USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 700 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 118 THR OG1 : rot 137:sc= -0.365! USER MOD Set 1.2: A 123 HIS : no HD1:sc= -9.07! C(o=-9.4!,f=-20!) USER MOD Set 2.1: A 55 MET CE :methyl 136:sc= -0.126 (180deg=-0.815) USER MOD Set 2.2: A 59 LYS NZ :NH3+ -122:sc= -0.0288 (180deg=-0.447) USER MOD Set 3.1: A 45 CYS SG : rot 35:sc= -1.15! USER MOD Set 3.2: A 122 TYR OH : rot -11:sc=-0.00927 USER MOD Set 4.1: A 36 ASN : amide:sc= -1.89! C(o=-0.7!,f=-8.1!) USER MOD Set 4.2: A 131 LYS NZ :NH3+ -179:sc= 1.19 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -5.1! C(o=-5.1!,f=-2.6!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 HIS : no HE2:sc= -9.18! C(o=-9.2!,f=-13!) USER MOD Single : A 50 LYS NZ :NH3+ 162:sc= -0.0609 (180deg=-0.507) USER MOD Single : A 52 MET CE :methyl -123:sc= -0.0154 (180deg=-0.185) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 MET CE :methyl 142:sc= 0 (180deg=-0.035) USER MOD Single : A 65 ASN : amide:sc= -7.57! C(o=-7.6!,f=-30!) USER MOD Single : A 70 GLN : amide:sc= -5.12! K(o=-5.1!,f=-2.7) USER MOD Single : A 71 TYR OH : rot 180:sc= -1.51! USER MOD Single : A 72 SER OG : rot 125:sc= 1.25 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.749 K(o=-0.75,f=-0.076) USER MOD Single : A 85 MET CE :methyl -153:sc= -1.2 (180deg=-3.15!) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.157 USER MOD Single : A 90 MET CE :methyl -112:sc=-0.00279 (180deg=-0.0782) USER MOD Single : A 95 GLN : amide:sc= -0.72 K(o=-0.72,f=-3.1!) USER MOD Single : A 112 THR OG1 : rot -110:sc= -2.48! USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 MET CE :methyl 167:sc= -0.112 (180deg=-0.5) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 36 2.542 -14.999 -12.805 1.00 0.00 N ATOM 2 CA ASN A 36 1.303 -15.826 -12.896 1.00 0.00 C ATOM 3 C ASN A 36 0.074 -14.913 -13.019 1.00 0.00 C ATOM 4 O ASN A 36 -0.001 -14.088 -13.908 1.00 0.00 O ATOM 5 CB ASN A 36 1.272 -16.629 -11.591 1.00 0.00 C ATOM 6 CG ASN A 36 0.253 -17.773 -11.694 1.00 0.00 C ATOM 7 OD1 ASN A 36 0.058 -18.507 -10.745 1.00 0.00 O ATOM 8 ND2 ASN A 36 -0.411 -17.963 -12.805 1.00 0.00 N ATOM 0 HA ASN A 36 1.293 -16.480 -13.768 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.262 -17.033 -11.381 1.00 0.00 H new ATOM 0 HB3 ASN A 36 1.011 -15.974 -10.759 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.088 -18.723 -12.871 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.252 -17.351 -13.605 1.00 0.00 H new ATOM 15 N ALA A 37 -0.886 -15.041 -12.140 1.00 0.00 N ATOM 16 CA ALA A 37 -2.090 -14.166 -12.224 1.00 0.00 C ATOM 17 C ALA A 37 -1.766 -12.791 -11.641 1.00 0.00 C ATOM 18 O ALA A 37 -1.480 -12.653 -10.468 1.00 0.00 O ATOM 19 CB ALA A 37 -3.161 -14.867 -11.385 1.00 0.00 C ATOM 0 H ALA A 37 -0.887 -15.711 -11.371 1.00 0.00 H new ATOM 0 HA ALA A 37 -2.423 -14.015 -13.251 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.078 -14.279 -11.401 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.357 -15.856 -11.798 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -2.811 -14.966 -10.357 1.00 0.00 H new ATOM 25 N VAL A 38 -1.799 -11.772 -12.453 1.00 0.00 N ATOM 26 CA VAL A 38 -1.482 -10.407 -11.947 1.00 0.00 C ATOM 27 C VAL A 38 -2.594 -9.427 -12.326 1.00 0.00 C ATOM 28 O VAL A 38 -3.359 -9.670 -13.235 1.00 0.00 O ATOM 29 CB VAL A 38 -0.182 -10.025 -12.648 1.00 0.00 C ATOM 30 CG1 VAL A 38 -0.424 -9.961 -14.156 1.00 0.00 C ATOM 31 CG2 VAL A 38 0.283 -8.657 -12.145 1.00 0.00 C ATOM 0 H VAL A 38 -2.032 -11.825 -13.445 1.00 0.00 H new ATOM 0 HA VAL A 38 -1.391 -10.381 -10.861 1.00 0.00 H new ATOM 0 HB VAL A 38 0.585 -10.769 -12.433 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.502 -9.688 -14.662 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -0.759 -10.935 -14.512 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.188 -9.214 -14.370 1.00 0.00 H new ATOM 0 HG21 VAL A 38 1.212 -8.382 -12.645 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.481 -7.910 -12.363 1.00 0.00 H new ATOM 0 HG23 VAL A 38 0.450 -8.702 -11.069 1.00 0.00 H new ATOM 41 N LYS A 39 -2.669 -8.310 -11.655 1.00 0.00 N ATOM 42 CA LYS A 39 -3.718 -7.306 -11.997 1.00 0.00 C ATOM 43 C LYS A 39 -3.114 -6.213 -12.879 1.00 0.00 C ATOM 44 O LYS A 39 -2.082 -5.647 -12.570 1.00 0.00 O ATOM 45 CB LYS A 39 -4.184 -6.735 -10.658 1.00 0.00 C ATOM 46 CG LYS A 39 -5.118 -7.736 -9.976 1.00 0.00 C ATOM 47 CD LYS A 39 -6.136 -6.982 -9.120 1.00 0.00 C ATOM 48 CE LYS A 39 -6.098 -7.523 -7.689 1.00 0.00 C ATOM 49 NZ LYS A 39 -6.181 -6.316 -6.821 1.00 0.00 N ATOM 0 H LYS A 39 -2.051 -8.049 -10.886 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.550 -7.742 -12.551 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.325 -6.529 -10.019 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -4.700 -5.788 -10.814 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -5.632 -8.339 -10.725 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -4.542 -8.422 -9.355 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -5.911 -5.915 -9.123 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.136 -7.098 -9.538 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -6.929 -8.203 -7.501 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.181 -8.082 -7.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.161 -6.605 -5.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.373 -5.691 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.067 -5.808 -7.017 1.00 0.00 H new ATOM 63 N VAL A 40 -3.741 -5.926 -13.988 1.00 0.00 N ATOM 64 CA VAL A 40 -3.186 -4.885 -14.903 1.00 0.00 C ATOM 65 C VAL A 40 -4.054 -3.622 -14.907 1.00 0.00 C ATOM 66 O VAL A 40 -5.252 -3.677 -15.092 1.00 0.00 O ATOM 67 CB VAL A 40 -3.197 -5.536 -16.286 1.00 0.00 C ATOM 68 CG1 VAL A 40 -2.835 -4.494 -17.347 1.00 0.00 C ATOM 69 CG2 VAL A 40 -2.173 -6.674 -16.322 1.00 0.00 C ATOM 0 H VAL A 40 -4.608 -6.364 -14.299 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.190 -4.570 -14.593 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.192 -5.932 -16.491 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.843 -4.960 -18.332 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.562 -3.683 -17.323 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -1.841 -4.096 -17.142 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -2.180 -7.139 -17.308 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -1.179 -6.276 -16.116 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -2.430 -7.418 -15.568 1.00 0.00 H new ATOM 79 N ARG A 41 -3.443 -2.481 -14.728 1.00 0.00 N ATOM 80 CA ARG A 41 -4.210 -1.201 -14.748 1.00 0.00 C ATOM 81 C ARG A 41 -3.651 -0.309 -15.861 1.00 0.00 C ATOM 82 O ARG A 41 -2.465 -0.056 -15.917 1.00 0.00 O ATOM 83 CB ARG A 41 -3.981 -0.571 -13.371 1.00 0.00 C ATOM 84 CG ARG A 41 -4.660 -1.425 -12.298 1.00 0.00 C ATOM 85 CD ARG A 41 -4.617 -0.693 -10.954 1.00 0.00 C ATOM 86 NE ARG A 41 -5.535 -1.462 -10.068 1.00 0.00 N ATOM 87 CZ ARG A 41 -6.011 -0.911 -8.983 1.00 0.00 C ATOM 88 NH1 ARG A 41 -5.221 -0.239 -8.192 1.00 0.00 N ATOM 89 NH2 ARG A 41 -7.277 -1.031 -8.692 1.00 0.00 N ATOM 0 H ARG A 41 -2.441 -2.380 -14.568 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.274 -1.342 -14.940 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -2.913 -0.495 -13.168 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.382 0.442 -13.352 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -5.693 -1.627 -12.580 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -4.158 -2.389 -12.215 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -3.605 -0.670 -10.549 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.943 0.342 -11.057 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.792 -2.419 -10.308 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.231 -0.144 -8.420 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -5.593 0.191 -7.345 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -7.895 -1.555 -9.311 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -7.649 -0.601 -7.845 1.00 0.00 H new ATOM 103 N HIS A 42 -4.477 0.146 -16.767 1.00 0.00 N ATOM 104 CA HIS A 42 -3.939 0.985 -17.877 1.00 0.00 C ATOM 105 C HIS A 42 -4.803 2.227 -18.142 1.00 0.00 C ATOM 106 O HIS A 42 -5.885 2.383 -17.611 1.00 0.00 O ATOM 107 CB HIS A 42 -3.943 0.052 -19.100 1.00 0.00 C ATOM 108 CG HIS A 42 -5.288 0.089 -19.786 1.00 0.00 C ATOM 109 ND1 HIS A 42 -5.431 0.478 -21.110 1.00 0.00 N ATOM 110 CD2 HIS A 42 -6.554 -0.203 -19.342 1.00 0.00 C ATOM 111 CE1 HIS A 42 -6.741 0.412 -21.414 1.00 0.00 C ATOM 112 NE2 HIS A 42 -7.469 0.002 -20.372 1.00 0.00 N ATOM 0 H HIS A 42 -5.483 -0.023 -16.787 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.948 1.371 -17.638 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -3.163 0.354 -19.799 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.714 -0.967 -18.789 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.802 -0.540 -18.346 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -7.152 0.660 -22.381 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -8.480 -0.132 -20.338 1.00 0.00 H new ATOM 120 N ILE A 43 -4.320 3.092 -18.997 1.00 0.00 N ATOM 121 CA ILE A 43 -5.077 4.324 -19.363 1.00 0.00 C ATOM 122 C ILE A 43 -5.194 4.388 -20.891 1.00 0.00 C ATOM 123 O ILE A 43 -4.202 4.480 -21.587 1.00 0.00 O ATOM 124 CB ILE A 43 -4.227 5.490 -18.849 1.00 0.00 C ATOM 125 CG1 ILE A 43 -3.974 5.328 -17.349 1.00 0.00 C ATOM 126 CG2 ILE A 43 -4.967 6.804 -19.096 1.00 0.00 C ATOM 127 CD1 ILE A 43 -2.843 6.266 -16.922 1.00 0.00 C ATOM 0 H ILE A 43 -3.418 2.993 -19.464 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.081 4.347 -18.940 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.273 5.498 -19.377 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.881 5.555 -16.789 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.710 4.295 -17.123 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.364 7.635 -18.731 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -5.145 6.926 -20.164 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -5.921 6.789 -18.569 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.660 6.153 -15.853 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.936 6.017 -17.473 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.126 7.297 -17.135 1.00 0.00 H new ATOM 139 N LEU A 44 -6.383 4.327 -21.424 1.00 0.00 N ATOM 140 CA LEU A 44 -6.521 4.367 -22.913 1.00 0.00 C ATOM 141 C LEU A 44 -6.972 5.746 -23.401 1.00 0.00 C ATOM 142 O LEU A 44 -7.992 6.265 -22.993 1.00 0.00 O ATOM 143 CB LEU A 44 -7.572 3.313 -23.254 1.00 0.00 C ATOM 144 CG LEU A 44 -7.394 2.885 -24.713 1.00 0.00 C ATOM 145 CD1 LEU A 44 -8.244 1.647 -25.007 1.00 0.00 C ATOM 146 CD2 LEU A 44 -7.835 4.026 -25.625 1.00 0.00 C ATOM 0 H LEU A 44 -7.257 4.252 -20.903 1.00 0.00 H new ATOM 0 HA LEU A 44 -5.566 4.170 -23.399 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -7.469 2.452 -22.594 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.573 3.716 -23.099 1.00 0.00 H new ATOM 0 HG LEU A 44 -6.345 2.647 -24.891 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -8.109 1.352 -26.048 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.935 0.830 -24.355 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -9.295 1.876 -24.828 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -7.711 3.728 -26.666 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -8.883 4.258 -25.436 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.226 4.908 -25.425 1.00 0.00 H new ATOM 158 N CYS A 45 -6.208 6.331 -24.283 1.00 0.00 N ATOM 159 CA CYS A 45 -6.562 7.670 -24.830 1.00 0.00 C ATOM 160 C CYS A 45 -6.186 7.725 -26.312 1.00 0.00 C ATOM 161 O CYS A 45 -5.380 6.948 -26.776 1.00 0.00 O ATOM 162 CB CYS A 45 -5.710 8.653 -24.034 1.00 0.00 C ATOM 163 SG CYS A 45 -6.494 8.981 -22.439 1.00 0.00 S ATOM 0 H CYS A 45 -5.344 5.933 -24.651 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.626 7.893 -24.749 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.711 8.244 -23.882 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.593 9.583 -24.591 1.00 0.00 H new ATOM 0 HG CYS A 45 -7.085 7.903 -22.016 1.00 0.00 H new ATOM 169 N GLU A 46 -6.749 8.634 -27.061 1.00 0.00 N ATOM 170 CA GLU A 46 -6.396 8.711 -28.509 1.00 0.00 C ATOM 171 C GLU A 46 -4.973 9.260 -28.668 1.00 0.00 C ATOM 172 O GLU A 46 -4.352 9.661 -27.710 1.00 0.00 O ATOM 173 CB GLU A 46 -7.434 9.645 -29.123 1.00 0.00 C ATOM 174 CG GLU A 46 -8.781 8.925 -29.185 1.00 0.00 C ATOM 175 CD GLU A 46 -9.900 9.942 -29.416 1.00 0.00 C ATOM 176 OE1 GLU A 46 -9.590 11.112 -29.571 1.00 0.00 O ATOM 177 OE2 GLU A 46 -11.049 9.533 -29.432 1.00 0.00 O ATOM 0 H GLU A 46 -7.431 9.320 -26.738 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.408 7.738 -29.000 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.521 10.554 -28.528 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -7.123 9.947 -30.123 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -8.774 8.189 -29.989 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -8.957 8.381 -28.257 1.00 0.00 H new ATOM 184 N LYS A 47 -4.436 9.254 -29.861 1.00 0.00 N ATOM 185 CA LYS A 47 -3.031 9.742 -30.046 1.00 0.00 C ATOM 186 C LYS A 47 -2.969 11.229 -30.419 1.00 0.00 C ATOM 187 O LYS A 47 -3.336 11.629 -31.505 1.00 0.00 O ATOM 188 CB LYS A 47 -2.470 8.887 -31.185 1.00 0.00 C ATOM 189 CG LYS A 47 -1.048 9.348 -31.520 1.00 0.00 C ATOM 190 CD LYS A 47 -0.519 8.554 -32.717 1.00 0.00 C ATOM 191 CE LYS A 47 0.826 9.135 -33.163 1.00 0.00 C ATOM 192 NZ LYS A 47 1.041 8.603 -34.538 1.00 0.00 N ATOM 0 H LYS A 47 -4.903 8.936 -30.710 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.463 9.651 -29.120 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.464 7.836 -30.896 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.108 8.972 -32.065 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.045 10.414 -31.748 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.396 9.204 -30.659 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -0.402 7.504 -32.447 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.235 8.594 -33.538 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.805 10.225 -33.161 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.629 8.830 -32.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.945 8.958 -34.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.064 7.564 -34.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 0.265 8.915 -35.156 1.00 0.00 H new ATOM 206 N HIS A 48 -2.472 12.042 -29.522 1.00 0.00 N ATOM 207 CA HIS A 48 -2.336 13.503 -29.807 1.00 0.00 C ATOM 208 C HIS A 48 -0.937 13.967 -29.407 1.00 0.00 C ATOM 209 O HIS A 48 -0.658 15.148 -29.335 1.00 0.00 O ATOM 210 CB HIS A 48 -3.355 14.203 -28.911 1.00 0.00 C ATOM 211 CG HIS A 48 -4.644 13.448 -28.910 1.00 0.00 C ATOM 212 ND1 HIS A 48 -5.127 12.799 -30.031 1.00 0.00 N ATOM 213 CD2 HIS A 48 -5.569 13.244 -27.927 1.00 0.00 C ATOM 214 CE1 HIS A 48 -6.302 12.241 -29.695 1.00 0.00 C ATOM 215 NE2 HIS A 48 -6.618 12.483 -28.420 1.00 0.00 N ATOM 0 H HIS A 48 -2.152 11.754 -28.597 1.00 0.00 H new ATOM 0 HA HIS A 48 -2.496 13.722 -30.863 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -2.967 14.277 -27.895 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.521 15.221 -29.263 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -4.675 12.752 -30.944 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -5.495 13.619 -26.917 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -6.916 11.667 -30.373 1.00 0.00 H new ATOM 223 N GLY A 49 -0.070 13.045 -29.093 1.00 0.00 N ATOM 224 CA GLY A 49 1.290 13.433 -28.635 1.00 0.00 C ATOM 225 C GLY A 49 1.230 13.617 -27.115 1.00 0.00 C ATOM 226 O GLY A 49 2.235 13.776 -26.451 1.00 0.00 O ATOM 0 H GLY A 49 -0.246 12.041 -29.134 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.017 12.665 -28.900 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.609 14.355 -29.120 1.00 0.00 H new ATOM 230 N LYS A 50 0.040 13.587 -26.567 1.00 0.00 N ATOM 231 CA LYS A 50 -0.137 13.747 -25.097 1.00 0.00 C ATOM 232 C LYS A 50 0.309 12.469 -24.384 1.00 0.00 C ATOM 233 O LYS A 50 0.525 12.452 -23.188 1.00 0.00 O ATOM 234 CB LYS A 50 -1.640 13.971 -24.933 1.00 0.00 C ATOM 235 CG LYS A 50 -2.026 13.929 -23.456 1.00 0.00 C ATOM 236 CD LYS A 50 -3.526 14.209 -23.327 1.00 0.00 C ATOM 237 CE LYS A 50 -3.763 15.201 -22.186 1.00 0.00 C ATOM 238 NZ LYS A 50 -3.225 16.497 -22.687 1.00 0.00 N ATOM 0 H LYS A 50 -0.827 13.456 -27.088 1.00 0.00 H new ATOM 0 HA LYS A 50 0.450 14.562 -24.673 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.920 14.934 -25.361 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.190 13.206 -25.481 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -1.787 12.954 -23.031 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.455 14.669 -22.896 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.913 14.614 -24.262 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.065 13.281 -23.135 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.823 15.280 -21.945 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.252 14.886 -21.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.610 17.277 -22.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.188 16.494 -22.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.501 16.626 -23.681 1.00 0.00 H new ATOM 252 N ILE A 51 0.452 11.399 -25.121 1.00 0.00 N ATOM 253 CA ILE A 51 0.892 10.110 -24.513 1.00 0.00 C ATOM 254 C ILE A 51 1.992 10.373 -23.477 1.00 0.00 C ATOM 255 O ILE A 51 1.978 9.834 -22.379 1.00 0.00 O ATOM 256 CB ILE A 51 1.423 9.300 -25.703 1.00 0.00 C ATOM 257 CG1 ILE A 51 1.799 7.885 -25.255 1.00 0.00 C ATOM 258 CG2 ILE A 51 2.659 9.991 -26.283 1.00 0.00 C ATOM 259 CD1 ILE A 51 2.340 7.100 -26.452 1.00 0.00 C ATOM 0 H ILE A 51 0.281 11.363 -26.126 1.00 0.00 H new ATOM 0 HA ILE A 51 0.096 9.584 -23.987 1.00 0.00 H new ATOM 0 HB ILE A 51 0.644 9.239 -26.463 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.549 7.929 -24.466 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.928 7.380 -24.839 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.035 9.415 -27.128 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.392 10.993 -26.618 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.432 10.058 -25.517 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.608 6.092 -26.135 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.575 7.045 -27.227 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.222 7.603 -26.848 1.00 0.00 H new ATOM 271 N MET A 52 2.935 11.213 -23.807 1.00 0.00 N ATOM 272 CA MET A 52 4.023 11.526 -22.841 1.00 0.00 C ATOM 273 C MET A 52 3.438 12.248 -21.629 1.00 0.00 C ATOM 274 O MET A 52 3.781 11.960 -20.499 1.00 0.00 O ATOM 275 CB MET A 52 4.984 12.438 -23.602 1.00 0.00 C ATOM 276 CG MET A 52 6.284 12.582 -22.809 1.00 0.00 C ATOM 277 SD MET A 52 7.500 13.483 -23.802 1.00 0.00 S ATOM 278 CE MET A 52 6.835 15.142 -23.521 1.00 0.00 C ATOM 0 H MET A 52 2.998 11.695 -24.704 1.00 0.00 H new ATOM 0 HA MET A 52 4.527 10.632 -22.473 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.191 12.024 -24.589 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.529 13.416 -23.756 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.096 13.112 -21.875 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.672 11.598 -22.544 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.602 15.608 -24.479 1.00 0.00 H new ATOM 0 HE2 MET A 52 5.928 15.073 -22.920 1.00 0.00 H new ATOM 0 HE3 MET A 52 7.574 15.746 -22.994 1.00 0.00 H new ATOM 288 N GLU A 53 2.546 13.176 -21.851 1.00 0.00 N ATOM 289 CA GLU A 53 1.936 13.897 -20.703 1.00 0.00 C ATOM 290 C GLU A 53 1.297 12.882 -19.756 1.00 0.00 C ATOM 291 O GLU A 53 1.459 12.952 -18.555 1.00 0.00 O ATOM 292 CB GLU A 53 0.876 14.818 -21.308 1.00 0.00 C ATOM 293 CG GLU A 53 0.341 15.753 -20.221 1.00 0.00 C ATOM 294 CD GLU A 53 -0.469 16.880 -20.864 1.00 0.00 C ATOM 295 OE1 GLU A 53 -0.324 17.080 -22.059 1.00 0.00 O ATOM 296 OE2 GLU A 53 -1.219 17.524 -20.150 1.00 0.00 O ATOM 0 H GLU A 53 2.217 13.463 -22.773 1.00 0.00 H new ATOM 0 HA GLU A 53 2.668 14.468 -20.131 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.305 15.399 -22.125 1.00 0.00 H new ATOM 0 HB3 GLU A 53 0.062 14.228 -21.729 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.284 15.195 -19.523 1.00 0.00 H new ATOM 0 HG3 GLU A 53 1.168 16.169 -19.646 1.00 0.00 H new ATOM 303 N ALA A 54 0.589 11.921 -20.289 1.00 0.00 N ATOM 304 CA ALA A 54 -0.030 10.893 -19.410 1.00 0.00 C ATOM 305 C ALA A 54 1.045 10.352 -18.472 1.00 0.00 C ATOM 306 O ALA A 54 0.959 10.484 -17.264 1.00 0.00 O ATOM 307 CB ALA A 54 -0.529 9.798 -20.355 1.00 0.00 C ATOM 0 H ALA A 54 0.415 11.806 -21.287 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.846 11.282 -18.800 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.999 9.003 -19.775 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.256 10.220 -21.049 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.312 9.390 -20.915 1.00 0.00 H new ATOM 313 N MET A 55 2.079 9.768 -19.017 1.00 0.00 N ATOM 314 CA MET A 55 3.167 9.256 -18.140 1.00 0.00 C ATOM 315 C MET A 55 3.745 10.429 -17.346 1.00 0.00 C ATOM 316 O MET A 55 4.142 10.295 -16.205 1.00 0.00 O ATOM 317 CB MET A 55 4.214 8.670 -19.088 1.00 0.00 C ATOM 318 CG MET A 55 5.443 8.234 -18.286 1.00 0.00 C ATOM 319 SD MET A 55 6.792 7.832 -19.423 1.00 0.00 S ATOM 320 CE MET A 55 7.221 9.530 -19.876 1.00 0.00 C ATOM 0 H MET A 55 2.215 9.625 -20.018 1.00 0.00 H new ATOM 0 HA MET A 55 2.825 8.505 -17.428 1.00 0.00 H new ATOM 0 HB2 MET A 55 3.797 7.819 -19.626 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.498 9.411 -19.835 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.750 9.030 -17.608 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.201 7.367 -17.671 1.00 0.00 H new ATOM 0 HE1 MET A 55 8.305 9.645 -19.870 1.00 0.00 H new ATOM 0 HE2 MET A 55 6.838 9.748 -20.873 1.00 0.00 H new ATOM 0 HE3 MET A 55 6.779 10.221 -19.158 1.00 0.00 H new ATOM 330 N GLU A 56 3.768 11.591 -17.940 1.00 0.00 N ATOM 331 CA GLU A 56 4.290 12.782 -17.218 1.00 0.00 C ATOM 332 C GLU A 56 3.399 13.053 -16.007 1.00 0.00 C ATOM 333 O GLU A 56 3.855 13.482 -14.965 1.00 0.00 O ATOM 334 CB GLU A 56 4.201 13.931 -18.221 1.00 0.00 C ATOM 335 CG GLU A 56 4.914 15.160 -17.656 1.00 0.00 C ATOM 336 CD GLU A 56 4.646 16.365 -18.559 1.00 0.00 C ATOM 337 OE1 GLU A 56 4.661 16.190 -19.766 1.00 0.00 O ATOM 338 OE2 GLU A 56 4.433 17.442 -18.027 1.00 0.00 O ATOM 0 H GLU A 56 3.448 11.765 -18.893 1.00 0.00 H new ATOM 0 HA GLU A 56 5.311 12.650 -16.859 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.655 13.637 -19.167 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.157 14.167 -18.428 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.563 15.365 -16.645 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.986 14.973 -17.589 1.00 0.00 H new ATOM 345 N LYS A 57 2.126 12.784 -16.136 1.00 0.00 N ATOM 346 CA LYS A 57 1.197 13.002 -14.995 1.00 0.00 C ATOM 347 C LYS A 57 1.603 12.094 -13.837 1.00 0.00 C ATOM 348 O LYS A 57 1.693 12.515 -12.701 1.00 0.00 O ATOM 349 CB LYS A 57 -0.181 12.609 -15.529 1.00 0.00 C ATOM 350 CG LYS A 57 -1.257 13.058 -14.542 1.00 0.00 C ATOM 351 CD LYS A 57 -1.763 14.444 -14.940 1.00 0.00 C ATOM 352 CE LYS A 57 -2.435 15.108 -13.736 1.00 0.00 C ATOM 353 NZ LYS A 57 -3.206 16.252 -14.300 1.00 0.00 N ATOM 0 H LYS A 57 1.692 12.422 -16.985 1.00 0.00 H new ATOM 0 HA LYS A 57 1.208 14.028 -14.627 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.350 13.069 -16.502 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.233 11.530 -15.674 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.082 12.345 -14.537 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.851 13.083 -13.531 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -0.934 15.058 -15.292 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.471 14.361 -15.765 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.091 14.409 -13.216 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.696 15.450 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -3.694 16.755 -13.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.556 16.905 -14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.907 15.896 -14.981 1.00 0.00 H new ATOM 367 N LEU A 58 1.873 10.851 -14.126 1.00 0.00 N ATOM 368 CA LEU A 58 2.301 9.917 -13.045 1.00 0.00 C ATOM 369 C LEU A 58 3.790 9.591 -13.214 1.00 0.00 C ATOM 370 O LEU A 58 4.263 8.546 -12.813 1.00 0.00 O ATOM 371 CB LEU A 58 1.421 8.664 -13.181 1.00 0.00 C ATOM 372 CG LEU A 58 1.371 8.182 -14.632 1.00 0.00 C ATOM 373 CD1 LEU A 58 2.759 7.732 -15.060 1.00 0.00 C ATOM 374 CD2 LEU A 58 0.406 7.003 -14.740 1.00 0.00 C ATOM 0 H LEU A 58 1.816 10.442 -15.059 1.00 0.00 H new ATOM 0 HA LEU A 58 2.181 10.349 -12.051 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.812 7.870 -12.544 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.412 8.885 -12.833 1.00 0.00 H new ATOM 0 HG LEU A 58 1.033 8.994 -15.275 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.727 7.388 -16.094 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.454 8.568 -14.977 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.092 6.918 -14.416 1.00 0.00 H new ATOM 0 HD21 LEU A 58 0.368 6.657 -15.773 1.00 0.00 H new ATOM 0 HD22 LEU A 58 0.749 6.192 -14.098 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.589 7.318 -14.426 1.00 0.00 H new ATOM 386 N LYS A 59 4.526 10.500 -13.801 1.00 0.00 N ATOM 387 CA LYS A 59 5.991 10.290 -14.007 1.00 0.00 C ATOM 388 C LYS A 59 6.682 9.969 -12.684 1.00 0.00 C ATOM 389 O LYS A 59 7.276 8.923 -12.518 1.00 0.00 O ATOM 390 CB LYS A 59 6.498 11.626 -14.539 1.00 0.00 C ATOM 391 CG LYS A 59 7.800 11.407 -15.317 1.00 0.00 C ATOM 392 CD LYS A 59 8.369 12.757 -15.761 1.00 0.00 C ATOM 393 CE LYS A 59 9.604 12.527 -16.635 1.00 0.00 C ATOM 394 NZ LYS A 59 9.072 12.076 -17.955 1.00 0.00 N ATOM 0 H LYS A 59 4.170 11.390 -14.150 1.00 0.00 H new ATOM 0 HA LYS A 59 6.192 9.459 -14.683 1.00 0.00 H new ATOM 0 HB2 LYS A 59 5.747 12.080 -15.186 1.00 0.00 H new ATOM 0 HB3 LYS A 59 6.667 12.317 -13.713 1.00 0.00 H new ATOM 0 HG2 LYS A 59 8.524 10.884 -14.693 1.00 0.00 H new ATOM 0 HG3 LYS A 59 7.614 10.776 -16.186 1.00 0.00 H new ATOM 0 HD2 LYS A 59 7.616 13.316 -16.317 1.00 0.00 H new ATOM 0 HD3 LYS A 59 8.633 13.357 -14.890 1.00 0.00 H new ATOM 0 HE2 LYS A 59 10.189 13.441 -16.738 1.00 0.00 H new ATOM 0 HE3 LYS A 59 10.261 11.775 -16.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 9.467 11.143 -18.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 8.035 12.011 -17.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 9.342 12.760 -18.690 1.00 0.00 H new ATOM 408 N SER A 60 6.608 10.866 -11.737 1.00 0.00 N ATOM 409 CA SER A 60 7.259 10.620 -10.419 1.00 0.00 C ATOM 410 C SER A 60 6.365 9.738 -9.543 1.00 0.00 C ATOM 411 O SER A 60 6.341 9.868 -8.335 1.00 0.00 O ATOM 412 CB SER A 60 7.423 12.005 -9.797 1.00 0.00 C ATOM 413 OG SER A 60 8.355 12.757 -10.562 1.00 0.00 O ATOM 0 H SER A 60 6.124 11.760 -11.820 1.00 0.00 H new ATOM 0 HA SER A 60 8.213 10.102 -10.518 1.00 0.00 H new ATOM 0 HB2 SER A 60 6.462 12.519 -9.767 1.00 0.00 H new ATOM 0 HB3 SER A 60 7.769 11.915 -8.767 1.00 0.00 H new ATOM 0 HG SER A 60 8.461 13.647 -10.166 1.00 0.00 H new ATOM 419 N GLY A 61 5.630 8.838 -10.140 1.00 0.00 N ATOM 420 CA GLY A 61 4.745 7.953 -9.343 1.00 0.00 C ATOM 421 C GLY A 61 3.530 8.740 -8.857 1.00 0.00 C ATOM 422 O GLY A 61 2.929 8.402 -7.856 1.00 0.00 O ATOM 0 H GLY A 61 5.607 8.681 -11.148 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.423 7.105 -9.948 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.292 7.548 -8.492 1.00 0.00 H new ATOM 426 N MET A 62 3.150 9.786 -9.547 1.00 0.00 N ATOM 427 CA MET A 62 1.962 10.562 -9.088 1.00 0.00 C ATOM 428 C MET A 62 0.767 9.618 -8.917 1.00 0.00 C ATOM 429 O MET A 62 0.900 8.414 -9.005 1.00 0.00 O ATOM 430 CB MET A 62 1.691 11.598 -10.181 1.00 0.00 C ATOM 431 CG MET A 62 1.280 12.925 -9.536 1.00 0.00 C ATOM 432 SD MET A 62 1.731 14.299 -10.625 1.00 0.00 S ATOM 433 CE MET A 62 3.467 14.423 -10.132 1.00 0.00 C ATOM 0 H MET A 62 3.603 10.130 -10.394 1.00 0.00 H new ATOM 0 HA MET A 62 2.131 11.047 -8.127 1.00 0.00 H new ATOM 0 HB2 MET A 62 2.582 11.739 -10.792 1.00 0.00 H new ATOM 0 HB3 MET A 62 0.902 11.244 -10.845 1.00 0.00 H new ATOM 0 HG2 MET A 62 0.206 12.933 -9.351 1.00 0.00 H new ATOM 0 HG3 MET A 62 1.771 13.038 -8.570 1.00 0.00 H new ATOM 0 HE1 MET A 62 4.078 14.649 -11.006 1.00 0.00 H new ATOM 0 HE2 MET A 62 3.580 15.218 -9.395 1.00 0.00 H new ATOM 0 HE3 MET A 62 3.790 13.477 -9.698 1.00 0.00 H new ATOM 443 N ARG A 63 -0.396 10.148 -8.660 1.00 0.00 N ATOM 444 CA ARG A 63 -1.587 9.271 -8.466 1.00 0.00 C ATOM 445 C ARG A 63 -2.026 8.625 -9.790 1.00 0.00 C ATOM 446 O ARG A 63 -2.976 9.053 -10.416 1.00 0.00 O ATOM 447 CB ARG A 63 -2.674 10.206 -7.934 1.00 0.00 C ATOM 448 CG ARG A 63 -3.451 9.503 -6.817 1.00 0.00 C ATOM 449 CD ARG A 63 -2.976 10.010 -5.455 1.00 0.00 C ATOM 450 NE ARG A 63 -1.634 9.395 -5.263 1.00 0.00 N ATOM 451 CZ ARG A 63 -1.522 8.253 -4.642 1.00 0.00 C ATOM 452 NH1 ARG A 63 -2.513 7.404 -4.649 1.00 0.00 N ATOM 453 NH2 ARG A 63 -0.416 7.958 -4.014 1.00 0.00 N ATOM 0 H ARG A 63 -0.575 11.149 -8.576 1.00 0.00 H new ATOM 0 HA ARG A 63 -1.377 8.446 -7.785 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -2.225 11.125 -7.557 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -3.351 10.489 -8.740 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -4.519 9.689 -6.932 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -3.306 8.425 -6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.918 11.098 -5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -3.663 9.714 -4.662 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.802 9.867 -5.617 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -3.377 7.633 -5.141 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -2.424 6.512 -4.163 1.00 0.00 H new ATOM 0 HH21 ARG A 63 0.360 8.620 -4.009 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -0.328 7.065 -3.528 1.00 0.00 H new ATOM 467 N PHE A 64 -1.345 7.590 -10.214 1.00 0.00 N ATOM 468 CA PHE A 64 -1.720 6.906 -11.489 1.00 0.00 C ATOM 469 C PHE A 64 -3.236 6.658 -11.552 1.00 0.00 C ATOM 470 O PHE A 64 -3.811 6.586 -12.620 1.00 0.00 O ATOM 471 CB PHE A 64 -0.946 5.580 -11.457 1.00 0.00 C ATOM 472 CG PHE A 64 -1.626 4.545 -12.330 1.00 0.00 C ATOM 473 CD1 PHE A 64 -1.794 4.781 -13.701 1.00 0.00 C ATOM 474 CD2 PHE A 64 -2.083 3.347 -11.767 1.00 0.00 C ATOM 475 CE1 PHE A 64 -2.419 3.820 -14.506 1.00 0.00 C ATOM 476 CE2 PHE A 64 -2.706 2.386 -12.572 1.00 0.00 C ATOM 477 CZ PHE A 64 -2.874 2.623 -13.941 1.00 0.00 C ATOM 0 H PHE A 64 -0.542 7.188 -9.730 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.476 7.504 -12.367 1.00 0.00 H new ATOM 0 HB2 PHE A 64 0.075 5.740 -11.802 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.882 5.214 -10.432 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.442 5.704 -14.137 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.955 3.164 -10.710 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.550 4.003 -15.562 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.057 1.462 -12.137 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.355 1.882 -14.562 1.00 0.00 H new ATOM 487 N ASN A 65 -3.892 6.522 -10.429 1.00 0.00 N ATOM 488 CA ASN A 65 -5.365 6.275 -10.465 1.00 0.00 C ATOM 489 C ASN A 65 -6.094 7.515 -10.994 1.00 0.00 C ATOM 490 O ASN A 65 -6.947 7.423 -11.856 1.00 0.00 O ATOM 491 CB ASN A 65 -5.771 5.975 -9.018 1.00 0.00 C ATOM 492 CG ASN A 65 -5.450 7.175 -8.132 1.00 0.00 C ATOM 493 OD1 ASN A 65 -4.623 7.991 -8.478 1.00 0.00 O ATOM 494 ND2 ASN A 65 -6.072 7.317 -6.992 1.00 0.00 N ATOM 0 H ASN A 65 -3.478 6.570 -9.498 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.625 5.449 -11.126 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -6.836 5.750 -8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.242 5.093 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.862 8.115 -6.392 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.768 6.630 -6.702 1.00 0.00 H new ATOM 501 N GLU A 66 -5.761 8.676 -10.496 1.00 0.00 N ATOM 502 CA GLU A 66 -6.434 9.911 -10.986 1.00 0.00 C ATOM 503 C GLU A 66 -6.120 10.109 -12.470 1.00 0.00 C ATOM 504 O GLU A 66 -6.930 10.611 -13.224 1.00 0.00 O ATOM 505 CB GLU A 66 -5.846 11.047 -10.149 1.00 0.00 C ATOM 506 CG GLU A 66 -6.123 10.788 -8.666 1.00 0.00 C ATOM 507 CD GLU A 66 -5.437 11.865 -7.822 1.00 0.00 C ATOM 508 OE1 GLU A 66 -4.404 12.355 -8.248 1.00 0.00 O ATOM 509 OE2 GLU A 66 -5.956 12.182 -6.764 1.00 0.00 O ATOM 0 H GLU A 66 -5.055 8.821 -9.774 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.519 9.866 -10.889 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.772 11.121 -10.321 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.284 11.999 -10.450 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.197 10.794 -8.479 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.756 9.801 -8.384 1.00 0.00 H new ATOM 516 N VAL A 67 -4.953 9.705 -12.897 1.00 0.00 N ATOM 517 CA VAL A 67 -4.596 9.859 -14.337 1.00 0.00 C ATOM 518 C VAL A 67 -5.573 9.051 -15.191 1.00 0.00 C ATOM 519 O VAL A 67 -6.195 9.566 -16.097 1.00 0.00 O ATOM 520 CB VAL A 67 -3.175 9.304 -14.463 1.00 0.00 C ATOM 521 CG1 VAL A 67 -2.672 9.495 -15.895 1.00 0.00 C ATOM 522 CG2 VAL A 67 -2.246 10.045 -13.500 1.00 0.00 C ATOM 0 H VAL A 67 -4.234 9.277 -12.313 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.648 10.894 -14.675 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.184 8.242 -14.218 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -1.660 9.099 -15.981 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.329 8.966 -16.585 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -2.668 10.557 -16.141 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.235 9.648 -13.592 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.242 11.107 -13.743 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.598 9.908 -12.477 1.00 0.00 H new ATOM 532 N ALA A 68 -5.725 7.789 -14.900 1.00 0.00 N ATOM 533 CA ALA A 68 -6.674 6.952 -15.689 1.00 0.00 C ATOM 534 C ALA A 68 -8.040 7.639 -15.762 1.00 0.00 C ATOM 535 O ALA A 68 -8.527 7.966 -16.828 1.00 0.00 O ATOM 536 CB ALA A 68 -6.776 5.637 -14.917 1.00 0.00 C ATOM 0 H ALA A 68 -5.234 7.301 -14.151 1.00 0.00 H new ATOM 0 HA ALA A 68 -6.339 6.796 -16.714 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.459 4.963 -15.435 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.791 5.176 -14.852 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -7.152 5.833 -13.913 1.00 0.00 H new ATOM 542 N ALA A 69 -8.656 7.867 -14.633 1.00 0.00 N ATOM 543 CA ALA A 69 -9.987 8.539 -14.636 1.00 0.00 C ATOM 544 C ALA A 69 -9.948 9.763 -15.555 1.00 0.00 C ATOM 545 O ALA A 69 -10.801 9.945 -16.401 1.00 0.00 O ATOM 546 CB ALA A 69 -10.218 8.962 -13.185 1.00 0.00 C ATOM 0 H ALA A 69 -8.296 7.618 -13.712 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.783 7.890 -15.000 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -11.181 9.466 -13.102 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -10.213 8.080 -12.544 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -9.425 9.641 -12.873 1.00 0.00 H new ATOM 552 N GLN A 70 -8.959 10.602 -15.398 1.00 0.00 N ATOM 553 CA GLN A 70 -8.859 11.811 -16.266 1.00 0.00 C ATOM 554 C GLN A 70 -8.467 11.400 -17.688 1.00 0.00 C ATOM 555 O GLN A 70 -8.775 12.077 -18.648 1.00 0.00 O ATOM 556 CB GLN A 70 -7.755 12.663 -15.635 1.00 0.00 C ATOM 557 CG GLN A 70 -8.363 13.597 -14.587 1.00 0.00 C ATOM 558 CD GLN A 70 -8.748 12.792 -13.346 1.00 0.00 C ATOM 559 OE1 GLN A 70 -8.086 12.865 -12.330 1.00 0.00 O ATOM 560 NE2 GLN A 70 -9.799 12.019 -13.385 1.00 0.00 N ATOM 0 H GLN A 70 -8.216 10.502 -14.706 1.00 0.00 H new ATOM 0 HA GLN A 70 -9.803 12.352 -16.334 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.005 12.021 -15.173 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.246 13.245 -16.404 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.648 14.376 -14.321 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.241 14.097 -14.996 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.355 11.957 -14.238 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.064 11.477 -12.563 1.00 0.00 H new ATOM 569 N TYR A 71 -7.788 10.294 -17.826 1.00 0.00 N ATOM 570 CA TYR A 71 -7.370 9.833 -19.182 1.00 0.00 C ATOM 571 C TYR A 71 -8.139 8.569 -19.573 1.00 0.00 C ATOM 572 O TYR A 71 -7.647 7.733 -20.304 1.00 0.00 O ATOM 573 CB TYR A 71 -5.877 9.530 -19.059 1.00 0.00 C ATOM 574 CG TYR A 71 -5.092 10.819 -19.100 1.00 0.00 C ATOM 575 CD1 TYR A 71 -4.760 11.393 -20.332 1.00 0.00 C ATOM 576 CD2 TYR A 71 -4.694 11.440 -17.909 1.00 0.00 C ATOM 577 CE1 TYR A 71 -4.030 12.586 -20.374 1.00 0.00 C ATOM 578 CE2 TYR A 71 -3.965 12.635 -17.952 1.00 0.00 C ATOM 579 CZ TYR A 71 -3.634 13.207 -19.184 1.00 0.00 C ATOM 580 OH TYR A 71 -2.914 14.384 -19.227 1.00 0.00 O ATOM 0 H TYR A 71 -7.504 9.688 -17.057 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.573 10.580 -19.949 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.679 9.002 -18.126 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.561 8.874 -19.870 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.067 10.915 -21.251 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -4.949 10.997 -16.958 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.772 13.028 -21.325 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -3.659 13.114 -17.034 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.720 14.683 -18.314 1.00 0.00 H new ATOM 590 N SER A 72 -9.341 8.419 -19.092 1.00 0.00 N ATOM 591 CA SER A 72 -10.134 7.210 -19.441 1.00 0.00 C ATOM 592 C SER A 72 -11.142 7.543 -20.546 1.00 0.00 C ATOM 593 O SER A 72 -12.178 8.128 -20.297 1.00 0.00 O ATOM 594 CB SER A 72 -10.855 6.827 -18.150 1.00 0.00 C ATOM 595 OG SER A 72 -11.631 5.657 -18.374 1.00 0.00 O ATOM 0 H SER A 72 -9.808 9.081 -18.473 1.00 0.00 H new ATOM 0 HA SER A 72 -9.512 6.397 -19.815 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.131 6.650 -17.354 1.00 0.00 H new ATOM 0 HB3 SER A 72 -11.496 7.645 -17.822 1.00 0.00 H new ATOM 0 HG SER A 72 -11.384 4.970 -17.720 1.00 0.00 H new ATOM 601 N GLU A 73 -10.853 7.172 -21.763 1.00 0.00 N ATOM 602 CA GLU A 73 -11.801 7.468 -22.877 1.00 0.00 C ATOM 603 C GLU A 73 -12.600 6.213 -23.238 1.00 0.00 C ATOM 604 O GLU A 73 -13.405 6.218 -24.148 1.00 0.00 O ATOM 605 CB GLU A 73 -10.923 7.899 -24.052 1.00 0.00 C ATOM 606 CG GLU A 73 -10.155 9.167 -23.678 1.00 0.00 C ATOM 607 CD GLU A 73 -11.129 10.341 -23.567 1.00 0.00 C ATOM 608 OE1 GLU A 73 -12.304 10.137 -23.824 1.00 0.00 O ATOM 609 OE2 GLU A 73 -10.684 11.424 -23.225 1.00 0.00 O ATOM 0 H GLU A 73 -10.003 6.678 -22.035 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.522 8.240 -22.607 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -10.226 7.102 -24.310 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -11.539 8.081 -24.932 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.634 9.023 -22.732 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.396 9.380 -24.431 1.00 0.00 H new ATOM 616 N ASP A 74 -12.384 5.141 -22.530 1.00 0.00 N ATOM 617 CA ASP A 74 -13.131 3.886 -22.828 1.00 0.00 C ATOM 618 C ASP A 74 -14.003 3.507 -21.630 1.00 0.00 C ATOM 619 O ASP A 74 -14.255 2.347 -21.373 1.00 0.00 O ATOM 620 CB ASP A 74 -12.050 2.832 -23.072 1.00 0.00 C ATOM 621 CG ASP A 74 -11.333 3.137 -24.389 1.00 0.00 C ATOM 622 OD1 ASP A 74 -11.865 2.780 -25.427 1.00 0.00 O ATOM 623 OD2 ASP A 74 -10.265 3.724 -24.337 1.00 0.00 O ATOM 0 H ASP A 74 -11.722 5.078 -21.757 1.00 0.00 H new ATOM 0 HA ASP A 74 -13.796 3.985 -23.686 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.336 2.829 -22.248 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.497 1.838 -23.110 1.00 0.00 H new ATOM 628 N LYS A 75 -14.463 4.483 -20.895 1.00 0.00 N ATOM 629 CA LYS A 75 -15.317 4.188 -19.710 1.00 0.00 C ATOM 630 C LYS A 75 -16.662 3.608 -20.157 1.00 0.00 C ATOM 631 O LYS A 75 -17.319 2.905 -19.416 1.00 0.00 O ATOM 632 CB LYS A 75 -15.510 5.538 -19.016 1.00 0.00 C ATOM 633 CG LYS A 75 -16.493 6.393 -19.818 1.00 0.00 C ATOM 634 CD LYS A 75 -16.636 7.764 -19.156 1.00 0.00 C ATOM 635 CE LYS A 75 -18.070 8.270 -19.335 1.00 0.00 C ATOM 636 NZ LYS A 75 -18.102 9.602 -18.665 1.00 0.00 N ATOM 0 H LYS A 75 -14.284 5.473 -21.065 1.00 0.00 H new ATOM 0 HA LYS A 75 -14.865 3.452 -19.045 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -15.886 5.387 -18.004 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.553 6.053 -18.928 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -16.140 6.507 -20.843 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -17.463 5.899 -19.869 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.393 7.695 -18.096 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -15.932 8.469 -19.599 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -18.329 8.354 -20.390 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -18.788 7.585 -18.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -19.055 10.009 -18.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.859 9.491 -17.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -17.414 10.236 -19.119 1.00 0.00 H new ATOM 650 N ALA A 76 -17.072 3.884 -21.365 1.00 0.00 N ATOM 651 CA ALA A 76 -18.368 3.328 -21.849 1.00 0.00 C ATOM 652 C ALA A 76 -18.348 1.807 -21.702 1.00 0.00 C ATOM 653 O ALA A 76 -19.190 1.221 -21.052 1.00 0.00 O ATOM 654 CB ALA A 76 -18.451 3.724 -23.323 1.00 0.00 C ATOM 0 H ALA A 76 -16.569 4.467 -22.034 1.00 0.00 H new ATOM 0 HA ALA A 76 -19.223 3.703 -21.287 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -19.381 3.348 -23.749 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -18.425 4.810 -23.410 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -17.606 3.296 -23.863 1.00 0.00 H new ATOM 660 N ARG A 77 -17.377 1.168 -22.293 1.00 0.00 N ATOM 661 CA ARG A 77 -17.276 -0.314 -22.184 1.00 0.00 C ATOM 662 C ARG A 77 -16.302 -0.678 -21.061 1.00 0.00 C ATOM 663 O ARG A 77 -16.618 -1.446 -20.175 1.00 0.00 O ATOM 664 CB ARG A 77 -16.732 -0.770 -23.539 1.00 0.00 C ATOM 665 CG ARG A 77 -17.054 -2.250 -23.751 1.00 0.00 C ATOM 666 CD ARG A 77 -17.456 -2.479 -25.209 1.00 0.00 C ATOM 667 NE ARG A 77 -18.903 -2.137 -25.266 1.00 0.00 N ATOM 668 CZ ARG A 77 -19.668 -2.689 -26.167 1.00 0.00 C ATOM 669 NH1 ARG A 77 -19.585 -3.971 -26.395 1.00 0.00 N ATOM 670 NH2 ARG A 77 -20.515 -1.959 -26.840 1.00 0.00 N ATOM 0 H ARG A 77 -16.646 1.611 -22.849 1.00 0.00 H new ATOM 0 HA ARG A 77 -18.230 -0.788 -21.952 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -17.173 -0.174 -24.338 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -15.654 -0.613 -23.581 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -16.187 -2.862 -23.501 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -17.862 -2.556 -23.087 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -16.875 -1.849 -25.883 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -17.282 -3.512 -25.509 1.00 0.00 H new ATOM 0 HE ARG A 77 -19.297 -1.471 -24.601 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -18.922 -4.541 -25.869 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -20.183 -4.403 -27.099 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -20.579 -0.957 -26.662 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -21.113 -2.391 -27.544 1.00 0.00 H new ATOM 684 N GLN A 78 -15.121 -0.120 -21.096 1.00 0.00 N ATOM 685 CA GLN A 78 -14.113 -0.415 -20.037 1.00 0.00 C ATOM 686 C GLN A 78 -12.823 0.363 -20.315 1.00 0.00 C ATOM 687 O GLN A 78 -12.329 0.384 -21.426 1.00 0.00 O ATOM 688 CB GLN A 78 -13.856 -1.918 -20.136 1.00 0.00 C ATOM 689 CG GLN A 78 -13.150 -2.222 -21.458 1.00 0.00 C ATOM 690 CD GLN A 78 -13.416 -3.675 -21.857 1.00 0.00 C ATOM 691 OE1 GLN A 78 -13.084 -4.587 -21.128 1.00 0.00 O ATOM 692 NE2 GLN A 78 -14.006 -3.929 -22.994 1.00 0.00 N ATOM 0 H GLN A 78 -14.810 0.531 -21.817 1.00 0.00 H new ATOM 0 HA GLN A 78 -14.460 -0.127 -19.045 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -13.243 -2.250 -19.298 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -14.797 -2.464 -20.079 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -13.508 -1.549 -22.237 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -12.078 -2.052 -21.357 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -14.285 -3.162 -23.606 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -14.188 -4.894 -23.270 1.00 0.00 H new ATOM 701 N GLY A 79 -12.271 1.000 -19.321 1.00 0.00 N ATOM 702 CA GLY A 79 -11.014 1.771 -19.539 1.00 0.00 C ATOM 703 C GLY A 79 -10.473 2.262 -18.195 1.00 0.00 C ATOM 704 O GLY A 79 -10.892 3.281 -17.682 1.00 0.00 O ATOM 0 H GLY A 79 -12.634 1.021 -18.368 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -10.272 1.144 -20.034 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -11.205 2.619 -20.197 1.00 0.00 H new ATOM 708 N GLY A 80 -9.544 1.547 -17.622 1.00 0.00 N ATOM 709 CA GLY A 80 -8.980 1.980 -16.314 1.00 0.00 C ATOM 710 C GLY A 80 -8.165 0.841 -15.698 1.00 0.00 C ATOM 711 O GLY A 80 -6.964 0.766 -15.863 1.00 0.00 O ATOM 0 H GLY A 80 -9.153 0.685 -18.002 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.349 2.858 -16.453 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -9.785 2.270 -15.639 1.00 0.00 H new ATOM 715 N ASP A 81 -8.806 -0.043 -14.983 1.00 0.00 N ATOM 716 CA ASP A 81 -8.059 -1.169 -14.353 1.00 0.00 C ATOM 717 C ASP A 81 -8.600 -2.517 -14.838 1.00 0.00 C ATOM 718 O ASP A 81 -9.794 -2.723 -14.924 1.00 0.00 O ATOM 719 CB ASP A 81 -8.294 -1.006 -12.851 1.00 0.00 C ATOM 720 CG ASP A 81 -7.471 0.172 -12.330 1.00 0.00 C ATOM 721 OD1 ASP A 81 -6.623 0.649 -13.066 1.00 0.00 O ATOM 722 OD2 ASP A 81 -7.701 0.577 -11.202 1.00 0.00 O ATOM 0 H ASP A 81 -9.811 -0.035 -14.808 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.000 -1.150 -14.608 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -9.353 -0.839 -12.654 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.013 -1.920 -12.327 1.00 0.00 H new ATOM 727 N LEU A 82 -7.727 -3.441 -15.138 1.00 0.00 N ATOM 728 CA LEU A 82 -8.187 -4.783 -15.597 1.00 0.00 C ATOM 729 C LEU A 82 -8.112 -5.775 -14.436 1.00 0.00 C ATOM 730 O LEU A 82 -7.465 -5.528 -13.438 1.00 0.00 O ATOM 731 CB LEU A 82 -7.217 -5.188 -16.709 1.00 0.00 C ATOM 732 CG LEU A 82 -7.452 -4.314 -17.940 1.00 0.00 C ATOM 733 CD1 LEU A 82 -6.909 -2.910 -17.680 1.00 0.00 C ATOM 734 CD2 LEU A 82 -6.725 -4.923 -19.141 1.00 0.00 C ATOM 0 H LEU A 82 -6.715 -3.324 -15.085 1.00 0.00 H new ATOM 0 HA LEU A 82 -9.218 -4.769 -15.951 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.188 -5.080 -16.365 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.359 -6.238 -16.964 1.00 0.00 H new ATOM 0 HG LEU A 82 -8.521 -4.259 -18.147 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -7.077 -2.287 -18.558 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.422 -2.474 -16.823 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.840 -2.966 -17.473 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.891 -4.301 -20.021 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -5.657 -4.976 -18.931 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -7.108 -5.926 -19.328 1.00 0.00 H new ATOM 746 N GLY A 83 -8.771 -6.894 -14.553 1.00 0.00 N ATOM 747 CA GLY A 83 -8.734 -7.894 -13.450 1.00 0.00 C ATOM 748 C GLY A 83 -7.365 -8.576 -13.426 1.00 0.00 C ATOM 749 O GLY A 83 -6.344 -7.959 -13.690 1.00 0.00 O ATOM 0 H GLY A 83 -9.332 -7.159 -15.363 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.925 -7.405 -12.495 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -9.520 -8.636 -13.591 1.00 0.00 H new ATOM 753 N TRP A 84 -7.335 -9.845 -13.117 1.00 0.00 N ATOM 754 CA TRP A 84 -6.036 -10.569 -13.080 1.00 0.00 C ATOM 755 C TRP A 84 -5.645 -11.010 -14.494 1.00 0.00 C ATOM 756 O TRP A 84 -6.472 -11.087 -15.380 1.00 0.00 O ATOM 757 CB TRP A 84 -6.270 -11.788 -12.184 1.00 0.00 C ATOM 758 CG TRP A 84 -6.568 -11.335 -10.791 1.00 0.00 C ATOM 759 CD1 TRP A 84 -7.807 -11.108 -10.302 1.00 0.00 C ATOM 760 CD2 TRP A 84 -5.640 -11.054 -9.702 1.00 0.00 C ATOM 761 NE1 TRP A 84 -7.701 -10.702 -8.983 1.00 0.00 N ATOM 762 CE2 TRP A 84 -6.386 -10.654 -8.568 1.00 0.00 C ATOM 763 CE3 TRP A 84 -4.238 -11.106 -9.589 1.00 0.00 C ATOM 764 CZ2 TRP A 84 -5.764 -10.318 -7.364 1.00 0.00 C ATOM 765 CZ3 TRP A 84 -3.610 -10.768 -8.378 1.00 0.00 C ATOM 766 CH2 TRP A 84 -4.371 -10.375 -7.269 1.00 0.00 C ATOM 0 H TRP A 84 -8.154 -10.409 -12.889 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.228 -9.943 -12.700 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -7.099 -12.382 -12.569 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -5.389 -12.430 -12.188 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.730 -11.224 -10.851 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -8.497 -10.467 -8.390 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -3.642 -11.407 -10.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -6.355 -10.016 -6.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -2.534 -10.811 -8.302 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -3.881 -10.116 -6.342 1.00 0.00 H new ATOM 777 N MET A 85 -4.392 -11.302 -14.712 1.00 0.00 N ATOM 778 CA MET A 85 -3.951 -11.738 -16.070 1.00 0.00 C ATOM 779 C MET A 85 -2.964 -12.900 -15.946 1.00 0.00 C ATOM 780 O MET A 85 -2.167 -12.950 -15.029 1.00 0.00 O ATOM 781 CB MET A 85 -3.269 -10.511 -16.675 1.00 0.00 C ATOM 782 CG MET A 85 -2.813 -10.833 -18.098 1.00 0.00 C ATOM 783 SD MET A 85 -4.011 -10.165 -19.280 1.00 0.00 S ATOM 784 CE MET A 85 -5.255 -11.466 -19.102 1.00 0.00 C ATOM 0 H MET A 85 -3.654 -11.258 -14.010 1.00 0.00 H new ATOM 0 HA MET A 85 -4.778 -12.086 -16.688 1.00 0.00 H new ATOM 0 HB2 MET A 85 -3.958 -9.666 -16.685 1.00 0.00 H new ATOM 0 HB3 MET A 85 -2.414 -10.219 -16.065 1.00 0.00 H new ATOM 0 HG2 MET A 85 -1.827 -10.405 -18.281 1.00 0.00 H new ATOM 0 HG3 MET A 85 -2.721 -11.911 -18.227 1.00 0.00 H new ATOM 0 HE1 MET A 85 -5.832 -11.546 -20.023 1.00 0.00 H new ATOM 0 HE2 MET A 85 -4.761 -12.416 -18.900 1.00 0.00 H new ATOM 0 HE3 MET A 85 -5.922 -11.221 -18.276 1.00 0.00 H new ATOM 794 N THR A 86 -3.009 -13.843 -16.849 1.00 0.00 N ATOM 795 CA THR A 86 -2.068 -14.994 -16.750 1.00 0.00 C ATOM 796 C THR A 86 -1.366 -15.270 -18.088 1.00 0.00 C ATOM 797 O THR A 86 -0.172 -15.486 -18.128 1.00 0.00 O ATOM 798 CB THR A 86 -2.939 -16.187 -16.346 1.00 0.00 C ATOM 799 OG1 THR A 86 -2.111 -17.316 -16.116 1.00 0.00 O ATOM 800 CG2 THR A 86 -3.937 -16.504 -17.460 1.00 0.00 C ATOM 0 H THR A 86 -3.650 -13.866 -17.642 1.00 0.00 H new ATOM 0 HA THR A 86 -1.274 -14.795 -16.030 1.00 0.00 H new ATOM 0 HB THR A 86 -3.486 -15.941 -15.436 1.00 0.00 H new ATOM 0 HG1 THR A 86 -2.666 -18.081 -15.856 1.00 0.00 H new ATOM 0 HG21 THR A 86 -4.553 -17.354 -17.166 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.574 -15.637 -17.635 1.00 0.00 H new ATOM 0 HG23 THR A 86 -3.396 -16.748 -18.375 1.00 0.00 H new ATOM 808 N ARG A 87 -2.087 -15.301 -19.180 1.00 0.00 N ATOM 809 CA ARG A 87 -1.420 -15.608 -20.481 1.00 0.00 C ATOM 810 C ARG A 87 -1.511 -14.450 -21.484 1.00 0.00 C ATOM 811 O ARG A 87 -0.921 -14.512 -22.539 1.00 0.00 O ATOM 812 CB ARG A 87 -2.158 -16.833 -21.015 1.00 0.00 C ATOM 813 CG ARG A 87 -1.515 -18.092 -20.435 1.00 0.00 C ATOM 814 CD ARG A 87 -1.280 -19.115 -21.547 1.00 0.00 C ATOM 815 NE ARG A 87 0.197 -19.299 -21.586 1.00 0.00 N ATOM 816 CZ ARG A 87 0.940 -18.471 -22.268 1.00 0.00 C ATOM 817 NH1 ARG A 87 1.023 -18.587 -23.565 1.00 0.00 N ATOM 818 NH2 ARG A 87 1.600 -17.529 -21.653 1.00 0.00 N ATOM 0 H ARG A 87 -3.091 -15.130 -19.228 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.353 -15.778 -20.338 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -3.212 -16.787 -20.740 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -2.113 -16.855 -22.104 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.569 -17.840 -19.955 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -2.159 -18.519 -19.666 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -1.791 -20.054 -21.335 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.659 -18.755 -22.503 1.00 0.00 H new ATOM 0 HE ARG A 87 0.628 -20.072 -21.080 1.00 0.00 H new ATOM 0 HH11 ARG A 87 0.507 -19.325 -24.045 1.00 0.00 H new ATOM 0 HH12 ARG A 87 1.604 -17.940 -24.099 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.535 -17.440 -20.639 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.181 -16.882 -22.186 1.00 0.00 H new ATOM 832 N GLY A 88 -2.227 -13.401 -21.185 1.00 0.00 N ATOM 833 CA GLY A 88 -2.308 -12.276 -22.167 1.00 0.00 C ATOM 834 C GLY A 88 -3.747 -12.062 -22.620 1.00 0.00 C ATOM 835 O GLY A 88 -4.679 -12.594 -22.050 1.00 0.00 O ATOM 0 H GLY A 88 -2.752 -13.272 -20.320 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.924 -11.362 -21.714 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -1.678 -12.493 -23.030 1.00 0.00 H new ATOM 839 N SER A 89 -3.931 -11.275 -23.645 1.00 0.00 N ATOM 840 CA SER A 89 -5.304 -11.008 -24.145 1.00 0.00 C ATOM 841 C SER A 89 -5.408 -11.328 -25.636 1.00 0.00 C ATOM 842 O SER A 89 -5.787 -12.419 -26.019 1.00 0.00 O ATOM 843 CB SER A 89 -5.530 -9.516 -23.902 1.00 0.00 C ATOM 844 OG SER A 89 -6.735 -9.115 -24.543 1.00 0.00 O ATOM 0 H SER A 89 -3.185 -10.805 -24.158 1.00 0.00 H new ATOM 0 HA SER A 89 -6.048 -11.625 -23.641 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.588 -9.314 -22.832 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.689 -8.941 -24.289 1.00 0.00 H new ATOM 0 HG SER A 89 -6.885 -8.159 -24.389 1.00 0.00 H new ATOM 850 N MET A 90 -5.123 -10.378 -26.485 1.00 0.00 N ATOM 851 CA MET A 90 -5.262 -10.642 -27.953 1.00 0.00 C ATOM 852 C MET A 90 -4.230 -9.871 -28.801 1.00 0.00 C ATOM 853 O MET A 90 -3.200 -10.403 -29.157 1.00 0.00 O ATOM 854 CB MET A 90 -6.680 -10.167 -28.278 1.00 0.00 C ATOM 855 CG MET A 90 -7.674 -10.904 -27.381 1.00 0.00 C ATOM 856 SD MET A 90 -9.364 -10.507 -27.895 1.00 0.00 S ATOM 857 CE MET A 90 -9.488 -8.911 -27.050 1.00 0.00 C ATOM 0 H MET A 90 -4.804 -9.442 -26.235 1.00 0.00 H new ATOM 0 HA MET A 90 -5.087 -11.693 -28.185 1.00 0.00 H new ATOM 0 HB2 MET A 90 -6.761 -9.091 -28.123 1.00 0.00 H new ATOM 0 HB3 MET A 90 -6.908 -10.356 -29.327 1.00 0.00 H new ATOM 0 HG2 MET A 90 -7.507 -11.979 -27.443 1.00 0.00 H new ATOM 0 HG3 MET A 90 -7.523 -10.617 -26.340 1.00 0.00 H new ATOM 0 HE1 MET A 90 -10.210 -8.985 -26.237 1.00 0.00 H new ATOM 0 HE2 MET A 90 -8.514 -8.637 -26.646 1.00 0.00 H new ATOM 0 HE3 MET A 90 -9.815 -8.149 -27.758 1.00 0.00 H new ATOM 867 N VAL A 91 -4.540 -8.637 -29.144 1.00 0.00 N ATOM 868 CA VAL A 91 -3.645 -7.778 -30.001 1.00 0.00 C ATOM 869 C VAL A 91 -2.256 -8.399 -30.245 1.00 0.00 C ATOM 870 O VAL A 91 -1.865 -8.612 -31.375 1.00 0.00 O ATOM 871 CB VAL A 91 -3.571 -6.439 -29.240 1.00 0.00 C ATOM 872 CG1 VAL A 91 -2.161 -5.844 -29.289 1.00 0.00 C ATOM 873 CG2 VAL A 91 -4.543 -5.450 -29.886 1.00 0.00 C ATOM 0 H VAL A 91 -5.403 -8.175 -28.857 1.00 0.00 H new ATOM 0 HA VAL A 91 -4.042 -7.662 -31.009 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.832 -6.622 -28.198 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.145 -4.901 -28.743 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.457 -6.540 -28.833 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.876 -5.667 -30.326 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.500 -4.498 -29.356 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.267 -5.297 -30.929 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.556 -5.849 -29.834 1.00 0.00 H new ATOM 883 N GLY A 92 -1.503 -8.686 -29.217 1.00 0.00 N ATOM 884 CA GLY A 92 -0.150 -9.280 -29.439 1.00 0.00 C ATOM 885 C GLY A 92 0.912 -8.431 -28.733 1.00 0.00 C ATOM 886 O GLY A 92 1.448 -8.833 -27.720 1.00 0.00 O ATOM 0 H GLY A 92 -1.761 -8.537 -28.242 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.124 -10.301 -29.059 1.00 0.00 H new ATOM 0 HA3 GLY A 92 0.064 -9.332 -30.507 1.00 0.00 H new ATOM 890 N PRO A 93 1.172 -7.274 -29.285 1.00 0.00 N ATOM 891 CA PRO A 93 2.171 -6.349 -28.687 1.00 0.00 C ATOM 892 C PRO A 93 1.692 -5.913 -27.304 1.00 0.00 C ATOM 893 O PRO A 93 2.464 -5.780 -26.375 1.00 0.00 O ATOM 894 CB PRO A 93 2.202 -5.175 -29.669 1.00 0.00 C ATOM 895 CG PRO A 93 0.881 -5.240 -30.361 1.00 0.00 C ATOM 896 CD PRO A 93 0.569 -6.707 -30.495 1.00 0.00 C ATOM 0 HA PRO A 93 3.158 -6.789 -28.546 1.00 0.00 H new ATOM 0 HB2 PRO A 93 2.333 -4.225 -29.150 1.00 0.00 H new ATOM 0 HB3 PRO A 93 3.027 -5.269 -30.376 1.00 0.00 H new ATOM 0 HG2 PRO A 93 0.111 -4.726 -29.786 1.00 0.00 H new ATOM 0 HG3 PRO A 93 0.925 -4.757 -31.337 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -0.505 -6.891 -30.537 1.00 0.00 H new ATOM 0 HD3 PRO A 93 1.001 -7.132 -31.401 1.00 0.00 H new ATOM 904 N PHE A 94 0.413 -5.718 -27.164 1.00 0.00 N ATOM 905 CA PHE A 94 -0.151 -5.320 -25.846 1.00 0.00 C ATOM 906 C PHE A 94 0.167 -6.402 -24.814 1.00 0.00 C ATOM 907 O PHE A 94 0.385 -6.127 -23.651 1.00 0.00 O ATOM 908 CB PHE A 94 -1.661 -5.236 -26.082 1.00 0.00 C ATOM 909 CG PHE A 94 -2.358 -4.849 -24.802 1.00 0.00 C ATOM 910 CD1 PHE A 94 -2.512 -3.499 -24.467 1.00 0.00 C ATOM 911 CD2 PHE A 94 -2.854 -5.842 -23.950 1.00 0.00 C ATOM 912 CE1 PHE A 94 -3.162 -3.141 -23.281 1.00 0.00 C ATOM 913 CE2 PHE A 94 -3.505 -5.485 -22.764 1.00 0.00 C ATOM 914 CZ PHE A 94 -3.659 -4.133 -22.429 1.00 0.00 C ATOM 0 H PHE A 94 -0.272 -5.818 -27.913 1.00 0.00 H new ATOM 0 HA PHE A 94 0.257 -4.380 -25.473 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -1.876 -4.503 -26.860 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -2.037 -6.196 -26.435 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -2.129 -2.733 -25.125 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -2.734 -6.884 -24.208 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -3.280 -2.099 -23.023 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.889 -6.251 -22.107 1.00 0.00 H new ATOM 0 HZ PHE A 94 -4.161 -3.857 -21.514 1.00 0.00 H new ATOM 924 N GLN A 95 0.195 -7.637 -25.242 1.00 0.00 N ATOM 925 CA GLN A 95 0.498 -8.754 -24.302 1.00 0.00 C ATOM 926 C GLN A 95 1.993 -8.786 -23.987 1.00 0.00 C ATOM 927 O GLN A 95 2.396 -8.935 -22.850 1.00 0.00 O ATOM 928 CB GLN A 95 0.089 -10.026 -25.049 1.00 0.00 C ATOM 929 CG GLN A 95 0.433 -11.245 -24.191 1.00 0.00 C ATOM 930 CD GLN A 95 0.427 -12.505 -25.060 1.00 0.00 C ATOM 931 OE1 GLN A 95 0.816 -12.467 -26.211 1.00 0.00 O ATOM 932 NE2 GLN A 95 -0.007 -13.626 -24.550 1.00 0.00 N ATOM 0 H GLN A 95 0.020 -7.920 -26.206 1.00 0.00 H new ATOM 0 HA GLN A 95 -0.030 -8.647 -23.354 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -0.979 -10.008 -25.265 1.00 0.00 H new ATOM 0 HB3 GLN A 95 0.607 -10.082 -26.007 1.00 0.00 H new ATOM 0 HG2 GLN A 95 1.412 -11.113 -23.731 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -0.289 -11.347 -23.381 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.333 -13.654 -23.584 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -0.020 -14.473 -25.118 1.00 0.00 H new ATOM 941 N GLU A 96 2.817 -8.654 -24.987 1.00 0.00 N ATOM 942 CA GLU A 96 4.287 -8.683 -24.754 1.00 0.00 C ATOM 943 C GLU A 96 4.689 -7.625 -23.724 1.00 0.00 C ATOM 944 O GLU A 96 5.495 -7.869 -22.853 1.00 0.00 O ATOM 945 CB GLU A 96 4.906 -8.371 -26.117 1.00 0.00 C ATOM 946 CG GLU A 96 4.719 -9.573 -27.044 1.00 0.00 C ATOM 947 CD GLU A 96 5.510 -9.352 -28.334 1.00 0.00 C ATOM 948 OE1 GLU A 96 5.174 -8.431 -29.062 1.00 0.00 O ATOM 949 OE2 GLU A 96 6.439 -10.107 -28.572 1.00 0.00 O ATOM 0 H GLU A 96 2.535 -8.527 -25.959 1.00 0.00 H new ATOM 0 HA GLU A 96 4.623 -9.643 -24.361 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.436 -7.487 -26.549 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.966 -8.145 -26.005 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.058 -10.483 -26.549 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.662 -9.708 -27.272 1.00 0.00 H new ATOM 956 N ALA A 97 4.147 -6.450 -23.809 1.00 0.00 N ATOM 957 CA ALA A 97 4.531 -5.408 -22.823 1.00 0.00 C ATOM 958 C ALA A 97 3.763 -5.594 -21.512 1.00 0.00 C ATOM 959 O ALA A 97 4.338 -5.754 -20.456 1.00 0.00 O ATOM 960 CB ALA A 97 4.155 -4.079 -23.479 1.00 0.00 C ATOM 0 H ALA A 97 3.462 -6.165 -24.509 1.00 0.00 H new ATOM 0 HA ALA A 97 5.591 -5.456 -22.574 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.409 -3.258 -22.809 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.703 -3.967 -24.414 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.084 -4.064 -23.682 1.00 0.00 H new ATOM 966 N ALA A 98 2.467 -5.560 -21.565 1.00 0.00 N ATOM 967 CA ALA A 98 1.675 -5.712 -20.315 1.00 0.00 C ATOM 968 C ALA A 98 2.111 -6.944 -19.508 1.00 0.00 C ATOM 969 O ALA A 98 2.062 -6.937 -18.294 1.00 0.00 O ATOM 970 CB ALA A 98 0.226 -5.856 -20.781 1.00 0.00 C ATOM 0 H ALA A 98 1.920 -5.434 -22.416 1.00 0.00 H new ATOM 0 HA ALA A 98 1.816 -4.860 -19.650 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -0.425 -5.973 -19.915 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -0.067 -4.966 -21.338 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.136 -6.732 -21.424 1.00 0.00 H new ATOM 976 N PHE A 99 2.507 -8.011 -20.151 1.00 0.00 N ATOM 977 CA PHE A 99 2.897 -9.223 -19.369 1.00 0.00 C ATOM 978 C PHE A 99 4.369 -9.609 -19.581 1.00 0.00 C ATOM 979 O PHE A 99 5.078 -9.902 -18.639 1.00 0.00 O ATOM 980 CB PHE A 99 1.983 -10.333 -19.886 1.00 0.00 C ATOM 981 CG PHE A 99 1.649 -11.267 -18.747 1.00 0.00 C ATOM 982 CD1 PHE A 99 0.592 -10.963 -17.882 1.00 0.00 C ATOM 983 CD2 PHE A 99 2.402 -12.432 -18.550 1.00 0.00 C ATOM 984 CE1 PHE A 99 0.288 -11.821 -16.819 1.00 0.00 C ATOM 985 CE2 PHE A 99 2.096 -13.291 -17.488 1.00 0.00 C ATOM 986 CZ PHE A 99 1.040 -12.985 -16.622 1.00 0.00 C ATOM 0 H PHE A 99 2.577 -8.097 -21.165 1.00 0.00 H new ATOM 0 HA PHE A 99 2.791 -9.045 -18.299 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.071 -9.906 -20.302 1.00 0.00 H new ATOM 0 HB3 PHE A 99 2.474 -10.881 -20.690 1.00 0.00 H new ATOM 0 HD1 PHE A 99 0.011 -10.066 -18.035 1.00 0.00 H new ATOM 0 HD2 PHE A 99 3.218 -12.667 -19.217 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -0.527 -11.585 -16.151 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.675 -14.190 -17.337 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.805 -13.647 -15.802 1.00 0.00 H new ATOM 996 N ALA A 100 4.830 -9.645 -20.803 1.00 0.00 N ATOM 997 CA ALA A 100 6.251 -10.052 -21.045 1.00 0.00 C ATOM 998 C ALA A 100 7.228 -8.925 -20.692 1.00 0.00 C ATOM 999 O ALA A 100 8.423 -9.138 -20.625 1.00 0.00 O ATOM 1000 CB ALA A 100 6.337 -10.393 -22.534 1.00 0.00 C ATOM 0 H ALA A 100 4.293 -9.413 -21.639 1.00 0.00 H new ATOM 0 HA ALA A 100 6.527 -10.899 -20.417 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.354 -10.700 -22.779 1.00 0.00 H new ATOM 0 HB2 ALA A 100 5.648 -11.206 -22.761 1.00 0.00 H new ATOM 0 HB3 ALA A 100 6.070 -9.516 -23.124 1.00 0.00 H new ATOM 1006 N LEU A 101 6.747 -7.735 -20.459 1.00 0.00 N ATOM 1007 CA LEU A 101 7.684 -6.630 -20.106 1.00 0.00 C ATOM 1008 C LEU A 101 8.520 -7.040 -18.890 1.00 0.00 C ATOM 1009 O LEU A 101 8.027 -7.685 -17.986 1.00 0.00 O ATOM 1010 CB LEU A 101 6.795 -5.428 -19.785 1.00 0.00 C ATOM 1011 CG LEU A 101 7.658 -4.255 -19.329 1.00 0.00 C ATOM 1012 CD1 LEU A 101 7.977 -3.371 -20.534 1.00 0.00 C ATOM 1013 CD2 LEU A 101 6.893 -3.433 -18.290 1.00 0.00 C ATOM 0 H LEU A 101 5.760 -7.481 -20.497 1.00 0.00 H new ATOM 0 HA LEU A 101 8.381 -6.396 -20.911 1.00 0.00 H new ATOM 0 HB2 LEU A 101 6.217 -5.146 -20.665 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.080 -5.690 -19.005 1.00 0.00 H new ATOM 0 HG LEU A 101 8.582 -4.629 -18.889 1.00 0.00 H new ATOM 0 HD11 LEU A 101 8.594 -2.530 -20.216 1.00 0.00 H new ATOM 0 HD12 LEU A 101 8.516 -3.954 -21.281 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.049 -2.997 -20.967 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.509 -2.595 -17.964 1.00 0.00 H new ATOM 0 HD22 LEU A 101 5.971 -3.055 -18.732 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.653 -4.062 -17.433 1.00 0.00 H new ATOM 1138 N VAL A 110 7.311 -0.723 -12.385 1.00 0.00 N ATOM 1139 CA VAL A 110 6.585 -1.692 -13.252 1.00 0.00 C ATOM 1140 C VAL A 110 5.511 -0.971 -14.058 1.00 0.00 C ATOM 1141 O VAL A 110 4.460 -1.510 -14.340 1.00 0.00 O ATOM 1142 CB VAL A 110 5.949 -2.691 -12.290 1.00 0.00 C ATOM 1143 CG1 VAL A 110 7.048 -3.410 -11.515 1.00 0.00 C ATOM 1144 CG2 VAL A 110 5.038 -1.949 -11.309 1.00 0.00 C ATOM 0 HA VAL A 110 7.247 -2.182 -13.966 1.00 0.00 H new ATOM 0 HB VAL A 110 5.361 -3.416 -12.853 1.00 0.00 H new ATOM 0 HG11 VAL A 110 6.599 -4.125 -10.826 1.00 0.00 H new ATOM 0 HG12 VAL A 110 7.699 -3.937 -12.212 1.00 0.00 H new ATOM 0 HG13 VAL A 110 7.632 -2.682 -10.952 1.00 0.00 H new ATOM 0 HG21 VAL A 110 4.584 -2.664 -10.622 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.625 -1.225 -10.744 1.00 0.00 H new ATOM 0 HG23 VAL A 110 4.255 -1.429 -11.861 1.00 0.00 H new ATOM 1154 N PHE A 111 5.768 0.248 -14.433 1.00 0.00 N ATOM 1155 CA PHE A 111 4.764 1.005 -15.222 1.00 0.00 C ATOM 1156 C PHE A 111 5.250 1.162 -16.666 1.00 0.00 C ATOM 1157 O PHE A 111 6.394 1.491 -16.911 1.00 0.00 O ATOM 1158 CB PHE A 111 4.672 2.364 -14.528 1.00 0.00 C ATOM 1159 CG PHE A 111 3.380 3.051 -14.895 1.00 0.00 C ATOM 1160 CD1 PHE A 111 2.184 2.684 -14.263 1.00 0.00 C ATOM 1161 CD2 PHE A 111 3.381 4.062 -15.860 1.00 0.00 C ATOM 1162 CE1 PHE A 111 0.989 3.333 -14.601 1.00 0.00 C ATOM 1163 CE2 PHE A 111 2.187 4.711 -16.196 1.00 0.00 C ATOM 1164 CZ PHE A 111 0.992 4.346 -15.567 1.00 0.00 C ATOM 0 H PHE A 111 6.630 0.752 -14.227 1.00 0.00 H new ATOM 0 HA PHE A 111 3.796 0.506 -15.266 1.00 0.00 H new ATOM 0 HB2 PHE A 111 4.728 2.233 -13.447 1.00 0.00 H new ATOM 0 HB3 PHE A 111 5.518 2.987 -14.818 1.00 0.00 H new ATOM 0 HD1 PHE A 111 2.183 1.903 -13.517 1.00 0.00 H new ATOM 0 HD2 PHE A 111 4.303 4.343 -16.347 1.00 0.00 H new ATOM 0 HE1 PHE A 111 0.066 3.052 -14.116 1.00 0.00 H new ATOM 0 HE2 PHE A 111 2.188 5.493 -16.941 1.00 0.00 H new ATOM 0 HZ PHE A 111 0.071 4.846 -15.827 1.00 0.00 H new ATOM 1174 N THR A 112 4.397 0.926 -17.626 1.00 0.00 N ATOM 1175 CA THR A 112 4.823 1.060 -19.051 1.00 0.00 C ATOM 1176 C THR A 112 5.438 2.440 -19.297 1.00 0.00 C ATOM 1177 O THR A 112 4.747 3.394 -19.592 1.00 0.00 O ATOM 1178 CB THR A 112 3.539 0.896 -19.866 1.00 0.00 C ATOM 1179 OG1 THR A 112 2.790 -0.197 -19.354 1.00 0.00 O ATOM 1180 CG2 THR A 112 3.893 0.632 -21.331 1.00 0.00 C ATOM 0 H THR A 112 3.426 0.647 -17.487 1.00 0.00 H new ATOM 0 HA THR A 112 5.579 0.323 -19.324 1.00 0.00 H new ATOM 0 HB THR A 112 2.946 1.808 -19.796 1.00 0.00 H new ATOM 0 HG1 THR A 112 2.807 -0.935 -19.998 1.00 0.00 H new ATOM 0 HG21 THR A 112 2.978 0.515 -21.911 1.00 0.00 H new ATOM 0 HG22 THR A 112 4.467 1.471 -21.724 1.00 0.00 H new ATOM 0 HG23 THR A 112 4.487 -0.279 -21.403 1.00 0.00 H new ATOM 1188 N ASP A 113 6.733 2.552 -19.181 1.00 0.00 N ATOM 1189 CA ASP A 113 7.389 3.872 -19.413 1.00 0.00 C ATOM 1190 C ASP A 113 8.613 3.703 -20.329 1.00 0.00 C ATOM 1191 O ASP A 113 9.582 3.083 -19.939 1.00 0.00 O ATOM 1192 CB ASP A 113 7.825 4.342 -18.025 1.00 0.00 C ATOM 1193 CG ASP A 113 8.845 3.359 -17.447 1.00 0.00 C ATOM 1194 OD1 ASP A 113 8.786 2.196 -17.806 1.00 0.00 O ATOM 1195 OD2 ASP A 113 9.667 3.788 -16.654 1.00 0.00 O ATOM 0 H ASP A 113 7.365 1.789 -18.936 1.00 0.00 H new ATOM 0 HA ASP A 113 6.723 4.585 -19.899 1.00 0.00 H new ATOM 0 HB2 ASP A 113 8.261 5.339 -18.088 1.00 0.00 H new ATOM 0 HB3 ASP A 113 6.960 4.414 -17.366 1.00 0.00 H new ATOM 1200 N PRO A 114 8.542 4.257 -21.519 1.00 0.00 N ATOM 1201 CA PRO A 114 7.341 5.011 -21.969 1.00 0.00 C ATOM 1202 C PRO A 114 6.217 4.044 -22.353 1.00 0.00 C ATOM 1203 O PRO A 114 6.453 2.873 -22.572 1.00 0.00 O ATOM 1204 CB PRO A 114 7.832 5.767 -23.199 1.00 0.00 C ATOM 1205 CG PRO A 114 8.982 4.965 -23.719 1.00 0.00 C ATOM 1206 CD PRO A 114 9.587 4.232 -22.550 1.00 0.00 C ATOM 0 HA PRO A 114 6.937 5.667 -21.198 1.00 0.00 H new ATOM 0 HB2 PRO A 114 7.044 5.856 -23.947 1.00 0.00 H new ATOM 0 HB3 PRO A 114 8.143 6.779 -22.941 1.00 0.00 H new ATOM 0 HG2 PRO A 114 8.646 4.261 -24.480 1.00 0.00 H new ATOM 0 HG3 PRO A 114 9.721 5.614 -24.189 1.00 0.00 H new ATOM 0 HD2 PRO A 114 9.855 3.210 -22.818 1.00 0.00 H new ATOM 0 HD3 PRO A 114 10.498 4.720 -22.204 1.00 0.00 H new ATOM 1214 N PRO A 115 5.028 4.576 -22.433 1.00 0.00 N ATOM 1215 CA PRO A 115 3.852 3.756 -22.811 1.00 0.00 C ATOM 1216 C PRO A 115 3.905 3.419 -24.302 1.00 0.00 C ATOM 1217 O PRO A 115 4.820 3.806 -25.001 1.00 0.00 O ATOM 1218 CB PRO A 115 2.667 4.668 -22.504 1.00 0.00 C ATOM 1219 CG PRO A 115 3.219 6.055 -22.580 1.00 0.00 C ATOM 1220 CD PRO A 115 4.671 5.975 -22.185 1.00 0.00 C ATOM 0 HA PRO A 115 3.799 2.805 -22.281 1.00 0.00 H new ATOM 0 HB2 PRO A 115 1.861 4.524 -23.223 1.00 0.00 H new ATOM 0 HB3 PRO A 115 2.254 4.461 -21.517 1.00 0.00 H new ATOM 0 HG2 PRO A 115 3.115 6.456 -23.588 1.00 0.00 H new ATOM 0 HG3 PRO A 115 2.674 6.724 -21.913 1.00 0.00 H new ATOM 0 HD2 PRO A 115 5.284 6.655 -22.777 1.00 0.00 H new ATOM 0 HD3 PRO A 115 4.816 6.245 -21.139 1.00 0.00 H new ATOM 1228 N VAL A 116 2.933 2.704 -24.798 1.00 0.00 N ATOM 1229 CA VAL A 116 2.937 2.356 -26.248 1.00 0.00 C ATOM 1230 C VAL A 116 1.969 3.267 -27.008 1.00 0.00 C ATOM 1231 O VAL A 116 1.095 3.884 -26.428 1.00 0.00 O ATOM 1232 CB VAL A 116 2.474 0.900 -26.318 1.00 0.00 C ATOM 1233 CG1 VAL A 116 3.521 -0.007 -25.673 1.00 0.00 C ATOM 1234 CG2 VAL A 116 1.144 0.751 -25.575 1.00 0.00 C ATOM 0 H VAL A 116 2.140 2.347 -24.266 1.00 0.00 H new ATOM 0 HA VAL A 116 3.921 2.486 -26.699 1.00 0.00 H new ATOM 0 HB VAL A 116 2.344 0.614 -27.362 1.00 0.00 H new ATOM 0 HG11 VAL A 116 3.187 -1.043 -25.725 1.00 0.00 H new ATOM 0 HG12 VAL A 116 4.468 0.096 -26.203 1.00 0.00 H new ATOM 0 HG13 VAL A 116 3.656 0.278 -24.630 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.814 -0.287 -25.625 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.275 1.040 -24.532 1.00 0.00 H new ATOM 0 HG23 VAL A 116 0.395 1.393 -26.038 1.00 0.00 H new ATOM 1244 N LYS A 117 2.114 3.354 -28.300 1.00 0.00 N ATOM 1245 CA LYS A 117 1.202 4.220 -29.101 1.00 0.00 C ATOM 1246 C LYS A 117 0.648 3.419 -30.284 1.00 0.00 C ATOM 1247 O LYS A 117 1.392 2.939 -31.118 1.00 0.00 O ATOM 1248 CB LYS A 117 2.078 5.373 -29.592 1.00 0.00 C ATOM 1249 CG LYS A 117 3.157 4.833 -30.531 1.00 0.00 C ATOM 1250 CD LYS A 117 4.202 5.921 -30.782 1.00 0.00 C ATOM 1251 CE LYS A 117 3.537 7.131 -31.441 1.00 0.00 C ATOM 1252 NZ LYS A 117 4.474 8.263 -31.202 1.00 0.00 N ATOM 0 H LYS A 117 2.827 2.862 -28.839 1.00 0.00 H new ATOM 0 HA LYS A 117 0.350 4.582 -28.525 1.00 0.00 H new ATOM 0 HB2 LYS A 117 1.467 6.112 -30.110 1.00 0.00 H new ATOM 0 HB3 LYS A 117 2.540 5.879 -28.744 1.00 0.00 H new ATOM 0 HG2 LYS A 117 3.629 3.954 -30.093 1.00 0.00 H new ATOM 0 HG3 LYS A 117 2.710 4.518 -31.474 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.667 6.217 -29.841 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.996 5.536 -31.423 1.00 0.00 H new ATOM 0 HE2 LYS A 117 3.383 6.965 -32.507 1.00 0.00 H new ATOM 0 HE3 LYS A 117 2.558 7.330 -31.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 4.086 9.130 -31.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.596 8.402 -30.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 5.395 8.048 -31.635 1.00 0.00 H new ATOM 1266 N THR A 118 -0.645 3.254 -30.366 1.00 0.00 N ATOM 1267 CA THR A 118 -1.220 2.463 -31.497 1.00 0.00 C ATOM 1268 C THR A 118 -2.234 3.295 -32.291 1.00 0.00 C ATOM 1269 O THR A 118 -2.444 4.462 -32.022 1.00 0.00 O ATOM 1270 CB THR A 118 -1.909 1.271 -30.833 1.00 0.00 C ATOM 1271 OG1 THR A 118 -2.811 1.745 -29.843 1.00 0.00 O ATOM 1272 CG2 THR A 118 -0.857 0.367 -30.182 1.00 0.00 C ATOM 0 H THR A 118 -1.325 3.629 -29.705 1.00 0.00 H new ATOM 0 HA THR A 118 -0.452 2.155 -32.207 1.00 0.00 H new ATOM 0 HB THR A 118 -2.457 0.700 -31.583 1.00 0.00 H new ATOM 0 HG1 THR A 118 -3.652 1.246 -29.901 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.350 -0.482 -29.709 1.00 0.00 H new ATOM 0 HG22 THR A 118 -0.165 0.007 -30.943 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.307 0.932 -29.430 1.00 0.00 H new ATOM 1280 N LYS A 119 -2.856 2.701 -33.277 1.00 0.00 N ATOM 1281 CA LYS A 119 -3.850 3.451 -34.100 1.00 0.00 C ATOM 1282 C LYS A 119 -5.128 3.720 -33.299 1.00 0.00 C ATOM 1283 O LYS A 119 -5.918 4.571 -33.653 1.00 0.00 O ATOM 1284 CB LYS A 119 -4.144 2.544 -35.297 1.00 0.00 C ATOM 1285 CG LYS A 119 -5.076 3.269 -36.272 1.00 0.00 C ATOM 1286 CD LYS A 119 -4.401 3.378 -37.641 1.00 0.00 C ATOM 1287 CE LYS A 119 -5.189 4.346 -38.527 1.00 0.00 C ATOM 1288 NZ LYS A 119 -4.488 4.324 -39.842 1.00 0.00 N ATOM 0 H LYS A 119 -2.718 1.727 -33.548 1.00 0.00 H new ATOM 0 HA LYS A 119 -3.469 4.424 -34.409 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.215 2.274 -35.799 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.605 1.616 -34.959 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -6.018 2.728 -36.362 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -5.314 4.263 -35.893 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -3.375 3.728 -37.525 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.351 2.396 -38.112 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.228 4.032 -38.628 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.200 5.350 -38.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -4.971 4.965 -40.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.503 4.635 -39.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.500 3.357 -40.225 1.00 0.00 H new ATOM 1302 N PHE A 120 -5.334 3.023 -32.213 1.00 0.00 N ATOM 1303 CA PHE A 120 -6.561 3.285 -31.401 1.00 0.00 C ATOM 1304 C PHE A 120 -6.203 4.190 -30.222 1.00 0.00 C ATOM 1305 O PHE A 120 -6.841 4.169 -29.188 1.00 0.00 O ATOM 1306 CB PHE A 120 -7.096 1.927 -30.907 1.00 0.00 C ATOM 1307 CG PHE A 120 -5.977 0.930 -30.712 1.00 0.00 C ATOM 1308 CD1 PHE A 120 -5.499 0.183 -31.795 1.00 0.00 C ATOM 1309 CD2 PHE A 120 -5.426 0.750 -29.442 1.00 0.00 C ATOM 1310 CE1 PHE A 120 -4.467 -0.744 -31.605 1.00 0.00 C ATOM 1311 CE2 PHE A 120 -4.395 -0.177 -29.249 1.00 0.00 C ATOM 1312 CZ PHE A 120 -3.915 -0.924 -30.330 1.00 0.00 C ATOM 0 H PHE A 120 -4.717 2.294 -31.856 1.00 0.00 H new ATOM 0 HA PHE A 120 -7.326 3.787 -31.994 1.00 0.00 H new ATOM 0 HB2 PHE A 120 -7.630 2.065 -29.967 1.00 0.00 H new ATOM 0 HB3 PHE A 120 -7.814 1.534 -31.627 1.00 0.00 H new ATOM 0 HD1 PHE A 120 -5.926 0.322 -32.777 1.00 0.00 H new ATOM 0 HD2 PHE A 120 -5.796 1.327 -28.607 1.00 0.00 H new ATOM 0 HE1 PHE A 120 -4.097 -1.320 -32.440 1.00 0.00 H new ATOM 0 HE2 PHE A 120 -3.970 -0.315 -28.266 1.00 0.00 H new ATOM 0 HZ PHE A 120 -3.119 -1.639 -30.182 1.00 0.00 H new ATOM 1322 N GLY A 121 -5.182 4.992 -30.377 1.00 0.00 N ATOM 1323 CA GLY A 121 -4.777 5.909 -29.273 1.00 0.00 C ATOM 1324 C GLY A 121 -3.537 5.350 -28.570 1.00 0.00 C ATOM 1325 O GLY A 121 -3.041 4.299 -28.919 1.00 0.00 O ATOM 0 H GLY A 121 -4.612 5.051 -31.221 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -4.566 6.902 -29.670 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -5.594 6.018 -28.559 1.00 0.00 H new ATOM 1329 N TYR A 122 -3.036 6.033 -27.573 1.00 0.00 N ATOM 1330 CA TYR A 122 -1.839 5.508 -26.855 1.00 0.00 C ATOM 1331 C TYR A 122 -2.273 4.813 -25.564 1.00 0.00 C ATOM 1332 O TYR A 122 -3.365 5.029 -25.074 1.00 0.00 O ATOM 1333 CB TYR A 122 -0.946 6.719 -26.570 1.00 0.00 C ATOM 1334 CG TYR A 122 -1.667 7.745 -25.722 1.00 0.00 C ATOM 1335 CD1 TYR A 122 -1.593 7.672 -24.327 1.00 0.00 C ATOM 1336 CD2 TYR A 122 -2.380 8.786 -26.330 1.00 0.00 C ATOM 1337 CE1 TYR A 122 -2.234 8.634 -23.538 1.00 0.00 C ATOM 1338 CE2 TYR A 122 -3.018 9.753 -25.538 1.00 0.00 C ATOM 1339 CZ TYR A 122 -2.946 9.675 -24.144 1.00 0.00 C ATOM 1340 OH TYR A 122 -3.574 10.627 -23.366 1.00 0.00 O ATOM 0 H TYR A 122 -3.400 6.922 -27.229 1.00 0.00 H new ATOM 0 HA TYR A 122 -1.298 4.768 -27.445 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -0.040 6.393 -26.059 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -0.636 7.174 -27.510 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -1.040 6.872 -23.858 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.439 8.844 -27.407 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -2.179 8.573 -22.461 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -3.565 10.558 -26.006 1.00 0.00 H new ATOM 0 HH TYR A 122 -3.575 10.336 -22.430 1.00 0.00 H new ATOM 1350 N HIS A 123 -1.451 3.952 -25.023 1.00 0.00 N ATOM 1351 CA HIS A 123 -1.869 3.229 -23.790 1.00 0.00 C ATOM 1352 C HIS A 123 -0.791 3.235 -22.707 1.00 0.00 C ATOM 1353 O HIS A 123 0.380 3.041 -22.964 1.00 0.00 O ATOM 1354 CB HIS A 123 -2.112 1.793 -24.243 1.00 0.00 C ATOM 1355 CG HIS A 123 -3.048 1.785 -25.413 1.00 0.00 C ATOM 1356 ND1 HIS A 123 -4.381 1.439 -25.287 1.00 0.00 N ATOM 1357 CD2 HIS A 123 -2.856 2.076 -26.740 1.00 0.00 C ATOM 1358 CE1 HIS A 123 -4.937 1.529 -26.506 1.00 0.00 C ATOM 1359 NE2 HIS A 123 -4.052 1.913 -27.429 1.00 0.00 N ATOM 0 H HIS A 123 -0.522 3.722 -25.376 1.00 0.00 H new ATOM 0 HA HIS A 123 -2.744 3.707 -23.350 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -1.168 1.323 -24.517 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -2.533 1.209 -23.424 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -1.920 2.384 -27.181 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -5.975 1.316 -26.715 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -4.218 2.056 -28.425 1.00 0.00 H new ATOM 1367 N ILE A 124 -1.211 3.399 -21.487 1.00 0.00 N ATOM 1368 CA ILE A 124 -0.270 3.357 -20.339 1.00 0.00 C ATOM 1369 C ILE A 124 -0.662 2.145 -19.491 1.00 0.00 C ATOM 1370 O ILE A 124 -1.831 1.888 -19.298 1.00 0.00 O ATOM 1371 CB ILE A 124 -0.502 4.660 -19.574 1.00 0.00 C ATOM 1372 CG1 ILE A 124 -0.049 5.850 -20.425 1.00 0.00 C ATOM 1373 CG2 ILE A 124 0.306 4.634 -18.278 1.00 0.00 C ATOM 1374 CD1 ILE A 124 -1.117 6.172 -21.472 1.00 0.00 C ATOM 0 H ILE A 124 -2.185 3.563 -21.233 1.00 0.00 H new ATOM 0 HA ILE A 124 0.779 3.268 -20.622 1.00 0.00 H new ATOM 0 HB ILE A 124 -1.564 4.760 -19.348 1.00 0.00 H new ATOM 0 HG12 ILE A 124 0.125 6.719 -19.790 1.00 0.00 H new ATOM 0 HG13 ILE A 124 0.897 5.620 -20.915 1.00 0.00 H new ATOM 0 HG21 ILE A 124 0.143 5.562 -17.729 1.00 0.00 H new ATOM 0 HG22 ILE A 124 -0.014 3.790 -17.667 1.00 0.00 H new ATOM 0 HG23 ILE A 124 1.366 4.532 -18.512 1.00 0.00 H new ATOM 0 HD11 ILE A 124 -0.791 7.019 -22.075 1.00 0.00 H new ATOM 0 HD12 ILE A 124 -1.269 5.305 -22.115 1.00 0.00 H new ATOM 0 HD13 ILE A 124 -2.053 6.421 -20.972 1.00 0.00 H new ATOM 1386 N ILE A 125 0.270 1.367 -19.016 1.00 0.00 N ATOM 1387 CA ILE A 125 -0.141 0.161 -18.232 1.00 0.00 C ATOM 1388 C ILE A 125 0.653 0.023 -16.931 1.00 0.00 C ATOM 1389 O ILE A 125 1.818 0.359 -16.853 1.00 0.00 O ATOM 1390 CB ILE A 125 0.137 -1.050 -19.140 1.00 0.00 C ATOM 1391 CG1 ILE A 125 0.139 -0.630 -20.618 1.00 0.00 C ATOM 1392 CG2 ILE A 125 -0.951 -2.104 -18.919 1.00 0.00 C ATOM 1393 CD1 ILE A 125 0.274 -1.866 -21.509 1.00 0.00 C ATOM 0 H ILE A 125 1.274 1.505 -19.130 1.00 0.00 H new ATOM 0 HA ILE A 125 -1.190 0.237 -17.948 1.00 0.00 H new ATOM 0 HB ILE A 125 1.116 -1.459 -18.890 1.00 0.00 H new ATOM 0 HG12 ILE A 125 -0.782 -0.098 -20.855 1.00 0.00 H new ATOM 0 HG13 ILE A 125 0.962 0.058 -20.809 1.00 0.00 H new ATOM 0 HG21 ILE A 125 -0.759 -2.965 -19.560 1.00 0.00 H new ATOM 0 HG22 ILE A 125 -0.945 -2.420 -17.876 1.00 0.00 H new ATOM 0 HG23 ILE A 125 -1.924 -1.679 -19.164 1.00 0.00 H new ATOM 0 HD11 ILE A 125 0.275 -1.562 -22.556 1.00 0.00 H new ATOM 0 HD12 ILE A 125 1.208 -2.380 -21.280 1.00 0.00 H new ATOM 0 HD13 ILE A 125 -0.564 -2.539 -21.327 1.00 0.00 H new ATOM 1405 N MET A 126 0.019 -0.502 -15.917 1.00 0.00 N ATOM 1406 CA MET A 126 0.707 -0.710 -14.613 1.00 0.00 C ATOM 1407 C MET A 126 0.528 -2.167 -14.186 1.00 0.00 C ATOM 1408 O MET A 126 -0.549 -2.721 -14.286 1.00 0.00 O ATOM 1409 CB MET A 126 0.007 0.226 -13.630 1.00 0.00 C ATOM 1410 CG MET A 126 0.612 0.042 -12.237 1.00 0.00 C ATOM 1411 SD MET A 126 -0.306 1.043 -11.040 1.00 0.00 S ATOM 1412 CE MET A 126 -0.068 -0.042 -9.612 1.00 0.00 C ATOM 0 H MET A 126 -0.957 -0.798 -15.938 1.00 0.00 H new ATOM 0 HA MET A 126 1.776 -0.503 -14.662 1.00 0.00 H new ATOM 0 HB2 MET A 126 0.119 1.261 -13.953 1.00 0.00 H new ATOM 0 HB3 MET A 126 -1.062 0.013 -13.606 1.00 0.00 H new ATOM 0 HG2 MET A 126 0.577 -1.009 -11.950 1.00 0.00 H new ATOM 0 HG3 MET A 126 1.662 0.336 -12.243 1.00 0.00 H new ATOM 0 HE1 MET A 126 -0.354 0.486 -8.702 1.00 0.00 H new ATOM 0 HE2 MET A 126 -0.686 -0.932 -9.725 1.00 0.00 H new ATOM 0 HE3 MET A 126 0.980 -0.334 -9.548 1.00 0.00 H new ATOM 1422 N VAL A 127 1.569 -2.804 -13.731 1.00 0.00 N ATOM 1423 CA VAL A 127 1.436 -4.231 -13.324 1.00 0.00 C ATOM 1424 C VAL A 127 1.686 -4.401 -11.824 1.00 0.00 C ATOM 1425 O VAL A 127 2.806 -4.344 -11.358 1.00 0.00 O ATOM 1426 CB VAL A 127 2.501 -4.965 -14.137 1.00 0.00 C ATOM 1427 CG1 VAL A 127 2.337 -6.474 -13.947 1.00 0.00 C ATOM 1428 CG2 VAL A 127 2.336 -4.616 -15.618 1.00 0.00 C ATOM 0 H VAL A 127 2.501 -2.403 -13.623 1.00 0.00 H new ATOM 0 HA VAL A 127 0.434 -4.618 -13.509 1.00 0.00 H new ATOM 0 HB VAL A 127 3.492 -4.663 -13.799 1.00 0.00 H new ATOM 0 HG11 VAL A 127 3.097 -6.998 -14.527 1.00 0.00 H new ATOM 0 HG12 VAL A 127 2.450 -6.722 -12.892 1.00 0.00 H new ATOM 0 HG13 VAL A 127 1.347 -6.778 -14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 127 3.094 -5.138 -16.202 1.00 0.00 H new ATOM 0 HG22 VAL A 127 1.345 -4.921 -15.955 1.00 0.00 H new ATOM 0 HG23 VAL A 127 2.451 -3.541 -15.753 1.00 0.00 H new ATOM 1438 N GLU A 128 0.646 -4.621 -11.066 1.00 0.00 N ATOM 1439 CA GLU A 128 0.814 -4.809 -9.597 1.00 0.00 C ATOM 1440 C GLU A 128 -0.148 -5.890 -9.103 1.00 0.00 C ATOM 1441 O GLU A 128 -1.117 -6.216 -9.761 1.00 0.00 O ATOM 1442 CB GLU A 128 0.472 -3.454 -8.974 1.00 0.00 C ATOM 1443 CG GLU A 128 1.062 -3.379 -7.563 1.00 0.00 C ATOM 1444 CD GLU A 128 2.529 -2.953 -7.644 1.00 0.00 C ATOM 1445 OE1 GLU A 128 3.152 -3.232 -8.656 1.00 0.00 O ATOM 1446 OE2 GLU A 128 3.007 -2.355 -6.694 1.00 0.00 O ATOM 0 H GLU A 128 -0.315 -4.679 -11.402 1.00 0.00 H new ATOM 0 HA GLU A 128 1.822 -5.127 -9.330 1.00 0.00 H new ATOM 0 HB2 GLU A 128 0.870 -2.647 -9.590 1.00 0.00 H new ATOM 0 HB3 GLU A 128 -0.609 -3.322 -8.935 1.00 0.00 H new ATOM 0 HG2 GLU A 128 0.499 -2.667 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 128 0.981 -4.349 -7.072 1.00 0.00 H new ATOM 1453 N GLY A 129 0.109 -6.454 -7.957 1.00 0.00 N ATOM 1454 CA GLY A 129 -0.794 -7.518 -7.435 1.00 0.00 C ATOM 1455 C GLY A 129 -0.482 -8.833 -8.151 1.00 0.00 C ATOM 1456 O GLY A 129 -1.151 -9.212 -9.093 1.00 0.00 O ATOM 0 H GLY A 129 0.903 -6.225 -7.360 1.00 0.00 H new ATOM 0 HA2 GLY A 129 -0.657 -7.633 -6.360 1.00 0.00 H new ATOM 0 HA3 GLY A 129 -1.836 -7.240 -7.596 1.00 0.00 H new ATOM 1460 N ARG A 130 0.533 -9.526 -7.717 1.00 0.00 N ATOM 1461 CA ARG A 130 0.895 -10.815 -8.374 1.00 0.00 C ATOM 1462 C ARG A 130 0.300 -11.994 -7.600 1.00 0.00 C ATOM 1463 O ARG A 130 0.243 -11.986 -6.386 1.00 0.00 O ATOM 1464 CB ARG A 130 2.423 -10.860 -8.335 1.00 0.00 C ATOM 1465 CG ARG A 130 2.914 -12.156 -8.981 1.00 0.00 C ATOM 1466 CD ARG A 130 3.129 -13.215 -7.898 1.00 0.00 C ATOM 1467 NE ARG A 130 4.151 -12.632 -6.986 1.00 0.00 N ATOM 1468 CZ ARG A 130 4.224 -13.034 -5.746 1.00 0.00 C ATOM 1469 NH1 ARG A 130 3.275 -12.729 -4.904 1.00 0.00 N ATOM 1470 NH2 ARG A 130 5.246 -13.742 -5.349 1.00 0.00 N ATOM 0 H ARG A 130 1.129 -9.256 -6.935 1.00 0.00 H new ATOM 0 HA ARG A 130 0.510 -10.883 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 130 2.836 -10.000 -8.862 1.00 0.00 H new ATOM 0 HB3 ARG A 130 2.773 -10.800 -7.304 1.00 0.00 H new ATOM 0 HG2 ARG A 130 2.186 -12.510 -9.711 1.00 0.00 H new ATOM 0 HG3 ARG A 130 3.845 -11.977 -9.520 1.00 0.00 H new ATOM 0 HD2 ARG A 130 2.202 -13.429 -7.366 1.00 0.00 H new ATOM 0 HD3 ARG A 130 3.474 -14.155 -8.328 1.00 0.00 H new ATOM 0 HE ARG A 130 4.794 -11.919 -7.330 1.00 0.00 H new ATOM 0 HH11 ARG A 130 2.476 -12.176 -5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 130 3.332 -13.043 -3.935 1.00 0.00 H new ATOM 0 HH21 ARG A 130 5.987 -13.981 -6.007 1.00 0.00 H new ATOM 0 HH22 ARG A 130 5.303 -14.056 -4.380 1.00 0.00 H new ATOM 1484 N LYS A 131 -0.143 -13.007 -8.292 1.00 0.00 N ATOM 1485 CA LYS A 131 -0.734 -14.187 -7.597 1.00 0.00 C ATOM 1486 C LYS A 131 0.366 -15.178 -7.207 1.00 0.00 C ATOM 1487 O LYS A 131 0.197 -15.858 -6.207 1.00 0.00 O ATOM 1488 CB LYS A 131 -1.681 -14.813 -8.621 1.00 0.00 C ATOM 1489 CG LYS A 131 -2.294 -16.086 -8.034 1.00 0.00 C ATOM 1490 CD LYS A 131 -2.407 -17.151 -9.128 1.00 0.00 C ATOM 1491 CE LYS A 131 -2.197 -18.537 -8.513 1.00 0.00 C ATOM 1492 NZ LYS A 131 -2.275 -19.483 -9.663 1.00 0.00 N ATOM 1493 OXT LYS A 131 1.357 -15.242 -7.915 1.00 0.00 O ATOM 0 H LYS A 131 -0.122 -13.069 -9.310 1.00 0.00 H new ATOM 0 HA LYS A 131 -1.251 -13.910 -6.678 1.00 0.00 H new ATOM 0 HB2 LYS A 131 -2.467 -14.106 -8.885 1.00 0.00 H new ATOM 0 HB3 LYS A 131 -1.140 -15.046 -9.538 1.00 0.00 H new ATOM 0 HG2 LYS A 131 -1.677 -16.455 -7.215 1.00 0.00 H new ATOM 0 HG3 LYS A 131 -3.279 -15.870 -7.619 1.00 0.00 H new ATOM 0 HD2 LYS A 131 -3.386 -17.097 -9.604 1.00 0.00 H new ATOM 0 HD3 LYS A 131 -1.665 -16.970 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 131 -1.232 -18.604 -8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 131 -2.960 -18.758 -7.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 -2.157 -20.458 -9.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 -3.201 -19.389 -10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 -1.521 -19.263 -10.345 1.00 0.00 H new