USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 831 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 61 LYS NZ :NH3+ -169:sc= 0.31 (180deg=0.0935) USER MOD Set 1.2: A 86 TYR OH : rot 180:sc= 0.22 USER MOD Set 2.1: A 55 GLN : amide:sc= 0.153 K(o=0.26,f=-0.49) USER MOD Set 2.2: A 57 TYR OH : rot -52:sc= 0.111 USER MOD Set 3.1: A 34 HIS : no HE2:sc= 0.455 K(o=0.48,f=-1.6!) USER MOD Set 3.2: A 39 THR OG1 : rot 180:sc= 0.0286 USER MOD Single : A 2 HIS : no HD1:sc= -0.24 X(o=-0.24,f=-0.11) USER MOD Single : A 4 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.00603 X(o=-0.006,f=-0.038) USER MOD Single : A 23 SER OG : rot 81:sc= 1.23 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc=-0.00221 X(o=-0.0022,f=-0.0089) USER MOD Single : A 40 CYS SG : rot 31:sc= -0.165 USER MOD Single : A 47 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.00162) USER MOD Single : A 52 GLN : amide:sc= 1.11 K(o=1.1,f=-0.068) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -167:sc= -0.566 (180deg=-0.721) USER MOD Single : A 85 GLN : amide:sc= 0.0237 X(o=0.024,f=0) USER MOD Single : A 89 SER OG : rot 180:sc= -0.0616 USER MOD Single : A 92 THR OG1 : rot 127:sc= 1.24 USER MOD Single : A 99 HIS : no HD1:sc= -0.666 K(o=-0.67,f=-0.024) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 ASN : amide:sc= -0.0214 X(o=-0.021,f=-0.38) USER MOD ----------------------------------------------------------------- ATOM 8 N HIS A 2 1.875 -20.278 1.119 1.00 0.00 N ATOM 9 CA HIS A 2 1.696 -18.821 1.214 1.00 0.00 C ATOM 10 C HIS A 2 1.781 -18.377 2.688 1.00 0.00 C ATOM 11 O HIS A 2 1.602 -19.176 3.608 1.00 0.00 O ATOM 12 CB HIS A 2 0.403 -18.340 0.520 1.00 0.00 C ATOM 13 CG HIS A 2 0.330 -18.529 -0.971 1.00 0.00 C ATOM 14 ND1 HIS A 2 0.664 -19.640 -1.713 1.00 0.00 N ATOM 15 CD2 HIS A 2 -0.128 -17.575 -1.834 1.00 0.00 C ATOM 16 CE1 HIS A 2 0.406 -19.357 -3.002 1.00 0.00 C ATOM 17 NE2 HIS A 2 -0.076 -18.107 -3.124 1.00 0.00 N ATOM 0 HA HIS A 2 2.509 -18.340 0.670 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -0.441 -18.862 0.972 1.00 0.00 H new ATOM 0 HB3 HIS A 2 0.274 -17.279 0.736 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -0.469 -16.586 -1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.564 -20.038 -3.825 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.350 -17.640 -3.988 1.00 0.00 H new ATOM 25 N VAL A 3 2.083 -17.105 2.936 1.00 0.00 N ATOM 26 CA VAL A 3 2.388 -16.564 4.266 1.00 0.00 C ATOM 27 C VAL A 3 1.278 -15.615 4.680 1.00 0.00 C ATOM 28 O VAL A 3 1.000 -14.679 3.935 1.00 0.00 O ATOM 29 CB VAL A 3 3.758 -15.843 4.279 1.00 0.00 C ATOM 30 CG1 VAL A 3 4.782 -16.706 5.010 1.00 0.00 C ATOM 31 CG2 VAL A 3 4.332 -15.482 2.900 1.00 0.00 C ATOM 0 H VAL A 3 2.125 -16.400 2.200 1.00 0.00 H new ATOM 0 HA VAL A 3 2.450 -17.387 4.978 1.00 0.00 H new ATOM 0 HB VAL A 3 3.568 -14.897 4.786 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.746 -16.198 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.451 -16.874 6.035 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.881 -17.664 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 3 5.292 -14.982 3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 3 4.470 -16.391 2.314 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.641 -14.817 2.381 1.00 0.00 H new ATOM 41 N GLN A 4 0.618 -15.844 5.820 1.00 0.00 N ATOM 42 CA GLN A 4 -0.426 -14.934 6.254 1.00 0.00 C ATOM 43 C GLN A 4 0.198 -13.614 6.683 1.00 0.00 C ATOM 44 O GLN A 4 1.287 -13.590 7.265 1.00 0.00 O ATOM 45 CB GLN A 4 -1.309 -15.558 7.348 1.00 0.00 C ATOM 46 CG GLN A 4 -2.760 -15.092 7.133 1.00 0.00 C ATOM 47 CD GLN A 4 -3.732 -15.664 8.158 1.00 0.00 C ATOM 48 OE1 GLN A 4 -3.474 -16.687 8.787 1.00 0.00 O ATOM 49 NE2 GLN A 4 -4.903 -15.072 8.322 1.00 0.00 N ATOM 0 H GLN A 4 0.788 -16.635 6.441 1.00 0.00 H new ATOM 0 HA GLN A 4 -1.095 -14.735 5.417 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -1.251 -16.646 7.306 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -0.957 -15.258 8.335 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -2.795 -14.003 7.176 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -3.084 -15.382 6.133 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -5.122 -14.222 7.802 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -5.587 -15.465 8.968 1.00 0.00 H new ATOM 58 N LEU A 5 -0.528 -12.533 6.408 1.00 0.00 N ATOM 59 CA LEU A 5 -0.252 -11.204 6.914 1.00 0.00 C ATOM 60 C LEU A 5 -1.577 -10.549 7.260 1.00 0.00 C ATOM 61 O LEU A 5 -2.589 -10.803 6.596 1.00 0.00 O ATOM 62 CB LEU A 5 0.499 -10.348 5.876 1.00 0.00 C ATOM 63 CG LEU A 5 1.950 -10.784 5.598 1.00 0.00 C ATOM 64 CD1 LEU A 5 2.544 -9.920 4.482 1.00 0.00 C ATOM 65 CD2 LEU A 5 2.848 -10.639 6.829 1.00 0.00 C ATOM 0 H LEU A 5 -1.351 -12.566 5.806 1.00 0.00 H new ATOM 0 HA LEU A 5 0.386 -11.281 7.794 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -0.057 -10.370 4.939 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.506 -9.313 6.218 1.00 0.00 H new ATOM 0 HG LEU A 5 1.914 -11.835 5.312 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.570 -10.231 4.288 1.00 0.00 H new ATOM 0 HD12 LEU A 5 1.951 -10.039 3.575 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.534 -8.874 4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.860 -10.959 6.581 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.865 -9.596 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.460 -11.258 7.638 1.00 0.00 H new ATOM 77 N SER A 6 -1.559 -9.653 8.240 1.00 0.00 N ATOM 78 CA SER A 6 -2.662 -8.771 8.522 1.00 0.00 C ATOM 79 C SER A 6 -2.200 -7.324 8.351 1.00 0.00 C ATOM 80 O SER A 6 -1.003 -7.020 8.371 1.00 0.00 O ATOM 81 CB SER A 6 -3.224 -9.042 9.922 1.00 0.00 C ATOM 82 OG SER A 6 -2.940 -10.329 10.452 1.00 0.00 O ATOM 0 H SER A 6 -0.762 -9.525 8.864 1.00 0.00 H new ATOM 0 HA SER A 6 -3.475 -8.954 7.820 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.829 -8.291 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.306 -8.910 9.893 1.00 0.00 H new ATOM 0 HG SER A 6 -3.335 -10.409 11.345 1.00 0.00 H new ATOM 88 N LEU A 7 -3.152 -6.413 8.180 1.00 0.00 N ATOM 89 CA LEU A 7 -2.922 -4.991 7.993 1.00 0.00 C ATOM 90 C LEU A 7 -3.946 -4.266 8.860 1.00 0.00 C ATOM 91 O LEU A 7 -5.134 -4.593 8.764 1.00 0.00 O ATOM 92 CB LEU A 7 -3.093 -4.600 6.516 1.00 0.00 C ATOM 93 CG LEU A 7 -2.025 -5.196 5.582 1.00 0.00 C ATOM 94 CD1 LEU A 7 -2.429 -4.982 4.123 1.00 0.00 C ATOM 95 CD2 LEU A 7 -0.650 -4.562 5.805 1.00 0.00 C ATOM 0 H LEU A 7 -4.142 -6.658 8.168 1.00 0.00 H new ATOM 0 HA LEU A 7 -1.905 -4.722 8.278 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -4.078 -4.922 6.177 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -3.067 -3.513 6.433 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.957 -6.260 5.810 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.668 -5.407 3.469 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.384 -5.472 3.934 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -2.523 -3.914 3.924 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.073 -5.012 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -0.708 -3.490 5.615 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -0.334 -4.731 6.834 1.00 0.00 H new ATOM 107 N PRO A 8 -3.530 -3.323 9.718 1.00 0.00 N ATOM 108 CA PRO A 8 -4.468 -2.433 10.375 1.00 0.00 C ATOM 109 C PRO A 8 -5.101 -1.532 9.305 1.00 0.00 C ATOM 110 O PRO A 8 -4.401 -1.013 8.425 1.00 0.00 O ATOM 111 CB PRO A 8 -3.645 -1.675 11.426 1.00 0.00 C ATOM 112 CG PRO A 8 -2.173 -2.032 11.196 1.00 0.00 C ATOM 113 CD PRO A 8 -2.174 -2.831 9.903 1.00 0.00 C ATOM 0 HA PRO A 8 -5.296 -2.935 10.875 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.799 -0.600 11.332 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -3.956 -1.955 12.433 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -1.556 -1.137 11.110 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.772 -2.617 12.024 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -1.870 -2.207 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.466 -3.658 9.958 1.00 0.00 H new ATOM 121 N VAL A 9 -6.416 -1.360 9.347 1.00 0.00 N ATOM 122 CA VAL A 9 -7.160 -0.488 8.449 1.00 0.00 C ATOM 123 C VAL A 9 -7.263 0.854 9.162 1.00 0.00 C ATOM 124 O VAL A 9 -7.874 0.927 10.229 1.00 0.00 O ATOM 125 CB VAL A 9 -8.556 -1.065 8.156 1.00 0.00 C ATOM 126 CG1 VAL A 9 -9.251 -0.295 7.027 1.00 0.00 C ATOM 127 CG2 VAL A 9 -8.512 -2.546 7.755 1.00 0.00 C ATOM 0 H VAL A 9 -7.010 -1.837 10.025 1.00 0.00 H new ATOM 0 HA VAL A 9 -6.660 -0.388 7.486 1.00 0.00 H new ATOM 0 HB VAL A 9 -9.113 -0.964 9.088 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -10.235 -0.727 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -9.361 0.751 7.314 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -8.651 -0.361 6.119 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.524 -2.900 7.560 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -7.908 -2.662 6.855 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -8.073 -3.129 8.564 1.00 0.00 H new ATOM 137 N LEU A 10 -6.648 1.888 8.595 1.00 0.00 N ATOM 138 CA LEU A 10 -6.700 3.262 9.086 1.00 0.00 C ATOM 139 C LEU A 10 -7.527 4.046 8.066 1.00 0.00 C ATOM 140 O LEU A 10 -7.474 3.727 6.871 1.00 0.00 O ATOM 141 CB LEU A 10 -5.287 3.874 9.154 1.00 0.00 C ATOM 142 CG LEU A 10 -4.143 2.993 9.676 1.00 0.00 C ATOM 143 CD1 LEU A 10 -2.776 3.458 9.152 1.00 0.00 C ATOM 144 CD2 LEU A 10 -4.120 2.860 11.196 1.00 0.00 C ATOM 0 H LEU A 10 -6.081 1.789 7.753 1.00 0.00 H new ATOM 0 HA LEU A 10 -7.130 3.295 10.087 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.020 4.209 8.152 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -5.338 4.762 9.784 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.345 1.998 9.279 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -1.995 2.807 9.546 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.770 3.415 8.063 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.592 4.483 9.475 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.286 2.224 11.493 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.003 3.846 11.646 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -5.055 2.415 11.536 1.00 0.00 H new ATOM 156 N GLN A 11 -8.259 5.071 8.491 1.00 0.00 N ATOM 157 CA GLN A 11 -9.032 5.915 7.593 1.00 0.00 C ATOM 158 C GLN A 11 -8.075 6.693 6.708 1.00 0.00 C ATOM 159 O GLN A 11 -7.105 7.271 7.191 1.00 0.00 O ATOM 160 CB GLN A 11 -9.978 6.862 8.357 1.00 0.00 C ATOM 161 CG GLN A 11 -10.968 6.028 9.181 1.00 0.00 C ATOM 162 CD GLN A 11 -12.119 6.772 9.845 1.00 0.00 C ATOM 163 OE1 GLN A 11 -12.466 6.518 10.994 1.00 0.00 O ATOM 164 NE2 GLN A 11 -12.867 7.560 9.101 1.00 0.00 N ATOM 0 H GLN A 11 -8.331 5.339 9.473 1.00 0.00 H new ATOM 0 HA GLN A 11 -9.669 5.280 6.977 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -9.404 7.519 9.011 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -10.516 7.501 7.657 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -11.391 5.264 8.529 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -10.408 5.509 9.959 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -12.586 7.776 8.145 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -13.728 7.954 9.481 1.00 0.00 H new ATOM 173 N VAL A 12 -8.401 6.811 5.423 1.00 0.00 N ATOM 174 CA VAL A 12 -7.618 7.557 4.440 1.00 0.00 C ATOM 175 C VAL A 12 -7.481 9.042 4.831 1.00 0.00 C ATOM 176 O VAL A 12 -6.670 9.788 4.275 1.00 0.00 O ATOM 177 CB VAL A 12 -8.285 7.330 3.067 1.00 0.00 C ATOM 178 CG1 VAL A 12 -9.565 8.148 2.848 1.00 0.00 C ATOM 179 CG2 VAL A 12 -7.308 7.585 1.927 1.00 0.00 C ATOM 0 H VAL A 12 -9.237 6.381 5.027 1.00 0.00 H new ATOM 0 HA VAL A 12 -6.589 7.199 4.397 1.00 0.00 H new ATOM 0 HB VAL A 12 -8.582 6.281 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.971 7.931 1.860 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -10.300 7.884 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.334 9.211 2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.809 7.416 0.974 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -6.955 8.615 1.974 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -6.460 6.906 2.016 1.00 0.00 H new ATOM 189 N ARG A 13 -8.306 9.467 5.790 1.00 0.00 N ATOM 190 CA ARG A 13 -8.403 10.806 6.321 1.00 0.00 C ATOM 191 C ARG A 13 -7.387 11.023 7.432 1.00 0.00 C ATOM 192 O ARG A 13 -6.776 12.088 7.492 1.00 0.00 O ATOM 193 CB ARG A 13 -9.837 11.043 6.837 1.00 0.00 C ATOM 194 CG ARG A 13 -10.913 10.477 5.889 1.00 0.00 C ATOM 195 CD ARG A 13 -12.320 10.945 6.257 1.00 0.00 C ATOM 196 NE ARG A 13 -13.128 11.210 5.052 1.00 0.00 N ATOM 197 CZ ARG A 13 -14.290 11.865 5.089 1.00 0.00 C ATOM 198 NH1 ARG A 13 -15.070 11.776 6.160 1.00 0.00 N ATOM 199 NH2 ARG A 13 -14.663 12.619 4.061 1.00 0.00 N ATOM 0 H ARG A 13 -8.965 8.831 6.240 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.182 11.522 5.530 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.946 10.583 7.819 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.000 12.113 6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.688 10.781 4.867 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.878 9.388 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -12.810 10.186 6.867 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.258 11.849 6.862 1.00 0.00 H new ATOM 0 HE ARG A 13 -12.784 10.878 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -14.781 11.207 6.955 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -15.958 12.277 6.187 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.061 12.698 3.242 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -15.552 13.119 4.091 1.00 0.00 H new ATOM 213 N ASP A 14 -7.191 10.010 8.276 1.00 0.00 N ATOM 214 CA ASP A 14 -6.228 10.066 9.365 1.00 0.00 C ATOM 215 C ASP A 14 -4.830 10.011 8.773 1.00 0.00 C ATOM 216 O ASP A 14 -3.981 10.813 9.155 1.00 0.00 O ATOM 217 CB ASP A 14 -6.400 8.886 10.327 1.00 0.00 C ATOM 218 CG ASP A 14 -7.576 9.040 11.280 1.00 0.00 C ATOM 219 OD1 ASP A 14 -7.721 10.119 11.896 1.00 0.00 O ATOM 220 OD2 ASP A 14 -8.379 8.090 11.414 1.00 0.00 O ATOM 0 H ASP A 14 -7.699 9.127 8.220 1.00 0.00 H new ATOM 0 HA ASP A 14 -6.388 10.989 9.923 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.531 7.972 9.747 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -5.486 8.767 10.908 1.00 0.00 H new ATOM 225 N VAL A 15 -4.637 9.075 7.834 1.00 0.00 N ATOM 226 CA VAL A 15 -3.451 8.722 7.069 1.00 0.00 C ATOM 227 C VAL A 15 -2.914 9.874 6.235 1.00 0.00 C ATOM 228 O VAL A 15 -3.086 9.883 5.025 1.00 0.00 O ATOM 229 CB VAL A 15 -3.629 7.414 6.278 1.00 0.00 C ATOM 230 CG1 VAL A 15 -2.284 6.949 5.714 1.00 0.00 C ATOM 231 CG2 VAL A 15 -4.099 6.243 7.138 1.00 0.00 C ATOM 0 H VAL A 15 -5.416 8.474 7.565 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.667 8.518 7.798 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.369 7.652 5.514 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.424 6.023 5.157 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.883 7.715 5.050 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.586 6.778 6.533 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.203 5.354 6.516 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.368 6.052 7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.061 6.486 7.589 1.00 0.00 H new ATOM 241 N LEU A 16 -2.437 10.935 6.866 1.00 0.00 N ATOM 242 CA LEU A 16 -1.760 12.052 6.225 1.00 0.00 C ATOM 243 C LEU A 16 -0.872 11.651 5.038 1.00 0.00 C ATOM 244 O LEU A 16 -0.830 12.399 4.063 1.00 0.00 O ATOM 245 CB LEU A 16 -0.913 12.767 7.284 1.00 0.00 C ATOM 246 CG LEU A 16 -1.718 13.514 8.359 1.00 0.00 C ATOM 247 CD1 LEU A 16 -0.744 14.161 9.343 1.00 0.00 C ATOM 248 CD2 LEU A 16 -2.644 14.584 7.766 1.00 0.00 C ATOM 0 H LEU A 16 -2.513 11.046 7.877 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.530 12.703 5.810 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.274 12.032 7.774 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.256 13.478 6.783 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.355 12.789 8.864 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.304 14.695 10.111 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.132 13.389 9.810 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.101 14.861 8.811 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -3.188 15.080 8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.050 15.319 7.223 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.353 14.114 7.084 1.00 0.00 H new ATOM 260 N VAL A 17 -0.196 10.496 5.081 1.00 0.00 N ATOM 261 CA VAL A 17 0.705 10.033 4.026 1.00 0.00 C ATOM 262 C VAL A 17 0.251 8.681 3.469 1.00 0.00 C ATOM 263 O VAL A 17 0.449 7.622 4.060 1.00 0.00 O ATOM 264 CB VAL A 17 2.173 10.090 4.502 1.00 0.00 C ATOM 265 CG1 VAL A 17 2.413 9.356 5.833 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.141 9.586 3.423 1.00 0.00 C ATOM 0 H VAL A 17 -0.263 9.848 5.866 1.00 0.00 H new ATOM 0 HA VAL A 17 0.656 10.711 3.174 1.00 0.00 H new ATOM 0 HB VAL A 17 2.378 11.145 4.685 1.00 0.00 H new ATOM 0 HG11 VAL A 17 3.465 9.436 6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.799 9.806 6.613 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.146 8.305 5.722 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.163 9.642 3.797 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.902 8.552 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.046 10.205 2.531 1.00 0.00 H new ATOM 276 N ARG A 18 -0.399 8.708 2.307 1.00 0.00 N ATOM 277 CA ARG A 18 -0.993 7.551 1.652 1.00 0.00 C ATOM 278 C ARG A 18 -0.134 7.037 0.499 1.00 0.00 C ATOM 279 O ARG A 18 -0.663 6.345 -0.372 1.00 0.00 O ATOM 280 CB ARG A 18 -2.377 7.903 1.146 1.00 0.00 C ATOM 281 CG ARG A 18 -3.247 8.613 2.186 1.00 0.00 C ATOM 282 CD ARG A 18 -3.259 10.126 1.965 1.00 0.00 C ATOM 283 NE ARG A 18 -4.366 10.763 2.677 1.00 0.00 N ATOM 284 CZ ARG A 18 -4.431 12.052 2.998 1.00 0.00 C ATOM 285 NH1 ARG A 18 -3.495 12.901 2.580 1.00 0.00 N ATOM 286 NH2 ARG A 18 -5.462 12.446 3.731 1.00 0.00 N ATOM 0 H ARG A 18 -0.530 9.570 1.778 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.059 6.753 2.391 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -2.282 8.541 0.267 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -2.880 6.991 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.266 8.228 2.134 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -2.874 8.393 3.186 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.314 10.552 2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -3.340 10.338 0.899 1.00 0.00 H new ATOM 0 HE ARG A 18 -5.151 10.171 2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.720 12.565 2.009 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -3.553 13.888 2.831 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.166 11.770 4.026 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -5.552 13.426 4.000 1.00 0.00 H new ATOM 300 N GLY A 19 1.139 7.419 0.406 1.00 0.00 N ATOM 301 CA GLY A 19 1.934 7.142 -0.765 1.00 0.00 C ATOM 302 C GLY A 19 3.385 7.014 -0.360 1.00 0.00 C ATOM 303 O GLY A 19 4.049 8.012 -0.094 1.00 0.00 O ATOM 0 H GLY A 19 1.635 7.925 1.140 1.00 0.00 H new ATOM 0 HA2 GLY A 19 1.594 6.222 -1.241 1.00 0.00 H new ATOM 0 HA3 GLY A 19 1.817 7.942 -1.496 1.00 0.00 H new ATOM 307 N PHE A 20 3.847 5.768 -0.298 1.00 0.00 N ATOM 308 CA PHE A 20 5.214 5.359 0.006 1.00 0.00 C ATOM 309 C PHE A 20 6.263 6.048 -0.878 1.00 0.00 C ATOM 310 O PHE A 20 7.406 6.248 -0.472 1.00 0.00 O ATOM 311 CB PHE A 20 5.313 3.858 -0.252 1.00 0.00 C ATOM 312 CG PHE A 20 4.708 2.911 0.768 1.00 0.00 C ATOM 313 CD1 PHE A 20 5.067 2.975 2.131 1.00 0.00 C ATOM 314 CD2 PHE A 20 3.833 1.894 0.330 1.00 0.00 C ATOM 315 CE1 PHE A 20 4.514 2.058 3.039 1.00 0.00 C ATOM 316 CE2 PHE A 20 3.274 0.992 1.247 1.00 0.00 C ATOM 317 CZ PHE A 20 3.615 1.074 2.605 1.00 0.00 C ATOM 0 H PHE A 20 3.238 4.968 -0.470 1.00 0.00 H new ATOM 0 HA PHE A 20 5.419 5.635 1.040 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.843 3.654 -1.214 1.00 0.00 H new ATOM 0 HB3 PHE A 20 6.369 3.607 -0.353 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.764 3.726 2.474 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.592 1.810 -0.719 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.784 2.111 4.083 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.582 0.235 0.908 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.186 0.381 3.314 1.00 0.00 H new ATOM 327 N GLY A 21 5.888 6.390 -2.099 1.00 0.00 N ATOM 328 CA GLY A 21 6.723 7.123 -3.033 1.00 0.00 C ATOM 329 C GLY A 21 5.853 7.855 -4.031 1.00 0.00 C ATOM 330 O GLY A 21 4.624 7.698 -4.014 1.00 0.00 O ATOM 0 H GLY A 21 4.969 6.159 -2.477 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.351 7.833 -2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.391 6.437 -3.553 1.00 0.00 H new ATOM 334 N ASP A 22 6.494 8.641 -4.890 1.00 0.00 N ATOM 335 CA ASP A 22 5.818 9.363 -5.962 1.00 0.00 C ATOM 336 C ASP A 22 5.854 8.583 -7.268 1.00 0.00 C ATOM 337 O ASP A 22 5.041 8.843 -8.157 1.00 0.00 O ATOM 338 CB ASP A 22 6.409 10.765 -6.156 1.00 0.00 C ATOM 339 CG ASP A 22 7.756 10.819 -6.899 1.00 0.00 C ATOM 340 OD1 ASP A 22 7.841 10.407 -8.081 1.00 0.00 O ATOM 341 OD2 ASP A 22 8.711 11.344 -6.282 1.00 0.00 O ATOM 0 H ASP A 22 7.502 8.796 -4.862 1.00 0.00 H new ATOM 0 HA ASP A 22 4.776 9.475 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 22 5.688 11.372 -6.703 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.535 11.226 -5.176 1.00 0.00 H new ATOM 346 N SER A 23 6.730 7.585 -7.374 1.00 0.00 N ATOM 347 CA SER A 23 6.863 6.771 -8.567 1.00 0.00 C ATOM 348 C SER A 23 6.516 5.323 -8.212 1.00 0.00 C ATOM 349 O SER A 23 6.658 4.899 -7.064 1.00 0.00 O ATOM 350 CB SER A 23 8.272 7.015 -9.108 1.00 0.00 C ATOM 351 OG SER A 23 8.327 8.317 -9.673 1.00 0.00 O ATOM 0 H SER A 23 7.370 7.322 -6.624 1.00 0.00 H new ATOM 0 HA SER A 23 6.172 7.029 -9.370 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.005 6.920 -8.307 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.522 6.267 -9.860 1.00 0.00 H new ATOM 0 HG SER A 23 8.448 8.978 -8.960 1.00 0.00 H new ATOM 357 N VAL A 24 5.992 4.547 -9.163 1.00 0.00 N ATOM 358 CA VAL A 24 5.436 3.228 -8.832 1.00 0.00 C ATOM 359 C VAL A 24 6.535 2.307 -8.304 1.00 0.00 C ATOM 360 O VAL A 24 6.283 1.564 -7.361 1.00 0.00 O ATOM 361 CB VAL A 24 4.547 2.624 -9.950 1.00 0.00 C ATOM 362 CG1 VAL A 24 4.705 3.322 -11.295 1.00 0.00 C ATOM 363 CG2 VAL A 24 4.760 1.126 -10.213 1.00 0.00 C ATOM 0 H VAL A 24 5.940 4.799 -10.150 1.00 0.00 H new ATOM 0 HA VAL A 24 4.724 3.356 -8.017 1.00 0.00 H new ATOM 0 HB VAL A 24 3.548 2.780 -9.542 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.054 2.848 -12.030 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.433 4.373 -11.194 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.741 3.246 -11.625 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.093 0.798 -11.011 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.794 0.952 -10.510 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.544 0.563 -9.305 1.00 0.00 H new ATOM 373 N GLU A 25 7.740 2.363 -8.875 1.00 0.00 N ATOM 374 CA GLU A 25 8.815 1.446 -8.507 1.00 0.00 C ATOM 375 C GLU A 25 9.343 1.744 -7.105 1.00 0.00 C ATOM 376 O GLU A 25 9.816 0.841 -6.420 1.00 0.00 O ATOM 377 CB GLU A 25 9.958 1.546 -9.523 1.00 0.00 C ATOM 378 CG GLU A 25 9.479 1.206 -10.944 1.00 0.00 C ATOM 379 CD GLU A 25 10.369 0.205 -11.681 1.00 0.00 C ATOM 380 OE1 GLU A 25 11.393 0.605 -12.286 1.00 0.00 O ATOM 381 OE2 GLU A 25 9.969 -0.977 -11.745 1.00 0.00 O ATOM 0 H GLU A 25 7.994 3.037 -9.597 1.00 0.00 H new ATOM 0 HA GLU A 25 8.410 0.434 -8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 25 10.372 2.554 -9.509 1.00 0.00 H new ATOM 0 HB3 GLU A 25 10.762 0.868 -9.236 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.467 0.804 -10.888 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.425 2.125 -11.527 1.00 0.00 H new ATOM 388 N GLU A 26 9.252 3.005 -6.682 1.00 0.00 N ATOM 389 CA GLU A 26 9.462 3.436 -5.304 1.00 0.00 C ATOM 390 C GLU A 26 8.441 2.726 -4.439 1.00 0.00 C ATOM 391 O GLU A 26 8.794 1.882 -3.619 1.00 0.00 O ATOM 392 CB GLU A 26 9.312 4.962 -5.174 1.00 0.00 C ATOM 393 CG GLU A 26 10.344 5.691 -6.022 1.00 0.00 C ATOM 394 CD GLU A 26 10.269 7.209 -5.893 1.00 0.00 C ATOM 395 OE1 GLU A 26 9.202 7.751 -5.530 1.00 0.00 O ATOM 396 OE2 GLU A 26 11.315 7.830 -6.195 1.00 0.00 O ATOM 0 H GLU A 26 9.023 3.776 -7.309 1.00 0.00 H new ATOM 0 HA GLU A 26 10.473 3.185 -4.985 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.309 5.259 -5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 26 9.424 5.253 -4.130 1.00 0.00 H new ATOM 0 HG2 GLU A 26 11.341 5.358 -5.734 1.00 0.00 H new ATOM 0 HG3 GLU A 26 10.205 5.415 -7.067 1.00 0.00 H new ATOM 403 N ALA A 27 7.169 3.037 -4.681 1.00 0.00 N ATOM 404 CA ALA A 27 6.072 2.661 -3.820 1.00 0.00 C ATOM 405 C ALA A 27 5.984 1.140 -3.667 1.00 0.00 C ATOM 406 O ALA A 27 5.759 0.645 -2.565 1.00 0.00 O ATOM 407 CB ALA A 27 4.789 3.274 -4.381 1.00 0.00 C ATOM 0 H ALA A 27 6.876 3.569 -5.501 1.00 0.00 H new ATOM 0 HA ALA A 27 6.232 3.048 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.947 3.002 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.886 4.359 -4.409 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.617 2.899 -5.390 1.00 0.00 H new ATOM 413 N LEU A 28 6.168 0.389 -4.754 1.00 0.00 N ATOM 414 CA LEU A 28 6.194 -1.067 -4.727 1.00 0.00 C ATOM 415 C LEU A 28 7.341 -1.608 -3.852 1.00 0.00 C ATOM 416 O LEU A 28 7.120 -2.523 -3.050 1.00 0.00 O ATOM 417 CB LEU A 28 6.266 -1.592 -6.174 1.00 0.00 C ATOM 418 CG LEU A 28 5.340 -2.787 -6.437 1.00 0.00 C ATOM 419 CD1 LEU A 28 5.434 -3.211 -7.908 1.00 0.00 C ATOM 420 CD2 LEU A 28 5.604 -4.011 -5.552 1.00 0.00 C ATOM 0 H LEU A 28 6.304 0.782 -5.685 1.00 0.00 H new ATOM 0 HA LEU A 28 5.277 -1.432 -4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.007 -0.784 -6.859 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.293 -1.882 -6.396 1.00 0.00 H new ATOM 0 HG LEU A 28 4.340 -2.433 -6.185 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.773 -4.060 -8.085 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.135 -2.379 -8.546 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.460 -3.496 -8.140 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.902 -4.804 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.623 -4.362 -5.712 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.474 -3.738 -4.505 1.00 0.00 H new ATOM 432 N SER A 29 8.556 -1.065 -3.992 1.00 0.00 N ATOM 433 CA SER A 29 9.729 -1.505 -3.233 1.00 0.00 C ATOM 434 C SER A 29 9.518 -1.200 -1.750 1.00 0.00 C ATOM 435 O SER A 29 9.630 -2.087 -0.898 1.00 0.00 O ATOM 436 CB SER A 29 10.989 -0.806 -3.773 1.00 0.00 C ATOM 437 OG SER A 29 12.164 -1.324 -3.170 1.00 0.00 O ATOM 0 H SER A 29 8.753 -0.302 -4.640 1.00 0.00 H new ATOM 0 HA SER A 29 9.864 -2.581 -3.347 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.045 -0.936 -4.854 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.923 0.265 -3.584 1.00 0.00 H new ATOM 0 HG SER A 29 12.949 -0.863 -3.533 1.00 0.00 H new ATOM 443 N GLU A 30 9.166 0.050 -1.464 1.00 0.00 N ATOM 444 CA GLU A 30 8.829 0.588 -0.161 1.00 0.00 C ATOM 445 C GLU A 30 7.771 -0.255 0.519 1.00 0.00 C ATOM 446 O GLU A 30 7.855 -0.463 1.721 1.00 0.00 O ATOM 447 CB GLU A 30 8.170 1.940 -0.372 1.00 0.00 C ATOM 448 CG GLU A 30 9.084 3.115 -0.675 1.00 0.00 C ATOM 449 CD GLU A 30 9.618 3.718 0.628 1.00 0.00 C ATOM 450 OE1 GLU A 30 8.825 4.244 1.444 1.00 0.00 O ATOM 451 OE2 GLU A 30 10.837 3.571 0.866 1.00 0.00 O ATOM 0 H GLU A 30 9.106 0.760 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 30 9.741 0.626 0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.458 1.845 -1.192 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.596 2.180 0.523 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.915 2.787 -1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.540 3.873 -1.239 1.00 0.00 H new ATOM 458 N ALA A 31 6.759 -0.711 -0.217 1.00 0.00 N ATOM 459 CA ALA A 31 5.673 -1.491 0.334 1.00 0.00 C ATOM 460 C ALA A 31 6.190 -2.827 0.838 1.00 0.00 C ATOM 461 O ALA A 31 5.952 -3.158 2.000 1.00 0.00 O ATOM 462 CB ALA A 31 4.580 -1.639 -0.711 1.00 0.00 C ATOM 0 H ALA A 31 6.677 -0.543 -1.220 1.00 0.00 H new ATOM 0 HA ALA A 31 5.239 -0.980 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 31 3.760 -2.227 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.213 -0.653 -0.996 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.982 -2.144 -1.589 1.00 0.00 H new ATOM 468 N ARG A 32 6.957 -3.571 0.028 1.00 0.00 N ATOM 469 CA ARG A 32 7.631 -4.771 0.534 1.00 0.00 C ATOM 470 C ARG A 32 8.477 -4.432 1.755 1.00 0.00 C ATOM 471 O ARG A 32 8.519 -5.221 2.707 1.00 0.00 O ATOM 472 CB ARG A 32 8.504 -5.443 -0.544 1.00 0.00 C ATOM 473 CG ARG A 32 7.727 -6.022 -1.733 1.00 0.00 C ATOM 474 CD ARG A 32 8.587 -6.954 -2.602 1.00 0.00 C ATOM 475 NE ARG A 32 8.636 -8.317 -2.036 1.00 0.00 N ATOM 476 CZ ARG A 32 9.638 -9.202 -2.108 1.00 0.00 C ATOM 477 NH1 ARG A 32 10.758 -8.945 -2.766 1.00 0.00 N ATOM 478 NH2 ARG A 32 9.513 -10.374 -1.504 1.00 0.00 N ATOM 0 H ARG A 32 7.123 -3.368 -0.958 1.00 0.00 H new ATOM 0 HA ARG A 32 6.854 -5.481 0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.221 -4.712 -0.918 1.00 0.00 H new ATOM 0 HB3 ARG A 32 9.078 -6.244 -0.079 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.861 -6.572 -1.364 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.348 -5.205 -2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 32 8.180 -6.991 -3.613 1.00 0.00 H new ATOM 0 HD3 ARG A 32 9.598 -6.553 -2.680 1.00 0.00 H new ATOM 0 HE ARG A 32 7.805 -8.621 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 32 10.878 -8.049 -3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 32 11.501 -9.643 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 32 8.660 -10.595 -0.991 1.00 0.00 H new ATOM 0 HH22 ARG A 32 10.270 -11.056 -1.552 1.00 0.00 H new ATOM 492 N GLU A 33 9.105 -3.257 1.761 1.00 0.00 N ATOM 493 CA GLU A 33 9.940 -2.856 2.868 1.00 0.00 C ATOM 494 C GLU A 33 9.111 -2.600 4.124 1.00 0.00 C ATOM 495 O GLU A 33 9.421 -3.132 5.186 1.00 0.00 O ATOM 496 CB GLU A 33 10.774 -1.625 2.468 1.00 0.00 C ATOM 497 CG GLU A 33 12.192 -2.025 2.061 1.00 0.00 C ATOM 498 CD GLU A 33 12.781 -1.157 0.948 1.00 0.00 C ATOM 499 OE1 GLU A 33 12.721 0.089 1.033 1.00 0.00 O ATOM 500 OE2 GLU A 33 13.310 -1.740 -0.032 1.00 0.00 O ATOM 0 H GLU A 33 9.045 -2.573 1.007 1.00 0.00 H new ATOM 0 HA GLU A 33 10.624 -3.670 3.109 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.288 -1.107 1.641 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.816 -0.925 3.302 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.841 -1.969 2.935 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.187 -3.065 1.734 1.00 0.00 H new ATOM 507 N HIS A 34 8.057 -1.796 4.052 1.00 0.00 N ATOM 508 CA HIS A 34 7.260 -1.374 5.194 1.00 0.00 C ATOM 509 C HIS A 34 6.432 -2.551 5.709 1.00 0.00 C ATOM 510 O HIS A 34 6.153 -2.613 6.899 1.00 0.00 O ATOM 511 CB HIS A 34 6.429 -0.128 4.852 1.00 0.00 C ATOM 512 CG HIS A 34 7.267 1.139 4.803 1.00 0.00 C ATOM 513 ND1 HIS A 34 8.238 1.437 3.873 1.00 0.00 N ATOM 514 CD2 HIS A 34 7.177 2.218 5.646 1.00 0.00 C ATOM 515 CE1 HIS A 34 8.746 2.646 4.173 1.00 0.00 C ATOM 516 NE2 HIS A 34 8.165 3.143 5.283 1.00 0.00 N ATOM 0 H HIS A 34 7.724 -1.409 3.169 1.00 0.00 H new ATOM 0 HA HIS A 34 7.913 -1.070 6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 34 5.942 -0.274 3.888 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.639 -0.008 5.593 1.00 0.00 H new ATOM 0 HD1 HIS A 34 8.522 0.845 3.093 1.00 0.00 H new ATOM 0 HD2 HIS A 34 6.467 2.334 6.451 1.00 0.00 H new ATOM 0 HE1 HIS A 34 9.513 3.149 3.603 1.00 0.00 H new ATOM 524 N LEU A 35 6.137 -3.549 4.875 1.00 0.00 N ATOM 525 CA LEU A 35 5.605 -4.837 5.310 1.00 0.00 C ATOM 526 C LEU A 35 6.636 -5.619 6.134 1.00 0.00 C ATOM 527 O LEU A 35 6.280 -6.244 7.132 1.00 0.00 O ATOM 528 CB LEU A 35 5.175 -5.649 4.081 1.00 0.00 C ATOM 529 CG LEU A 35 3.915 -5.094 3.391 1.00 0.00 C ATOM 530 CD1 LEU A 35 3.709 -5.791 2.049 1.00 0.00 C ATOM 531 CD2 LEU A 35 2.663 -5.293 4.226 1.00 0.00 C ATOM 0 H LEU A 35 6.263 -3.483 3.865 1.00 0.00 H new ATOM 0 HA LEU A 35 4.742 -4.658 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 5.995 -5.668 3.363 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.991 -6.680 4.382 1.00 0.00 H new ATOM 0 HG LEU A 35 4.075 -4.024 3.257 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.816 -5.394 1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.575 -5.615 1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.588 -6.862 2.210 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.803 -4.885 3.695 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.509 -6.358 4.402 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.777 -4.780 5.181 1.00 0.00 H new ATOM 543 N LYS A 36 7.917 -5.597 5.745 1.00 0.00 N ATOM 544 CA LYS A 36 9.005 -6.248 6.461 1.00 0.00 C ATOM 545 C LYS A 36 9.272 -5.532 7.779 1.00 0.00 C ATOM 546 O LYS A 36 9.424 -6.200 8.804 1.00 0.00 O ATOM 547 CB LYS A 36 10.222 -6.324 5.525 1.00 0.00 C ATOM 548 CG LYS A 36 11.281 -7.345 5.961 1.00 0.00 C ATOM 549 CD LYS A 36 12.205 -6.956 7.130 1.00 0.00 C ATOM 550 CE LYS A 36 12.886 -5.601 6.906 1.00 0.00 C ATOM 551 NZ LYS A 36 13.437 -5.017 8.139 1.00 0.00 N ATOM 0 H LYS A 36 8.226 -5.112 4.902 1.00 0.00 H new ATOM 0 HA LYS A 36 8.746 -7.270 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.880 -6.576 4.521 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.684 -5.339 5.466 1.00 0.00 H new ATOM 0 HG2 LYS A 36 10.767 -8.268 6.231 1.00 0.00 H new ATOM 0 HG3 LYS A 36 11.907 -7.570 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.625 -6.921 8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 36 12.966 -7.726 7.261 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.689 -5.721 6.179 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.165 -4.907 6.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.883 -4.103 7.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 12.671 -4.873 8.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 14.147 -5.662 8.541 1.00 0.00 H new ATOM 565 N ASN A 37 9.285 -4.197 7.774 1.00 0.00 N ATOM 566 CA ASN A 37 9.283 -3.391 8.991 1.00 0.00 C ATOM 567 C ASN A 37 8.113 -3.843 9.859 1.00 0.00 C ATOM 568 O ASN A 37 8.292 -4.166 11.033 1.00 0.00 O ATOM 569 CB ASN A 37 9.111 -1.889 8.706 1.00 0.00 C ATOM 570 CG ASN A 37 10.304 -1.165 8.106 1.00 0.00 C ATOM 571 OD1 ASN A 37 11.100 -0.569 8.818 1.00 0.00 O ATOM 572 ND2 ASN A 37 10.436 -1.118 6.796 1.00 0.00 N ATOM 0 H ASN A 37 9.297 -3.643 6.917 1.00 0.00 H new ATOM 0 HA ASN A 37 10.245 -3.531 9.484 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.264 -1.766 8.031 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.848 -1.394 9.641 1.00 0.00 H new ATOM 0 HD21 ASN A 37 11.200 -0.586 6.379 1.00 0.00 H new ATOM 0 HD22 ASN A 37 9.774 -1.614 6.199 1.00 0.00 H new ATOM 579 N GLY A 38 6.922 -3.876 9.263 1.00 0.00 N ATOM 580 CA GLY A 38 5.633 -4.091 9.907 1.00 0.00 C ATOM 581 C GLY A 38 4.807 -2.800 9.961 1.00 0.00 C ATOM 582 O GLY A 38 3.665 -2.810 10.413 1.00 0.00 O ATOM 0 H GLY A 38 6.829 -3.745 8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.078 -4.856 9.365 1.00 0.00 H new ATOM 0 HA3 GLY A 38 5.789 -4.467 10.918 1.00 0.00 H new ATOM 586 N THR A 39 5.358 -1.685 9.486 1.00 0.00 N ATOM 587 CA THR A 39 4.788 -0.353 9.577 1.00 0.00 C ATOM 588 C THR A 39 3.918 -0.100 8.341 1.00 0.00 C ATOM 589 O THR A 39 4.105 0.878 7.618 1.00 0.00 O ATOM 590 CB THR A 39 5.942 0.653 9.752 1.00 0.00 C ATOM 591 OG1 THR A 39 6.974 0.456 8.801 1.00 0.00 O ATOM 592 CG2 THR A 39 6.587 0.505 11.134 1.00 0.00 C ATOM 0 H THR A 39 6.257 -1.692 9.005 1.00 0.00 H new ATOM 0 HA THR A 39 4.132 -0.239 10.440 1.00 0.00 H new ATOM 0 HB THR A 39 5.497 1.640 9.622 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.684 1.116 8.947 1.00 0.00 H new ATOM 0 HG21 THR A 39 7.399 1.225 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.840 0.690 11.906 1.00 0.00 H new ATOM 0 HG23 THR A 39 6.982 -0.505 11.245 1.00 0.00 H new ATOM 600 N CYS A 40 2.958 -0.987 8.061 1.00 0.00 N ATOM 601 CA CYS A 40 2.148 -0.922 6.855 1.00 0.00 C ATOM 602 C CYS A 40 0.682 -1.250 7.160 1.00 0.00 C ATOM 603 O CYS A 40 0.388 -2.180 7.915 1.00 0.00 O ATOM 604 CB CYS A 40 2.775 -1.860 5.824 1.00 0.00 C ATOM 605 SG CYS A 40 1.858 -1.818 4.264 1.00 0.00 S ATOM 0 H CYS A 40 2.725 -1.771 8.671 1.00 0.00 H new ATOM 0 HA CYS A 40 2.135 0.088 6.445 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.811 -1.572 5.648 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.789 -2.878 6.214 1.00 0.00 H new ATOM 0 HG CYS A 40 1.345 -0.636 4.094 1.00 0.00 H new ATOM 611 N GLY A 41 -0.215 -0.472 6.546 1.00 0.00 N ATOM 612 CA GLY A 41 -1.661 -0.507 6.678 1.00 0.00 C ATOM 613 C GLY A 41 -2.392 -0.596 5.344 1.00 0.00 C ATOM 614 O GLY A 41 -1.750 -0.703 4.300 1.00 0.00 O ATOM 0 H GLY A 41 0.083 0.253 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.941 -1.361 7.294 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.991 0.388 7.205 1.00 0.00 H new ATOM 618 N LEU A 42 -3.731 -0.586 5.383 1.00 0.00 N ATOM 619 CA LEU A 42 -4.610 -0.876 4.240 1.00 0.00 C ATOM 620 C LEU A 42 -5.695 0.186 4.068 1.00 0.00 C ATOM 621 O LEU A 42 -6.359 0.534 5.045 1.00 0.00 O ATOM 622 CB LEU A 42 -5.290 -2.238 4.481 1.00 0.00 C ATOM 623 CG LEU A 42 -6.206 -2.699 3.330 1.00 0.00 C ATOM 624 CD1 LEU A 42 -5.369 -3.093 2.113 1.00 0.00 C ATOM 625 CD2 LEU A 42 -7.059 -3.891 3.771 1.00 0.00 C ATOM 0 H LEU A 42 -4.249 -0.370 6.235 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.001 -0.885 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.520 -2.992 4.642 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -5.877 -2.181 5.397 1.00 0.00 H new ATOM 0 HG LEU A 42 -6.862 -1.871 3.062 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.028 -3.417 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.784 -2.235 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.697 -3.908 2.382 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.700 -4.204 2.947 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.409 -4.717 4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -7.677 -3.602 4.621 1.00 0.00 H new ATOM 637 N VAL A 43 -5.946 0.638 2.837 1.00 0.00 N ATOM 638 CA VAL A 43 -6.923 1.657 2.501 1.00 0.00 C ATOM 639 C VAL A 43 -8.059 0.949 1.774 1.00 0.00 C ATOM 640 O VAL A 43 -7.824 0.297 0.756 1.00 0.00 O ATOM 641 CB VAL A 43 -6.227 2.711 1.623 1.00 0.00 C ATOM 642 CG1 VAL A 43 -7.218 3.769 1.128 1.00 0.00 C ATOM 643 CG2 VAL A 43 -5.127 3.435 2.413 1.00 0.00 C ATOM 0 H VAL A 43 -5.450 0.285 2.019 1.00 0.00 H new ATOM 0 HA VAL A 43 -7.328 2.171 3.372 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.800 2.179 0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.693 4.498 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -7.999 3.289 0.538 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.668 4.274 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.648 4.176 1.773 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.567 3.932 3.278 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.385 2.711 2.750 1.00 0.00 H new ATOM 653 N GLU A 44 -9.278 1.023 2.304 1.00 0.00 N ATOM 654 CA GLU A 44 -10.455 0.425 1.686 1.00 0.00 C ATOM 655 C GLU A 44 -10.831 1.265 0.472 1.00 0.00 C ATOM 656 O GLU A 44 -11.061 2.467 0.614 1.00 0.00 O ATOM 657 CB GLU A 44 -11.629 0.401 2.669 1.00 0.00 C ATOM 658 CG GLU A 44 -11.278 -0.344 3.958 1.00 0.00 C ATOM 659 CD GLU A 44 -12.485 -0.479 4.893 1.00 0.00 C ATOM 660 OE1 GLU A 44 -13.210 0.517 5.115 1.00 0.00 O ATOM 661 OE2 GLU A 44 -12.737 -1.601 5.384 1.00 0.00 O ATOM 0 H GLU A 44 -9.476 1.504 3.181 1.00 0.00 H new ATOM 0 HA GLU A 44 -10.232 -0.601 1.394 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -11.923 1.423 2.909 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -12.488 -0.075 2.197 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.899 -1.336 3.711 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.477 0.184 4.475 1.00 0.00 H new ATOM 668 N LEU A 45 -10.850 0.663 -0.714 1.00 0.00 N ATOM 669 CA LEU A 45 -11.081 1.408 -1.956 1.00 0.00 C ATOM 670 C LEU A 45 -12.528 1.836 -2.134 1.00 0.00 C ATOM 671 O LEU A 45 -13.451 1.020 -2.115 1.00 0.00 O ATOM 672 CB LEU A 45 -10.593 0.623 -3.173 1.00 0.00 C ATOM 673 CG LEU A 45 -9.063 0.684 -3.270 1.00 0.00 C ATOM 674 CD1 LEU A 45 -8.575 -0.487 -4.107 1.00 0.00 C ATOM 675 CD2 LEU A 45 -8.574 2.005 -3.878 1.00 0.00 C ATOM 0 H LEU A 45 -10.709 -0.339 -0.845 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.493 2.322 -1.874 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.918 -0.415 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -11.038 1.032 -4.080 1.00 0.00 H new ATOM 0 HG LEU A 45 -8.655 0.626 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.488 -0.453 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -8.877 -1.422 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -9.010 -0.427 -5.105 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -7.485 2.002 -3.926 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -8.982 2.116 -4.883 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.907 2.837 -3.257 1.00 0.00 H new ATOM 687 N GLU A 46 -12.709 3.132 -2.362 1.00 0.00 N ATOM 688 CA GLU A 46 -13.961 3.852 -2.251 1.00 0.00 C ATOM 689 C GLU A 46 -14.040 4.912 -3.362 1.00 0.00 C ATOM 690 O GLU A 46 -13.028 5.172 -4.029 1.00 0.00 O ATOM 691 CB GLU A 46 -13.925 4.495 -0.856 1.00 0.00 C ATOM 692 CG GLU A 46 -15.210 4.386 -0.071 1.00 0.00 C ATOM 693 CD GLU A 46 -15.984 5.703 -0.098 1.00 0.00 C ATOM 694 OE1 GLU A 46 -16.599 6.020 -1.136 1.00 0.00 O ATOM 695 OE2 GLU A 46 -15.930 6.459 0.904 1.00 0.00 O ATOM 0 H GLU A 46 -11.939 3.738 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.836 3.213 -2.365 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -13.124 4.032 -0.279 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.671 5.549 -0.965 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.827 3.589 -0.486 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.988 4.112 0.960 1.00 0.00 H new ATOM 702 N LYS A 47 -15.193 5.580 -3.508 1.00 0.00 N ATOM 703 CA LYS A 47 -15.439 6.631 -4.500 1.00 0.00 C ATOM 704 C LYS A 47 -14.291 7.629 -4.485 1.00 0.00 C ATOM 705 O LYS A 47 -13.603 7.805 -5.491 1.00 0.00 O ATOM 706 CB LYS A 47 -16.784 7.341 -4.211 1.00 0.00 C ATOM 707 CG LYS A 47 -17.133 8.460 -5.215 1.00 0.00 C ATOM 708 CD LYS A 47 -17.657 7.948 -6.566 1.00 0.00 C ATOM 709 CE LYS A 47 -19.184 7.791 -6.577 1.00 0.00 C ATOM 710 NZ LYS A 47 -19.907 9.077 -6.679 1.00 0.00 N ATOM 0 H LYS A 47 -16.005 5.396 -2.919 1.00 0.00 H new ATOM 0 HA LYS A 47 -15.500 6.180 -5.490 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -17.583 6.600 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.751 7.765 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -17.884 9.112 -4.769 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -16.245 9.068 -5.388 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -17.359 8.640 -7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -17.194 6.988 -6.793 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -19.470 7.155 -7.414 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -19.496 7.279 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -20.851 8.979 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -19.376 9.815 -6.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -20.003 9.343 -7.680 1.00 0.00 H new ATOM 724 N GLY A 48 -14.091 8.270 -3.339 1.00 0.00 N ATOM 725 CA GLY A 48 -13.219 9.418 -3.212 1.00 0.00 C ATOM 726 C GLY A 48 -11.857 9.080 -2.643 1.00 0.00 C ATOM 727 O GLY A 48 -11.185 9.998 -2.189 1.00 0.00 O ATOM 0 H GLY A 48 -14.539 7.998 -2.464 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -13.091 9.878 -4.192 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -13.698 10.159 -2.572 1.00 0.00 H new ATOM 731 N VAL A 49 -11.448 7.811 -2.603 1.00 0.00 N ATOM 732 CA VAL A 49 -10.194 7.400 -1.973 1.00 0.00 C ATOM 733 C VAL A 49 -8.988 7.730 -2.828 1.00 0.00 C ATOM 734 O VAL A 49 -8.087 8.415 -2.355 1.00 0.00 O ATOM 735 CB VAL A 49 -10.294 5.913 -1.610 1.00 0.00 C ATOM 736 CG1 VAL A 49 -8.977 5.133 -1.534 1.00 0.00 C ATOM 737 CG2 VAL A 49 -10.954 5.830 -0.232 1.00 0.00 C ATOM 0 H VAL A 49 -11.978 7.039 -3.007 1.00 0.00 H new ATOM 0 HA VAL A 49 -10.041 7.969 -1.056 1.00 0.00 H new ATOM 0 HB VAL A 49 -10.855 5.451 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -9.183 4.096 -1.269 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.477 5.168 -2.502 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.333 5.580 -0.777 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -11.045 4.785 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.343 6.363 0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.945 6.282 -0.275 1.00 0.00 H new ATOM 747 N LEU A 50 -8.972 7.247 -4.071 1.00 0.00 N ATOM 748 CA LEU A 50 -7.870 7.442 -5.004 1.00 0.00 C ATOM 749 C LEU A 50 -7.437 8.918 -5.047 1.00 0.00 C ATOM 750 O LEU A 50 -6.258 9.171 -4.828 1.00 0.00 O ATOM 751 CB LEU A 50 -8.295 6.927 -6.387 1.00 0.00 C ATOM 752 CG LEU A 50 -8.147 5.407 -6.633 1.00 0.00 C ATOM 753 CD1 LEU A 50 -8.026 5.130 -8.133 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.001 4.711 -5.892 1.00 0.00 C ATOM 0 H LEU A 50 -9.740 6.700 -4.461 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.001 6.875 -4.671 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -9.339 7.198 -6.546 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.710 7.453 -7.141 1.00 0.00 H new ATOM 0 HG LEU A 50 -9.056 4.976 -6.214 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.922 4.058 -8.298 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.919 5.491 -8.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -7.150 5.644 -8.528 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.997 3.650 -6.142 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -6.052 5.157 -6.189 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.138 4.830 -4.817 1.00 0.00 H new ATOM 766 N PRO A 51 -8.333 9.911 -5.207 1.00 0.00 N ATOM 767 CA PRO A 51 -7.922 11.303 -5.298 1.00 0.00 C ATOM 768 C PRO A 51 -7.489 11.922 -3.953 1.00 0.00 C ATOM 769 O PRO A 51 -7.217 13.123 -3.928 1.00 0.00 O ATOM 770 CB PRO A 51 -9.116 12.024 -5.939 1.00 0.00 C ATOM 771 CG PRO A 51 -10.329 11.215 -5.499 1.00 0.00 C ATOM 772 CD PRO A 51 -9.777 9.801 -5.345 1.00 0.00 C ATOM 0 HA PRO A 51 -7.017 11.403 -5.898 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -9.184 13.058 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.028 12.049 -7.025 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -10.742 11.589 -4.562 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -11.128 11.255 -6.239 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.210 9.313 -4.472 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.035 9.192 -6.211 1.00 0.00 H new ATOM 780 N GLN A 52 -7.447 11.169 -2.840 1.00 0.00 N ATOM 781 CA GLN A 52 -6.866 11.620 -1.569 1.00 0.00 C ATOM 782 C GLN A 52 -5.419 11.150 -1.441 1.00 0.00 C ATOM 783 O GLN A 52 -4.647 11.756 -0.693 1.00 0.00 O ATOM 784 CB GLN A 52 -7.670 11.097 -0.360 1.00 0.00 C ATOM 785 CG GLN A 52 -9.065 11.720 -0.330 1.00 0.00 C ATOM 786 CD GLN A 52 -9.926 11.235 0.839 1.00 0.00 C ATOM 787 OE1 GLN A 52 -9.746 11.638 1.984 1.00 0.00 O ATOM 788 NE2 GLN A 52 -10.927 10.415 0.574 1.00 0.00 N ATOM 0 H GLN A 52 -7.820 10.221 -2.800 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.902 12.709 -1.571 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.752 10.011 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -7.141 11.332 0.564 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.969 12.804 -0.274 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.576 11.493 -1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -11.075 10.081 -0.379 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -11.552 10.115 1.322 1.00 0.00 H new ATOM 797 N LEU A 53 -5.049 10.080 -2.148 1.00 0.00 N ATOM 798 CA LEU A 53 -3.726 9.505 -2.172 1.00 0.00 C ATOM 799 C LEU A 53 -2.803 10.305 -3.082 1.00 0.00 C ATOM 800 O LEU A 53 -3.175 11.374 -3.566 1.00 0.00 O ATOM 801 CB LEU A 53 -3.929 8.069 -2.674 1.00 0.00 C ATOM 802 CG LEU A 53 -4.527 7.068 -1.682 1.00 0.00 C ATOM 803 CD1 LEU A 53 -5.200 7.589 -0.423 1.00 0.00 C ATOM 804 CD2 LEU A 53 -5.483 6.064 -2.330 1.00 0.00 C ATOM 0 H LEU A 53 -5.705 9.575 -2.744 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.248 9.518 -1.193 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -4.575 8.104 -3.552 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.964 7.685 -3.004 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.600 6.601 -1.349 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.567 6.749 0.167 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -4.480 8.159 0.165 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.036 8.233 -0.697 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.869 5.386 -1.569 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -6.312 6.598 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -4.950 5.492 -3.089 1.00 0.00 H new ATOM 816 N GLU A 54 -1.571 9.825 -3.253 1.00 0.00 N ATOM 817 CA GLU A 54 -0.612 10.437 -4.153 1.00 0.00 C ATOM 818 C GLU A 54 -0.979 10.063 -5.577 1.00 0.00 C ATOM 819 O GLU A 54 -1.701 10.819 -6.226 1.00 0.00 O ATOM 820 CB GLU A 54 0.823 10.069 -3.742 1.00 0.00 C ATOM 821 CG GLU A 54 1.234 10.599 -2.356 1.00 0.00 C ATOM 822 CD GLU A 54 0.998 12.105 -2.166 1.00 0.00 C ATOM 823 OE1 GLU A 54 1.796 12.920 -2.684 1.00 0.00 O ATOM 824 OE2 GLU A 54 0.047 12.464 -1.428 1.00 0.00 O ATOM 0 H GLU A 54 -1.216 9.001 -2.768 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.648 11.525 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.925 8.984 -3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.515 10.459 -4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 54 0.679 10.056 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 54 2.291 10.384 -2.195 1.00 0.00 H new ATOM 831 N GLN A 55 -0.526 8.909 -6.057 1.00 0.00 N ATOM 832 CA GLN A 55 -0.767 8.454 -7.405 1.00 0.00 C ATOM 833 C GLN A 55 -0.338 6.993 -7.557 1.00 0.00 C ATOM 834 O GLN A 55 -1.190 6.197 -7.920 1.00 0.00 O ATOM 835 CB GLN A 55 -0.058 9.347 -8.434 1.00 0.00 C ATOM 836 CG GLN A 55 -0.912 10.386 -9.196 1.00 0.00 C ATOM 837 CD GLN A 55 -2.371 10.013 -9.466 1.00 0.00 C ATOM 838 OE1 GLN A 55 -3.272 10.828 -9.295 1.00 0.00 O ATOM 839 NE2 GLN A 55 -2.663 8.788 -9.868 1.00 0.00 N ATOM 0 H GLN A 55 0.029 8.258 -5.502 1.00 0.00 H new ATOM 0 HA GLN A 55 -1.837 8.522 -7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.740 9.882 -7.920 1.00 0.00 H new ATOM 0 HB3 GLN A 55 0.416 8.698 -9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -0.898 11.318 -8.631 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -0.430 10.587 -10.153 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -1.917 8.107 -10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.634 8.524 -10.035 1.00 0.00 H new ATOM 848 N PRO A 56 0.918 6.565 -7.305 1.00 0.00 N ATOM 849 CA PRO A 56 1.236 5.149 -7.398 1.00 0.00 C ATOM 850 C PRO A 56 0.638 4.405 -6.204 1.00 0.00 C ATOM 851 O PRO A 56 1.267 4.265 -5.147 1.00 0.00 O ATOM 852 CB PRO A 56 2.750 5.048 -7.482 1.00 0.00 C ATOM 853 CG PRO A 56 3.243 6.320 -6.810 1.00 0.00 C ATOM 854 CD PRO A 56 2.124 7.341 -7.044 1.00 0.00 C ATOM 0 HA PRO A 56 0.804 4.679 -8.281 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.119 4.158 -6.972 1.00 0.00 H new ATOM 0 HB3 PRO A 56 3.089 4.986 -8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.420 6.163 -5.746 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.184 6.658 -7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.994 7.983 -6.173 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.359 7.991 -7.887 1.00 0.00 H new ATOM 862 N TYR A 57 -0.594 3.948 -6.388 1.00 0.00 N ATOM 863 CA TYR A 57 -1.429 3.239 -5.453 1.00 0.00 C ATOM 864 C TYR A 57 -0.969 1.772 -5.409 1.00 0.00 C ATOM 865 O TYR A 57 -1.146 1.034 -6.389 1.00 0.00 O ATOM 866 CB TYR A 57 -2.866 3.383 -5.980 1.00 0.00 C ATOM 867 CG TYR A 57 -3.335 4.781 -6.359 1.00 0.00 C ATOM 868 CD1 TYR A 57 -3.147 5.879 -5.488 1.00 0.00 C ATOM 869 CD2 TYR A 57 -3.883 4.992 -7.644 1.00 0.00 C ATOM 870 CE1 TYR A 57 -3.541 7.172 -5.892 1.00 0.00 C ATOM 871 CE2 TYR A 57 -4.291 6.278 -8.038 1.00 0.00 C ATOM 872 CZ TYR A 57 -4.167 7.365 -7.140 1.00 0.00 C ATOM 873 OH TYR A 57 -4.614 8.607 -7.475 1.00 0.00 O ATOM 0 H TYR A 57 -1.069 4.082 -7.281 1.00 0.00 H new ATOM 0 HA TYR A 57 -1.370 3.627 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.969 2.744 -6.857 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.544 2.994 -5.220 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.703 5.728 -4.515 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -3.989 4.162 -8.326 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -3.362 8.017 -5.243 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -4.699 6.437 -9.025 1.00 0.00 H new ATOM 0 HH TYR A 57 -5.180 8.956 -6.755 1.00 0.00 H new ATOM 883 N VAL A 58 -0.327 1.344 -4.321 1.00 0.00 N ATOM 884 CA VAL A 58 0.180 -0.024 -4.166 1.00 0.00 C ATOM 885 C VAL A 58 -0.952 -0.965 -3.733 1.00 0.00 C ATOM 886 O VAL A 58 -1.198 -1.184 -2.541 1.00 0.00 O ATOM 887 CB VAL A 58 1.387 -0.092 -3.216 1.00 0.00 C ATOM 888 CG1 VAL A 58 2.040 -1.480 -3.307 1.00 0.00 C ATOM 889 CG2 VAL A 58 2.447 0.952 -3.572 1.00 0.00 C ATOM 0 H VAL A 58 -0.142 1.941 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 58 0.544 -0.360 -5.137 1.00 0.00 H new ATOM 0 HB VAL A 58 1.019 0.103 -2.209 1.00 0.00 H new ATOM 0 HG11 VAL A 58 2.895 -1.525 -2.632 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.314 -2.243 -3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 58 2.374 -1.659 -4.329 1.00 0.00 H new ATOM 0 HG21 VAL A 58 3.284 0.872 -2.878 1.00 0.00 H new ATOM 0 HG22 VAL A 58 2.801 0.779 -4.588 1.00 0.00 H new ATOM 0 HG23 VAL A 58 2.013 1.949 -3.503 1.00 0.00 H new ATOM 899 N PHE A 59 -1.696 -1.489 -4.700 1.00 0.00 N ATOM 900 CA PHE A 59 -2.881 -2.293 -4.464 1.00 0.00 C ATOM 901 C PHE A 59 -2.539 -3.718 -4.092 1.00 0.00 C ATOM 902 O PHE A 59 -1.454 -4.229 -4.385 1.00 0.00 O ATOM 903 CB PHE A 59 -3.708 -2.349 -5.748 1.00 0.00 C ATOM 904 CG PHE A 59 -4.176 -1.010 -6.268 1.00 0.00 C ATOM 905 CD1 PHE A 59 -4.986 -0.181 -5.474 1.00 0.00 C ATOM 906 CD2 PHE A 59 -3.800 -0.596 -7.554 1.00 0.00 C ATOM 907 CE1 PHE A 59 -5.430 1.052 -5.972 1.00 0.00 C ATOM 908 CE2 PHE A 59 -4.279 0.619 -8.066 1.00 0.00 C ATOM 909 CZ PHE A 59 -5.092 1.441 -7.276 1.00 0.00 C ATOM 0 H PHE A 59 -1.485 -1.362 -5.690 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.426 -1.831 -3.641 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.115 -2.835 -6.523 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.581 -2.978 -5.573 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -5.267 -0.494 -4.479 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -3.142 -1.212 -8.150 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -6.031 1.701 -5.352 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -4.021 0.921 -9.070 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.459 2.376 -7.672 1.00 0.00 H new ATOM 919 N ILE A 60 -3.549 -4.380 -3.530 1.00 0.00 N ATOM 920 CA ILE A 60 -3.501 -5.786 -3.207 1.00 0.00 C ATOM 921 C ILE A 60 -4.671 -6.483 -3.883 1.00 0.00 C ATOM 922 O ILE A 60 -5.827 -6.274 -3.515 1.00 0.00 O ATOM 923 CB ILE A 60 -3.382 -6.004 -1.687 1.00 0.00 C ATOM 924 CG1 ILE A 60 -4.569 -5.545 -0.813 1.00 0.00 C ATOM 925 CG2 ILE A 60 -2.106 -5.314 -1.224 1.00 0.00 C ATOM 926 CD1 ILE A 60 -4.523 -6.073 0.628 1.00 0.00 C ATOM 0 H ILE A 60 -4.435 -3.937 -3.286 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.598 -6.251 -3.603 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.372 -7.085 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.590 -4.455 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -5.498 -5.872 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -1.989 -5.448 -0.149 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.250 -5.749 -1.739 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.164 -4.250 -1.452 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.390 -5.707 1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.534 -7.163 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.612 -5.725 1.114 1.00 0.00 H new ATOM 938 N LYS A 61 -4.402 -7.289 -4.908 1.00 0.00 N ATOM 939 CA LYS A 61 -5.443 -8.109 -5.527 1.00 0.00 C ATOM 940 C LYS A 61 -5.208 -9.559 -5.246 1.00 0.00 C ATOM 941 O LYS A 61 -4.071 -10.007 -5.162 1.00 0.00 O ATOM 942 CB LYS A 61 -5.599 -7.933 -7.031 1.00 0.00 C ATOM 943 CG LYS A 61 -4.294 -7.703 -7.744 1.00 0.00 C ATOM 944 CD LYS A 61 -4.430 -8.075 -9.218 1.00 0.00 C ATOM 945 CE LYS A 61 -3.077 -8.548 -9.701 1.00 0.00 C ATOM 946 NZ LYS A 61 -3.038 -8.870 -11.153 1.00 0.00 N ATOM 0 H LYS A 61 -3.477 -7.392 -5.326 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.368 -7.755 -5.072 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.080 -8.819 -7.445 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.263 -7.091 -7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.999 -6.658 -7.650 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -3.508 -8.299 -7.281 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -5.177 -8.858 -9.347 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -4.765 -7.216 -9.800 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -2.336 -7.777 -9.489 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -2.788 -9.433 -9.134 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.148 -9.359 -11.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -3.841 -9.485 -11.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.098 -7.991 -11.705 1.00 0.00 H new ATOM 960 N ARG A 62 -6.299 -10.307 -5.198 1.00 0.00 N ATOM 961 CA ARG A 62 -6.258 -11.752 -5.253 1.00 0.00 C ATOM 962 C ARG A 62 -5.507 -12.183 -6.513 1.00 0.00 C ATOM 963 O ARG A 62 -5.897 -11.932 -7.658 1.00 0.00 O ATOM 964 CB ARG A 62 -7.651 -12.347 -4.995 1.00 0.00 C ATOM 965 CG ARG A 62 -8.683 -11.771 -5.948 1.00 0.00 C ATOM 966 CD ARG A 62 -10.126 -12.164 -5.662 1.00 0.00 C ATOM 967 NE ARG A 62 -10.434 -13.580 -5.897 1.00 0.00 N ATOM 968 CZ ARG A 62 -11.635 -14.104 -5.648 1.00 0.00 C ATOM 969 NH1 ARG A 62 -12.594 -13.363 -5.103 1.00 0.00 N ATOM 970 NH2 ARG A 62 -11.880 -15.370 -5.936 1.00 0.00 N ATOM 0 H ARG A 62 -7.241 -9.923 -5.119 1.00 0.00 H new ATOM 0 HA ARG A 62 -5.675 -12.185 -4.440 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -7.613 -13.430 -5.109 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.950 -12.145 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -8.609 -10.684 -5.924 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -8.433 -12.085 -6.961 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -10.355 -11.924 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -10.784 -11.555 -6.282 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.701 -14.187 -6.265 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -12.414 -12.386 -4.872 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -13.510 -13.771 -4.916 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -11.150 -15.949 -6.350 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -12.799 -15.768 -5.744 1.00 0.00 H new ATOM 984 N SER A 63 -4.343 -12.774 -6.273 1.00 0.00 N ATOM 985 CA SER A 63 -3.846 -13.863 -7.093 1.00 0.00 C ATOM 986 C SER A 63 -4.997 -14.834 -7.299 1.00 0.00 C ATOM 987 O SER A 63 -5.771 -15.061 -6.361 1.00 0.00 O ATOM 988 CB SER A 63 -2.645 -14.543 -6.431 1.00 0.00 C ATOM 989 OG SER A 63 -2.642 -15.958 -6.449 1.00 0.00 O ATOM 0 H SER A 63 -3.722 -12.511 -5.508 1.00 0.00 H new ATOM 0 HA SER A 63 -3.494 -13.492 -8.055 1.00 0.00 H new ATOM 0 HB2 SER A 63 -1.738 -14.192 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.593 -14.213 -5.393 1.00 0.00 H new ATOM 0 HG SER A 63 -1.834 -16.289 -6.004 1.00 0.00 H new ATOM 1116 N LYS A 73 -8.338 -17.010 0.730 1.00 0.00 N ATOM 1117 CA LYS A 73 -8.231 -15.869 -0.187 1.00 0.00 C ATOM 1118 C LYS A 73 -6.889 -15.188 0.059 1.00 0.00 C ATOM 1119 O LYS A 73 -6.733 -14.430 1.031 1.00 0.00 O ATOM 1120 CB LYS A 73 -9.414 -14.890 -0.101 1.00 0.00 C ATOM 1121 CG LYS A 73 -10.722 -15.481 -0.667 1.00 0.00 C ATOM 1122 CD LYS A 73 -11.679 -14.365 -1.120 1.00 0.00 C ATOM 1123 CE LYS A 73 -13.149 -14.805 -1.177 1.00 0.00 C ATOM 1124 NZ LYS A 73 -13.489 -15.691 -2.315 1.00 0.00 N ATOM 0 HA LYS A 73 -8.277 -16.241 -1.211 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.570 -14.606 0.940 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.166 -13.979 -0.646 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.496 -16.135 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.207 -16.095 0.092 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.587 -13.519 -0.438 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.374 -14.014 -2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -13.396 -15.319 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.778 -13.916 -1.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.499 -15.937 -2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.289 -15.200 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.919 -16.559 -2.262 1.00 0.00 H new ATOM 1138 N VAL A 74 -5.903 -15.534 -0.761 1.00 0.00 N ATOM 1139 CA VAL A 74 -4.596 -14.900 -0.835 1.00 0.00 C ATOM 1140 C VAL A 74 -4.687 -13.629 -1.687 1.00 0.00 C ATOM 1141 O VAL A 74 -5.621 -13.502 -2.477 1.00 0.00 O ATOM 1142 CB VAL A 74 -3.571 -15.918 -1.394 1.00 0.00 C ATOM 1143 CG1 VAL A 74 -3.679 -17.311 -0.735 1.00 0.00 C ATOM 1144 CG2 VAL A 74 -3.663 -16.150 -2.897 1.00 0.00 C ATOM 0 H VAL A 74 -6.001 -16.303 -1.424 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.257 -14.598 0.156 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.620 -15.442 -1.155 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.935 -17.978 -1.170 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.503 -17.221 0.337 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.675 -17.718 -0.906 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.909 -16.876 -3.200 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -4.654 -16.530 -3.147 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.492 -15.210 -3.421 1.00 0.00 H new ATOM 1154 N VAL A 75 -3.709 -12.720 -1.587 1.00 0.00 N ATOM 1155 CA VAL A 75 -3.542 -11.598 -2.513 1.00 0.00 C ATOM 1156 C VAL A 75 -2.052 -11.336 -2.747 1.00 0.00 C ATOM 1157 O VAL A 75 -1.187 -11.993 -2.159 1.00 0.00 O ATOM 1158 CB VAL A 75 -4.289 -10.331 -2.046 1.00 0.00 C ATOM 1159 CG1 VAL A 75 -5.807 -10.513 -1.939 1.00 0.00 C ATOM 1160 CG2 VAL A 75 -3.697 -9.769 -0.762 1.00 0.00 C ATOM 0 H VAL A 75 -3.004 -12.745 -0.851 1.00 0.00 H new ATOM 0 HA VAL A 75 -3.998 -11.873 -3.464 1.00 0.00 H new ATOM 0 HB VAL A 75 -4.138 -9.594 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.263 -9.581 -1.605 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -6.210 -10.785 -2.914 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.029 -11.303 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.250 -8.878 -0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.765 -10.517 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.651 -9.509 -0.927 1.00 0.00 H new ATOM 1170 N GLU A 76 -1.727 -10.361 -3.591 1.00 0.00 N ATOM 1171 CA GLU A 76 -0.385 -10.091 -4.056 1.00 0.00 C ATOM 1172 C GLU A 76 -0.227 -8.586 -4.261 1.00 0.00 C ATOM 1173 O GLU A 76 -1.219 -7.880 -4.438 1.00 0.00 O ATOM 1174 CB GLU A 76 -0.115 -10.909 -5.328 1.00 0.00 C ATOM 1175 CG GLU A 76 -0.930 -10.493 -6.566 1.00 0.00 C ATOM 1176 CD GLU A 76 -0.746 -11.439 -7.752 1.00 0.00 C ATOM 1177 OE1 GLU A 76 0.272 -12.169 -7.829 1.00 0.00 O ATOM 1178 OE2 GLU A 76 -1.634 -11.462 -8.636 1.00 0.00 O ATOM 0 H GLU A 76 -2.419 -9.720 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 76 0.360 -10.397 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.945 -10.834 -5.570 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.320 -11.958 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.987 -10.454 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.638 -9.486 -6.864 1.00 0.00 H new ATOM 1185 N LEU A 77 1.020 -8.119 -4.201 1.00 0.00 N ATOM 1186 CA LEU A 77 1.393 -6.699 -4.255 1.00 0.00 C ATOM 1187 C LEU A 77 1.435 -6.238 -5.703 1.00 0.00 C ATOM 1188 O LEU A 77 2.072 -6.899 -6.527 1.00 0.00 O ATOM 1189 CB LEU A 77 2.799 -6.481 -3.669 1.00 0.00 C ATOM 1190 CG LEU A 77 2.831 -6.325 -2.144 1.00 0.00 C ATOM 1191 CD1 LEU A 77 4.275 -6.463 -1.667 1.00 0.00 C ATOM 1192 CD2 LEU A 77 2.332 -4.951 -1.697 1.00 0.00 C ATOM 0 H LEU A 77 1.827 -8.736 -4.111 1.00 0.00 H new ATOM 0 HA LEU A 77 0.655 -6.139 -3.681 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.431 -7.324 -3.949 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.235 -5.591 -4.123 1.00 0.00 H new ATOM 0 HG LEU A 77 2.182 -7.092 -1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 77 4.312 -6.354 -0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 77 4.658 -7.444 -1.946 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.887 -5.689 -2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.372 -4.885 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.963 -4.176 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.304 -4.811 -2.031 1.00 0.00 H new ATOM 1204 N VAL A 78 0.811 -5.107 -6.004 1.00 0.00 N ATOM 1205 CA VAL A 78 0.688 -4.532 -7.339 1.00 0.00 C ATOM 1206 C VAL A 78 0.825 -3.019 -7.151 1.00 0.00 C ATOM 1207 O VAL A 78 0.623 -2.526 -6.047 1.00 0.00 O ATOM 1208 CB VAL A 78 -0.686 -4.919 -7.949 1.00 0.00 C ATOM 1209 CG1 VAL A 78 -0.676 -5.044 -9.478 1.00 0.00 C ATOM 1210 CG2 VAL A 78 -1.220 -6.260 -7.441 1.00 0.00 C ATOM 0 H VAL A 78 0.355 -4.538 -5.291 1.00 0.00 H new ATOM 0 HA VAL A 78 1.448 -4.900 -8.028 1.00 0.00 H new ATOM 0 HB VAL A 78 -1.320 -4.091 -7.632 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -1.672 -5.317 -9.827 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -0.385 -4.091 -9.919 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.036 -5.814 -9.775 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -2.183 -6.469 -7.908 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.515 -7.052 -7.694 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -1.343 -6.216 -6.359 1.00 0.00 H new ATOM 1220 N ALA A 79 1.142 -2.263 -8.196 1.00 0.00 N ATOM 1221 CA ALA A 79 1.208 -0.806 -8.136 1.00 0.00 C ATOM 1222 C ALA A 79 0.819 -0.289 -9.518 1.00 0.00 C ATOM 1223 O ALA A 79 1.240 -0.885 -10.510 1.00 0.00 O ATOM 1224 CB ALA A 79 2.623 -0.381 -7.720 1.00 0.00 C ATOM 0 H ALA A 79 1.362 -2.646 -9.115 1.00 0.00 H new ATOM 0 HA ALA A 79 0.527 -0.387 -7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 79 2.677 0.707 -7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.855 -0.798 -6.740 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.343 -0.750 -8.451 1.00 0.00 H new ATOM 1230 N GLU A 80 -0.001 0.759 -9.598 1.00 0.00 N ATOM 1231 CA GLU A 80 -0.506 1.300 -10.858 1.00 0.00 C ATOM 1232 C GLU A 80 -0.587 2.822 -10.738 1.00 0.00 C ATOM 1233 O GLU A 80 -1.243 3.335 -9.838 1.00 0.00 O ATOM 1234 CB GLU A 80 -1.889 0.707 -11.199 1.00 0.00 C ATOM 1235 CG GLU A 80 -1.898 -0.456 -12.199 1.00 0.00 C ATOM 1236 CD GLU A 80 -1.620 -0.036 -13.644 1.00 0.00 C ATOM 1237 OE1 GLU A 80 -0.773 0.855 -13.890 1.00 0.00 O ATOM 1238 OE2 GLU A 80 -2.284 -0.566 -14.564 1.00 0.00 O ATOM 0 H GLU A 80 -0.337 1.262 -8.777 1.00 0.00 H new ATOM 0 HA GLU A 80 0.173 1.029 -11.667 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -2.354 0.367 -10.274 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -2.516 1.505 -11.596 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.151 -1.189 -11.895 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -2.868 -0.952 -12.156 1.00 0.00 H new ATOM 1245 N MET A 81 0.048 3.520 -11.681 1.00 0.00 N ATOM 1246 CA MET A 81 0.268 4.961 -11.759 1.00 0.00 C ATOM 1247 C MET A 81 -1.026 5.798 -11.664 1.00 0.00 C ATOM 1248 O MET A 81 -1.149 6.609 -10.757 1.00 0.00 O ATOM 1249 CB MET A 81 1.050 5.172 -13.080 1.00 0.00 C ATOM 1250 CG MET A 81 0.984 6.537 -13.769 1.00 0.00 C ATOM 1251 SD MET A 81 2.094 7.831 -13.160 1.00 0.00 S ATOM 1252 CE MET A 81 1.275 8.354 -11.639 1.00 0.00 C ATOM 0 H MET A 81 0.459 3.044 -12.484 1.00 0.00 H new ATOM 0 HA MET A 81 0.833 5.321 -10.899 1.00 0.00 H new ATOM 0 HB2 MET A 81 2.099 4.954 -12.880 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.700 4.426 -13.793 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.188 6.389 -14.829 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.039 6.905 -13.690 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.717 9.287 -11.290 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.213 8.506 -11.831 1.00 0.00 H new ATOM 0 HE3 MET A 81 1.400 7.586 -10.876 1.00 0.00 H new ATOM 1262 N ASP A 82 -1.973 5.655 -12.599 1.00 0.00 N ATOM 1263 CA ASP A 82 -3.308 6.279 -12.578 1.00 0.00 C ATOM 1264 C ASP A 82 -4.319 5.349 -11.886 1.00 0.00 C ATOM 1265 O ASP A 82 -5.520 5.611 -11.891 1.00 0.00 O ATOM 1266 CB ASP A 82 -3.837 6.453 -14.022 1.00 0.00 C ATOM 1267 CG ASP A 82 -3.150 7.435 -14.968 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -3.621 8.589 -15.093 1.00 0.00 O ATOM 1269 OD2 ASP A 82 -2.310 6.983 -15.779 1.00 0.00 O ATOM 0 H ASP A 82 -1.827 5.078 -13.427 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.211 7.233 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -3.813 5.472 -14.498 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -4.884 6.748 -13.952 1.00 0.00 H new ATOM 1274 N GLY A 83 -3.890 4.182 -11.394 1.00 0.00 N ATOM 1275 CA GLY A 83 -4.815 3.112 -11.071 1.00 0.00 C ATOM 1276 C GLY A 83 -5.604 2.633 -12.296 1.00 0.00 C ATOM 1277 O GLY A 83 -6.768 2.260 -12.128 1.00 0.00 O ATOM 0 H GLY A 83 -2.910 3.963 -11.214 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.263 2.273 -10.647 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.511 3.455 -10.305 1.00 0.00 H new ATOM 1281 N ILE A 84 -4.994 2.627 -13.499 1.00 0.00 N ATOM 1282 CA ILE A 84 -5.544 2.095 -14.758 1.00 0.00 C ATOM 1283 C ILE A 84 -6.335 0.821 -14.515 1.00 0.00 C ATOM 1284 O ILE A 84 -7.509 0.728 -14.882 1.00 0.00 O ATOM 1285 CB ILE A 84 -4.385 1.865 -15.765 1.00 0.00 C ATOM 1286 CG1 ILE A 84 -4.123 3.186 -16.499 1.00 0.00 C ATOM 1287 CG2 ILE A 84 -4.576 0.695 -16.752 1.00 0.00 C ATOM 1288 CD1 ILE A 84 -2.753 3.238 -17.170 1.00 0.00 C ATOM 0 H ILE A 84 -4.058 3.013 -13.622 1.00 0.00 H new ATOM 0 HA ILE A 84 -6.238 2.820 -15.182 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.518 1.554 -15.183 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -4.896 3.335 -17.253 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -4.205 4.011 -15.791 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -3.708 0.626 -17.407 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.685 -0.236 -16.196 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.470 0.867 -17.351 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.630 4.198 -17.672 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -1.974 3.120 -16.417 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -2.675 2.434 -17.902 1.00 0.00 H new ATOM 1300 N GLN A 85 -5.683 -0.166 -13.916 1.00 0.00 N ATOM 1301 CA GLN A 85 -6.310 -1.362 -13.419 1.00 0.00 C ATOM 1302 C GLN A 85 -6.256 -1.300 -11.897 1.00 0.00 C ATOM 1303 O GLN A 85 -5.536 -0.498 -11.297 1.00 0.00 O ATOM 1304 CB GLN A 85 -5.595 -2.601 -13.998 1.00 0.00 C ATOM 1305 CG GLN A 85 -6.394 -3.307 -15.103 1.00 0.00 C ATOM 1306 CD GLN A 85 -6.362 -2.626 -16.471 1.00 0.00 C ATOM 1307 OE1 GLN A 85 -5.615 -3.031 -17.355 1.00 0.00 O ATOM 1308 NE2 GLN A 85 -7.199 -1.630 -16.710 1.00 0.00 N ATOM 0 H GLN A 85 -4.675 -0.147 -13.763 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.352 -1.439 -13.729 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -4.627 -2.299 -14.397 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -5.401 -3.309 -13.192 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.012 -4.322 -15.212 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.432 -3.390 -14.781 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -7.819 -1.296 -15.972 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.225 -1.196 -17.633 1.00 0.00 H new ATOM 1317 N TYR A 86 -7.014 -2.201 -11.280 1.00 0.00 N ATOM 1318 CA TYR A 86 -6.959 -2.568 -9.870 1.00 0.00 C ATOM 1319 C TYR A 86 -7.609 -1.535 -8.948 1.00 0.00 C ATOM 1320 O TYR A 86 -8.394 -1.944 -8.098 1.00 0.00 O ATOM 1321 CB TYR A 86 -5.531 -2.955 -9.453 1.00 0.00 C ATOM 1322 CG TYR A 86 -4.862 -3.893 -10.439 1.00 0.00 C ATOM 1323 CD1 TYR A 86 -5.517 -5.078 -10.816 1.00 0.00 C ATOM 1324 CD2 TYR A 86 -3.646 -3.537 -11.056 1.00 0.00 C ATOM 1325 CE1 TYR A 86 -4.952 -5.912 -11.793 1.00 0.00 C ATOM 1326 CE2 TYR A 86 -3.075 -4.371 -12.035 1.00 0.00 C ATOM 1327 CZ TYR A 86 -3.717 -5.581 -12.381 1.00 0.00 C ATOM 1328 OH TYR A 86 -3.136 -6.480 -13.210 1.00 0.00 O ATOM 0 H TYR A 86 -7.728 -2.727 -11.784 1.00 0.00 H new ATOM 0 HA TYR A 86 -7.574 -3.459 -9.747 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -4.930 -2.051 -9.353 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -5.560 -3.428 -8.472 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -6.455 -5.347 -10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -3.150 -2.619 -10.776 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -5.467 -6.812 -12.095 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.152 -4.088 -12.519 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.289 -6.117 -13.544 1.00 0.00 H new ATOM 1338 N GLY A 87 -7.386 -0.233 -9.130 1.00 0.00 N ATOM 1339 CA GLY A 87 -7.973 0.792 -8.270 1.00 0.00 C ATOM 1340 C GLY A 87 -9.495 0.742 -8.279 1.00 0.00 C ATOM 1341 O GLY A 87 -10.136 0.723 -7.230 1.00 0.00 O ATOM 0 H GLY A 87 -6.796 0.138 -9.875 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -7.612 0.660 -7.250 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -7.641 1.776 -8.600 1.00 0.00 H new ATOM 1345 N ARG A 88 -10.082 0.691 -9.469 1.00 0.00 N ATOM 1346 CA ARG A 88 -11.523 0.603 -9.695 1.00 0.00 C ATOM 1347 C ARG A 88 -12.075 -0.807 -9.425 1.00 0.00 C ATOM 1348 O ARG A 88 -13.237 -1.064 -9.725 1.00 0.00 O ATOM 1349 CB ARG A 88 -11.745 1.064 -11.151 1.00 0.00 C ATOM 1350 CG ARG A 88 -13.135 1.590 -11.524 1.00 0.00 C ATOM 1351 CD ARG A 88 -14.078 0.498 -12.037 1.00 0.00 C ATOM 1352 NE ARG A 88 -14.897 0.959 -13.159 1.00 0.00 N ATOM 1353 CZ ARG A 88 -15.837 0.233 -13.766 1.00 0.00 C ATOM 1354 NH1 ARG A 88 -16.159 -0.985 -13.345 1.00 0.00 N ATOM 1355 NH2 ARG A 88 -16.457 0.764 -14.807 1.00 0.00 N ATOM 0 H ARG A 88 -9.548 0.710 -10.338 1.00 0.00 H new ATOM 0 HA ARG A 88 -12.072 1.237 -8.998 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.019 1.847 -11.370 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.516 0.225 -11.808 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.582 2.066 -10.651 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.031 2.360 -12.289 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.494 -0.368 -12.347 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -14.728 0.170 -11.225 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.737 1.906 -13.502 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -15.683 -1.388 -12.538 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -16.882 -1.517 -13.829 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -16.211 1.702 -15.123 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -17.181 0.235 -15.294 1.00 0.00 H new ATOM 1369 N SER A 89 -11.260 -1.771 -8.996 1.00 0.00 N ATOM 1370 CA SER A 89 -11.491 -3.179 -9.294 1.00 0.00 C ATOM 1371 C SER A 89 -11.832 -3.950 -8.019 1.00 0.00 C ATOM 1372 O SER A 89 -11.085 -3.888 -7.044 1.00 0.00 O ATOM 1373 CB SER A 89 -10.223 -3.704 -9.977 1.00 0.00 C ATOM 1374 OG SER A 89 -10.512 -4.632 -10.995 1.00 0.00 O ATOM 0 H SER A 89 -10.426 -1.596 -8.435 1.00 0.00 H new ATOM 0 HA SER A 89 -12.345 -3.312 -9.958 1.00 0.00 H new ATOM 0 HB2 SER A 89 -9.666 -2.867 -10.398 1.00 0.00 H new ATOM 0 HB3 SER A 89 -9.579 -4.173 -9.233 1.00 0.00 H new ATOM 0 HG SER A 89 -9.676 -4.939 -11.404 1.00 0.00 H new ATOM 1380 N GLY A 90 -12.926 -4.716 -8.023 1.00 0.00 N ATOM 1381 CA GLY A 90 -13.382 -5.503 -6.875 1.00 0.00 C ATOM 1382 C GLY A 90 -12.521 -6.736 -6.581 1.00 0.00 C ATOM 1383 O GLY A 90 -12.711 -7.399 -5.559 1.00 0.00 O ATOM 0 H GLY A 90 -13.531 -4.808 -8.839 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.396 -4.864 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -14.409 -5.824 -7.052 1.00 0.00 H new ATOM 1387 N ILE A 91 -11.582 -7.078 -7.467 1.00 0.00 N ATOM 1388 CA ILE A 91 -10.508 -8.031 -7.186 1.00 0.00 C ATOM 1389 C ILE A 91 -9.555 -7.488 -6.118 1.00 0.00 C ATOM 1390 O ILE A 91 -8.878 -8.262 -5.434 1.00 0.00 O ATOM 1391 CB ILE A 91 -9.766 -8.335 -8.503 1.00 0.00 C ATOM 1392 CG1 ILE A 91 -8.825 -9.533 -8.404 1.00 0.00 C ATOM 1393 CG2 ILE A 91 -9.061 -7.107 -9.113 1.00 0.00 C ATOM 1394 CD1 ILE A 91 -8.159 -9.929 -9.723 1.00 0.00 C ATOM 0 H ILE A 91 -11.547 -6.695 -8.412 1.00 0.00 H new ATOM 0 HA ILE A 91 -10.930 -8.954 -6.788 1.00 0.00 H new ATOM 0 HB ILE A 91 -10.556 -8.613 -9.201 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -8.048 -9.309 -7.673 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -9.384 -10.388 -8.023 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -8.561 -7.397 -10.037 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -9.798 -6.333 -9.327 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -8.325 -6.722 -8.407 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -7.509 -10.788 -9.559 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -8.925 -10.188 -10.454 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -7.568 -9.093 -10.098 1.00 0.00 H new ATOM 1406 N THR A 92 -9.453 -6.164 -6.014 1.00 0.00 N ATOM 1407 CA THR A 92 -8.541 -5.531 -5.097 1.00 0.00 C ATOM 1408 C THR A 92 -9.219 -5.471 -3.731 1.00 0.00 C ATOM 1409 O THR A 92 -10.418 -5.192 -3.641 1.00 0.00 O ATOM 1410 CB THR A 92 -8.187 -4.132 -5.613 1.00 0.00 C ATOM 1411 OG1 THR A 92 -7.730 -4.233 -6.945 1.00 0.00 O ATOM 1412 CG2 THR A 92 -7.120 -3.418 -4.779 1.00 0.00 C ATOM 0 H THR A 92 -10.006 -5.510 -6.569 1.00 0.00 H new ATOM 0 HA THR A 92 -7.611 -6.094 -5.011 1.00 0.00 H new ATOM 0 HB THR A 92 -9.096 -3.535 -5.542 1.00 0.00 H new ATOM 0 HG1 THR A 92 -8.240 -3.619 -7.513 1.00 0.00 H new ATOM 0 HG21 THR A 92 -6.923 -2.435 -5.206 1.00 0.00 H new ATOM 0 HG22 THR A 92 -7.475 -3.305 -3.755 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.202 -4.006 -4.782 1.00 0.00 H new ATOM 1420 N LEU A 93 -8.467 -5.700 -2.655 1.00 0.00 N ATOM 1421 CA LEU A 93 -9.006 -5.641 -1.299 1.00 0.00 C ATOM 1422 C LEU A 93 -8.696 -4.294 -0.648 1.00 0.00 C ATOM 1423 O LEU A 93 -9.526 -3.810 0.125 1.00 0.00 O ATOM 1424 CB LEU A 93 -8.525 -6.826 -0.461 1.00 0.00 C ATOM 1425 CG LEU A 93 -8.835 -8.196 -1.099 1.00 0.00 C ATOM 1426 CD1 LEU A 93 -8.223 -9.262 -0.206 1.00 0.00 C ATOM 1427 CD2 LEU A 93 -10.324 -8.510 -1.305 1.00 0.00 C ATOM 0 H LEU A 93 -7.474 -5.930 -2.699 1.00 0.00 H new ATOM 0 HA LEU A 93 -10.092 -5.722 -1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.449 -6.740 -0.308 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -8.991 -6.778 0.523 1.00 0.00 H new ATOM 0 HG LEU A 93 -8.411 -8.175 -2.103 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -8.423 -10.248 -0.627 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -7.146 -9.107 -0.140 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -8.661 -9.197 0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.429 -9.495 -1.759 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -10.835 -8.498 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.767 -7.760 -1.960 1.00 0.00 H new ATOM 1439 N GLY A 94 -7.577 -3.646 -0.995 1.00 0.00 N ATOM 1440 CA GLY A 94 -7.333 -2.252 -0.654 1.00 0.00 C ATOM 1441 C GLY A 94 -5.983 -1.795 -1.194 1.00 0.00 C ATOM 1442 O GLY A 94 -5.442 -2.446 -2.094 1.00 0.00 O ATOM 0 H GLY A 94 -6.818 -4.080 -1.521 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -8.126 -1.627 -1.066 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -7.359 -2.127 0.429 1.00 0.00 H new ATOM 1446 N VAL A 95 -5.453 -0.684 -0.672 1.00 0.00 N ATOM 1447 CA VAL A 95 -4.157 -0.135 -1.074 1.00 0.00 C ATOM 1448 C VAL A 95 -3.274 0.144 0.132 1.00 0.00 C ATOM 1449 O VAL A 95 -3.786 0.518 1.181 1.00 0.00 O ATOM 1450 CB VAL A 95 -4.365 1.034 -2.050 1.00 0.00 C ATOM 1451 CG1 VAL A 95 -4.930 2.397 -1.716 1.00 0.00 C ATOM 1452 CG2 VAL A 95 -3.108 1.278 -2.881 1.00 0.00 C ATOM 0 H VAL A 95 -5.919 -0.135 0.050 1.00 0.00 H new ATOM 0 HA VAL A 95 -3.586 -0.874 -1.636 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.242 0.584 -2.516 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.954 3.011 -2.616 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.941 2.286 -1.325 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -4.302 2.877 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.279 2.110 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.275 1.517 -2.220 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.871 0.381 -3.453 1.00 0.00 H new ATOM 1462 N LEU A 96 -1.978 -0.146 0.028 1.00 0.00 N ATOM 1463 CA LEU A 96 -1.080 -0.158 1.164 1.00 0.00 C ATOM 1464 C LEU A 96 -0.441 1.198 1.362 1.00 0.00 C ATOM 1465 O LEU A 96 -0.040 1.859 0.404 1.00 0.00 O ATOM 1466 CB LEU A 96 -0.024 -1.257 0.992 1.00 0.00 C ATOM 1467 CG LEU A 96 -0.476 -2.607 1.580 1.00 0.00 C ATOM 1468 CD1 LEU A 96 -1.938 -2.973 1.313 1.00 0.00 C ATOM 1469 CD2 LEU A 96 0.439 -3.717 1.064 1.00 0.00 C ATOM 0 H LEU A 96 -1.526 -0.380 -0.856 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.656 -0.379 2.062 1.00 0.00 H new ATOM 0 HB2 LEU A 96 0.196 -1.382 -0.068 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.902 -0.946 1.476 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.400 -2.499 2.662 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.160 -3.939 1.766 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.588 -2.212 1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -2.109 -3.029 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.121 -4.673 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.384 -3.757 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.466 -3.513 1.368 1.00 0.00 H new ATOM 1481 N VAL A 97 -0.320 1.582 2.625 1.00 0.00 N ATOM 1482 CA VAL A 97 0.203 2.860 3.091 1.00 0.00 C ATOM 1483 C VAL A 97 1.116 2.588 4.289 1.00 0.00 C ATOM 1484 O VAL A 97 0.989 1.518 4.899 1.00 0.00 O ATOM 1485 CB VAL A 97 -0.973 3.810 3.424 1.00 0.00 C ATOM 1486 CG1 VAL A 97 -1.727 4.153 2.127 1.00 0.00 C ATOM 1487 CG2 VAL A 97 -1.952 3.243 4.479 1.00 0.00 C ATOM 0 H VAL A 97 -0.600 0.976 3.396 1.00 0.00 H new ATOM 0 HA VAL A 97 0.794 3.359 2.323 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.543 4.707 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.557 4.822 2.355 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -1.047 4.642 1.429 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.112 3.238 1.677 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.749 3.964 4.660 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.382 2.311 4.112 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.415 3.054 5.409 1.00 0.00 H new ATOM 1497 N PRO A 98 2.043 3.491 4.640 1.00 0.00 N ATOM 1498 CA PRO A 98 2.803 3.358 5.868 1.00 0.00 C ATOM 1499 C PRO A 98 1.857 3.544 7.060 1.00 0.00 C ATOM 1500 O PRO A 98 1.136 4.535 7.166 1.00 0.00 O ATOM 1501 CB PRO A 98 3.935 4.386 5.798 1.00 0.00 C ATOM 1502 CG PRO A 98 3.476 5.402 4.756 1.00 0.00 C ATOM 1503 CD PRO A 98 2.424 4.690 3.909 1.00 0.00 C ATOM 0 HA PRO A 98 3.250 2.372 5.996 1.00 0.00 H new ATOM 0 HB2 PRO A 98 4.100 4.859 6.766 1.00 0.00 H new ATOM 0 HB3 PRO A 98 4.876 3.919 5.507 1.00 0.00 H new ATOM 0 HG2 PRO A 98 3.058 6.289 5.233 1.00 0.00 H new ATOM 0 HG3 PRO A 98 4.312 5.735 4.141 1.00 0.00 H new ATOM 0 HD2 PRO A 98 1.560 5.333 3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 98 2.824 4.435 2.928 1.00 0.00 H new ATOM 1511 N HIS A 99 1.814 2.554 7.951 1.00 0.00 N ATOM 1512 CA HIS A 99 1.095 2.667 9.206 1.00 0.00 C ATOM 1513 C HIS A 99 1.935 3.542 10.131 1.00 0.00 C ATOM 1514 O HIS A 99 2.898 3.055 10.720 1.00 0.00 O ATOM 1515 CB HIS A 99 0.812 1.282 9.816 1.00 0.00 C ATOM 1516 CG HIS A 99 0.364 1.317 11.261 1.00 0.00 C ATOM 1517 ND1 HIS A 99 0.740 0.430 12.248 1.00 0.00 N ATOM 1518 CD2 HIS A 99 -0.420 2.275 11.848 1.00 0.00 C ATOM 1519 CE1 HIS A 99 0.178 0.839 13.398 1.00 0.00 C ATOM 1520 NE2 HIS A 99 -0.520 1.973 13.205 1.00 0.00 N ATOM 0 H HIS A 99 2.278 1.655 7.818 1.00 0.00 H new ATOM 0 HA HIS A 99 0.118 3.124 9.050 1.00 0.00 H new ATOM 0 HB2 HIS A 99 0.044 0.786 9.222 1.00 0.00 H new ATOM 0 HB3 HIS A 99 1.714 0.674 9.742 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -0.879 3.115 11.348 1.00 0.00 H new ATOM 0 HE1 HIS A 99 0.273 0.329 14.345 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -1.024 2.507 13.913 1.00 0.00 H new ATOM 1528 N VAL A 100 1.542 4.803 10.292 1.00 0.00 N ATOM 1529 CA VAL A 100 2.205 5.793 11.135 1.00 0.00 C ATOM 1530 C VAL A 100 1.294 6.156 12.322 1.00 0.00 C ATOM 1531 O VAL A 100 0.977 7.319 12.574 1.00 0.00 O ATOM 1532 CB VAL A 100 2.726 6.936 10.229 1.00 0.00 C ATOM 1533 CG1 VAL A 100 1.660 7.575 9.326 1.00 0.00 C ATOM 1534 CG2 VAL A 100 3.461 8.032 11.007 1.00 0.00 C ATOM 0 H VAL A 100 0.719 5.178 9.819 1.00 0.00 H new ATOM 0 HA VAL A 100 3.102 5.420 11.630 1.00 0.00 H new ATOM 0 HB VAL A 100 3.437 6.428 9.577 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.115 8.364 8.728 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.240 6.816 8.666 1.00 0.00 H new ATOM 0 HG13 VAL A 100 0.867 7.998 9.943 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.801 8.803 10.316 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.785 8.474 11.740 1.00 0.00 H new ATOM 0 HG23 VAL A 100 4.320 7.600 11.520 1.00 0.00 H new ATOM 1544 N GLY A 101 0.837 5.137 13.057 1.00 0.00 N ATOM 1545 CA GLY A 101 0.177 5.320 14.344 1.00 0.00 C ATOM 1546 C GLY A 101 -1.209 5.944 14.267 1.00 0.00 C ATOM 1547 O GLY A 101 -1.693 6.456 15.270 1.00 0.00 O ATOM 0 H GLY A 101 0.917 4.161 12.771 1.00 0.00 H new ATOM 0 HA2 GLY A 101 0.097 4.351 14.837 1.00 0.00 H new ATOM 0 HA3 GLY A 101 0.808 5.947 14.974 1.00 0.00 H new ATOM 1551 N GLU A 102 -1.844 5.925 13.097 1.00 0.00 N ATOM 1552 CA GLU A 102 -3.034 6.720 12.789 1.00 0.00 C ATOM 1553 C GLU A 102 -4.321 6.203 13.465 1.00 0.00 C ATOM 1554 O GLU A 102 -5.382 6.792 13.285 1.00 0.00 O ATOM 1555 CB GLU A 102 -3.199 6.769 11.263 1.00 0.00 C ATOM 1556 CG GLU A 102 -1.966 7.239 10.477 1.00 0.00 C ATOM 1557 CD GLU A 102 -1.679 8.743 10.594 1.00 0.00 C ATOM 1558 OE1 GLU A 102 -1.765 9.299 11.712 1.00 0.00 O ATOM 1559 OE2 GLU A 102 -1.287 9.388 9.596 1.00 0.00 O ATOM 0 H GLU A 102 -1.539 5.343 12.317 1.00 0.00 H new ATOM 0 HA GLU A 102 -2.882 7.719 13.197 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -3.473 5.774 10.913 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.032 7.431 11.027 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.094 6.686 10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -2.102 6.988 9.425 1.00 0.00 H new ATOM 1566 N THR A 103 -4.215 5.120 14.242 1.00 0.00 N ATOM 1567 CA THR A 103 -5.266 4.446 15.010 1.00 0.00 C ATOM 1568 C THR A 103 -6.231 3.683 14.081 1.00 0.00 C ATOM 1569 O THR A 103 -7.029 4.299 13.377 1.00 0.00 O ATOM 1570 CB THR A 103 -5.937 5.415 16.019 1.00 0.00 C ATOM 1571 OG1 THR A 103 -5.307 5.271 17.284 1.00 0.00 O ATOM 1572 CG2 THR A 103 -7.437 5.196 16.262 1.00 0.00 C ATOM 0 H THR A 103 -3.316 4.653 14.359 1.00 0.00 H new ATOM 0 HA THR A 103 -4.818 3.673 15.635 1.00 0.00 H new ATOM 0 HB THR A 103 -5.822 6.400 15.567 1.00 0.00 H new ATOM 0 HG1 THR A 103 -5.723 5.881 17.928 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.799 5.928 16.983 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.978 5.313 15.323 1.00 0.00 H new ATOM 0 HG23 THR A 103 -7.599 4.191 16.652 1.00 0.00 H new ATOM 1580 N PRO A 104 -6.160 2.339 14.021 1.00 0.00 N ATOM 1581 CA PRO A 104 -7.026 1.571 13.145 1.00 0.00 C ATOM 1582 C PRO A 104 -8.425 1.408 13.722 1.00 0.00 C ATOM 1583 O PRO A 104 -8.597 1.266 14.936 1.00 0.00 O ATOM 1584 CB PRO A 104 -6.345 0.214 12.972 1.00 0.00 C ATOM 1585 CG PRO A 104 -5.551 0.045 14.264 1.00 0.00 C ATOM 1586 CD PRO A 104 -5.168 1.475 14.638 1.00 0.00 C ATOM 0 HA PRO A 104 -7.161 2.082 12.192 1.00 0.00 H new ATOM 0 HB2 PRO A 104 -7.073 -0.586 12.841 1.00 0.00 H new ATOM 0 HB3 PRO A 104 -5.695 0.200 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 104 -6.149 -0.427 15.044 1.00 0.00 H new ATOM 0 HG3 PRO A 104 -4.671 -0.580 14.115 1.00 0.00 H new ATOM 0 HD2 PRO A 104 -5.159 1.604 15.720 1.00 0.00 H new ATOM 0 HD3 PRO A 104 -4.167 1.715 14.280 1.00 0.00 H new ATOM 1594 N ILE A 105 -9.397 1.331 12.816 1.00 0.00 N ATOM 1595 CA ILE A 105 -10.789 0.991 13.097 1.00 0.00 C ATOM 1596 C ILE A 105 -11.055 -0.512 12.904 1.00 0.00 C ATOM 1597 O ILE A 105 -12.110 -1.013 13.291 1.00 0.00 O ATOM 1598 CB ILE A 105 -11.720 1.822 12.184 1.00 0.00 C ATOM 1599 CG1 ILE A 105 -11.488 1.548 10.671 1.00 0.00 C ATOM 1600 CG2 ILE A 105 -11.666 3.314 12.569 1.00 0.00 C ATOM 1601 CD1 ILE A 105 -10.602 2.552 9.936 1.00 0.00 C ATOM 0 H ILE A 105 -9.229 1.511 11.826 1.00 0.00 H new ATOM 0 HA ILE A 105 -10.994 1.228 14.141 1.00 0.00 H new ATOM 0 HB ILE A 105 -12.744 1.491 12.357 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.045 0.558 10.565 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -12.458 1.518 10.175 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.328 3.883 11.915 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -11.987 3.435 13.604 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -10.645 3.681 12.460 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -10.511 2.260 8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -11.048 3.545 9.998 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -9.613 2.569 10.395 1.00 0.00 H new ATOM 1613 N ALA A 106 -10.145 -1.227 12.236 1.00 0.00 N ATOM 1614 CA ALA A 106 -10.330 -2.607 11.829 1.00 0.00 C ATOM 1615 C ALA A 106 -8.981 -3.220 11.494 1.00 0.00 C ATOM 1616 O ALA A 106 -7.972 -2.518 11.397 1.00 0.00 O ATOM 1617 CB ALA A 106 -11.252 -2.655 10.594 1.00 0.00 C ATOM 0 H ALA A 106 -9.240 -0.845 11.961 1.00 0.00 H new ATOM 0 HA ALA A 106 -10.787 -3.173 12.641 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -11.393 -3.691 10.285 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -12.218 -2.216 10.844 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -10.798 -2.092 9.779 1.00 0.00 H new ATOM 1623 N TYR A 107 -8.978 -4.522 11.245 1.00 0.00 N ATOM 1624 CA TYR A 107 -7.852 -5.263 10.715 1.00 0.00 C ATOM 1625 C TYR A 107 -8.360 -6.118 9.571 1.00 0.00 C ATOM 1626 O TYR A 107 -9.483 -6.624 9.586 1.00 0.00 O ATOM 1627 CB TYR A 107 -7.207 -6.110 11.816 1.00 0.00 C ATOM 1628 CG TYR A 107 -6.218 -5.319 12.645 1.00 0.00 C ATOM 1629 CD1 TYR A 107 -6.662 -4.465 13.675 1.00 0.00 C ATOM 1630 CD2 TYR A 107 -4.852 -5.369 12.314 1.00 0.00 C ATOM 1631 CE1 TYR A 107 -5.729 -3.717 14.418 1.00 0.00 C ATOM 1632 CE2 TYR A 107 -3.924 -4.608 13.041 1.00 0.00 C ATOM 1633 CZ TYR A 107 -4.349 -3.823 14.134 1.00 0.00 C ATOM 1634 OH TYR A 107 -3.426 -3.124 14.853 1.00 0.00 O ATOM 0 H TYR A 107 -9.794 -5.110 11.415 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.080 -4.587 10.347 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.985 -6.510 12.466 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -6.699 -6.963 11.365 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -7.717 -4.385 13.894 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -4.517 -5.994 11.499 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -6.069 -3.061 15.206 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -2.880 -4.623 12.763 1.00 0.00 H new ATOM 0 HH TYR A 107 -2.528 -3.324 14.515 1.00 0.00 H new ATOM 1644 N ARG A 108 -7.512 -6.280 8.562 1.00 0.00 N ATOM 1645 CA ARG A 108 -7.787 -7.084 7.384 1.00 0.00 C ATOM 1646 C ARG A 108 -6.643 -8.068 7.233 1.00 0.00 C ATOM 1647 O ARG A 108 -5.528 -7.793 7.666 1.00 0.00 O ATOM 1648 CB ARG A 108 -7.983 -6.156 6.179 1.00 0.00 C ATOM 1649 CG ARG A 108 -9.370 -5.485 6.208 1.00 0.00 C ATOM 1650 CD ARG A 108 -10.455 -6.440 5.722 1.00 0.00 C ATOM 1651 NE ARG A 108 -11.800 -5.876 5.897 1.00 0.00 N ATOM 1652 CZ ARG A 108 -12.899 -6.336 5.295 1.00 0.00 C ATOM 1653 NH1 ARG A 108 -12.872 -7.448 4.569 1.00 0.00 N ATOM 1654 NH2 ARG A 108 -14.049 -5.685 5.415 1.00 0.00 N ATOM 0 H ARG A 108 -6.591 -5.843 8.543 1.00 0.00 H new ATOM 0 HA ARG A 108 -8.709 -7.660 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.207 -5.391 6.177 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.872 -6.726 5.257 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -9.598 -5.158 7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -9.359 -4.594 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.292 -6.669 4.669 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -10.382 -7.381 6.268 1.00 0.00 H new ATOM 0 HE ARG A 108 -11.901 -5.077 6.522 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -12.000 -7.967 4.464 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -13.723 -7.783 4.117 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -14.095 -4.830 5.969 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -14.886 -6.040 4.953 1.00 0.00 H new ATOM 1668 N ASN A 109 -6.930 -9.233 6.672 1.00 0.00 N ATOM 1669 CA ASN A 109 -6.165 -10.452 6.816 1.00 0.00 C ATOM 1670 C ASN A 109 -6.135 -11.133 5.460 1.00 0.00 C ATOM 1671 O ASN A 109 -7.174 -11.316 4.816 1.00 0.00 O ATOM 1672 CB ASN A 109 -6.844 -11.364 7.842 1.00 0.00 C ATOM 1673 CG ASN A 109 -8.346 -11.527 7.605 1.00 0.00 C ATOM 1674 OD1 ASN A 109 -9.138 -10.622 7.874 1.00 0.00 O ATOM 1675 ND2 ASN A 109 -8.780 -12.652 7.078 1.00 0.00 N ATOM 0 H ASN A 109 -7.747 -9.355 6.073 1.00 0.00 H new ATOM 0 HA ASN A 109 -5.153 -10.238 7.159 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -6.370 -12.345 7.815 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -6.683 -10.959 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -9.775 -12.777 6.891 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -8.122 -13.399 6.857 1.00 0.00 H new ATOM 1682 N VAL A 110 -4.941 -11.479 5.005 1.00 0.00 N ATOM 1683 CA VAL A 110 -4.679 -12.000 3.677 1.00 0.00 C ATOM 1684 C VAL A 110 -3.507 -12.979 3.766 1.00 0.00 C ATOM 1685 O VAL A 110 -2.889 -13.126 4.817 1.00 0.00 O ATOM 1686 CB VAL A 110 -4.378 -10.828 2.721 1.00 0.00 C ATOM 1687 CG1 VAL A 110 -5.586 -9.902 2.496 1.00 0.00 C ATOM 1688 CG2 VAL A 110 -3.180 -9.970 3.161 1.00 0.00 C ATOM 0 H VAL A 110 -4.098 -11.401 5.574 1.00 0.00 H new ATOM 0 HA VAL A 110 -5.546 -12.532 3.284 1.00 0.00 H new ATOM 0 HB VAL A 110 -4.129 -11.322 1.782 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -5.307 -9.099 1.814 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.408 -10.474 2.066 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.900 -9.476 3.449 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -3.026 -9.165 2.443 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -3.378 -9.545 4.145 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -2.285 -10.591 3.207 1.00 0.00 H new ATOM 1698 N LEU A 111 -3.171 -13.660 2.674 1.00 0.00 N ATOM 1699 CA LEU A 111 -1.888 -14.333 2.539 1.00 0.00 C ATOM 1700 C LEU A 111 -1.085 -13.544 1.505 1.00 0.00 C ATOM 1701 O LEU A 111 -1.666 -12.784 0.724 1.00 0.00 O ATOM 1702 CB LEU A 111 -2.108 -15.752 2.018 1.00 0.00 C ATOM 1703 CG LEU A 111 -2.683 -16.882 2.879 1.00 0.00 C ATOM 1704 CD1 LEU A 111 -1.698 -17.404 3.911 1.00 0.00 C ATOM 1705 CD2 LEU A 111 -4.049 -16.550 3.488 1.00 0.00 C ATOM 0 H LEU A 111 -3.780 -13.759 1.862 1.00 0.00 H new ATOM 0 HA LEU A 111 -1.370 -14.385 3.497 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -2.760 -15.664 1.149 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -1.141 -16.101 1.656 1.00 0.00 H new ATOM 0 HG LEU A 111 -2.861 -17.704 2.185 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -2.165 -18.202 4.488 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -0.813 -17.791 3.406 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -1.408 -16.594 4.580 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -4.396 -17.394 4.085 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -3.960 -15.669 4.123 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -4.764 -16.351 2.690 1.00 0.00 H new ATOM 1717 N LEU A 112 0.220 -13.792 1.437 1.00 0.00 N ATOM 1718 CA LEU A 112 1.161 -13.325 0.421 1.00 0.00 C ATOM 1719 C LEU A 112 1.798 -14.560 -0.216 1.00 0.00 C ATOM 1720 O LEU A 112 1.972 -15.587 0.443 1.00 0.00 O ATOM 1721 CB LEU A 112 2.266 -12.458 1.067 1.00 0.00 C ATOM 1722 CG LEU A 112 2.741 -11.245 0.242 1.00 0.00 C ATOM 1723 CD1 LEU A 112 3.980 -10.651 0.909 1.00 0.00 C ATOM 1724 CD2 LEU A 112 3.076 -11.512 -1.232 1.00 0.00 C ATOM 0 H LEU A 112 0.682 -14.367 2.142 1.00 0.00 H new ATOM 0 HA LEU A 112 0.641 -12.720 -0.322 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.902 -12.098 2.029 1.00 0.00 H new ATOM 0 HB3 LEU A 112 3.127 -13.094 1.270 1.00 0.00 H new ATOM 0 HG LEU A 112 1.887 -10.568 0.228 1.00 0.00 H new ATOM 0 HD11 LEU A 112 4.326 -9.792 0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.731 -10.334 1.922 1.00 0.00 H new ATOM 0 HD13 LEU A 112 4.768 -11.403 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 112 3.397 -10.585 -1.706 1.00 0.00 H new ATOM 0 HD22 LEU A 112 3.877 -12.249 -1.295 1.00 0.00 H new ATOM 0 HD23 LEU A 112 2.192 -11.893 -1.743 1.00 0.00 H new ATOM 1736 N ARG A 113 2.166 -14.464 -1.489 1.00 0.00 N ATOM 1737 CA ARG A 113 2.894 -15.500 -2.210 1.00 0.00 C ATOM 1738 C ARG A 113 4.226 -15.787 -1.539 1.00 0.00 C ATOM 1739 O ARG A 113 4.866 -14.871 -1.021 1.00 0.00 O ATOM 1740 CB ARG A 113 3.168 -15.010 -3.641 1.00 0.00 C ATOM 1741 CG ARG A 113 1.861 -14.930 -4.422 1.00 0.00 C ATOM 1742 CD ARG A 113 1.961 -14.627 -5.915 1.00 0.00 C ATOM 1743 NE ARG A 113 2.363 -13.239 -6.240 1.00 0.00 N ATOM 1744 CZ ARG A 113 3.587 -12.686 -6.218 1.00 0.00 C ATOM 1745 NH1 ARG A 113 4.672 -13.419 -5.994 1.00 0.00 N ATOM 1746 NH2 ARG A 113 3.728 -11.380 -6.417 1.00 0.00 N ATOM 0 H ARG A 113 1.961 -13.644 -2.061 1.00 0.00 H new ATOM 0 HA ARG A 113 2.293 -16.409 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 113 3.646 -14.031 -3.614 1.00 0.00 H new ATOM 0 HB3 ARG A 113 3.859 -15.688 -4.141 1.00 0.00 H new ATOM 0 HG2 ARG A 113 1.337 -15.879 -4.304 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.238 -14.163 -3.962 1.00 0.00 H new ATOM 0 HD2 ARG A 113 2.679 -15.313 -6.364 1.00 0.00 H new ATOM 0 HD3 ARG A 113 0.995 -14.829 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 113 1.605 -12.616 -6.519 1.00 0.00 H new ATOM 0 HH11 ARG A 113 4.585 -14.423 -5.834 1.00 0.00 H new ATOM 0 HH12 ARG A 113 5.592 -12.978 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG A 113 2.907 -10.798 -6.586 1.00 0.00 H new ATOM 0 HH22 ARG A 113 4.657 -10.959 -6.401 1.00 0.00 H new