USER MOD reduce.3.24.130724 H: found=0, std=0, add=1497, rem=0, adj=47 USER MOD reduce.3.24.130724 removed 1498 hydrogens (22 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 191 GLC O2 : rot -33:sc= 0.0475 USER MOD Set 1.2: A 192 BGC O3 : rot -32:sc= 0 USER MOD Set 2.1: A 61 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 182 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 73 TYR OH : rot 12:sc= 0.387 USER MOD Set 3.2: A 168 CYS SG : rot 68:sc= 0.716 USER MOD Set 4.1: A 110 THR OG1 : rot -140:sc= 0 USER MOD Set 4.2: A 113 LYS NZ :NH3+ -179:sc= -0.369 (180deg=-0.369) USER MOD Set 5.1: A 93 TYR OH : rot 180:sc= 0 USER MOD Set 5.2: A 192 BGC O6 : rot -10:sc= 0.342 USER MOD Set 6.1: A 15 ASN : amide:sc= -0.697 X(o=0.52,f=0.16) USER MOD Set 6.2: A 63 THR OG1 : rot -84:sc= 1.21 USER MOD Set 7.1: A 58 GLN : amide:sc= -2.27! C(o=-3!,f=-3.3!) USER MOD Set 7.2: A 62 GLN : amide:sc= -0.732 K(o=-3,f=-2.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -44:sc=-0.00402 USER MOD Single : A 21 HIS : no HD1:sc= -0.0885 X(o=-0.088,f=-0.21) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HE2:sc= -0.8 K(o=-0.8,f=-2.2!) USER MOD Single : A 29 TYR OH : rot 180:sc= -2.05! USER MOD Single : A 31 LYS NZ :NH3+ 135:sc= 0.0602 (180deg=-0.184) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 133:sc= 0.703 USER MOD Single : A 54 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.34) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.784 K(o=-0.78,f=-2!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= -0.0369 (180deg=-0.17) USER MOD Single : A 83 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 88 LYS NZ :NH3+ -163:sc= -6.03! (180deg=-7!) USER MOD Single : A 96 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 97 SER OG : rot 180:sc= -0.519 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 GLN : amide:sc= -0.26 X(o=-0.26,f=-0.26) USER MOD Single : A 100 LYS NZ :NH3+ -168:sc= -0.0187 (180deg=-0.202) USER MOD Single : A 107 ASN : amide:sc= -4.61! C(o=-4.6!,f=-8.2!) USER MOD Single : A 109 HIS : no HE2:sc= 0.0124 K(o=0.012,f=-0.99) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 THR OG1 : rot -28:sc= 0.971 USER MOD Single : A 127 HIS : no HD1:sc= -0.0933 X(o=-0.093,f=-0.15) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 136 LYS NZ :NH3+ -122:sc= -0.0272 (180deg=-0.123) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 141 SER OG : rot 180:sc=-0.00488 USER MOD Single : A 143 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 147 SER OG : rot 30:sc= 0.161 USER MOD Single : A 148 THR OG1 : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 152 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 SER OG : rot 180:sc= 0 USER MOD Single : A 159 LYS NZ :NH3+ 162:sc= 1.19 (180deg=0.494) USER MOD Single : A 161 TYR OH : rot 180:sc= 0 USER MOD Single : A 162 TYR OH : rot 180:sc= 0 USER MOD Single : A 164 ASN : amide:sc= -0.0926 K(o=-0.093,f=-3.7!) USER MOD Single : A 166 LYS NZ :NH3+ -145:sc= -0.0468 (180deg=-1.47) USER MOD Single : A 173 MET CE :methyl 155:sc= -0.293 (180deg=-0.961) USER MOD Single : A 174 LYS NZ :NH3+ 180:sc= -0.0965 (180deg=-0.0965) USER MOD Single : A 176 THR OG1 : rot 180:sc= 0 USER MOD Single : A 184 GLN : amide:sc= -0.0683 X(o=-0.068,f=-0.029) USER MOD Single : A 186 HIS : no HE2:sc= 0.194 K(o=0.19,f=-2.1) USER MOD Single : A 191 GLC O3 : rot 180:sc= 0 USER MOD Single : A 191 GLC O4 : rot 180:sc= -0.316 USER MOD Single : A 191 GLC O6 : rot -11:sc= 0.273 USER MOD Single : A 192 BGC O1 : rot 180:sc= 0 USER MOD Single : A 192 BGC O2 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.164 -26.922 9.522 1.00 8.93 N ATOM 2 CA GLY A 1 9.719 -25.919 8.516 1.00 8.42 C ATOM 3 C GLY A 1 10.313 -24.547 8.764 1.00 7.62 C ATOM 4 O GLY A 1 9.690 -23.705 9.416 1.00 7.93 O ATOM 0 H1 GLY A 1 9.731 -27.843 9.309 1.00 8.93 H new ATOM 0 H2 GLY A 1 11.200 -27.011 9.489 1.00 8.93 H new ATOM 0 H3 GLY A 1 9.873 -26.614 10.472 1.00 8.93 H new ATOM 0 HA2 GLY A 1 10.001 -26.259 7.519 1.00 8.42 H new ATOM 0 HA3 GLY A 1 8.631 -25.849 8.533 1.00 8.42 H new ATOM 10 N ALA A 2 11.543 -24.324 8.235 1.00 6.82 N ATOM 11 CA ALA A 2 12.266 -23.037 8.384 1.00 6.18 C ATOM 12 C ALA A 2 12.400 -22.286 7.026 1.00 5.26 C ATOM 13 O ALA A 2 12.870 -22.841 6.015 1.00 5.28 O ATOM 14 CB ALA A 2 13.657 -23.264 9.037 1.00 6.51 C ATOM 0 H ALA A 2 12.056 -25.024 7.699 1.00 6.82 H new ATOM 0 HA ALA A 2 11.675 -22.402 9.044 1.00 6.18 H new ATOM 0 HB1 ALA A 2 14.172 -22.309 9.138 1.00 6.51 H new ATOM 0 HB2 ALA A 2 13.528 -23.712 10.022 1.00 6.51 H new ATOM 0 HB3 ALA A 2 14.249 -23.931 8.410 1.00 6.51 H new ATOM 20 N MET A 3 11.938 -21.017 7.014 1.00 4.80 N ATOM 21 CA MET A 3 11.989 -20.160 5.814 1.00 4.18 C ATOM 22 C MET A 3 12.392 -18.720 6.176 1.00 3.48 C ATOM 23 O MET A 3 11.661 -18.014 6.883 1.00 3.94 O ATOM 24 CB MET A 3 10.624 -20.146 5.089 1.00 4.96 C ATOM 25 CG MET A 3 10.281 -21.439 4.333 1.00 5.72 C ATOM 26 SD MET A 3 8.643 -21.383 3.578 1.00 6.64 S ATOM 27 CE MET A 3 8.561 -22.997 2.804 1.00 7.64 C ATOM 0 H MET A 3 11.524 -20.563 7.828 1.00 4.80 H new ATOM 0 HA MET A 3 12.743 -20.579 5.148 1.00 4.18 H new ATOM 0 HB2 MET A 3 9.841 -19.952 5.822 1.00 4.96 H new ATOM 0 HB3 MET A 3 10.612 -19.315 4.383 1.00 4.96 H new ATOM 0 HG2 MET A 3 11.029 -21.613 3.559 1.00 5.72 H new ATOM 0 HG3 MET A 3 10.332 -22.283 5.021 1.00 5.72 H new ATOM 0 HE1 MET A 3 7.603 -23.109 2.297 1.00 7.64 H new ATOM 0 HE2 MET A 3 9.369 -23.094 2.079 1.00 7.64 H new ATOM 0 HE3 MET A 3 8.661 -23.771 3.565 1.00 7.64 H new ATOM 37 N SER A 4 13.567 -18.297 5.677 1.00 2.65 N ATOM 38 CA SER A 4 14.098 -16.945 5.936 1.00 2.27 C ATOM 39 C SER A 4 14.635 -16.288 4.654 1.00 1.31 C ATOM 40 O SER A 4 15.585 -16.784 4.035 1.00 0.88 O ATOM 41 CB SER A 4 15.210 -16.993 6.995 1.00 2.95 C ATOM 42 OG SER A 4 14.675 -17.034 8.309 1.00 3.86 O ATOM 0 H SER A 4 14.170 -18.874 5.090 1.00 2.65 H new ATOM 0 HA SER A 4 13.270 -16.341 6.308 1.00 2.27 H new ATOM 0 HB2 SER A 4 15.835 -17.870 6.828 1.00 2.95 H new ATOM 0 HB3 SER A 4 15.852 -16.119 6.890 1.00 2.95 H new ATOM 0 HG SER A 4 15.407 -17.066 8.960 1.00 3.86 H new ATOM 48 N GLY A 5 14.014 -15.162 4.274 1.00 1.11 N ATOM 49 CA GLY A 5 14.422 -14.431 3.071 1.00 0.31 C ATOM 50 C GLY A 5 13.730 -13.083 2.897 1.00 0.28 C ATOM 51 O GLY A 5 14.403 -12.072 2.700 1.00 0.31 O ATOM 0 H GLY A 5 13.234 -14.742 4.779 1.00 1.11 H new ATOM 0 HA2 GLY A 5 15.500 -14.273 3.103 1.00 0.31 H new ATOM 0 HA3 GLY A 5 14.217 -15.048 2.197 1.00 0.31 H new ATOM 55 N LEU A 6 12.376 -13.067 2.965 1.00 0.23 N ATOM 56 CA LEU A 6 11.562 -11.829 2.833 1.00 0.22 C ATOM 57 C LEU A 6 11.401 -11.074 4.192 1.00 0.17 C ATOM 58 O LEU A 6 11.531 -9.839 4.258 1.00 0.16 O ATOM 59 CB LEU A 6 10.193 -12.204 2.217 1.00 0.24 C ATOM 60 CG LEU A 6 9.278 -11.039 1.746 1.00 0.27 C ATOM 61 CD1 LEU A 6 9.977 -10.061 0.796 1.00 0.33 C ATOM 62 CD2 LEU A 6 7.985 -11.533 1.086 1.00 0.35 C ATOM 0 H LEU A 6 11.817 -13.908 3.112 1.00 0.23 H new ATOM 0 HA LEU A 6 12.080 -11.133 2.174 1.00 0.22 H new ATOM 0 HB2 LEU A 6 10.375 -12.856 1.363 1.00 0.24 H new ATOM 0 HB3 LEU A 6 9.641 -12.789 2.953 1.00 0.24 H new ATOM 0 HG LEU A 6 9.030 -10.507 2.664 1.00 0.27 H new ATOM 0 HD11 LEU A 6 9.281 -9.274 0.507 1.00 0.33 H new ATOM 0 HD12 LEU A 6 10.837 -9.618 1.298 1.00 0.33 H new ATOM 0 HD13 LEU A 6 10.311 -10.594 -0.094 1.00 0.33 H new ATOM 0 HD21 LEU A 6 7.385 -10.678 0.777 1.00 0.35 H new ATOM 0 HD22 LEU A 6 8.230 -12.139 0.214 1.00 0.35 H new ATOM 0 HD23 LEU A 6 7.420 -12.134 1.798 1.00 0.35 H new ATOM 74 N ALA A 7 11.120 -11.861 5.272 1.00 0.17 N ATOM 75 CA ALA A 7 11.012 -11.389 6.695 1.00 0.16 C ATOM 76 C ALA A 7 12.344 -10.765 7.281 1.00 0.15 C ATOM 77 O ALA A 7 12.301 -9.960 8.223 1.00 0.15 O ATOM 78 CB ALA A 7 10.556 -12.578 7.571 1.00 0.20 C ATOM 0 H ALA A 7 10.958 -12.864 5.180 1.00 0.17 H new ATOM 0 HA ALA A 7 10.284 -10.578 6.707 1.00 0.16 H new ATOM 0 HB1 ALA A 7 10.472 -12.254 8.608 1.00 0.20 H new ATOM 0 HB2 ALA A 7 9.587 -12.936 7.223 1.00 0.20 H new ATOM 0 HB3 ALA A 7 11.287 -13.383 7.500 1.00 0.20 H new ATOM 84 N ASP A 8 13.526 -11.132 6.682 1.00 0.16 N ATOM 85 CA ASP A 8 14.856 -10.607 7.087 1.00 0.18 C ATOM 86 C ASP A 8 15.236 -9.257 6.392 1.00 0.17 C ATOM 87 O ASP A 8 16.199 -8.605 6.806 1.00 0.21 O ATOM 88 CB ASP A 8 15.945 -11.655 6.802 1.00 0.21 C ATOM 89 CG ASP A 8 16.317 -12.479 8.030 1.00 0.26 C ATOM 90 OD1 ASP A 8 17.230 -12.060 8.772 1.00 0.32 O ATOM 91 OD2 ASP A 8 15.693 -13.540 8.245 1.00 0.31 O ATOM 0 H ASP A 8 13.571 -11.797 5.910 1.00 0.16 H new ATOM 0 HA ASP A 8 14.790 -10.403 8.156 1.00 0.18 H new ATOM 0 HB2 ASP A 8 15.600 -12.324 6.014 1.00 0.21 H new ATOM 0 HB3 ASP A 8 16.836 -11.152 6.426 1.00 0.21 H new ATOM 96 N LYS A 9 14.469 -8.848 5.341 1.00 0.14 N ATOM 97 CA LYS A 9 14.724 -7.580 4.616 1.00 0.14 C ATOM 98 C LYS A 9 13.695 -6.465 4.952 1.00 0.10 C ATOM 99 O LYS A 9 14.014 -5.291 4.744 1.00 0.10 O ATOM 100 CB LYS A 9 14.788 -7.771 3.074 1.00 0.19 C ATOM 101 CG LYS A 9 15.330 -9.139 2.595 1.00 0.32 C ATOM 102 CD LYS A 9 16.817 -9.359 2.964 1.00 0.92 C ATOM 103 CE LYS A 9 17.368 -10.686 2.418 1.00 1.20 C ATOM 104 NZ LYS A 9 18.785 -10.898 2.822 1.00 1.73 N ATOM 0 H LYS A 9 13.675 -9.379 4.983 1.00 0.14 H new ATOM 0 HA LYS A 9 15.703 -7.258 4.970 1.00 0.14 H new ATOM 0 HB2 LYS A 9 13.786 -7.634 2.666 1.00 0.19 H new ATOM 0 HB3 LYS A 9 15.414 -6.984 2.653 1.00 0.19 H new ATOM 0 HG2 LYS A 9 14.730 -9.936 3.034 1.00 0.32 H new ATOM 0 HG3 LYS A 9 15.214 -9.212 1.514 1.00 0.32 H new ATOM 0 HD2 LYS A 9 17.411 -8.534 2.572 1.00 0.92 H new ATOM 0 HD3 LYS A 9 16.925 -9.343 4.048 1.00 0.92 H new ATOM 0 HE2 LYS A 9 16.757 -11.512 2.783 1.00 1.20 H new ATOM 0 HE3 LYS A 9 17.294 -10.691 1.331 1.00 1.20 H new ATOM 0 HZ1 LYS A 9 19.124 -11.802 2.437 1.00 1.73 H new ATOM 0 HZ2 LYS A 9 19.371 -10.122 2.452 1.00 1.73 H new ATOM 0 HZ3 LYS A 9 18.851 -10.918 3.860 1.00 1.73 H new ATOM 118 N VAL A 10 12.446 -6.814 5.448 1.00 0.09 N ATOM 119 CA VAL A 10 11.398 -5.800 5.862 1.00 0.07 C ATOM 120 C VAL A 10 11.875 -4.735 6.946 1.00 0.06 C ATOM 121 O VAL A 10 12.542 -5.073 7.933 1.00 0.09 O ATOM 122 CB VAL A 10 10.020 -6.550 6.265 1.00 0.08 C ATOM 123 CG1 VAL A 10 10.017 -7.307 7.638 1.00 0.11 C ATOM 124 CG2 VAL A 10 8.772 -5.618 6.179 1.00 0.10 C ATOM 0 H VAL A 10 12.147 -7.782 5.568 1.00 0.09 H new ATOM 0 HA VAL A 10 11.211 -5.181 4.985 1.00 0.07 H new ATOM 0 HB VAL A 10 9.955 -7.323 5.500 1.00 0.08 H new ATOM 0 HG11 VAL A 10 9.042 -7.768 7.797 1.00 0.11 H new ATOM 0 HG12 VAL A 10 10.787 -8.079 7.630 1.00 0.11 H new ATOM 0 HG13 VAL A 10 10.220 -6.601 8.443 1.00 0.11 H new ATOM 0 HG21 VAL A 10 7.880 -6.178 6.461 1.00 0.10 H new ATOM 0 HG22 VAL A 10 8.900 -4.774 6.857 1.00 0.10 H new ATOM 0 HG23 VAL A 10 8.662 -5.250 5.159 1.00 0.10 H new ATOM 134 N ILE A 11 11.511 -3.465 6.700 1.00 0.06 N ATOM 135 CA ILE A 11 11.843 -2.362 7.636 1.00 0.07 C ATOM 136 C ILE A 11 10.577 -1.620 8.126 1.00 0.07 C ATOM 137 O ILE A 11 10.570 -1.093 9.242 1.00 0.08 O ATOM 138 CB ILE A 11 12.863 -1.298 7.056 1.00 0.10 C ATOM 139 CG1 ILE A 11 12.503 -0.882 5.584 1.00 0.10 C ATOM 140 CG2 ILE A 11 14.338 -1.815 7.173 1.00 0.13 C ATOM 141 CD1 ILE A 11 12.662 0.616 5.275 1.00 0.16 C ATOM 0 H ILE A 11 10.992 -3.172 5.872 1.00 0.06 H new ATOM 0 HA ILE A 11 12.332 -2.863 8.471 1.00 0.07 H new ATOM 0 HB ILE A 11 12.780 -0.396 7.663 1.00 0.10 H new ATOM 0 HG12 ILE A 11 13.133 -1.448 4.898 1.00 0.10 H new ATOM 0 HG13 ILE A 11 11.472 -1.172 5.382 1.00 0.10 H new ATOM 0 HG21 ILE A 11 15.019 -1.067 6.768 1.00 0.13 H new ATOM 0 HG22 ILE A 11 14.578 -1.995 8.221 1.00 0.13 H new ATOM 0 HG23 ILE A 11 14.444 -2.743 6.612 1.00 0.13 H new ATOM 0 HD11 ILE A 11 12.390 0.804 4.236 1.00 0.16 H new ATOM 0 HD12 ILE A 11 12.011 1.194 5.931 1.00 0.16 H new ATOM 0 HD13 ILE A 11 13.698 0.913 5.439 1.00 0.16 H new ATOM 153 N TRP A 12 9.506 -1.590 7.289 1.00 0.06 N ATOM 154 CA TRP A 12 8.263 -0.885 7.631 1.00 0.07 C ATOM 155 C TRP A 12 7.085 -1.336 6.720 1.00 0.08 C ATOM 156 O TRP A 12 7.125 -1.156 5.515 1.00 0.10 O ATOM 157 CB TRP A 12 8.560 0.623 7.497 1.00 0.10 C ATOM 158 CG TRP A 12 7.507 1.552 8.018 1.00 0.09 C ATOM 159 CD1 TRP A 12 7.432 2.152 9.243 1.00 0.19 C ATOM 160 CD2 TRP A 12 6.395 2.001 7.279 1.00 0.22 C ATOM 161 NE1 TRP A 12 6.318 2.952 9.296 1.00 0.26 N ATOM 162 CE2 TRP A 12 5.664 2.869 8.091 1.00 0.30 C ATOM 163 CE3 TRP A 12 5.957 1.735 5.993 1.00 0.35 C ATOM 164 CZ2 TRP A 12 4.506 3.478 7.647 1.00 0.44 C ATOM 165 CZ3 TRP A 12 4.827 2.324 5.540 1.00 0.51 C ATOM 166 CH2 TRP A 12 4.094 3.198 6.359 1.00 0.54 C ATOM 0 H TRP A 12 9.488 -2.048 6.378 1.00 0.06 H new ATOM 0 HA TRP A 12 7.947 -1.118 8.648 1.00 0.07 H new ATOM 0 HB2 TRP A 12 9.493 0.836 8.018 1.00 0.10 H new ATOM 0 HB3 TRP A 12 8.725 0.848 6.443 1.00 0.10 H new ATOM 0 HD1 TRP A 12 8.141 2.017 10.047 1.00 0.19 H new ATOM 0 HE1 TRP A 12 6.025 3.514 10.096 1.00 0.26 H new ATOM 0 HE3 TRP A 12 6.513 1.063 5.357 1.00 0.35 H new ATOM 0 HZ2 TRP A 12 3.945 4.147 8.283 1.00 0.44 H new ATOM 0 HZ3 TRP A 12 4.484 2.120 4.536 1.00 0.51 H new ATOM 0 HH2 TRP A 12 3.195 3.658 5.976 1.00 0.54 H new ATOM 177 N ALA A 13 6.023 -1.951 7.308 1.00 0.09 N ATOM 178 CA ALA A 13 4.810 -2.386 6.535 1.00 0.12 C ATOM 179 C ALA A 13 3.522 -1.992 7.295 1.00 0.16 C ATOM 180 O ALA A 13 3.386 -2.270 8.498 1.00 0.19 O ATOM 181 CB ALA A 13 4.818 -3.905 6.209 1.00 0.14 C ATOM 0 H ALA A 13 5.975 -2.159 8.305 1.00 0.09 H new ATOM 0 HA ALA A 13 4.835 -1.865 5.578 1.00 0.12 H new ATOM 0 HB1 ALA A 13 3.918 -4.162 5.650 1.00 0.14 H new ATOM 0 HB2 ALA A 13 5.697 -4.144 5.611 1.00 0.14 H new ATOM 0 HB3 ALA A 13 4.844 -4.476 7.137 1.00 0.14 H new ATOM 187 N VAL A 14 2.574 -1.311 6.594 1.00 0.20 N ATOM 188 CA VAL A 14 1.317 -0.819 7.247 1.00 0.26 C ATOM 189 C VAL A 14 0.036 -1.039 6.367 1.00 0.27 C ATOM 190 O VAL A 14 0.001 -0.708 5.180 1.00 0.28 O ATOM 191 CB VAL A 14 1.453 0.749 7.702 1.00 0.34 C ATOM 192 CG1 VAL A 14 0.153 1.426 8.206 1.00 0.80 C ATOM 193 CG2 VAL A 14 2.462 0.957 8.842 1.00 1.05 C ATOM 0 H VAL A 14 2.647 -1.092 5.601 1.00 0.20 H new ATOM 0 HA VAL A 14 1.186 -1.428 8.142 1.00 0.26 H new ATOM 0 HB VAL A 14 1.768 1.206 6.764 1.00 0.34 H new ATOM 0 HG11 VAL A 14 0.363 2.460 8.479 1.00 0.80 H new ATOM 0 HG12 VAL A 14 -0.598 1.405 7.416 1.00 0.80 H new ATOM 0 HG13 VAL A 14 -0.222 0.890 9.078 1.00 0.80 H new ATOM 0 HG21 VAL A 14 2.508 2.015 9.099 1.00 1.05 H new ATOM 0 HG22 VAL A 14 2.148 0.385 9.715 1.00 1.05 H new ATOM 0 HG23 VAL A 14 3.447 0.618 8.522 1.00 1.05 H new ATOM 203 N ASN A 15 -1.027 -1.567 7.028 1.00 0.33 N ATOM 204 CA ASN A 15 -2.365 -1.688 6.403 1.00 0.43 C ATOM 205 C ASN A 15 -3.342 -0.841 7.253 1.00 0.46 C ATOM 206 O ASN A 15 -3.652 -1.194 8.399 1.00 0.55 O ATOM 207 CB ASN A 15 -2.864 -3.169 6.218 1.00 0.56 C ATOM 208 CG ASN A 15 -4.068 -3.351 5.274 1.00 1.40 C ATOM 209 OD1 ASN A 15 -4.808 -4.320 5.400 1.00 2.05 O ATOM 210 ND2 ASN A 15 -4.291 -2.415 4.366 1.00 2.11 N ATOM 0 H ASN A 15 -0.982 -1.913 7.987 1.00 0.33 H new ATOM 0 HA ASN A 15 -2.311 -1.314 5.381 1.00 0.43 H new ATOM 0 HB2 ASN A 15 -2.035 -3.769 5.841 1.00 0.56 H new ATOM 0 HB3 ASN A 15 -3.128 -3.570 7.197 1.00 0.56 H new ATOM 0 HD21 ASN A 15 -5.098 -2.488 3.746 1.00 2.11 H new ATOM 0 HD22 ASN A 15 -3.656 -1.620 4.286 1.00 2.11 H new ATOM 217 N ALA A 16 -3.829 0.284 6.665 1.00 0.47 N ATOM 218 CA ALA A 16 -4.771 1.208 7.344 1.00 0.54 C ATOM 219 C ALA A 16 -6.232 0.688 7.265 1.00 0.58 C ATOM 220 O ALA A 16 -6.907 0.742 6.212 1.00 0.63 O ATOM 221 CB ALA A 16 -4.627 2.643 6.774 1.00 0.59 C ATOM 0 H ALA A 16 -3.582 0.572 5.718 1.00 0.47 H new ATOM 0 HA ALA A 16 -4.513 1.247 8.402 1.00 0.54 H new ATOM 0 HB1 ALA A 16 -5.325 3.308 7.283 1.00 0.59 H new ATOM 0 HB2 ALA A 16 -3.608 2.997 6.932 1.00 0.59 H new ATOM 0 HB3 ALA A 16 -4.847 2.634 5.706 1.00 0.59 H new ATOM 227 N GLY A 17 -6.654 0.110 8.403 1.00 0.58 N ATOM 228 CA GLY A 17 -7.987 -0.467 8.520 1.00 0.61 C ATOM 229 C GLY A 17 -8.246 -1.298 9.764 1.00 0.62 C ATOM 230 O GLY A 17 -9.372 -1.309 10.267 1.00 0.71 O ATOM 0 H GLY A 17 -6.087 0.034 9.247 1.00 0.58 H new ATOM 0 HA2 GLY A 17 -8.716 0.343 8.490 1.00 0.61 H new ATOM 0 HA3 GLY A 17 -8.169 -1.092 7.646 1.00 0.61 H new ATOM 234 N GLY A 18 -7.216 -1.985 10.270 1.00 0.72 N ATOM 235 CA GLY A 18 -7.409 -2.852 11.426 1.00 0.73 C ATOM 236 C GLY A 18 -6.339 -2.728 12.496 1.00 0.68 C ATOM 237 O GLY A 18 -6.033 -1.622 12.956 1.00 0.80 O ATOM 0 H GLY A 18 -6.264 -1.957 9.905 1.00 0.72 H new ATOM 0 HA2 GLY A 18 -8.378 -2.629 11.873 1.00 0.73 H new ATOM 0 HA3 GLY A 18 -7.445 -3.887 11.085 1.00 0.73 H new ATOM 241 N GLU A 19 -5.769 -3.881 12.898 1.00 0.59 N ATOM 242 CA GLU A 19 -4.734 -3.915 13.928 1.00 0.60 C ATOM 243 C GLU A 19 -3.783 -5.100 13.723 1.00 0.54 C ATOM 244 O GLU A 19 -4.191 -6.259 13.848 1.00 0.65 O ATOM 245 CB GLU A 19 -5.355 -4.024 15.340 1.00 0.77 C ATOM 246 CG GLU A 19 -6.016 -2.747 15.881 1.00 1.43 C ATOM 247 CD GLU A 19 -6.613 -2.949 17.261 1.00 1.39 C ATOM 248 OE1 GLU A 19 -7.319 -3.960 17.463 1.00 1.50 O ATOM 249 OE2 GLU A 19 -6.376 -2.095 18.141 1.00 1.63 O ATOM 0 H GLU A 19 -6.014 -4.796 12.520 1.00 0.59 H new ATOM 0 HA GLU A 19 -4.177 -2.982 13.844 1.00 0.60 H new ATOM 0 HB2 GLU A 19 -6.101 -4.819 15.328 1.00 0.77 H new ATOM 0 HB3 GLU A 19 -4.575 -4.330 16.037 1.00 0.77 H new ATOM 0 HG2 GLU A 19 -5.277 -1.947 15.921 1.00 1.43 H new ATOM 0 HG3 GLU A 19 -6.798 -2.425 15.193 1.00 1.43 H new ATOM 256 N SER A 20 -2.497 -4.753 13.435 1.00 0.48 N ATOM 257 CA SER A 20 -1.303 -5.664 13.223 1.00 0.45 C ATOM 258 C SER A 20 -1.498 -7.099 12.593 1.00 0.43 C ATOM 259 O SER A 20 -2.126 -7.964 13.213 1.00 0.51 O ATOM 260 CB SER A 20 -0.565 -5.827 14.557 1.00 0.52 C ATOM 261 OG SER A 20 0.337 -4.756 14.786 1.00 1.00 O ATOM 0 H SER A 20 -2.235 -3.772 13.336 1.00 0.48 H new ATOM 0 HA SER A 20 -0.755 -5.135 12.443 1.00 0.45 H new ATOM 0 HB2 SER A 20 -1.289 -5.875 15.371 1.00 0.52 H new ATOM 0 HB3 SER A 20 -0.019 -6.771 14.559 1.00 0.52 H new ATOM 0 HG SER A 20 0.831 -4.563 13.962 1.00 1.00 H new ATOM 267 N HIS A 21 -0.921 -7.361 11.388 1.00 0.39 N ATOM 268 CA HIS A 21 -1.025 -8.722 10.769 1.00 0.40 C ATOM 269 C HIS A 21 0.291 -9.180 10.124 1.00 0.40 C ATOM 270 O HIS A 21 0.959 -8.442 9.414 1.00 0.41 O ATOM 271 CB HIS A 21 -2.184 -8.842 9.723 1.00 0.43 C ATOM 272 CG HIS A 21 -2.285 -10.186 8.994 1.00 0.41 C ATOM 273 ND1 HIS A 21 -3.030 -11.247 9.451 1.00 0.39 N ATOM 274 CD2 HIS A 21 -1.696 -10.642 7.843 1.00 0.45 C ATOM 275 CE1 HIS A 21 -2.878 -12.266 8.617 1.00 0.40 C ATOM 276 NE2 HIS A 21 -2.082 -11.917 7.656 1.00 0.43 N ATOM 0 H HIS A 21 -0.397 -6.679 10.839 1.00 0.39 H new ATOM 0 HA HIS A 21 -1.256 -9.382 11.605 1.00 0.40 H new ATOM 0 HB2 HIS A 21 -3.129 -8.654 10.232 1.00 0.43 H new ATOM 0 HB3 HIS A 21 -2.060 -8.055 8.979 1.00 0.43 H new ATOM 0 HD2 HIS A 21 -1.038 -10.077 7.200 1.00 0.45 H new ATOM 0 HE1 HIS A 21 -3.344 -13.235 8.722 1.00 0.40 H new ATOM 0 HE2 HIS A 21 -1.794 -12.514 6.881 1.00 0.43 H new ATOM 285 N VAL A 22 0.583 -10.466 10.337 1.00 0.41 N ATOM 286 CA VAL A 22 1.772 -11.150 9.764 1.00 0.43 C ATOM 287 C VAL A 22 1.328 -12.120 8.652 1.00 0.44 C ATOM 288 O VAL A 22 0.603 -13.091 8.907 1.00 0.48 O ATOM 289 CB VAL A 22 2.702 -11.992 10.755 1.00 0.49 C ATOM 290 CG1 VAL A 22 4.127 -11.427 10.849 1.00 1.38 C ATOM 291 CG2 VAL A 22 2.165 -12.215 12.194 1.00 1.39 C ATOM 0 H VAL A 22 0.004 -11.076 10.914 1.00 0.41 H new ATOM 0 HA VAL A 22 2.381 -10.313 9.423 1.00 0.43 H new ATOM 0 HB VAL A 22 2.702 -12.971 10.275 1.00 0.49 H new ATOM 0 HG11 VAL A 22 4.715 -12.036 11.535 1.00 1.38 H new ATOM 0 HG12 VAL A 22 4.590 -11.441 9.862 1.00 1.38 H new ATOM 0 HG13 VAL A 22 4.088 -10.402 11.217 1.00 1.38 H new ATOM 0 HG21 VAL A 22 2.887 -12.799 12.765 1.00 1.39 H new ATOM 0 HG22 VAL A 22 2.013 -11.251 12.679 1.00 1.39 H new ATOM 0 HG23 VAL A 22 1.218 -12.752 12.150 1.00 1.39 H new ATOM 301 N ASP A 23 1.790 -11.844 7.421 1.00 0.41 N ATOM 302 CA ASP A 23 1.472 -12.697 6.240 1.00 0.44 C ATOM 303 C ASP A 23 2.423 -13.937 6.131 1.00 0.43 C ATOM 304 O ASP A 23 3.490 -13.945 6.756 1.00 0.41 O ATOM 305 CB ASP A 23 1.366 -11.833 4.909 1.00 0.49 C ATOM 306 CG ASP A 23 2.663 -11.397 4.180 1.00 1.04 C ATOM 307 OD1 ASP A 23 3.698 -12.068 4.384 1.00 1.46 O ATOM 308 OD2 ASP A 23 2.641 -10.391 3.440 1.00 1.85 O ATOM 0 H ASP A 23 2.383 -11.042 7.208 1.00 0.41 H new ATOM 0 HA ASP A 23 0.480 -13.123 6.391 1.00 0.44 H new ATOM 0 HB2 ASP A 23 0.766 -12.400 4.198 1.00 0.49 H new ATOM 0 HB3 ASP A 23 0.806 -10.929 5.149 1.00 0.49 H new ATOM 313 N VAL A 24 2.017 -14.916 5.262 1.00 0.47 N ATOM 314 CA VAL A 24 2.711 -16.273 4.996 1.00 0.50 C ATOM 315 C VAL A 24 4.271 -16.319 4.849 1.00 0.47 C ATOM 316 O VAL A 24 4.876 -17.345 5.174 1.00 0.51 O ATOM 317 CB VAL A 24 2.101 -17.102 3.760 1.00 0.57 C ATOM 318 CG1 VAL A 24 0.959 -18.032 4.198 1.00 0.72 C ATOM 319 CG2 VAL A 24 1.607 -16.244 2.551 1.00 0.58 C ATOM 0 H VAL A 24 1.175 -14.804 4.698 1.00 0.47 H new ATOM 0 HA VAL A 24 2.478 -16.735 5.955 1.00 0.50 H new ATOM 0 HB VAL A 24 2.956 -17.679 3.408 1.00 0.57 H new ATOM 0 HG11 VAL A 24 0.577 -18.572 3.332 1.00 0.72 H new ATOM 0 HG12 VAL A 24 1.332 -18.744 4.934 1.00 0.72 H new ATOM 0 HG13 VAL A 24 0.157 -17.440 4.639 1.00 0.72 H new ATOM 0 HG21 VAL A 24 1.215 -16.901 1.774 1.00 0.58 H new ATOM 0 HG22 VAL A 24 0.821 -15.566 2.883 1.00 0.58 H new ATOM 0 HG23 VAL A 24 2.440 -15.666 2.151 1.00 0.58 H new ATOM 329 N HIS A 25 4.898 -15.234 4.372 1.00 0.42 N ATOM 330 CA HIS A 25 6.376 -15.161 4.248 1.00 0.40 C ATOM 331 C HIS A 25 7.031 -14.512 5.512 1.00 0.36 C ATOM 332 O HIS A 25 8.242 -14.610 5.718 1.00 0.39 O ATOM 333 CB HIS A 25 6.770 -14.366 2.993 1.00 0.38 C ATOM 334 CG HIS A 25 6.057 -14.785 1.733 1.00 0.42 C ATOM 335 ND1 HIS A 25 6.462 -15.850 0.956 1.00 0.45 N ATOM 336 CD2 HIS A 25 4.958 -14.274 1.122 1.00 0.48 C ATOM 337 CE1 HIS A 25 5.646 -15.973 -0.078 1.00 0.49 C ATOM 338 NE2 HIS A 25 4.726 -15.031 0.001 1.00 0.51 N ATOM 0 H HIS A 25 4.412 -14.392 4.064 1.00 0.42 H new ATOM 0 HA HIS A 25 6.747 -16.182 4.161 1.00 0.40 H new ATOM 0 HB2 HIS A 25 6.572 -13.309 3.172 1.00 0.38 H new ATOM 0 HB3 HIS A 25 7.844 -14.467 2.837 1.00 0.38 H new ATOM 0 HD2 HIS A 25 4.375 -13.429 1.456 1.00 0.48 H new ATOM 0 HE1 HIS A 25 5.721 -16.719 -0.856 1.00 0.49 H new ATOM 0 HE2 HIS A 25 3.965 -14.888 -0.663 1.00 0.51 H new ATOM 347 N GLY A 26 6.179 -13.856 6.341 1.00 0.34 N ATOM 348 CA GLY A 26 6.577 -13.201 7.578 1.00 0.32 C ATOM 349 C GLY A 26 6.606 -11.676 7.505 1.00 0.27 C ATOM 350 O GLY A 26 7.528 -11.048 8.027 1.00 0.26 O ATOM 0 H GLY A 26 5.180 -13.776 6.149 1.00 0.34 H new ATOM 0 HA2 GLY A 26 5.891 -13.501 8.370 1.00 0.32 H new ATOM 0 HA3 GLY A 26 7.567 -13.558 7.861 1.00 0.32 H new ATOM 354 N ILE A 27 5.576 -11.080 6.866 1.00 0.26 N ATOM 355 CA ILE A 27 5.490 -9.604 6.734 1.00 0.23 C ATOM 356 C ILE A 27 4.393 -9.053 7.713 1.00 0.26 C ATOM 357 O ILE A 27 3.212 -9.366 7.585 1.00 0.33 O ATOM 358 CB ILE A 27 5.307 -9.183 5.192 1.00 0.22 C ATOM 359 CG1 ILE A 27 6.570 -9.523 4.297 1.00 0.18 C ATOM 360 CG2 ILE A 27 4.925 -7.687 4.918 1.00 0.26 C ATOM 361 CD1 ILE A 27 7.971 -9.162 4.810 1.00 0.55 C ATOM 0 H ILE A 27 4.801 -11.587 6.438 1.00 0.26 H new ATOM 0 HA ILE A 27 6.424 -9.131 7.039 1.00 0.23 H new ATOM 0 HB ILE A 27 4.451 -9.796 4.911 1.00 0.22 H new ATOM 0 HG12 ILE A 27 6.557 -10.596 4.106 1.00 0.18 H new ATOM 0 HG13 ILE A 27 6.434 -9.026 3.336 1.00 0.18 H new ATOM 0 HG21 ILE A 27 4.830 -7.527 3.844 1.00 0.26 H new ATOM 0 HG22 ILE A 27 3.976 -7.459 5.404 1.00 0.26 H new ATOM 0 HG23 ILE A 27 5.702 -7.034 5.315 1.00 0.26 H new ATOM 0 HD11 ILE A 27 8.717 -9.464 4.075 1.00 0.55 H new ATOM 0 HD12 ILE A 27 8.034 -8.086 4.969 1.00 0.55 H new ATOM 0 HD13 ILE A 27 8.159 -9.680 5.751 1.00 0.55 H new ATOM 373 N HIS A 28 4.824 -8.173 8.630 1.00 0.25 N ATOM 374 CA HIS A 28 3.948 -7.609 9.677 1.00 0.30 C ATOM 375 C HIS A 28 3.505 -6.147 9.434 1.00 0.28 C ATOM 376 O HIS A 28 4.332 -5.255 9.230 1.00 0.28 O ATOM 377 CB HIS A 28 4.710 -7.677 11.002 1.00 0.40 C ATOM 378 CG HIS A 28 3.873 -7.777 12.256 1.00 0.63 C ATOM 379 ND1 HIS A 28 4.044 -8.780 13.186 1.00 0.93 N ATOM 380 CD2 HIS A 28 2.878 -6.993 12.738 1.00 0.96 C ATOM 381 CE1 HIS A 28 3.193 -8.611 14.180 1.00 1.30 C ATOM 382 NE2 HIS A 28 2.474 -7.534 13.934 1.00 1.34 N ATOM 0 H HIS A 28 5.784 -7.832 8.670 1.00 0.25 H new ATOM 0 HA HIS A 28 3.032 -8.200 9.677 1.00 0.30 H new ATOM 0 HB2 HIS A 28 5.378 -8.538 10.968 1.00 0.40 H new ATOM 0 HB3 HIS A 28 5.338 -6.789 11.081 1.00 0.40 H new ATOM 0 HD1 HIS A 28 4.724 -9.537 13.116 1.00 0.93 H new ATOM 0 HD2 HIS A 28 2.477 -6.107 12.268 1.00 0.96 H new ATOM 0 HE1 HIS A 28 3.101 -9.247 15.048 1.00 1.30 H new ATOM 391 N TYR A 29 2.170 -5.927 9.511 1.00 0.33 N ATOM 392 CA TYR A 29 1.558 -4.576 9.375 1.00 0.38 C ATOM 393 C TYR A 29 1.263 -3.967 10.769 1.00 0.45 C ATOM 394 O TYR A 29 0.945 -4.699 11.710 1.00 0.46 O ATOM 395 CB TYR A 29 0.302 -4.643 8.409 1.00 0.45 C ATOM 396 CG TYR A 29 -1.167 -4.661 8.965 1.00 0.98 C ATOM 397 CD1 TYR A 29 -1.554 -3.750 9.944 1.00 1.31 C ATOM 398 CD2 TYR A 29 -2.131 -5.598 8.583 1.00 1.34 C ATOM 399 CE1 TYR A 29 -2.814 -3.744 10.498 1.00 1.91 C ATOM 400 CE2 TYR A 29 -3.404 -5.599 9.146 1.00 1.91 C ATOM 401 CZ TYR A 29 -3.838 -4.724 9.810 1.00 2.21 C ATOM 402 OH TYR A 29 -4.968 -4.646 10.678 1.00 2.79 O ATOM 0 H TYR A 29 1.490 -6.671 9.668 1.00 0.33 H new ATOM 0 HA TYR A 29 2.262 -3.890 8.904 1.00 0.38 H new ATOM 0 HB2 TYR A 29 0.375 -3.788 7.737 1.00 0.45 H new ATOM 0 HB3 TYR A 29 0.420 -5.539 7.799 1.00 0.45 H new ATOM 0 HD1 TYR A 29 -0.836 -3.018 10.283 1.00 1.31 H new ATOM 0 HD2 TYR A 29 -1.883 -6.337 7.835 1.00 1.34 H new ATOM 0 HE1 TYR A 29 -3.079 -3.118 11.337 1.00 1.91 H new ATOM 0 HE2 TYR A 29 -4.036 -6.456 8.964 1.00 1.91 H new ATOM 0 HH TYR A 29 -5.681 -5.227 10.340 1.00 2.79 H new ATOM 412 N ARG A 30 1.347 -2.618 10.887 1.00 0.54 N ATOM 413 CA ARG A 30 1.103 -1.936 12.184 1.00 0.63 C ATOM 414 C ARG A 30 -0.342 -1.392 12.338 1.00 0.91 C ATOM 415 O ARG A 30 -1.115 -1.273 11.383 1.00 1.87 O ATOM 416 CB ARG A 30 2.129 -0.808 12.459 1.00 0.72 C ATOM 417 CG ARG A 30 3.599 -1.198 12.192 1.00 0.68 C ATOM 418 CD ARG A 30 4.585 -0.069 12.533 1.00 0.87 C ATOM 419 NE ARG A 30 5.970 -0.480 12.311 1.00 1.70 N ATOM 420 CZ ARG A 30 7.025 0.243 12.679 1.00 2.08 C ATOM 421 NH1 ARG A 30 6.858 1.418 13.273 1.00 1.93 N ATOM 422 NH2 ARG A 30 8.251 -0.209 12.453 1.00 3.00 N ATOM 0 H ARG A 30 1.577 -1.991 10.116 1.00 0.54 H new ATOM 0 HA ARG A 30 1.235 -2.716 12.934 1.00 0.63 H new ATOM 0 HB2 ARG A 30 1.877 0.053 11.840 1.00 0.72 H new ATOM 0 HB3 ARG A 30 2.033 -0.493 13.498 1.00 0.72 H new ATOM 0 HG2 ARG A 30 3.848 -2.082 12.779 1.00 0.68 H new ATOM 0 HG3 ARG A 30 3.713 -1.470 11.143 1.00 0.68 H new ATOM 0 HD2 ARG A 30 4.362 0.806 11.923 1.00 0.87 H new ATOM 0 HD3 ARG A 30 4.455 0.227 13.574 1.00 0.87 H new ATOM 0 HE ARG A 30 6.138 -1.373 11.847 1.00 1.70 H new ATOM 0 HH11 ARG A 30 5.917 1.771 13.450 1.00 1.93 H new ATOM 0 HH12 ARG A 30 7.670 1.968 13.553 1.00 1.93 H new ATOM 0 HH21 ARG A 30 8.386 -1.111 11.997 1.00 3.00 H new ATOM 0 HH22 ARG A 30 9.059 0.346 12.735 1.00 3.00 H new ATOM 436 N LYS A 31 -0.634 -1.004 13.578 1.00 0.57 N ATOM 437 CA LYS A 31 -1.966 -0.551 14.042 1.00 0.59 C ATOM 438 C LYS A 31 -2.308 0.941 13.803 1.00 0.64 C ATOM 439 O LYS A 31 -1.883 1.813 14.567 1.00 0.79 O ATOM 440 CB LYS A 31 -2.062 -0.851 15.552 1.00 0.73 C ATOM 441 CG LYS A 31 -1.731 -2.316 15.948 1.00 1.15 C ATOM 442 CD LYS A 31 -1.153 -2.456 17.381 1.00 1.44 C ATOM 443 CE LYS A 31 -2.146 -2.014 18.472 1.00 1.70 C ATOM 444 NZ LYS A 31 -3.439 -2.744 18.372 1.00 2.30 N ATOM 0 H LYS A 31 0.066 -0.992 14.320 1.00 0.57 H new ATOM 0 HA LYS A 31 -2.692 -1.096 13.439 1.00 0.59 H new ATOM 0 HB2 LYS A 31 -1.384 -0.184 16.084 1.00 0.73 H new ATOM 0 HB3 LYS A 31 -3.071 -0.617 15.891 1.00 0.73 H new ATOM 0 HG2 LYS A 31 -2.636 -2.918 15.870 1.00 1.15 H new ATOM 0 HG3 LYS A 31 -1.015 -2.723 15.235 1.00 1.15 H new ATOM 0 HD2 LYS A 31 -0.870 -3.494 17.553 1.00 1.44 H new ATOM 0 HD3 LYS A 31 -0.244 -1.860 17.461 1.00 1.44 H new ATOM 0 HE2 LYS A 31 -1.707 -2.186 19.455 1.00 1.70 H new ATOM 0 HE3 LYS A 31 -2.326 -0.942 18.387 1.00 1.70 H new ATOM 0 HZ1 LYS A 31 -3.736 -3.056 19.319 1.00 2.30 H new ATOM 0 HZ2 LYS A 31 -4.163 -2.114 17.972 1.00 2.30 H new ATOM 0 HZ3 LYS A 31 -3.323 -3.573 17.755 1.00 2.30 H new ATOM 458 N ASP A 32 -3.112 1.181 12.713 1.00 0.61 N ATOM 459 CA ASP A 32 -3.680 2.531 12.229 1.00 0.72 C ATOM 460 C ASP A 32 -2.844 3.833 12.555 1.00 0.75 C ATOM 461 O ASP A 32 -3.384 4.777 13.122 1.00 1.00 O ATOM 462 CB ASP A 32 -5.106 2.705 12.821 1.00 0.86 C ATOM 463 CG ASP A 32 -6.171 1.804 12.193 1.00 0.95 C ATOM 464 OD1 ASP A 32 -5.799 0.904 11.409 1.00 1.01 O ATOM 465 OD2 ASP A 32 -7.371 2.007 12.476 1.00 1.17 O ATOM 0 H ASP A 32 -3.407 0.416 12.107 1.00 0.61 H new ATOM 0 HA ASP A 32 -3.655 2.458 11.142 1.00 0.72 H new ATOM 0 HB2 ASP A 32 -5.067 2.507 13.892 1.00 0.86 H new ATOM 0 HB3 ASP A 32 -5.411 3.744 12.700 1.00 0.86 H new ATOM 470 N PRO A 33 -1.547 3.922 12.139 1.00 0.59 N ATOM 471 CA PRO A 33 -0.645 5.054 12.506 1.00 0.66 C ATOM 472 C PRO A 33 -0.500 6.277 11.534 1.00 0.83 C ATOM 473 O PRO A 33 0.457 6.370 10.754 1.00 1.45 O ATOM 474 CB PRO A 33 0.681 4.291 12.606 1.00 0.59 C ATOM 475 CG PRO A 33 0.624 3.374 11.411 1.00 0.57 C ATOM 476 CD PRO A 33 -0.841 2.940 11.294 1.00 0.49 C ATOM 0 HA PRO A 33 -1.032 5.575 13.382 1.00 0.66 H new ATOM 0 HB2 PRO A 33 1.539 4.962 12.562 1.00 0.59 H new ATOM 0 HB3 PRO A 33 0.759 3.735 13.540 1.00 0.59 H new ATOM 0 HG2 PRO A 33 0.954 3.887 10.508 1.00 0.57 H new ATOM 0 HG3 PRO A 33 1.278 2.513 11.546 1.00 0.57 H new ATOM 0 HD2 PRO A 33 -1.190 2.971 10.262 1.00 0.49 H new ATOM 0 HD3 PRO A 33 -0.990 1.921 11.650 1.00 0.49 H new ATOM 484 N LEU A 34 -1.467 7.197 11.605 1.00 0.72 N ATOM 485 CA LEU A 34 -1.431 8.482 10.853 1.00 0.91 C ATOM 486 C LEU A 34 -2.221 9.563 11.619 1.00 1.43 C ATOM 487 O LEU A 34 -1.624 10.389 12.315 1.00 1.91 O ATOM 488 CB LEU A 34 -1.945 8.461 9.366 1.00 1.02 C ATOM 489 CG LEU A 34 -2.389 7.135 8.699 1.00 0.88 C ATOM 490 CD1 LEU A 34 -3.738 6.652 9.210 1.00 1.67 C ATOM 491 CD2 LEU A 34 -2.500 7.310 7.193 1.00 1.33 C ATOM 0 H LEU A 34 -2.301 7.084 12.181 1.00 0.72 H new ATOM 0 HA LEU A 34 -0.365 8.699 10.783 1.00 0.91 H new ATOM 0 HB2 LEU A 34 -2.790 9.147 9.310 1.00 1.02 H new ATOM 0 HB3 LEU A 34 -1.152 8.881 8.747 1.00 1.02 H new ATOM 0 HG LEU A 34 -1.628 6.397 8.952 1.00 0.88 H new ATOM 0 HD11 LEU A 34 -4.003 5.720 8.711 1.00 1.67 H new ATOM 0 HD12 LEU A 34 -3.681 6.485 10.286 1.00 1.67 H new ATOM 0 HD13 LEU A 34 -4.498 7.405 9.000 1.00 1.67 H new ATOM 0 HD21 LEU A 34 -2.813 6.369 6.739 1.00 1.33 H new ATOM 0 HD22 LEU A 34 -3.236 8.083 6.970 1.00 1.33 H new ATOM 0 HD23 LEU A 34 -1.531 7.603 6.788 1.00 1.33 H new ATOM 503 N GLU A 35 -3.569 9.553 11.483 1.00 1.77 N ATOM 504 CA GLU A 35 -4.446 10.523 12.157 1.00 2.54 C ATOM 505 C GLU A 35 -5.796 9.874 12.510 1.00 2.66 C ATOM 506 O GLU A 35 -6.555 9.463 11.624 1.00 3.33 O ATOM 507 CB GLU A 35 -4.615 11.788 11.274 1.00 3.34 C ATOM 508 CG GLU A 35 -5.388 11.600 9.956 1.00 3.49 C ATOM 509 CD GLU A 35 -5.668 12.921 9.262 1.00 4.38 C ATOM 510 OE1 GLU A 35 -4.713 13.700 9.058 1.00 4.80 O ATOM 511 OE2 GLU A 35 -6.842 13.175 8.924 1.00 4.84 O ATOM 0 H GLU A 35 -4.069 8.876 10.907 1.00 1.77 H new ATOM 0 HA GLU A 35 -3.987 10.836 13.095 1.00 2.54 H new ATOM 0 HB2 GLU A 35 -5.123 12.551 11.863 1.00 3.34 H new ATOM 0 HB3 GLU A 35 -3.624 12.175 11.037 1.00 3.34 H new ATOM 0 HG2 GLU A 35 -4.815 10.956 9.289 1.00 3.49 H new ATOM 0 HG3 GLU A 35 -6.330 11.091 10.159 1.00 3.49 H new ATOM 518 N GLY A 36 -6.089 9.784 13.818 1.00 2.22 N ATOM 519 CA GLY A 36 -7.327 9.128 14.267 1.00 2.37 C ATOM 520 C GLY A 36 -7.099 7.790 15.006 1.00 1.99 C ATOM 521 O GLY A 36 -8.064 7.087 15.307 1.00 2.30 O ATOM 0 H GLY A 36 -5.501 10.148 14.567 1.00 2.22 H new ATOM 0 HA2 GLY A 36 -7.867 9.807 14.926 1.00 2.37 H new ATOM 0 HA3 GLY A 36 -7.965 8.949 13.402 1.00 2.37 H new ATOM 525 N ARG A 37 -5.800 7.438 15.259 1.00 1.73 N ATOM 526 CA ARG A 37 -5.343 6.176 15.904 1.00 2.21 C ATOM 527 C ARG A 37 -5.617 6.044 17.442 1.00 2.05 C ATOM 528 O ARG A 37 -4.696 5.969 18.262 1.00 2.64 O ATOM 529 CB ARG A 37 -3.825 5.987 15.601 1.00 3.16 C ATOM 530 CG ARG A 37 -2.878 7.133 16.080 1.00 3.40 C ATOM 531 CD ARG A 37 -2.591 8.199 14.995 1.00 3.20 C ATOM 532 NE ARG A 37 -1.624 9.202 15.457 1.00 3.69 N ATOM 533 CZ ARG A 37 -1.950 10.334 16.090 1.00 3.94 C ATOM 534 NH1 ARG A 37 -3.217 10.606 16.381 1.00 3.94 N ATOM 535 NH2 ARG A 37 -1.000 11.188 16.446 1.00 4.50 N ATOM 0 H ARG A 37 -5.022 8.048 15.009 1.00 1.73 H new ATOM 0 HA ARG A 37 -5.950 5.383 15.467 1.00 2.21 H new ATOM 0 HB2 ARG A 37 -3.497 5.056 16.063 1.00 3.16 H new ATOM 0 HB3 ARG A 37 -3.703 5.869 14.524 1.00 3.16 H new ATOM 0 HG2 ARG A 37 -3.323 7.621 16.947 1.00 3.40 H new ATOM 0 HG3 ARG A 37 -1.934 6.698 16.408 1.00 3.40 H new ATOM 0 HD2 ARG A 37 -2.208 7.711 14.099 1.00 3.20 H new ATOM 0 HD3 ARG A 37 -3.522 8.693 14.716 1.00 3.20 H new ATOM 0 HE ARG A 37 -0.635 9.023 15.283 1.00 3.69 H new ATOM 0 HH11 ARG A 37 -3.952 9.949 16.121 1.00 3.94 H new ATOM 0 HH12 ARG A 37 -3.455 11.472 16.864 1.00 3.94 H new ATOM 0 HH21 ARG A 37 -0.023 10.981 16.237 1.00 4.50 H new ATOM 0 HH22 ARG A 37 -1.246 12.052 16.929 1.00 4.50 H new ATOM 549 N VAL A 38 -6.912 6.007 17.784 1.00 1.67 N ATOM 550 CA VAL A 38 -7.399 5.835 19.181 1.00 1.61 C ATOM 551 C VAL A 38 -8.688 4.975 19.178 1.00 1.73 C ATOM 552 O VAL A 38 -9.725 5.390 18.643 1.00 2.44 O ATOM 553 CB VAL A 38 -7.658 7.183 20.030 1.00 2.08 C ATOM 554 CG1 VAL A 38 -6.438 7.541 20.904 1.00 2.70 C ATOM 555 CG2 VAL A 38 -8.065 8.447 19.204 1.00 2.63 C ATOM 0 H VAL A 38 -7.665 6.095 17.102 1.00 1.67 H new ATOM 0 HA VAL A 38 -6.573 5.344 19.695 1.00 1.61 H new ATOM 0 HB VAL A 38 -8.523 6.926 20.641 1.00 2.08 H new ATOM 0 HG11 VAL A 38 -6.646 8.454 21.462 1.00 2.70 H new ATOM 0 HG12 VAL A 38 -6.238 6.727 21.601 1.00 2.70 H new ATOM 0 HG13 VAL A 38 -5.567 7.696 20.267 1.00 2.70 H new ATOM 0 HG21 VAL A 38 -8.213 9.290 19.879 1.00 2.63 H new ATOM 0 HG22 VAL A 38 -7.275 8.686 18.492 1.00 2.63 H new ATOM 0 HG23 VAL A 38 -8.991 8.247 18.665 1.00 2.63 H new ATOM 565 N GLY A 39 -8.606 3.781 19.787 1.00 1.64 N ATOM 566 CA GLY A 39 -9.757 2.879 19.846 1.00 1.95 C ATOM 567 C GLY A 39 -9.421 1.430 19.500 1.00 1.52 C ATOM 568 O GLY A 39 -8.724 0.749 20.260 1.00 1.67 O ATOM 0 H GLY A 39 -7.764 3.425 20.239 1.00 1.64 H new ATOM 0 HA2 GLY A 39 -10.184 2.914 20.848 1.00 1.95 H new ATOM 0 HA3 GLY A 39 -10.524 3.238 19.160 1.00 1.95 H new ATOM 572 N ARG A 40 -9.932 0.961 18.343 1.00 1.49 N ATOM 573 CA ARG A 40 -9.708 -0.426 17.883 1.00 1.54 C ATOM 574 C ARG A 40 -9.745 -0.538 16.324 1.00 1.40 C ATOM 575 O ARG A 40 -9.315 0.376 15.609 1.00 1.40 O ATOM 576 CB ARG A 40 -10.778 -1.348 18.540 1.00 2.19 C ATOM 577 CG ARG A 40 -10.291 -2.764 18.948 1.00 2.54 C ATOM 578 CD ARG A 40 -9.516 -2.772 20.283 1.00 3.29 C ATOM 579 NE ARG A 40 -10.351 -2.338 21.403 1.00 3.83 N ATOM 580 CZ ARG A 40 -9.906 -2.203 22.649 1.00 4.62 C ATOM 581 NH1 ARG A 40 -8.640 -2.468 22.939 1.00 4.94 N ATOM 582 NH2 ARG A 40 -10.729 -1.799 23.608 1.00 5.34 N ATOM 0 H ARG A 40 -10.502 1.522 17.710 1.00 1.49 H new ATOM 0 HA ARG A 40 -8.711 -0.744 18.189 1.00 1.54 H new ATOM 0 HB2 ARG A 40 -11.165 -0.848 19.428 1.00 2.19 H new ATOM 0 HB3 ARG A 40 -11.612 -1.457 17.846 1.00 2.19 H new ATOM 0 HG2 ARG A 40 -11.151 -3.429 19.029 1.00 2.54 H new ATOM 0 HG3 ARG A 40 -9.652 -3.164 18.161 1.00 2.54 H new ATOM 0 HD2 ARG A 40 -9.141 -3.776 20.478 1.00 3.29 H new ATOM 0 HD3 ARG A 40 -8.648 -2.117 20.203 1.00 3.29 H new ATOM 0 HE ARG A 40 -11.331 -2.127 21.218 1.00 3.83 H new ATOM 0 HH11 ARG A 40 -8.003 -2.777 22.205 1.00 4.94 H new ATOM 0 HH12 ARG A 40 -8.303 -2.363 23.896 1.00 4.94 H new ATOM 0 HH21 ARG A 40 -11.704 -1.592 23.390 1.00 5.34 H new ATOM 0 HH22 ARG A 40 -10.387 -1.696 24.563 1.00 5.34 H new ATOM 596 N ALA A 41 -10.250 -1.697 15.807 1.00 1.35 N ATOM 597 CA ALA A 41 -10.371 -1.993 14.350 1.00 1.29 C ATOM 598 C ALA A 41 -11.802 -1.704 13.809 1.00 1.31 C ATOM 599 O ALA A 41 -12.821 -2.010 14.456 1.00 1.64 O ATOM 600 CB ALA A 41 -9.990 -3.476 14.102 1.00 1.35 C ATOM 0 H ALA A 41 -10.587 -2.458 16.397 1.00 1.35 H new ATOM 0 HA ALA A 41 -9.690 -1.335 13.810 1.00 1.29 H new ATOM 0 HB1 ALA A 41 -10.076 -3.701 13.039 1.00 1.35 H new ATOM 0 HB2 ALA A 41 -8.964 -3.647 14.427 1.00 1.35 H new ATOM 0 HB3 ALA A 41 -10.662 -4.123 14.665 1.00 1.35 H new ATOM 606 N SER A 42 -11.855 -1.082 12.616 1.00 1.13 N ATOM 607 CA SER A 42 -13.123 -0.744 11.946 1.00 1.15 C ATOM 608 C SER A 42 -13.236 -1.457 10.589 1.00 1.10 C ATOM 609 O SER A 42 -12.313 -1.413 9.772 1.00 1.57 O ATOM 610 CB SER A 42 -13.239 0.774 11.750 1.00 1.23 C ATOM 611 OG SER A 42 -13.689 1.415 12.934 1.00 1.43 O ATOM 0 H SER A 42 -11.025 -0.802 12.093 1.00 1.13 H new ATOM 0 HA SER A 42 -13.939 -1.083 12.584 1.00 1.15 H new ATOM 0 HB2 SER A 42 -12.270 1.180 11.460 1.00 1.23 H new ATOM 0 HB3 SER A 42 -13.930 0.986 10.934 1.00 1.23 H new ATOM 0 HG SER A 42 -13.752 2.381 12.780 1.00 1.43 H new ATOM 617 N ASP A 43 -14.377 -2.118 10.359 1.00 0.99 N ATOM 618 CA ASP A 43 -14.607 -2.859 9.102 1.00 0.98 C ATOM 619 C ASP A 43 -15.980 -2.526 8.460 1.00 1.13 C ATOM 620 O ASP A 43 -17.040 -2.878 8.991 1.00 1.62 O ATOM 621 CB ASP A 43 -14.382 -4.419 9.277 1.00 1.01 C ATOM 622 CG ASP A 43 -15.125 -5.114 10.445 1.00 1.65 C ATOM 623 OD1 ASP A 43 -16.266 -5.576 10.233 1.00 2.33 O ATOM 624 OD2 ASP A 43 -14.553 -5.186 11.553 1.00 1.80 O ATOM 0 H ASP A 43 -15.154 -2.158 11.019 1.00 0.99 H new ATOM 0 HA ASP A 43 -13.851 -2.514 8.397 1.00 0.98 H new ATOM 0 HB2 ASP A 43 -14.677 -4.909 8.349 1.00 1.01 H new ATOM 0 HB3 ASP A 43 -13.314 -4.594 9.404 1.00 1.01 H new ATOM 629 N TYR A 44 -15.927 -1.826 7.310 1.00 1.26 N ATOM 630 CA TYR A 44 -17.133 -1.448 6.540 1.00 1.48 C ATOM 631 C TYR A 44 -17.129 -2.154 5.165 1.00 1.68 C ATOM 632 O TYR A 44 -16.932 -1.531 4.114 1.00 2.40 O ATOM 633 CB TYR A 44 -17.211 0.081 6.367 1.00 1.58 C ATOM 634 CG TYR A 44 -17.646 0.839 7.629 1.00 1.67 C ATOM 635 CD1 TYR A 44 -18.999 1.016 7.946 1.00 1.93 C ATOM 636 CD2 TYR A 44 -16.698 1.382 8.505 1.00 2.02 C ATOM 637 CE1 TYR A 44 -19.383 1.703 9.087 1.00 2.32 C ATOM 638 CE2 TYR A 44 -17.086 2.067 9.646 1.00 2.50 C ATOM 639 CZ TYR A 44 -18.450 2.214 9.925 1.00 2.56 C ATOM 640 OH TYR A 44 -18.808 2.904 11.061 1.00 3.16 O ATOM 0 H TYR A 44 -15.054 -1.507 6.889 1.00 1.26 H new ATOM 0 HA TYR A 44 -18.015 -1.770 7.094 1.00 1.48 H new ATOM 0 HB2 TYR A 44 -16.234 0.450 6.055 1.00 1.58 H new ATOM 0 HB3 TYR A 44 -17.910 0.308 5.562 1.00 1.58 H new ATOM 0 HD1 TYR A 44 -19.755 0.610 7.290 1.00 1.93 H new ATOM 0 HD2 TYR A 44 -15.647 1.265 8.288 1.00 2.02 H new ATOM 0 HE1 TYR A 44 -20.432 1.831 9.309 1.00 2.32 H new ATOM 0 HE2 TYR A 44 -16.344 2.483 10.312 1.00 2.50 H new ATOM 0 HH TYR A 44 -18.001 3.193 11.536 1.00 3.16 H new ATOM 650 N GLY A 45 -17.346 -3.479 5.216 1.00 1.41 N ATOM 651 CA GLY A 45 -17.338 -4.331 4.028 1.00 1.52 C ATOM 652 C GLY A 45 -16.380 -5.511 4.197 1.00 1.29 C ATOM 653 O GLY A 45 -15.339 -5.568 3.540 1.00 1.22 O ATOM 0 H GLY A 45 -17.531 -3.983 6.083 1.00 1.41 H new ATOM 0 HA2 GLY A 45 -18.345 -4.702 3.837 1.00 1.52 H new ATOM 0 HA3 GLY A 45 -17.045 -3.743 3.158 1.00 1.52 H new ATOM 657 N MET A 46 -16.751 -6.452 5.094 1.00 1.26 N ATOM 658 CA MET A 46 -15.935 -7.652 5.418 1.00 1.14 C ATOM 659 C MET A 46 -16.278 -8.911 4.576 1.00 1.13 C ATOM 660 O MET A 46 -15.427 -9.788 4.406 1.00 1.13 O ATOM 661 CB MET A 46 -16.119 -7.990 6.906 1.00 1.28 C ATOM 662 CG MET A 46 -14.819 -8.254 7.685 1.00 1.04 C ATOM 663 SD MET A 46 -13.870 -9.645 7.032 1.00 1.58 S ATOM 664 CE MET A 46 -12.432 -9.622 8.101 1.00 1.67 C ATOM 0 H MET A 46 -17.626 -6.404 5.617 1.00 1.26 H new ATOM 0 HA MET A 46 -14.904 -7.393 5.177 1.00 1.14 H new ATOM 0 HB2 MET A 46 -16.650 -7.168 7.386 1.00 1.28 H new ATOM 0 HB3 MET A 46 -16.756 -8.871 6.986 1.00 1.28 H new ATOM 0 HG2 MET A 46 -14.200 -7.357 7.661 1.00 1.04 H new ATOM 0 HG3 MET A 46 -15.062 -8.446 8.730 1.00 1.04 H new ATOM 0 HE1 MET A 46 -11.754 -10.427 7.817 1.00 1.67 H new ATOM 0 HE2 MET A 46 -11.920 -8.665 8.002 1.00 1.67 H new ATOM 0 HE3 MET A 46 -12.746 -9.760 9.136 1.00 1.67 H new ATOM 674 N LYS A 47 -17.518 -8.987 4.047 1.00 1.20 N ATOM 675 CA LYS A 47 -17.967 -10.131 3.235 1.00 1.24 C ATOM 676 C LYS A 47 -17.917 -9.815 1.714 1.00 1.33 C ATOM 677 O LYS A 47 -18.938 -9.734 1.035 1.00 1.68 O ATOM 678 CB LYS A 47 -19.386 -10.526 3.691 1.00 1.34 C ATOM 679 CG LYS A 47 -19.877 -11.927 3.203 1.00 2.03 C ATOM 680 CD LYS A 47 -21.322 -11.913 2.629 1.00 2.90 C ATOM 681 CE LYS A 47 -21.382 -11.410 1.172 1.00 3.65 C ATOM 682 NZ LYS A 47 -22.774 -11.074 0.764 1.00 4.18 N ATOM 0 H LYS A 47 -18.227 -8.264 4.171 1.00 1.20 H new ATOM 0 HA LYS A 47 -17.290 -10.971 3.388 1.00 1.24 H new ATOM 0 HB2 LYS A 47 -19.419 -10.507 4.780 1.00 1.34 H new ATOM 0 HB3 LYS A 47 -20.087 -9.770 3.338 1.00 1.34 H new ATOM 0 HG2 LYS A 47 -19.194 -12.296 2.438 1.00 2.03 H new ATOM 0 HG3 LYS A 47 -19.832 -12.629 4.036 1.00 2.03 H new ATOM 0 HD2 LYS A 47 -21.737 -12.920 2.678 1.00 2.90 H new ATOM 0 HD3 LYS A 47 -21.950 -11.278 3.254 1.00 2.90 H new ATOM 0 HE2 LYS A 47 -20.748 -10.530 1.064 1.00 3.65 H new ATOM 0 HE3 LYS A 47 -20.982 -12.174 0.506 1.00 3.65 H new ATOM 0 HZ1 LYS A 47 -22.776 -10.740 -0.221 1.00 4.18 H new ATOM 0 HZ2 LYS A 47 -23.373 -11.921 0.843 1.00 4.18 H new ATOM 0 HZ3 LYS A 47 -23.147 -10.327 1.384 1.00 4.18 H new ATOM 696 N LEU A 48 -16.680 -9.632 1.226 1.00 1.18 N ATOM 697 CA LEU A 48 -16.364 -9.329 -0.174 1.00 1.29 C ATOM 698 C LEU A 48 -14.852 -9.601 -0.367 1.00 1.00 C ATOM 699 O LEU A 48 -14.060 -8.656 -0.471 1.00 1.21 O ATOM 700 CB LEU A 48 -16.694 -7.842 -0.502 1.00 1.76 C ATOM 701 CG LEU A 48 -17.524 -7.501 -1.808 1.00 1.96 C ATOM 702 CD1 LEU A 48 -17.001 -8.194 -3.075 1.00 2.24 C ATOM 703 CD2 LEU A 48 -19.015 -7.799 -1.636 1.00 2.63 C ATOM 0 H LEU A 48 -15.849 -9.693 1.814 1.00 1.18 H new ATOM 0 HA LEU A 48 -16.959 -9.949 -0.845 1.00 1.29 H new ATOM 0 HB2 LEU A 48 -17.239 -7.432 0.349 1.00 1.76 H new ATOM 0 HB3 LEU A 48 -15.749 -7.303 -0.565 1.00 1.76 H new ATOM 0 HG LEU A 48 -17.387 -6.429 -1.947 1.00 1.96 H new ATOM 0 HD11 LEU A 48 -17.620 -7.911 -3.926 1.00 2.24 H new ATOM 0 HD12 LEU A 48 -15.971 -7.888 -3.258 1.00 2.24 H new ATOM 0 HD13 LEU A 48 -17.040 -9.275 -2.941 1.00 2.24 H new ATOM 0 HD21 LEU A 48 -19.544 -7.550 -2.556 1.00 2.63 H new ATOM 0 HD22 LEU A 48 -19.151 -8.857 -1.414 1.00 2.63 H new ATOM 0 HD23 LEU A 48 -19.413 -7.202 -0.815 1.00 2.63 H new ATOM 715 N PRO A 49 -14.419 -10.917 -0.398 1.00 0.82 N ATOM 716 CA PRO A 49 -12.972 -11.345 -0.533 1.00 0.89 C ATOM 717 C PRO A 49 -12.217 -10.933 -1.821 1.00 0.75 C ATOM 718 O PRO A 49 -12.821 -10.708 -2.873 1.00 0.78 O ATOM 719 CB PRO A 49 -13.063 -12.887 -0.512 1.00 1.31 C ATOM 720 CG PRO A 49 -14.336 -13.180 0.215 1.00 1.37 C ATOM 721 CD PRO A 49 -15.298 -12.113 -0.253 1.00 1.05 C ATOM 0 HA PRO A 49 -12.401 -10.857 0.257 1.00 0.89 H new ATOM 0 HB2 PRO A 49 -13.080 -13.297 -1.522 1.00 1.31 H new ATOM 0 HB3 PRO A 49 -12.206 -13.328 -0.003 1.00 1.31 H new ATOM 0 HG2 PRO A 49 -14.706 -14.178 -0.020 1.00 1.37 H new ATOM 0 HG3 PRO A 49 -14.194 -13.139 1.295 1.00 1.37 H new ATOM 0 HD2 PRO A 49 -15.773 -12.382 -1.196 1.00 1.05 H new ATOM 0 HD3 PRO A 49 -16.096 -11.943 0.469 1.00 1.05 H new ATOM 729 N ILE A 50 -10.865 -10.852 -1.691 1.00 0.67 N ATOM 730 CA ILE A 50 -9.948 -10.517 -2.799 1.00 0.60 C ATOM 731 C ILE A 50 -9.461 -11.864 -3.472 1.00 0.64 C ATOM 732 O ILE A 50 -9.001 -12.793 -2.794 1.00 0.69 O ATOM 733 CB ILE A 50 -8.789 -9.484 -2.255 1.00 0.57 C ATOM 734 CG1 ILE A 50 -9.192 -7.995 -2.503 1.00 0.54 C ATOM 735 CG2 ILE A 50 -7.368 -9.632 -2.883 1.00 0.59 C ATOM 736 CD1 ILE A 50 -10.403 -7.458 -1.768 1.00 0.59 C ATOM 0 H ILE A 50 -10.385 -11.019 -0.807 1.00 0.67 H new ATOM 0 HA ILE A 50 -10.429 -9.964 -3.605 1.00 0.60 H new ATOM 0 HB ILE A 50 -8.728 -9.756 -1.201 1.00 0.57 H new ATOM 0 HG12 ILE A 50 -8.338 -7.369 -2.243 1.00 0.54 H new ATOM 0 HG13 ILE A 50 -9.366 -7.869 -3.572 1.00 0.54 H new ATOM 0 HG21 ILE A 50 -6.697 -8.896 -2.442 1.00 0.59 H new ATOM 0 HG22 ILE A 50 -6.986 -10.634 -2.688 1.00 0.59 H new ATOM 0 HG23 ILE A 50 -7.427 -9.470 -3.959 1.00 0.59 H new ATOM 0 HD11 ILE A 50 -10.560 -6.414 -2.039 1.00 0.59 H new ATOM 0 HD12 ILE A 50 -11.283 -8.040 -2.042 1.00 0.59 H new ATOM 0 HD13 ILE A 50 -10.239 -7.533 -0.693 1.00 0.59 H new ATOM 748 N LEU A 51 -9.567 -11.909 -4.816 1.00 0.65 N ATOM 749 CA LEU A 51 -9.226 -13.109 -5.636 1.00 0.71 C ATOM 750 C LEU A 51 -7.737 -13.264 -6.056 1.00 0.78 C ATOM 751 O LEU A 51 -7.361 -14.326 -6.565 1.00 1.26 O ATOM 752 CB LEU A 51 -10.081 -13.086 -6.909 1.00 0.74 C ATOM 753 CG LEU A 51 -11.555 -13.563 -6.773 1.00 0.86 C ATOM 754 CD1 LEU A 51 -12.473 -12.810 -7.736 1.00 1.22 C ATOM 755 CD2 LEU A 51 -11.680 -15.067 -7.024 1.00 1.28 C ATOM 0 H LEU A 51 -9.891 -11.118 -5.372 1.00 0.65 H new ATOM 0 HA LEU A 51 -9.429 -13.959 -4.985 1.00 0.71 H new ATOM 0 HB2 LEU A 51 -10.088 -12.067 -7.295 1.00 0.74 H new ATOM 0 HB3 LEU A 51 -9.591 -13.707 -7.659 1.00 0.74 H new ATOM 0 HG LEU A 51 -11.863 -13.350 -5.750 1.00 0.86 H new ATOM 0 HD11 LEU A 51 -13.496 -13.166 -7.617 1.00 1.22 H new ATOM 0 HD12 LEU A 51 -12.432 -11.743 -7.518 1.00 1.22 H new ATOM 0 HD13 LEU A 51 -12.146 -12.983 -8.761 1.00 1.22 H new ATOM 0 HD21 LEU A 51 -12.723 -15.368 -6.921 1.00 1.28 H new ATOM 0 HD22 LEU A 51 -11.333 -15.298 -8.031 1.00 1.28 H new ATOM 0 HD23 LEU A 51 -11.073 -15.609 -6.299 1.00 1.28 H new ATOM 767 N ARG A 52 -6.895 -12.232 -5.847 1.00 0.58 N ATOM 768 CA ARG A 52 -5.464 -12.308 -6.215 1.00 0.58 C ATOM 769 C ARG A 52 -4.498 -12.529 -5.003 1.00 0.57 C ATOM 770 O ARG A 52 -3.276 -12.460 -5.171 1.00 0.65 O ATOM 771 CB ARG A 52 -5.051 -11.037 -6.989 1.00 0.57 C ATOM 772 CG ARG A 52 -4.699 -11.242 -8.488 1.00 0.70 C ATOM 773 CD ARG A 52 -5.921 -11.593 -9.358 1.00 0.64 C ATOM 774 NE ARG A 52 -5.550 -11.770 -10.761 1.00 0.87 N ATOM 775 CZ ARG A 52 -6.414 -12.097 -11.718 1.00 1.19 C ATOM 776 NH1 ARG A 52 -7.695 -12.287 -11.429 1.00 1.34 N ATOM 777 NH2 ARG A 52 -5.996 -12.233 -12.970 1.00 1.51 N ATOM 0 H ARG A 52 -7.176 -11.344 -5.430 1.00 0.58 H new ATOM 0 HA ARG A 52 -5.364 -13.192 -6.844 1.00 0.58 H new ATOM 0 HB2 ARG A 52 -5.864 -10.314 -6.922 1.00 0.57 H new ATOM 0 HB3 ARG A 52 -4.189 -10.595 -6.490 1.00 0.57 H new ATOM 0 HG2 ARG A 52 -4.236 -10.333 -8.873 1.00 0.70 H new ATOM 0 HG3 ARG A 52 -3.959 -12.038 -8.575 1.00 0.70 H new ATOM 0 HD2 ARG A 52 -6.383 -12.507 -8.985 1.00 0.64 H new ATOM 0 HD3 ARG A 52 -6.667 -10.802 -9.275 1.00 0.64 H new ATOM 0 HE ARG A 52 -4.573 -11.635 -11.021 1.00 0.87 H new ATOM 0 HH11 ARG A 52 -8.022 -12.182 -10.469 1.00 1.34 H new ATOM 0 HH12 ARG A 52 -8.353 -12.538 -12.167 1.00 1.34 H new ATOM 0 HH21 ARG A 52 -5.013 -12.087 -13.198 1.00 1.51 H new ATOM 0 HH22 ARG A 52 -6.658 -12.484 -13.704 1.00 1.51 H new ATOM 791 N SER A 53 -5.051 -12.804 -3.798 1.00 0.53 N ATOM 792 CA SER A 53 -4.244 -13.054 -2.589 1.00 0.54 C ATOM 793 C SER A 53 -4.737 -14.315 -1.802 1.00 0.57 C ATOM 794 O SER A 53 -5.489 -15.150 -2.322 1.00 0.67 O ATOM 795 CB SER A 53 -4.272 -11.794 -1.693 1.00 0.53 C ATOM 796 OG SER A 53 -3.023 -11.588 -1.046 1.00 1.09 O ATOM 0 H SER A 53 -6.057 -12.858 -3.641 1.00 0.53 H new ATOM 0 HA SER A 53 -3.219 -13.263 -2.895 1.00 0.54 H new ATOM 0 HB2 SER A 53 -4.518 -10.921 -2.298 1.00 0.53 H new ATOM 0 HB3 SER A 53 -5.058 -11.895 -0.945 1.00 0.53 H new ATOM 0 HG SER A 53 -2.759 -10.649 -1.136 1.00 1.09 H new ATOM 802 N ASN A 54 -4.277 -14.435 -0.535 1.00 0.59 N ATOM 803 CA ASN A 54 -4.631 -15.548 0.397 1.00 0.64 C ATOM 804 C ASN A 54 -5.823 -15.141 1.342 1.00 0.63 C ATOM 805 O ASN A 54 -6.341 -14.045 1.192 1.00 0.66 O ATOM 806 CB ASN A 54 -3.377 -15.835 1.252 1.00 0.80 C ATOM 807 CG ASN A 54 -2.922 -17.290 1.280 1.00 0.85 C ATOM 808 OD1 ASN A 54 -3.012 -18.014 0.288 1.00 1.27 O ATOM 809 ND2 ASN A 54 -2.434 -17.712 2.443 1.00 1.12 N ATOM 0 H ASN A 54 -3.640 -13.755 -0.119 1.00 0.59 H new ATOM 0 HA ASN A 54 -4.944 -16.424 -0.171 1.00 0.64 H new ATOM 0 HB2 ASN A 54 -2.556 -15.223 0.879 1.00 0.80 H new ATOM 0 HB3 ASN A 54 -3.575 -15.514 2.275 1.00 0.80 H new ATOM 0 HD21 ASN A 54 -2.113 -18.675 2.542 1.00 1.12 H new ATOM 0 HD22 ASN A 54 -2.380 -17.072 3.236 1.00 1.12 H new ATOM 816 N PRO A 55 -6.341 -16.029 2.289 1.00 0.71 N ATOM 817 CA PRO A 55 -7.417 -15.643 3.291 1.00 0.75 C ATOM 818 C PRO A 55 -6.883 -14.687 4.400 1.00 0.74 C ATOM 819 O PRO A 55 -7.471 -13.626 4.707 1.00 0.80 O ATOM 820 CB PRO A 55 -7.836 -16.995 3.918 1.00 0.89 C ATOM 821 CG PRO A 55 -7.321 -18.035 2.962 1.00 0.95 C ATOM 822 CD PRO A 55 -6.025 -17.468 2.420 1.00 0.83 C ATOM 0 HA PRO A 55 -8.234 -15.104 2.812 1.00 0.75 H new ATOM 0 HB2 PRO A 55 -7.405 -17.122 4.911 1.00 0.89 H new ATOM 0 HB3 PRO A 55 -8.918 -17.061 4.030 1.00 0.89 H new ATOM 0 HG2 PRO A 55 -7.154 -18.986 3.467 1.00 0.95 H new ATOM 0 HG3 PRO A 55 -8.035 -18.221 2.160 1.00 0.95 H new ATOM 0 HD2 PRO A 55 -5.190 -17.641 3.099 1.00 0.83 H new ATOM 0 HD3 PRO A 55 -5.755 -17.914 1.463 1.00 0.83 H new ATOM 830 N GLU A 56 -5.681 -15.059 4.916 1.00 0.71 N ATOM 831 CA GLU A 56 -4.919 -14.302 5.962 1.00 0.73 C ATOM 832 C GLU A 56 -4.325 -12.979 5.392 1.00 0.65 C ATOM 833 O GLU A 56 -4.526 -11.874 5.947 1.00 0.67 O ATOM 834 CB GLU A 56 -3.780 -15.190 6.556 1.00 0.80 C ATOM 835 CG GLU A 56 -3.213 -16.272 5.628 1.00 0.97 C ATOM 836 CD GLU A 56 -2.148 -17.104 6.313 1.00 1.48 C ATOM 837 OE1 GLU A 56 -1.123 -16.528 6.740 1.00 1.63 O ATOM 838 OE2 GLU A 56 -2.334 -18.334 6.421 1.00 2.04 O ATOM 0 H GLU A 56 -5.201 -15.907 4.615 1.00 0.71 H new ATOM 0 HA GLU A 56 -5.619 -14.041 6.756 1.00 0.73 H new ATOM 0 HB2 GLU A 56 -2.962 -14.538 6.863 1.00 0.80 H new ATOM 0 HB3 GLU A 56 -4.157 -15.674 7.457 1.00 0.80 H new ATOM 0 HG2 GLU A 56 -4.021 -16.922 5.292 1.00 0.97 H new ATOM 0 HG3 GLU A 56 -2.791 -15.803 4.739 1.00 0.97 H new ATOM 845 N ASP A 57 -3.677 -13.094 4.204 1.00 0.62 N ATOM 846 CA ASP A 57 -3.116 -11.935 3.478 1.00 0.58 C ATOM 847 C ASP A 57 -4.254 -11.108 2.727 1.00 0.52 C ATOM 848 O ASP A 57 -3.998 -10.031 2.193 1.00 0.53 O ATOM 849 CB ASP A 57 -2.027 -12.441 2.517 1.00 0.60 C ATOM 850 CG ASP A 57 -0.888 -11.453 2.233 1.00 1.08 C ATOM 851 OD1 ASP A 57 -1.073 -10.243 2.467 1.00 1.62 O ATOM 852 OD2 ASP A 57 0.179 -11.902 1.765 1.00 1.62 O ATOM 0 H ASP A 57 -3.532 -13.985 3.730 1.00 0.62 H new ATOM 0 HA ASP A 57 -2.665 -11.239 4.186 1.00 0.58 H new ATOM 0 HB2 ASP A 57 -1.598 -13.354 2.929 1.00 0.60 H new ATOM 0 HB3 ASP A 57 -2.497 -12.709 1.571 1.00 0.60 H new ATOM 857 N GLN A 58 -5.530 -11.651 2.754 1.00 0.52 N ATOM 858 CA GLN A 58 -6.782 -10.999 2.240 1.00 0.51 C ATOM 859 C GLN A 58 -7.177 -9.860 3.213 1.00 0.50 C ATOM 860 O GLN A 58 -7.595 -8.789 2.807 1.00 0.49 O ATOM 861 CB GLN A 58 -7.920 -12.027 2.193 1.00 0.60 C ATOM 862 CG GLN A 58 -9.112 -11.672 1.306 1.00 0.84 C ATOM 863 CD GLN A 58 -10.259 -12.636 1.518 1.00 0.91 C ATOM 864 OE1 GLN A 58 -10.341 -13.672 0.857 1.00 1.16 O ATOM 865 NE2 GLN A 58 -11.148 -12.308 2.449 1.00 1.77 N ATOM 0 H GLN A 58 -5.709 -12.576 3.145 1.00 0.52 H new ATOM 0 HA GLN A 58 -6.608 -10.606 1.238 1.00 0.51 H new ATOM 0 HB2 GLN A 58 -7.510 -12.977 1.852 1.00 0.60 H new ATOM 0 HB3 GLN A 58 -8.283 -12.183 3.209 1.00 0.60 H new ATOM 0 HG2 GLN A 58 -9.442 -10.657 1.525 1.00 0.84 H new ATOM 0 HG3 GLN A 58 -8.808 -11.689 0.259 1.00 0.84 H new ATOM 0 HE21 GLN A 58 -11.041 -11.439 2.973 1.00 1.77 H new ATOM 0 HE22 GLN A 58 -11.938 -12.925 2.640 1.00 1.77 H new ATOM 874 N VAL A 59 -6.992 -10.154 4.538 1.00 0.52 N ATOM 875 CA VAL A 59 -7.157 -9.158 5.677 1.00 0.54 C ATOM 876 C VAL A 59 -6.043 -8.042 5.541 1.00 0.52 C ATOM 877 O VAL A 59 -6.342 -6.870 5.727 1.00 0.55 O ATOM 878 CB VAL A 59 -7.114 -9.827 7.146 1.00 0.55 C ATOM 879 CG1 VAL A 59 -7.518 -8.864 8.298 1.00 0.80 C ATOM 880 CG2 VAL A 59 -8.050 -11.025 7.273 1.00 0.81 C ATOM 0 H VAL A 59 -6.724 -11.084 4.859 1.00 0.52 H new ATOM 0 HA VAL A 59 -8.154 -8.726 5.587 1.00 0.54 H new ATOM 0 HB VAL A 59 -6.068 -10.116 7.246 1.00 0.55 H new ATOM 0 HG11 VAL A 59 -7.462 -9.392 9.250 1.00 0.80 H new ATOM 0 HG12 VAL A 59 -6.838 -8.012 8.315 1.00 0.80 H new ATOM 0 HG13 VAL A 59 -8.537 -8.512 8.137 1.00 0.80 H new ATOM 0 HG21 VAL A 59 -7.981 -11.436 8.280 1.00 0.81 H new ATOM 0 HG22 VAL A 59 -9.075 -10.708 7.080 1.00 0.81 H new ATOM 0 HG23 VAL A 59 -7.764 -11.788 6.550 1.00 0.81 H new ATOM 890 N LEU A 60 -4.769 -8.430 5.187 1.00 0.49 N ATOM 891 CA LEU A 60 -3.680 -7.418 4.909 1.00 0.48 C ATOM 892 C LEU A 60 -3.844 -6.717 3.498 1.00 0.49 C ATOM 893 O LEU A 60 -3.149 -5.762 3.205 1.00 0.65 O ATOM 894 CB LEU A 60 -2.293 -8.116 4.972 1.00 0.52 C ATOM 895 CG LEU A 60 -1.004 -7.227 5.163 1.00 0.71 C ATOM 896 CD1 LEU A 60 -0.025 -7.833 6.151 1.00 1.15 C ATOM 897 CD2 LEU A 60 -0.218 -7.038 3.888 1.00 0.90 C ATOM 0 H LEU A 60 -4.476 -9.402 5.089 1.00 0.49 H new ATOM 0 HA LEU A 60 -3.759 -6.644 5.672 1.00 0.48 H new ATOM 0 HB2 LEU A 60 -2.322 -8.835 5.790 1.00 0.52 H new ATOM 0 HB3 LEU A 60 -2.168 -8.686 4.051 1.00 0.52 H new ATOM 0 HG LEU A 60 -1.400 -6.276 5.520 1.00 0.71 H new ATOM 0 HD11 LEU A 60 0.845 -7.183 6.247 1.00 1.15 H new ATOM 0 HD12 LEU A 60 -0.507 -7.939 7.123 1.00 1.15 H new ATOM 0 HD13 LEU A 60 0.292 -8.813 5.794 1.00 1.15 H new ATOM 0 HD21 LEU A 60 0.656 -6.418 4.088 1.00 0.90 H new ATOM 0 HD22 LEU A 60 0.105 -8.009 3.512 1.00 0.90 H new ATOM 0 HD23 LEU A 60 -0.846 -6.551 3.142 1.00 0.90 H new ATOM 909 N TYR A 61 -4.773 -7.229 2.669 1.00 0.44 N ATOM 910 CA TYR A 61 -5.091 -6.708 1.309 1.00 0.45 C ATOM 911 C TYR A 61 -6.598 -6.270 1.147 1.00 0.47 C ATOM 912 O TYR A 61 -7.085 -6.155 0.026 1.00 0.52 O ATOM 913 CB TYR A 61 -4.800 -7.809 0.253 1.00 0.44 C ATOM 914 CG TYR A 61 -3.336 -7.986 -0.211 1.00 0.46 C ATOM 915 CD1 TYR A 61 -2.267 -7.759 0.669 1.00 0.70 C ATOM 916 CD2 TYR A 61 -3.013 -8.354 -1.519 1.00 0.76 C ATOM 917 CE1 TYR A 61 -0.950 -7.901 0.261 1.00 0.72 C ATOM 918 CE2 TYR A 61 -1.694 -8.494 -1.926 1.00 0.92 C ATOM 919 CZ TYR A 61 -0.696 -8.344 -1.073 1.00 0.72 C ATOM 920 OH TYR A 61 0.633 -8.407 -1.438 1.00 0.88 O ATOM 0 H TYR A 61 -5.342 -8.036 2.924 1.00 0.44 H new ATOM 0 HA TYR A 61 -4.466 -5.827 1.163 1.00 0.45 H new ATOM 0 HB2 TYR A 61 -5.142 -8.762 0.658 1.00 0.44 H new ATOM 0 HB3 TYR A 61 -5.408 -7.600 -0.627 1.00 0.44 H new ATOM 0 HD1 TYR A 61 -2.475 -7.467 1.688 1.00 0.70 H new ATOM 0 HD2 TYR A 61 -3.807 -8.533 -2.229 1.00 0.76 H new ATOM 0 HE1 TYR A 61 -0.135 -7.682 0.935 1.00 0.72 H new ATOM 0 HE2 TYR A 61 -1.479 -8.730 -2.958 1.00 0.92 H new ATOM 0 HH TYR A 61 0.703 -8.720 -2.364 1.00 0.88 H new ATOM 930 N GLN A 62 -7.338 -6.058 2.261 1.00 0.50 N ATOM 931 CA GLN A 62 -8.798 -5.679 2.199 1.00 0.57 C ATOM 932 C GLN A 62 -9.325 -4.730 3.325 1.00 0.70 C ATOM 933 O GLN A 62 -10.348 -4.069 3.114 1.00 1.33 O ATOM 934 CB GLN A 62 -9.687 -6.957 2.226 1.00 0.57 C ATOM 935 CG GLN A 62 -11.193 -6.711 1.959 1.00 0.75 C ATOM 936 CD GLN A 62 -12.086 -7.842 2.439 1.00 0.77 C ATOM 937 OE1 GLN A 62 -13.229 -7.615 2.830 1.00 1.26 O ATOM 938 NE2 GLN A 62 -11.577 -9.062 2.410 1.00 1.02 N ATOM 0 H GLN A 62 -6.968 -6.138 3.208 1.00 0.50 H new ATOM 0 HA GLN A 62 -8.869 -5.121 1.265 1.00 0.57 H new ATOM 0 HB2 GLN A 62 -9.311 -7.659 1.482 1.00 0.57 H new ATOM 0 HB3 GLN A 62 -9.579 -7.436 3.199 1.00 0.57 H new ATOM 0 HG2 GLN A 62 -11.495 -5.786 2.451 1.00 0.75 H new ATOM 0 HG3 GLN A 62 -11.346 -6.567 0.889 1.00 0.75 H new ATOM 0 HE21 GLN A 62 -10.624 -9.209 2.078 1.00 1.02 H new ATOM 0 HE22 GLN A 62 -12.138 -9.856 2.719 1.00 1.02 H new ATOM 947 N THR A 63 -8.655 -4.635 4.492 1.00 0.58 N ATOM 948 CA THR A 63 -9.160 -3.799 5.654 1.00 0.62 C ATOM 949 C THR A 63 -8.896 -2.251 5.547 1.00 0.76 C ATOM 950 O THR A 63 -7.768 -1.814 5.312 1.00 1.28 O ATOM 951 CB THR A 63 -8.642 -4.349 7.045 1.00 0.59 C ATOM 952 OG1 THR A 63 -7.240 -4.644 7.020 1.00 0.63 O ATOM 953 CG2 THR A 63 -9.423 -5.598 7.510 1.00 0.60 C ATOM 0 H THR A 63 -7.772 -5.112 4.676 1.00 0.58 H new ATOM 0 HA THR A 63 -10.243 -3.911 5.595 1.00 0.62 H new ATOM 0 HB THR A 63 -8.817 -3.546 7.761 1.00 0.59 H new ATOM 0 HG1 THR A 63 -7.101 -5.540 6.647 1.00 0.63 H new ATOM 0 HG21 THR A 63 -9.030 -5.937 8.469 1.00 0.60 H new ATOM 0 HG22 THR A 63 -10.478 -5.348 7.618 1.00 0.60 H new ATOM 0 HG23 THR A 63 -9.313 -6.392 6.771 1.00 0.60 H new ATOM 961 N GLU A 64 -9.997 -1.457 5.721 1.00 0.57 N ATOM 962 CA GLU A 64 -9.990 0.049 5.670 1.00 0.60 C ATOM 963 C GLU A 64 -10.551 0.674 6.976 1.00 0.64 C ATOM 964 O GLU A 64 -11.447 0.108 7.608 1.00 0.69 O ATOM 965 CB GLU A 64 -10.863 0.581 4.505 1.00 0.67 C ATOM 966 CG GLU A 64 -12.231 -0.111 4.346 1.00 0.84 C ATOM 967 CD GLU A 64 -13.117 0.577 3.323 1.00 1.07 C ATOM 968 OE1 GLU A 64 -13.709 1.626 3.655 1.00 1.50 O ATOM 969 OE2 GLU A 64 -13.217 0.067 2.187 1.00 1.53 O ATOM 0 H GLU A 64 -10.924 -1.843 5.902 1.00 0.57 H new ATOM 0 HA GLU A 64 -8.947 0.334 5.532 1.00 0.60 H new ATOM 0 HB2 GLU A 64 -11.028 1.648 4.653 1.00 0.67 H new ATOM 0 HB3 GLU A 64 -10.307 0.470 3.574 1.00 0.67 H new ATOM 0 HG2 GLU A 64 -12.077 -1.148 4.049 1.00 0.84 H new ATOM 0 HG3 GLU A 64 -12.740 -0.128 5.310 1.00 0.84 H new ATOM 976 N ARG A 65 -10.045 1.874 7.349 1.00 0.74 N ATOM 977 CA ARG A 65 -10.494 2.572 8.586 1.00 0.91 C ATOM 978 C ARG A 65 -11.453 3.760 8.287 1.00 1.19 C ATOM 979 O ARG A 65 -12.664 3.549 8.177 1.00 2.12 O ATOM 980 CB ARG A 65 -9.282 3.024 9.469 1.00 0.98 C ATOM 981 CG ARG A 65 -8.003 3.419 8.689 1.00 0.90 C ATOM 982 CD ARG A 65 -6.878 3.952 9.615 1.00 0.96 C ATOM 983 NE ARG A 65 -7.311 5.117 10.401 1.00 1.63 N ATOM 984 CZ ARG A 65 -7.510 6.338 9.897 1.00 2.39 C ATOM 985 NH1 ARG A 65 -7.269 6.583 8.616 1.00 2.86 N ATOM 986 NH2 ARG A 65 -7.948 7.313 10.680 1.00 3.22 N ATOM 0 H ARG A 65 -9.333 2.377 6.820 1.00 0.74 H new ATOM 0 HA ARG A 65 -11.067 1.843 9.159 1.00 0.91 H new ATOM 0 HB2 ARG A 65 -9.594 3.874 10.077 1.00 0.98 H new ATOM 0 HB3 ARG A 65 -9.033 2.215 10.156 1.00 0.98 H new ATOM 0 HG2 ARG A 65 -7.635 2.553 8.139 1.00 0.90 H new ATOM 0 HG3 ARG A 65 -8.253 4.182 7.952 1.00 0.90 H new ATOM 0 HD2 ARG A 65 -6.559 3.158 10.291 1.00 0.96 H new ATOM 0 HD3 ARG A 65 -6.012 4.224 9.012 1.00 0.96 H new ATOM 0 HE ARG A 65 -7.470 4.984 11.400 1.00 1.63 H new ATOM 0 HH11 ARG A 65 -6.930 5.837 8.009 1.00 2.86 H new ATOM 0 HH12 ARG A 65 -7.423 7.518 8.238 1.00 2.86 H new ATOM 0 HH21 ARG A 65 -8.133 7.131 11.666 1.00 3.22 H new ATOM 0 HH22 ARG A 65 -8.100 8.246 10.296 1.00 3.22 H new ATOM 1000 N TYR A 66 -10.921 4.993 8.163 1.00 0.77 N ATOM 1001 CA TYR A 66 -11.752 6.183 7.878 1.00 0.92 C ATOM 1002 C TYR A 66 -11.051 7.176 6.931 1.00 1.10 C ATOM 1003 O TYR A 66 -9.817 7.206 6.821 1.00 1.80 O ATOM 1004 CB TYR A 66 -12.140 6.903 9.187 1.00 1.58 C ATOM 1005 CG TYR A 66 -13.651 6.921 9.474 1.00 1.83 C ATOM 1006 CD1 TYR A 66 -14.532 7.735 8.748 1.00 2.21 C ATOM 1007 CD2 TYR A 66 -14.193 6.123 10.487 1.00 2.35 C ATOM 1008 CE1 TYR A 66 -15.891 7.744 9.026 1.00 2.72 C ATOM 1009 CE2 TYR A 66 -15.553 6.135 10.763 1.00 2.90 C ATOM 1010 CZ TYR A 66 -16.404 6.964 9.961 1.00 2.96 C ATOM 1011 OH TYR A 66 -17.740 6.956 10.304 1.00 3.66 O ATOM 0 H TYR A 66 -9.925 5.191 8.255 1.00 0.77 H new ATOM 0 HA TYR A 66 -12.651 5.823 7.377 1.00 0.92 H new ATOM 0 HB2 TYR A 66 -11.629 6.419 10.020 1.00 1.58 H new ATOM 0 HB3 TYR A 66 -11.778 7.930 9.144 1.00 1.58 H new ATOM 0 HD1 TYR A 66 -14.146 8.365 7.960 1.00 2.21 H new ATOM 0 HD2 TYR A 66 -13.541 5.485 11.065 1.00 2.35 H new ATOM 0 HE1 TYR A 66 -16.542 8.401 8.468 1.00 2.72 H new ATOM 0 HE2 TYR A 66 -15.960 5.534 11.563 1.00 2.90 H new ATOM 0 HH TYR A 66 -17.891 6.301 11.017 1.00 3.66 H new ATOM 1021 N ASN A 67 -11.867 8.012 6.259 1.00 1.30 N ATOM 1022 CA ASN A 67 -11.356 9.012 5.296 1.00 1.97 C ATOM 1023 C ASN A 67 -11.766 10.459 5.650 1.00 1.59 C ATOM 1024 O ASN A 67 -12.897 10.720 6.082 1.00 1.69 O ATOM 1025 CB ASN A 67 -11.848 8.688 3.870 1.00 3.06 C ATOM 1026 CG ASN A 67 -10.915 7.772 3.077 1.00 3.99 C ATOM 1027 OD1 ASN A 67 -9.716 7.688 3.347 1.00 4.39 O ATOM 1028 ND2 ASN A 67 -11.470 7.085 2.086 1.00 4.70 N ATOM 0 H ASN A 67 -12.882 8.016 6.364 1.00 1.30 H new ATOM 0 HA ASN A 67 -10.269 8.953 5.348 1.00 1.97 H new ATOM 0 HB2 ASN A 67 -12.830 8.219 3.934 1.00 3.06 H new ATOM 0 HB3 ASN A 67 -11.975 9.621 3.321 1.00 3.06 H new ATOM 0 HD21 ASN A 67 -10.899 6.460 1.517 1.00 4.70 H new ATOM 0 HD22 ASN A 67 -12.467 7.182 1.894 1.00 4.70 H new ATOM 1035 N GLU A 68 -10.823 11.396 5.437 1.00 1.31 N ATOM 1036 CA GLU A 68 -11.046 12.827 5.697 1.00 1.11 C ATOM 1037 C GLU A 68 -10.512 13.686 4.512 1.00 0.91 C ATOM 1038 O GLU A 68 -11.164 13.736 3.466 1.00 1.18 O ATOM 1039 CB GLU A 68 -10.412 13.229 7.063 1.00 1.42 C ATOM 1040 CG GLU A 68 -10.843 14.609 7.609 1.00 1.26 C ATOM 1041 CD GLU A 68 -12.271 14.622 8.131 1.00 1.99 C ATOM 1042 OE1 GLU A 68 -12.474 14.286 9.318 1.00 2.25 O ATOM 1043 OE2 GLU A 68 -13.184 14.969 7.353 1.00 2.55 O ATOM 0 H GLU A 68 -9.891 11.182 5.082 1.00 1.31 H new ATOM 0 HA GLU A 68 -12.116 13.021 5.769 1.00 1.11 H new ATOM 0 HB2 GLU A 68 -10.667 12.469 7.801 1.00 1.42 H new ATOM 0 HB3 GLU A 68 -9.327 13.221 6.958 1.00 1.42 H new ATOM 0 HG2 GLU A 68 -10.166 14.904 8.411 1.00 1.26 H new ATOM 0 HG3 GLU A 68 -10.744 15.353 6.819 1.00 1.26 H new ATOM 1050 N ASP A 69 -9.334 14.345 4.672 1.00 0.76 N ATOM 1051 CA ASP A 69 -8.723 15.186 3.608 1.00 0.75 C ATOM 1052 C ASP A 69 -7.236 15.468 3.919 1.00 0.69 C ATOM 1053 O ASP A 69 -6.917 16.051 4.962 1.00 1.33 O ATOM 1054 CB ASP A 69 -9.472 16.536 3.485 1.00 1.17 C ATOM 1055 CG ASP A 69 -10.277 16.699 2.197 1.00 1.63 C ATOM 1056 OD1 ASP A 69 -10.693 15.670 1.630 1.00 2.06 O ATOM 1057 OD2 ASP A 69 -10.476 17.849 1.751 1.00 2.15 O ATOM 0 H ASP A 69 -8.786 14.309 5.532 1.00 0.76 H new ATOM 0 HA ASP A 69 -8.799 14.638 2.669 1.00 0.75 H new ATOM 0 HB2 ASP A 69 -10.146 16.642 4.335 1.00 1.17 H new ATOM 0 HB3 ASP A 69 -8.746 17.347 3.550 1.00 1.17 H new ATOM 1062 N SER A 70 -6.324 15.063 2.972 1.00 0.72 N ATOM 1063 CA SER A 70 -4.822 15.241 3.068 1.00 0.57 C ATOM 1064 C SER A 70 -4.180 14.489 4.270 1.00 0.53 C ATOM 1065 O SER A 70 -4.007 15.062 5.352 1.00 0.57 O ATOM 1066 CB SER A 70 -4.447 16.738 3.100 1.00 0.70 C ATOM 1067 OG SER A 70 -3.311 17.008 2.290 1.00 0.77 O ATOM 0 H SER A 70 -6.610 14.599 2.110 1.00 0.72 H new ATOM 0 HA SER A 70 -4.408 14.786 2.168 1.00 0.57 H new ATOM 0 HB2 SER A 70 -5.292 17.333 2.754 1.00 0.70 H new ATOM 0 HB3 SER A 70 -4.243 17.041 4.127 1.00 0.70 H new ATOM 0 HG SER A 70 -3.100 17.964 2.330 1.00 0.77 H new ATOM 1073 N PHE A 71 -3.840 13.207 4.059 1.00 0.49 N ATOM 1074 CA PHE A 71 -3.260 12.374 5.139 1.00 0.47 C ATOM 1075 C PHE A 71 -2.320 11.279 4.613 1.00 0.33 C ATOM 1076 O PHE A 71 -2.417 10.834 3.458 1.00 0.39 O ATOM 1077 CB PHE A 71 -4.368 11.759 6.053 1.00 0.66 C ATOM 1078 CG PHE A 71 -5.574 11.147 5.335 1.00 0.54 C ATOM 1079 CD1 PHE A 71 -6.605 11.945 4.835 1.00 0.75 C ATOM 1080 CD2 PHE A 71 -5.661 9.769 5.143 1.00 0.73 C ATOM 1081 CE1 PHE A 71 -7.683 11.380 4.173 1.00 0.81 C ATOM 1082 CE2 PHE A 71 -6.737 9.207 4.482 1.00 0.78 C ATOM 1083 CZ PHE A 71 -7.800 10.054 4.051 1.00 0.67 C ATOM 0 H PHE A 71 -3.952 12.725 3.167 1.00 0.49 H new ATOM 0 HA PHE A 71 -2.654 13.050 5.742 1.00 0.47 H new ATOM 0 HB2 PHE A 71 -3.911 10.988 6.674 1.00 0.66 H new ATOM 0 HB3 PHE A 71 -4.728 12.537 6.726 1.00 0.66 H new ATOM 0 HD1 PHE A 71 -6.562 13.016 4.966 1.00 0.75 H new ATOM 0 HD2 PHE A 71 -4.875 9.130 5.517 1.00 0.73 H new ATOM 0 HE1 PHE A 71 -8.441 12.021 3.749 1.00 0.81 H new ATOM 0 HE2 PHE A 71 -6.772 8.144 4.295 1.00 0.78 H new ATOM 0 HZ PHE A 71 -8.696 9.626 3.627 1.00 0.67 H new ATOM 1093 N GLY A 72 -1.392 10.866 5.489 1.00 0.31 N ATOM 1094 CA GLY A 72 -0.427 9.839 5.132 1.00 0.41 C ATOM 1095 C GLY A 72 0.458 9.351 6.275 1.00 0.33 C ATOM 1096 O GLY A 72 0.273 9.701 7.447 1.00 0.47 O ATOM 0 H GLY A 72 -1.297 11.228 6.438 1.00 0.31 H new ATOM 0 HA2 GLY A 72 -0.965 8.985 4.721 1.00 0.41 H new ATOM 0 HA3 GLY A 72 0.213 10.225 4.338 1.00 0.41 H new ATOM 1100 N TYR A 73 1.439 8.526 5.893 1.00 0.28 N ATOM 1101 CA TYR A 73 2.391 7.902 6.841 1.00 0.24 C ATOM 1102 C TYR A 73 3.850 8.424 6.725 1.00 0.21 C ATOM 1103 O TYR A 73 4.217 9.155 5.788 1.00 0.27 O ATOM 1104 CB TYR A 73 2.446 6.372 6.639 1.00 0.36 C ATOM 1105 CG TYR A 73 1.169 5.693 6.124 1.00 0.33 C ATOM 1106 CD1 TYR A 73 0.852 5.712 4.766 1.00 0.47 C ATOM 1107 CD2 TYR A 73 0.300 5.011 6.977 1.00 0.48 C ATOM 1108 CE1 TYR A 73 -0.278 5.088 4.283 1.00 0.63 C ATOM 1109 CE2 TYR A 73 -0.832 4.378 6.487 1.00 0.62 C ATOM 1110 CZ TYR A 73 -1.110 4.424 5.142 1.00 0.68 C ATOM 1111 OH TYR A 73 -2.228 3.798 4.648 1.00 0.89 O ATOM 0 H TYR A 73 1.602 8.267 4.920 1.00 0.28 H new ATOM 0 HA TYR A 73 2.005 8.174 7.824 1.00 0.24 H new ATOM 0 HB2 TYR A 73 3.253 6.151 5.941 1.00 0.36 H new ATOM 0 HB3 TYR A 73 2.714 5.914 7.591 1.00 0.36 H new ATOM 0 HD1 TYR A 73 1.506 6.227 4.078 1.00 0.47 H new ATOM 0 HD2 TYR A 73 0.513 4.976 8.035 1.00 0.48 H new ATOM 0 HE1 TYR A 73 -0.506 5.123 3.228 1.00 0.63 H new ATOM 0 HE2 TYR A 73 -1.493 3.851 7.160 1.00 0.62 H new ATOM 0 HH TYR A 73 -2.177 3.760 3.670 1.00 0.89 H new ATOM 1121 N ASP A 74 4.680 7.969 7.696 1.00 0.17 N ATOM 1122 CA ASP A 74 6.112 8.329 7.797 1.00 0.16 C ATOM 1123 C ASP A 74 7.014 7.074 7.950 1.00 0.15 C ATOM 1124 O ASP A 74 6.733 6.181 8.760 1.00 0.24 O ATOM 1125 CB ASP A 74 6.336 9.259 9.007 1.00 0.21 C ATOM 1126 CG ASP A 74 6.265 10.745 8.664 1.00 0.26 C ATOM 1127 OD1 ASP A 74 5.461 11.116 7.783 1.00 0.51 O ATOM 1128 OD2 ASP A 74 7.009 11.532 9.285 1.00 0.40 O ATOM 0 H ASP A 74 4.370 7.338 8.435 1.00 0.17 H new ATOM 0 HA ASP A 74 6.386 8.838 6.873 1.00 0.16 H new ATOM 0 HB2 ASP A 74 5.589 9.035 9.768 1.00 0.21 H new ATOM 0 HB3 ASP A 74 7.311 9.043 9.444 1.00 0.21 H new ATOM 1133 N ILE A 75 8.112 7.037 7.168 1.00 0.10 N ATOM 1134 CA ILE A 75 9.095 5.924 7.186 1.00 0.09 C ATOM 1135 C ILE A 75 10.528 6.496 7.464 1.00 0.08 C ATOM 1136 O ILE A 75 11.136 7.053 6.553 1.00 0.12 O ATOM 1137 CB ILE A 75 9.097 5.100 5.811 1.00 0.11 C ATOM 1138 CG1 ILE A 75 7.680 4.697 5.356 1.00 0.13 C ATOM 1139 CG2 ILE A 75 9.913 3.782 5.879 1.00 0.14 C ATOM 1140 CD1 ILE A 75 7.109 5.513 4.223 1.00 0.15 C ATOM 0 H ILE A 75 8.346 7.776 6.505 1.00 0.10 H new ATOM 0 HA ILE A 75 8.805 5.236 7.980 1.00 0.09 H new ATOM 0 HB ILE A 75 9.555 5.794 5.106 1.00 0.11 H new ATOM 0 HG12 ILE A 75 7.697 3.650 5.054 1.00 0.13 H new ATOM 0 HG13 ILE A 75 7.007 4.772 6.210 1.00 0.13 H new ATOM 0 HG21 ILE A 75 9.870 3.277 4.914 1.00 0.14 H new ATOM 0 HG22 ILE A 75 10.951 4.009 6.124 1.00 0.14 H new ATOM 0 HG23 ILE A 75 9.492 3.133 6.647 1.00 0.14 H new ATOM 0 HD11 ILE A 75 6.111 5.149 3.980 1.00 0.15 H new ATOM 0 HD12 ILE A 75 7.051 6.560 4.522 1.00 0.15 H new ATOM 0 HD13 ILE A 75 7.752 5.420 3.348 1.00 0.15 H new ATOM 1152 N PRO A 76 11.088 6.386 8.713 1.00 0.09 N ATOM 1153 CA PRO A 76 12.458 6.870 9.004 1.00 0.10 C ATOM 1154 C PRO A 76 13.594 5.853 8.664 1.00 0.09 C ATOM 1155 O PRO A 76 13.621 4.738 9.195 1.00 0.11 O ATOM 1156 CB PRO A 76 12.386 7.171 10.500 1.00 0.14 C ATOM 1157 CG PRO A 76 11.456 6.117 11.050 1.00 0.15 C ATOM 1158 CD PRO A 76 10.445 5.830 9.938 1.00 0.12 C ATOM 0 HA PRO A 76 12.726 7.726 8.384 1.00 0.10 H new ATOM 0 HB2 PRO A 76 13.370 7.114 10.965 1.00 0.14 H new ATOM 0 HB3 PRO A 76 12.003 8.175 10.686 1.00 0.14 H new ATOM 0 HG2 PRO A 76 12.005 5.215 11.322 1.00 0.15 H new ATOM 0 HG3 PRO A 76 10.955 6.470 11.952 1.00 0.15 H new ATOM 0 HD2 PRO A 76 10.254 4.762 9.838 1.00 0.12 H new ATOM 0 HD3 PRO A 76 9.486 6.308 10.137 1.00 0.12 H new ATOM 1166 N ILE A 77 14.513 6.264 7.767 1.00 0.09 N ATOM 1167 CA ILE A 77 15.650 5.413 7.322 1.00 0.10 C ATOM 1168 C ILE A 77 17.020 6.149 7.513 1.00 0.13 C ATOM 1169 O ILE A 77 17.094 7.379 7.643 1.00 0.19 O ATOM 1170 CB ILE A 77 15.492 4.947 5.803 1.00 0.12 C ATOM 1171 CG1 ILE A 77 14.007 4.798 5.398 1.00 0.11 C ATOM 1172 CG2 ILE A 77 16.187 3.570 5.498 1.00 0.18 C ATOM 1173 CD1 ILE A 77 13.445 5.845 4.468 1.00 0.19 C ATOM 0 H ILE A 77 14.494 7.186 7.330 1.00 0.09 H new ATOM 0 HA ILE A 77 15.636 4.523 7.952 1.00 0.10 H new ATOM 0 HB ILE A 77 15.978 5.736 5.229 1.00 0.12 H new ATOM 0 HG12 ILE A 77 13.880 3.823 4.928 1.00 0.11 H new ATOM 0 HG13 ILE A 77 13.406 4.794 6.307 1.00 0.11 H new ATOM 0 HG21 ILE A 77 16.041 3.313 4.449 1.00 0.18 H new ATOM 0 HG22 ILE A 77 17.254 3.647 5.708 1.00 0.18 H new ATOM 0 HG23 ILE A 77 15.749 2.794 6.126 1.00 0.18 H new ATOM 0 HD11 ILE A 77 12.397 5.625 4.263 1.00 0.19 H new ATOM 0 HD12 ILE A 77 13.525 6.827 4.935 1.00 0.19 H new ATOM 0 HD13 ILE A 77 14.006 5.841 3.534 1.00 0.19 H new ATOM 1185 N LYS A 78 18.091 5.342 7.512 1.00 0.15 N ATOM 1186 CA LYS A 78 19.481 5.808 7.658 1.00 0.20 C ATOM 1187 C LYS A 78 20.484 4.897 6.888 1.00 0.21 C ATOM 1188 O LYS A 78 21.687 4.928 7.174 1.00 0.25 O ATOM 1189 CB LYS A 78 19.879 5.858 9.153 1.00 0.27 C ATOM 1190 CG LYS A 78 19.418 7.132 9.903 1.00 0.87 C ATOM 1191 CD LYS A 78 19.537 7.020 11.446 1.00 1.32 C ATOM 1192 CE LYS A 78 20.987 6.798 11.924 1.00 1.91 C ATOM 1193 NZ LYS A 78 21.932 7.767 11.303 1.00 2.53 N ATOM 0 H LYS A 78 18.016 4.330 7.408 1.00 0.15 H new ATOM 0 HA LYS A 78 19.530 6.809 7.229 1.00 0.20 H new ATOM 0 HB2 LYS A 78 19.461 4.986 9.656 1.00 0.27 H new ATOM 0 HB3 LYS A 78 20.964 5.780 9.229 1.00 0.27 H new ATOM 0 HG2 LYS A 78 20.012 7.980 9.561 1.00 0.87 H new ATOM 0 HG3 LYS A 78 18.381 7.343 9.641 1.00 0.87 H new ATOM 0 HD2 LYS A 78 19.145 7.929 11.902 1.00 1.32 H new ATOM 0 HD3 LYS A 78 18.915 6.195 11.794 1.00 1.32 H new ATOM 0 HE2 LYS A 78 21.030 6.894 13.009 1.00 1.91 H new ATOM 0 HE3 LYS A 78 21.298 5.782 11.681 1.00 1.91 H new ATOM 0 HZ1 LYS A 78 22.858 7.698 11.772 1.00 2.53 H new ATOM 0 HZ2 LYS A 78 22.039 7.548 10.292 1.00 2.53 H new ATOM 0 HZ3 LYS A 78 21.560 8.732 11.411 1.00 2.53 H new ATOM 1207 N GLU A 79 19.992 4.095 5.902 1.00 0.19 N ATOM 1208 CA GLU A 79 20.842 3.190 5.117 1.00 0.22 C ATOM 1209 C GLU A 79 20.602 3.363 3.604 1.00 0.20 C ATOM 1210 O GLU A 79 19.547 3.852 3.170 1.00 0.18 O ATOM 1211 CB GLU A 79 20.569 1.737 5.546 1.00 0.24 C ATOM 1212 CG GLU A 79 21.161 1.362 6.915 1.00 0.55 C ATOM 1213 CD GLU A 79 20.763 -0.030 7.363 1.00 1.17 C ATOM 1214 OE1 GLU A 79 19.679 -0.172 7.968 1.00 2.12 O ATOM 1215 OE2 GLU A 79 21.534 -0.980 7.110 1.00 1.03 O ATOM 0 H GLU A 79 19.006 4.066 5.641 1.00 0.19 H new ATOM 0 HA GLU A 79 21.886 3.437 5.310 1.00 0.22 H new ATOM 0 HB2 GLU A 79 19.492 1.574 5.572 1.00 0.24 H new ATOM 0 HB3 GLU A 79 20.975 1.065 4.790 1.00 0.24 H new ATOM 0 HG2 GLU A 79 22.248 1.427 6.866 1.00 0.55 H new ATOM 0 HG3 GLU A 79 20.832 2.087 7.659 1.00 0.55 H new ATOM 1222 N GLU A 80 21.585 2.933 2.797 1.00 0.26 N ATOM 1223 CA GLU A 80 21.504 3.073 1.336 1.00 0.25 C ATOM 1224 C GLU A 80 21.539 1.737 0.570 1.00 0.27 C ATOM 1225 O GLU A 80 22.188 0.763 0.975 1.00 0.32 O ATOM 1226 CB GLU A 80 22.651 3.969 0.838 1.00 0.27 C ATOM 1227 CG GLU A 80 22.574 5.449 1.269 1.00 0.28 C ATOM 1228 CD GLU A 80 23.676 5.822 2.244 1.00 0.36 C ATOM 1229 OE1 GLU A 80 23.515 5.560 3.455 1.00 0.42 O ATOM 1230 OE2 GLU A 80 24.701 6.379 1.796 1.00 0.40 O ATOM 0 H GLU A 80 22.440 2.488 3.130 1.00 0.26 H new ATOM 0 HA GLU A 80 20.532 3.522 1.132 1.00 0.25 H new ATOM 0 HB2 GLU A 80 23.594 3.554 1.194 1.00 0.27 H new ATOM 0 HB3 GLU A 80 22.675 3.927 -0.251 1.00 0.27 H new ATOM 0 HG2 GLU A 80 22.641 6.086 0.387 1.00 0.28 H new ATOM 0 HG3 GLU A 80 21.605 5.642 1.729 1.00 0.28 H new ATOM 1237 N GLY A 81 20.829 1.744 -0.564 1.00 0.22 N ATOM 1238 CA GLY A 81 20.740 0.583 -1.452 1.00 0.23 C ATOM 1239 C GLY A 81 19.515 0.641 -2.362 1.00 0.19 C ATOM 1240 O GLY A 81 19.214 1.709 -2.919 1.00 0.18 O ATOM 0 H GLY A 81 20.301 2.554 -0.890 1.00 0.22 H new ATOM 0 HA2 GLY A 81 21.641 0.526 -2.063 1.00 0.23 H new ATOM 0 HA3 GLY A 81 20.702 -0.327 -0.853 1.00 0.23 H new ATOM 1244 N GLU A 82 18.796 -0.500 -2.552 1.00 0.20 N ATOM 1245 CA GLU A 82 17.591 -0.480 -3.395 1.00 0.17 C ATOM 1246 C GLU A 82 16.332 -0.779 -2.559 1.00 0.18 C ATOM 1247 O GLU A 82 16.071 -1.920 -2.196 1.00 0.30 O ATOM 1248 CB GLU A 82 17.717 -1.495 -4.548 1.00 0.19 C ATOM 1249 CG GLU A 82 18.882 -1.266 -5.536 1.00 0.26 C ATOM 1250 CD GLU A 82 18.825 0.074 -6.254 1.00 0.86 C ATOM 1251 OE1 GLU A 82 18.049 0.197 -7.225 1.00 0.78 O ATOM 1252 OE2 GLU A 82 19.558 0.998 -5.842 1.00 1.75 O ATOM 0 H GLU A 82 19.026 -1.407 -2.146 1.00 0.20 H new ATOM 0 HA GLU A 82 17.494 0.519 -3.819 1.00 0.17 H new ATOM 0 HB2 GLU A 82 17.824 -2.491 -4.117 1.00 0.19 H new ATOM 0 HB3 GLU A 82 16.784 -1.490 -5.112 1.00 0.19 H new ATOM 0 HG2 GLU A 82 19.825 -1.337 -4.994 1.00 0.26 H new ATOM 0 HG3 GLU A 82 18.880 -2.065 -6.277 1.00 0.26 H new ATOM 1259 N TYR A 83 15.522 0.259 -2.282 1.00 0.08 N ATOM 1260 CA TYR A 83 14.297 0.097 -1.470 1.00 0.08 C ATOM 1261 C TYR A 83 13.053 0.005 -2.358 1.00 0.08 C ATOM 1262 O TYR A 83 12.849 0.820 -3.247 1.00 0.12 O ATOM 1263 CB TYR A 83 14.153 1.236 -0.444 1.00 0.10 C ATOM 1264 CG TYR A 83 15.198 1.193 0.682 1.00 0.11 C ATOM 1265 CD1 TYR A 83 16.505 1.649 0.486 1.00 0.16 C ATOM 1266 CD2 TYR A 83 14.874 0.700 1.947 1.00 0.17 C ATOM 1267 CE1 TYR A 83 17.435 1.611 1.507 1.00 0.18 C ATOM 1268 CE2 TYR A 83 15.801 0.665 2.965 1.00 0.19 C ATOM 1269 CZ TYR A 83 17.112 1.109 2.708 1.00 0.16 C ATOM 1270 OH TYR A 83 18.005 1.096 3.753 1.00 0.21 O ATOM 0 H TYR A 83 15.689 1.212 -2.604 1.00 0.08 H new ATOM 0 HA TYR A 83 14.389 -0.840 -0.921 1.00 0.08 H new ATOM 0 HB2 TYR A 83 14.231 2.192 -0.963 1.00 0.10 H new ATOM 0 HB3 TYR A 83 13.157 1.192 -0.004 1.00 0.10 H new ATOM 0 HD1 TYR A 83 16.793 2.038 -0.480 1.00 0.16 H new ATOM 0 HD2 TYR A 83 13.873 0.338 2.132 1.00 0.17 H new ATOM 0 HE1 TYR A 83 18.432 1.989 1.336 1.00 0.18 H new ATOM 0 HE2 TYR A 83 15.527 0.303 3.945 1.00 0.19 H new ATOM 0 HH TYR A 83 17.582 0.692 4.540 1.00 0.21 H new ATOM 1280 N VAL A 84 12.227 -1.013 -2.103 1.00 0.08 N ATOM 1281 CA VAL A 84 11.016 -1.265 -2.930 1.00 0.10 C ATOM 1282 C VAL A 84 9.728 -1.029 -2.103 1.00 0.10 C ATOM 1283 O VAL A 84 9.493 -1.668 -1.072 1.00 0.10 O ATOM 1284 CB VAL A 84 10.962 -2.721 -3.628 1.00 0.11 C ATOM 1285 CG1 VAL A 84 10.250 -2.685 -5.004 1.00 0.13 C ATOM 1286 CG2 VAL A 84 12.340 -3.381 -3.855 1.00 0.20 C ATOM 0 H VAL A 84 12.362 -1.677 -1.341 1.00 0.08 H new ATOM 0 HA VAL A 84 11.080 -0.546 -3.746 1.00 0.10 H new ATOM 0 HB VAL A 84 10.404 -3.317 -2.906 1.00 0.11 H new ATOM 0 HG11 VAL A 84 10.239 -3.687 -5.434 1.00 0.13 H new ATOM 0 HG12 VAL A 84 9.226 -2.334 -4.875 1.00 0.13 H new ATOM 0 HG13 VAL A 84 10.784 -2.009 -5.672 1.00 0.13 H new ATOM 0 HG21 VAL A 84 12.204 -4.354 -4.328 1.00 0.20 H new ATOM 0 HG22 VAL A 84 12.946 -2.745 -4.501 1.00 0.20 H new ATOM 0 HG23 VAL A 84 12.844 -3.510 -2.897 1.00 0.20 H new ATOM 1296 N LEU A 85 8.903 -0.103 -2.616 1.00 0.12 N ATOM 1297 CA LEU A 85 7.626 0.261 -1.999 1.00 0.15 C ATOM 1298 C LEU A 85 6.448 -0.254 -2.859 1.00 0.16 C ATOM 1299 O LEU A 85 6.132 0.298 -3.919 1.00 0.21 O ATOM 1300 CB LEU A 85 7.593 1.803 -1.800 1.00 0.25 C ATOM 1301 CG LEU A 85 6.427 2.413 -0.957 1.00 0.43 C ATOM 1302 CD1 LEU A 85 6.940 3.470 0.021 1.00 0.78 C ATOM 1303 CD2 LEU A 85 5.358 3.052 -1.843 1.00 0.61 C ATOM 0 H LEU A 85 9.107 0.413 -3.472 1.00 0.12 H new ATOM 0 HA LEU A 85 7.523 -0.211 -1.022 1.00 0.15 H new ATOM 0 HB2 LEU A 85 8.532 2.099 -1.333 1.00 0.25 H new ATOM 0 HB3 LEU A 85 7.568 2.266 -2.787 1.00 0.25 H new ATOM 0 HG LEU A 85 5.986 1.584 -0.404 1.00 0.43 H new ATOM 0 HD11 LEU A 85 6.104 3.874 0.592 1.00 0.78 H new ATOM 0 HD12 LEU A 85 7.659 3.016 0.703 1.00 0.78 H new ATOM 0 HD13 LEU A 85 7.423 4.274 -0.533 1.00 0.78 H new ATOM 0 HD21 LEU A 85 4.566 3.464 -1.218 1.00 0.61 H new ATOM 0 HD22 LEU A 85 5.806 3.851 -2.435 1.00 0.61 H new ATOM 0 HD23 LEU A 85 4.939 2.298 -2.509 1.00 0.61 H new ATOM 1315 N VAL A 86 5.816 -1.335 -2.363 1.00 0.17 N ATOM 1316 CA VAL A 86 4.656 -1.994 -3.032 1.00 0.21 C ATOM 1317 C VAL A 86 3.382 -1.755 -2.174 1.00 0.21 C ATOM 1318 O VAL A 86 3.374 -2.002 -0.960 1.00 0.27 O ATOM 1319 CB VAL A 86 4.811 -3.582 -3.297 1.00 0.25 C ATOM 1320 CG1 VAL A 86 4.094 -4.030 -4.599 1.00 0.44 C ATOM 1321 CG2 VAL A 86 6.273 -4.106 -3.364 1.00 0.32 C ATOM 0 H VAL A 86 6.088 -1.783 -1.488 1.00 0.17 H new ATOM 0 HA VAL A 86 4.593 -1.538 -4.020 1.00 0.21 H new ATOM 0 HB VAL A 86 4.341 -4.019 -2.416 1.00 0.25 H new ATOM 0 HG11 VAL A 86 4.225 -5.103 -4.736 1.00 0.44 H new ATOM 0 HG12 VAL A 86 3.031 -3.801 -4.526 1.00 0.44 H new ATOM 0 HG13 VAL A 86 4.522 -3.501 -5.451 1.00 0.44 H new ATOM 0 HG21 VAL A 86 6.266 -5.181 -3.545 1.00 0.32 H new ATOM 0 HG22 VAL A 86 6.802 -3.605 -4.174 1.00 0.32 H new ATOM 0 HG23 VAL A 86 6.777 -3.900 -2.420 1.00 0.32 H new ATOM 1331 N LEU A 87 2.317 -1.286 -2.831 1.00 0.20 N ATOM 1332 CA LEU A 87 1.043 -1.008 -2.135 1.00 0.22 C ATOM 1333 C LEU A 87 -0.173 -1.626 -2.837 1.00 0.22 C ATOM 1334 O LEU A 87 -0.281 -1.601 -4.076 1.00 0.26 O ATOM 1335 CB LEU A 87 0.769 0.527 -1.961 1.00 0.31 C ATOM 1336 CG LEU A 87 1.603 1.544 -2.808 1.00 0.50 C ATOM 1337 CD1 LEU A 87 1.205 1.556 -4.286 1.00 1.25 C ATOM 1338 CD2 LEU A 87 1.463 2.959 -2.247 1.00 0.88 C ATOM 0 H LEU A 87 2.304 -1.091 -3.832 1.00 0.20 H new ATOM 0 HA LEU A 87 1.169 -1.472 -1.157 1.00 0.22 H new ATOM 0 HB2 LEU A 87 -0.284 0.701 -2.181 1.00 0.31 H new ATOM 0 HB3 LEU A 87 0.920 0.772 -0.910 1.00 0.31 H new ATOM 0 HG LEU A 87 2.639 1.212 -2.741 1.00 0.50 H new ATOM 0 HD11 LEU A 87 1.818 2.281 -4.822 1.00 1.25 H new ATOM 0 HD12 LEU A 87 1.359 0.565 -4.712 1.00 1.25 H new ATOM 0 HD13 LEU A 87 0.154 1.831 -4.378 1.00 1.25 H new ATOM 0 HD21 LEU A 87 2.051 3.650 -2.851 1.00 0.88 H new ATOM 0 HD22 LEU A 87 0.415 3.258 -2.271 1.00 0.88 H new ATOM 0 HD23 LEU A 87 1.823 2.980 -1.218 1.00 0.88 H new ATOM 1350 N LYS A 88 -1.104 -2.173 -2.020 1.00 0.23 N ATOM 1351 CA LYS A 88 -2.365 -2.737 -2.553 1.00 0.26 C ATOM 1352 C LYS A 88 -3.542 -1.791 -2.244 1.00 0.27 C ATOM 1353 O LYS A 88 -3.881 -1.529 -1.091 1.00 0.29 O ATOM 1354 CB LYS A 88 -2.635 -4.189 -2.027 1.00 0.31 C ATOM 1355 CG LYS A 88 -3.894 -4.921 -2.589 1.00 0.46 C ATOM 1356 CD LYS A 88 -5.222 -4.435 -1.972 1.00 1.53 C ATOM 1357 CE LYS A 88 -6.436 -5.166 -2.561 1.00 2.13 C ATOM 1358 NZ LYS A 88 -6.943 -4.494 -3.777 1.00 2.52 N ATOM 0 H LYS A 88 -1.008 -2.235 -1.006 1.00 0.23 H new ATOM 0 HA LYS A 88 -2.263 -2.820 -3.635 1.00 0.26 H new ATOM 0 HB2 LYS A 88 -1.760 -4.799 -2.251 1.00 0.31 H new ATOM 0 HB3 LYS A 88 -2.724 -4.145 -0.942 1.00 0.31 H new ATOM 0 HG2 LYS A 88 -3.933 -4.781 -3.669 1.00 0.46 H new ATOM 0 HG3 LYS A 88 -3.791 -5.991 -2.410 1.00 0.46 H new ATOM 0 HD2 LYS A 88 -5.197 -4.587 -0.893 1.00 1.53 H new ATOM 0 HD3 LYS A 88 -5.328 -3.363 -2.140 1.00 1.53 H new ATOM 0 HE2 LYS A 88 -6.161 -6.193 -2.801 1.00 2.13 H new ATOM 0 HE3 LYS A 88 -7.229 -5.214 -1.815 1.00 2.13 H new ATOM 0 HZ1 LYS A 88 -7.907 -4.827 -3.981 1.00 2.52 H new ATOM 0 HZ2 LYS A 88 -6.957 -3.465 -3.625 1.00 2.52 H new ATOM 0 HZ3 LYS A 88 -6.322 -4.717 -4.581 1.00 2.52 H new ATOM 1372 N PHE A 89 -4.166 -1.306 -3.320 1.00 0.27 N ATOM 1373 CA PHE A 89 -5.332 -0.422 -3.236 1.00 0.29 C ATOM 1374 C PHE A 89 -6.608 -1.210 -3.630 1.00 0.31 C ATOM 1375 O PHE A 89 -6.618 -1.956 -4.632 1.00 0.32 O ATOM 1376 CB PHE A 89 -5.159 0.772 -4.201 1.00 0.30 C ATOM 1377 CG PHE A 89 -4.338 1.949 -3.672 1.00 0.28 C ATOM 1378 CD1 PHE A 89 -4.776 2.666 -2.561 1.00 0.36 C ATOM 1379 CD2 PHE A 89 -3.142 2.358 -4.288 1.00 0.25 C ATOM 1380 CE1 PHE A 89 -4.062 3.746 -2.080 1.00 0.40 C ATOM 1381 CE2 PHE A 89 -2.431 3.435 -3.797 1.00 0.26 C ATOM 1382 CZ PHE A 89 -2.888 4.127 -2.701 1.00 0.31 C ATOM 0 H PHE A 89 -3.877 -1.515 -4.276 1.00 0.27 H new ATOM 0 HA PHE A 89 -5.424 -0.053 -2.215 1.00 0.29 H new ATOM 0 HB2 PHE A 89 -4.690 0.409 -5.115 1.00 0.30 H new ATOM 0 HB3 PHE A 89 -6.148 1.139 -4.474 1.00 0.30 H new ATOM 0 HD1 PHE A 89 -5.690 2.372 -2.067 1.00 0.36 H new ATOM 0 HD2 PHE A 89 -2.776 1.825 -5.153 1.00 0.25 H new ATOM 0 HE1 PHE A 89 -4.421 4.292 -1.220 1.00 0.40 H new ATOM 0 HE2 PHE A 89 -1.511 3.735 -4.277 1.00 0.26 H new ATOM 0 HZ PHE A 89 -2.328 4.970 -2.324 1.00 0.31 H new ATOM 1392 N ALA A 90 -7.683 -1.043 -2.822 1.00 0.33 N ATOM 1393 CA ALA A 90 -8.990 -1.750 -3.040 1.00 0.36 C ATOM 1394 C ALA A 90 -10.204 -0.772 -2.922 1.00 0.39 C ATOM 1395 O ALA A 90 -10.176 0.201 -2.132 1.00 0.37 O ATOM 1396 CB ALA A 90 -9.185 -2.935 -2.041 1.00 0.41 C ATOM 0 H ALA A 90 -7.681 -0.426 -2.010 1.00 0.33 H new ATOM 0 HA ALA A 90 -8.953 -2.148 -4.054 1.00 0.36 H new ATOM 0 HB1 ALA A 90 -10.143 -3.419 -2.233 1.00 0.41 H new ATOM 0 HB2 ALA A 90 -8.380 -3.658 -2.173 1.00 0.41 H new ATOM 0 HB3 ALA A 90 -9.169 -2.556 -1.019 1.00 0.41 H new ATOM 1402 N GLU A 91 -11.268 -1.044 -3.722 1.00 0.46 N ATOM 1403 CA GLU A 91 -12.504 -0.241 -3.715 1.00 0.53 C ATOM 1404 C GLU A 91 -13.744 -1.148 -3.827 1.00 0.63 C ATOM 1405 O GLU A 91 -14.010 -1.728 -4.888 1.00 1.23 O ATOM 1406 CB GLU A 91 -12.497 0.778 -4.875 1.00 0.78 C ATOM 1407 CG GLU A 91 -13.531 1.911 -4.751 1.00 1.80 C ATOM 1408 CD GLU A 91 -13.573 2.799 -5.981 1.00 2.04 C ATOM 1409 OE1 GLU A 91 -14.050 2.331 -7.037 1.00 1.94 O ATOM 1410 OE2 GLU A 91 -13.130 3.963 -5.888 1.00 2.61 O ATOM 0 H GLU A 91 -11.287 -1.821 -4.382 1.00 0.46 H new ATOM 0 HA GLU A 91 -12.547 0.299 -2.769 1.00 0.53 H new ATOM 0 HB2 GLU A 91 -11.503 1.220 -4.945 1.00 0.78 H new ATOM 0 HB3 GLU A 91 -12.675 0.244 -5.809 1.00 0.78 H new ATOM 0 HG2 GLU A 91 -14.518 1.480 -4.584 1.00 1.80 H new ATOM 0 HG3 GLU A 91 -13.296 2.518 -3.877 1.00 1.80 H new ATOM 1417 N VAL A 92 -14.497 -1.261 -2.720 1.00 0.60 N ATOM 1418 CA VAL A 92 -15.731 -2.102 -2.675 1.00 0.76 C ATOM 1419 C VAL A 92 -16.921 -1.340 -2.016 1.00 0.66 C ATOM 1420 O VAL A 92 -17.351 -1.667 -0.903 1.00 1.19 O ATOM 1421 CB VAL A 92 -15.561 -3.559 -2.003 1.00 1.42 C ATOM 1422 CG1 VAL A 92 -15.208 -4.623 -3.062 1.00 2.13 C ATOM 1423 CG2 VAL A 92 -14.523 -3.655 -0.837 1.00 2.00 C ATOM 0 H VAL A 92 -14.284 -0.787 -1.842 1.00 0.60 H new ATOM 0 HA VAL A 92 -15.949 -2.295 -3.725 1.00 0.76 H new ATOM 0 HB VAL A 92 -16.538 -3.747 -1.559 1.00 1.42 H new ATOM 0 HG11 VAL A 92 -15.100 -5.594 -2.580 1.00 2.13 H new ATOM 0 HG12 VAL A 92 -16.003 -4.674 -3.806 1.00 2.13 H new ATOM 0 HG13 VAL A 92 -14.271 -4.354 -3.550 1.00 2.13 H new ATOM 0 HG21 VAL A 92 -14.491 -4.678 -0.461 1.00 2.00 H new ATOM 0 HG22 VAL A 92 -13.536 -3.373 -1.204 1.00 2.00 H new ATOM 0 HG23 VAL A 92 -14.817 -2.982 -0.032 1.00 2.00 H new ATOM 1433 N TYR A 93 -17.435 -0.318 -2.729 1.00 0.76 N ATOM 1434 CA TYR A 93 -18.568 0.507 -2.253 1.00 0.80 C ATOM 1435 C TYR A 93 -19.223 1.302 -3.404 1.00 0.86 C ATOM 1436 O TYR A 93 -20.442 1.233 -3.585 1.00 1.46 O ATOM 1437 CB TYR A 93 -18.116 1.485 -1.143 1.00 1.23 C ATOM 1438 CG TYR A 93 -19.083 1.583 0.049 1.00 0.97 C ATOM 1439 CD1 TYR A 93 -20.141 2.499 0.049 1.00 1.01 C ATOM 1440 CD2 TYR A 93 -18.932 0.767 1.177 1.00 1.14 C ATOM 1441 CE1 TYR A 93 -21.007 2.594 1.127 1.00 1.43 C ATOM 1442 CE2 TYR A 93 -19.799 0.864 2.254 1.00 1.47 C ATOM 1443 CZ TYR A 93 -20.852 1.747 2.206 1.00 1.67 C ATOM 1444 OH TYR A 93 -21.689 1.879 3.291 1.00 2.27 O ATOM 0 H TYR A 93 -17.081 -0.041 -3.645 1.00 0.76 H new ATOM 0 HA TYR A 93 -19.308 -0.182 -1.845 1.00 0.80 H new ATOM 0 HB2 TYR A 93 -17.138 1.173 -0.777 1.00 1.23 H new ATOM 0 HB3 TYR A 93 -17.992 2.477 -1.578 1.00 1.23 H new ATOM 0 HD1 TYR A 93 -20.285 3.143 -0.806 1.00 1.01 H new ATOM 0 HD2 TYR A 93 -18.126 0.049 1.208 1.00 1.14 H new ATOM 0 HE1 TYR A 93 -21.800 3.328 1.123 1.00 1.43 H new ATOM 0 HE2 TYR A 93 -19.648 0.248 3.128 1.00 1.47 H new ATOM 0 HH TYR A 93 -21.455 1.210 3.968 1.00 2.27 H new ATOM 1454 N PHE A 94 -18.405 2.056 -4.179 1.00 0.78 N ATOM 1455 CA PHE A 94 -18.896 2.868 -5.309 1.00 0.82 C ATOM 1456 C PHE A 94 -18.266 2.418 -6.640 1.00 0.76 C ATOM 1457 O PHE A 94 -17.041 2.286 -6.753 1.00 0.79 O ATOM 1458 CB PHE A 94 -18.584 4.363 -5.085 1.00 1.01 C ATOM 1459 CG PHE A 94 -19.217 4.966 -3.832 1.00 1.11 C ATOM 1460 CD1 PHE A 94 -20.581 5.273 -3.781 1.00 1.31 C ATOM 1461 CD2 PHE A 94 -18.441 5.226 -2.702 1.00 1.13 C ATOM 1462 CE1 PHE A 94 -21.146 5.820 -2.638 1.00 1.46 C ATOM 1463 CE2 PHE A 94 -19.006 5.772 -1.559 1.00 1.23 C ATOM 1464 CZ PHE A 94 -20.396 6.071 -1.547 1.00 1.37 C ATOM 0 H PHE A 94 -17.397 2.115 -4.037 1.00 0.78 H new ATOM 0 HA PHE A 94 -19.975 2.724 -5.362 1.00 0.82 H new ATOM 0 HB2 PHE A 94 -17.503 4.490 -5.027 1.00 1.01 H new ATOM 0 HB3 PHE A 94 -18.924 4.926 -5.954 1.00 1.01 H new ATOM 0 HD1 PHE A 94 -21.203 5.082 -4.643 1.00 1.31 H new ATOM 0 HD2 PHE A 94 -17.385 4.999 -2.718 1.00 1.13 H new ATOM 0 HE1 PHE A 94 -22.202 6.048 -2.622 1.00 1.46 H new ATOM 0 HE2 PHE A 94 -18.397 5.968 -0.689 1.00 1.23 H new ATOM 0 HZ PHE A 94 -20.850 6.498 -0.665 1.00 1.37 H new ATOM 1474 N ALA A 95 -19.130 2.197 -7.664 1.00 0.73 N ATOM 1475 CA ALA A 95 -18.686 1.753 -9.006 1.00 0.73 C ATOM 1476 C ALA A 95 -18.713 2.917 -10.044 1.00 0.72 C ATOM 1477 O ALA A 95 -19.781 3.383 -10.492 1.00 0.84 O ATOM 1478 CB ALA A 95 -19.529 0.536 -9.477 1.00 0.82 C ATOM 0 H ALA A 95 -20.139 2.320 -7.583 1.00 0.73 H new ATOM 0 HA ALA A 95 -17.646 1.435 -8.930 1.00 0.73 H new ATOM 0 HB1 ALA A 95 -19.192 0.220 -10.464 1.00 0.82 H new ATOM 0 HB2 ALA A 95 -19.407 -0.286 -8.772 1.00 0.82 H new ATOM 0 HB3 ALA A 95 -20.581 0.819 -9.526 1.00 0.82 H new ATOM 1484 N GLN A 96 -17.505 3.423 -10.371 1.00 0.65 N ATOM 1485 CA GLN A 96 -17.338 4.527 -11.344 1.00 0.66 C ATOM 1486 C GLN A 96 -15.888 4.623 -11.874 1.00 0.58 C ATOM 1487 O GLN A 96 -14.919 4.384 -11.140 1.00 0.53 O ATOM 1488 CB GLN A 96 -17.747 5.880 -10.705 1.00 0.72 C ATOM 1489 CG GLN A 96 -18.292 6.938 -11.690 1.00 1.40 C ATOM 1490 CD GLN A 96 -19.708 6.641 -12.161 1.00 1.85 C ATOM 1491 OE1 GLN A 96 -20.682 7.065 -11.539 1.00 2.38 O ATOM 1492 NE2 GLN A 96 -19.828 5.913 -13.265 1.00 2.45 N ATOM 0 H GLN A 96 -16.628 3.084 -9.975 1.00 0.65 H new ATOM 0 HA GLN A 96 -17.991 4.307 -12.189 1.00 0.66 H new ATOM 0 HB2 GLN A 96 -18.506 5.690 -9.946 1.00 0.72 H new ATOM 0 HB3 GLN A 96 -16.880 6.297 -10.192 1.00 0.72 H new ATOM 0 HG2 GLN A 96 -18.273 7.917 -11.210 1.00 1.40 H new ATOM 0 HG3 GLN A 96 -17.632 6.994 -12.555 1.00 1.40 H new ATOM 0 HE21 GLN A 96 -18.994 5.581 -13.750 1.00 2.45 H new ATOM 0 HE22 GLN A 96 -20.754 5.686 -13.628 1.00 2.45 H new ATOM 1501 N SER A 97 -15.761 5.005 -13.160 1.00 0.64 N ATOM 1502 CA SER A 97 -14.453 5.154 -13.831 1.00 0.62 C ATOM 1503 C SER A 97 -14.275 6.549 -14.453 1.00 0.81 C ATOM 1504 O SER A 97 -15.087 6.989 -15.277 1.00 1.66 O ATOM 1505 CB SER A 97 -14.289 4.096 -14.927 1.00 0.68 C ATOM 1506 OG SER A 97 -13.956 2.828 -14.388 1.00 0.73 O ATOM 0 H SER A 97 -16.557 5.218 -13.761 1.00 0.64 H new ATOM 0 HA SER A 97 -13.690 5.021 -13.064 1.00 0.62 H new ATOM 0 HB2 SER A 97 -15.214 4.017 -15.497 1.00 0.68 H new ATOM 0 HB3 SER A 97 -13.511 4.411 -15.623 1.00 0.68 H new ATOM 0 HG SER A 97 -13.861 2.178 -15.115 1.00 0.73 H new ATOM 1512 N GLN A 98 -13.173 7.236 -14.036 1.00 0.55 N ATOM 1513 CA GLN A 98 -12.782 8.627 -14.476 1.00 0.54 C ATOM 1514 C GLN A 98 -13.705 9.733 -13.875 1.00 0.56 C ATOM 1515 O GLN A 98 -14.281 10.562 -14.589 1.00 0.67 O ATOM 1516 CB GLN A 98 -12.703 8.758 -16.022 1.00 0.62 C ATOM 1517 CG GLN A 98 -11.639 7.870 -16.686 1.00 1.06 C ATOM 1518 CD GLN A 98 -11.378 8.262 -18.127 1.00 1.14 C ATOM 1519 OE1 GLN A 98 -12.023 7.760 -19.047 1.00 1.89 O ATOM 1520 NE2 GLN A 98 -10.423 9.164 -18.328 1.00 1.60 N ATOM 0 H GLN A 98 -12.511 6.838 -13.370 1.00 0.55 H new ATOM 0 HA GLN A 98 -11.781 8.787 -14.077 1.00 0.54 H new ATOM 0 HB2 GLN A 98 -13.677 8.512 -16.444 1.00 0.62 H new ATOM 0 HB3 GLN A 98 -12.499 9.798 -16.275 1.00 0.62 H new ATOM 0 HG2 GLN A 98 -10.710 7.936 -16.120 1.00 1.06 H new ATOM 0 HG3 GLN A 98 -11.962 6.830 -16.648 1.00 1.06 H new ATOM 0 HE21 GLN A 98 -9.914 9.553 -17.534 1.00 1.60 H new ATOM 0 HE22 GLN A 98 -10.199 9.467 -19.276 1.00 1.60 H new ATOM 1529 N GLN A 99 -13.813 9.698 -12.541 1.00 0.53 N ATOM 1530 CA GLN A 99 -14.642 10.622 -11.744 1.00 0.58 C ATOM 1531 C GLN A 99 -14.041 10.774 -10.332 1.00 0.57 C ATOM 1532 O GLN A 99 -14.006 11.878 -9.783 1.00 0.62 O ATOM 1533 CB GLN A 99 -16.096 10.105 -11.645 1.00 0.61 C ATOM 1534 CG GLN A 99 -17.149 11.191 -11.365 1.00 1.18 C ATOM 1535 CD GLN A 99 -18.532 10.612 -11.129 1.00 1.71 C ATOM 1536 OE1 GLN A 99 -18.905 10.309 -9.996 1.00 2.56 O ATOM 1537 NE2 GLN A 99 -19.298 10.450 -12.203 1.00 2.02 N ATOM 0 H GLN A 99 -13.317 9.013 -11.970 1.00 0.53 H new ATOM 0 HA GLN A 99 -14.655 11.593 -12.239 1.00 0.58 H new ATOM 0 HB2 GLN A 99 -16.352 9.602 -12.578 1.00 0.61 H new ATOM 0 HB3 GLN A 99 -16.148 9.356 -10.854 1.00 0.61 H new ATOM 0 HG2 GLN A 99 -16.847 11.769 -10.492 1.00 1.18 H new ATOM 0 HG3 GLN A 99 -17.187 11.882 -12.207 1.00 1.18 H new ATOM 0 HE21 GLN A 99 -18.948 10.715 -13.124 1.00 2.02 H new ATOM 0 HE22 GLN A 99 -20.236 10.061 -12.107 1.00 2.02 H new ATOM 1546 N LYS A 100 -13.568 9.636 -9.754 1.00 0.53 N ATOM 1547 CA LYS A 100 -12.916 9.614 -8.436 1.00 0.55 C ATOM 1548 C LYS A 100 -11.409 9.360 -8.634 1.00 0.48 C ATOM 1549 O LYS A 100 -10.911 8.239 -8.486 1.00 0.49 O ATOM 1550 CB LYS A 100 -13.549 8.537 -7.530 1.00 0.64 C ATOM 1551 CG LYS A 100 -15.000 8.846 -7.097 1.00 1.11 C ATOM 1552 CD LYS A 100 -15.606 7.733 -6.216 1.00 1.52 C ATOM 1553 CE LYS A 100 -17.041 8.069 -5.769 1.00 2.14 C ATOM 1554 NZ LYS A 100 -17.089 9.318 -4.959 1.00 2.76 N ATOM 0 H LYS A 100 -13.633 8.718 -10.194 1.00 0.53 H new ATOM 0 HA LYS A 100 -13.057 10.574 -7.940 1.00 0.55 H new ATOM 0 HB2 LYS A 100 -13.534 7.582 -8.055 1.00 0.64 H new ATOM 0 HB3 LYS A 100 -12.933 8.420 -6.639 1.00 0.64 H new ATOM 0 HG2 LYS A 100 -15.019 9.788 -6.550 1.00 1.11 H new ATOM 0 HG3 LYS A 100 -15.619 8.980 -7.984 1.00 1.11 H new ATOM 0 HD2 LYS A 100 -15.609 6.794 -6.769 1.00 1.52 H new ATOM 0 HD3 LYS A 100 -14.978 7.584 -5.338 1.00 1.52 H new ATOM 0 HE2 LYS A 100 -17.679 8.180 -6.646 1.00 2.14 H new ATOM 0 HE3 LYS A 100 -17.443 7.241 -5.185 1.00 2.14 H new ATOM 0 HZ1 LYS A 100 -18.023 9.404 -4.509 1.00 2.76 H new ATOM 0 HZ2 LYS A 100 -16.353 9.285 -4.225 1.00 2.76 H new ATOM 0 HZ3 LYS A 100 -16.926 10.139 -5.576 1.00 2.76 H new ATOM 1568 N VAL A 101 -10.705 10.453 -8.971 1.00 0.45 N ATOM 1569 CA VAL A 101 -9.248 10.435 -9.274 1.00 0.40 C ATOM 1570 C VAL A 101 -8.432 11.122 -8.144 1.00 0.41 C ATOM 1571 O VAL A 101 -8.631 12.300 -7.827 1.00 0.47 O ATOM 1572 CB VAL A 101 -8.869 11.030 -10.721 1.00 0.38 C ATOM 1573 CG1 VAL A 101 -8.869 9.922 -11.795 1.00 0.69 C ATOM 1574 CG2 VAL A 101 -9.767 12.198 -11.234 1.00 0.68 C ATOM 0 H VAL A 101 -11.123 11.381 -9.044 1.00 0.45 H new ATOM 0 HA VAL A 101 -8.969 9.382 -9.315 1.00 0.40 H new ATOM 0 HB VAL A 101 -7.873 11.446 -10.566 1.00 0.38 H new ATOM 0 HG11 VAL A 101 -8.610 10.353 -12.762 1.00 0.69 H new ATOM 0 HG12 VAL A 101 -8.138 9.158 -11.530 1.00 0.69 H new ATOM 0 HG13 VAL A 101 -9.860 9.471 -11.853 1.00 0.69 H new ATOM 0 HG21 VAL A 101 -9.420 12.519 -12.216 1.00 0.68 H new ATOM 0 HG22 VAL A 101 -10.800 11.858 -11.307 1.00 0.68 H new ATOM 0 HG23 VAL A 101 -9.709 13.034 -10.538 1.00 0.68 H new ATOM 1584 N PHE A 102 -7.502 10.341 -7.569 1.00 0.39 N ATOM 1585 CA PHE A 102 -6.678 10.766 -6.408 1.00 0.40 C ATOM 1586 C PHE A 102 -5.189 11.025 -6.708 1.00 0.38 C ATOM 1587 O PHE A 102 -4.671 10.610 -7.724 1.00 0.41 O ATOM 1588 CB PHE A 102 -6.749 9.640 -5.377 1.00 0.42 C ATOM 1589 CG PHE A 102 -8.175 9.269 -4.942 1.00 0.49 C ATOM 1590 CD1 PHE A 102 -9.024 10.224 -4.383 1.00 0.60 C ATOM 1591 CD2 PHE A 102 -8.682 7.976 -5.135 1.00 0.60 C ATOM 1592 CE1 PHE A 102 -10.325 9.903 -4.031 1.00 0.67 C ATOM 1593 CE2 PHE A 102 -9.983 7.658 -4.772 1.00 0.70 C ATOM 1594 CZ PHE A 102 -10.802 8.622 -4.223 1.00 0.69 C ATOM 0 H PHE A 102 -7.295 9.396 -7.891 1.00 0.39 H new ATOM 0 HA PHE A 102 -7.085 11.719 -6.072 1.00 0.40 H new ATOM 0 HB2 PHE A 102 -6.266 8.754 -5.790 1.00 0.42 H new ATOM 0 HB3 PHE A 102 -6.178 9.933 -4.496 1.00 0.42 H new ATOM 0 HD1 PHE A 102 -8.662 11.229 -4.222 1.00 0.60 H new ATOM 0 HD2 PHE A 102 -8.051 7.217 -5.572 1.00 0.60 H new ATOM 0 HE1 PHE A 102 -10.969 10.658 -3.605 1.00 0.67 H new ATOM 0 HE2 PHE A 102 -10.354 6.655 -4.920 1.00 0.70 H new ATOM 0 HZ PHE A 102 -11.816 8.375 -3.944 1.00 0.69 H new ATOM 1604 N ASP A 103 -4.481 11.693 -5.767 1.00 0.36 N ATOM 1605 CA ASP A 103 -3.029 11.961 -5.943 1.00 0.34 C ATOM 1606 C ASP A 103 -2.203 11.226 -4.872 1.00 0.32 C ATOM 1607 O ASP A 103 -2.538 11.249 -3.686 1.00 0.34 O ATOM 1608 CB ASP A 103 -2.683 13.465 -5.918 1.00 0.37 C ATOM 1609 CG ASP A 103 -3.150 14.241 -7.151 1.00 0.85 C ATOM 1610 OD1 ASP A 103 -4.367 14.233 -7.433 1.00 1.30 O ATOM 1611 OD2 ASP A 103 -2.296 14.855 -7.825 1.00 1.33 O ATOM 0 H ASP A 103 -4.877 12.050 -4.897 1.00 0.36 H new ATOM 0 HA ASP A 103 -2.772 11.584 -6.933 1.00 0.34 H new ATOM 0 HB2 ASP A 103 -3.130 13.914 -5.031 1.00 0.37 H new ATOM 0 HB3 ASP A 103 -1.603 13.575 -5.822 1.00 0.37 H new ATOM 1616 N VAL A 104 -1.099 10.596 -5.311 1.00 0.29 N ATOM 1617 CA VAL A 104 -0.223 9.794 -4.423 1.00 0.28 C ATOM 1618 C VAL A 104 1.294 10.220 -4.631 1.00 0.26 C ATOM 1619 O VAL A 104 1.825 10.178 -5.763 1.00 0.25 O ATOM 1620 CB VAL A 104 -0.586 8.217 -4.631 1.00 0.33 C ATOM 1621 CG1 VAL A 104 0.558 7.212 -4.420 1.00 0.31 C ATOM 1622 CG2 VAL A 104 -1.729 7.780 -3.694 1.00 0.48 C ATOM 0 H VAL A 104 -0.786 10.624 -6.282 1.00 0.29 H new ATOM 0 HA VAL A 104 -0.397 9.989 -3.365 1.00 0.28 H new ATOM 0 HB VAL A 104 -0.858 8.182 -5.686 1.00 0.33 H new ATOM 0 HG11 VAL A 104 0.189 6.200 -4.587 1.00 0.31 H new ATOM 0 HG12 VAL A 104 1.364 7.425 -5.122 1.00 0.31 H new ATOM 0 HG13 VAL A 104 0.934 7.297 -3.400 1.00 0.31 H new ATOM 0 HG21 VAL A 104 -1.949 6.725 -3.856 1.00 0.48 H new ATOM 0 HG22 VAL A 104 -1.429 7.934 -2.658 1.00 0.48 H new ATOM 0 HG23 VAL A 104 -2.619 8.372 -3.905 1.00 0.48 H new ATOM 1632 N ARG A 105 1.962 10.558 -3.488 1.00 0.26 N ATOM 1633 CA ARG A 105 3.372 11.054 -3.472 1.00 0.26 C ATOM 1634 C ARG A 105 4.350 10.272 -2.548 1.00 0.23 C ATOM 1635 O ARG A 105 3.948 9.736 -1.506 1.00 0.26 O ATOM 1636 CB ARG A 105 3.390 12.514 -2.973 1.00 0.33 C ATOM 1637 CG ARG A 105 2.376 13.456 -3.645 1.00 0.53 C ATOM 1638 CD ARG A 105 2.598 14.925 -3.251 1.00 0.51 C ATOM 1639 NE ARG A 105 1.431 15.735 -3.566 1.00 0.92 N ATOM 1640 CZ ARG A 105 1.477 17.030 -3.892 1.00 1.25 C ATOM 1641 NH1 ARG A 105 2.631 17.688 -3.887 1.00 1.15 N ATOM 1642 NH2 ARG A 105 0.362 17.674 -4.208 1.00 1.69 N ATOM 0 H ARG A 105 1.542 10.495 -2.560 1.00 0.26 H new ATOM 0 HA ARG A 105 3.715 10.927 -4.499 1.00 0.26 H new ATOM 0 HB2 ARG A 105 3.204 12.515 -1.899 1.00 0.33 H new ATOM 0 HB3 ARG A 105 4.391 12.919 -3.124 1.00 0.33 H new ATOM 0 HG2 ARG A 105 2.453 13.357 -4.728 1.00 0.53 H new ATOM 0 HG3 ARG A 105 1.365 13.156 -3.368 1.00 0.53 H new ATOM 0 HD2 ARG A 105 2.812 14.990 -2.184 1.00 0.51 H new ATOM 0 HD3 ARG A 105 3.469 15.318 -3.776 1.00 0.51 H new ATOM 0 HE ARG A 105 0.517 15.284 -3.536 1.00 0.92 H new ATOM 0 HH11 ARG A 105 3.493 17.205 -3.633 1.00 1.15 H new ATOM 0 HH12 ARG A 105 2.656 18.676 -4.137 1.00 1.15 H new ATOM 0 HH21 ARG A 105 -0.531 17.181 -4.202 1.00 1.69 H new ATOM 0 HH22 ARG A 105 0.397 18.663 -4.457 1.00 1.69 H new ATOM 1656 N VAL A 106 5.667 10.274 -2.935 1.00 0.23 N ATOM 1657 CA VAL A 106 6.769 9.617 -2.138 1.00 0.23 C ATOM 1658 C VAL A 106 7.965 10.588 -1.825 1.00 0.22 C ATOM 1659 O VAL A 106 8.727 10.963 -2.721 1.00 0.23 O ATOM 1660 CB VAL A 106 7.340 8.235 -2.729 1.00 0.29 C ATOM 1661 CG1 VAL A 106 6.434 7.041 -2.377 1.00 0.57 C ATOM 1662 CG2 VAL A 106 7.611 8.226 -4.258 1.00 0.60 C ATOM 0 H VAL A 106 5.994 10.721 -3.791 1.00 0.23 H new ATOM 0 HA VAL A 106 6.255 9.360 -1.212 1.00 0.23 H new ATOM 0 HB VAL A 106 8.309 8.136 -2.240 1.00 0.29 H new ATOM 0 HG11 VAL A 106 6.857 6.128 -2.796 1.00 0.57 H new ATOM 0 HG12 VAL A 106 6.363 6.945 -1.294 1.00 0.57 H new ATOM 0 HG13 VAL A 106 5.440 7.204 -2.792 1.00 0.57 H new ATOM 0 HG21 VAL A 106 7.993 7.249 -4.554 1.00 0.60 H new ATOM 0 HG22 VAL A 106 6.684 8.430 -4.793 1.00 0.60 H new ATOM 0 HG23 VAL A 106 8.347 8.993 -4.502 1.00 0.60 H new ATOM 1672 N ASN A 107 8.107 10.978 -0.512 1.00 0.23 N ATOM 1673 CA ASN A 107 9.165 11.922 0.048 1.00 0.23 C ATOM 1674 C ASN A 107 9.101 13.372 -0.528 1.00 0.24 C ATOM 1675 O ASN A 107 10.111 14.086 -0.555 1.00 0.25 O ATOM 1676 CB ASN A 107 10.590 11.353 -0.154 1.00 0.23 C ATOM 1677 CG ASN A 107 11.477 11.423 1.086 1.00 0.27 C ATOM 1678 OD1 ASN A 107 12.280 10.529 1.341 1.00 1.05 O ATOM 1679 ND2 ASN A 107 11.353 12.507 1.842 1.00 1.12 N ATOM 0 H ASN A 107 7.475 10.639 0.213 1.00 0.23 H new ATOM 0 HA ASN A 107 8.937 11.994 1.111 1.00 0.23 H new ATOM 0 HB2 ASN A 107 10.512 10.313 -0.472 1.00 0.23 H new ATOM 0 HB3 ASN A 107 11.075 11.898 -0.964 1.00 0.23 H new ATOM 0 HD21 ASN A 107 11.937 12.621 2.670 1.00 1.12 H new ATOM 0 HD22 ASN A 107 10.673 13.226 1.595 1.00 1.12 H new ATOM 1686 N GLY A 108 7.904 13.789 -0.966 1.00 0.25 N ATOM 1687 CA GLY A 108 7.740 15.092 -1.582 1.00 0.29 C ATOM 1688 C GLY A 108 7.502 15.028 -3.110 1.00 0.29 C ATOM 1689 O GLY A 108 6.956 15.963 -3.700 1.00 0.32 O ATOM 0 H GLY A 108 7.047 13.239 -0.901 1.00 0.25 H new ATOM 0 HA2 GLY A 108 6.900 15.604 -1.113 1.00 0.29 H new ATOM 0 HA3 GLY A 108 8.628 15.692 -1.386 1.00 0.29 H new ATOM 1693 N HIS A 109 7.931 13.892 -3.736 1.00 0.27 N ATOM 1694 CA HIS A 109 7.814 13.604 -5.178 1.00 0.28 C ATOM 1695 C HIS A 109 6.414 13.090 -5.612 1.00 0.30 C ATOM 1696 O HIS A 109 5.647 12.607 -4.791 1.00 0.57 O ATOM 1697 CB HIS A 109 8.822 12.490 -5.465 1.00 0.29 C ATOM 1698 CG HIS A 109 10.264 12.890 -5.357 1.00 0.31 C ATOM 1699 ND1 HIS A 109 10.988 13.394 -6.414 1.00 0.43 N ATOM 1700 CD2 HIS A 109 11.122 12.836 -4.304 1.00 0.27 C ATOM 1701 CE1 HIS A 109 12.226 13.630 -6.022 1.00 0.46 C ATOM 1702 NE2 HIS A 109 12.332 13.302 -4.746 1.00 0.36 N ATOM 0 H HIS A 109 8.381 13.134 -3.223 1.00 0.27 H new ATOM 0 HA HIS A 109 7.989 14.530 -5.725 1.00 0.28 H new ATOM 0 HB2 HIS A 109 8.637 11.668 -4.774 1.00 0.29 H new ATOM 0 HB3 HIS A 109 8.642 12.109 -6.470 1.00 0.29 H new ATOM 0 HD1 HIS A 109 10.625 13.559 -7.353 1.00 0.43 H new ATOM 0 HD2 HIS A 109 10.893 12.491 -3.307 1.00 0.27 H new ATOM 0 HE1 HIS A 109 13.019 14.025 -6.640 1.00 0.46 H new ATOM 1711 N THR A 110 6.098 13.188 -6.918 1.00 0.31 N ATOM 1712 CA THR A 110 4.803 12.676 -7.444 1.00 0.32 C ATOM 1713 C THR A 110 5.015 11.442 -8.333 1.00 0.35 C ATOM 1714 O THR A 110 5.866 11.437 -9.232 1.00 0.47 O ATOM 1715 CB THR A 110 3.932 13.703 -8.248 1.00 0.43 C ATOM 1716 OG1 THR A 110 4.708 14.807 -8.752 1.00 0.55 O ATOM 1717 CG2 THR A 110 2.757 14.236 -7.419 1.00 0.47 C ATOM 0 H THR A 110 6.705 13.608 -7.622 1.00 0.31 H new ATOM 0 HA THR A 110 4.247 12.436 -6.538 1.00 0.32 H new ATOM 0 HB THR A 110 3.536 13.148 -9.098 1.00 0.43 H new ATOM 0 HG1 THR A 110 4.195 15.637 -8.658 1.00 0.55 H new ATOM 0 HG21 THR A 110 2.182 14.944 -8.016 1.00 0.47 H new ATOM 0 HG22 THR A 110 2.115 13.406 -7.122 1.00 0.47 H new ATOM 0 HG23 THR A 110 3.137 14.737 -6.529 1.00 0.47 H new ATOM 1725 N VAL A 111 4.208 10.410 -8.076 1.00 0.29 N ATOM 1726 CA VAL A 111 4.312 9.133 -8.824 1.00 0.35 C ATOM 1727 C VAL A 111 2.984 8.717 -9.509 1.00 0.35 C ATOM 1728 O VAL A 111 2.943 8.596 -10.736 1.00 0.39 O ATOM 1729 CB VAL A 111 4.909 7.910 -7.990 1.00 0.38 C ATOM 1730 CG1 VAL A 111 6.449 7.881 -8.078 1.00 1.06 C ATOM 1731 CG2 VAL A 111 4.477 7.829 -6.490 1.00 1.00 C ATOM 0 H VAL A 111 3.478 10.422 -7.364 1.00 0.29 H new ATOM 0 HA VAL A 111 5.043 9.363 -9.599 1.00 0.35 H new ATOM 0 HB VAL A 111 4.471 7.034 -8.469 1.00 0.38 H new ATOM 0 HG11 VAL A 111 6.831 7.038 -7.501 1.00 1.06 H new ATOM 0 HG12 VAL A 111 6.752 7.775 -9.120 1.00 1.06 H new ATOM 0 HG13 VAL A 111 6.854 8.809 -7.675 1.00 1.06 H new ATOM 0 HG21 VAL A 111 4.942 6.960 -6.024 1.00 1.00 H new ATOM 0 HG22 VAL A 111 4.794 8.733 -5.971 1.00 1.00 H new ATOM 0 HG23 VAL A 111 3.393 7.737 -6.428 1.00 1.00 H new ATOM 1741 N VAL A 112 1.907 8.500 -8.715 1.00 0.33 N ATOM 1742 CA VAL A 112 0.595 8.100 -9.292 1.00 0.35 C ATOM 1743 C VAL A 112 -0.420 9.225 -9.006 1.00 0.34 C ATOM 1744 O VAL A 112 -1.126 9.208 -7.994 1.00 0.32 O ATOM 1745 CB VAL A 112 -0.011 6.678 -8.809 1.00 0.37 C ATOM 1746 CG1 VAL A 112 -0.635 5.899 -9.994 1.00 0.44 C ATOM 1747 CG2 VAL A 112 0.991 5.725 -8.108 1.00 0.40 C ATOM 0 H VAL A 112 1.915 8.591 -7.699 1.00 0.33 H new ATOM 0 HA VAL A 112 0.779 7.953 -10.356 1.00 0.35 H new ATOM 0 HB VAL A 112 -0.758 6.968 -8.070 1.00 0.37 H new ATOM 0 HG11 VAL A 112 -1.033 4.949 -9.636 1.00 0.44 H new ATOM 0 HG12 VAL A 112 -1.441 6.488 -10.432 1.00 0.44 H new ATOM 0 HG13 VAL A 112 0.129 5.711 -10.749 1.00 0.44 H new ATOM 0 HG21 VAL A 112 0.481 4.804 -7.827 1.00 0.40 H new ATOM 0 HG22 VAL A 112 1.810 5.493 -8.789 1.00 0.40 H new ATOM 0 HG23 VAL A 112 1.388 6.207 -7.215 1.00 0.40 H new ATOM 1757 N LYS A 113 -0.479 10.193 -9.943 1.00 0.36 N ATOM 1758 CA LYS A 113 -1.392 11.324 -9.838 1.00 0.38 C ATOM 1759 C LYS A 113 -2.545 11.212 -10.842 1.00 0.43 C ATOM 1760 O LYS A 113 -2.442 11.540 -12.028 1.00 0.70 O ATOM 1761 CB LYS A 113 -0.648 12.673 -9.945 1.00 0.42 C ATOM 1762 CG LYS A 113 0.122 12.911 -11.278 1.00 1.12 C ATOM 1763 CD LYS A 113 0.034 14.375 -11.772 1.00 1.27 C ATOM 1764 CE LYS A 113 0.724 15.367 -10.819 1.00 1.50 C ATOM 1765 NZ LYS A 113 2.182 15.092 -10.702 1.00 2.30 N ATOM 0 H LYS A 113 0.103 10.204 -10.781 1.00 0.36 H new ATOM 0 HA LYS A 113 -1.837 11.294 -8.843 1.00 0.38 H new ATOM 0 HB2 LYS A 113 -1.371 13.478 -9.815 1.00 0.42 H new ATOM 0 HB3 LYS A 113 0.060 12.744 -9.119 1.00 0.42 H new ATOM 0 HG2 LYS A 113 1.169 12.642 -11.140 1.00 1.12 H new ATOM 0 HG3 LYS A 113 -0.278 12.249 -12.046 1.00 1.12 H new ATOM 0 HD2 LYS A 113 0.490 14.449 -12.759 1.00 1.27 H new ATOM 0 HD3 LYS A 113 -1.014 14.654 -11.884 1.00 1.27 H new ATOM 0 HE2 LYS A 113 0.573 16.384 -11.180 1.00 1.50 H new ATOM 0 HE3 LYS A 113 0.262 15.307 -9.834 1.00 1.50 H new ATOM 0 HZ1 LYS A 113 2.611 15.769 -10.039 1.00 2.30 H new ATOM 0 HZ2 LYS A 113 2.326 14.124 -10.350 1.00 2.30 H new ATOM 0 HZ3 LYS A 113 2.630 15.191 -11.635 1.00 2.30 H new ATOM 1779 N ASP A 114 -3.620 10.686 -10.260 1.00 0.37 N ATOM 1780 CA ASP A 114 -4.953 10.369 -10.848 1.00 0.42 C ATOM 1781 C ASP A 114 -5.205 8.866 -10.656 1.00 0.38 C ATOM 1782 O ASP A 114 -5.099 8.074 -11.599 1.00 0.40 O ATOM 1783 CB ASP A 114 -5.177 10.772 -12.337 1.00 0.50 C ATOM 1784 CG ASP A 114 -5.700 12.198 -12.507 1.00 1.70 C ATOM 1785 OD1 ASP A 114 -4.997 13.142 -12.089 1.00 2.09 O ATOM 1786 OD2 ASP A 114 -6.810 12.363 -13.056 1.00 2.48 O ATOM 0 H ASP A 114 -3.595 10.441 -9.270 1.00 0.37 H new ATOM 0 HA ASP A 114 -5.671 10.991 -10.314 1.00 0.42 H new ATOM 0 HB2 ASP A 114 -4.237 10.671 -12.879 1.00 0.50 H new ATOM 0 HB3 ASP A 114 -5.883 10.077 -12.792 1.00 0.50 H new ATOM 1791 N LEU A 115 -5.533 8.485 -9.396 1.00 0.36 N ATOM 1792 CA LEU A 115 -5.766 7.087 -9.039 1.00 0.36 C ATOM 1793 C LEU A 115 -7.252 6.714 -9.007 1.00 0.38 C ATOM 1794 O LEU A 115 -7.999 7.103 -8.102 1.00 0.42 O ATOM 1795 CB LEU A 115 -5.100 6.701 -7.692 1.00 0.38 C ATOM 1796 CG LEU A 115 -4.083 5.505 -7.720 1.00 0.35 C ATOM 1797 CD1 LEU A 115 -3.267 5.447 -6.453 1.00 1.13 C ATOM 1798 CD2 LEU A 115 -4.748 4.143 -7.938 1.00 1.06 C ATOM 0 H LEU A 115 -5.639 9.137 -8.619 1.00 0.36 H new ATOM 0 HA LEU A 115 -5.295 6.513 -9.837 1.00 0.36 H new ATOM 0 HB2 LEU A 115 -4.581 7.579 -7.306 1.00 0.38 H new ATOM 0 HB3 LEU A 115 -5.889 6.459 -6.980 1.00 0.38 H new ATOM 0 HG LEU A 115 -3.437 5.704 -8.575 1.00 0.35 H new ATOM 0 HD11 LEU A 115 -2.573 4.608 -6.505 1.00 1.13 H new ATOM 0 HD12 LEU A 115 -2.706 6.375 -6.338 1.00 1.13 H new ATOM 0 HD13 LEU A 115 -3.931 5.316 -5.598 1.00 1.13 H new ATOM 0 HD21 LEU A 115 -3.986 3.363 -7.946 1.00 1.06 H new ATOM 0 HD22 LEU A 115 -5.456 3.950 -7.132 1.00 1.06 H new ATOM 0 HD23 LEU A 115 -5.276 4.144 -8.892 1.00 1.06 H new ATOM 1810 N ASP A 116 -7.648 5.990 -10.060 1.00 0.39 N ATOM 1811 CA ASP A 116 -8.994 5.439 -10.208 1.00 0.43 C ATOM 1812 C ASP A 116 -8.851 3.898 -10.235 1.00 0.42 C ATOM 1813 O ASP A 116 -8.469 3.310 -11.255 1.00 0.43 O ATOM 1814 CB ASP A 116 -9.680 5.974 -11.484 1.00 0.46 C ATOM 1815 CG ASP A 116 -11.166 6.272 -11.287 1.00 1.55 C ATOM 1816 OD1 ASP A 116 -11.934 5.318 -11.045 1.00 2.35 O ATOM 1817 OD2 ASP A 116 -11.555 7.456 -11.375 1.00 1.83 O ATOM 0 H ASP A 116 -7.032 5.769 -10.842 1.00 0.39 H new ATOM 0 HA ASP A 116 -9.631 5.744 -9.377 1.00 0.43 H new ATOM 0 HB2 ASP A 116 -9.173 6.883 -11.808 1.00 0.46 H new ATOM 0 HB3 ASP A 116 -9.565 5.243 -12.284 1.00 0.46 H new ATOM 1822 N ILE A 117 -9.178 3.268 -9.082 1.00 0.42 N ATOM 1823 CA ILE A 117 -9.056 1.789 -8.843 1.00 0.42 C ATOM 1824 C ILE A 117 -10.016 0.901 -9.744 1.00 0.44 C ATOM 1825 O ILE A 117 -9.634 -0.211 -10.136 1.00 0.44 O ATOM 1826 CB ILE A 117 -9.246 1.470 -7.286 1.00 0.43 C ATOM 1827 CG1 ILE A 117 -8.636 2.609 -6.394 1.00 0.55 C ATOM 1828 CG2 ILE A 117 -8.599 0.112 -6.853 1.00 0.49 C ATOM 1829 CD1 ILE A 117 -9.631 3.521 -5.673 1.00 0.68 C ATOM 0 H ILE A 117 -9.541 3.771 -8.272 1.00 0.42 H new ATOM 0 HA ILE A 117 -8.049 1.507 -9.151 1.00 0.42 H new ATOM 0 HB ILE A 117 -10.324 1.403 -7.136 1.00 0.43 H new ATOM 0 HG12 ILE A 117 -7.992 2.148 -5.645 1.00 0.55 H new ATOM 0 HG13 ILE A 117 -7.999 3.230 -7.023 1.00 0.55 H new ATOM 0 HG21 ILE A 117 -8.763 -0.045 -5.787 1.00 0.49 H new ATOM 0 HG22 ILE A 117 -9.055 -0.704 -7.414 1.00 0.49 H new ATOM 0 HG23 ILE A 117 -7.528 0.138 -7.056 1.00 0.49 H new ATOM 0 HD11 ILE A 117 -9.087 4.265 -5.091 1.00 0.68 H new ATOM 0 HD12 ILE A 117 -10.261 4.024 -6.407 1.00 0.68 H new ATOM 0 HD13 ILE A 117 -10.255 2.925 -5.007 1.00 0.68 H new ATOM 1841 N PHE A 118 -11.217 1.433 -10.108 1.00 0.48 N ATOM 1842 CA PHE A 118 -12.207 0.727 -10.975 1.00 0.51 C ATOM 1843 C PHE A 118 -11.775 0.704 -12.483 1.00 0.53 C ATOM 1844 O PHE A 118 -11.923 -0.318 -13.155 1.00 0.56 O ATOM 1845 CB PHE A 118 -13.588 1.398 -10.826 1.00 0.56 C ATOM 1846 CG PHE A 118 -14.772 0.518 -11.232 1.00 0.62 C ATOM 1847 CD1 PHE A 118 -15.328 -0.388 -10.329 1.00 0.65 C ATOM 1848 CD2 PHE A 118 -15.325 0.599 -12.513 1.00 0.68 C ATOM 1849 CE1 PHE A 118 -16.399 -1.188 -10.694 1.00 0.72 C ATOM 1850 CE2 PHE A 118 -16.395 -0.200 -12.877 1.00 0.75 C ATOM 1851 CZ PHE A 118 -16.933 -1.093 -11.968 1.00 0.77 C ATOM 0 H PHE A 118 -11.526 2.359 -9.811 1.00 0.48 H new ATOM 0 HA PHE A 118 -12.257 -0.311 -10.645 1.00 0.51 H new ATOM 0 HB2 PHE A 118 -13.719 1.703 -9.788 1.00 0.56 H new ATOM 0 HB3 PHE A 118 -13.603 2.306 -11.430 1.00 0.56 H new ATOM 0 HD1 PHE A 118 -14.919 -0.467 -9.333 1.00 0.65 H new ATOM 0 HD2 PHE A 118 -14.912 1.294 -13.229 1.00 0.68 H new ATOM 0 HE1 PHE A 118 -16.818 -1.886 -9.984 1.00 0.72 H new ATOM 0 HE2 PHE A 118 -16.810 -0.126 -13.871 1.00 0.75 H new ATOM 0 HZ PHE A 118 -17.769 -1.716 -12.252 1.00 0.77 H new ATOM 1861 N ASP A 119 -11.223 1.849 -12.984 1.00 0.52 N ATOM 1862 CA ASP A 119 -10.692 1.992 -14.377 1.00 0.54 C ATOM 1863 C ASP A 119 -9.315 1.255 -14.604 1.00 0.53 C ATOM 1864 O ASP A 119 -9.000 0.882 -15.737 1.00 0.57 O ATOM 1865 CB ASP A 119 -10.558 3.495 -14.726 1.00 0.55 C ATOM 1866 CG ASP A 119 -10.878 3.845 -16.188 1.00 0.57 C ATOM 1867 OD1 ASP A 119 -11.723 3.150 -16.789 1.00 0.72 O ATOM 1868 OD2 ASP A 119 -10.289 4.810 -16.722 1.00 0.91 O ATOM 0 H ASP A 119 -11.133 2.702 -12.432 1.00 0.52 H new ATOM 0 HA ASP A 119 -11.408 1.509 -15.042 1.00 0.54 H new ATOM 0 HB2 ASP A 119 -11.222 4.066 -14.076 1.00 0.55 H new ATOM 0 HB3 ASP A 119 -9.540 3.816 -14.504 1.00 0.55 H new ATOM 1873 N ARG A 120 -8.514 1.063 -13.513 1.00 0.49 N ATOM 1874 CA ARG A 120 -7.195 0.373 -13.572 1.00 0.48 C ATOM 1875 C ARG A 120 -7.305 -1.181 -13.627 1.00 0.50 C ATOM 1876 O ARG A 120 -6.780 -1.789 -14.564 1.00 0.54 O ATOM 1877 CB ARG A 120 -6.322 0.777 -12.370 1.00 0.46 C ATOM 1878 CG ARG A 120 -5.775 2.231 -12.403 1.00 0.45 C ATOM 1879 CD ARG A 120 -4.548 2.407 -13.318 1.00 0.52 C ATOM 1880 NE ARG A 120 -4.043 3.778 -13.280 1.00 1.23 N ATOM 1881 CZ ARG A 120 -3.055 4.224 -14.052 1.00 1.49 C ATOM 1882 NH1 ARG A 120 -2.470 3.412 -14.923 1.00 1.03 N ATOM 1883 NH2 ARG A 120 -2.652 5.483 -13.953 1.00 2.43 N ATOM 0 H ARG A 120 -8.765 1.381 -12.577 1.00 0.49 H new ATOM 0 HA ARG A 120 -6.733 0.695 -14.505 1.00 0.48 H new ATOM 0 HB2 ARG A 120 -6.906 0.647 -11.459 1.00 0.46 H new ATOM 0 HB3 ARG A 120 -5.478 0.090 -12.309 1.00 0.46 H new ATOM 0 HG2 ARG A 120 -6.567 2.901 -12.738 1.00 0.45 H new ATOM 0 HG3 ARG A 120 -5.509 2.533 -11.390 1.00 0.45 H new ATOM 0 HD2 ARG A 120 -3.761 1.720 -13.009 1.00 0.52 H new ATOM 0 HD3 ARG A 120 -4.816 2.145 -14.342 1.00 0.52 H new ATOM 0 HE ARG A 120 -4.472 4.430 -12.624 1.00 1.23 H new ATOM 0 HH11 ARG A 120 -2.777 2.443 -15.002 1.00 1.03 H new ATOM 0 HH12 ARG A 120 -1.713 3.757 -15.513 1.00 1.03 H new ATOM 0 HH21 ARG A 120 -3.099 6.111 -13.285 1.00 2.43 H new ATOM 0 HH22 ARG A 120 -1.895 5.824 -14.545 1.00 2.43 H new ATOM 1897 N VAL A 121 -7.982 -1.821 -12.634 1.00 0.48 N ATOM 1898 CA VAL A 121 -8.151 -3.319 -12.646 1.00 0.51 C ATOM 1899 C VAL A 121 -9.522 -3.818 -13.231 1.00 0.56 C ATOM 1900 O VAL A 121 -9.557 -4.870 -13.876 1.00 0.62 O ATOM 1901 CB VAL A 121 -7.856 -4.070 -11.257 1.00 0.53 C ATOM 1902 CG1 VAL A 121 -6.355 -4.381 -11.105 1.00 0.92 C ATOM 1903 CG2 VAL A 121 -8.347 -3.332 -9.974 1.00 0.93 C ATOM 0 H VAL A 121 -8.410 -1.351 -11.836 1.00 0.48 H new ATOM 0 HA VAL A 121 -7.357 -3.606 -13.335 1.00 0.51 H new ATOM 0 HB VAL A 121 -8.445 -4.984 -11.327 1.00 0.53 H new ATOM 0 HG11 VAL A 121 -6.183 -4.889 -10.156 1.00 0.92 H new ATOM 0 HG12 VAL A 121 -6.032 -5.023 -11.924 1.00 0.92 H new ATOM 0 HG13 VAL A 121 -5.787 -3.451 -11.127 1.00 0.92 H new ATOM 0 HG21 VAL A 121 -8.097 -3.926 -9.095 1.00 0.93 H new ATOM 0 HG22 VAL A 121 -7.860 -2.359 -9.905 1.00 0.93 H new ATOM 0 HG23 VAL A 121 -9.427 -3.195 -10.024 1.00 0.93 H new ATOM 1913 N GLY A 122 -10.626 -3.068 -13.005 1.00 0.57 N ATOM 1914 CA GLY A 122 -11.942 -3.474 -13.512 1.00 0.63 C ATOM 1915 C GLY A 122 -13.006 -3.536 -12.421 1.00 0.66 C ATOM 1916 O GLY A 122 -13.380 -2.508 -11.848 1.00 0.85 O ATOM 0 H GLY A 122 -10.625 -2.192 -12.482 1.00 0.57 H new ATOM 0 HA2 GLY A 122 -12.260 -2.773 -14.283 1.00 0.63 H new ATOM 0 HA3 GLY A 122 -11.857 -4.452 -13.986 1.00 0.63 H new ATOM 1920 N HIS A 123 -13.502 -4.755 -12.141 1.00 0.72 N ATOM 1921 CA HIS A 123 -14.511 -4.969 -11.091 1.00 0.87 C ATOM 1922 C HIS A 123 -13.932 -5.841 -9.959 1.00 0.73 C ATOM 1923 O HIS A 123 -13.751 -7.053 -10.120 1.00 1.34 O ATOM 1924 CB HIS A 123 -15.770 -5.627 -11.699 1.00 1.38 C ATOM 1925 CG HIS A 123 -17.028 -5.449 -10.887 1.00 1.76 C ATOM 1926 ND1 HIS A 123 -17.925 -4.425 -11.108 1.00 2.62 N ATOM 1927 CD2 HIS A 123 -17.535 -6.173 -9.858 1.00 2.27 C ATOM 1928 CE1 HIS A 123 -18.926 -4.524 -10.251 1.00 3.18 C ATOM 1929 NE2 HIS A 123 -18.713 -5.576 -9.483 1.00 3.01 N ATOM 0 H HIS A 123 -13.220 -5.606 -12.628 1.00 0.72 H new ATOM 0 HA HIS A 123 -14.792 -4.005 -10.666 1.00 0.87 H new ATOM 0 HB2 HIS A 123 -15.935 -5.214 -12.694 1.00 1.38 H new ATOM 0 HB3 HIS A 123 -15.582 -6.693 -11.824 1.00 1.38 H new ATOM 0 HD2 HIS A 123 -17.094 -7.054 -9.416 1.00 2.27 H new ATOM 0 HE1 HIS A 123 -19.774 -3.858 -10.190 1.00 3.18 H new ATOM 0 HE2 HIS A 123 -19.325 -5.894 -8.732 1.00 3.01 H new ATOM 1938 N SER A 124 -13.647 -5.179 -8.799 1.00 0.86 N ATOM 1939 CA SER A 124 -13.068 -5.802 -7.558 1.00 0.70 C ATOM 1940 C SER A 124 -11.569 -6.255 -7.726 1.00 0.99 C ATOM 1941 O SER A 124 -10.786 -5.553 -8.371 1.00 2.08 O ATOM 1942 CB SER A 124 -13.974 -6.958 -7.056 1.00 0.73 C ATOM 1943 OG SER A 124 -14.021 -7.009 -5.636 1.00 1.20 O ATOM 0 H SER A 124 -13.815 -4.178 -8.693 1.00 0.86 H new ATOM 0 HA SER A 124 -13.047 -5.025 -6.794 1.00 0.70 H new ATOM 0 HB2 SER A 124 -14.982 -6.828 -7.449 1.00 0.73 H new ATOM 0 HB3 SER A 124 -13.601 -7.907 -7.442 1.00 0.73 H new ATOM 0 HG SER A 124 -14.601 -7.747 -5.354 1.00 1.20 H new ATOM 1949 N THR A 125 -11.184 -7.416 -7.093 1.00 0.56 N ATOM 1950 CA THR A 125 -9.795 -8.053 -7.140 1.00 0.51 C ATOM 1951 C THR A 125 -8.678 -7.194 -6.428 1.00 0.48 C ATOM 1952 O THR A 125 -8.988 -6.359 -5.567 1.00 0.51 O ATOM 1953 CB THR A 125 -9.315 -8.526 -8.600 1.00 0.55 C ATOM 1954 OG1 THR A 125 -9.038 -7.421 -9.485 1.00 0.62 O ATOM 1955 CG2 THR A 125 -10.316 -9.470 -9.316 1.00 0.62 C ATOM 0 H THR A 125 -11.836 -7.954 -6.522 1.00 0.56 H new ATOM 0 HA THR A 125 -9.928 -8.964 -6.557 1.00 0.51 H new ATOM 0 HB THR A 125 -8.397 -9.077 -8.396 1.00 0.55 H new ATOM 0 HG1 THR A 125 -9.588 -6.651 -9.229 1.00 0.62 H new ATOM 0 HG21 THR A 125 -9.921 -9.745 -10.294 1.00 0.62 H new ATOM 0 HG22 THR A 125 -10.460 -10.369 -8.717 1.00 0.62 H new ATOM 0 HG23 THR A 125 -11.271 -8.960 -9.441 1.00 0.62 H new ATOM 1963 N ALA A 126 -7.379 -7.425 -6.775 1.00 0.46 N ATOM 1964 CA ALA A 126 -6.259 -6.668 -6.165 1.00 0.43 C ATOM 1965 C ALA A 126 -5.570 -5.646 -7.122 1.00 0.38 C ATOM 1966 O ALA A 126 -5.202 -5.980 -8.263 1.00 0.41 O ATOM 1967 CB ALA A 126 -5.189 -7.636 -5.591 1.00 0.46 C ATOM 0 H ALA A 126 -7.090 -8.120 -7.464 1.00 0.46 H new ATOM 0 HA ALA A 126 -6.717 -6.084 -5.366 1.00 0.43 H new ATOM 0 HB1 ALA A 126 -4.377 -7.059 -5.148 1.00 0.46 H new ATOM 0 HB2 ALA A 126 -5.643 -8.269 -4.828 1.00 0.46 H new ATOM 0 HB3 ALA A 126 -4.796 -8.260 -6.393 1.00 0.46 H new ATOM 1973 N HIS A 127 -5.428 -4.370 -6.647 1.00 0.34 N ATOM 1974 CA HIS A 127 -4.694 -3.322 -7.393 1.00 0.32 C ATOM 1975 C HIS A 127 -3.321 -3.119 -6.710 1.00 0.31 C ATOM 1976 O HIS A 127 -3.257 -2.815 -5.524 1.00 0.35 O ATOM 1977 CB HIS A 127 -5.470 -1.982 -7.435 1.00 0.32 C ATOM 1978 CG HIS A 127 -4.880 -0.954 -8.385 1.00 0.33 C ATOM 1979 ND1 HIS A 127 -4.203 -1.291 -9.544 1.00 0.35 N ATOM 1980 CD2 HIS A 127 -4.820 0.400 -8.309 1.00 0.36 C ATOM 1981 CE1 HIS A 127 -3.751 -0.195 -10.125 1.00 0.38 C ATOM 1982 NE2 HIS A 127 -4.114 0.841 -9.399 1.00 0.38 N ATOM 0 H HIS A 127 -5.813 -4.054 -5.757 1.00 0.34 H new ATOM 0 HA HIS A 127 -4.571 -3.647 -8.426 1.00 0.32 H new ATOM 0 HB2 HIS A 127 -6.501 -2.181 -7.726 1.00 0.32 H new ATOM 0 HB3 HIS A 127 -5.498 -1.559 -6.431 1.00 0.32 H new ATOM 0 HD2 HIS A 127 -5.249 1.016 -7.533 1.00 0.36 H new ATOM 0 HE1 HIS A 127 -3.180 -0.155 -11.041 1.00 0.38 H new ATOM 0 HE2 HIS A 127 -3.904 1.816 -9.613 1.00 0.38 H new ATOM 1991 N ASP A 128 -2.231 -3.289 -7.461 1.00 0.32 N ATOM 1992 CA ASP A 128 -0.881 -3.180 -6.876 1.00 0.33 C ATOM 1993 C ASP A 128 0.121 -2.472 -7.788 1.00 0.30 C ATOM 1994 O ASP A 128 0.307 -2.845 -8.953 1.00 0.42 O ATOM 1995 CB ASP A 128 -0.331 -4.581 -6.529 1.00 0.45 C ATOM 1996 CG ASP A 128 -0.511 -4.968 -5.063 1.00 1.70 C ATOM 1997 OD1 ASP A 128 0.352 -4.598 -4.241 1.00 2.50 O ATOM 1998 OD2 ASP A 128 -1.513 -5.643 -4.747 1.00 2.10 O ATOM 0 H ASP A 128 -2.248 -3.499 -8.459 1.00 0.32 H new ATOM 0 HA ASP A 128 -0.994 -2.574 -5.977 1.00 0.33 H new ATOM 0 HB2 ASP A 128 -0.829 -5.322 -7.154 1.00 0.45 H new ATOM 0 HB3 ASP A 128 0.730 -4.616 -6.777 1.00 0.45 H new ATOM 2003 N GLU A 129 0.776 -1.443 -7.223 1.00 0.25 N ATOM 2004 CA GLU A 129 1.820 -0.693 -7.939 1.00 0.30 C ATOM 2005 C GLU A 129 3.206 -0.885 -7.278 1.00 0.27 C ATOM 2006 O GLU A 129 3.355 -0.816 -6.040 1.00 0.25 O ATOM 2007 CB GLU A 129 1.462 0.806 -8.040 1.00 0.43 C ATOM 2008 CG GLU A 129 0.309 1.129 -9.013 1.00 0.91 C ATOM 2009 CD GLU A 129 0.716 1.012 -10.475 1.00 0.76 C ATOM 2010 OE1 GLU A 129 1.245 2.002 -11.026 1.00 1.12 O ATOM 2011 OE2 GLU A 129 0.509 -0.068 -11.067 1.00 1.56 O ATOM 0 H GLU A 129 0.601 -1.113 -6.274 1.00 0.25 H new ATOM 0 HA GLU A 129 1.874 -1.095 -8.951 1.00 0.30 H new ATOM 0 HB2 GLU A 129 1.195 1.169 -7.048 1.00 0.43 H new ATOM 0 HB3 GLU A 129 2.349 1.357 -8.353 1.00 0.43 H new ATOM 0 HG2 GLU A 129 -0.524 0.454 -8.818 1.00 0.91 H new ATOM 0 HG3 GLU A 129 -0.049 2.140 -8.821 1.00 0.91 H new ATOM 2018 N ILE A 130 4.210 -1.132 -8.149 1.00 0.28 N ATOM 2019 CA ILE A 130 5.622 -1.379 -7.757 1.00 0.28 C ATOM 2020 C ILE A 130 6.503 -0.142 -8.097 1.00 0.29 C ATOM 2021 O ILE A 130 6.742 0.171 -9.269 1.00 0.39 O ATOM 2022 CB ILE A 130 6.217 -2.684 -8.460 1.00 0.31 C ATOM 2023 CG1 ILE A 130 5.103 -3.682 -8.913 1.00 0.37 C ATOM 2024 CG2 ILE A 130 7.223 -3.444 -7.538 1.00 0.37 C ATOM 2025 CD1 ILE A 130 4.715 -3.606 -10.391 1.00 0.45 C ATOM 0 H ILE A 130 4.064 -1.167 -9.158 1.00 0.28 H new ATOM 0 HA ILE A 130 5.635 -1.547 -6.680 1.00 0.28 H new ATOM 0 HB ILE A 130 6.742 -2.317 -9.342 1.00 0.31 H new ATOM 0 HG12 ILE A 130 5.437 -4.696 -8.694 1.00 0.37 H new ATOM 0 HG13 ILE A 130 4.212 -3.503 -8.311 1.00 0.37 H new ATOM 0 HG21 ILE A 130 7.601 -4.324 -8.059 1.00 0.37 H new ATOM 0 HG22 ILE A 130 8.055 -2.786 -7.287 1.00 0.37 H new ATOM 0 HG23 ILE A 130 6.716 -3.753 -6.624 1.00 0.37 H new ATOM 0 HD11 ILE A 130 3.936 -4.339 -10.601 1.00 0.45 H new ATOM 0 HD12 ILE A 130 4.344 -2.607 -10.619 1.00 0.45 H new ATOM 0 HD13 ILE A 130 5.588 -3.819 -11.008 1.00 0.45 H new ATOM 2037 N ILE A 131 6.975 0.539 -7.033 1.00 0.21 N ATOM 2038 CA ILE A 131 7.806 1.757 -7.152 1.00 0.26 C ATOM 2039 C ILE A 131 9.250 1.498 -6.568 1.00 0.18 C ATOM 2040 O ILE A 131 9.448 1.665 -5.356 1.00 0.18 O ATOM 2041 CB ILE A 131 7.123 2.995 -6.388 1.00 0.34 C ATOM 2042 CG1 ILE A 131 5.534 3.046 -6.565 1.00 0.30 C ATOM 2043 CG2 ILE A 131 7.780 4.394 -6.724 1.00 0.62 C ATOM 2044 CD1 ILE A 131 4.933 3.165 -7.992 1.00 0.84 C ATOM 0 H ILE A 131 6.792 0.262 -6.069 1.00 0.21 H new ATOM 0 HA ILE A 131 7.889 2.005 -8.210 1.00 0.26 H new ATOM 0 HB ILE A 131 7.325 2.802 -5.334 1.00 0.34 H new ATOM 0 HG12 ILE A 131 5.124 2.144 -6.111 1.00 0.30 H new ATOM 0 HG13 ILE A 131 5.166 3.891 -5.983 1.00 0.30 H new ATOM 0 HG21 ILE A 131 7.265 5.180 -6.171 1.00 0.62 H new ATOM 0 HG22 ILE A 131 8.832 4.380 -6.440 1.00 0.62 H new ATOM 0 HG23 ILE A 131 7.696 4.588 -7.793 1.00 0.62 H new ATOM 0 HD11 ILE A 131 3.845 3.186 -7.928 1.00 0.84 H new ATOM 0 HD12 ILE A 131 5.287 4.083 -8.460 1.00 0.84 H new ATOM 0 HD13 ILE A 131 5.245 2.309 -8.591 1.00 0.84 H new ATOM 2056 N PRO A 132 10.269 1.047 -7.399 1.00 0.13 N ATOM 2057 CA PRO A 132 11.694 0.875 -6.933 1.00 0.09 C ATOM 2058 C PRO A 132 12.453 2.214 -6.723 1.00 0.08 C ATOM 2059 O PRO A 132 12.334 3.140 -7.528 1.00 0.16 O ATOM 2060 CB PRO A 132 12.355 0.085 -8.079 1.00 0.13 C ATOM 2061 CG PRO A 132 11.204 -0.554 -8.792 1.00 0.16 C ATOM 2062 CD PRO A 132 10.121 0.511 -8.776 1.00 0.16 C ATOM 0 HA PRO A 132 11.722 0.384 -5.960 1.00 0.09 H new ATOM 0 HB2 PRO A 132 12.920 0.741 -8.741 1.00 0.13 H new ATOM 0 HB3 PRO A 132 13.052 -0.661 -7.699 1.00 0.13 H new ATOM 0 HG2 PRO A 132 11.472 -0.835 -9.811 1.00 0.16 H new ATOM 0 HG3 PRO A 132 10.877 -1.463 -8.287 1.00 0.16 H new ATOM 0 HD2 PRO A 132 10.284 1.276 -9.536 1.00 0.16 H new ATOM 0 HD3 PRO A 132 9.130 0.093 -8.951 1.00 0.16 H new ATOM 2070 N ILE A 133 13.221 2.279 -5.622 1.00 0.07 N ATOM 2071 CA ILE A 133 13.977 3.486 -5.222 1.00 0.08 C ATOM 2072 C ILE A 133 15.502 3.161 -5.061 1.00 0.08 C ATOM 2073 O ILE A 133 15.889 2.042 -4.708 1.00 0.10 O ATOM 2074 CB ILE A 133 13.372 4.095 -3.867 1.00 0.15 C ATOM 2075 CG1 ILE A 133 11.809 3.921 -3.812 1.00 0.23 C ATOM 2076 CG2 ILE A 133 13.733 5.607 -3.680 1.00 0.30 C ATOM 2077 CD1 ILE A 133 11.214 3.541 -2.448 1.00 0.38 C ATOM 0 H ILE A 133 13.338 1.495 -4.980 1.00 0.07 H new ATOM 0 HA ILE A 133 13.879 4.234 -6.009 1.00 0.08 H new ATOM 0 HB ILE A 133 13.827 3.533 -3.051 1.00 0.15 H new ATOM 0 HG12 ILE A 133 11.349 4.854 -4.138 1.00 0.23 H new ATOM 0 HG13 ILE A 133 11.524 3.156 -4.534 1.00 0.23 H new ATOM 0 HG21 ILE A 133 13.300 5.972 -2.748 1.00 0.30 H new ATOM 0 HG22 ILE A 133 14.817 5.721 -3.646 1.00 0.30 H new ATOM 0 HG23 ILE A 133 13.334 6.182 -4.515 1.00 0.30 H new ATOM 0 HD11 ILE A 133 10.131 3.450 -2.536 1.00 0.38 H new ATOM 0 HD12 ILE A 133 11.633 2.589 -2.121 1.00 0.38 H new ATOM 0 HD13 ILE A 133 11.455 4.314 -1.718 1.00 0.38 H new ATOM 2089 N SER A 134 16.346 4.178 -5.325 1.00 0.10 N ATOM 2090 CA SER A 134 17.803 4.044 -5.204 1.00 0.12 C ATOM 2091 C SER A 134 18.431 5.241 -4.451 1.00 0.13 C ATOM 2092 O SER A 134 18.453 6.371 -4.950 1.00 0.15 O ATOM 2093 CB SER A 134 18.469 3.846 -6.600 1.00 0.15 C ATOM 2094 OG SER A 134 18.058 4.818 -7.565 1.00 1.31 O ATOM 0 H SER A 134 16.037 5.103 -5.624 1.00 0.10 H new ATOM 0 HA SER A 134 17.996 3.151 -4.610 1.00 0.12 H new ATOM 0 HB2 SER A 134 19.552 3.891 -6.488 1.00 0.15 H new ATOM 0 HB3 SER A 134 18.228 2.850 -6.972 1.00 0.15 H new ATOM 0 HG SER A 134 18.509 4.644 -8.417 1.00 1.31 H new ATOM 2100 N ILE A 135 18.938 4.957 -3.234 1.00 0.13 N ATOM 2101 CA ILE A 135 19.604 5.963 -2.371 1.00 0.15 C ATOM 2102 C ILE A 135 21.121 5.595 -2.255 1.00 0.18 C ATOM 2103 O ILE A 135 21.471 4.473 -1.864 1.00 0.18 O ATOM 2104 CB ILE A 135 18.889 6.070 -0.936 1.00 0.16 C ATOM 2105 CG1 ILE A 135 17.353 6.265 -1.083 1.00 0.13 C ATOM 2106 CG2 ILE A 135 19.462 7.217 -0.023 1.00 0.25 C ATOM 2107 CD1 ILE A 135 16.492 5.345 -0.206 1.00 0.15 C ATOM 0 H ILE A 135 18.899 4.026 -2.819 1.00 0.13 H new ATOM 0 HA ILE A 135 19.516 6.952 -2.821 1.00 0.15 H new ATOM 0 HB ILE A 135 19.104 5.121 -0.445 1.00 0.16 H new ATOM 0 HG12 ILE A 135 17.110 7.300 -0.845 1.00 0.13 H new ATOM 0 HG13 ILE A 135 17.081 6.106 -2.126 1.00 0.13 H new ATOM 0 HG21 ILE A 135 18.929 7.226 0.928 1.00 0.25 H new ATOM 0 HG22 ILE A 135 20.523 7.043 0.157 1.00 0.25 H new ATOM 0 HG23 ILE A 135 19.332 8.178 -0.521 1.00 0.25 H new ATOM 0 HD11 ILE A 135 15.437 5.558 -0.381 1.00 0.15 H new ATOM 0 HD12 ILE A 135 16.699 4.305 -0.458 1.00 0.15 H new ATOM 0 HD13 ILE A 135 16.728 5.518 0.844 1.00 0.15 H new ATOM 2119 N LYS A 136 21.992 6.567 -2.609 1.00 0.20 N ATOM 2120 CA LYS A 136 23.459 6.387 -2.564 1.00 0.23 C ATOM 2121 C LYS A 136 24.154 7.665 -2.087 1.00 0.28 C ATOM 2122 O LYS A 136 23.901 8.765 -2.604 1.00 0.29 O ATOM 2123 CB LYS A 136 23.994 5.961 -3.944 1.00 0.22 C ATOM 2124 CG LYS A 136 23.603 4.520 -4.319 1.00 0.25 C ATOM 2125 CD LYS A 136 23.918 4.167 -5.788 1.00 0.94 C ATOM 2126 CE LYS A 136 23.439 2.751 -6.155 1.00 1.23 C ATOM 2127 NZ LYS A 136 21.954 2.644 -6.117 1.00 2.05 N ATOM 0 H LYS A 136 21.700 7.490 -2.931 1.00 0.20 H new ATOM 0 HA LYS A 136 23.681 5.596 -1.848 1.00 0.23 H new ATOM 0 HB2 LYS A 136 23.613 6.645 -4.703 1.00 0.22 H new ATOM 0 HB3 LYS A 136 25.080 6.051 -3.951 1.00 0.22 H new ATOM 0 HG2 LYS A 136 24.130 3.826 -3.664 1.00 0.25 H new ATOM 0 HG3 LYS A 136 22.537 4.381 -4.139 1.00 0.25 H new ATOM 0 HD2 LYS A 136 23.441 4.893 -6.446 1.00 0.94 H new ATOM 0 HD3 LYS A 136 24.992 4.242 -5.957 1.00 0.94 H new ATOM 0 HE2 LYS A 136 23.797 2.493 -7.152 1.00 1.23 H new ATOM 0 HE3 LYS A 136 23.874 2.029 -5.463 1.00 1.23 H new ATOM 0 HZ1 LYS A 136 21.677 1.900 -5.446 1.00 2.05 H new ATOM 0 HZ2 LYS A 136 21.548 3.552 -5.814 1.00 2.05 H new ATOM 0 HZ3 LYS A 136 21.599 2.405 -7.065 1.00 2.05 H new ATOM 2141 N LYS A 137 25.005 7.507 -1.027 1.00 0.33 N ATOM 2142 CA LYS A 137 25.786 8.618 -0.354 1.00 0.40 C ATOM 2143 C LYS A 137 24.895 9.644 0.429 1.00 0.39 C ATOM 2144 O LYS A 137 25.354 10.733 0.788 1.00 0.42 O ATOM 2145 CB LYS A 137 26.683 9.382 -1.367 1.00 0.44 C ATOM 2146 CG LYS A 137 28.064 8.735 -1.688 1.00 0.99 C ATOM 2147 CD LYS A 137 27.978 7.421 -2.526 1.00 1.59 C ATOM 2148 CE LYS A 137 27.946 6.139 -1.672 1.00 2.70 C ATOM 2149 NZ LYS A 137 27.904 4.918 -2.524 1.00 3.55 N ATOM 0 H LYS A 137 25.177 6.595 -0.603 1.00 0.33 H new ATOM 0 HA LYS A 137 26.410 8.109 0.381 1.00 0.40 H new ATOM 0 HB2 LYS A 137 26.130 9.490 -2.300 1.00 0.44 H new ATOM 0 HB3 LYS A 137 26.857 10.386 -0.981 1.00 0.44 H new ATOM 0 HG2 LYS A 137 28.674 9.458 -2.229 1.00 0.99 H new ATOM 0 HG3 LYS A 137 28.579 8.522 -0.751 1.00 0.99 H new ATOM 0 HD2 LYS A 137 27.083 7.455 -3.147 1.00 1.59 H new ATOM 0 HD3 LYS A 137 28.832 7.375 -3.201 1.00 1.59 H new ATOM 0 HE2 LYS A 137 28.826 6.106 -1.030 1.00 2.70 H new ATOM 0 HE3 LYS A 137 27.074 6.158 -1.018 1.00 2.70 H new ATOM 0 HZ1 LYS A 137 27.883 4.073 -1.918 1.00 3.55 H new ATOM 0 HZ2 LYS A 137 27.051 4.939 -3.119 1.00 3.55 H new ATOM 0 HZ3 LYS A 137 28.748 4.889 -3.130 1.00 3.55 H new ATOM 2163 N GLY A 138 23.622 9.256 0.693 1.00 0.35 N ATOM 2164 CA GLY A 138 22.648 10.111 1.379 1.00 0.36 C ATOM 2165 C GLY A 138 21.679 10.871 0.442 1.00 0.33 C ATOM 2166 O GLY A 138 21.020 11.812 0.893 1.00 0.37 O ATOM 0 H GLY A 138 23.252 8.342 0.433 1.00 0.35 H new ATOM 0 HA2 GLY A 138 22.063 9.495 2.062 1.00 0.36 H new ATOM 0 HA3 GLY A 138 23.188 10.837 1.987 1.00 0.36 H new ATOM 2170 N LYS A 139 21.588 10.472 -0.860 1.00 0.29 N ATOM 2171 CA LYS A 139 20.678 11.143 -1.812 1.00 0.29 C ATOM 2172 C LYS A 139 19.671 10.167 -2.450 1.00 0.26 C ATOM 2173 O LYS A 139 19.998 9.013 -2.733 1.00 0.25 O ATOM 2174 CB LYS A 139 21.456 11.875 -2.913 1.00 0.33 C ATOM 2175 CG LYS A 139 22.424 12.967 -2.400 1.00 0.65 C ATOM 2176 CD LYS A 139 23.300 13.591 -3.521 1.00 0.67 C ATOM 2177 CE LYS A 139 22.498 14.414 -4.548 1.00 1.00 C ATOM 2178 NZ LYS A 139 23.396 15.216 -5.423 1.00 1.56 N ATOM 0 H LYS A 139 22.126 9.703 -1.260 1.00 0.29 H new ATOM 0 HA LYS A 139 20.117 11.873 -1.229 1.00 0.29 H new ATOM 0 HB2 LYS A 139 22.026 11.143 -3.485 1.00 0.33 H new ATOM 0 HB3 LYS A 139 20.744 12.333 -3.600 1.00 0.33 H new ATOM 0 HG2 LYS A 139 21.847 13.756 -1.918 1.00 0.65 H new ATOM 0 HG3 LYS A 139 23.074 12.537 -1.638 1.00 0.65 H new ATOM 0 HD2 LYS A 139 24.055 14.231 -3.066 1.00 0.67 H new ATOM 0 HD3 LYS A 139 23.830 12.794 -4.042 1.00 0.67 H new ATOM 0 HE2 LYS A 139 21.894 13.745 -5.160 1.00 1.00 H new ATOM 0 HE3 LYS A 139 21.809 15.078 -4.026 1.00 1.00 H new ATOM 0 HZ1 LYS A 139 22.825 15.758 -6.103 1.00 1.56 H new ATOM 0 HZ2 LYS A 139 23.955 15.871 -4.840 1.00 1.56 H new ATOM 0 HZ3 LYS A 139 24.037 14.580 -5.939 1.00 1.56 H new ATOM 2192 N LEU A 140 18.463 10.680 -2.763 1.00 0.25 N ATOM 2193 CA LEU A 140 17.363 9.855 -3.300 1.00 0.24 C ATOM 2194 C LEU A 140 17.135 10.021 -4.816 1.00 0.26 C ATOM 2195 O LEU A 140 17.224 11.115 -5.374 1.00 0.34 O ATOM 2196 CB LEU A 140 16.065 10.216 -2.539 1.00 0.24 C ATOM 2197 CG LEU A 140 14.974 9.112 -2.386 1.00 0.22 C ATOM 2198 CD1 LEU A 140 14.442 9.041 -0.959 1.00 0.22 C ATOM 2199 CD2 LEU A 140 13.808 9.346 -3.331 1.00 0.25 C ATOM 0 H LEU A 140 18.225 11.666 -2.652 1.00 0.25 H new ATOM 0 HA LEU A 140 17.643 8.812 -3.152 1.00 0.24 H new ATOM 0 HB2 LEU A 140 16.346 10.549 -1.540 1.00 0.24 H new ATOM 0 HB3 LEU A 140 15.609 11.068 -3.042 1.00 0.24 H new ATOM 0 HG LEU A 140 15.457 8.167 -2.636 1.00 0.22 H new ATOM 0 HD11 LEU A 140 13.684 8.261 -0.892 1.00 0.22 H new ATOM 0 HD12 LEU A 140 15.260 8.812 -0.277 1.00 0.22 H new ATOM 0 HD13 LEU A 140 14.001 10.000 -0.687 1.00 0.22 H new ATOM 0 HD21 LEU A 140 13.067 8.558 -3.197 1.00 0.25 H new ATOM 0 HD22 LEU A 140 13.353 10.312 -3.115 1.00 0.25 H new ATOM 0 HD23 LEU A 140 14.166 9.336 -4.360 1.00 0.25 H new ATOM 2211 N SER A 141 16.818 8.891 -5.456 1.00 0.21 N ATOM 2212 CA SER A 141 16.534 8.837 -6.889 1.00 0.22 C ATOM 2213 C SER A 141 15.264 8.013 -7.150 1.00 0.19 C ATOM 2214 O SER A 141 15.265 6.787 -6.965 1.00 0.16 O ATOM 2215 CB SER A 141 17.713 8.202 -7.635 1.00 0.25 C ATOM 2216 OG SER A 141 18.756 9.137 -7.863 1.00 0.64 O ATOM 0 H SER A 141 16.752 7.986 -4.991 1.00 0.21 H new ATOM 0 HA SER A 141 16.382 9.854 -7.249 1.00 0.22 H new ATOM 0 HB2 SER A 141 18.098 7.361 -7.058 1.00 0.25 H new ATOM 0 HB3 SER A 141 17.368 7.803 -8.589 1.00 0.25 H new ATOM 0 HG SER A 141 19.491 8.697 -8.339 1.00 0.64 H new ATOM 2222 N VAL A 142 14.175 8.685 -7.578 1.00 0.21 N ATOM 2223 CA VAL A 142 12.914 7.983 -7.872 1.00 0.22 C ATOM 2224 C VAL A 142 12.689 7.901 -9.443 1.00 0.25 C ATOM 2225 O VAL A 142 12.117 8.801 -10.062 1.00 0.26 O ATOM 2226 CB VAL A 142 11.677 8.576 -6.967 1.00 0.27 C ATOM 2227 CG1 VAL A 142 10.973 9.874 -7.461 1.00 0.46 C ATOM 2228 CG2 VAL A 142 10.614 7.492 -6.701 1.00 0.41 C ATOM 0 H VAL A 142 14.145 9.694 -7.725 1.00 0.21 H new ATOM 0 HA VAL A 142 12.965 6.941 -7.556 1.00 0.22 H new ATOM 0 HB VAL A 142 12.188 8.879 -6.053 1.00 0.27 H new ATOM 0 HG11 VAL A 142 10.179 10.145 -6.765 1.00 0.46 H new ATOM 0 HG12 VAL A 142 11.700 10.684 -7.515 1.00 0.46 H new ATOM 0 HG13 VAL A 142 10.546 9.703 -8.449 1.00 0.46 H new ATOM 0 HG21 VAL A 142 9.808 7.913 -6.100 1.00 0.41 H new ATOM 0 HG22 VAL A 142 10.212 7.136 -7.650 1.00 0.41 H new ATOM 0 HG23 VAL A 142 11.070 6.659 -6.165 1.00 0.41 H new ATOM 2238 N GLN A 143 13.206 6.783 -10.052 1.00 0.31 N ATOM 2239 CA GLN A 143 13.126 6.454 -11.528 1.00 0.39 C ATOM 2240 C GLN A 143 13.784 7.506 -12.477 1.00 0.41 C ATOM 2241 O GLN A 143 14.922 7.322 -12.916 1.00 0.46 O ATOM 2242 CB GLN A 143 11.665 6.152 -11.936 1.00 0.44 C ATOM 2243 CG GLN A 143 11.099 4.896 -11.258 1.00 0.65 C ATOM 2244 CD GLN A 143 9.608 4.712 -11.448 1.00 0.87 C ATOM 2245 OE1 GLN A 143 9.039 5.060 -12.486 1.00 1.56 O ATOM 2246 NE2 GLN A 143 8.970 4.163 -10.425 1.00 1.12 N ATOM 0 H GLN A 143 13.702 6.066 -9.522 1.00 0.31 H new ATOM 0 HA GLN A 143 13.732 5.558 -11.661 1.00 0.39 H new ATOM 0 HB2 GLN A 143 11.039 7.008 -11.683 1.00 0.44 H new ATOM 0 HB3 GLN A 143 11.614 6.028 -13.018 1.00 0.44 H new ATOM 0 HG2 GLN A 143 11.616 4.020 -11.650 1.00 0.65 H new ATOM 0 HG3 GLN A 143 11.316 4.943 -10.191 1.00 0.65 H new ATOM 0 HE21 GLN A 143 9.486 3.892 -9.588 1.00 1.12 H new ATOM 0 HE22 GLN A 143 7.963 4.011 -10.474 1.00 1.12 H new ATOM 2255 N GLY A 144 13.042 8.593 -12.771 1.00 0.40 N ATOM 2256 CA GLY A 144 13.554 9.685 -13.613 1.00 0.45 C ATOM 2257 C GLY A 144 13.630 11.055 -12.898 1.00 0.42 C ATOM 2258 O GLY A 144 13.558 12.097 -13.553 1.00 0.49 O ATOM 0 H GLY A 144 12.089 8.735 -12.437 1.00 0.40 H new ATOM 0 HA2 GLY A 144 14.549 9.418 -13.969 1.00 0.45 H new ATOM 0 HA3 GLY A 144 12.916 9.781 -14.491 1.00 0.45 H new ATOM 2262 N GLU A 145 13.779 11.042 -11.548 1.00 0.33 N ATOM 2263 CA GLU A 145 13.880 12.263 -10.728 1.00 0.32 C ATOM 2264 C GLU A 145 15.017 12.140 -9.690 1.00 0.27 C ATOM 2265 O GLU A 145 15.215 11.079 -9.090 1.00 0.36 O ATOM 2266 CB GLU A 145 12.539 12.518 -10.010 1.00 0.37 C ATOM 2267 CG GLU A 145 11.526 13.348 -10.813 1.00 0.80 C ATOM 2268 CD GLU A 145 10.185 13.458 -10.110 1.00 1.16 C ATOM 2269 OE1 GLU A 145 9.339 12.559 -10.300 1.00 1.53 O ATOM 2270 OE2 GLU A 145 9.981 14.444 -9.372 1.00 1.82 O ATOM 0 H GLU A 145 13.832 10.181 -11.004 1.00 0.33 H new ATOM 0 HA GLU A 145 14.108 13.102 -11.385 1.00 0.32 H new ATOM 0 HB2 GLU A 145 12.086 11.557 -9.764 1.00 0.37 H new ATOM 0 HB3 GLU A 145 12.739 13.027 -9.067 1.00 0.37 H new ATOM 0 HG2 GLU A 145 11.929 14.347 -10.980 1.00 0.80 H new ATOM 0 HG3 GLU A 145 11.383 12.894 -11.794 1.00 0.80 H new ATOM 2277 N VAL A 146 15.753 13.243 -9.473 1.00 0.30 N ATOM 2278 CA VAL A 146 16.888 13.249 -8.519 1.00 0.27 C ATOM 2279 C VAL A 146 16.751 14.407 -7.446 1.00 0.28 C ATOM 2280 O VAL A 146 16.501 15.572 -7.780 1.00 0.32 O ATOM 2281 CB VAL A 146 18.305 13.188 -9.325 1.00 0.31 C ATOM 2282 CG1 VAL A 146 18.761 14.503 -10.036 1.00 1.02 C ATOM 2283 CG2 VAL A 146 19.465 12.635 -8.458 1.00 0.72 C ATOM 0 H VAL A 146 15.589 14.136 -9.937 1.00 0.30 H new ATOM 0 HA VAL A 146 16.866 12.343 -7.914 1.00 0.27 H new ATOM 0 HB VAL A 146 18.075 12.488 -10.128 1.00 0.31 H new ATOM 0 HG11 VAL A 146 19.715 14.335 -10.536 1.00 1.02 H new ATOM 0 HG12 VAL A 146 18.013 14.797 -10.772 1.00 1.02 H new ATOM 0 HG13 VAL A 146 18.874 15.296 -9.297 1.00 1.02 H new ATOM 0 HG21 VAL A 146 20.382 12.617 -9.046 1.00 0.72 H new ATOM 0 HG22 VAL A 146 19.605 13.275 -7.587 1.00 0.72 H new ATOM 0 HG23 VAL A 146 19.224 11.624 -8.131 1.00 0.72 H new ATOM 2293 N SER A 147 16.922 14.024 -6.164 1.00 0.27 N ATOM 2294 CA SER A 147 16.853 14.945 -5.013 1.00 0.29 C ATOM 2295 C SER A 147 17.683 14.374 -3.845 1.00 0.29 C ATOM 2296 O SER A 147 18.330 13.329 -3.978 1.00 0.30 O ATOM 2297 CB SER A 147 15.396 15.158 -4.560 1.00 0.31 C ATOM 2298 OG SER A 147 14.761 16.188 -5.302 1.00 0.56 O ATOM 0 H SER A 147 17.113 13.058 -5.897 1.00 0.27 H new ATOM 0 HA SER A 147 17.259 15.909 -5.319 1.00 0.29 H new ATOM 0 HB2 SER A 147 14.839 14.229 -4.677 1.00 0.31 H new ATOM 0 HB3 SER A 147 15.378 15.409 -3.499 1.00 0.31 H new ATOM 0 HG SER A 147 15.146 16.227 -6.203 1.00 0.56 H new ATOM 2304 N THR A 148 17.722 15.080 -2.708 1.00 0.30 N ATOM 2305 CA THR A 148 18.470 14.584 -1.532 1.00 0.31 C ATOM 2306 C THR A 148 17.539 14.012 -0.394 1.00 0.27 C ATOM 2307 O THR A 148 16.484 14.579 -0.085 1.00 0.32 O ATOM 2308 CB THR A 148 19.594 15.616 -1.027 1.00 0.44 C ATOM 2309 OG1 THR A 148 20.408 15.032 0.007 1.00 1.25 O ATOM 2310 CG2 THR A 148 19.079 16.991 -0.524 1.00 0.99 C ATOM 0 H THR A 148 17.257 15.978 -2.572 1.00 0.30 H new ATOM 0 HA THR A 148 19.031 13.714 -1.873 1.00 0.31 H new ATOM 0 HB THR A 148 20.171 15.817 -1.930 1.00 0.44 H new ATOM 0 HG1 THR A 148 21.085 15.679 0.295 1.00 1.25 H new ATOM 0 HG21 THR A 148 19.924 17.603 -0.209 1.00 0.99 H new ATOM 0 HG22 THR A 148 18.545 17.496 -1.329 1.00 0.99 H new ATOM 0 HG23 THR A 148 18.406 16.841 0.320 1.00 0.99 H new ATOM 2318 N PHE A 149 17.982 12.879 0.215 1.00 0.26 N ATOM 2319 CA PHE A 149 17.264 12.198 1.340 1.00 0.24 C ATOM 2320 C PHE A 149 17.588 12.858 2.703 1.00 0.24 C ATOM 2321 O PHE A 149 18.756 12.928 3.106 1.00 0.29 O ATOM 2322 CB PHE A 149 17.654 10.683 1.399 1.00 0.23 C ATOM 2323 CG PHE A 149 17.061 9.905 2.593 1.00 0.22 C ATOM 2324 CD1 PHE A 149 15.692 9.619 2.668 1.00 0.22 C ATOM 2325 CD2 PHE A 149 17.884 9.416 3.613 1.00 0.24 C ATOM 2326 CE1 PHE A 149 15.176 8.875 3.714 1.00 0.24 C ATOM 2327 CE2 PHE A 149 17.364 8.683 4.659 1.00 0.26 C ATOM 2328 CZ PHE A 149 15.962 8.585 4.798 1.00 0.25 C ATOM 0 H PHE A 149 18.845 12.408 -0.056 1.00 0.26 H new ATOM 0 HA PHE A 149 16.195 12.297 1.150 1.00 0.24 H new ATOM 0 HB2 PHE A 149 17.331 10.203 0.475 1.00 0.23 H new ATOM 0 HB3 PHE A 149 18.740 10.604 1.436 1.00 0.23 H new ATOM 0 HD1 PHE A 149 15.029 9.985 1.898 1.00 0.22 H new ATOM 0 HD2 PHE A 149 18.945 9.616 3.581 1.00 0.24 H new ATOM 0 HE1 PHE A 149 14.156 8.523 3.676 1.00 0.24 H new ATOM 0 HE2 PHE A 149 18.020 8.191 5.362 1.00 0.26 H new ATOM 0 HZ PHE A 149 15.520 8.288 5.737 1.00 0.25 H new ATOM 2338 N THR A 150 16.541 13.327 3.403 1.00 0.25 N ATOM 2339 CA THR A 150 16.742 13.967 4.725 1.00 0.30 C ATOM 2340 C THR A 150 15.836 13.358 5.815 1.00 0.40 C ATOM 2341 O THR A 150 14.705 13.807 6.029 1.00 1.15 O ATOM 2342 CB THR A 150 16.539 15.535 4.706 1.00 0.66 C ATOM 2343 OG1 THR A 150 15.573 15.941 3.714 1.00 1.42 O ATOM 2344 CG2 THR A 150 17.859 16.300 4.465 1.00 1.18 C ATOM 0 H THR A 150 15.571 13.280 3.092 1.00 0.25 H new ATOM 0 HA THR A 150 17.785 13.765 4.967 1.00 0.30 H new ATOM 0 HB THR A 150 16.165 15.791 5.697 1.00 0.66 H new ATOM 0 HG1 THR A 150 15.474 16.916 3.734 1.00 1.42 H new ATOM 0 HG21 THR A 150 17.663 17.372 4.461 1.00 1.18 H new ATOM 0 HG22 THR A 150 18.567 16.063 5.259 1.00 1.18 H new ATOM 0 HG23 THR A 150 18.280 16.005 3.504 1.00 1.18 H new ATOM 2352 N GLY A 151 16.376 12.319 6.503 1.00 0.32 N ATOM 2353 CA GLY A 151 15.697 11.641 7.633 1.00 0.18 C ATOM 2354 C GLY A 151 14.584 10.622 7.322 1.00 0.20 C ATOM 2355 O GLY A 151 14.747 9.436 7.615 1.00 0.42 O ATOM 0 H GLY A 151 17.294 11.930 6.288 1.00 0.32 H new ATOM 0 HA2 GLY A 151 16.461 11.128 8.218 1.00 0.18 H new ATOM 0 HA3 GLY A 151 15.269 12.413 8.273 1.00 0.18 H new ATOM 2359 N LYS A 152 13.460 11.085 6.745 1.00 0.16 N ATOM 2360 CA LYS A 152 12.308 10.209 6.478 1.00 0.13 C ATOM 2361 C LYS A 152 11.730 10.340 5.051 1.00 0.13 C ATOM 2362 O LYS A 152 11.860 11.364 4.374 1.00 0.16 O ATOM 2363 CB LYS A 152 11.236 10.485 7.611 1.00 0.22 C ATOM 2364 CG LYS A 152 9.716 10.330 7.275 1.00 0.41 C ATOM 2365 CD LYS A 152 9.096 11.497 6.451 1.00 0.56 C ATOM 2366 CE LYS A 152 9.220 12.870 7.128 1.00 0.69 C ATOM 2367 NZ LYS A 152 8.291 13.865 6.523 1.00 1.10 N ATOM 0 H LYS A 152 13.327 12.054 6.457 1.00 0.16 H new ATOM 0 HA LYS A 152 12.634 9.169 6.511 1.00 0.13 H new ATOM 0 HB2 LYS A 152 11.458 9.817 8.443 1.00 0.22 H new ATOM 0 HB3 LYS A 152 11.391 11.503 7.969 1.00 0.22 H new ATOM 0 HG2 LYS A 152 9.576 9.401 6.722 1.00 0.41 H new ATOM 0 HG3 LYS A 152 9.162 10.232 8.209 1.00 0.41 H new ATOM 0 HD2 LYS A 152 9.581 11.538 5.476 1.00 0.56 H new ATOM 0 HD3 LYS A 152 8.042 11.284 6.274 1.00 0.56 H new ATOM 0 HE2 LYS A 152 9.007 12.772 8.192 1.00 0.69 H new ATOM 0 HE3 LYS A 152 10.246 13.228 7.040 1.00 0.69 H new ATOM 0 HZ1 LYS A 152 8.401 14.780 7.004 1.00 1.10 H new ATOM 0 HZ2 LYS A 152 8.511 13.976 5.513 1.00 1.10 H new ATOM 0 HZ3 LYS A 152 7.311 13.534 6.629 1.00 1.10 H new ATOM 2381 N LEU A 153 11.058 9.241 4.650 1.00 0.12 N ATOM 2382 CA LEU A 153 10.334 9.104 3.358 1.00 0.13 C ATOM 2383 C LEU A 153 8.824 9.247 3.624 1.00 0.13 C ATOM 2384 O LEU A 153 8.308 8.651 4.578 1.00 0.18 O ATOM 2385 CB LEU A 153 10.628 7.724 2.731 1.00 0.15 C ATOM 2386 CG LEU A 153 11.022 7.666 1.223 1.00 0.34 C ATOM 2387 CD1 LEU A 153 11.870 6.435 0.923 1.00 0.43 C ATOM 2388 CD2 LEU A 153 9.796 7.650 0.312 1.00 0.67 C ATOM 0 H LEU A 153 10.999 8.401 5.226 1.00 0.12 H new ATOM 0 HA LEU A 153 10.665 9.877 2.665 1.00 0.13 H new ATOM 0 HB2 LEU A 153 11.434 7.264 3.303 1.00 0.15 H new ATOM 0 HB3 LEU A 153 9.744 7.101 2.868 1.00 0.15 H new ATOM 0 HG LEU A 153 11.599 8.569 1.022 1.00 0.34 H new ATOM 0 HD11 LEU A 153 12.130 6.421 -0.136 1.00 0.43 H new ATOM 0 HD12 LEU A 153 12.782 6.467 1.520 1.00 0.43 H new ATOM 0 HD13 LEU A 153 11.306 5.536 1.170 1.00 0.43 H new ATOM 0 HD21 LEU A 153 10.117 7.609 -0.729 1.00 0.67 H new ATOM 0 HD22 LEU A 153 9.186 6.775 0.538 1.00 0.67 H new ATOM 0 HD23 LEU A 153 9.209 8.554 0.476 1.00 0.67 H new ATOM 2400 N SER A 154 8.098 10.018 2.797 1.00 0.14 N ATOM 2401 CA SER A 154 6.675 10.231 3.090 1.00 0.16 C ATOM 2402 C SER A 154 5.693 9.772 1.990 1.00 0.19 C ATOM 2403 O SER A 154 5.930 9.923 0.803 1.00 0.36 O ATOM 2404 CB SER A 154 6.472 11.732 3.377 1.00 0.21 C ATOM 2405 OG SER A 154 5.319 11.988 4.174 1.00 0.24 O ATOM 0 H SER A 154 8.452 10.483 1.961 1.00 0.14 H new ATOM 0 HA SER A 154 6.437 9.603 3.948 1.00 0.16 H new ATOM 0 HB2 SER A 154 7.354 12.123 3.885 1.00 0.21 H new ATOM 0 HB3 SER A 154 6.383 12.270 2.433 1.00 0.21 H new ATOM 0 HG SER A 154 5.236 12.952 4.329 1.00 0.24 H new ATOM 2411 N VAL A 155 4.555 9.221 2.434 1.00 0.16 N ATOM 2412 CA VAL A 155 3.468 8.796 1.507 1.00 0.19 C ATOM 2413 C VAL A 155 2.229 9.659 1.825 1.00 0.25 C ATOM 2414 O VAL A 155 1.496 9.381 2.784 1.00 0.30 O ATOM 2415 CB VAL A 155 3.037 7.247 1.515 1.00 0.28 C ATOM 2416 CG1 VAL A 155 3.052 6.651 0.089 1.00 0.39 C ATOM 2417 CG2 VAL A 155 3.878 6.321 2.427 1.00 0.74 C ATOM 0 H VAL A 155 4.353 9.055 3.420 1.00 0.16 H new ATOM 0 HA VAL A 155 3.878 8.939 0.507 1.00 0.19 H new ATOM 0 HB VAL A 155 2.030 7.272 1.930 1.00 0.28 H new ATOM 0 HG11 VAL A 155 2.756 5.603 0.130 1.00 0.39 H new ATOM 0 HG12 VAL A 155 2.354 7.201 -0.543 1.00 0.39 H new ATOM 0 HG13 VAL A 155 4.056 6.728 -0.327 1.00 0.39 H new ATOM 0 HG21 VAL A 155 3.501 5.301 2.356 1.00 0.74 H new ATOM 0 HG22 VAL A 155 4.920 6.346 2.109 1.00 0.74 H new ATOM 0 HG23 VAL A 155 3.805 6.663 3.459 1.00 0.74 H new ATOM 2427 N GLU A 156 2.022 10.709 1.009 1.00 0.28 N ATOM 2428 CA GLU A 156 0.915 11.647 1.217 1.00 0.36 C ATOM 2429 C GLU A 156 -0.054 11.667 0.043 1.00 0.34 C ATOM 2430 O GLU A 156 0.342 11.860 -1.115 1.00 0.38 O ATOM 2431 CB GLU A 156 1.457 13.071 1.455 1.00 0.53 C ATOM 2432 CG GLU A 156 2.094 13.292 2.833 1.00 0.73 C ATOM 2433 CD GLU A 156 2.717 14.669 2.967 1.00 1.26 C ATOM 2434 OE1 GLU A 156 3.899 14.825 2.596 1.00 1.66 O ATOM 2435 OE2 GLU A 156 2.021 15.592 3.443 1.00 1.67 O ATOM 0 H GLU A 156 2.608 10.925 0.203 1.00 0.28 H new ATOM 0 HA GLU A 156 0.370 11.303 2.096 1.00 0.36 H new ATOM 0 HB2 GLU A 156 2.197 13.296 0.687 1.00 0.53 H new ATOM 0 HB3 GLU A 156 0.640 13.782 1.329 1.00 0.53 H new ATOM 0 HG2 GLU A 156 1.336 13.162 3.606 1.00 0.73 H new ATOM 0 HG3 GLU A 156 2.857 12.533 3.004 1.00 0.73 H new ATOM 2442 N PHE A 157 -1.341 11.471 0.361 1.00 0.35 N ATOM 2443 CA PHE A 157 -2.394 11.488 -0.657 1.00 0.40 C ATOM 2444 C PHE A 157 -3.355 12.661 -0.443 1.00 0.41 C ATOM 2445 O PHE A 157 -3.886 12.896 0.665 1.00 0.43 O ATOM 2446 CB PHE A 157 -3.163 10.142 -0.789 1.00 0.51 C ATOM 2447 CG PHE A 157 -3.002 9.160 0.369 1.00 0.60 C ATOM 2448 CD1 PHE A 157 -1.854 8.383 0.513 1.00 0.99 C ATOM 2449 CD2 PHE A 157 -4.005 9.040 1.331 1.00 1.03 C ATOM 2450 CE1 PHE A 157 -1.720 7.513 1.582 1.00 1.55 C ATOM 2451 CE2 PHE A 157 -3.869 8.173 2.397 1.00 1.60 C ATOM 2452 CZ PHE A 157 -2.693 7.325 2.447 1.00 1.80 C ATOM 0 H PHE A 157 -1.674 11.300 1.310 1.00 0.35 H new ATOM 0 HA PHE A 157 -1.882 11.629 -1.609 1.00 0.40 H new ATOM 0 HB2 PHE A 157 -4.224 10.363 -0.906 1.00 0.51 H new ATOM 0 HB3 PHE A 157 -2.837 9.649 -1.705 1.00 0.51 H new ATOM 0 HD1 PHE A 157 -1.061 8.460 -0.216 1.00 0.99 H new ATOM 0 HD2 PHE A 157 -4.902 9.635 1.241 1.00 1.03 H new ATOM 0 HE1 PHE A 157 -0.792 6.975 1.709 1.00 1.55 H new ATOM 0 HE2 PHE A 157 -4.618 8.127 3.173 1.00 1.60 H new ATOM 0 HZ PHE A 157 -2.617 6.544 3.190 1.00 1.80 H new ATOM 2462 N VAL A 158 -3.541 13.388 -1.555 1.00 0.43 N ATOM 2463 CA VAL A 158 -4.382 14.621 -1.623 1.00 0.46 C ATOM 2464 C VAL A 158 -5.706 14.347 -2.413 1.00 0.48 C ATOM 2465 O VAL A 158 -5.731 13.576 -3.385 1.00 0.47 O ATOM 2466 CB VAL A 158 -3.633 15.912 -2.253 1.00 0.50 C ATOM 2467 CG1 VAL A 158 -3.965 17.207 -1.471 1.00 0.58 C ATOM 2468 CG2 VAL A 158 -2.084 15.821 -2.330 1.00 0.58 C ATOM 0 H VAL A 158 -3.113 13.145 -2.448 1.00 0.43 H new ATOM 0 HA VAL A 158 -4.602 14.870 -0.585 1.00 0.46 H new ATOM 0 HB VAL A 158 -4.020 15.935 -3.272 1.00 0.50 H new ATOM 0 HG11 VAL A 158 -3.444 18.050 -1.925 1.00 0.58 H new ATOM 0 HG12 VAL A 158 -5.040 17.386 -1.503 1.00 0.58 H new ATOM 0 HG13 VAL A 158 -3.646 17.098 -0.435 1.00 0.58 H new ATOM 0 HG21 VAL A 158 -1.687 16.737 -2.767 1.00 0.58 H new ATOM 0 HG22 VAL A 158 -1.677 15.691 -1.327 1.00 0.58 H new ATOM 0 HG23 VAL A 158 -1.800 14.971 -2.950 1.00 0.58 H new ATOM 2478 N LYS A 159 -6.798 15.023 -1.969 1.00 0.52 N ATOM 2479 CA LYS A 159 -8.166 14.883 -2.551 1.00 0.56 C ATOM 2480 C LYS A 159 -8.400 15.670 -3.880 1.00 0.66 C ATOM 2481 O LYS A 159 -7.810 16.732 -4.113 1.00 0.81 O ATOM 2482 CB LYS A 159 -9.234 15.292 -1.481 1.00 0.72 C ATOM 2483 CG LYS A 159 -9.550 16.816 -1.372 1.00 1.06 C ATOM 2484 CD LYS A 159 -8.362 17.646 -0.835 1.00 1.48 C ATOM 2485 CE LYS A 159 -8.633 19.161 -0.893 1.00 1.63 C ATOM 2486 NZ LYS A 159 -9.847 19.545 -0.123 1.00 2.18 N ATOM 0 H LYS A 159 -6.757 15.684 -1.194 1.00 0.52 H new ATOM 0 HA LYS A 159 -8.269 13.833 -2.823 1.00 0.56 H new ATOM 0 HB2 LYS A 159 -10.162 14.765 -1.704 1.00 0.72 H new ATOM 0 HB3 LYS A 159 -8.894 14.942 -0.506 1.00 0.72 H new ATOM 0 HG2 LYS A 159 -9.834 17.193 -2.355 1.00 1.06 H new ATOM 0 HG3 LYS A 159 -10.409 16.957 -0.716 1.00 1.06 H new ATOM 0 HD2 LYS A 159 -8.155 17.355 0.195 1.00 1.48 H new ATOM 0 HD3 LYS A 159 -7.469 17.416 -1.417 1.00 1.48 H new ATOM 0 HE2 LYS A 159 -7.770 19.698 -0.499 1.00 1.63 H new ATOM 0 HE3 LYS A 159 -8.752 19.468 -1.932 1.00 1.63 H new ATOM 0 HZ1 LYS A 159 -9.827 20.567 0.070 1.00 2.18 H new ATOM 0 HZ2 LYS A 159 -10.697 19.313 -0.676 1.00 2.18 H new ATOM 0 HZ3 LYS A 159 -9.867 19.024 0.777 1.00 2.18 H new ATOM 2500 N GLY A 160 -9.286 15.113 -4.723 1.00 0.74 N ATOM 2501 CA GLY A 160 -9.631 15.726 -6.015 1.00 0.93 C ATOM 2502 C GLY A 160 -11.100 16.186 -6.146 1.00 0.96 C ATOM 2503 O GLY A 160 -11.377 17.124 -6.897 1.00 1.02 O ATOM 0 H GLY A 160 -9.776 14.239 -4.532 1.00 0.74 H new ATOM 0 HA2 GLY A 160 -8.981 16.585 -6.178 1.00 0.93 H new ATOM 0 HA3 GLY A 160 -9.418 15.010 -6.809 1.00 0.93 H new ATOM 2507 N TYR A 161 -12.035 15.526 -5.420 1.00 0.96 N ATOM 2508 CA TYR A 161 -13.466 15.877 -5.469 1.00 1.02 C ATOM 2509 C TYR A 161 -14.070 16.040 -4.050 1.00 1.05 C ATOM 2510 O TYR A 161 -14.445 17.152 -3.667 1.00 1.11 O ATOM 2511 CB TYR A 161 -14.243 14.810 -6.273 1.00 1.14 C ATOM 2512 CG TYR A 161 -15.465 15.349 -7.035 1.00 1.34 C ATOM 2513 CD1 TYR A 161 -15.338 15.961 -8.289 1.00 1.63 C ATOM 2514 CD2 TYR A 161 -16.752 15.241 -6.496 1.00 1.81 C ATOM 2515 CE1 TYR A 161 -16.447 16.442 -8.968 1.00 2.07 C ATOM 2516 CE2 TYR A 161 -17.860 15.721 -7.177 1.00 2.26 C ATOM 2517 CZ TYR A 161 -17.675 16.342 -8.431 1.00 2.29 C ATOM 2518 OH TYR A 161 -18.798 16.795 -9.083 1.00 2.86 O ATOM 0 H TYR A 161 -11.819 14.749 -4.796 1.00 0.96 H new ATOM 0 HA TYR A 161 -13.558 16.841 -5.970 1.00 1.02 H new ATOM 0 HB2 TYR A 161 -13.563 14.344 -6.986 1.00 1.14 H new ATOM 0 HB3 TYR A 161 -14.573 14.028 -5.590 1.00 1.14 H new ATOM 0 HD1 TYR A 161 -14.359 16.060 -8.734 1.00 1.63 H new ATOM 0 HD2 TYR A 161 -16.885 14.775 -5.531 1.00 1.81 H new ATOM 0 HE1 TYR A 161 -16.323 16.901 -9.938 1.00 2.07 H new ATOM 0 HE2 TYR A 161 -18.849 15.621 -6.755 1.00 2.26 H new ATOM 0 HH TYR A 161 -19.588 16.629 -8.527 1.00 2.86 H new ATOM 2528 N TYR A 162 -14.160 14.932 -3.281 1.00 1.09 N ATOM 2529 CA TYR A 162 -14.724 14.958 -1.913 1.00 1.17 C ATOM 2530 C TYR A 162 -13.944 14.045 -0.938 1.00 1.10 C ATOM 2531 O TYR A 162 -13.525 14.498 0.131 1.00 1.71 O ATOM 2532 CB TYR A 162 -16.214 14.552 -1.944 1.00 1.54 C ATOM 2533 CG TYR A 162 -17.072 15.183 -0.836 1.00 1.88 C ATOM 2534 CD1 TYR A 162 -17.582 16.483 -0.953 1.00 2.57 C ATOM 2535 CD2 TYR A 162 -17.376 14.471 0.329 1.00 2.00 C ATOM 2536 CE1 TYR A 162 -18.356 17.041 0.053 1.00 3.18 C ATOM 2537 CE2 TYR A 162 -18.150 15.031 1.333 1.00 2.64 C ATOM 2538 CZ TYR A 162 -18.630 16.349 1.171 1.00 3.16 C ATOM 2539 OH TYR A 162 -19.401 16.867 2.185 1.00 3.91 O ATOM 0 H TYR A 162 -13.849 14.009 -3.584 1.00 1.09 H new ATOM 0 HA TYR A 162 -14.631 15.980 -1.544 1.00 1.17 H new ATOM 0 HB2 TYR A 162 -16.632 14.829 -2.912 1.00 1.54 H new ATOM 0 HB3 TYR A 162 -16.283 13.467 -1.866 1.00 1.54 H new ATOM 0 HD1 TYR A 162 -17.369 17.060 -1.841 1.00 2.57 H new ATOM 0 HD2 TYR A 162 -17.000 13.466 0.448 1.00 2.00 H new ATOM 0 HE1 TYR A 162 -18.743 18.043 -0.064 1.00 3.18 H new ATOM 0 HE2 TYR A 162 -18.382 14.468 2.225 1.00 2.64 H new ATOM 0 HH TYR A 162 -19.481 16.207 2.905 1.00 3.91 H new ATOM 2549 N ASP A 163 -13.752 12.757 -1.315 1.00 1.04 N ATOM 2550 CA ASP A 163 -13.024 11.765 -0.479 1.00 0.99 C ATOM 2551 C ASP A 163 -11.593 11.480 -0.998 1.00 1.06 C ATOM 2552 O ASP A 163 -11.138 12.028 -2.010 1.00 1.74 O ATOM 2553 CB ASP A 163 -13.815 10.435 -0.406 1.00 1.11 C ATOM 2554 CG ASP A 163 -14.809 10.391 0.751 1.00 1.19 C ATOM 2555 OD1 ASP A 163 -14.403 10.014 1.871 1.00 1.27 O ATOM 2556 OD2 ASP A 163 -15.991 10.734 0.533 1.00 1.34 O ATOM 0 H ASP A 163 -14.093 12.377 -2.198 1.00 1.04 H new ATOM 0 HA ASP A 163 -12.935 12.204 0.515 1.00 0.99 H new ATOM 0 HB2 ASP A 163 -14.351 10.286 -1.343 1.00 1.11 H new ATOM 0 HB3 ASP A 163 -13.113 9.607 -0.306 1.00 1.11 H new ATOM 2561 N ASN A 164 -10.894 10.624 -0.247 1.00 0.83 N ATOM 2562 CA ASN A 164 -9.528 10.172 -0.559 1.00 0.83 C ATOM 2563 C ASN A 164 -9.540 8.625 -0.812 1.00 1.01 C ATOM 2564 O ASN A 164 -10.630 8.029 -0.808 1.00 1.68 O ATOM 2565 CB ASN A 164 -8.626 10.561 0.629 1.00 1.02 C ATOM 2566 CG ASN A 164 -7.544 11.581 0.270 1.00 0.88 C ATOM 2567 OD1 ASN A 164 -7.004 11.576 -0.837 1.00 1.57 O ATOM 2568 ND2 ASN A 164 -7.232 12.466 1.210 1.00 0.82 N ATOM 0 H ASN A 164 -11.265 10.216 0.611 1.00 0.83 H new ATOM 0 HA ASN A 164 -9.142 10.643 -1.463 1.00 0.83 H new ATOM 0 HB2 ASN A 164 -9.247 10.968 1.427 1.00 1.02 H new ATOM 0 HB3 ASN A 164 -8.150 9.663 1.022 1.00 1.02 H new ATOM 0 HD21 ASN A 164 -6.522 13.175 1.027 1.00 0.82 H new ATOM 0 HD22 ASN A 164 -7.703 12.437 2.114 1.00 0.82 H new ATOM 2575 N PRO A 165 -8.367 7.919 -1.088 1.00 0.87 N ATOM 2576 CA PRO A 165 -8.337 6.417 -1.290 1.00 1.06 C ATOM 2577 C PRO A 165 -8.889 5.610 -0.090 1.00 0.93 C ATOM 2578 O PRO A 165 -8.515 5.861 1.060 1.00 1.76 O ATOM 2579 CB PRO A 165 -6.844 6.116 -1.486 1.00 1.45 C ATOM 2580 CG PRO A 165 -6.293 7.386 -2.061 1.00 2.06 C ATOM 2581 CD PRO A 165 -7.016 8.494 -1.318 1.00 1.41 C ATOM 0 HA PRO A 165 -8.974 6.125 -2.125 1.00 1.06 H new ATOM 0 HB2 PRO A 165 -6.360 5.862 -0.543 1.00 1.45 H new ATOM 0 HB3 PRO A 165 -6.691 5.273 -2.160 1.00 1.45 H new ATOM 0 HG2 PRO A 165 -5.215 7.451 -1.916 1.00 2.06 H new ATOM 0 HG3 PRO A 165 -6.474 7.446 -3.134 1.00 2.06 H new ATOM 0 HD2 PRO A 165 -6.518 8.742 -0.380 1.00 1.41 H new ATOM 0 HD3 PRO A 165 -7.063 9.410 -1.906 1.00 1.41 H new ATOM 2589 N LYS A 166 -9.793 4.648 -0.392 1.00 0.54 N ATOM 2590 CA LYS A 166 -10.501 3.828 0.633 1.00 0.47 C ATOM 2591 C LYS A 166 -9.612 2.765 1.349 1.00 0.42 C ATOM 2592 O LYS A 166 -9.435 2.849 2.566 1.00 0.47 O ATOM 2593 CB LYS A 166 -11.733 3.142 0.000 1.00 0.82 C ATOM 2594 CG LYS A 166 -12.769 4.112 -0.635 1.00 1.30 C ATOM 2595 CD LYS A 166 -13.739 4.756 0.398 1.00 1.83 C ATOM 2596 CE LYS A 166 -14.958 3.864 0.709 1.00 2.33 C ATOM 2597 NZ LYS A 166 -15.837 3.700 -0.480 1.00 3.00 N ATOM 0 H LYS A 166 -10.055 4.415 -1.350 1.00 0.54 H new ATOM 0 HA LYS A 166 -10.803 4.530 1.411 1.00 0.47 H new ATOM 0 HB2 LYS A 166 -11.390 2.448 -0.767 1.00 0.82 H new ATOM 0 HB3 LYS A 166 -12.234 2.549 0.766 1.00 0.82 H new ATOM 0 HG2 LYS A 166 -12.237 4.903 -1.162 1.00 1.30 H new ATOM 0 HG3 LYS A 166 -13.353 3.570 -1.379 1.00 1.30 H new ATOM 0 HD2 LYS A 166 -13.197 4.958 1.322 1.00 1.83 H new ATOM 0 HD3 LYS A 166 -14.085 5.716 0.015 1.00 1.83 H new ATOM 0 HE2 LYS A 166 -14.616 2.886 1.047 1.00 2.33 H new ATOM 0 HE3 LYS A 166 -15.530 4.302 1.527 1.00 2.33 H new ATOM 0 HZ1 LYS A 166 -16.830 3.652 -0.174 1.00 3.00 H new ATOM 0 HZ2 LYS A 166 -15.711 4.511 -1.119 1.00 3.00 H new ATOM 0 HZ3 LYS A 166 -15.586 2.823 -0.979 1.00 3.00 H new ATOM 2611 N VAL A 167 -9.063 1.771 0.600 1.00 0.39 N ATOM 2612 CA VAL A 167 -8.175 0.737 1.215 1.00 0.38 C ATOM 2613 C VAL A 167 -6.697 0.974 0.762 1.00 0.34 C ATOM 2614 O VAL A 167 -6.401 1.059 -0.440 1.00 0.33 O ATOM 2615 CB VAL A 167 -8.656 -0.774 0.894 1.00 0.45 C ATOM 2616 CG1 VAL A 167 -7.813 -1.874 1.604 1.00 0.80 C ATOM 2617 CG2 VAL A 167 -10.133 -1.049 1.278 1.00 0.58 C ATOM 0 H VAL A 167 -9.211 1.661 -0.403 1.00 0.39 H new ATOM 0 HA VAL A 167 -8.240 0.846 2.298 1.00 0.38 H new ATOM 0 HB VAL A 167 -8.520 -0.834 -0.186 1.00 0.45 H new ATOM 0 HG11 VAL A 167 -8.200 -2.858 1.337 1.00 0.80 H new ATOM 0 HG12 VAL A 167 -6.773 -1.795 1.289 1.00 0.80 H new ATOM 0 HG13 VAL A 167 -7.876 -1.740 2.684 1.00 0.80 H new ATOM 0 HG21 VAL A 167 -10.386 -2.081 1.035 1.00 0.58 H new ATOM 0 HG22 VAL A 167 -10.268 -0.885 2.347 1.00 0.58 H new ATOM 0 HG23 VAL A 167 -10.785 -0.375 0.722 1.00 0.58 H new ATOM 2627 N CYS A 168 -5.800 0.944 1.777 1.00 0.35 N ATOM 2628 CA CYS A 168 -4.357 1.153 1.593 1.00 0.35 C ATOM 2629 C CYS A 168 -3.550 0.078 2.355 1.00 0.36 C ATOM 2630 O CYS A 168 -3.558 0.019 3.586 1.00 0.48 O ATOM 2631 CB CYS A 168 -4.001 2.545 2.090 1.00 0.37 C ATOM 2632 SG CYS A 168 -2.568 3.293 1.279 1.00 0.87 S ATOM 0 H CYS A 168 -6.065 0.773 2.747 1.00 0.35 H new ATOM 0 HA CYS A 168 -4.105 1.066 0.536 1.00 0.35 H new ATOM 0 HB2 CYS A 168 -4.863 3.198 1.950 1.00 0.37 H new ATOM 0 HB3 CYS A 168 -3.810 2.496 3.162 1.00 0.37 H new ATOM 0 HG CYS A 168 -2.857 3.552 0.038 1.00 0.87 H new ATOM 2638 N ALA A 169 -2.816 -0.738 1.573 1.00 0.29 N ATOM 2639 CA ALA A 169 -2.037 -1.920 2.043 1.00 0.29 C ATOM 2640 C ALA A 169 -0.476 -1.830 1.883 1.00 0.25 C ATOM 2641 O ALA A 169 0.156 -2.665 1.194 1.00 0.26 O ATOM 2642 CB ALA A 169 -2.640 -3.226 1.495 1.00 0.34 C ATOM 0 H ALA A 169 -2.741 -0.596 0.566 1.00 0.29 H new ATOM 0 HA ALA A 169 -2.148 -1.922 3.127 1.00 0.29 H new ATOM 0 HB1 ALA A 169 -2.055 -4.074 1.851 1.00 0.34 H new ATOM 0 HB2 ALA A 169 -3.669 -3.324 1.840 1.00 0.34 H new ATOM 0 HB3 ALA A 169 -2.623 -3.205 0.405 1.00 0.34 H new ATOM 2648 N LEU A 170 0.116 -0.689 2.351 1.00 0.22 N ATOM 2649 CA LEU A 170 1.599 -0.378 2.328 1.00 0.21 C ATOM 2650 C LEU A 170 2.564 -1.534 2.744 1.00 0.19 C ATOM 2651 O LEU A 170 2.313 -2.267 3.707 1.00 0.34 O ATOM 2652 CB LEU A 170 1.874 0.780 3.310 1.00 0.31 C ATOM 2653 CG LEU A 170 2.328 2.168 2.745 1.00 0.38 C ATOM 2654 CD1 LEU A 170 3.593 2.080 1.871 1.00 0.50 C ATOM 2655 CD2 LEU A 170 1.204 2.856 1.960 1.00 0.70 C ATOM 0 H LEU A 170 -0.431 0.065 2.767 1.00 0.22 H new ATOM 0 HA LEU A 170 1.807 -0.156 1.281 1.00 0.21 H new ATOM 0 HB2 LEU A 170 0.965 0.943 3.889 1.00 0.31 H new ATOM 0 HB3 LEU A 170 2.640 0.443 4.008 1.00 0.31 H new ATOM 0 HG LEU A 170 2.573 2.771 3.620 1.00 0.38 H new ATOM 0 HD11 LEU A 170 3.856 3.074 1.510 1.00 0.50 H new ATOM 0 HD12 LEU A 170 4.416 1.679 2.462 1.00 0.50 H new ATOM 0 HD13 LEU A 170 3.403 1.424 1.021 1.00 0.50 H new ATOM 0 HD21 LEU A 170 1.558 3.816 1.584 1.00 0.70 H new ATOM 0 HD22 LEU A 170 0.907 2.225 1.122 1.00 0.70 H new ATOM 0 HD23 LEU A 170 0.348 3.016 2.615 1.00 0.70 H new ATOM 2667 N PHE A 171 3.659 -1.664 1.987 1.00 0.16 N ATOM 2668 CA PHE A 171 4.676 -2.695 2.226 1.00 0.14 C ATOM 2669 C PHE A 171 6.058 -2.224 1.711 1.00 0.14 C ATOM 2670 O PHE A 171 6.320 -2.291 0.505 1.00 0.19 O ATOM 2671 CB PHE A 171 4.225 -4.014 1.512 1.00 0.17 C ATOM 2672 CG PHE A 171 5.256 -5.153 1.418 1.00 0.16 C ATOM 2673 CD1 PHE A 171 6.171 -5.396 2.443 1.00 0.15 C ATOM 2674 CD2 PHE A 171 5.303 -5.980 0.291 1.00 0.20 C ATOM 2675 CE1 PHE A 171 7.093 -6.413 2.346 1.00 0.15 C ATOM 2676 CE2 PHE A 171 6.230 -7.004 0.199 1.00 0.21 C ATOM 2677 CZ PHE A 171 7.125 -7.217 1.231 1.00 0.17 C ATOM 0 H PHE A 171 3.865 -1.059 1.192 1.00 0.16 H new ATOM 0 HA PHE A 171 4.775 -2.880 3.296 1.00 0.14 H new ATOM 0 HB2 PHE A 171 3.347 -4.396 2.032 1.00 0.17 H new ATOM 0 HB3 PHE A 171 3.910 -3.759 0.500 1.00 0.17 H new ATOM 0 HD1 PHE A 171 6.155 -4.776 3.327 1.00 0.15 H new ATOM 0 HD2 PHE A 171 4.607 -5.817 -0.518 1.00 0.20 H new ATOM 0 HE1 PHE A 171 7.795 -6.580 3.150 1.00 0.15 H new ATOM 0 HE2 PHE A 171 6.254 -7.635 -0.677 1.00 0.21 H new ATOM 0 HZ PHE A 171 7.849 -8.015 1.161 1.00 0.17 H new ATOM 2687 N ILE A 172 6.948 -1.741 2.618 1.00 0.10 N ATOM 2688 CA ILE A 172 8.309 -1.366 2.184 1.00 0.10 C ATOM 2689 C ILE A 172 9.393 -2.360 2.753 1.00 0.08 C ATOM 2690 O ILE A 172 9.562 -2.546 3.994 1.00 0.08 O ATOM 2691 CB ILE A 172 8.731 0.189 2.335 1.00 0.13 C ATOM 2692 CG1 ILE A 172 9.992 0.463 1.377 1.00 0.14 C ATOM 2693 CG2 ILE A 172 8.949 0.651 3.820 1.00 0.22 C ATOM 2694 CD1 ILE A 172 10.526 1.913 1.236 1.00 0.31 C ATOM 0 H ILE A 172 6.755 -1.608 3.611 1.00 0.10 H new ATOM 0 HA ILE A 172 8.270 -1.477 1.100 1.00 0.10 H new ATOM 0 HB ILE A 172 7.898 0.813 2.013 1.00 0.13 H new ATOM 0 HG12 ILE A 172 10.815 -0.158 1.730 1.00 0.14 H new ATOM 0 HG13 ILE A 172 9.731 0.110 0.379 1.00 0.14 H new ATOM 0 HG21 ILE A 172 9.229 1.704 3.836 1.00 0.22 H new ATOM 0 HG22 ILE A 172 8.026 0.513 4.383 1.00 0.22 H new ATOM 0 HG23 ILE A 172 9.743 0.057 4.273 1.00 0.22 H new ATOM 0 HD11 ILE A 172 11.377 1.923 0.555 1.00 0.31 H new ATOM 0 HD12 ILE A 172 9.738 2.554 0.841 1.00 0.31 H new ATOM 0 HD13 ILE A 172 10.839 2.282 2.213 1.00 0.31 H new ATOM 2706 N MET A 173 10.118 -2.955 1.808 1.00 0.09 N ATOM 2707 CA MET A 173 11.194 -3.908 2.104 1.00 0.11 C ATOM 2708 C MET A 173 12.529 -3.440 1.462 1.00 0.13 C ATOM 2709 O MET A 173 12.527 -2.570 0.578 1.00 0.21 O ATOM 2710 CB MET A 173 10.781 -5.337 1.668 1.00 0.15 C ATOM 2711 CG MET A 173 10.172 -5.436 0.249 1.00 0.17 C ATOM 2712 SD MET A 173 11.402 -5.423 -1.074 1.00 0.44 S ATOM 2713 CE MET A 173 12.373 -6.877 -0.689 1.00 0.26 C ATOM 0 H MET A 173 9.978 -2.791 0.811 1.00 0.09 H new ATOM 0 HA MET A 173 11.363 -3.943 3.180 1.00 0.11 H new ATOM 0 HB2 MET A 173 11.657 -5.983 1.717 1.00 0.15 H new ATOM 0 HB3 MET A 173 10.058 -5.725 2.385 1.00 0.15 H new ATOM 0 HG2 MET A 173 9.586 -6.352 0.178 1.00 0.17 H new ATOM 0 HG3 MET A 173 9.483 -4.604 0.100 1.00 0.17 H new ATOM 0 HE1 MET A 173 12.849 -7.248 -1.597 1.00 0.26 H new ATOM 0 HE2 MET A 173 13.139 -6.620 0.043 1.00 0.26 H new ATOM 0 HE3 MET A 173 11.723 -7.650 -0.278 1.00 0.26 H new ATOM 2723 N LYS A 174 13.670 -4.019 1.881 1.00 0.12 N ATOM 2724 CA LYS A 174 14.963 -3.525 1.377 1.00 0.19 C ATOM 2725 C LYS A 174 15.903 -4.515 0.635 1.00 0.16 C ATOM 2726 O LYS A 174 15.835 -5.744 0.736 1.00 0.17 O ATOM 2727 CB LYS A 174 15.744 -2.842 2.544 1.00 0.38 C ATOM 2728 CG LYS A 174 16.512 -3.821 3.468 1.00 0.54 C ATOM 2729 CD LYS A 174 17.282 -3.124 4.621 1.00 0.57 C ATOM 2730 CE LYS A 174 18.563 -2.407 4.154 1.00 0.49 C ATOM 2731 NZ LYS A 174 19.410 -2.008 5.307 1.00 1.26 N ATOM 0 H LYS A 174 13.725 -4.796 2.539 1.00 0.12 H new ATOM 0 HA LYS A 174 14.669 -2.834 0.587 1.00 0.19 H new ATOM 0 HB2 LYS A 174 16.453 -2.131 2.121 1.00 0.38 H new ATOM 0 HB3 LYS A 174 15.040 -2.270 3.148 1.00 0.38 H new ATOM 0 HG2 LYS A 174 15.805 -4.533 3.894 1.00 0.54 H new ATOM 0 HG3 LYS A 174 17.218 -4.394 2.867 1.00 0.54 H new ATOM 0 HD2 LYS A 174 16.624 -2.400 5.102 1.00 0.57 H new ATOM 0 HD3 LYS A 174 17.544 -3.867 5.374 1.00 0.57 H new ATOM 0 HE2 LYS A 174 19.130 -3.064 3.494 1.00 0.49 H new ATOM 0 HE3 LYS A 174 18.297 -1.524 3.573 1.00 0.49 H new ATOM 0 HZ1 LYS A 174 20.265 -1.528 4.960 1.00 1.26 H new ATOM 0 HZ2 LYS A 174 18.876 -1.362 5.923 1.00 1.26 H new ATOM 0 HZ3 LYS A 174 19.683 -2.854 5.846 1.00 1.26 H new ATOM 2745 N GLY A 175 16.781 -3.836 -0.106 1.00 0.14 N ATOM 2746 CA GLY A 175 17.916 -4.372 -0.867 1.00 0.15 C ATOM 2747 C GLY A 175 17.793 -4.481 -2.400 1.00 0.13 C ATOM 2748 O GLY A 175 18.702 -3.960 -3.059 1.00 0.17 O ATOM 0 H GLY A 175 16.714 -2.822 -0.198 1.00 0.14 H new ATOM 0 HA2 GLY A 175 18.784 -3.750 -0.648 1.00 0.15 H new ATOM 0 HA3 GLY A 175 18.132 -5.368 -0.481 1.00 0.15 H new ATOM 2752 N THR A 176 16.624 -4.943 -2.966 1.00 0.11 N ATOM 2753 CA THR A 176 16.418 -5.090 -4.465 1.00 0.10 C ATOM 2754 C THR A 176 15.006 -5.616 -4.822 1.00 0.10 C ATOM 2755 O THR A 176 14.343 -6.282 -4.017 1.00 0.13 O ATOM 2756 CB THR A 176 17.438 -6.047 -5.217 1.00 0.12 C ATOM 2757 OG1 THR A 176 18.056 -7.007 -4.337 1.00 0.15 O ATOM 2758 CG2 THR A 176 18.535 -5.280 -5.996 1.00 0.15 C ATOM 0 H THR A 176 15.812 -5.220 -2.415 1.00 0.11 H new ATOM 0 HA THR A 176 16.580 -4.067 -4.806 1.00 0.10 H new ATOM 0 HB THR A 176 16.823 -6.584 -5.939 1.00 0.12 H new ATOM 0 HG1 THR A 176 18.672 -7.571 -4.849 1.00 0.15 H new ATOM 0 HG21 THR A 176 19.198 -5.992 -6.487 1.00 0.15 H new ATOM 0 HG22 THR A 176 18.069 -4.642 -6.747 1.00 0.15 H new ATOM 0 HG23 THR A 176 19.111 -4.666 -5.304 1.00 0.15 H new ATOM 2766 N ALA A 177 14.565 -5.315 -6.089 1.00 0.10 N ATOM 2767 CA ALA A 177 13.256 -5.771 -6.668 1.00 0.11 C ATOM 2768 C ALA A 177 13.222 -7.292 -7.097 1.00 0.15 C ATOM 2769 O ALA A 177 12.141 -7.871 -7.286 1.00 0.17 O ATOM 2770 CB ALA A 177 12.892 -4.857 -7.861 1.00 0.15 C ATOM 0 H ALA A 177 15.111 -4.747 -6.737 1.00 0.10 H new ATOM 0 HA ALA A 177 12.514 -5.689 -5.874 1.00 0.11 H new ATOM 0 HB1 ALA A 177 11.943 -5.179 -8.290 1.00 0.15 H new ATOM 0 HB2 ALA A 177 12.804 -3.827 -7.516 1.00 0.15 H new ATOM 0 HB3 ALA A 177 13.672 -4.920 -8.619 1.00 0.15 H new ATOM 2776 N ASP A 178 14.420 -7.939 -7.220 1.00 0.19 N ATOM 2777 CA ASP A 178 14.550 -9.387 -7.571 1.00 0.24 C ATOM 2778 C ASP A 178 14.516 -10.352 -6.332 1.00 0.26 C ATOM 2779 O ASP A 178 14.680 -11.568 -6.484 1.00 0.31 O ATOM 2780 CB ASP A 178 15.853 -9.613 -8.355 1.00 0.31 C ATOM 2781 CG ASP A 178 15.659 -9.582 -9.867 1.00 0.42 C ATOM 2782 OD1 ASP A 178 15.619 -8.471 -10.437 1.00 0.51 O ATOM 2783 OD2 ASP A 178 15.547 -10.668 -10.473 1.00 0.55 O ATOM 0 H ASP A 178 15.317 -7.474 -7.079 1.00 0.19 H new ATOM 0 HA ASP A 178 13.678 -9.631 -8.177 1.00 0.24 H new ATOM 0 HB2 ASP A 178 16.576 -8.848 -8.073 1.00 0.31 H new ATOM 0 HB3 ASP A 178 16.279 -10.575 -8.070 1.00 0.31 H new ATOM 2788 N ASP A 179 14.292 -9.791 -5.119 1.00 0.24 N ATOM 2789 CA ASP A 179 14.229 -10.556 -3.849 1.00 0.31 C ATOM 2790 C ASP A 179 12.787 -10.686 -3.254 1.00 0.32 C ATOM 2791 O ASP A 179 12.608 -11.342 -2.227 1.00 0.44 O ATOM 2792 CB ASP A 179 15.136 -9.873 -2.818 1.00 0.37 C ATOM 2793 CG ASP A 179 16.229 -10.788 -2.272 1.00 0.48 C ATOM 2794 OD1 ASP A 179 17.297 -10.886 -2.911 1.00 0.52 O ATOM 2795 OD2 ASP A 179 16.010 -11.403 -1.206 1.00 0.60 O ATOM 0 H ASP A 179 14.149 -8.789 -4.993 1.00 0.24 H new ATOM 0 HA ASP A 179 14.561 -11.569 -4.076 1.00 0.31 H new ATOM 0 HB2 ASP A 179 15.599 -8.999 -3.275 1.00 0.37 H new ATOM 0 HB3 ASP A 179 14.526 -9.514 -1.989 1.00 0.37 H new ATOM 2800 N VAL A 180 11.784 -10.036 -3.896 1.00 0.24 N ATOM 2801 CA VAL A 180 10.335 -10.070 -3.473 1.00 0.29 C ATOM 2802 C VAL A 180 9.559 -11.272 -4.147 1.00 0.50 C ATOM 2803 O VAL A 180 9.061 -11.117 -5.268 1.00 0.95 O ATOM 2804 CB VAL A 180 9.493 -8.724 -3.785 1.00 0.27 C ATOM 2805 CG1 VAL A 180 8.755 -8.212 -2.531 1.00 0.48 C ATOM 2806 CG2 VAL A 180 10.298 -7.531 -4.374 1.00 0.50 C ATOM 0 H VAL A 180 11.944 -9.467 -4.727 1.00 0.24 H new ATOM 0 HA VAL A 180 10.397 -10.184 -2.391 1.00 0.29 H new ATOM 0 HB VAL A 180 8.801 -9.054 -4.560 1.00 0.27 H new ATOM 0 HG11 VAL A 180 8.201 -7.307 -2.779 1.00 0.48 H new ATOM 0 HG12 VAL A 180 8.063 -8.977 -2.179 1.00 0.48 H new ATOM 0 HG13 VAL A 180 9.480 -7.990 -1.748 1.00 0.48 H new ATOM 0 HG21 VAL A 180 9.628 -6.687 -4.541 1.00 0.50 H new ATOM 0 HG22 VAL A 180 11.081 -7.240 -3.674 1.00 0.50 H new ATOM 0 HG23 VAL A 180 10.750 -7.829 -5.320 1.00 0.50 H new ATOM 2816 N PRO A 181 9.451 -12.488 -3.487 1.00 0.59 N ATOM 2817 CA PRO A 181 8.716 -13.649 -4.051 1.00 0.75 C ATOM 2818 C PRO A 181 7.247 -13.786 -3.568 1.00 1.31 C ATOM 2819 O PRO A 181 6.983 -13.917 -2.368 1.00 1.80 O ATOM 2820 CB PRO A 181 9.565 -14.829 -3.550 1.00 1.20 C ATOM 2821 CG PRO A 181 10.058 -14.396 -2.186 1.00 1.57 C ATOM 2822 CD PRO A 181 10.094 -12.862 -2.197 1.00 1.05 C ATOM 0 HA PRO A 181 8.609 -13.570 -5.133 1.00 0.75 H new ATOM 0 HB2 PRO A 181 8.974 -15.743 -3.486 1.00 1.20 H new ATOM 0 HB3 PRO A 181 10.396 -15.034 -4.225 1.00 1.20 H new ATOM 0 HG2 PRO A 181 9.396 -14.762 -1.401 1.00 1.57 H new ATOM 0 HG3 PRO A 181 11.048 -14.805 -1.984 1.00 1.57 H new ATOM 0 HD2 PRO A 181 9.553 -12.445 -1.347 1.00 1.05 H new ATOM 0 HD3 PRO A 181 11.116 -12.488 -2.139 1.00 1.05 H new ATOM 2830 N MET A 182 6.308 -13.741 -4.529 1.00 1.54 N ATOM 2831 CA MET A 182 4.867 -13.866 -4.239 1.00 2.26 C ATOM 2832 C MET A 182 4.140 -14.631 -5.354 1.00 2.40 C ATOM 2833 O MET A 182 3.979 -14.127 -6.472 1.00 2.49 O ATOM 2834 CB MET A 182 4.218 -12.475 -4.048 1.00 2.82 C ATOM 2835 CG MET A 182 4.402 -11.866 -2.649 1.00 3.46 C ATOM 2836 SD MET A 182 3.700 -10.210 -2.515 1.00 4.01 S ATOM 2837 CE MET A 182 3.913 -9.884 -0.764 1.00 4.96 C ATOM 0 H MET A 182 6.522 -13.618 -5.519 1.00 1.54 H new ATOM 0 HA MET A 182 4.770 -14.430 -3.311 1.00 2.26 H new ATOM 0 HB2 MET A 182 4.636 -11.790 -4.785 1.00 2.82 H new ATOM 0 HB3 MET A 182 3.151 -12.555 -4.257 1.00 2.82 H new ATOM 0 HG2 MET A 182 3.934 -12.516 -1.910 1.00 3.46 H new ATOM 0 HG3 MET A 182 5.465 -11.826 -2.411 1.00 3.46 H new ATOM 0 HE1 MET A 182 3.525 -8.893 -0.528 1.00 4.96 H new ATOM 0 HE2 MET A 182 3.371 -10.633 -0.186 1.00 4.96 H new ATOM 0 HE3 MET A 182 4.973 -9.928 -0.512 1.00 4.96 H new ATOM 2847 N LEU A 183 3.705 -15.859 -5.028 1.00 2.65 N ATOM 2848 CA LEU A 183 2.987 -16.728 -5.981 1.00 2.86 C ATOM 2849 C LEU A 183 1.754 -17.413 -5.349 1.00 3.61 C ATOM 2850 O LEU A 183 1.600 -17.492 -4.122 1.00 4.00 O ATOM 2851 CB LEU A 183 3.942 -17.812 -6.580 1.00 2.51 C ATOM 2852 CG LEU A 183 4.792 -18.635 -5.560 1.00 2.24 C ATOM 2853 CD1 LEU A 183 4.606 -20.141 -5.753 1.00 2.43 C ATOM 2854 CD2 LEU A 183 6.281 -18.287 -5.659 1.00 2.58 C ATOM 0 H LEU A 183 3.838 -16.276 -4.107 1.00 2.65 H new ATOM 0 HA LEU A 183 2.631 -16.077 -6.779 1.00 2.86 H new ATOM 0 HB2 LEU A 183 3.342 -18.509 -7.165 1.00 2.51 H new ATOM 0 HB3 LEU A 183 4.624 -17.320 -7.273 1.00 2.51 H new ATOM 0 HG LEU A 183 4.432 -18.364 -4.568 1.00 2.24 H new ATOM 0 HD11 LEU A 183 5.213 -20.679 -5.025 1.00 2.43 H new ATOM 0 HD12 LEU A 183 3.557 -20.399 -5.611 1.00 2.43 H new ATOM 0 HD13 LEU A 183 4.915 -20.420 -6.760 1.00 2.43 H new ATOM 0 HD21 LEU A 183 6.842 -18.878 -4.935 1.00 2.58 H new ATOM 0 HD22 LEU A 183 6.640 -18.508 -6.664 1.00 2.58 H new ATOM 0 HD23 LEU A 183 6.422 -17.227 -5.448 1.00 2.58 H new ATOM 2866 N GLN A 184 0.885 -17.923 -6.237 1.00 3.87 N ATOM 2867 CA GLN A 184 -0.352 -18.639 -5.859 1.00 4.58 C ATOM 2868 C GLN A 184 -0.223 -20.162 -6.158 1.00 4.68 C ATOM 2869 O GLN A 184 0.630 -20.552 -6.971 1.00 4.25 O ATOM 2870 CB GLN A 184 -1.532 -18.037 -6.656 1.00 4.95 C ATOM 2871 CG GLN A 184 -2.176 -16.786 -6.020 1.00 5.32 C ATOM 2872 CD GLN A 184 -3.022 -17.109 -4.797 1.00 5.82 C ATOM 2873 OE1 GLN A 184 -4.215 -17.390 -4.912 1.00 6.06 O ATOM 2874 NE2 GLN A 184 -2.409 -17.064 -3.619 1.00 6.27 N ATOM 0 H GLN A 184 1.019 -17.851 -7.246 1.00 3.87 H new ATOM 0 HA GLN A 184 -0.526 -18.523 -4.789 1.00 4.58 H new ATOM 0 HB2 GLN A 184 -1.182 -17.779 -7.656 1.00 4.95 H new ATOM 0 HB3 GLN A 184 -2.299 -18.802 -6.774 1.00 4.95 H new ATOM 0 HG2 GLN A 184 -1.391 -16.084 -5.737 1.00 5.32 H new ATOM 0 HG3 GLN A 184 -2.797 -16.286 -6.763 1.00 5.32 H new ATOM 0 HE21 GLN A 184 -1.418 -16.827 -3.568 1.00 6.27 H new ATOM 0 HE22 GLN A 184 -2.929 -17.267 -2.765 1.00 6.27 H new ATOM 2883 N PRO A 185 -1.058 -21.077 -5.519 1.00 5.36 N ATOM 2884 CA PRO A 185 -0.974 -22.560 -5.765 1.00 5.62 C ATOM 2885 C PRO A 185 -1.379 -23.014 -7.182 1.00 5.52 C ATOM 2886 O PRO A 185 -2.496 -22.757 -7.642 1.00 5.77 O ATOM 2887 CB PRO A 185 -1.965 -23.163 -4.755 1.00 6.42 C ATOM 2888 CG PRO A 185 -2.916 -22.039 -4.442 1.00 6.59 C ATOM 2889 CD PRO A 185 -2.073 -20.777 -4.471 1.00 5.99 C ATOM 0 HA PRO A 185 0.062 -22.881 -5.659 1.00 5.62 H new ATOM 0 HB2 PRO A 185 -2.489 -24.020 -5.177 1.00 6.42 H new ATOM 0 HB3 PRO A 185 -1.454 -23.512 -3.858 1.00 6.42 H new ATOM 0 HG2 PRO A 185 -3.721 -21.990 -5.175 1.00 6.59 H new ATOM 0 HG3 PRO A 185 -3.381 -22.178 -3.466 1.00 6.59 H new ATOM 0 HD2 PRO A 185 -2.668 -19.900 -4.725 1.00 5.99 H new ATOM 0 HD3 PRO A 185 -1.609 -20.579 -3.505 1.00 5.99 H new ATOM 2897 N HIS A 186 -0.434 -23.684 -7.846 1.00 5.25 N ATOM 2898 CA HIS A 186 -0.644 -24.183 -9.200 1.00 5.19 C ATOM 2899 C HIS A 186 -0.114 -25.647 -9.348 1.00 5.51 C ATOM 2900 O HIS A 186 0.995 -25.951 -8.888 1.00 5.51 O ATOM 2901 CB HIS A 186 0.046 -23.230 -10.217 1.00 4.55 C ATOM 2902 CG HIS A 186 -0.442 -23.386 -11.642 1.00 4.63 C ATOM 2903 ND1 HIS A 186 -0.235 -24.530 -12.385 1.00 4.77 N ATOM 2904 CD2 HIS A 186 -1.191 -22.570 -12.426 1.00 4.82 C ATOM 2905 CE1 HIS A 186 -0.836 -24.422 -13.547 1.00 4.89 C ATOM 2906 NE2 HIS A 186 -1.423 -23.240 -13.604 1.00 4.96 N ATOM 0 H HIS A 186 0.488 -23.892 -7.462 1.00 5.25 H new ATOM 0 HA HIS A 186 -1.714 -24.205 -9.408 1.00 5.19 H new ATOM 0 HB2 HIS A 186 -0.116 -22.200 -9.900 1.00 4.55 H new ATOM 0 HB3 HIS A 186 1.121 -23.406 -10.192 1.00 4.55 H new ATOM 0 HD1 HIS A 186 0.305 -25.339 -12.077 1.00 4.77 H new ATOM 0 HD2 HIS A 186 -1.540 -21.580 -12.172 1.00 4.82 H new ATOM 0 HE1 HIS A 186 -0.848 -25.172 -14.324 1.00 4.89 H new ATOM 2915 N PRO A 187 -0.890 -26.587 -10.013 1.00 5.90 N ATOM 2916 CA PRO A 187 -0.459 -28.012 -10.231 1.00 6.31 C ATOM 2917 C PRO A 187 0.433 -28.225 -11.491 1.00 6.06 C ATOM 2918 O PRO A 187 1.075 -27.287 -11.973 1.00 5.96 O ATOM 2919 CB PRO A 187 -1.824 -28.697 -10.442 1.00 6.77 C ATOM 2920 CG PRO A 187 -2.567 -27.688 -11.258 1.00 6.43 C ATOM 2921 CD PRO A 187 -2.281 -26.382 -10.538 1.00 6.09 C ATOM 0 HA PRO A 187 0.155 -28.387 -9.412 1.00 6.31 H new ATOM 0 HB2 PRO A 187 -1.725 -29.648 -10.965 1.00 6.77 H new ATOM 0 HB3 PRO A 187 -2.325 -28.904 -9.496 1.00 6.77 H new ATOM 0 HG2 PRO A 187 -2.214 -27.665 -12.289 1.00 6.43 H new ATOM 0 HG3 PRO A 187 -3.635 -27.904 -11.291 1.00 6.43 H new ATOM 0 HD2 PRO A 187 -2.336 -25.528 -11.213 1.00 6.09 H new ATOM 0 HD3 PRO A 187 -2.994 -26.199 -9.734 1.00 6.09 H new ATOM 2929 N GLY A 188 0.462 -29.466 -11.994 1.00 6.19 N ATOM 2930 CA GLY A 188 1.218 -29.771 -13.194 1.00 6.09 C ATOM 2931 C GLY A 188 1.255 -31.258 -13.525 1.00 6.57 C ATOM 2932 O GLY A 188 0.213 -31.922 -13.594 1.00 7.02 O ATOM 0 H GLY A 188 -0.028 -30.262 -11.586 1.00 6.19 H new ATOM 0 HA2 GLY A 188 0.784 -29.230 -14.035 1.00 6.09 H new ATOM 0 HA3 GLY A 188 2.239 -29.408 -13.074 1.00 6.09 H new ATOM 2936 N LEU A 189 2.474 -31.771 -13.747 1.00 6.77 N ATOM 2937 CA LEU A 189 2.695 -33.194 -14.074 1.00 7.51 C ATOM 2938 C LEU A 189 3.571 -33.898 -13.021 1.00 7.90 C ATOM 2939 O LEU A 189 4.699 -33.471 -12.741 1.00 7.97 O ATOM 2940 CB LEU A 189 3.345 -33.330 -15.468 1.00 7.96 C ATOM 2941 CG LEU A 189 2.452 -32.961 -16.688 1.00 8.35 C ATOM 2942 CD1 LEU A 189 3.291 -32.416 -17.843 1.00 8.85 C ATOM 2943 CD2 LEU A 189 1.633 -34.161 -17.176 1.00 8.99 C ATOM 0 H LEU A 189 3.331 -31.219 -13.706 1.00 6.77 H new ATOM 0 HA LEU A 189 1.719 -33.680 -14.077 1.00 7.51 H new ATOM 0 HB2 LEU A 189 4.234 -32.700 -15.493 1.00 7.96 H new ATOM 0 HB3 LEU A 189 3.680 -34.360 -15.589 1.00 7.96 H new ATOM 0 HG LEU A 189 1.765 -32.186 -16.349 1.00 8.35 H new ATOM 0 HD11 LEU A 189 2.639 -32.167 -18.680 1.00 8.85 H new ATOM 0 HD12 LEU A 189 3.821 -31.521 -17.517 1.00 8.85 H new ATOM 0 HD13 LEU A 189 4.012 -33.171 -18.156 1.00 8.85 H new ATOM 0 HD21 LEU A 189 1.023 -33.863 -18.029 1.00 8.99 H new ATOM 0 HD22 LEU A 189 2.307 -34.964 -17.475 1.00 8.99 H new ATOM 0 HD23 LEU A 189 0.986 -34.511 -16.372 1.00 8.99 H new ATOM 2955 N GLU A 190 3.036 -34.994 -12.453 1.00 8.45 N ATOM 2956 CA GLU A 190 3.743 -35.783 -11.428 1.00 9.15 C ATOM 2957 C GLU A 190 3.814 -37.265 -11.819 1.00 10.12 C ATOM 2958 O GLU A 190 4.843 -37.676 -12.394 1.00 10.56 O ATOM 2959 CB GLU A 190 3.044 -35.645 -10.059 1.00 9.15 C ATOM 2960 CG GLU A 190 3.132 -34.248 -9.428 1.00 8.88 C ATOM 2961 CD GLU A 190 2.408 -34.167 -8.098 1.00 9.20 C ATOM 2962 OE1 GLU A 190 1.175 -33.962 -8.104 1.00 9.58 O ATOM 2963 OE2 GLU A 190 3.072 -34.311 -7.050 1.00 9.27 O ATOM 2964 OXT GLU A 190 2.838 -37.997 -11.546 1.00 10.60 O ATOM 0 H GLU A 190 2.111 -35.355 -12.688 1.00 8.45 H new ATOM 0 HA GLU A 190 4.758 -35.392 -11.356 1.00 9.15 H new ATOM 0 HB2 GLU A 190 1.993 -35.910 -10.175 1.00 9.15 H new ATOM 0 HB3 GLU A 190 3.481 -36.368 -9.370 1.00 9.15 H new ATOM 0 HG2 GLU A 190 4.179 -33.982 -9.285 1.00 8.88 H new ATOM 0 HG3 GLU A 190 2.708 -33.515 -10.114 1.00 8.88 H new TER 2971 GLU A 190 HETATM 2972 C1 GLC A 191 -18.852 7.568 4.261 1.00 1.34 C HETATM 2973 C2 GLC A 191 -17.405 7.986 3.777 1.00 1.55 C HETATM 2974 C3 GLC A 191 -16.604 6.688 3.306 1.00 1.62 C HETATM 2975 C4 GLC A 191 -16.627 5.523 4.394 1.00 1.59 C HETATM 2976 C5 GLC A 191 -18.134 5.191 4.791 1.00 1.39 C HETATM 2977 C6 GLC A 191 -18.301 4.196 5.979 1.00 1.49 C HETATM 2978 O2 GLC A 191 -17.512 8.859 2.647 1.00 1.64 O HETATM 2979 O3 GLC A 191 -15.249 7.054 3.046 1.00 1.88 O HETATM 2980 O4 GLC A 191 -15.974 4.361 3.867 1.00 1.73 O HETATM 2981 O5 GLC A 191 -18.700 6.486 5.271 1.00 1.36 O HETATM 2982 O6 GLC A 191 -19.341 4.502 6.900 1.00 1.50 O HETATM 0 HO6 GLC A 191 -19.674 5.408 6.729 1.00 1.50 H new HETATM 0 HO4 GLC A 191 -15.987 3.646 4.537 1.00 1.73 H new HETATM 0 HO3 GLC A 191 -14.746 6.264 2.757 1.00 1.88 H new HETATM 0 HO2 GLC A 191 -18.299 8.613 2.117 1.00 1.64 H new HETATM 0 H62 GLC A 191 -18.482 3.201 5.572 1.00 1.49 H new HETATM 0 H61 GLC A 191 -17.359 4.150 6.525 1.00 1.49 H new HETATM 0 H5 GLC A 191 -18.612 4.736 3.923 1.00 1.39 H new HETATM 0 H4 GLC A 191 -16.095 5.845 5.289 1.00 1.59 H new HETATM 0 H3 GLC A 191 -17.092 6.306 2.409 1.00 1.62 H new HETATM 0 H2 GLC A 191 -16.889 8.481 4.600 1.00 1.55 H new HETATM 2994 C2 BGC A 192 -22.873 8.893 1.672 1.00 1.56 C HETATM 2995 C3 BGC A 192 -21.339 8.611 1.984 1.00 1.44 C HETATM 2996 C4 BGC A 192 -21.097 7.518 3.142 1.00 1.26 C HETATM 2997 C5 BGC A 192 -22.006 6.226 2.877 1.00 1.30 C HETATM 2998 C6 BGC A 192 -22.032 5.193 4.046 1.00 1.26 C HETATM 2999 C1 BGC A 192 -23.653 7.545 1.578 1.00 1.63 C HETATM 3000 O1 BGC A 192 -25.026 7.757 1.519 1.00 1.86 O HETATM 3001 O2 BGC A 192 -22.994 9.606 0.443 1.00 1.78 O HETATM 3002 O3 BGC A 192 -20.735 9.835 2.388 1.00 1.54 O HETATM 3003 O4 BGC A 192 -19.670 7.128 3.158 1.00 1.27 O HETATM 3004 O5 BGC A 192 -23.401 6.722 2.771 1.00 1.47 O HETATM 3005 O6 BGC A 192 -23.303 4.628 4.343 1.00 1.46 O HETATM 0 H6C2 BGC A 192 -21.342 4.384 3.806 1.00 1.26 H new HETATM 0 H6C1 BGC A 192 -21.652 5.680 4.945 1.00 1.26 H new HETATM 0 HC BGC A 192 -21.173 10.583 1.930 1.00 1.54 H new HETATM 0 HB BGC A 192 -23.941 9.776 0.255 1.00 1.78 H new HETATM 0 HA BGC A 192 -25.488 6.895 1.460 1.00 1.86 H new HETATM 0 H6 BGC A 192 -23.999 5.114 3.854 1.00 1.46 H new HETATM 0 H5 BGC A 192 -21.600 5.727 1.997 1.00 1.30 H new HETATM 0 H4 BGC A 192 -21.369 7.950 4.105 1.00 1.26 H new HETATM 0 H3 BGC A 192 -20.899 8.206 1.073 1.00 1.44 H new HETATM 0 H2 BGC A 192 -23.294 9.494 2.478 1.00 1.56 H new HETATM 0 H1 BGC A 192 -23.308 7.046 0.673 1.00 1.63 H new