USER MOD reduce.3.24.130724 H: found=0, std=0, add=647, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 648 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 56 SER OG : rot 160:sc=9.05e-05 USER MOD Set 1.2: A 57 MET CE :methyl 166:sc= -2.79 (180deg=-3.45!) USER MOD Set 2.1: A 45 LYS NZ :NH3+ -150:sc= 1.17 (180deg=-0.226) USER MOD Set 2.2: A 48 ASN : amide:sc= 1.02 K(o=2.2,f=-4.8) USER MOD Set 3.1: A 33 GLN : amide:sc= 0.166 K(o=1.4,f=-6.1!) USER MOD Set 3.2: A 76 LYS NZ :NH3+ 159:sc= 1.27 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -52:sc= 0.609 USER MOD Single : A 24 GLN : amide:sc= -1.04 K(o=-1,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0165) USER MOD Single : A 30 GLN : amide:sc= -2.41! C(o=-2.4!,f=-5.7!) USER MOD Single : A 32 GLN : amide:sc= -1.08 K(o=-1.1,f=-1.7) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 38 THR OG1 : rot -68:sc= 1.15 USER MOD Single : A 43 CYS SG : rot -164:sc= 1.24 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.0517 X(o=-0.052,f=-0.054) USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot -162:sc= 1.23 USER MOD Single : A 54 SER OG : rot -59:sc= -1.6! USER MOD Single : A 55 ASN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 60 THR OG1 : rot 73:sc= 0.634 USER MOD Single : A 64 GLN : amide:sc= -0.017 K(o=-0.017,f=-1.2) USER MOD Single : A 65 LYS NZ :NH3+ -116:sc= 0.737 (180deg=-0.0432) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl 152:sc= -2.21! (180deg=-3.7!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 LYS NZ :NH3+ -122:sc= 0.122 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -128:sc= 0.0374 (180deg=-0.00399) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 MET CE :methyl 138:sc= -3.01 (180deg=-3.6!) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 THR OG1 : rot -2:sc= 0.348 USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00167 USER MOD Single : A 98 THR OG1 : rot 180:sc= -0.0808 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 19 12.225 -11.610 -12.066 1.00 0.00 N ATOM 2 CA THR A 19 10.870 -11.201 -12.497 1.00 0.00 C ATOM 3 C THR A 19 10.033 -10.767 -11.288 1.00 0.00 C ATOM 4 O THR A 19 8.874 -11.160 -11.130 1.00 0.00 O ATOM 5 CB THR A 19 10.170 -12.339 -13.285 1.00 0.00 C ATOM 6 OG1 THR A 19 8.859 -11.933 -13.714 1.00 0.00 O ATOM 7 CG2 THR A 19 10.065 -13.613 -12.456 1.00 0.00 C ATOM 0 HA THR A 19 10.966 -10.348 -13.168 1.00 0.00 H new ATOM 0 HB THR A 19 10.785 -12.548 -14.160 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.356 -11.588 -12.947 1.00 0.00 H new ATOM 0 HG21 THR A 19 9.569 -14.388 -13.041 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.064 -13.950 -12.179 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.487 -13.413 -11.554 1.00 0.00 H new ATOM 15 N ILE A 20 10.625 -9.940 -10.437 1.00 0.00 N ATOM 16 CA ILE A 20 9.958 -9.478 -9.232 1.00 0.00 C ATOM 17 C ILE A 20 9.971 -7.948 -9.197 1.00 0.00 C ATOM 18 O ILE A 20 10.806 -7.312 -9.846 1.00 0.00 O ATOM 19 CB ILE A 20 10.638 -10.088 -7.969 1.00 0.00 C ATOM 20 CG1 ILE A 20 9.704 -10.055 -6.742 1.00 0.00 C ATOM 21 CG2 ILE A 20 11.956 -9.385 -7.666 1.00 0.00 C ATOM 22 CD1 ILE A 20 9.772 -8.786 -5.913 1.00 0.00 C ATOM 0 H ILE A 20 11.569 -9.575 -10.562 1.00 0.00 H new ATOM 0 HA ILE A 20 8.920 -9.811 -9.236 1.00 0.00 H new ATOM 0 HB ILE A 20 10.850 -11.134 -8.189 1.00 0.00 H new ATOM 0 HG12 ILE A 20 8.678 -10.193 -7.083 1.00 0.00 H new ATOM 0 HG13 ILE A 20 9.944 -10.903 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 20 12.410 -9.829 -6.780 1.00 0.00 H new ATOM 0 HG22 ILE A 20 12.631 -9.496 -8.515 1.00 0.00 H new ATOM 0 HG23 ILE A 20 11.771 -8.326 -7.486 1.00 0.00 H new ATOM 0 HD11 ILE A 20 9.079 -8.861 -5.075 1.00 0.00 H new ATOM 0 HD12 ILE A 20 10.786 -8.652 -5.535 1.00 0.00 H new ATOM 0 HD13 ILE A 20 9.500 -7.932 -6.533 1.00 0.00 H new ATOM 34 N ASP A 21 9.019 -7.366 -8.478 1.00 0.00 N ATOM 35 CA ASP A 21 8.915 -5.917 -8.348 1.00 0.00 C ATOM 36 C ASP A 21 10.170 -5.305 -7.741 1.00 0.00 C ATOM 37 O ASP A 21 10.947 -5.976 -7.063 1.00 0.00 O ATOM 38 CB ASP A 21 7.703 -5.538 -7.493 1.00 0.00 C ATOM 39 CG ASP A 21 6.407 -5.603 -8.267 1.00 0.00 C ATOM 40 OD1 ASP A 21 6.044 -4.599 -8.913 1.00 0.00 O ATOM 41 OD2 ASP A 21 5.738 -6.658 -8.221 1.00 0.00 O ATOM 0 H ASP A 21 8.300 -7.882 -7.971 1.00 0.00 H new ATOM 0 HA ASP A 21 8.794 -5.518 -9.355 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.644 -6.207 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.839 -4.530 -7.102 1.00 0.00 H new ATOM 46 N VAL A 22 10.335 -4.008 -7.976 1.00 0.00 N ATOM 47 CA VAL A 22 11.496 -3.260 -7.498 1.00 0.00 C ATOM 48 C VAL A 22 11.381 -2.990 -5.991 1.00 0.00 C ATOM 49 O VAL A 22 12.184 -2.263 -5.398 1.00 0.00 O ATOM 50 CB VAL A 22 11.630 -1.922 -8.273 1.00 0.00 C ATOM 51 CG1 VAL A 22 10.517 -0.954 -7.889 1.00 0.00 C ATOM 52 CG2 VAL A 22 12.999 -1.292 -8.056 1.00 0.00 C ATOM 0 H VAL A 22 9.669 -3.444 -8.503 1.00 0.00 H new ATOM 0 HA VAL A 22 12.389 -3.860 -7.675 1.00 0.00 H new ATOM 0 HB VAL A 22 11.532 -2.144 -9.336 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.635 -0.025 -8.446 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.550 -1.399 -8.125 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.569 -0.745 -6.820 1.00 0.00 H new ATOM 0 HG21 VAL A 22 13.061 -0.356 -8.612 1.00 0.00 H new ATOM 0 HG22 VAL A 22 13.144 -1.093 -6.994 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.773 -1.974 -8.406 1.00 0.00 H new ATOM 62 N LEU A 23 10.378 -3.595 -5.375 1.00 0.00 N ATOM 63 CA LEU A 23 10.112 -3.394 -3.962 1.00 0.00 C ATOM 64 C LEU A 23 10.992 -4.323 -3.137 1.00 0.00 C ATOM 65 O LEU A 23 10.548 -5.379 -2.684 1.00 0.00 O ATOM 66 CB LEU A 23 8.632 -3.653 -3.651 1.00 0.00 C ATOM 67 CG LEU A 23 7.634 -3.178 -4.718 1.00 0.00 C ATOM 68 CD1 LEU A 23 6.206 -3.304 -4.210 1.00 0.00 C ATOM 69 CD2 LEU A 23 7.925 -1.750 -5.158 1.00 0.00 C ATOM 0 H LEU A 23 9.731 -4.234 -5.837 1.00 0.00 H new ATOM 0 HA LEU A 23 10.341 -2.360 -3.704 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.493 -4.724 -3.501 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.387 -3.165 -2.708 1.00 0.00 H new ATOM 0 HG LEU A 23 7.750 -3.822 -5.590 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.514 -2.963 -4.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.996 -4.346 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.083 -2.694 -3.315 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.200 -1.447 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.854 -1.083 -4.299 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.930 -1.696 -5.578 1.00 0.00 H new ATOM 81 N GLN A 24 12.244 -3.931 -2.965 1.00 0.00 N ATOM 82 CA GLN A 24 13.210 -4.755 -2.260 1.00 0.00 C ATOM 83 C GLN A 24 13.196 -4.460 -0.764 1.00 0.00 C ATOM 84 O GLN A 24 13.389 -3.321 -0.339 1.00 0.00 O ATOM 85 CB GLN A 24 14.611 -4.535 -2.828 1.00 0.00 C ATOM 86 CG GLN A 24 14.744 -4.893 -4.303 1.00 0.00 C ATOM 87 CD GLN A 24 14.641 -6.387 -4.572 1.00 0.00 C ATOM 88 OE1 GLN A 24 13.966 -7.129 -3.854 1.00 0.00 O ATOM 89 NE2 GLN A 24 15.317 -6.843 -5.615 1.00 0.00 N ATOM 0 H GLN A 24 12.615 -3.044 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 24 12.930 -5.799 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 24 14.887 -3.489 -2.692 1.00 0.00 H new ATOM 0 HB3 GLN A 24 15.322 -5.130 -2.255 1.00 0.00 H new ATOM 0 HG2 GLN A 24 13.968 -4.375 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 24 15.703 -4.530 -4.673 1.00 0.00 H new ATOM 0 HE21 GLN A 24 15.865 -6.201 -6.188 1.00 0.00 H new ATOM 0 HE22 GLN A 24 15.290 -7.836 -5.846 1.00 0.00 H new ATOM 98 N PHE A 25 12.955 -5.495 0.022 1.00 0.00 N ATOM 99 CA PHE A 25 12.957 -5.392 1.475 1.00 0.00 C ATOM 100 C PHE A 25 14.218 -6.027 2.028 1.00 0.00 C ATOM 101 O PHE A 25 14.638 -7.098 1.590 1.00 0.00 O ATOM 102 CB PHE A 25 11.715 -6.084 2.051 1.00 0.00 C ATOM 103 CG PHE A 25 10.440 -5.646 1.393 1.00 0.00 C ATOM 104 CD1 PHE A 25 9.956 -4.361 1.584 1.00 0.00 C ATOM 105 CD2 PHE A 25 9.720 -6.518 0.594 1.00 0.00 C ATOM 106 CE1 PHE A 25 8.777 -3.955 0.990 1.00 0.00 C ATOM 107 CE2 PHE A 25 8.541 -6.117 -0.004 1.00 0.00 C ATOM 108 CZ PHE A 25 8.090 -4.833 0.156 1.00 0.00 C ATOM 0 H PHE A 25 12.752 -6.432 -0.327 1.00 0.00 H new ATOM 0 HA PHE A 25 12.934 -4.341 1.763 1.00 0.00 H new ATOM 0 HB2 PHE A 25 11.823 -7.163 1.939 1.00 0.00 H new ATOM 0 HB3 PHE A 25 11.655 -5.879 3.120 1.00 0.00 H new ATOM 0 HD1 PHE A 25 10.507 -3.670 2.204 1.00 0.00 H new ATOM 0 HD2 PHE A 25 10.084 -7.523 0.437 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.391 -2.963 1.171 1.00 0.00 H new ATOM 0 HE2 PHE A 25 7.973 -6.817 -0.599 1.00 0.00 H new ATOM 0 HZ PHE A 25 7.203 -4.503 -0.364 1.00 0.00 H new ATOM 118 N LYS A 26 14.834 -5.321 2.966 1.00 0.00 N ATOM 119 CA LYS A 26 16.031 -5.785 3.641 1.00 0.00 C ATOM 120 C LYS A 26 15.773 -7.107 4.347 1.00 0.00 C ATOM 121 O LYS A 26 16.631 -7.990 4.380 1.00 0.00 O ATOM 122 CB LYS A 26 16.485 -4.710 4.631 1.00 0.00 C ATOM 123 CG LYS A 26 17.122 -5.238 5.905 1.00 0.00 C ATOM 124 CD LYS A 26 16.136 -5.199 7.061 1.00 0.00 C ATOM 125 CE LYS A 26 16.830 -4.951 8.392 1.00 0.00 C ATOM 126 NZ LYS A 26 17.849 -5.986 8.710 1.00 0.00 N ATOM 0 H LYS A 26 14.513 -4.405 3.280 1.00 0.00 H new ATOM 0 HA LYS A 26 16.821 -5.958 2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.198 -4.055 4.131 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.624 -4.098 4.900 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.464 -6.261 5.748 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.001 -4.642 6.151 1.00 0.00 H new ATOM 0 HD2 LYS A 26 15.400 -4.415 6.884 1.00 0.00 H new ATOM 0 HD3 LYS A 26 15.592 -6.142 7.106 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.308 -3.971 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.084 -4.925 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.218 -5.827 9.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.414 -6.929 8.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.629 -5.927 8.025 1.00 0.00 H new ATOM 140 N ASP A 27 14.584 -7.225 4.904 1.00 0.00 N ATOM 141 CA ASP A 27 14.154 -8.435 5.573 1.00 0.00 C ATOM 142 C ASP A 27 12.637 -8.386 5.664 1.00 0.00 C ATOM 143 O ASP A 27 12.033 -7.450 5.130 1.00 0.00 O ATOM 144 CB ASP A 27 14.776 -8.539 6.970 1.00 0.00 C ATOM 145 CG ASP A 27 14.842 -9.966 7.485 1.00 0.00 C ATOM 146 OD1 ASP A 27 14.094 -10.825 6.986 1.00 0.00 O ATOM 147 OD2 ASP A 27 15.652 -10.232 8.398 1.00 0.00 O ATOM 0 H ASP A 27 13.887 -6.481 4.905 1.00 0.00 H new ATOM 0 HA ASP A 27 14.478 -9.313 5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 27 15.782 -8.120 6.946 1.00 0.00 H new ATOM 0 HB3 ASP A 27 14.195 -7.934 7.666 1.00 0.00 H new ATOM 152 N GLU A 28 12.010 -9.335 6.343 1.00 0.00 N ATOM 153 CA GLU A 28 10.565 -9.286 6.491 1.00 0.00 C ATOM 154 C GLU A 28 10.185 -8.054 7.309 1.00 0.00 C ATOM 155 O GLU A 28 9.095 -7.518 7.160 1.00 0.00 O ATOM 156 CB GLU A 28 9.996 -10.568 7.124 1.00 0.00 C ATOM 157 CG GLU A 28 10.030 -10.609 8.646 1.00 0.00 C ATOM 158 CD GLU A 28 11.402 -10.891 9.214 1.00 0.00 C ATOM 159 OE1 GLU A 28 11.763 -12.079 9.343 1.00 0.00 O ATOM 160 OE2 GLU A 28 12.107 -9.929 9.570 1.00 0.00 O ATOM 0 H GLU A 28 12.466 -10.130 6.790 1.00 0.00 H new ATOM 0 HA GLU A 28 10.123 -9.216 5.497 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.964 -10.689 6.796 1.00 0.00 H new ATOM 0 HB3 GLU A 28 10.554 -11.422 6.741 1.00 0.00 H new ATOM 0 HG2 GLU A 28 9.674 -9.655 9.035 1.00 0.00 H new ATOM 0 HG3 GLU A 28 9.337 -11.374 8.996 1.00 0.00 H new ATOM 167 N ALA A 29 11.120 -7.601 8.147 1.00 0.00 N ATOM 168 CA ALA A 29 10.938 -6.395 8.949 1.00 0.00 C ATOM 169 C ALA A 29 10.693 -5.174 8.074 1.00 0.00 C ATOM 170 O ALA A 29 9.843 -4.341 8.386 1.00 0.00 O ATOM 171 CB ALA A 29 12.149 -6.157 9.837 1.00 0.00 C ATOM 0 H ALA A 29 12.020 -8.060 8.287 1.00 0.00 H new ATOM 0 HA ALA A 29 10.058 -6.548 9.574 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.995 -5.254 10.427 1.00 0.00 H new ATOM 0 HB2 ALA A 29 12.284 -7.008 10.504 1.00 0.00 H new ATOM 0 HB3 ALA A 29 13.037 -6.038 9.217 1.00 0.00 H new ATOM 177 N GLN A 30 11.431 -5.069 6.974 1.00 0.00 N ATOM 178 CA GLN A 30 11.253 -3.945 6.063 1.00 0.00 C ATOM 179 C GLN A 30 9.907 -4.077 5.371 1.00 0.00 C ATOM 180 O GLN A 30 9.245 -3.092 5.050 1.00 0.00 O ATOM 181 CB GLN A 30 12.370 -3.885 5.016 1.00 0.00 C ATOM 182 CG GLN A 30 12.568 -2.490 4.459 1.00 0.00 C ATOM 183 CD GLN A 30 13.940 -2.285 3.854 1.00 0.00 C ATOM 184 OE1 GLN A 30 14.153 -2.529 2.669 1.00 0.00 O ATOM 185 NE2 GLN A 30 14.884 -1.852 4.671 1.00 0.00 N ATOM 0 H GLN A 30 12.148 -5.738 6.694 1.00 0.00 H new ATOM 0 HA GLN A 30 11.292 -3.022 6.642 1.00 0.00 H new ATOM 0 HB2 GLN A 30 13.302 -4.230 5.464 1.00 0.00 H new ATOM 0 HB3 GLN A 30 12.136 -4.569 4.200 1.00 0.00 H new ATOM 0 HG2 GLN A 30 11.810 -2.296 3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 30 12.415 -1.762 5.255 1.00 0.00 H new ATOM 0 HE21 GLN A 30 14.664 -1.661 5.649 1.00 0.00 H new ATOM 0 HE22 GLN A 30 15.832 -1.708 4.324 1.00 0.00 H new ATOM 194 N GLU A 31 9.506 -5.321 5.178 1.00 0.00 N ATOM 195 CA GLU A 31 8.241 -5.635 4.545 1.00 0.00 C ATOM 196 C GLU A 31 7.083 -5.468 5.537 1.00 0.00 C ATOM 197 O GLU A 31 5.924 -5.409 5.143 1.00 0.00 O ATOM 198 CB GLU A 31 8.293 -7.065 4.000 1.00 0.00 C ATOM 199 CG GLU A 31 7.020 -7.515 3.310 1.00 0.00 C ATOM 200 CD GLU A 31 6.954 -9.013 3.135 1.00 0.00 C ATOM 201 OE1 GLU A 31 7.476 -9.528 2.123 1.00 0.00 O ATOM 202 OE2 GLU A 31 6.367 -9.681 4.013 1.00 0.00 O ATOM 0 H GLU A 31 10.048 -6.139 5.456 1.00 0.00 H new ATOM 0 HA GLU A 31 8.068 -4.945 3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.121 -7.143 3.296 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.508 -7.747 4.822 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.159 -7.182 3.890 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.951 -7.035 2.334 1.00 0.00 H new ATOM 209 N GLN A 32 7.398 -5.381 6.827 1.00 0.00 N ATOM 210 CA GLN A 32 6.373 -5.200 7.852 1.00 0.00 C ATOM 211 C GLN A 32 5.721 -3.829 7.726 1.00 0.00 C ATOM 212 O GLN A 32 4.508 -3.699 7.871 1.00 0.00 O ATOM 213 CB GLN A 32 6.965 -5.381 9.246 1.00 0.00 C ATOM 214 CG GLN A 32 7.385 -6.812 9.527 1.00 0.00 C ATOM 215 CD GLN A 32 7.955 -7.011 10.911 1.00 0.00 C ATOM 216 OE1 GLN A 32 8.553 -6.106 11.491 1.00 0.00 O ATOM 217 NE2 GLN A 32 7.781 -8.206 11.447 1.00 0.00 N ATOM 0 H GLN A 32 8.351 -5.433 7.187 1.00 0.00 H new ATOM 0 HA GLN A 32 5.607 -5.961 7.702 1.00 0.00 H new ATOM 0 HB2 GLN A 32 7.829 -4.726 9.356 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.232 -5.070 9.990 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.523 -7.467 9.400 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.128 -7.116 8.789 1.00 0.00 H new ATOM 0 HE21 GLN A 32 7.279 -8.928 10.931 1.00 0.00 H new ATOM 0 HE22 GLN A 32 8.149 -8.406 12.377 1.00 0.00 H new ATOM 226 N GLN A 33 6.524 -2.805 7.459 1.00 0.00 N ATOM 227 CA GLN A 33 5.979 -1.485 7.162 1.00 0.00 C ATOM 228 C GLN A 33 5.085 -1.576 5.937 1.00 0.00 C ATOM 229 O GLN A 33 3.982 -1.034 5.907 1.00 0.00 O ATOM 230 CB GLN A 33 7.087 -0.459 6.913 1.00 0.00 C ATOM 231 CG GLN A 33 6.555 0.931 6.602 1.00 0.00 C ATOM 232 CD GLN A 33 7.658 1.959 6.419 1.00 0.00 C ATOM 233 OE1 GLN A 33 7.468 3.142 6.703 1.00 0.00 O ATOM 234 NE2 GLN A 33 8.810 1.523 5.939 1.00 0.00 N ATOM 0 H GLN A 33 7.542 -2.861 7.442 1.00 0.00 H new ATOM 0 HA GLN A 33 5.404 -1.152 8.026 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.730 -0.407 7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.708 -0.798 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.951 0.889 5.696 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.897 1.252 7.409 1.00 0.00 H new ATOM 0 HE21 GLN A 33 8.928 0.535 5.716 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.581 2.175 5.792 1.00 0.00 H new ATOM 243 N PHE A 34 5.579 -2.297 4.941 1.00 0.00 N ATOM 244 CA PHE A 34 4.841 -2.551 3.716 1.00 0.00 C ATOM 245 C PHE A 34 3.521 -3.250 4.028 1.00 0.00 C ATOM 246 O PHE A 34 2.487 -2.922 3.452 1.00 0.00 O ATOM 247 CB PHE A 34 5.703 -3.406 2.781 1.00 0.00 C ATOM 248 CG PHE A 34 4.986 -3.947 1.578 1.00 0.00 C ATOM 249 CD1 PHE A 34 4.784 -3.148 0.464 1.00 0.00 C ATOM 250 CD2 PHE A 34 4.502 -5.245 1.566 1.00 0.00 C ATOM 251 CE1 PHE A 34 4.112 -3.631 -0.639 1.00 0.00 C ATOM 252 CE2 PHE A 34 3.831 -5.734 0.464 1.00 0.00 C ATOM 253 CZ PHE A 34 3.687 -4.968 -0.651 1.00 0.00 C ATOM 0 H PHE A 34 6.506 -2.723 4.961 1.00 0.00 H new ATOM 0 HA PHE A 34 4.610 -1.606 3.224 1.00 0.00 H new ATOM 0 HB2 PHE A 34 6.549 -2.808 2.443 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.110 -4.242 3.349 1.00 0.00 H new ATOM 0 HD1 PHE A 34 5.157 -2.135 0.460 1.00 0.00 H new ATOM 0 HD2 PHE A 34 4.651 -5.880 2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 34 3.915 -2.988 -1.484 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.417 -6.731 0.487 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.247 -5.388 -1.543 1.00 0.00 H new ATOM 263 N ARG A 35 3.573 -4.206 4.952 1.00 0.00 N ATOM 264 CA ARG A 35 2.391 -4.938 5.396 1.00 0.00 C ATOM 265 C ARG A 35 1.318 -3.984 5.907 1.00 0.00 C ATOM 266 O ARG A 35 0.179 -4.025 5.458 1.00 0.00 O ATOM 267 CB ARG A 35 2.779 -5.912 6.515 1.00 0.00 C ATOM 268 CG ARG A 35 2.833 -7.380 6.115 1.00 0.00 C ATOM 269 CD ARG A 35 3.597 -7.599 4.824 1.00 0.00 C ATOM 270 NE ARG A 35 2.702 -7.721 3.669 1.00 0.00 N ATOM 271 CZ ARG A 35 2.863 -8.620 2.695 1.00 0.00 C ATOM 272 NH1 ARG A 35 3.891 -9.459 2.719 1.00 0.00 N ATOM 273 NH2 ARG A 35 1.989 -8.687 1.699 1.00 0.00 N ATOM 0 H ARG A 35 4.436 -4.495 5.414 1.00 0.00 H new ATOM 0 HA ARG A 35 1.990 -5.489 4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.756 -5.623 6.903 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.066 -5.802 7.332 1.00 0.00 H new ATOM 0 HG2 ARG A 35 3.302 -7.954 6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.818 -7.761 6.002 1.00 0.00 H new ATOM 0 HD2 ARG A 35 4.284 -6.768 4.664 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.203 -8.501 4.910 1.00 0.00 H new ATOM 0 HE ARG A 35 1.910 -7.082 3.606 1.00 0.00 H new ATOM 0 HH11 ARG A 35 4.564 -9.419 3.485 1.00 0.00 H new ATOM 0 HH12 ARG A 35 4.008 -10.143 1.972 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.192 -8.051 1.676 1.00 0.00 H new ATOM 0 HH22 ARG A 35 2.114 -9.375 0.956 1.00 0.00 H new ATOM 287 N GLN A 36 1.699 -3.092 6.810 1.00 0.00 N ATOM 288 CA GLN A 36 0.746 -2.164 7.412 1.00 0.00 C ATOM 289 C GLN A 36 0.263 -1.145 6.399 1.00 0.00 C ATOM 290 O GLN A 36 -0.927 -0.850 6.316 1.00 0.00 O ATOM 291 CB GLN A 36 1.376 -1.437 8.600 1.00 0.00 C ATOM 292 CG GLN A 36 1.912 -2.367 9.674 1.00 0.00 C ATOM 293 CD GLN A 36 2.614 -1.627 10.794 1.00 0.00 C ATOM 294 OE1 GLN A 36 2.282 -0.482 11.110 1.00 0.00 O ATOM 295 NE2 GLN A 36 3.593 -2.275 11.405 1.00 0.00 N ATOM 0 H GLN A 36 2.658 -2.989 7.143 1.00 0.00 H new ATOM 0 HA GLN A 36 -0.106 -2.749 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 36 2.189 -0.807 8.239 1.00 0.00 H new ATOM 0 HB3 GLN A 36 0.633 -0.774 9.044 1.00 0.00 H new ATOM 0 HG2 GLN A 36 1.089 -2.948 10.089 1.00 0.00 H new ATOM 0 HG3 GLN A 36 2.606 -3.075 9.222 1.00 0.00 H new ATOM 0 HE21 GLN A 36 3.838 -3.222 11.114 1.00 0.00 H new ATOM 0 HE22 GLN A 36 4.103 -1.828 12.167 1.00 0.00 H new ATOM 304 N LEU A 37 1.193 -0.628 5.618 1.00 0.00 N ATOM 305 CA LEU A 37 0.889 0.419 4.665 1.00 0.00 C ATOM 306 C LEU A 37 -0.043 -0.084 3.562 1.00 0.00 C ATOM 307 O LEU A 37 -0.749 0.701 2.934 1.00 0.00 O ATOM 308 CB LEU A 37 2.183 0.990 4.080 1.00 0.00 C ATOM 309 CG LEU A 37 3.103 1.681 5.090 1.00 0.00 C ATOM 310 CD1 LEU A 37 4.295 2.309 4.387 1.00 0.00 C ATOM 311 CD2 LEU A 37 2.337 2.721 5.894 1.00 0.00 C ATOM 0 H LEU A 37 2.170 -0.919 5.627 1.00 0.00 H new ATOM 0 HA LEU A 37 0.364 1.218 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.736 0.181 3.603 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.926 1.705 3.298 1.00 0.00 H new ATOM 0 HG LEU A 37 3.477 0.927 5.783 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.936 2.795 5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.860 1.535 3.867 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.945 3.048 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.010 3.199 6.605 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.928 3.473 5.220 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.523 2.237 6.434 1.00 0.00 H new ATOM 323 N THR A 38 -0.049 -1.395 3.327 1.00 0.00 N ATOM 324 CA THR A 38 -0.948 -1.971 2.340 1.00 0.00 C ATOM 325 C THR A 38 -2.252 -2.453 2.976 1.00 0.00 C ATOM 326 O THR A 38 -3.295 -2.466 2.320 1.00 0.00 O ATOM 327 CB THR A 38 -0.301 -3.138 1.567 1.00 0.00 C ATOM 328 OG1 THR A 38 0.371 -4.031 2.462 1.00 0.00 O ATOM 329 CG2 THR A 38 0.667 -2.624 0.513 1.00 0.00 C ATOM 0 H THR A 38 0.552 -2.068 3.802 1.00 0.00 H new ATOM 0 HA THR A 38 -1.167 -1.169 1.635 1.00 0.00 H new ATOM 0 HB THR A 38 -1.098 -3.685 1.064 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.151 -3.581 2.849 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.109 -3.468 -0.017 1.00 0.00 H new ATOM 0 HG22 THR A 38 0.132 -1.991 -0.195 1.00 0.00 H new ATOM 0 HG23 THR A 38 1.455 -2.045 0.994 1.00 0.00 H new ATOM 337 N GLU A 39 -2.206 -2.837 4.255 1.00 0.00 N ATOM 338 CA GLU A 39 -3.379 -3.413 4.903 1.00 0.00 C ATOM 339 C GLU A 39 -4.274 -2.351 5.534 1.00 0.00 C ATOM 340 O GLU A 39 -5.475 -2.570 5.695 1.00 0.00 O ATOM 341 CB GLU A 39 -2.984 -4.457 5.946 1.00 0.00 C ATOM 342 CG GLU A 39 -2.316 -5.683 5.342 1.00 0.00 C ATOM 343 CD GLU A 39 -2.158 -6.814 6.332 1.00 0.00 C ATOM 344 OE1 GLU A 39 -1.390 -6.666 7.308 1.00 0.00 O ATOM 345 OE2 GLU A 39 -2.807 -7.866 6.141 1.00 0.00 O ATOM 0 H GLU A 39 -1.382 -2.760 4.851 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.953 -3.904 4.117 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.307 -4.001 6.669 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.873 -4.768 6.494 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.905 -6.030 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.335 -5.404 4.957 1.00 0.00 H new ATOM 352 N GLU A 40 -3.707 -1.203 5.880 1.00 0.00 N ATOM 353 CA GLU A 40 -4.501 -0.125 6.458 1.00 0.00 C ATOM 354 C GLU A 40 -5.103 0.754 5.365 1.00 0.00 C ATOM 355 O GLU A 40 -5.746 1.765 5.651 1.00 0.00 O ATOM 356 CB GLU A 40 -3.667 0.722 7.423 1.00 0.00 C ATOM 357 CG GLU A 40 -3.234 -0.032 8.669 1.00 0.00 C ATOM 358 CD GLU A 40 -2.547 0.859 9.684 1.00 0.00 C ATOM 359 OE1 GLU A 40 -1.320 1.051 9.580 1.00 0.00 O ATOM 360 OE2 GLU A 40 -3.229 1.365 10.600 1.00 0.00 O ATOM 0 H GLU A 40 -2.714 -0.995 5.773 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.314 -0.581 7.022 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -2.782 1.087 6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.245 1.597 7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.107 -0.495 9.130 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -2.559 -0.839 8.384 1.00 0.00 H new ATOM 367 N LEU A 41 -4.900 0.359 4.115 1.00 0.00 N ATOM 368 CA LEU A 41 -5.471 1.077 2.985 1.00 0.00 C ATOM 369 C LEU A 41 -6.829 0.491 2.615 1.00 0.00 C ATOM 370 O LEU A 41 -6.989 -0.727 2.508 1.00 0.00 O ATOM 371 CB LEU A 41 -4.512 1.041 1.785 1.00 0.00 C ATOM 372 CG LEU A 41 -5.070 1.600 0.474 1.00 0.00 C ATOM 373 CD1 LEU A 41 -5.690 2.970 0.687 1.00 0.00 C ATOM 374 CD2 LEU A 41 -3.970 1.670 -0.569 1.00 0.00 C ATOM 0 H LEU A 41 -4.343 -0.456 3.859 1.00 0.00 H new ATOM 0 HA LEU A 41 -5.616 2.119 3.271 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.613 1.601 2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.207 0.008 1.618 1.00 0.00 H new ATOM 0 HG LEU A 41 -5.853 0.930 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -6.079 3.345 -0.260 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.504 2.893 1.408 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -4.933 3.657 1.066 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.375 2.069 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.172 2.321 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.572 0.671 -0.746 1.00 0.00 H new ATOM 386 N ARG A 42 -7.807 1.366 2.420 1.00 0.00 N ATOM 387 CA ARG A 42 -9.164 0.931 2.145 1.00 0.00 C ATOM 388 C ARG A 42 -9.370 0.732 0.649 1.00 0.00 C ATOM 389 O ARG A 42 -9.329 1.686 -0.129 1.00 0.00 O ATOM 390 CB ARG A 42 -10.171 1.948 2.691 1.00 0.00 C ATOM 391 CG ARG A 42 -11.428 1.323 3.272 1.00 0.00 C ATOM 392 CD ARG A 42 -12.446 0.980 2.200 1.00 0.00 C ATOM 393 NE ARG A 42 -13.693 0.492 2.781 1.00 0.00 N ATOM 394 CZ ARG A 42 -14.826 1.189 2.799 1.00 0.00 C ATOM 395 NH1 ARG A 42 -14.876 2.400 2.257 1.00 0.00 N ATOM 396 NH2 ARG A 42 -15.909 0.674 3.359 1.00 0.00 N ATOM 0 H ARG A 42 -7.683 2.378 2.448 1.00 0.00 H new ATOM 0 HA ARG A 42 -9.327 -0.024 2.645 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -9.686 2.546 3.462 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.454 2.630 1.889 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -11.162 0.419 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -11.876 2.011 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -12.647 1.863 1.593 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.033 0.222 1.534 1.00 0.00 H new ATOM 0 HE ARG A 42 -13.696 -0.439 3.198 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -14.043 2.800 1.824 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -15.747 2.930 2.273 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -15.874 -0.256 3.776 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -16.778 1.207 3.374 1.00 0.00 H new ATOM 410 N CYS A 43 -9.580 -0.513 0.256 1.00 0.00 N ATOM 411 CA CYS A 43 -9.828 -0.849 -1.135 1.00 0.00 C ATOM 412 C CYS A 43 -11.330 -0.865 -1.418 1.00 0.00 C ATOM 413 O CYS A 43 -12.116 -1.368 -0.614 1.00 0.00 O ATOM 414 CB CYS A 43 -9.210 -2.213 -1.457 1.00 0.00 C ATOM 415 SG CYS A 43 -9.729 -3.536 -0.336 1.00 0.00 S ATOM 0 H CYS A 43 -9.583 -1.314 0.887 1.00 0.00 H new ATOM 0 HA CYS A 43 -9.367 -0.093 -1.770 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -9.476 -2.490 -2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -8.124 -2.126 -1.423 1.00 0.00 H new ATOM 0 HG CYS A 43 -8.919 -4.546 -0.452 1.00 0.00 H new ATOM 421 N PRO A 44 -11.749 -0.294 -2.562 1.00 0.00 N ATOM 422 CA PRO A 44 -13.158 -0.273 -2.983 1.00 0.00 C ATOM 423 C PRO A 44 -13.656 -1.651 -3.426 1.00 0.00 C ATOM 424 O PRO A 44 -14.804 -1.807 -3.842 1.00 0.00 O ATOM 425 CB PRO A 44 -13.174 0.703 -4.171 1.00 0.00 C ATOM 426 CG PRO A 44 -11.842 1.381 -4.157 1.00 0.00 C ATOM 427 CD PRO A 44 -10.892 0.406 -3.528 1.00 0.00 C ATOM 0 HA PRO A 44 -13.815 0.022 -2.165 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.334 0.174 -5.110 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -13.983 1.427 -4.072 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.525 1.640 -5.167 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.882 2.310 -3.588 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -10.466 -0.277 -4.263 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -10.058 0.910 -3.040 1.00 0.00 H new ATOM 435 N LYS A 45 -12.776 -2.642 -3.348 1.00 0.00 N ATOM 436 CA LYS A 45 -13.130 -4.013 -3.690 1.00 0.00 C ATOM 437 C LYS A 45 -13.690 -4.744 -2.473 1.00 0.00 C ATOM 438 O LYS A 45 -14.605 -5.562 -2.601 1.00 0.00 O ATOM 439 CB LYS A 45 -11.908 -4.760 -4.224 1.00 0.00 C ATOM 440 CG LYS A 45 -12.190 -6.209 -4.587 1.00 0.00 C ATOM 441 CD LYS A 45 -13.096 -6.330 -5.801 1.00 0.00 C ATOM 442 CE LYS A 45 -13.377 -7.787 -6.143 1.00 0.00 C ATOM 443 NZ LYS A 45 -12.132 -8.543 -6.451 1.00 0.00 N ATOM 0 H LYS A 45 -11.808 -2.520 -3.050 1.00 0.00 H new ATOM 0 HA LYS A 45 -13.896 -3.983 -4.465 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -11.532 -4.240 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -11.118 -4.729 -3.474 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.249 -6.722 -4.785 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -12.654 -6.711 -3.738 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.036 -5.812 -5.608 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.630 -5.838 -6.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.891 -8.262 -5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.050 -7.834 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -12.345 -9.301 -7.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -11.427 -7.898 -6.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.753 -8.959 -5.576 1.00 0.00 H new ATOM 457 N CYS A 46 -13.124 -4.434 -1.299 1.00 0.00 N ATOM 458 CA CYS A 46 -13.466 -5.093 -0.031 1.00 0.00 C ATOM 459 C CYS A 46 -12.976 -6.536 -0.005 1.00 0.00 C ATOM 460 O CYS A 46 -12.327 -6.972 0.947 1.00 0.00 O ATOM 461 CB CYS A 46 -14.969 -5.026 0.242 1.00 0.00 C ATOM 462 SG CYS A 46 -15.615 -3.341 0.374 1.00 0.00 S ATOM 0 H CYS A 46 -12.410 -3.712 -1.202 1.00 0.00 H new ATOM 0 HA CYS A 46 -12.955 -4.551 0.765 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -15.497 -5.546 -0.557 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -15.185 -5.561 1.167 1.00 0.00 H new ATOM 0 HG CYS A 46 -16.894 -3.383 0.603 1.00 0.00 H new ATOM 468 N GLN A 47 -13.276 -7.263 -1.058 1.00 0.00 N ATOM 469 CA GLN A 47 -12.848 -8.635 -1.184 1.00 0.00 C ATOM 470 C GLN A 47 -11.396 -8.682 -1.622 1.00 0.00 C ATOM 471 O GLN A 47 -10.883 -7.706 -2.169 1.00 0.00 O ATOM 472 CB GLN A 47 -13.743 -9.353 -2.176 1.00 0.00 C ATOM 473 CG GLN A 47 -15.214 -9.197 -1.834 1.00 0.00 C ATOM 474 CD GLN A 47 -15.546 -9.693 -0.438 1.00 0.00 C ATOM 475 OE1 GLN A 47 -15.527 -8.931 0.526 1.00 0.00 O ATOM 476 NE2 GLN A 47 -15.841 -10.976 -0.317 1.00 0.00 N ATOM 0 H GLN A 47 -13.822 -6.920 -1.848 1.00 0.00 H new ATOM 0 HA GLN A 47 -12.927 -9.138 -0.220 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -13.561 -8.962 -3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -13.486 -10.412 -2.195 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -15.493 -8.147 -1.918 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -15.812 -9.745 -2.562 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -15.847 -11.578 -1.140 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -16.063 -11.364 0.600 1.00 0.00 H new ATOM 485 N ASN A 48 -10.747 -9.818 -1.369 1.00 0.00 N ATOM 486 CA ASN A 48 -9.302 -9.965 -1.569 1.00 0.00 C ATOM 487 C ASN A 48 -8.556 -9.141 -0.522 1.00 0.00 C ATOM 488 O ASN A 48 -7.332 -9.002 -0.574 1.00 0.00 O ATOM 489 CB ASN A 48 -8.866 -9.548 -2.984 1.00 0.00 C ATOM 490 CG ASN A 48 -9.571 -10.320 -4.085 1.00 0.00 C ATOM 491 OD1 ASN A 48 -10.634 -9.913 -4.562 1.00 0.00 O ATOM 492 ND2 ASN A 48 -8.986 -11.429 -4.507 1.00 0.00 N ATOM 0 H ASN A 48 -11.204 -10.661 -1.021 1.00 0.00 H new ATOM 0 HA ASN A 48 -9.055 -11.020 -1.456 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -9.059 -8.483 -3.116 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -7.790 -9.692 -3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.414 -11.980 -5.251 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -8.107 -11.733 -4.088 1.00 0.00 H new ATOM 499 N ASN A 49 -9.329 -8.598 0.429 1.00 0.00 N ATOM 500 CA ASN A 49 -8.803 -7.804 1.536 1.00 0.00 C ATOM 501 C ASN A 49 -8.036 -6.587 1.038 1.00 0.00 C ATOM 502 O ASN A 49 -8.187 -6.166 -0.112 1.00 0.00 O ATOM 503 CB ASN A 49 -7.918 -8.664 2.447 1.00 0.00 C ATOM 504 CG ASN A 49 -8.726 -9.650 3.270 1.00 0.00 C ATOM 505 OD1 ASN A 49 -9.029 -10.754 2.817 1.00 0.00 O ATOM 506 ND2 ASN A 49 -9.071 -9.264 4.490 1.00 0.00 N ATOM 0 H ASN A 49 -10.344 -8.701 0.447 1.00 0.00 H new ATOM 0 HA ASN A 49 -9.653 -7.444 2.116 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.195 -9.208 1.839 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -7.350 -8.016 3.115 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.607 -9.890 5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.800 -8.341 4.828 1.00 0.00 H new ATOM 513 N SER A 50 -7.232 -6.012 1.915 1.00 0.00 N ATOM 514 CA SER A 50 -6.406 -4.877 1.565 1.00 0.00 C ATOM 515 C SER A 50 -5.349 -5.303 0.547 1.00 0.00 C ATOM 516 O SER A 50 -5.134 -6.500 0.340 1.00 0.00 O ATOM 517 CB SER A 50 -5.765 -4.326 2.829 1.00 0.00 C ATOM 518 OG SER A 50 -6.746 -4.110 3.833 1.00 0.00 O ATOM 0 H SER A 50 -7.136 -6.319 2.883 1.00 0.00 H new ATOM 0 HA SER A 50 -7.012 -4.094 1.110 1.00 0.00 H new ATOM 0 HB2 SER A 50 -5.010 -5.023 3.194 1.00 0.00 H new ATOM 0 HB3 SER A 50 -5.253 -3.390 2.606 1.00 0.00 H new ATOM 0 HG SER A 50 -6.387 -3.507 4.517 1.00 0.00 H new ATOM 524 N ILE A 51 -4.676 -4.328 -0.059 1.00 0.00 N ATOM 525 CA ILE A 51 -3.836 -4.567 -1.240 1.00 0.00 C ATOM 526 C ILE A 51 -2.517 -5.279 -0.918 1.00 0.00 C ATOM 527 O ILE A 51 -1.515 -5.065 -1.598 1.00 0.00 O ATOM 528 CB ILE A 51 -3.506 -3.244 -1.967 1.00 0.00 C ATOM 529 CG1 ILE A 51 -2.706 -2.309 -1.052 1.00 0.00 C ATOM 530 CG2 ILE A 51 -4.786 -2.565 -2.440 1.00 0.00 C ATOM 531 CD1 ILE A 51 -2.084 -1.137 -1.776 1.00 0.00 C ATOM 0 H ILE A 51 -4.694 -3.356 0.248 1.00 0.00 H new ATOM 0 HA ILE A 51 -4.428 -5.221 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.893 -3.473 -2.839 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.363 -1.933 -0.268 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.919 -2.881 -0.561 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -4.537 -1.634 -2.950 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.316 -3.225 -3.127 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.422 -2.349 -1.582 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.534 -0.520 -1.065 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.401 -1.504 -2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.868 -0.541 -2.244 1.00 0.00 H new ATOM 543 N ALA A 52 -2.519 -6.138 0.086 1.00 0.00 N ATOM 544 CA ALA A 52 -1.308 -6.840 0.480 1.00 0.00 C ATOM 545 C ALA A 52 -1.101 -8.090 -0.368 1.00 0.00 C ATOM 546 O ALA A 52 -0.013 -8.314 -0.896 1.00 0.00 O ATOM 547 CB ALA A 52 -1.357 -7.193 1.956 1.00 0.00 C ATOM 0 H ALA A 52 -3.343 -6.367 0.643 1.00 0.00 H new ATOM 0 HA ALA A 52 -0.459 -6.177 0.311 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.443 -7.718 2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.446 -6.281 2.546 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.217 -7.834 2.148 1.00 0.00 H new ATOM 553 N ASP A 53 -2.147 -8.896 -0.496 1.00 0.00 N ATOM 554 CA ASP A 53 -2.086 -10.114 -1.304 1.00 0.00 C ATOM 555 C ASP A 53 -3.333 -10.246 -2.168 1.00 0.00 C ATOM 556 O ASP A 53 -3.866 -11.338 -2.349 1.00 0.00 O ATOM 557 CB ASP A 53 -1.939 -11.358 -0.418 1.00 0.00 C ATOM 558 CG ASP A 53 -0.561 -11.499 0.198 1.00 0.00 C ATOM 559 OD1 ASP A 53 0.354 -12.009 -0.485 1.00 0.00 O ATOM 560 OD2 ASP A 53 -0.378 -11.075 1.361 1.00 0.00 O ATOM 0 H ASP A 53 -3.050 -8.731 -0.051 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.210 -10.040 -1.948 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -2.682 -11.318 0.378 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -2.156 -12.246 -1.012 1.00 0.00 H new ATOM 565 N SER A 54 -3.793 -9.123 -2.704 1.00 0.00 N ATOM 566 CA SER A 54 -5.013 -9.099 -3.502 1.00 0.00 C ATOM 567 C SER A 54 -4.778 -9.643 -4.911 1.00 0.00 C ATOM 568 O SER A 54 -5.731 -9.939 -5.629 1.00 0.00 O ATOM 569 CB SER A 54 -5.543 -7.670 -3.589 1.00 0.00 C ATOM 570 OG SER A 54 -5.465 -7.030 -2.333 1.00 0.00 O ATOM 0 H SER A 54 -3.339 -8.215 -2.601 1.00 0.00 H new ATOM 0 HA SER A 54 -5.745 -9.740 -3.011 1.00 0.00 H new ATOM 0 HB2 SER A 54 -4.968 -7.108 -4.325 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.577 -7.681 -3.933 1.00 0.00 H new ATOM 0 HG SER A 54 -5.986 -7.536 -1.675 1.00 0.00 H new ATOM 576 N ASN A 55 -3.502 -9.739 -5.304 1.00 0.00 N ATOM 577 CA ASN A 55 -3.111 -10.221 -6.640 1.00 0.00 C ATOM 578 C ASN A 55 -3.538 -9.244 -7.730 1.00 0.00 C ATOM 579 O ASN A 55 -3.394 -9.521 -8.920 1.00 0.00 O ATOM 580 CB ASN A 55 -3.703 -11.604 -6.927 1.00 0.00 C ATOM 581 CG ASN A 55 -3.150 -12.675 -6.012 1.00 0.00 C ATOM 582 OD1 ASN A 55 -1.980 -12.637 -5.629 1.00 0.00 O ATOM 583 ND2 ASN A 55 -3.991 -13.630 -5.645 1.00 0.00 N ATOM 0 H ASN A 55 -2.712 -9.487 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 55 -2.024 -10.297 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.787 -11.561 -6.817 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.498 -11.875 -7.963 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -3.678 -14.373 -5.021 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -4.952 -13.622 -5.987 1.00 0.00 H new ATOM 590 N SER A 56 -4.064 -8.102 -7.315 1.00 0.00 N ATOM 591 CA SER A 56 -4.513 -7.083 -8.244 1.00 0.00 C ATOM 592 C SER A 56 -3.330 -6.351 -8.862 1.00 0.00 C ATOM 593 O SER A 56 -2.389 -5.958 -8.170 1.00 0.00 O ATOM 594 CB SER A 56 -5.428 -6.085 -7.534 1.00 0.00 C ATOM 595 OG SER A 56 -5.789 -5.021 -8.398 1.00 0.00 O ATOM 0 H SER A 56 -4.190 -7.859 -6.332 1.00 0.00 H new ATOM 0 HA SER A 56 -5.070 -7.575 -9.042 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.326 -6.595 -7.185 1.00 0.00 H new ATOM 0 HB3 SER A 56 -4.924 -5.687 -6.653 1.00 0.00 H new ATOM 0 HG SER A 56 -6.598 -4.584 -8.058 1.00 0.00 H new ATOM 601 N MET A 57 -3.403 -6.174 -10.176 1.00 0.00 N ATOM 602 CA MET A 57 -2.397 -5.434 -10.927 1.00 0.00 C ATOM 603 C MET A 57 -2.356 -3.994 -10.452 1.00 0.00 C ATOM 604 O MET A 57 -1.310 -3.346 -10.450 1.00 0.00 O ATOM 605 CB MET A 57 -2.728 -5.446 -12.421 1.00 0.00 C ATOM 606 CG MET A 57 -3.458 -6.690 -12.882 1.00 0.00 C ATOM 607 SD MET A 57 -5.102 -6.329 -13.527 1.00 0.00 S ATOM 608 CE MET A 57 -5.976 -5.847 -12.033 1.00 0.00 C ATOM 0 H MET A 57 -4.162 -6.540 -10.751 1.00 0.00 H new ATOM 0 HA MET A 57 -1.430 -5.911 -10.765 1.00 0.00 H new ATOM 0 HB2 MET A 57 -3.337 -4.573 -12.654 1.00 0.00 H new ATOM 0 HB3 MET A 57 -1.802 -5.350 -12.988 1.00 0.00 H new ATOM 0 HG2 MET A 57 -2.870 -7.187 -13.654 1.00 0.00 H new ATOM 0 HG3 MET A 57 -3.544 -7.387 -12.048 1.00 0.00 H new ATOM 0 HE1 MET A 57 -6.915 -5.364 -12.301 1.00 0.00 H new ATOM 0 HE2 MET A 57 -6.182 -6.732 -11.431 1.00 0.00 H new ATOM 0 HE3 MET A 57 -5.361 -5.153 -11.460 1.00 0.00 H new ATOM 618 N ILE A 58 -3.518 -3.504 -10.046 1.00 0.00 N ATOM 619 CA ILE A 58 -3.661 -2.128 -9.613 1.00 0.00 C ATOM 620 C ILE A 58 -3.165 -1.990 -8.175 1.00 0.00 C ATOM 621 O ILE A 58 -2.643 -0.948 -7.787 1.00 0.00 O ATOM 622 CB ILE A 58 -5.133 -1.645 -9.787 1.00 0.00 C ATOM 623 CG1 ILE A 58 -5.925 -1.672 -8.478 1.00 0.00 C ATOM 624 CG2 ILE A 58 -5.837 -2.499 -10.830 1.00 0.00 C ATOM 625 CD1 ILE A 58 -5.751 -0.420 -7.651 1.00 0.00 C ATOM 0 H ILE A 58 -4.381 -4.047 -10.009 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.047 -1.481 -10.239 1.00 0.00 H new ATOM 0 HB ILE A 58 -5.091 -0.607 -10.116 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -6.983 -1.806 -8.704 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.613 -2.535 -7.890 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -6.865 -2.157 -10.947 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -5.315 -2.413 -11.783 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.836 -3.541 -10.508 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.339 -0.503 -6.737 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.699 -0.296 -7.396 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.090 0.444 -8.223 1.00 0.00 H new ATOM 637 N ALA A 59 -3.303 -3.062 -7.397 1.00 0.00 N ATOM 638 CA ALA A 59 -2.779 -3.092 -6.036 1.00 0.00 C ATOM 639 C ALA A 59 -1.268 -2.919 -6.060 1.00 0.00 C ATOM 640 O ALA A 59 -0.692 -2.236 -5.218 1.00 0.00 O ATOM 641 CB ALA A 59 -3.150 -4.394 -5.342 1.00 0.00 C ATOM 0 H ALA A 59 -3.773 -3.920 -7.687 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.224 -2.270 -5.475 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.748 -4.393 -4.329 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.235 -4.489 -5.302 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.733 -5.234 -5.897 1.00 0.00 H new ATOM 647 N THR A 60 -0.634 -3.548 -7.043 1.00 0.00 N ATOM 648 CA THR A 60 0.799 -3.413 -7.256 1.00 0.00 C ATOM 649 C THR A 60 1.181 -1.958 -7.522 1.00 0.00 C ATOM 650 O THR A 60 2.175 -1.462 -6.990 1.00 0.00 O ATOM 651 CB THR A 60 1.245 -4.293 -8.434 1.00 0.00 C ATOM 652 OG1 THR A 60 0.917 -5.663 -8.161 1.00 0.00 O ATOM 653 CG2 THR A 60 2.736 -4.153 -8.683 1.00 0.00 C ATOM 0 H THR A 60 -1.098 -4.163 -7.711 1.00 0.00 H new ATOM 0 HA THR A 60 1.307 -3.741 -6.349 1.00 0.00 H new ATOM 0 HB THR A 60 0.721 -3.965 -9.331 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.052 -5.789 -8.236 1.00 0.00 H new ATOM 0 HG21 THR A 60 3.026 -4.786 -9.522 1.00 0.00 H new ATOM 0 HG22 THR A 60 2.970 -3.114 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 60 3.284 -4.458 -7.792 1.00 0.00 H new ATOM 661 N ASP A 61 0.375 -1.284 -8.334 1.00 0.00 N ATOM 662 CA ASP A 61 0.579 0.131 -8.651 1.00 0.00 C ATOM 663 C ASP A 61 0.713 0.945 -7.372 1.00 0.00 C ATOM 664 O ASP A 61 1.656 1.715 -7.195 1.00 0.00 O ATOM 665 CB ASP A 61 -0.620 0.670 -9.433 1.00 0.00 C ATOM 666 CG ASP A 61 -0.244 1.779 -10.392 1.00 0.00 C ATOM 667 OD1 ASP A 61 -0.040 2.923 -9.943 1.00 0.00 O ATOM 668 OD2 ASP A 61 -0.158 1.506 -11.607 1.00 0.00 O ATOM 0 H ASP A 61 -0.437 -1.698 -8.792 1.00 0.00 H new ATOM 0 HA ASP A 61 1.489 0.217 -9.245 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -1.081 -0.146 -9.990 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.368 1.040 -8.732 1.00 0.00 H new ATOM 673 N LEU A 62 -0.239 0.734 -6.477 1.00 0.00 N ATOM 674 CA LEU A 62 -0.304 1.469 -5.226 1.00 0.00 C ATOM 675 C LEU A 62 0.849 1.075 -4.307 1.00 0.00 C ATOM 676 O LEU A 62 1.406 1.906 -3.595 1.00 0.00 O ATOM 677 CB LEU A 62 -1.639 1.192 -4.528 1.00 0.00 C ATOM 678 CG LEU A 62 -2.869 1.152 -5.441 1.00 0.00 C ATOM 679 CD1 LEU A 62 -4.131 0.975 -4.610 1.00 0.00 C ATOM 680 CD2 LEU A 62 -2.952 2.409 -6.298 1.00 0.00 C ATOM 0 H LEU A 62 -0.986 0.050 -6.598 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.224 2.533 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.565 0.238 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.797 1.958 -3.769 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.775 0.299 -6.114 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.999 0.948 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.070 0.041 -4.051 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.229 1.809 -3.915 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.833 2.356 -6.937 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.023 3.285 -5.653 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.059 2.486 -6.918 1.00 0.00 H new ATOM 692 N ARG A 63 1.208 -0.200 -4.344 1.00 0.00 N ATOM 693 CA ARG A 63 2.260 -0.725 -3.486 1.00 0.00 C ATOM 694 C ARG A 63 3.624 -0.181 -3.878 1.00 0.00 C ATOM 695 O ARG A 63 4.492 -0.001 -3.026 1.00 0.00 O ATOM 696 CB ARG A 63 2.262 -2.250 -3.519 1.00 0.00 C ATOM 697 CG ARG A 63 1.067 -2.852 -2.806 1.00 0.00 C ATOM 698 CD ARG A 63 1.175 -4.359 -2.708 1.00 0.00 C ATOM 699 NE ARG A 63 1.101 -5.002 -4.022 1.00 0.00 N ATOM 700 CZ ARG A 63 1.916 -5.982 -4.416 1.00 0.00 C ATOM 701 NH1 ARG A 63 2.820 -6.473 -3.579 1.00 0.00 N ATOM 702 NH2 ARG A 63 1.820 -6.480 -5.643 1.00 0.00 N ATOM 0 H ARG A 63 0.784 -0.892 -4.962 1.00 0.00 H new ATOM 0 HA ARG A 63 2.054 -0.396 -2.468 1.00 0.00 H new ATOM 0 HB2 ARG A 63 2.269 -2.587 -4.556 1.00 0.00 H new ATOM 0 HB3 ARG A 63 3.178 -2.618 -3.058 1.00 0.00 H new ATOM 0 HG2 ARG A 63 0.988 -2.427 -1.805 1.00 0.00 H new ATOM 0 HG3 ARG A 63 0.154 -2.586 -3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 63 2.117 -4.624 -2.227 1.00 0.00 H new ATOM 0 HD3 ARG A 63 0.375 -4.739 -2.073 1.00 0.00 H new ATOM 0 HE ARG A 63 0.385 -4.682 -4.674 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.893 -6.101 -2.632 1.00 0.00 H new ATOM 0 HH12 ARG A 63 3.442 -7.222 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 63 1.121 -6.113 -6.289 1.00 0.00 H new ATOM 0 HH22 ARG A 63 2.445 -7.229 -5.940 1.00 0.00 H new ATOM 716 N GLN A 64 3.820 0.077 -5.166 1.00 0.00 N ATOM 717 CA GLN A 64 5.043 0.713 -5.621 1.00 0.00 C ATOM 718 C GLN A 64 5.120 2.143 -5.108 1.00 0.00 C ATOM 719 O GLN A 64 6.209 2.653 -4.847 1.00 0.00 O ATOM 720 CB GLN A 64 5.149 0.668 -7.143 1.00 0.00 C ATOM 721 CG GLN A 64 5.351 -0.739 -7.680 1.00 0.00 C ATOM 722 CD GLN A 64 5.749 -0.761 -9.142 1.00 0.00 C ATOM 723 OE1 GLN A 64 6.352 0.184 -9.650 1.00 0.00 O ATOM 724 NE2 GLN A 64 5.456 -1.861 -9.815 1.00 0.00 N ATOM 0 H GLN A 64 3.152 -0.143 -5.905 1.00 0.00 H new ATOM 0 HA GLN A 64 5.890 0.159 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 64 4.243 1.091 -7.578 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.980 1.297 -7.463 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.120 -1.240 -7.092 1.00 0.00 H new ATOM 0 HG3 GLN A 64 4.430 -1.307 -7.551 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.955 -2.621 -9.356 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.731 -1.949 -10.793 1.00 0.00 H new ATOM 733 N LYS A 65 3.963 2.781 -4.947 1.00 0.00 N ATOM 734 CA LYS A 65 3.908 4.089 -4.308 1.00 0.00 C ATOM 735 C LYS A 65 4.316 3.960 -2.850 1.00 0.00 C ATOM 736 O LYS A 65 5.193 4.679 -2.382 1.00 0.00 O ATOM 737 CB LYS A 65 2.509 4.698 -4.393 1.00 0.00 C ATOM 738 CG LYS A 65 2.391 6.059 -3.718 1.00 0.00 C ATOM 739 CD LYS A 65 2.819 7.183 -4.648 1.00 0.00 C ATOM 740 CE LYS A 65 4.309 7.446 -4.556 1.00 0.00 C ATOM 741 NZ LYS A 65 4.815 8.225 -5.715 1.00 0.00 N ATOM 0 H LYS A 65 3.059 2.416 -5.248 1.00 0.00 H new ATOM 0 HA LYS A 65 4.597 4.750 -4.834 1.00 0.00 H new ATOM 0 HB2 LYS A 65 2.229 4.797 -5.442 1.00 0.00 H new ATOM 0 HB3 LYS A 65 1.796 4.012 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.361 6.221 -3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.007 6.075 -2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 65 2.557 6.927 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 65 2.272 8.092 -4.397 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.524 7.988 -3.635 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.841 6.496 -4.499 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 5.489 7.646 -6.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 4.019 8.492 -6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 5.292 9.084 -5.374 1.00 0.00 H new ATOM 755 N VAL A 66 3.673 3.027 -2.149 1.00 0.00 N ATOM 756 CA VAL A 66 3.984 2.739 -0.749 1.00 0.00 C ATOM 757 C VAL A 66 5.485 2.509 -0.558 1.00 0.00 C ATOM 758 O VAL A 66 6.072 2.986 0.415 1.00 0.00 O ATOM 759 CB VAL A 66 3.189 1.507 -0.247 1.00 0.00 C ATOM 760 CG1 VAL A 66 3.681 1.075 1.118 1.00 0.00 C ATOM 761 CG2 VAL A 66 1.702 1.819 -0.196 1.00 0.00 C ATOM 0 H VAL A 66 2.924 2.451 -2.534 1.00 0.00 H new ATOM 0 HA VAL A 66 3.688 3.607 -0.159 1.00 0.00 H new ATOM 0 HB VAL A 66 3.350 0.688 -0.948 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.110 0.209 1.453 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.737 0.813 1.058 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.550 1.892 1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.158 0.943 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.528 2.653 0.483 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.351 2.084 -1.193 1.00 0.00 H new ATOM 771 N TYR A 67 6.102 1.807 -1.502 1.00 0.00 N ATOM 772 CA TYR A 67 7.542 1.575 -1.472 1.00 0.00 C ATOM 773 C TYR A 67 8.315 2.896 -1.532 1.00 0.00 C ATOM 774 O TYR A 67 9.177 3.154 -0.691 1.00 0.00 O ATOM 775 CB TYR A 67 7.955 0.663 -2.631 1.00 0.00 C ATOM 776 CG TYR A 67 9.453 0.520 -2.797 1.00 0.00 C ATOM 777 CD1 TYR A 67 10.206 -0.235 -1.906 1.00 0.00 C ATOM 778 CD2 TYR A 67 10.115 1.144 -3.850 1.00 0.00 C ATOM 779 CE1 TYR A 67 11.574 -0.362 -2.057 1.00 0.00 C ATOM 780 CE2 TYR A 67 11.480 1.020 -4.008 1.00 0.00 C ATOM 781 CZ TYR A 67 12.204 0.268 -3.109 1.00 0.00 C ATOM 782 OH TYR A 67 13.566 0.146 -3.263 1.00 0.00 O ATOM 0 H TYR A 67 5.626 1.387 -2.300 1.00 0.00 H new ATOM 0 HA TYR A 67 7.787 1.084 -0.530 1.00 0.00 H new ATOM 0 HB2 TYR A 67 7.521 -0.325 -2.475 1.00 0.00 H new ATOM 0 HB3 TYR A 67 7.533 1.055 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 67 9.714 -0.731 -1.082 1.00 0.00 H new ATOM 0 HD2 TYR A 67 9.551 1.736 -4.556 1.00 0.00 H new ATOM 0 HE1 TYR A 67 12.146 -0.951 -1.355 1.00 0.00 H new ATOM 0 HE2 TYR A 67 11.978 1.510 -4.832 1.00 0.00 H new ATOM 0 HH TYR A 67 13.852 0.650 -4.053 1.00 0.00 H new ATOM 792 N GLU A 68 8.000 3.724 -2.529 1.00 0.00 N ATOM 793 CA GLU A 68 8.637 5.034 -2.670 1.00 0.00 C ATOM 794 C GLU A 68 8.433 5.865 -1.411 1.00 0.00 C ATOM 795 O GLU A 68 9.370 6.450 -0.877 1.00 0.00 O ATOM 796 CB GLU A 68 8.060 5.797 -3.862 1.00 0.00 C ATOM 797 CG GLU A 68 8.111 5.036 -5.172 1.00 0.00 C ATOM 798 CD GLU A 68 7.660 5.883 -6.342 1.00 0.00 C ATOM 799 OE1 GLU A 68 6.436 5.995 -6.564 1.00 0.00 O ATOM 800 OE2 GLU A 68 8.521 6.433 -7.062 1.00 0.00 O ATOM 0 H GLU A 68 7.309 3.512 -3.249 1.00 0.00 H new ATOM 0 HA GLU A 68 9.702 4.865 -2.831 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.024 6.056 -3.646 1.00 0.00 H new ATOM 0 HB3 GLU A 68 8.605 6.734 -3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 68 9.129 4.688 -5.349 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.479 4.151 -5.101 1.00 0.00 H new ATOM 807 N LEU A 69 7.198 5.879 -0.937 1.00 0.00 N ATOM 808 CA LEU A 69 6.798 6.675 0.214 1.00 0.00 C ATOM 809 C LEU A 69 7.647 6.372 1.446 1.00 0.00 C ATOM 810 O LEU A 69 7.892 7.256 2.271 1.00 0.00 O ATOM 811 CB LEU A 69 5.323 6.418 0.498 1.00 0.00 C ATOM 812 CG LEU A 69 4.385 6.880 -0.614 1.00 0.00 C ATOM 813 CD1 LEU A 69 2.988 6.315 -0.422 1.00 0.00 C ATOM 814 CD2 LEU A 69 4.353 8.395 -0.666 1.00 0.00 C ATOM 0 H LEU A 69 6.438 5.334 -1.343 1.00 0.00 H new ATOM 0 HA LEU A 69 6.956 7.728 -0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 69 5.176 5.351 0.662 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.049 6.924 1.424 1.00 0.00 H new ATOM 0 HG LEU A 69 4.763 6.504 -1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.342 6.661 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.031 5.226 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.587 6.652 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.682 8.718 -1.462 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.998 8.784 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 69 5.356 8.774 -0.862 1.00 0.00 H new ATOM 826 N MET A 70 8.100 5.129 1.564 1.00 0.00 N ATOM 827 CA MET A 70 8.977 4.741 2.667 1.00 0.00 C ATOM 828 C MET A 70 10.261 5.562 2.639 1.00 0.00 C ATOM 829 O MET A 70 10.647 6.163 3.640 1.00 0.00 O ATOM 830 CB MET A 70 9.336 3.252 2.596 1.00 0.00 C ATOM 831 CG MET A 70 8.139 2.318 2.591 1.00 0.00 C ATOM 832 SD MET A 70 8.621 0.585 2.522 1.00 0.00 S ATOM 833 CE MET A 70 7.085 -0.131 1.962 1.00 0.00 C ATOM 0 H MET A 70 7.877 4.375 0.914 1.00 0.00 H new ATOM 0 HA MET A 70 8.437 4.930 3.595 1.00 0.00 H new ATOM 0 HB2 MET A 70 9.923 3.075 1.695 1.00 0.00 H new ATOM 0 HB3 MET A 70 9.972 3.003 3.445 1.00 0.00 H new ATOM 0 HG2 MET A 70 7.543 2.491 3.487 1.00 0.00 H new ATOM 0 HG3 MET A 70 7.504 2.550 1.736 1.00 0.00 H new ATOM 0 HE1 MET A 70 7.291 -1.044 1.403 1.00 0.00 H new ATOM 0 HE2 MET A 70 6.458 -0.366 2.822 1.00 0.00 H new ATOM 0 HE3 MET A 70 6.566 0.579 1.318 1.00 0.00 H new ATOM 843 N GLN A 71 10.905 5.609 1.478 1.00 0.00 N ATOM 844 CA GLN A 71 12.167 6.322 1.336 1.00 0.00 C ATOM 845 C GLN A 71 11.931 7.817 1.136 1.00 0.00 C ATOM 846 O GLN A 71 12.842 8.625 1.319 1.00 0.00 O ATOM 847 CB GLN A 71 12.993 5.733 0.189 1.00 0.00 C ATOM 848 CG GLN A 71 12.181 5.437 -1.060 1.00 0.00 C ATOM 849 CD GLN A 71 13.028 4.928 -2.208 1.00 0.00 C ATOM 850 OE1 GLN A 71 13.224 3.722 -2.364 1.00 0.00 O ATOM 851 NE2 GLN A 71 13.543 5.841 -3.011 1.00 0.00 N ATOM 0 H GLN A 71 10.574 5.162 0.623 1.00 0.00 H new ATOM 0 HA GLN A 71 12.735 6.198 2.258 1.00 0.00 H new ATOM 0 HB2 GLN A 71 13.793 6.428 -0.065 1.00 0.00 H new ATOM 0 HB3 GLN A 71 13.467 4.813 0.530 1.00 0.00 H new ATOM 0 HG2 GLN A 71 11.417 4.697 -0.823 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.661 6.343 -1.372 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.355 6.830 -2.846 1.00 0.00 H new ATOM 0 HE22 GLN A 71 14.128 5.557 -3.797 1.00 0.00 H new ATOM 860 N GLU A 72 10.704 8.182 0.768 1.00 0.00 N ATOM 861 CA GLU A 72 10.313 9.587 0.722 1.00 0.00 C ATOM 862 C GLU A 72 10.296 10.162 2.127 1.00 0.00 C ATOM 863 O GLU A 72 10.441 11.370 2.322 1.00 0.00 O ATOM 864 CB GLU A 72 8.927 9.768 0.096 1.00 0.00 C ATOM 865 CG GLU A 72 8.856 9.402 -1.372 1.00 0.00 C ATOM 866 CD GLU A 72 7.525 9.763 -2.000 1.00 0.00 C ATOM 867 OE1 GLU A 72 6.796 10.598 -1.420 1.00 0.00 O ATOM 868 OE2 GLU A 72 7.192 9.192 -3.059 1.00 0.00 O ATOM 0 H GLU A 72 9.969 7.528 0.499 1.00 0.00 H new ATOM 0 HA GLU A 72 11.043 10.111 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 72 8.210 9.158 0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.620 10.807 0.215 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.656 9.911 -1.909 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.028 8.332 -1.484 1.00 0.00 H new ATOM 875 N GLY A 73 10.076 9.289 3.102 1.00 0.00 N ATOM 876 CA GLY A 73 10.103 9.699 4.483 1.00 0.00 C ATOM 877 C GLY A 73 8.720 10.003 4.988 1.00 0.00 C ATOM 878 O GLY A 73 8.547 10.780 5.926 1.00 0.00 O ATOM 0 H GLY A 73 9.879 8.299 2.954 1.00 0.00 H new ATOM 0 HA2 GLY A 73 10.549 8.911 5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 73 10.734 10.581 4.591 1.00 0.00 H new ATOM 882 N LYS A 74 7.727 9.396 4.355 1.00 0.00 N ATOM 883 CA LYS A 74 6.348 9.599 4.749 1.00 0.00 C ATOM 884 C LYS A 74 6.065 8.862 6.054 1.00 0.00 C ATOM 885 O LYS A 74 6.804 7.957 6.445 1.00 0.00 O ATOM 886 CB LYS A 74 5.401 9.089 3.670 1.00 0.00 C ATOM 887 CG LYS A 74 5.703 9.629 2.285 1.00 0.00 C ATOM 888 CD LYS A 74 5.285 11.080 2.151 1.00 0.00 C ATOM 889 CE LYS A 74 6.359 11.904 1.474 1.00 0.00 C ATOM 890 NZ LYS A 74 7.407 12.347 2.430 1.00 0.00 N ATOM 0 H LYS A 74 7.854 8.760 3.568 1.00 0.00 H new ATOM 0 HA LYS A 74 6.186 10.668 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.448 8.000 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 74 4.380 9.357 3.940 1.00 0.00 H new ATOM 0 HG2 LYS A 74 6.770 9.536 2.082 1.00 0.00 H new ATOM 0 HG3 LYS A 74 5.183 9.029 1.538 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.361 11.142 1.577 1.00 0.00 H new ATOM 0 HD3 LYS A 74 5.076 11.493 3.138 1.00 0.00 H new ATOM 0 HE2 LYS A 74 6.819 11.317 0.679 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.905 12.776 1.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.468 13.385 2.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 7.164 12.022 3.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 8.324 11.945 2.150 1.00 0.00 H new ATOM 904 N SER A 75 4.991 9.248 6.706 1.00 0.00 N ATOM 905 CA SER A 75 4.553 8.596 7.929 1.00 0.00 C ATOM 906 C SER A 75 3.463 7.588 7.587 1.00 0.00 C ATOM 907 O SER A 75 2.969 7.595 6.469 1.00 0.00 O ATOM 908 CB SER A 75 4.049 9.645 8.918 1.00 0.00 C ATOM 909 OG SER A 75 5.010 10.674 9.091 1.00 0.00 O ATOM 0 H SER A 75 4.395 10.020 6.408 1.00 0.00 H new ATOM 0 HA SER A 75 5.384 8.067 8.396 1.00 0.00 H new ATOM 0 HB2 SER A 75 3.113 10.072 8.558 1.00 0.00 H new ATOM 0 HB3 SER A 75 3.836 9.174 9.878 1.00 0.00 H new ATOM 0 HG SER A 75 4.668 11.337 9.727 1.00 0.00 H new ATOM 915 N LYS A 76 3.090 6.727 8.528 1.00 0.00 N ATOM 916 CA LYS A 76 2.142 5.647 8.240 1.00 0.00 C ATOM 917 C LYS A 76 0.858 6.174 7.604 1.00 0.00 C ATOM 918 O LYS A 76 0.486 5.758 6.506 1.00 0.00 O ATOM 919 CB LYS A 76 1.826 4.847 9.504 1.00 0.00 C ATOM 920 CG LYS A 76 2.750 3.655 9.731 1.00 0.00 C ATOM 921 CD LYS A 76 4.207 4.062 9.939 1.00 0.00 C ATOM 922 CE LYS A 76 4.989 4.099 8.633 1.00 0.00 C ATOM 923 NZ LYS A 76 6.413 4.478 8.846 1.00 0.00 N ATOM 0 H LYS A 76 3.425 6.752 9.491 1.00 0.00 H new ATOM 0 HA LYS A 76 2.618 4.983 7.519 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.887 5.511 10.366 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.797 4.491 9.449 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.406 3.096 10.602 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.685 2.983 8.875 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.244 5.044 10.410 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.683 3.362 10.625 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.942 3.121 8.154 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.523 4.810 7.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.982 4.158 8.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.488 5.512 8.934 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.765 4.030 9.716 1.00 0.00 H new ATOM 937 N LYS A 77 0.194 7.096 8.284 1.00 0.00 N ATOM 938 CA LYS A 77 -1.020 7.708 7.747 1.00 0.00 C ATOM 939 C LYS A 77 -0.681 8.574 6.552 1.00 0.00 C ATOM 940 O LYS A 77 -1.435 8.654 5.596 1.00 0.00 O ATOM 941 CB LYS A 77 -1.731 8.542 8.812 1.00 0.00 C ATOM 942 CG LYS A 77 -1.933 7.787 10.106 1.00 0.00 C ATOM 943 CD LYS A 77 -2.600 6.449 9.849 1.00 0.00 C ATOM 944 CE LYS A 77 -2.719 5.615 11.112 1.00 0.00 C ATOM 945 NZ LYS A 77 -3.334 4.287 10.841 1.00 0.00 N ATOM 0 H LYS A 77 0.470 7.438 9.204 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.693 6.910 7.433 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -1.151 9.443 9.009 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.699 8.864 8.429 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.972 7.631 10.596 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.545 8.379 10.786 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -3.593 6.614 9.430 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.027 5.897 9.104 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.731 5.475 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.320 6.151 11.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.130 4.133 11.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -3.679 4.258 9.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.623 3.540 10.980 1.00 0.00 H new ATOM 959 N GLU A 78 0.471 9.210 6.622 1.00 0.00 N ATOM 960 CA GLU A 78 0.957 10.054 5.538 1.00 0.00 C ATOM 961 C GLU A 78 1.094 9.255 4.238 1.00 0.00 C ATOM 962 O GLU A 78 0.781 9.759 3.170 1.00 0.00 O ATOM 963 CB GLU A 78 2.298 10.675 5.929 1.00 0.00 C ATOM 964 CG GLU A 78 2.937 11.534 4.853 1.00 0.00 C ATOM 965 CD GLU A 78 2.188 12.828 4.604 1.00 0.00 C ATOM 966 OE1 GLU A 78 2.222 13.726 5.465 1.00 0.00 O ATOM 967 OE2 GLU A 78 1.533 12.941 3.546 1.00 0.00 O ATOM 0 H GLU A 78 1.097 9.160 7.426 1.00 0.00 H new ATOM 0 HA GLU A 78 0.232 10.849 5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.155 11.283 6.822 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.990 9.875 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.963 11.764 5.141 1.00 0.00 H new ATOM 0 HG3 GLU A 78 2.987 10.965 3.924 1.00 0.00 H new ATOM 974 N ILE A 79 1.552 8.010 4.336 1.00 0.00 N ATOM 975 CA ILE A 79 1.676 7.152 3.164 1.00 0.00 C ATOM 976 C ILE A 79 0.311 6.906 2.523 1.00 0.00 C ATOM 977 O ILE A 79 0.125 7.144 1.329 1.00 0.00 O ATOM 978 CB ILE A 79 2.344 5.788 3.499 1.00 0.00 C ATOM 979 CG1 ILE A 79 3.863 5.867 3.343 1.00 0.00 C ATOM 980 CG2 ILE A 79 1.781 4.682 2.617 1.00 0.00 C ATOM 981 CD1 ILE A 79 4.635 5.871 4.647 1.00 0.00 C ATOM 0 H ILE A 79 1.842 7.575 5.212 1.00 0.00 H new ATOM 0 HA ILE A 79 2.320 7.679 2.460 1.00 0.00 H new ATOM 0 HB ILE A 79 2.119 5.553 4.539 1.00 0.00 H new ATOM 0 HG12 ILE A 79 4.197 5.022 2.742 1.00 0.00 H new ATOM 0 HG13 ILE A 79 4.111 6.771 2.787 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.262 3.736 2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.707 4.597 2.781 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.971 4.919 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 79 5.703 5.929 4.437 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.335 6.732 5.245 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.423 4.955 5.198 1.00 0.00 H new ATOM 993 N VAL A 80 -0.646 6.451 3.321 1.00 0.00 N ATOM 994 CA VAL A 80 -1.977 6.155 2.814 1.00 0.00 C ATOM 995 C VAL A 80 -2.690 7.442 2.400 1.00 0.00 C ATOM 996 O VAL A 80 -3.475 7.458 1.452 1.00 0.00 O ATOM 997 CB VAL A 80 -2.824 5.350 3.833 1.00 0.00 C ATOM 998 CG1 VAL A 80 -2.740 5.948 5.224 1.00 0.00 C ATOM 999 CG2 VAL A 80 -4.267 5.277 3.384 1.00 0.00 C ATOM 0 H VAL A 80 -0.525 6.280 4.319 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.860 5.524 1.933 1.00 0.00 H new ATOM 0 HB VAL A 80 -2.414 4.341 3.876 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.346 5.357 5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -1.703 5.944 5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.111 6.973 5.202 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.846 4.708 4.112 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.675 6.285 3.304 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.321 4.785 2.413 1.00 0.00 H new ATOM 1009 N ASP A 81 -2.392 8.519 3.103 1.00 0.00 N ATOM 1010 CA ASP A 81 -2.965 9.824 2.790 1.00 0.00 C ATOM 1011 C ASP A 81 -2.366 10.358 1.497 1.00 0.00 C ATOM 1012 O ASP A 81 -3.039 11.010 0.706 1.00 0.00 O ATOM 1013 CB ASP A 81 -2.722 10.808 3.930 1.00 0.00 C ATOM 1014 CG ASP A 81 -3.278 12.188 3.649 1.00 0.00 C ATOM 1015 OD1 ASP A 81 -4.506 12.376 3.770 1.00 0.00 O ATOM 1016 OD2 ASP A 81 -2.482 13.099 3.339 1.00 0.00 O ATOM 0 H ASP A 81 -1.754 8.520 3.899 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.041 9.708 2.662 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -3.175 10.418 4.842 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -1.650 10.885 4.114 1.00 0.00 H new ATOM 1021 N TYR A 82 -1.099 10.052 1.283 1.00 0.00 N ATOM 1022 CA TYR A 82 -0.421 10.385 0.039 1.00 0.00 C ATOM 1023 C TYR A 82 -1.045 9.571 -1.084 1.00 0.00 C ATOM 1024 O TYR A 82 -1.210 10.049 -2.210 1.00 0.00 O ATOM 1025 CB TYR A 82 1.074 10.078 0.161 1.00 0.00 C ATOM 1026 CG TYR A 82 1.947 10.806 -0.837 1.00 0.00 C ATOM 1027 CD1 TYR A 82 1.945 10.455 -2.183 1.00 0.00 C ATOM 1028 CD2 TYR A 82 2.749 11.859 -0.436 1.00 0.00 C ATOM 1029 CE1 TYR A 82 2.729 11.135 -3.096 1.00 0.00 C ATOM 1030 CE2 TYR A 82 3.532 12.546 -1.342 1.00 0.00 C ATOM 1031 CZ TYR A 82 3.581 12.105 -2.672 1.00 0.00 C ATOM 1032 OH TYR A 82 4.297 12.869 -3.576 1.00 0.00 O ATOM 0 H TYR A 82 -0.512 9.568 1.962 1.00 0.00 H new ATOM 0 HA TYR A 82 -0.532 11.448 -0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 82 1.404 10.334 1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.223 9.005 0.040 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.322 9.640 -2.520 1.00 0.00 H new ATOM 0 HD2 TYR A 82 2.763 12.149 0.604 1.00 0.00 H new ATOM 0 HE1 TYR A 82 2.664 10.895 -4.147 1.00 0.00 H new ATOM 0 HE2 TYR A 82 4.099 13.411 -1.031 1.00 0.00 H new ATOM 0 HH TYR A 82 4.854 13.513 -3.091 1.00 0.00 H new ATOM 1042 N MET A 83 -1.407 8.336 -0.754 1.00 0.00 N ATOM 1043 CA MET A 83 -2.120 7.471 -1.678 1.00 0.00 C ATOM 1044 C MET A 83 -3.467 8.075 -2.042 1.00 0.00 C ATOM 1045 O MET A 83 -3.794 8.196 -3.212 1.00 0.00 O ATOM 1046 CB MET A 83 -2.334 6.078 -1.077 1.00 0.00 C ATOM 1047 CG MET A 83 -1.060 5.268 -0.912 1.00 0.00 C ATOM 1048 SD MET A 83 -0.981 3.866 -2.044 1.00 0.00 S ATOM 1049 CE MET A 83 -1.134 4.693 -3.624 1.00 0.00 C ATOM 0 H MET A 83 -1.215 7.912 0.154 1.00 0.00 H new ATOM 0 HA MET A 83 -1.511 7.376 -2.577 1.00 0.00 H new ATOM 0 HB2 MET A 83 -2.812 6.184 -0.103 1.00 0.00 H new ATOM 0 HB3 MET A 83 -3.024 5.523 -1.712 1.00 0.00 H new ATOM 0 HG2 MET A 83 -0.198 5.914 -1.079 1.00 0.00 H new ATOM 0 HG3 MET A 83 -0.994 4.906 0.114 1.00 0.00 H new ATOM 0 HE1 MET A 83 -0.435 4.252 -4.335 1.00 0.00 H new ATOM 0 HE2 MET A 83 -2.151 4.578 -3.998 1.00 0.00 H new ATOM 0 HE3 MET A 83 -0.909 5.753 -3.503 1.00 0.00 H new ATOM 1059 N VAL A 84 -4.246 8.459 -1.039 1.00 0.00 N ATOM 1060 CA VAL A 84 -5.586 8.987 -1.283 1.00 0.00 C ATOM 1061 C VAL A 84 -5.544 10.371 -1.921 1.00 0.00 C ATOM 1062 O VAL A 84 -6.452 10.748 -2.660 1.00 0.00 O ATOM 1063 CB VAL A 84 -6.460 9.029 -0.005 1.00 0.00 C ATOM 1064 CG1 VAL A 84 -6.680 7.632 0.531 1.00 0.00 C ATOM 1065 CG2 VAL A 84 -5.849 9.906 1.077 1.00 0.00 C ATOM 0 H VAL A 84 -3.978 8.416 -0.056 1.00 0.00 H new ATOM 0 HA VAL A 84 -6.049 8.289 -1.981 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.418 9.466 -0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -7.296 7.680 1.429 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.184 7.028 -0.223 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.718 7.180 0.774 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.496 9.906 1.954 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.868 9.517 1.350 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.745 10.925 0.704 1.00 0.00 H new ATOM 1075 N ALA A 85 -4.503 11.131 -1.622 1.00 0.00 N ATOM 1076 CA ALA A 85 -4.336 12.458 -2.191 1.00 0.00 C ATOM 1077 C ALA A 85 -4.105 12.382 -3.700 1.00 0.00 C ATOM 1078 O ALA A 85 -4.702 13.140 -4.462 1.00 0.00 O ATOM 1079 CB ALA A 85 -3.185 13.174 -1.501 1.00 0.00 C ATOM 0 H ALA A 85 -3.758 10.850 -0.985 1.00 0.00 H new ATOM 0 HA ALA A 85 -5.252 13.026 -2.027 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -3.064 14.168 -1.932 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.398 13.263 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -2.266 12.604 -1.640 1.00 0.00 H new ATOM 1085 N ARG A 86 -3.246 11.458 -4.127 1.00 0.00 N ATOM 1086 CA ARG A 86 -2.913 11.313 -5.547 1.00 0.00 C ATOM 1087 C ARG A 86 -3.810 10.286 -6.237 1.00 0.00 C ATOM 1088 O ARG A 86 -4.421 10.566 -7.267 1.00 0.00 O ATOM 1089 CB ARG A 86 -1.447 10.895 -5.715 1.00 0.00 C ATOM 1090 CG ARG A 86 -0.477 12.040 -5.993 1.00 0.00 C ATOM 1091 CD ARG A 86 -0.404 13.046 -4.853 1.00 0.00 C ATOM 1092 NE ARG A 86 -1.509 14.002 -4.881 1.00 0.00 N ATOM 1093 CZ ARG A 86 -1.575 15.091 -4.120 1.00 0.00 C ATOM 1094 NH1 ARG A 86 -0.569 15.408 -3.313 1.00 0.00 N ATOM 1095 NH2 ARG A 86 -2.641 15.876 -4.188 1.00 0.00 N ATOM 0 H ARG A 86 -2.768 10.799 -3.513 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.076 12.284 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.126 10.379 -4.810 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.381 10.177 -6.532 1.00 0.00 H new ATOM 0 HG2 ARG A 86 0.517 11.631 -6.174 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -0.781 12.554 -6.905 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -0.412 12.514 -3.902 1.00 0.00 H new ATOM 0 HD3 ARG A 86 0.541 13.586 -4.909 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.279 13.823 -5.525 1.00 0.00 H new ATOM 0 HH11 ARG A 86 0.260 14.815 -3.274 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.625 16.244 -2.732 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -3.406 15.644 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -2.697 16.712 -3.607 1.00 0.00 H new ATOM 1109 N TYR A 87 -3.898 9.106 -5.648 1.00 0.00 N ATOM 1110 CA TYR A 87 -4.576 7.970 -6.261 1.00 0.00 C ATOM 1111 C TYR A 87 -5.963 7.759 -5.662 1.00 0.00 C ATOM 1112 O TYR A 87 -6.449 6.634 -5.600 1.00 0.00 O ATOM 1113 CB TYR A 87 -3.740 6.703 -6.062 1.00 0.00 C ATOM 1114 CG TYR A 87 -2.366 6.743 -6.704 1.00 0.00 C ATOM 1115 CD1 TYR A 87 -2.180 6.320 -8.013 1.00 0.00 C ATOM 1116 CD2 TYR A 87 -1.253 7.186 -5.993 1.00 0.00 C ATOM 1117 CE1 TYR A 87 -0.929 6.338 -8.598 1.00 0.00 C ATOM 1118 CE2 TYR A 87 0.004 7.206 -6.573 1.00 0.00 C ATOM 1119 CZ TYR A 87 0.159 6.781 -7.874 1.00 0.00 C ATOM 1120 OH TYR A 87 1.407 6.794 -8.458 1.00 0.00 O ATOM 0 H TYR A 87 -3.502 8.905 -4.730 1.00 0.00 H new ATOM 0 HA TYR A 87 -4.691 8.181 -7.324 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -3.622 6.526 -4.993 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -4.290 5.854 -6.466 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -3.028 5.971 -8.584 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -1.373 7.519 -4.973 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -0.803 6.007 -9.618 1.00 0.00 H new ATOM 0 HE2 TYR A 87 0.857 7.553 -6.009 1.00 0.00 H new ATOM 0 HH TYR A 87 2.065 7.134 -7.816 1.00 0.00 H new ATOM 1130 N GLY A 88 -6.612 8.839 -5.254 1.00 0.00 N ATOM 1131 CA GLY A 88 -7.871 8.724 -4.535 1.00 0.00 C ATOM 1132 C GLY A 88 -9.006 8.135 -5.356 1.00 0.00 C ATOM 1133 O GLY A 88 -10.022 7.714 -4.800 1.00 0.00 O ATOM 0 H GLY A 88 -6.292 9.795 -5.406 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -7.717 8.104 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -8.167 9.712 -4.183 1.00 0.00 H new ATOM 1137 N ASN A 89 -8.849 8.100 -6.673 1.00 0.00 N ATOM 1138 CA ASN A 89 -9.851 7.480 -7.537 1.00 0.00 C ATOM 1139 C ASN A 89 -9.695 5.967 -7.560 1.00 0.00 C ATOM 1140 O ASN A 89 -10.544 5.254 -8.094 1.00 0.00 O ATOM 1141 CB ASN A 89 -9.771 8.028 -8.962 1.00 0.00 C ATOM 1142 CG ASN A 89 -10.441 9.380 -9.107 1.00 0.00 C ATOM 1143 OD1 ASN A 89 -9.810 10.423 -8.941 1.00 0.00 O ATOM 1144 ND2 ASN A 89 -11.727 9.369 -9.420 1.00 0.00 N ATOM 0 H ASN A 89 -8.045 8.490 -7.165 1.00 0.00 H new ATOM 0 HA ASN A 89 -10.829 7.726 -7.123 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -8.725 8.112 -9.256 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -10.239 7.320 -9.646 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -12.232 10.248 -9.532 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -12.213 8.482 -9.549 1.00 0.00 H new ATOM 1151 N PHE A 90 -8.610 5.484 -6.978 1.00 0.00 N ATOM 1152 CA PHE A 90 -8.335 4.052 -6.936 1.00 0.00 C ATOM 1153 C PHE A 90 -8.199 3.571 -5.496 1.00 0.00 C ATOM 1154 O PHE A 90 -8.500 2.419 -5.182 1.00 0.00 O ATOM 1155 CB PHE A 90 -7.052 3.728 -7.708 1.00 0.00 C ATOM 1156 CG PHE A 90 -7.091 4.147 -9.150 1.00 0.00 C ATOM 1157 CD1 PHE A 90 -7.764 3.382 -10.090 1.00 0.00 C ATOM 1158 CD2 PHE A 90 -6.454 5.307 -9.564 1.00 0.00 C ATOM 1159 CE1 PHE A 90 -7.799 3.766 -11.416 1.00 0.00 C ATOM 1160 CE2 PHE A 90 -6.486 5.696 -10.889 1.00 0.00 C ATOM 1161 CZ PHE A 90 -7.161 4.924 -11.816 1.00 0.00 C ATOM 0 H PHE A 90 -7.902 6.062 -6.526 1.00 0.00 H new ATOM 0 HA PHE A 90 -9.173 3.536 -7.404 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -6.211 4.219 -7.219 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.869 2.655 -7.656 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -8.266 2.477 -9.782 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.927 5.913 -8.842 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -8.325 3.161 -12.140 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.985 6.601 -11.200 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.190 5.226 -12.852 1.00 0.00 H new ATOM 1171 N VAL A 91 -7.737 4.460 -4.630 1.00 0.00 N ATOM 1172 CA VAL A 91 -7.516 4.132 -3.233 1.00 0.00 C ATOM 1173 C VAL A 91 -8.473 4.943 -2.362 1.00 0.00 C ATOM 1174 O VAL A 91 -9.108 5.881 -2.844 1.00 0.00 O ATOM 1175 CB VAL A 91 -6.049 4.416 -2.811 1.00 0.00 C ATOM 1176 CG1 VAL A 91 -5.116 4.352 -4.004 1.00 0.00 C ATOM 1177 CG2 VAL A 91 -5.918 5.766 -2.145 1.00 0.00 C ATOM 0 H VAL A 91 -7.506 5.423 -4.875 1.00 0.00 H new ATOM 0 HA VAL A 91 -7.704 3.067 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.768 3.643 -2.096 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.096 4.555 -3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -5.164 3.359 -4.451 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -5.417 5.096 -4.741 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.879 5.933 -1.862 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -6.235 6.546 -2.837 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.545 5.795 -1.254 1.00 0.00 H new ATOM 1187 N THR A 92 -8.588 4.590 -1.091 1.00 0.00 N ATOM 1188 CA THR A 92 -9.446 5.329 -0.182 1.00 0.00 C ATOM 1189 C THR A 92 -8.952 5.232 1.259 1.00 0.00 C ATOM 1190 O THR A 92 -8.422 4.204 1.677 1.00 0.00 O ATOM 1191 CB THR A 92 -10.899 4.811 -0.267 1.00 0.00 C ATOM 1192 OG1 THR A 92 -11.410 5.017 -1.590 1.00 0.00 O ATOM 1193 CG2 THR A 92 -11.796 5.506 0.745 1.00 0.00 C ATOM 0 H THR A 92 -8.100 3.800 -0.668 1.00 0.00 H new ATOM 0 HA THR A 92 -9.416 6.376 -0.485 1.00 0.00 H new ATOM 0 HB THR A 92 -10.892 3.746 -0.037 1.00 0.00 H new ATOM 0 HG1 THR A 92 -10.733 5.470 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 92 -12.811 5.118 0.658 1.00 0.00 H new ATOM 0 HG22 THR A 92 -11.421 5.320 1.752 1.00 0.00 H new ATOM 0 HG23 THR A 92 -11.800 6.579 0.552 1.00 0.00 H new ATOM 1201 N TYR A 93 -9.100 6.321 2.004 1.00 0.00 N ATOM 1202 CA TYR A 93 -8.814 6.304 3.425 1.00 0.00 C ATOM 1203 C TYR A 93 -10.133 6.232 4.181 1.00 0.00 C ATOM 1204 O TYR A 93 -10.856 7.219 4.303 1.00 0.00 O ATOM 1205 CB TYR A 93 -8.005 7.543 3.830 1.00 0.00 C ATOM 1206 CG TYR A 93 -7.492 7.497 5.256 1.00 0.00 C ATOM 1207 CD1 TYR A 93 -6.500 6.595 5.616 1.00 0.00 C ATOM 1208 CD2 TYR A 93 -7.984 8.354 6.234 1.00 0.00 C ATOM 1209 CE1 TYR A 93 -6.011 6.545 6.907 1.00 0.00 C ATOM 1210 CE2 TYR A 93 -7.500 8.309 7.530 1.00 0.00 C ATOM 1211 CZ TYR A 93 -6.512 7.404 7.860 1.00 0.00 C ATOM 1212 OH TYR A 93 -6.021 7.357 9.146 1.00 0.00 O ATOM 0 H TYR A 93 -9.416 7.222 1.645 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.208 5.432 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -7.158 7.651 3.152 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -8.628 8.429 3.706 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.103 5.920 4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -8.755 9.065 5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.239 5.836 7.168 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -7.894 8.979 8.280 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.478 8.028 9.695 1.00 0.00 H new ATOM 1222 N ASP A 94 -10.418 5.050 4.689 1.00 0.00 N ATOM 1223 CA ASP A 94 -11.721 4.711 5.242 1.00 0.00 C ATOM 1224 C ASP A 94 -11.531 3.529 6.172 1.00 0.00 C ATOM 1225 O ASP A 94 -10.476 2.890 6.118 1.00 0.00 O ATOM 1226 CB ASP A 94 -12.691 4.326 4.116 1.00 0.00 C ATOM 1227 CG ASP A 94 -13.923 5.207 4.039 1.00 0.00 C ATOM 1228 OD1 ASP A 94 -13.815 6.344 3.541 1.00 0.00 O ATOM 1229 OD2 ASP A 94 -14.997 4.781 4.509 1.00 0.00 O ATOM 0 H ASP A 94 -9.745 4.285 4.732 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.137 5.565 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -12.163 4.372 3.163 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -13.004 3.292 4.257 1.00 0.00 H new ATOM 1234 N PRO A 95 -12.489 3.232 7.063 1.00 0.00 N ATOM 1235 CA PRO A 95 -12.441 2.009 7.860 1.00 0.00 C ATOM 1236 C PRO A 95 -12.270 0.794 6.948 1.00 0.00 C ATOM 1237 O PRO A 95 -13.125 0.507 6.110 1.00 0.00 O ATOM 1238 CB PRO A 95 -13.794 1.968 8.575 1.00 0.00 C ATOM 1239 CG PRO A 95 -14.642 2.982 7.877 1.00 0.00 C ATOM 1240 CD PRO A 95 -13.694 4.021 7.349 1.00 0.00 C ATOM 0 HA PRO A 95 -11.606 1.993 8.560 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -14.240 0.975 8.516 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.687 2.207 9.633 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.210 2.525 7.067 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.364 3.425 8.563 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -14.082 4.508 6.455 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -13.502 4.805 8.081 1.00 0.00 H new ATOM 1248 N PRO A 96 -11.150 0.080 7.094 1.00 0.00 N ATOM 1249 CA PRO A 96 -10.742 -0.955 6.158 1.00 0.00 C ATOM 1250 C PRO A 96 -11.311 -2.328 6.496 1.00 0.00 C ATOM 1251 O PRO A 96 -12.195 -2.464 7.342 1.00 0.00 O ATOM 1252 CB PRO A 96 -9.223 -0.948 6.317 1.00 0.00 C ATOM 1253 CG PRO A 96 -8.981 -0.556 7.741 1.00 0.00 C ATOM 1254 CD PRO A 96 -10.201 0.208 8.208 1.00 0.00 C ATOM 0 HA PRO A 96 -11.098 -0.763 5.146 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -8.800 -1.929 6.101 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.758 -0.242 5.629 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -8.819 -1.438 8.361 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.086 0.061 7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.607 -0.212 9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.964 1.252 8.412 1.00 0.00 H new ATOM 1262 N LEU A 97 -10.772 -3.342 5.832 1.00 0.00 N ATOM 1263 CA LEU A 97 -11.204 -4.724 6.021 1.00 0.00 C ATOM 1264 C LEU A 97 -10.520 -5.335 7.232 1.00 0.00 C ATOM 1265 O LEU A 97 -10.466 -6.555 7.384 1.00 0.00 O ATOM 1266 CB LEU A 97 -10.874 -5.561 4.787 1.00 0.00 C ATOM 1267 CG LEU A 97 -11.689 -5.250 3.522 1.00 0.00 C ATOM 1268 CD1 LEU A 97 -13.180 -5.280 3.827 1.00 0.00 C ATOM 1269 CD2 LEU A 97 -11.288 -3.912 2.915 1.00 0.00 C ATOM 0 H LEU A 97 -10.024 -3.232 5.148 1.00 0.00 H new ATOM 0 HA LEU A 97 -12.283 -4.720 6.178 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -9.817 -5.429 4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -11.017 -6.612 5.037 1.00 0.00 H new ATOM 0 HG LEU A 97 -11.470 -6.023 2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -13.742 -5.058 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -13.457 -6.269 4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -13.411 -4.535 4.588 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -11.884 -3.724 2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.461 -3.117 3.640 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.232 -3.936 2.647 1.00 0.00 H new ATOM 1281 N THR A 98 -9.968 -4.468 8.059 1.00 0.00 N ATOM 1282 CA THR A 98 -9.313 -4.862 9.291 1.00 0.00 C ATOM 1283 C THR A 98 -10.261 -5.710 10.151 1.00 0.00 C ATOM 1284 O THR A 98 -11.461 -5.434 10.222 1.00 0.00 O ATOM 1285 CB THR A 98 -8.836 -3.609 10.075 1.00 0.00 C ATOM 1286 OG1 THR A 98 -7.930 -3.978 11.122 1.00 0.00 O ATOM 1287 CG2 THR A 98 -10.012 -2.839 10.668 1.00 0.00 C ATOM 0 H THR A 98 -9.962 -3.462 7.893 1.00 0.00 H new ATOM 0 HA THR A 98 -8.439 -5.465 9.044 1.00 0.00 H new ATOM 0 HB THR A 98 -8.321 -2.962 9.365 1.00 0.00 H new ATOM 0 HG1 THR A 98 -7.640 -3.174 11.602 1.00 0.00 H new ATOM 0 HG21 THR A 98 -9.641 -1.969 11.210 1.00 0.00 H new ATOM 0 HG22 THR A 98 -10.674 -2.512 9.866 1.00 0.00 H new ATOM 0 HG23 THR A 98 -10.562 -3.485 11.352 1.00 0.00 H new ATOM 1295 N PRO A 99 -9.742 -6.778 10.774 1.00 0.00 N ATOM 1296 CA PRO A 99 -10.535 -7.646 11.650 1.00 0.00 C ATOM 1297 C PRO A 99 -10.985 -6.925 12.921 1.00 0.00 C ATOM 1298 O PRO A 99 -12.144 -6.461 12.970 1.00 0.00 O ATOM 1299 CB PRO A 99 -9.576 -8.796 11.983 1.00 0.00 C ATOM 1300 CG PRO A 99 -8.213 -8.237 11.764 1.00 0.00 C ATOM 1301 CD PRO A 99 -8.347 -7.237 10.655 1.00 0.00 C ATOM 0 HA PRO A 99 -11.457 -7.978 11.173 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -9.704 -9.131 13.012 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.757 -9.659 11.342 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -7.835 -7.765 12.671 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -7.508 -9.024 11.496 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -7.642 -6.413 10.770 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.154 -7.688 9.682 1.00 0.00 H new TER 1309 PRO A 99