 -3.909 -5.196 1.00 0.00 C ATOM 782 CD2 LEU A 52 -3.719 -1.559 -4.719 1.00 0.00 C ATOM 0 H LEU A 52 -2.861 -2.568 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.515 -0.209 -6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.364 -2.996 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.296 -1.762 -5.386 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.934 -2.528 -6.587 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.179 -4.197 -4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -2.859 -4.602 -5.971 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.487 -3.941 -4.361 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.707 -1.860 -4.369 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.025 -1.545 -3.879 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -3.777 -0.563 -5.158 1.00 0.00 H new ATOM 794 N LEU A 53 0.274 -1.343 -8.262 1.00 0.00 N ATOM 795 CA LEU A 53 1.603 -0.946 -8.637 1.00 0.00 C ATOM 796 C LEU A 53 1.547 0.322 -9.453 1.00 0.00 C ATOM 797 O LEU A 53 2.207 1.266 -9.140 1.00 0.00 O ATOM 798 CB LEU A 53 2.303 -2.064 -9.400 1.00 0.00 C ATOM 799 CG LEU A 53 2.507 -3.346 -8.626 1.00 0.00 C ATOM 800 CD1 LEU A 53 3.209 -4.348 -9.482 1.00 0.00 C ATOM 801 CD2 LEU A 53 3.274 -3.090 -7.350 1.00 0.00 C ATOM 0 H LEU A 53 0.018 -2.284 -8.561 1.00 0.00 H new ATOM 0 HA LEU A 53 2.184 -0.750 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 53 1.724 -2.288 -10.296 1.00 0.00 H new ATOM 0 HB3 LEU A 53 3.276 -1.701 -9.732 1.00 0.00 H new ATOM 0 HG LEU A 53 1.532 -3.747 -8.348 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.353 -5.270 -8.919 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.608 -4.554 -10.368 1.00 0.00 H new ATOM 0 HD13 LEU A 53 4.178 -3.952 -9.785 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.408 -4.028 -6.811 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.250 -2.668 -7.590 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.719 -2.389 -6.726 1.00 0.00 H new ATOM 813 N THR A 54 0.696 0.346 -10.447 1.00 0.00 N ATOM 814 CA THR A 54 0.512 1.478 -11.262 1.00 0.00 C ATOM 815 C THR A 54 0.038 2.733 -10.501 1.00 0.00 C ATOM 816 O THR A 54 0.487 3.856 -10.768 1.00 0.00 O ATOM 817 CB THR A 54 -0.390 1.109 -12.441 1.00 0.00 C ATOM 818 OG1 THR A 54 0.210 0.095 -13.258 1.00 0.00 O ATOM 819 CG2 THR A 54 -0.834 2.266 -13.250 1.00 0.00 C ATOM 0 H THR A 54 0.108 -0.447 -10.702 1.00 0.00 H new ATOM 0 HA THR A 54 1.488 1.774 -11.647 1.00 0.00 H new ATOM 0 HB THR A 54 -1.299 0.704 -11.997 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.062 -0.784 -12.850 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.469 1.918 -14.065 1.00 0.00 H new ATOM 0 HG22 THR A 54 -1.397 2.956 -12.621 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.036 2.778 -13.661 1.00 0.00 H new ATOM 827 N HIS A 55 -0.815 2.541 -9.537 1.00 0.00 N ATOM 828 CA HIS A 55 -1.281 3.621 -8.711 1.00 0.00 C ATOM 829 C HIS A 55 -0.202 4.084 -7.706 1.00 0.00 C ATOM 830 O HIS A 55 -0.160 5.244 -7.309 1.00 0.00 O ATOM 831 CB HIS A 55 -2.606 3.217 -8.058 1.00 0.00 C ATOM 832 CG HIS A 55 -3.240 4.287 -7.233 1.00 0.00 C ATOM 833 ND1 HIS A 55 -4.125 5.213 -7.734 1.00 0.00 N ATOM 834 CD2 HIS A 55 -3.103 4.568 -5.932 1.00 0.00 C ATOM 835 CE1 HIS A 55 -4.498 6.021 -6.768 1.00 0.00 C ATOM 836 NE2 HIS A 55 -3.891 5.655 -5.662 1.00 0.00 N ATOM 0 H HIS A 55 -1.209 1.630 -9.300 1.00 0.00 H new ATOM 0 HA HIS A 55 -1.474 4.499 -9.327 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.304 2.916 -8.839 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -2.435 2.344 -7.429 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -2.485 4.035 -5.225 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -5.187 6.847 -6.866 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -3.990 6.106 -4.752 1.00 0.00 H new ATOM 845 N PHE A 56 0.651 3.170 -7.312 1.00 0.00 N ATOM 846 CA PHE A 56 1.785 3.473 -6.455 1.00 0.00 C ATOM 847 C PHE A 56 3.013 3.876 -7.258 1.00 0.00 C ATOM 848 O PHE A 56 4.082 4.157 -6.705 1.00 0.00 O ATOM 849 CB PHE A 56 2.084 2.304 -5.559 1.00 0.00 C ATOM 850 CG PHE A 56 1.056 2.125 -4.500 1.00 0.00 C ATOM 851 CD1 PHE A 56 0.808 3.146 -3.611 1.00 0.00 C ATOM 852 CD2 PHE A 56 0.363 0.942 -4.373 1.00 0.00 C ATOM 853 CE1 PHE A 56 -0.116 2.997 -2.605 1.00 0.00 C ATOM 854 CE2 PHE A 56 -0.570 0.779 -3.373 1.00 0.00 C ATOM 855 CZ PHE A 56 -0.807 1.812 -2.484 1.00 0.00 C ATOM 0 H PHE A 56 0.583 2.187 -7.575 1.00 0.00 H new ATOM 0 HA PHE A 56 1.517 4.329 -5.836 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.146 1.396 -6.159 1.00 0.00 H new ATOM 0 HB3 PHE A 56 3.060 2.446 -5.094 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.347 4.077 -3.705 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.553 0.134 -5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.299 3.805 -1.913 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -1.113 -0.150 -3.283 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.534 1.689 -1.695 1.00 0.00 H new ATOM 865 N LYS A 57 2.825 3.897 -8.555 1.00 0.00 N ATOM 866 CA LYS A 57 3.824 4.297 -9.555 1.00 0.00 C ATOM 867 C LYS A 57 5.002 3.331 -9.645 1.00 0.00 C ATOM 868 O LYS A 57 6.169 3.728 -9.791 1.00 0.00 O ATOM 869 CB LYS A 57 4.276 5.735 -9.360 1.00 0.00 C ATOM 870 CG LYS A 57 3.200 6.758 -9.687 1.00 0.00 C ATOM 871 CD LYS A 57 3.667 8.210 -9.516 1.00 0.00 C ATOM 872 CE LYS A 57 4.767 8.649 -10.510 1.00 0.00 C ATOM 873 NZ LYS A 57 6.099 8.026 -10.265 1.00 0.00 N ATOM 0 H LYS A 57 1.936 3.626 -8.976 1.00 0.00 H new ATOM 0 HA LYS A 57 3.323 4.244 -10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.593 5.871 -8.326 1.00 0.00 H new ATOM 0 HB3 LYS A 57 5.147 5.922 -9.988 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.868 6.610 -10.715 1.00 0.00 H new ATOM 0 HG3 LYS A 57 2.336 6.584 -9.045 1.00 0.00 H new ATOM 0 HD2 LYS A 57 2.808 8.871 -9.629 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.039 8.342 -8.500 1.00 0.00 H new ATOM 0 HE2 LYS A 57 4.445 8.404 -11.522 1.00 0.00 H new ATOM 0 HE3 LYS A 57 4.872 9.733 -10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.841 8.750 -10.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.119 7.614 -9.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 6.267 7.278 -10.968 1.00 0.00 H new ATOM 887 N ILE A 58 4.684 2.080 -9.576 1.00 0.00 N ATOM 888 CA ILE A 58 5.592 1.017 -9.702 1.00 0.00 C ATOM 889 C ILE A 58 5.307 0.291 -11.024 1.00 0.00 C ATOM 890 O ILE A 58 4.136 0.128 -11.390 1.00 0.00 O ATOM 891 CB ILE A 58 5.364 0.049 -8.545 1.00 0.00 C ATOM 892 CG1 ILE A 58 5.542 0.804 -7.247 1.00 0.00 C ATOM 893 CG2 ILE A 58 6.326 -1.136 -8.623 1.00 0.00 C ATOM 894 CD1 ILE A 58 5.150 0.020 -6.073 1.00 0.00 C ATOM 0 H ILE A 58 3.725 1.768 -9.421 1.00 0.00 H new ATOM 0 HA ILE A 58 6.619 1.383 -9.688 1.00 0.00 H new ATOM 0 HB ILE A 58 4.353 -0.355 -8.600 1.00 0.00 H new ATOM 0 HG12 ILE A 58 6.585 1.103 -7.146 1.00 0.00 H new ATOM 0 HG13 ILE A 58 4.951 1.719 -7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 58 6.142 -1.810 -7.786 1.00 0.00 H new ATOM 0 HG22 ILE A 58 6.170 -1.670 -9.560 1.00 0.00 H new ATOM 0 HG23 ILE A 58 7.353 -0.774 -8.578 1.00 0.00 H new ATOM 0 HD11 ILE A 58 5.300 0.614 -5.172 1.00 0.00 H new ATOM 0 HD12 ILE A 58 4.099 -0.256 -6.154 1.00 0.00 H new ATOM 0 HD13 ILE A 58 5.759 -0.882 -6.018 1.00 0.00 H new ATOM 906 N PRO A 59 6.335 -0.080 -11.794 1.00 0.00 N ATOM 907 CA PRO A 59 6.165 -0.905 -12.999 1.00 0.00 C ATOM 908 C PRO A 59 5.504 -2.215 -12.662 1.00 0.00 C ATOM 909 O PRO A 59 5.872 -2.899 -11.687 1.00 0.00 O ATOM 910 CB PRO A 59 7.610 -1.156 -13.458 1.00 0.00 C ATOM 911 CG PRO A 59 8.431 -0.855 -12.263 1.00 0.00 C ATOM 912 CD PRO A 59 7.740 0.274 -11.585 1.00 0.00 C ATOM 0 HA PRO A 59 5.540 -0.427 -13.753 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.750 -2.186 -13.787 1.00 0.00 H new ATOM 0 HB3 PRO A 59 7.878 -0.514 -14.297 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.503 -1.723 -11.607 1.00 0.00 H new ATOM 0 HG3 PRO A 59 9.448 -0.582 -12.544 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.995 0.336 -10.527 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.992 1.237 -12.030 1.00 0.00 H new ATOM 920 N VAL A 60 4.544 -2.570 -13.468 1.00 0.00 N ATOM 921 CA VAL A 60 3.785 -3.773 -13.303 1.00 0.00 C ATOM 922 C VAL A 60 4.632 -5.017 -13.433 1.00 0.00 C ATOM 923 O VAL A 60 4.186 -6.068 -13.128 1.00 0.00 O ATOM 924 CB VAL A 60 2.643 -3.849 -14.343 1.00 0.00 C ATOM 925 CG1 VAL A 60 1.664 -2.716 -14.157 1.00 0.00 C ATOM 926 CG2 VAL A 60 3.149 -3.889 -15.746 1.00 0.00 C ATOM 0 H VAL A 60 4.262 -2.016 -14.277 1.00 0.00 H new ATOM 0 HA VAL A 60 3.378 -3.735 -12.293 1.00 0.00 H new ATOM 0 HB VAL A 60 2.121 -4.790 -14.167 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.872 -2.794 -14.901 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.230 -2.770 -13.158 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.182 -1.764 -14.277 1.00 0.00 H new ATOM 0 HG21 VAL A 60 2.306 -3.942 -16.435 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.728 -2.988 -15.950 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.783 -4.766 -15.879 1.00 0.00 H new ATOM 936 N ASP A 61 5.881 -4.875 -13.871 1.00 0.00 N ATOM 937 CA ASP A 61 6.772 -6.032 -14.032 1.00 0.00 C ATOM 938 C ASP A 61 7.176 -6.584 -12.689 1.00 0.00 C ATOM 939 O ASP A 61 7.714 -7.684 -12.579 1.00 0.00 O ATOM 940 CB ASP A 61 8.028 -5.710 -14.842 1.00 0.00 C ATOM 941 CG ASP A 61 7.758 -5.414 -16.284 1.00 0.00 C ATOM 942 OD1 ASP A 61 7.647 -6.353 -17.090 1.00 0.00 O ATOM 943 OD2 ASP A 61 7.666 -4.235 -16.654 1.00 0.00 O ATOM 0 H ASP A 61 6.301 -3.979 -14.120 1.00 0.00 H new ATOM 0 HA ASP A 61 6.202 -6.777 -14.587 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.529 -4.853 -14.392 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.717 -6.552 -14.777 1.00 0.00 H new ATOM 948 N LYS A 62 6.935 -5.811 -11.660 1.00 0.00 N ATOM 949 CA LYS A 62 7.251 -6.206 -10.345 1.00 0.00 C ATOM 950 C LYS A 62 6.125 -7.001 -9.702 1.00 0.00 C ATOM 951 O LYS A 62 6.277 -7.513 -8.614 1.00 0.00 O ATOM 952 CB LYS A 62 7.641 -5.014 -9.541 1.00 0.00 C ATOM 953 CG LYS A 62 8.902 -4.391 -10.086 1.00 0.00 C ATOM 954 CD LYS A 62 9.473 -3.441 -9.120 1.00 0.00 C ATOM 955 CE LYS A 62 10.742 -2.793 -9.666 1.00 0.00 C ATOM 956 NZ LYS A 62 11.403 -1.933 -8.668 1.00 0.00 N ATOM 0 H LYS A 62 6.510 -4.886 -11.731 1.00 0.00 H new ATOM 0 HA LYS A 62 8.104 -6.883 -10.380 1.00 0.00 H new ATOM 0 HB2 LYS A 62 6.834 -4.282 -9.552 1.00 0.00 H new ATOM 0 HB3 LYS A 62 7.793 -5.305 -8.502 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.630 -5.170 -10.311 1.00 0.00 H new ATOM 0 HG3 LYS A 62 8.684 -3.878 -11.023 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.739 -2.670 -8.888 1.00 0.00 H new ATOM 0 HD3 LYS A 62 9.698 -3.958 -8.187 1.00 0.00 H new ATOM 0 HE2 LYS A 62 11.435 -3.570 -9.989 1.00 0.00 H new ATOM 0 HE3 LYS A 62 10.495 -2.200 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.260 -1.515 -9.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.753 -1.175 -8.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 11.663 -2.502 -7.837 1.00 0.00 H new ATOM 970 N VAL A 63 4.990 -7.094 -10.415 1.00 0.00 N ATOM 971 CA VAL A 63 3.764 -7.880 -10.054 1.00 0.00 C ATOM 972 C VAL A 63 4.135 -9.308 -9.650 1.00 0.00 C ATOM 973 O VAL A 63 3.505 -9.919 -8.798 1.00 0.00 O ATOM 974 CB VAL A 63 2.889 -7.874 -11.328 1.00 0.00 C ATOM 975 CG1 VAL A 63 3.283 -8.841 -12.434 1.00 0.00 C ATOM 976 CG2 VAL A 63 1.467 -8.042 -10.973 1.00 0.00 C ATOM 0 H VAL A 63 4.882 -6.606 -11.304 1.00 0.00 H new ATOM 0 HA VAL A 63 3.239 -7.448 -9.202 1.00 0.00 H new ATOM 0 HB VAL A 63 3.070 -6.893 -11.768 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.592 -8.738 -13.270 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.295 -8.616 -12.770 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.245 -9.862 -12.055 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.862 -8.036 -11.880 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.331 -8.990 -10.453 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.155 -7.224 -10.323 1.00 0.00 H new ATOM 986 N SER A 64 5.193 -9.783 -10.262 1.00 0.00 N ATOM 987 CA SER A 64 5.804 -11.051 -9.988 1.00 0.00 C ATOM 988 C SER A 64 6.180 -11.159 -8.507 1.00 0.00 C ATOM 989 O SER A 64 5.878 -12.142 -7.828 1.00 0.00 O ATOM 990 CB SER A 64 7.115 -11.068 -10.750 1.00 0.00 C ATOM 991 OG SER A 64 6.888 -10.869 -12.140 1.00 0.00 O ATOM 0 H SER A 64 5.671 -9.266 -11.000 1.00 0.00 H new ATOM 0 HA SER A 64 5.120 -11.854 -10.261 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.774 -10.288 -10.368 1.00 0.00 H new ATOM 0 HB3 SER A 64 7.622 -12.020 -10.591 1.00 0.00 H new ATOM 0 HG SER A 64 7.134 -9.952 -12.384 1.00 0.00 H new ATOM 997 N SER A 65 6.786 -10.104 -8.020 1.00 0.00 N ATOM 998 CA SER A 65 7.330 -10.042 -6.712 1.00 0.00 C ATOM 999 C SER A 65 6.428 -9.278 -5.760 1.00 0.00 C ATOM 1000 O SER A 65 6.844 -8.911 -4.698 1.00 0.00 O ATOM 1001 CB SER A 65 8.703 -9.379 -6.766 1.00 0.00 C ATOM 1002 OG SER A 65 9.550 -10.058 -7.694 1.00 0.00 O ATOM 0 H SER A 65 6.911 -9.243 -8.552 1.00 0.00 H new ATOM 0 HA SER A 65 7.419 -11.061 -6.335 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.598 -8.334 -7.058 1.00 0.00 H new ATOM 0 HB3 SER A 65 9.157 -9.389 -5.775 1.00 0.00 H new ATOM 0 HG SER A 65 10.426 -9.620 -7.718 1.00 0.00 H new ATOM 1008 N TYR A 66 5.214 -9.051 -6.129 1.00 0.00 N ATOM 1009 CA TYR A 66 4.306 -8.364 -5.256 1.00 0.00 C ATOM 1010 C TYR A 66 3.179 -9.237 -4.842 1.00 0.00 C ATOM 1011 O TYR A 66 2.724 -10.084 -5.611 1.00 0.00 O ATOM 1012 CB TYR A 66 3.805 -7.074 -5.850 1.00 0.00 C ATOM 1013 CG TYR A 66 4.676 -5.893 -5.555 1.00 0.00 C ATOM 1014 CD1 TYR A 66 4.491 -5.187 -4.394 1.00 0.00 C ATOM 1015 CD2 TYR A 66 5.662 -5.475 -6.422 1.00 0.00 C ATOM 1016 CE1 TYR A 66 5.241 -4.093 -4.092 1.00 0.00 C ATOM 1017 CE2 TYR A 66 6.435 -4.375 -6.131 1.00 0.00 C ATOM 1018 CZ TYR A 66 6.209 -3.681 -4.956 1.00 0.00 C ATOM 1019 OH TYR A 66 6.959 -2.577 -4.644 1.00 0.00 O ATOM 0 H TYR A 66 4.821 -9.328 -7.028 1.00 0.00 H new ATOM 0 HA TYR A 66 4.873 -8.104 -4.362 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.722 -7.191 -6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 66 2.802 -6.877 -5.472 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.729 -5.509 -3.700 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.830 -6.017 -7.341 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.069 -3.554 -3.172 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.210 -4.057 -6.813 1.00 0.00 H new ATOM 0 HH TYR A 66 7.910 -2.788 -4.746 1.00 0.00 H new ATOM 1029 N ALA A 67 2.757 -9.063 -3.615 1.00 0.00 N ATOM 1030 CA ALA A 67 1.679 -9.813 -3.072 1.00 0.00 C ATOM 1031 C ALA A 67 1.066 -9.072 -1.926 1.00 0.00 C ATOM 1032 O ALA A 67 1.706 -8.217 -1.303 1.00 0.00 O ATOM 1033 CB ALA A 67 2.137 -11.174 -2.616 1.00 0.00 C ATOM 0 H ALA A 67 3.163 -8.388 -2.968 1.00 0.00 H new ATOM 0 HA ALA A 67 0.934 -9.950 -3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.290 -11.724 -2.205 1.00 0.00 H new ATOM 0 HB2 ALA A 67 2.549 -11.722 -3.463 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.903 -11.062 -1.849 1.00 0.00 H new ATOM 1039 N LEU A 68 -0.158 -9.390 -1.680 1.00 0.00 N ATOM 1040 CA LEU A 68 -0.920 -8.822 -0.614 1.00 0.00 C ATOM 1041 C LEU A 68 -0.642 -9.624 0.641 1.00 0.00 C ATOM 1042 O LEU A 68 -0.614 -10.839 0.585 1.00 0.00 O ATOM 1043 CB LEU A 68 -2.399 -8.939 -0.986 1.00 0.00 C ATOM 1044 CG LEU A 68 -2.797 -8.322 -2.340 1.00 0.00 C ATOM 1045 CD1 LEU A 68 -4.225 -8.674 -2.670 1.00 0.00 C ATOM 1046 CD2 LEU A 68 -2.618 -6.801 -2.333 1.00 0.00 C ATOM 0 H LEU A 68 -0.676 -10.074 -2.231 1.00 0.00 H new ATOM 0 HA LEU A 68 -0.660 -7.777 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -2.670 -9.995 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -2.990 -8.464 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.139 -8.735 -3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.496 -8.233 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.329 -9.758 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -4.884 -8.286 -1.893 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.907 -6.396 -3.303 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -3.245 -6.364 -1.556 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.574 -6.558 -2.135 1.00 0.00 H new ATOM 1058 N GLN A 69 -0.386 -8.976 1.727 1.00 0.00 N ATOM 1059 CA GLN A 69 -0.137 -9.664 2.977 1.00 0.00 C ATOM 1060 C GLN A 69 -1.192 -9.252 3.984 1.00 0.00 C ATOM 1061 O GLN A 69 -1.733 -8.138 3.911 1.00 0.00 O ATOM 1062 CB GLN A 69 1.256 -9.303 3.532 1.00 0.00 C ATOM 1063 CG GLN A 69 1.655 -10.097 4.770 1.00 0.00 C ATOM 1064 CD GLN A 69 2.846 -9.530 5.505 1.00 0.00 C ATOM 1065 OE1 GLN A 69 3.076 -8.325 5.526 1.00 0.00 O ATOM 1066 NE2 GLN A 69 3.618 -10.391 6.097 1.00 0.00 N ATOM 0 H GLN A 69 -0.340 -7.959 1.788 1.00 0.00 H new ATOM 0 HA GLN A 69 -0.175 -10.739 2.800 1.00 0.00 H new ATOM 0 HB2 GLN A 69 2.000 -9.467 2.752 1.00 0.00 H new ATOM 0 HB3 GLN A 69 1.276 -8.240 3.773 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.806 -10.138 5.452 1.00 0.00 H new ATOM 0 HG3 GLN A 69 1.877 -11.123 4.475 1.00 0.00 H new ATOM 0 HE21 GLN A 69 3.396 -11.386 6.059 1.00 0.00 H new ATOM 0 HE22 GLN A 69 4.446 -10.072 6.600 1.00 0.00 H new ATOM 1075 N ASN A 70 -1.515 -10.155 4.870 1.00 0.00 N ATOM 1076 CA ASN A 70 -2.411 -9.896 5.961 1.00 0.00 C ATOM 1077 C ASN A 70 -1.635 -9.198 7.064 1.00 0.00 C ATOM 1078 O ASN A 70 -0.563 -9.662 7.445 1.00 0.00 O ATOM 1079 CB ASN A 70 -2.959 -11.199 6.525 1.00 0.00 C ATOM 1080 CG ASN A 70 -4.001 -10.958 7.609 1.00 0.00 C ATOM 1081 OD1 ASN A 70 -3.672 -10.807 8.780 1.00 0.00 O ATOM 1082 ND2 ASN A 70 -5.240 -10.926 7.234 1.00 0.00 N ATOM 0 H ASN A 70 -1.155 -11.109 4.852 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.237 -9.281 5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -3.402 -11.784 5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -2.140 -11.790 6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.977 -10.771 7.922 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -5.479 -11.055 6.251 1.00 0.00 H new ATOM 1089 N PRO A 71 -2.162 -8.107 7.602 1.00 0.00 N ATOM 1090 CA PRO A 71 -1.488 -7.340 8.648 1.00 0.00 C ATOM 1091 C PRO A 71 -1.331 -8.073 9.987 1.00 0.00 C ATOM 1092 O PRO A 71 -0.397 -7.780 10.747 1.00 0.00 O ATOM 1093 CB PRO A 71 -2.384 -6.129 8.836 1.00 0.00 C ATOM 1094 CG PRO A 71 -3.721 -6.539 8.328 1.00 0.00 C ATOM 1095 CD PRO A 71 -3.456 -7.498 7.216 1.00 0.00 C ATOM 0 HA PRO A 71 -0.464 -7.119 8.345 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -2.435 -5.838 9.885 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -2.002 -5.269 8.285 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -4.312 -7.007 9.115 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -4.286 -5.677 7.975 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.245 -8.246 7.131 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -3.392 -6.992 6.253 1.00 0.00 H new ATOM 1103 N PHE A 72 -2.193 -9.024 10.281 1.00 0.00 N ATOM 1104 CA PHE A 72 -2.150 -9.637 11.576 1.00 0.00 C ATOM 1105 C PHE A 72 -1.476 -10.971 11.573 1.00 0.00 C ATOM 1106 O PHE A 72 -0.661 -11.267 12.443 1.00 0.00 O ATOM 1107 CB PHE A 72 -3.531 -9.767 12.209 1.00 0.00 C ATOM 1108 CG PHE A 72 -4.220 -8.450 12.429 1.00 0.00 C ATOM 1109 CD1 PHE A 72 -4.005 -7.727 13.583 1.00 0.00 C ATOM 1110 CD2 PHE A 72 -5.079 -7.935 11.473 1.00 0.00 C ATOM 1111 CE1 PHE A 72 -4.633 -6.515 13.782 1.00 0.00 C ATOM 1112 CE2 PHE A 72 -5.708 -6.726 11.663 1.00 0.00 C ATOM 1113 CZ PHE A 72 -5.486 -6.013 12.820 1.00 0.00 C ATOM 0 H PHE A 72 -2.914 -9.378 9.652 1.00 0.00 H new ATOM 0 HA PHE A 72 -1.551 -8.957 12.182 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -4.156 -10.392 11.571 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -3.436 -10.282 13.165 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -3.338 -8.114 14.339 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -5.258 -8.491 10.564 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -4.457 -5.959 14.691 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -6.374 -6.337 10.907 1.00 0.00 H new ATOM 0 HZ PHE A 72 -5.978 -5.064 12.974 1.00 0.00 H new ATOM 1123 N THR A 73 -1.799 -11.757 10.606 1.00 0.00 N ATOM 1124 CA THR A 73 -1.310 -13.119 10.519 1.00 0.00 C ATOM 1125 C THR A 73 0.008 -13.170 9.765 1.00 0.00 C ATOM 1126 O THR A 73 0.768 -14.142 9.882 1.00 0.00 O ATOM 1127 CB THR A 73 -2.336 -13.995 9.812 1.00 0.00 C ATOM 1128 OG1 THR A 73 -2.425 -13.594 8.435 1.00 0.00 O ATOM 1129 CG2 THR A 73 -3.704 -13.839 10.454 1.00 0.00 C ATOM 0 H THR A 73 -2.414 -11.486 9.839 1.00 0.00 H new ATOM 0 HA THR A 73 -1.149 -13.491 11.531 1.00 0.00 H new ATOM 0 HB THR A 73 -2.022 -15.036 9.890 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.083 -14.155 7.973 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.424 -14.472 9.935 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.650 -14.134 11.502 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.021 -12.798 10.386 1.00 0.00 H new ATOM 1137 N LEU A 74 0.264 -12.119 8.985 1.00 0.00 N ATOM 1138 CA LEU A 74 1.463 -11.979 8.160 1.00 0.00 C ATOM 1139 C LEU A 74 1.466 -12.956 7.001 1.00 0.00 C ATOM 1140 O LEU A 74 2.502 -13.167 6.350 1.00 0.00 O ATOM 1141 CB LEU A 74 2.759 -12.078 8.975 1.00 0.00 C ATOM 1142 CG LEU A 74 2.893 -11.120 10.128 1.00 0.00 C ATOM 1143 CD1 LEU A 74 4.333 -10.970 10.517 1.00 0.00 C ATOM 1144 CD2 LEU A 74 2.238 -9.785 9.848 1.00 0.00 C ATOM 0 H LEU A 74 -0.371 -11.324 8.908 1.00 0.00 H new ATOM 0 HA LEU A 74 1.430 -10.971 7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.844 -13.094 9.362 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.601 -11.922 8.300 1.00 0.00 H new ATOM 0 HG LEU A 74 2.355 -11.544 10.976 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.414 -10.274 11.352 1.00 0.00 H new ATOM 0 HD12 LEU A 74 4.733 -11.940 10.813 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.901 -10.587 9.669 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.363 -9.130 10.711 1.00 0.00 H new ATOM 0 HD22 LEU A 74 2.703 -9.327 8.975 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.175 -9.934 9.657 1.00 0.00 H new ATOM 1156 N ALA A 75 0.300 -13.511 6.714 1.00 0.00 N ATOM 1157 CA ALA A 75 0.161 -14.430 5.628 1.00 0.00 C ATOM 1158 C ALA A 75 0.069 -13.683 4.331 1.00 0.00 C ATOM 1159 O ALA A 75 -0.594 -12.654 4.249 1.00 0.00 O ATOM 1160 CB ALA A 75 -1.073 -15.284 5.808 1.00 0.00 C ATOM 0 H ALA A 75 -0.561 -13.331 7.230 1.00 0.00 H new ATOM 0 HA ALA A 75 1.038 -15.077 5.612 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.161 -15.977 4.971 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -0.994 -15.847 6.738 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -1.955 -14.645 5.845 1.00 0.00 H new ATOM 1166 N TYR A 76 0.735 -14.176 3.349 1.00 0.00 N ATOM 1167 CA TYR A 76 0.703 -13.593 2.042 1.00 0.00 C ATOM 1168 C TYR A 76 -0.360 -14.240 1.212 1.00 0.00 C ATOM 1169 O TYR A 76 -0.694 -15.412 1.415 1.00 0.00 O ATOM 1170 CB TYR A 76 2.030 -13.760 1.337 1.00 0.00 C ATOM 1171 CG TYR A 76 3.048 -12.695 1.607 1.00 0.00 C ATOM 1172 CD1 TYR A 76 3.503 -12.421 2.872 1.00 0.00 C ATOM 1173 CD2 TYR A 76 3.593 -12.012 0.557 1.00 0.00 C ATOM 1174 CE1 TYR A 76 4.494 -11.484 3.080 1.00 0.00 C ATOM 1175 CE2 TYR A 76 4.568 -11.065 0.738 1.00 0.00 C ATOM 1176 CZ TYR A 76 5.024 -10.805 2.003 1.00 0.00 C ATOM 1177 OH TYR A 76 6.024 -9.887 2.191 1.00 0.00 O ATOM 0 H TYR A 76 1.326 -15.004 3.424 1.00 0.00 H new ATOM 0 HA TYR A 76 0.491 -12.531 2.163 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.454 -14.723 1.623 1.00 0.00 H new ATOM 0 HB3 TYR A 76 1.848 -13.798 0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 76 3.080 -12.946 3.716 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.246 -12.224 -0.444 1.00 0.00 H new ATOM 0 HE1 TYR A 76 4.852 -11.284 4.079 1.00 0.00 H new ATOM 0 HE2 TYR A 76 4.972 -10.530 -0.108 1.00 0.00 H new ATOM 0 HH TYR A 76 6.282 -9.503 1.327 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.872 -13.511 0.291 1.00 0.00 N ATOM 1188 CA VAL A 77 -1.815 -14.022 -0.647 1.00 0.00 C ATOM 1189 C VAL A 77 -1.023 -14.480 -1.846 1.00 0.00 C ATOM 1190 O VAL A 77 -0.514 -13.673 -2.638 1.00 0.00 O ATOM 1191 CB VAL A 77 -2.872 -12.949 -1.056 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -3.813 -13.492 -2.127 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -3.674 -12.504 0.169 1.00 0.00 C ATOM 0 H VAL A 77 -0.647 -12.525 0.161 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.379 -14.844 -0.206 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.343 -12.090 -1.468 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.540 -12.726 -2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -3.237 -13.771 -3.010 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.335 -14.368 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.408 -11.755 -0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.187 -13.364 0.600 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.999 -12.075 0.910 1.00 0.00 H new ATOM 1203 N GLU A 78 -0.868 -15.766 -1.940 1.00 0.00 N ATOM 1204 CA GLU A 78 -0.054 -16.382 -2.955 1.00 0.00 C ATOM 1205 C GLU A 78 -0.922 -17.019 -3.996 1.00 0.00 C ATOM 1206 O GLU A 78 -0.463 -17.750 -4.879 1.00 0.00 O ATOM 1207 CB GLU A 78 0.826 -17.380 -2.298 1.00 0.00 C ATOM 1208 CG GLU A 78 1.759 -16.731 -1.293 1.00 0.00 C ATOM 1209 CD GLU A 78 2.742 -17.675 -0.722 1.00 0.00 C ATOM 1210 OE1 GLU A 78 3.721 -17.984 -1.405 1.00 0.00 O ATOM 1211 OE2 GLU A 78 2.564 -18.121 0.428 1.00 0.00 O ATOM 0 H GLU A 78 -1.309 -16.432 -1.305 1.00 0.00 H new ATOM 0 HA GLU A 78 0.561 -15.636 -3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.214 -18.129 -1.795 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.412 -17.902 -3.054 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.290 -15.911 -1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.169 -16.297 -0.486 1.00 0.00 H new ATOM 1218 N ASP A 79 -2.175 -16.697 -3.884 1.00 0.00 N ATOM 1219 CA ASP A 79 -3.213 -17.151 -4.725 1.00 0.00 C ATOM 1220 C ASP A 79 -3.198 -16.439 -6.019 1.00 0.00 C ATOM 1221 O ASP A 79 -2.651 -15.345 -6.150 1.00 0.00 O ATOM 1222 CB ASP A 79 -4.567 -16.860 -4.076 1.00 0.00 C ATOM 1223 CG ASP A 79 -4.716 -17.502 -2.731 1.00 0.00 C ATOM 1224 OD1 ASP A 79 -4.824 -18.738 -2.659 1.00 0.00 O ATOM 1225 OD2 ASP A 79 -4.744 -16.785 -1.722 1.00 0.00 O ATOM 0 H ASP A 79 -2.509 -16.070 -3.152 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.063 -18.219 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.692 -15.782 -3.975 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.363 -17.213 -4.732 1.00 0.00 H new ATOM 1230 N SER A 80 -3.805 -17.055 -6.966 1.00 0.00 N ATOM 1231 CA SER A 80 -3.962 -16.519 -8.257 1.00 0.00 C ATOM 1232 C SER A 80 -5.150 -15.584 -8.291 1.00 0.00 C ATOM 1233 O SER A 80 -5.123 -14.519 -8.925 1.00 0.00 O ATOM 1234 CB SER A 80 -4.162 -17.644 -9.199 1.00 0.00 C ATOM 1235 OG SER A 80 -3.037 -18.518 -9.196 1.00 0.00 O ATOM 0 H SER A 80 -4.220 -17.980 -6.854 1.00 0.00 H new ATOM 0 HA SER A 80 -3.078 -15.948 -8.540 1.00 0.00 H new ATOM 0 HB2 SER A 80 -5.059 -18.199 -8.923 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.323 -17.257 -10.205 1.00 0.00 H new ATOM 0 HG SER A 80 -3.193 -19.254 -9.824 1.00 0.00 H new ATOM 1241 N PHE A 81 -6.182 -15.968 -7.599 1.00 0.00 N ATOM 1242 CA PHE A 81 -7.370 -15.220 -7.507 1.00 0.00 C ATOM 1243 C PHE A 81 -7.760 -15.050 -6.050 1.00 0.00 C ATOM 1244 O PHE A 81 -7.372 -15.835 -5.179 1.00 0.00 O ATOM 1245 CB PHE A 81 -8.475 -15.897 -8.259 1.00 0.00 C ATOM 1246 CG PHE A 81 -8.315 -15.930 -9.747 1.00 0.00 C ATOM 1247 CD1 PHE A 81 -7.558 -16.917 -10.344 1.00 0.00 C ATOM 1248 CD2 PHE A 81 -8.916 -14.976 -10.544 1.00 0.00 C ATOM 1249 CE1 PHE A 81 -7.400 -16.958 -11.713 1.00 0.00 C ATOM 1250 CE2 PHE A 81 -8.764 -15.008 -11.915 1.00 0.00 C ATOM 1251 CZ PHE A 81 -8.005 -16.001 -12.500 1.00 0.00 C ATOM 0 H PHE A 81 -6.206 -16.841 -7.071 1.00 0.00 H new ATOM 0 HA PHE A 81 -7.201 -14.238 -7.949 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -8.563 -16.922 -7.898 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -9.413 -15.394 -8.023 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.083 -17.668 -9.730 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -9.511 -14.197 -10.090 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.805 -17.736 -12.167 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -9.238 -14.257 -12.529 1.00 0.00 H new ATOM 0 HZ PHE A 81 -7.885 -16.029 -13.573 1.00 0.00 H new ATOM 1261 N LEU A 82 -8.507 -14.024 -5.809 1.00 0.00 N ATOM 1262 CA LEU A 82 -8.991 -13.684 -4.502 1.00 0.00 C ATOM 1263 C LEU A 82 -10.331 -14.279 -4.285 1.00 0.00 C ATOM 1264 O LEU A 82 -11.132 -14.374 -5.211 1.00 0.00 O ATOM 1265 CB LEU A 82 -9.099 -12.179 -4.388 1.00 0.00 C ATOM 1266 CG LEU A 82 -7.796 -11.487 -4.036 1.00 0.00 C ATOM 1267 CD1 LEU A 82 -7.981 -9.989 -3.927 1.00 0.00 C ATOM 1268 CD2 LEU A 82 -7.241 -12.070 -2.733 1.00 0.00 C ATOM 0 H LEU A 82 -8.810 -13.376 -6.536 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.299 -14.070 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.466 -11.780 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -9.843 -11.936 -3.629 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.078 -11.664 -4.837 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.029 -9.522 -3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -8.336 -9.596 -4.880 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -8.712 -9.768 -3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.305 -11.572 -2.481 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.961 -11.916 -1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.061 -13.138 -2.860 1.00 0.00 H new ATOM 1280 N THR A 83 -10.575 -14.690 -3.098 1.00 0.00 N ATOM 1281 CA THR A 83 -11.851 -15.183 -2.759 1.00 0.00 C ATOM 1282 C THR A 83 -12.653 -14.018 -2.190 1.00 0.00 C ATOM 1283 O THR A 83 -12.054 -13.055 -1.682 1.00 0.00 O ATOM 1284 CB THR A 83 -11.753 -16.324 -1.714 1.00 0.00 C ATOM 1285 OG1 THR A 83 -11.160 -15.835 -0.506 1.00 0.00 O ATOM 1286 CG2 THR A 83 -10.906 -17.459 -2.245 1.00 0.00 C ATOM 0 H THR A 83 -9.896 -14.694 -2.337 1.00 0.00 H new ATOM 0 HA THR A 83 -12.336 -15.597 -3.643 1.00 0.00 H new ATOM 0 HB THR A 83 -12.761 -16.686 -1.513 1.00 0.00 H new ATOM 0 HG1 THR A 83 -10.957 -16.588 0.087 1.00 0.00 H new ATOM 0 HG21 THR A 83 -10.849 -18.251 -1.498 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.355 -17.853 -3.157 1.00 0.00 H new ATOM 0 HG23 THR A 83 -9.903 -17.093 -2.464 1.00 0.00 H new ATOM 1294 N PRO A 84 -13.995 -14.043 -2.282 1.00 0.00 N ATOM 1295 CA PRO A 84 -14.837 -13.011 -1.655 1.00 0.00 C ATOM 1296 C PRO A 84 -14.557 -12.980 -0.156 1.00 0.00 C ATOM 1297 O PRO A 84 -14.607 -11.931 0.485 1.00 0.00 O ATOM 1298 CB PRO A 84 -16.261 -13.494 -1.935 1.00 0.00 C ATOM 1299 CG PRO A 84 -16.138 -14.387 -3.121 1.00 0.00 C ATOM 1300 CD PRO A 84 -14.797 -15.044 -3.012 1.00 0.00 C ATOM 0 HA PRO A 84 -14.660 -12.004 -2.033 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -16.672 -14.029 -1.079 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -16.929 -12.657 -2.138 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -16.936 -15.130 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -16.218 -13.818 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -14.853 -15.989 -2.471 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -14.374 -15.263 -3.992 1.00 0.00 H new ATOM 1308 N GLU A 85 -14.233 -14.145 0.370 1.00 0.00 N ATOM 1309 CA GLU A 85 -13.849 -14.320 1.743 1.00 0.00 C ATOM 1310 C GLU A 85 -12.604 -13.506 2.071 1.00 0.00 C ATOM 1311 O GLU A 85 -12.580 -12.810 3.070 1.00 0.00 O ATOM 1312 CB GLU A 85 -13.616 -15.784 2.008 1.00 0.00 C ATOM 1313 CG GLU A 85 -14.806 -16.639 1.643 1.00 0.00 C ATOM 1314 CD GLU A 85 -14.580 -18.083 1.930 1.00 0.00 C ATOM 1315 OE1 GLU A 85 -13.983 -18.781 1.106 1.00 0.00 O ATOM 1316 OE2 GLU A 85 -15.018 -18.557 2.990 1.00 0.00 O ATOM 0 H GLU A 85 -14.232 -15.013 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 85 -14.652 -13.960 2.386 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -12.747 -16.118 1.441 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -13.382 -15.925 3.063 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -15.680 -16.294 2.196 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -15.029 -16.513 0.583 1.00 0.00 H new ATOM 1323 N ARG A 86 -11.584 -13.570 1.197 1.00 0.00 N ATOM 1324 CA ARG A 86 -10.374 -12.793 1.379 1.00 0.00 C ATOM 1325 C ARG A 86 -10.669 -11.333 1.428 1.00 0.00 C ATOM 1326 O ARG A 86 -10.073 -10.607 2.201 1.00 0.00 O ATOM 1327 CB ARG A 86 -9.352 -13.012 0.293 1.00 0.00 C ATOM 1328 CG ARG A 86 -8.609 -14.322 0.287 1.00 0.00 C ATOM 1329 CD ARG A 86 -8.094 -14.707 1.657 1.00 0.00 C ATOM 1330 NE ARG A 86 -7.487 -13.598 2.417 1.00 0.00 N ATOM 1331 CZ ARG A 86 -6.674 -13.804 3.452 1.00 0.00 C ATOM 1332 NH1 ARG A 86 -6.079 -14.981 3.588 1.00 0.00 N ATOM 1333 NH2 ARG A 86 -6.397 -12.813 4.300 1.00 0.00 N ATOM 0 H ARG A 86 -11.586 -14.156 0.362 1.00 0.00 H new ATOM 0 HA ARG A 86 -9.961 -13.140 2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -9.856 -12.907 -0.668 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -8.617 -12.210 0.357 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.268 -15.107 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.771 -14.257 -0.407 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -8.918 -15.120 2.238 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -7.355 -15.500 1.544 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.697 -12.639 2.140 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -6.246 -15.719 2.904 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.455 -15.149 4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -6.808 -11.890 4.158 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.774 -12.977 5.090 1.00 0.00 H new ATOM 1347 N LEU A 87 -11.580 -10.921 0.596 1.00 0.00 N ATOM 1348 CA LEU A 87 -11.970 -9.548 0.481 1.00 0.00 C ATOM 1349 C LEU A 87 -12.606 -9.073 1.766 1.00 0.00 C ATOM 1350 O LEU A 87 -12.279 -8.021 2.273 1.00 0.00 O ATOM 1351 CB LEU A 87 -12.939 -9.406 -0.669 1.00 0.00 C ATOM 1352 CG LEU A 87 -12.460 -9.922 -2.003 1.00 0.00 C ATOM 1353 CD1 LEU A 87 -13.505 -9.650 -3.069 1.00 0.00 C ATOM 1354 CD2 LEU A 87 -11.143 -9.279 -2.356 1.00 0.00 C ATOM 0 H LEU A 87 -12.083 -11.545 -0.035 1.00 0.00 H new ATOM 0 HA LEU A 87 -11.089 -8.935 0.292 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -13.860 -9.928 -0.409 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.190 -8.351 -0.779 1.00 0.00 H new ATOM 0 HG LEU A 87 -12.309 -11.000 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -13.152 -10.026 -4.029 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -14.435 -10.152 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -13.680 -8.577 -3.141 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.801 -9.655 -3.320 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -11.269 -8.198 -2.412 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.405 -9.519 -1.591 1.00 0.00 H new ATOM 1366 N VAL A 88 -13.494 -9.868 2.273 1.00 0.00 N ATOM 1367 CA VAL A 88 -14.147 -9.627 3.501 1.00 0.00 C ATOM 1368 C VAL A 88 -13.217 -9.657 4.698 1.00 0.00 C ATOM 1369 O VAL A 88 -13.262 -8.759 5.563 1.00 0.00 O ATOM 1370 CB VAL A 88 -15.340 -10.556 3.618 1.00 0.00 C ATOM 1371 CG1 VAL A 88 -15.857 -10.509 4.994 1.00 0.00 C ATOM 1372 CG2 VAL A 88 -16.422 -10.256 2.633 1.00 0.00 C ATOM 0 H VAL A 88 -13.789 -10.733 1.819 1.00 0.00 H new ATOM 0 HA VAL A 88 -14.517 -8.602 3.505 1.00 0.00 H new ATOM 0 HB VAL A 88 -14.996 -11.563 3.381 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -16.715 -11.175 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -15.077 -10.826 5.687 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -16.162 -9.490 5.233 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -17.245 -10.957 2.772 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -16.782 -9.239 2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -16.030 -10.353 1.621 1.00 0.00 H new ATOM 1382 N GLU A 89 -12.369 -10.649 4.742 1.00 0.00 N ATOM 1383 CA GLU A 89 -11.331 -10.745 5.750 1.00 0.00 C ATOM 1384 C GLU A 89 -10.383 -9.535 5.685 1.00 0.00 C ATOM 1385 O GLU A 89 -9.795 -9.133 6.683 1.00 0.00 O ATOM 1386 CB GLU A 89 -10.553 -12.018 5.576 1.00 0.00 C ATOM 1387 CG GLU A 89 -11.261 -13.287 5.993 1.00 0.00 C ATOM 1388 CD GLU A 89 -10.398 -14.518 5.812 1.00 0.00 C ATOM 1389 OE1 GLU A 89 -9.395 -14.677 6.550 1.00 0.00 O ATOM 1390 OE2 GLU A 89 -10.726 -15.377 4.971 1.00 0.00 O ATOM 0 H GLU A 89 -12.374 -11.423 4.077 1.00 0.00 H new ATOM 0 HA GLU A 89 -11.811 -10.751 6.729 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -10.273 -12.109 4.527 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -9.628 -11.937 6.147 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -11.559 -13.206 7.038 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -12.175 -13.398 5.409 1.00 0.00 H new ATOM 1397 N ALA A 90 -10.219 -9.001 4.504 1.00 0.00 N ATOM 1398 CA ALA A 90 -9.396 -7.823 4.297 1.00 0.00 C ATOM 1399 C ALA A 90 -10.137 -6.542 4.648 1.00 0.00 C ATOM 1400 O ALA A 90 -9.524 -5.622 5.186 1.00 0.00 O ATOM 1401 CB ALA A 90 -8.865 -7.774 2.896 1.00 0.00 C ATOM 0 H ALA A 90 -10.649 -9.365 3.654 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.548 -7.900 4.977 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.252 -6.881 2.770 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.259 -8.660 2.705 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.697 -7.745 2.192 1.00 0.00 H new ATOM 1407 N GLU A 91 -11.462 -6.474 4.347 1.00 0.00 N ATOM 1408 CA GLU A 91 -12.275 -5.313 4.709 1.00 0.00 C ATOM 1409 C GLU A 91 -12.184 -4.999 6.191 1.00 0.00 C ATOM 1410 O GLU A 91 -12.453 -3.873 6.606 1.00 0.00 O ATOM 1411 CB GLU A 91 -13.714 -5.469 4.380 1.00 0.00 C ATOM 1412 CG GLU A 91 -14.124 -5.423 2.942 1.00 0.00 C ATOM 1413 CD GLU A 91 -15.615 -5.238 2.849 1.00 0.00 C ATOM 1414 OE1 GLU A 91 -16.385 -6.203 3.118 1.00 0.00 O ATOM 1415 OE2 GLU A 91 -16.062 -4.105 2.551 1.00 0.00 O ATOM 0 H GLU A 91 -11.973 -7.210 3.859 1.00 0.00 H new ATOM 0 HA GLU A 91 -11.860 -4.500 4.113 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -14.047 -6.423 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.262 -4.687 4.907 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -13.613 -4.605 2.434 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.829 -6.344 2.439 1.00 0.00 H new ATOM 1422 N LYS A 92 -11.854 -6.013 6.984 1.00 0.00 N ATOM 1423 CA LYS A 92 -11.649 -5.869 8.402 1.00 0.00 C ATOM 1424 C LYS A 92 -10.678 -4.731 8.690 1.00 0.00 C ATOM 1425 O LYS A 92 -10.904 -3.911 9.581 1.00 0.00 O ATOM 1426 CB LYS A 92 -11.073 -7.154 8.974 1.00 0.00 C ATOM 1427 CG LYS A 92 -11.945 -8.380 8.792 1.00 0.00 C ATOM 1428 CD LYS A 92 -13.265 -8.286 9.520 1.00 0.00 C ATOM 1429 CE LYS A 92 -14.072 -9.561 9.327 1.00 0.00 C ATOM 1430 NZ LYS A 92 -13.453 -10.710 10.016 1.00 0.00 N ATOM 0 H LYS A 92 -11.722 -6.966 6.646 1.00 0.00 H new ATOM 0 HA LYS A 92 -12.612 -5.650 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -10.106 -7.341 8.507 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -10.890 -7.011 10.039 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -12.134 -8.529 7.729 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -11.404 -9.258 9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -13.090 -8.117 10.582 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -13.831 -7.431 9.150 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -15.083 -9.412 9.705 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -14.159 -9.779 8.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -14.135 -11.493 10.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -12.610 -11.018 9.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -13.177 -10.430 10.979 1.00 0.00 H new ATOM 1444 N SER A 93 -9.608 -4.683 7.924 1.00 0.00 N ATOM 1445 CA SER A 93 -8.594 -3.700 8.118 1.00 0.00 C ATOM 1446 C SER A 93 -7.986 -3.172 6.794 1.00 0.00 C ATOM 1447 O SER A 93 -8.468 -2.181 6.228 1.00 0.00 O ATOM 1448 CB SER A 93 -7.545 -4.240 9.054 1.00 0.00 C ATOM 1449 OG SER A 93 -8.133 -4.678 10.281 1.00 0.00 O ATOM 0 H SER A 93 -9.428 -5.328 7.155 1.00 0.00 H new ATOM 0 HA SER A 93 -9.060 -2.826 8.574 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.022 -5.070 8.580 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.802 -3.469 9.257 1.00 0.00 H new ATOM 0 HG SER A 93 -7.487 -4.571 11.010 1.00 0.00 H new ATOM 1455 N TYR A 94 -6.982 -3.860 6.295 1.00 0.00 N ATOM 1456 CA TYR A 94 -6.260 -3.487 5.085 1.00 0.00 C ATOM 1457 C TYR A 94 -5.580 -4.733 4.490 1.00 0.00 C ATOM 1458 O TYR A 94 -5.670 -5.837 5.049 1.00 0.00 O ATOM 1459 CB TYR A 94 -5.092 -2.476 5.343 1.00 0.00 C ATOM 1460 CG TYR A 94 -4.104 -2.667 6.457 1.00 0.00 C ATOM 1461 CD1 TYR A 94 -4.529 -2.777 7.751 1.00 0.00 C ATOM 1462 CD2 TYR A 94 -2.738 -2.640 6.211 1.00 0.00 C ATOM 1463 CE1 TYR A 94 -3.642 -2.869 8.799 1.00 0.00 C ATOM 1464 CE2 TYR A 94 -1.834 -2.716 7.238 1.00 0.00 C ATOM 1465 CZ TYR A 94 -2.289 -2.832 8.543 1.00 0.00 C ATOM 1466 OH TYR A 94 -1.384 -2.916 9.599 1.00 0.00 O ATOM 0 H TYR A 94 -6.632 -4.716 6.726 1.00 0.00 H new ATOM 0 HA TYR A 94 -7.005 -3.035 4.430 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.516 -2.419 4.419 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.550 -1.499 5.494 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -5.589 -2.792 7.957 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.382 -2.558 5.195 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.003 -2.969 9.812 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -0.774 -2.686 7.033 1.00 0.00 H new ATOM 0 HH TYR A 94 -0.469 -2.877 9.250 1.00 0.00 H new ATOM 1476 N PHE A 95 -4.877 -4.511 3.401 1.00 0.00 N ATOM 1477 CA PHE A 95 -3.974 -5.463 2.764 1.00 0.00 C ATOM 1478 C PHE A 95 -2.620 -4.811 2.743 1.00 0.00 C ATOM 1479 O PHE A 95 -2.546 -3.599 2.669 1.00 0.00 O ATOM 1480 CB PHE A 95 -4.347 -5.756 1.299 1.00 0.00 C ATOM 1481 CG PHE A 95 -5.233 -6.940 1.042 1.00 0.00 C ATOM 1482 CD1 PHE A 95 -4.913 -8.187 1.562 1.00 0.00 C ATOM 1483 CD2 PHE A 95 -6.344 -6.824 0.222 1.00 0.00 C ATOM 1484 CE1 PHE A 95 -5.691 -9.294 1.272 1.00 0.00 C ATOM 1485 CE2 PHE A 95 -7.130 -7.924 -0.066 1.00 0.00 C ATOM 1486 CZ PHE A 95 -6.804 -9.162 0.457 1.00 0.00 C ATOM 0 H PHE A 95 -4.917 -3.620 2.906 1.00 0.00 H new ATOM 0 HA PHE A 95 -4.015 -6.401 3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -4.837 -4.872 0.892 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -3.424 -5.896 0.737 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -4.048 -8.294 2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -6.599 -5.862 -0.197 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -5.431 -10.260 1.680 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -7.998 -7.817 -0.699 1.00 0.00 H new ATOM 0 HZ PHE A 95 -7.415 -10.023 0.231 1.00 0.00 H new ATOM 1496 N ILE A 96 -1.568 -5.562 2.831 1.00 0.00 N ATOM 1497 CA ILE A 96 -0.249 -4.973 2.734 1.00 0.00 C ATOM 1498 C ILE A 96 0.441 -5.481 1.461 1.00 0.00 C ATOM 1499 O ILE A 96 0.904 -6.606 1.409 1.00 0.00 O ATOM 1500 CB ILE A 96 0.624 -5.262 3.948 1.00 0.00 C ATOM 1501 CG1 ILE A 96 -0.138 -4.944 5.223 1.00 0.00 C ATOM 1502 CG2 ILE A 96 1.874 -4.404 3.872 1.00 0.00 C ATOM 1503 CD1 ILE A 96 0.673 -5.122 6.469 1.00 0.00 C ATOM 0 H ILE A 96 -1.584 -6.573 2.968 1.00 0.00 H new ATOM 0 HA ILE A 96 -0.379 -3.892 2.694 1.00 0.00 H new ATOM 0 HB ILE A 96 0.899 -6.317 3.957 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -0.494 -3.915 5.176 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.019 -5.584 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 96 2.506 -4.604 4.737 1.00 0.00 H new ATOM 0 HG22 ILE A 96 2.422 -4.640 2.960 1.00 0.00 H new ATOM 0 HG23 ILE A 96 1.593 -3.351 3.864 1.00 0.00 H new ATOM 0 HD11 ILE A 96 0.063 -4.877 7.338 1.00 0.00 H new ATOM 0 HD12 ILE A 96 1.007 -6.157 6.541 1.00 0.00 H new ATOM 0 HD13 ILE A 96 1.540 -4.462 6.436 1.00 0.00 H new ATOM 1515 N LEU A 97 0.429 -4.668 0.439 1.00 0.00 N ATOM 1516 CA LEU A 97 1.022 -4.990 -0.843 1.00 0.00 C ATOM 1517 C LEU A 97 2.525 -4.790 -0.738 1.00 0.00 C ATOM 1518 O LEU A 97 3.037 -3.667 -0.697 1.00 0.00 O ATOM 1519 CB LEU A 97 0.368 -4.082 -1.918 1.00 0.00 C ATOM 1520 CG LEU A 97 0.518 -4.425 -3.419 1.00 0.00 C ATOM 1521 CD1 LEU A 97 1.512 -3.532 -4.092 1.00 0.00 C ATOM 1522 CD2 LEU A 97 0.868 -5.882 -3.642 1.00 0.00 C ATOM 0 H LEU A 97 -0.000 -3.743 0.469 1.00 0.00 H new ATOM 0 HA LEU A 97 0.847 -6.027 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -0.699 -4.040 -1.701 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.762 -3.076 -1.775 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.457 -4.250 -3.875 1.00 0.00 H new ATOM 0 HD11 LEU A 97 1.590 -3.803 -5.145 1.00 0.00 H new ATOM 0 HD12 LEU A 97 1.186 -2.495 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 97 2.485 -3.646 -3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 97 0.963 -6.074 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.812 -6.109 -3.148 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.081 -6.513 -3.228 1.00 0.00 H new ATOM 1534 N ARG A 98 3.213 -5.893 -0.637 1.00 0.00 N ATOM 1535 CA ARG A 98 4.625 -5.895 -0.383 1.00 0.00 C ATOM 1536 C ARG A 98 5.342 -6.615 -1.450 1.00 0.00 C ATOM 1537 O ARG A 98 4.741 -7.407 -2.196 1.00 0.00 O ATOM 1538 CB ARG A 98 4.929 -6.675 0.872 1.00 0.00 C ATOM 1539 CG ARG A 98 4.281 -6.198 2.115 1.00 0.00 C ATOM 1540 CD ARG A 98 4.730 -7.040 3.275 1.00 0.00 C ATOM 1541 NE ARG A 98 6.184 -6.941 3.489 1.00 0.00 N ATOM 1542 CZ ARG A 98 6.786 -7.170 4.657 1.00 0.00 C ATOM 1543 NH1 ARG A 98 6.059 -7.516 5.720 1.00 0.00 N ATOM 1544 NH2 ARG A 98 8.115 -7.052 4.763 1.00 0.00 N ATOM 0 H ARG A 98 2.805 -6.823 -0.730 1.00 0.00 H new ATOM 0 HA ARG A 98 4.933 -4.852 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 98 4.635 -7.712 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 98 6.008 -6.669 1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 98 4.536 -5.153 2.292 1.00 0.00 H new ATOM 0 HG3 ARG A 98 3.197 -6.249 2.014 1.00 0.00 H new ATOM 0 HD2 ARG A 98 4.207 -6.725 4.178 1.00 0.00 H new ATOM 0 HD3 ARG A 98 4.458 -8.080 3.096 1.00 0.00 H new ATOM 0 HE ARG A 98 6.767 -6.681 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.046 -7.605 5.638 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.516 -7.692 6.615 1.00 0.00 H new ATOM 0 HH21 ARG A 98 8.670 -6.786 3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 98 8.573 -7.228 5.657 1.00 0.00 H new ATOM 1558 N MET A 99 6.624 -6.373 -1.522 1.00 0.00 N ATOM 1559 CA MET A 99 7.446 -7.158 -2.336 1.00 0.00 C ATOM 1560 C MET A 99 7.728 -8.431 -1.584 1.00 0.00 C ATOM 1561 O MET A 99 8.088 -8.395 -0.397 1.00 0.00 O ATOM 1562 CB MET A 99 8.762 -6.482 -2.689 1.00 0.00 C ATOM 1563 CG MET A 99 8.610 -5.219 -3.466 1.00 0.00 C ATOM 1564 SD MET A 99 10.095 -4.720 -4.357 1.00 0.00 S ATOM 1565 CE MET A 99 10.153 -5.992 -5.636 1.00 0.00 C ATOM 0 H MET A 99 7.103 -5.629 -1.015 1.00 0.00 H new ATOM 0 HA MET A 99 6.930 -7.336 -3.280 1.00 0.00 H new ATOM 0 HB2 MET A 99 9.305 -6.266 -1.769 1.00 0.00 H new ATOM 0 HB3 MET A 99 9.373 -7.178 -3.264 1.00 0.00 H new ATOM 0 HG2 MET A 99 7.795 -5.340 -4.179 1.00 0.00 H new ATOM 0 HG3 MET A 99 8.322 -4.418 -2.785 1.00 0.00 H new ATOM 0 HE1 MET A 99 10.759 -5.641 -6.471 1.00 0.00 H new ATOM 0 HE2 MET A 99 10.593 -6.901 -5.226 1.00 0.00 H new ATOM 0 HE3 MET A 99 9.142 -6.204 -5.985 1.00 0.00 H new ATOM 1575 N LYS A 100 7.513 -9.517 -2.228 1.00 0.00 N ATOM 1576 CA LYS A 100 7.754 -10.809 -1.680 1.00 0.00 C ATOM 1577 C LYS A 100 9.229 -11.035 -1.524 1.00 0.00 C ATOM 1578 O LYS A 100 9.998 -10.636 -2.403 1.00 0.00 O ATOM 1579 CB LYS A 100 7.143 -11.887 -2.562 1.00 0.00 C ATOM 1580 CG LYS A 100 5.640 -12.013 -2.416 1.00 0.00 C ATOM 1581 CD LYS A 100 5.040 -13.093 -3.309 1.00 0.00 C ATOM 1582 CE LYS A 100 5.074 -12.704 -4.773 1.00 0.00 C ATOM 1583 NZ LYS A 100 4.375 -13.688 -5.633 1.00 0.00 N ATOM 0 H LYS A 100 7.153 -9.538 -3.182 1.00 0.00 H new ATOM 0 HA LYS A 100 7.284 -10.864 -0.698 1.00 0.00 H new ATOM 0 HB2 LYS A 100 7.381 -11.670 -3.603 1.00 0.00 H new ATOM 0 HB3 LYS A 100 7.604 -12.845 -2.322 1.00 0.00 H new ATOM 0 HG2 LYS A 100 5.399 -12.235 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 100 5.177 -11.055 -2.653 1.00 0.00 H new ATOM 0 HD2 LYS A 100 5.588 -14.025 -3.169 1.00 0.00 H new ATOM 0 HD3 LYS A 100 4.009 -13.281 -3.008 1.00 0.00 H new ATOM 0 HE2 LYS A 100 4.613 -11.724 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 100 6.110 -12.612 -5.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 4.608 -13.505 -6.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 4.678 -14.649 -5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 3.348 -13.601 -5.496 1.00 0.00 H new ATOM 1597 N PRO A 101 9.650 -11.590 -0.361 1.00 0.00 N ATOM 1598 CA PRO A 101 11.043 -11.948 -0.103 1.00 0.00 C ATOM 1599 C PRO A 101 11.605 -12.743 -1.255 1.00 0.00 C ATOM 1600 O PRO A 101 11.220 -13.899 -1.497 1.00 0.00 O ATOM 1601 CB PRO A 101 10.957 -12.793 1.159 1.00 0.00 C ATOM 1602 CG PRO A 101 9.801 -12.208 1.876 1.00 0.00 C ATOM 1603 CD PRO A 101 8.799 -11.879 0.811 1.00 0.00 C ATOM 0 HA PRO A 101 11.699 -11.085 0.011 1.00 0.00 H new ATOM 0 HB2 PRO A 101 10.798 -13.846 0.929 1.00 0.00 H new ATOM 0 HB3 PRO A 101 11.871 -12.730 1.749 1.00 0.00 H new ATOM 0 HG2 PRO A 101 9.389 -12.912 2.599 1.00 0.00 H new ATOM 0 HG3 PRO A 101 10.093 -11.316 2.430 1.00 0.00 H new ATOM 0 HD2 PRO A 101 8.121 -12.711 0.623 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.184 -11.022 1.085 1.00 0.00 H new ATOM 1611 N HIS A 102 12.457 -12.099 -1.978 1.00 0.00 N ATOM 1612 CA HIS A 102 13.006 -12.616 -3.171 1.00 0.00 C ATOM 1613 C HIS A 102 14.481 -12.804 -3.007 1.00 0.00 C ATOM 1614 O HIS A 102 15.186 -11.905 -2.543 1.00 0.00 O ATOM 1615 CB HIS A 102 12.693 -11.667 -4.337 1.00 0.00 C ATOM 1616 CG HIS A 102 13.170 -12.090 -5.700 1.00 0.00 C ATOM 1617 ND1 HIS A 102 14.194 -11.461 -6.368 1.00 0.00 N ATOM 1618 CD2 HIS A 102 12.706 -13.032 -6.544 1.00 0.00 C ATOM 1619 CE1 HIS A 102 14.332 -11.993 -7.561 1.00 0.00 C ATOM 1620 NE2 HIS A 102 13.444 -12.948 -7.692 1.00 0.00 N ATOM 0 H HIS A 102 12.798 -11.167 -1.741 1.00 0.00 H new ATOM 0 HA HIS A 102 12.562 -13.586 -3.392 1.00 0.00 H new ATOM 0 HB2 HIS A 102 11.613 -11.529 -4.382 1.00 0.00 H new ATOM 0 HB3 HIS A 102 13.130 -10.694 -4.111 1.00 0.00 H new ATOM 0 HD2 HIS A 102 11.901 -13.725 -6.350 1.00 0.00 H new ATOM 0 HE1 HIS A 102 15.054 -11.694 -8.307 1.00 0.00 H new ATOM 0 HE2 HIS A 102 13.323 -13.534 -8.518 1.00 0.00 H new ATOM 1629 N ALA A 103 14.935 -13.949 -3.378 1.00 0.00 N ATOM 1630 CA ALA A 103 16.331 -14.287 -3.302 1.00 0.00 C ATOM 1631 C ALA A 103 17.067 -13.667 -4.468 1.00 0.00 C ATOM 1632 O ALA A 103 16.444 -13.322 -5.478 1.00 0.00 O ATOM 1633 CB ALA A 103 16.510 -15.790 -3.306 1.00 0.00 C ATOM 0 H ALA A 103 14.347 -14.695 -3.750 1.00 0.00 H new ATOM 0 HA ALA A 103 16.742 -13.895 -2.372 1.00 0.00 H new ATOM 0 HB1 ALA A 103 17.572 -16.030 -3.248 1.00 0.00 H new ATOM 0 HB2 ALA A 103 15.993 -16.220 -2.448 1.00 0.00 H new ATOM 0 HB3 ALA A 103 16.094 -16.204 -4.225 1.00 0.00 H new ATOM 1639 N ILE A 104 18.365 -13.504 -4.340 1.00 0.00 N ATOM 1640 CA ILE A 104 19.138 -12.954 -5.373 1.00 0.00 C ATOM 1641 C ILE A 104 19.269 -13.953 -6.500 1.00 0.00 C ATOM 1642 O ILE A 104 19.773 -15.067 -6.304 1.00 0.00 O ATOM 1643 CB ILE A 104 20.514 -12.564 -4.872 1.00 0.00 C ATOM 1644 CG1 ILE A 104 20.442 -11.492 -3.775 1.00 0.00 C ATOM 1645 CG2 ILE A 104 21.396 -12.134 -6.011 1.00 0.00 C ATOM 1646 CD1 ILE A 104 21.796 -11.025 -3.278 1.00 0.00 C ATOM 0 H ILE A 104 18.893 -13.757 -3.505 1.00 0.00 H new ATOM 0 HA ILE A 104 18.638 -12.056 -5.736 1.00 0.00 H new ATOM 0 HB ILE A 104 20.962 -13.448 -4.417 1.00 0.00 H new ATOM 0 HG12 ILE A 104 19.891 -10.633 -4.157 1.00 0.00 H new ATOM 0 HG13 ILE A 104 19.874 -11.887 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 104 22.378 -11.859 -5.627 1.00 0.00 H new ATOM 0 HG22 ILE A 104 21.501 -12.955 -6.720 1.00 0.00 H new ATOM 0 HG23 ILE A 104 20.949 -11.276 -6.513 1.00 0.00 H new ATOM 0 HD11 ILE A 104 21.659 -10.269 -2.505 1.00 0.00 H new ATOM 0 HD12 ILE A 104 22.343 -11.872 -2.864 1.00 0.00 H new ATOM 0 HD13 ILE A 104 22.361 -10.598 -4.107 1.00 0.00 H new ATOM 1658 N ALA A 105 18.767 -13.591 -7.641 1.00 0.00 N ATOM 1659 CA ALA A 105 18.890 -14.416 -8.796 1.00 0.00 C ATOM 1660 C ALA A 105 20.244 -14.171 -9.395 1.00 0.00 C ATOM 1661 O ALA A 105 20.613 -13.016 -9.664 1.00 0.00 O ATOM 1662 CB ALA A 105 17.800 -14.098 -9.797 1.00 0.00 C ATOM 0 H ALA A 105 18.263 -12.718 -7.794 1.00 0.00 H new ATOM 0 HA ALA A 105 18.784 -15.465 -8.521 1.00 0.00 H new ATOM 0 HB1 ALA A 105 17.911 -14.739 -10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 105 16.825 -14.272 -9.341 1.00 0.00 H new ATOM 0 HB3 ALA A 105 17.877 -13.054 -10.100 1.00 0.00 H new ATOM 1668 N ASP A 106 21.000 -15.214 -9.584 1.00 0.00 N ATOM 1669 CA ASP A 106 22.323 -15.086 -10.123 1.00 0.00 C ATOM 1670 C ASP A 106 22.275 -15.054 -11.610 1.00 0.00 C ATOM 1671 O ASP A 106 22.459 -16.059 -12.298 1.00 0.00 O ATOM 1672 CB ASP A 106 23.309 -16.121 -9.577 1.00 0.00 C ATOM 1673 CG ASP A 106 23.617 -15.886 -8.117 1.00 0.00 C ATOM 1674 OD1 ASP A 106 24.488 -15.054 -7.811 1.00 0.00 O ATOM 1675 OD2 ASP A 106 22.979 -16.513 -7.239 1.00 0.00 O ATOM 0 H ASP A 106 20.719 -16.171 -9.370 1.00 0.00 H new ATOM 0 HA ASP A 106 22.721 -14.131 -9.781 1.00 0.00 H new ATOM 0 HB2 ASP A 106 22.894 -17.121 -9.705 1.00 0.00 H new ATOM 0 HB3 ASP A 106 24.233 -16.083 -10.154 1.00 0.00 H new ATOM 1680 N ARG A 107 21.855 -13.918 -12.054 1.00 0.00 N ATOM 1681 CA ARG A 107 21.725 -13.559 -13.438 1.00 0.00 C ATOM 1682 C ARG A 107 23.090 -13.472 -14.084 1.00 0.00 C ATOM 1683 O ARG A 107 23.765 -12.436 -13.926 1.00 0.00 O ATOM 1684 CB ARG A 107 21.024 -12.209 -13.539 1.00 0.00 C ATOM 1685 CG ARG A 107 19.599 -12.198 -13.022 1.00 0.00 C ATOM 1686 CD ARG A 107 19.050 -10.783 -12.985 1.00 0.00 C ATOM 1687 NE ARG A 107 19.749 -9.953 -11.992 1.00 0.00 N ATOM 1688 CZ ARG A 107 20.236 -8.720 -12.203 1.00 0.00 C ATOM 1689 NH1 ARG A 107 20.195 -8.168 -13.421 1.00 0.00 N ATOM 1690 NH2 ARG A 107 20.782 -8.056 -11.190 1.00 0.00 N ATOM 1691 OXT ARG A 107 23.504 -14.424 -14.767 1.00 0.00 O ATOM 0 H ARG A 107 21.574 -13.164 -11.427 1.00 0.00 H new ATOM 0 HA ARG A 107 21.140 -14.320 -13.955 1.00 0.00 H new ATOM 0 HB2 ARG A 107 21.604 -11.471 -12.984 1.00 0.00 H new ATOM 0 HB3 ARG A 107 21.021 -11.893 -14.582 1.00 0.00 H new ATOM 0 HG2 ARG A 107 18.971 -12.820 -13.660 1.00 0.00 H new ATOM 0 HG3 ARG A 107 19.567 -12.632 -12.023 1.00 0.00 H new ATOM 0 HD2 ARG A 107 19.147 -10.329 -13.971 1.00 0.00 H new ATOM 0 HD3 ARG A 107 17.986 -10.812 -12.751 1.00 0.00 H new ATOM 0 HE ARG A 107 19.875 -10.349 -11.061 1.00 0.00 H new ATOM 0 HH11 ARG A 107 19.790 -8.685 -14.202 1.00 0.00 H new ATOM 0 HH12 ARG A 107 20.568 -7.230 -13.569 1.00 0.00 H new ATOM 0 HH21 ARG A 107 20.828 -8.484 -10.265 1.00 0.00 H new ATOM 0 HH22 ARG A 107 21.156 -7.118 -11.337 1.00 0.00 H new TER 1705 ARG A 107