USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1166 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: B 1 MET CE :methyl -137:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.642 (180deg=-1.39) USER MOD Single : A 3 LYS NZ :NH3+ 145:sc= 1.24 (180deg=0.00635) USER MOD Single : A 7 THR OG1 : rot 71:sc= 0.229 USER MOD Single : A 10 SER OG : rot -120:sc= -0.133 USER MOD Single : A 13 GLN : amide:sc= 1.45 K(o=1.5,f=-4.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 1.68 (180deg=1.67) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 34 TYR OH : rot 21:sc= 1.25 USER MOD Single : A 36 SER OG : rot -15:sc= -0.562 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 42 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.5!) USER MOD Single : A 53 LYS NZ :NH3+ -150:sc= 1.1 (180deg=0.157) USER MOD Single : A 55 GLN : amide:sc= -3.22! C(o=-3.2!,f=-3.5!) USER MOD Single : A 56 GLN : amide:sc= -0.291 X(o=-0.29,f=-0.29) USER MOD Single : A 60 SER OG : rot 180:sc= -1.88 USER MOD Single : A 61 HIS : no HE2:sc= -1.39 K(o=-1.4,f=-4.7!) USER MOD Single : A 63 GLN :FLIP amide:sc= -0.16 F(o=-1.5!,f=-0.16) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ 141:sc= 0.607 (180deg=-1.31) USER MOD Single : B 3 LYS NZ :NH3+ 147:sc= 1.28 (180deg=0.0191) USER MOD Single : B 7 THR OG1 : rot 68:sc= 0.223 USER MOD Single : B 10 SER OG : rot -130:sc=-0.00492 USER MOD Single : B 13 GLN : amide:sc= 1.39 K(o=1.4,f=-4.3!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 178:sc= -0.706 (180deg=-0.708) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.203 USER MOD Single : B 34 TYR OH : rot 17:sc= 1.2 USER MOD Single : B 36 SER OG : rot -11:sc= -0.699 USER MOD Single : B 37 GLN : amide:sc= 0 X(o=0,f=-0.0064) USER MOD Single : B 42 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.2!) USER MOD Single : B 45 GLN : amide:sc= -0.163 K(o=-0.16,f=-2.5!) USER MOD Single : B 53 LYS NZ :NH3+ -150:sc= 1.21 (180deg=0.257) USER MOD Single : B 55 GLN : amide:sc= -3.08! C(o=-3.1!,f=-3.3!) USER MOD Single : B 56 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.28) USER MOD Single : B 60 SER OG : rot 180:sc= -1.83 USER MOD Single : B 61 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-4.7!) USER MOD Single : B 63 GLN :FLIP amide:sc= -0.216 F(o=-1.3!,f=-0.22) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.287 -18.949 0.790 1.00 4.10 N ATOM 2 CA MET A 1 -4.056 -18.601 2.191 1.00 3.64 C ATOM 3 C MET A 1 -3.331 -17.334 2.281 1.00 3.20 C ATOM 4 O MET A 1 -2.758 -17.022 3.347 1.00 3.61 O ATOM 5 CB MET A 1 -3.229 -19.710 2.844 1.00 4.44 C ATOM 6 CG MET A 1 -1.847 -19.783 2.192 1.00 5.32 C ATOM 7 SD MET A 1 -0.922 -21.150 2.911 1.00 5.98 S ATOM 8 CE MET A 1 0.530 -20.771 1.918 1.00 6.70 C ATOM 0 H1 MET A 1 -4.214 -19.980 0.672 1.00 4.10 H new ATOM 0 H2 MET A 1 -5.237 -18.634 0.506 1.00 4.10 H new ATOM 0 H3 MET A 1 -3.575 -18.481 0.194 1.00 4.10 H new ATOM 0 HA MET A 1 -5.013 -18.496 2.703 1.00 3.64 H new ATOM 0 HB2 MET A 1 -3.127 -19.518 3.912 1.00 4.44 H new ATOM 0 HB3 MET A 1 -3.741 -20.667 2.739 1.00 4.44 H new ATOM 0 HG2 MET A 1 -1.947 -19.923 1.116 1.00 5.32 H new ATOM 0 HG3 MET A 1 -1.311 -18.846 2.344 1.00 5.32 H new ATOM 0 HE1 MET A 1 1.323 -21.482 2.147 1.00 6.70 H new ATOM 0 HE2 MET A 1 0.276 -20.840 0.860 1.00 6.70 H new ATOM 0 HE3 MET A 1 0.872 -19.761 2.144 1.00 6.70 H new ATOM 20 N GLU A 2 -3.299 -16.495 1.235 1.00 2.52 N ATOM 21 CA GLU A 2 -2.632 -15.252 1.319 1.00 2.21 C ATOM 22 C GLU A 2 -3.590 -14.171 1.554 1.00 1.84 C ATOM 23 O GLU A 2 -3.237 -12.995 1.321 1.00 1.98 O ATOM 24 CB GLU A 2 -1.870 -14.983 0.019 1.00 2.47 C ATOM 25 CG GLU A 2 -2.851 -14.927 -1.152 1.00 2.84 C ATOM 26 CD GLU A 2 -2.998 -16.246 -1.759 1.00 3.40 C ATOM 27 OE1 GLU A 2 -3.396 -17.212 -1.073 1.00 3.74 O ATOM 28 OE2 GLU A 2 -2.729 -16.407 -2.969 1.00 3.98 O ATOM 0 H GLU A 2 -3.737 -16.684 0.334 1.00 2.52 H new ATOM 0 HA GLU A 2 -1.931 -15.291 2.153 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -1.325 -14.042 0.094 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -1.132 -15.767 -0.150 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -3.821 -14.570 -0.805 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -2.497 -14.215 -1.897 1.00 2.84 H new ATOM 35 N LYS A 3 -4.826 -14.442 2.005 1.00 1.84 N ATOM 36 CA LYS A 3 -5.811 -13.443 2.201 1.00 1.95 C ATOM 37 C LYS A 3 -6.112 -12.757 0.947 1.00 1.67 C ATOM 38 O LYS A 3 -6.241 -11.513 0.941 1.00 1.92 O ATOM 39 CB LYS A 3 -5.409 -12.392 3.241 1.00 2.60 C ATOM 40 CG LYS A 3 -5.764 -12.832 4.664 1.00 3.26 C ATOM 41 CD LYS A 3 -4.784 -13.888 5.177 1.00 3.92 C ATOM 42 CE LYS A 3 -5.243 -15.285 4.757 1.00 4.14 C ATOM 43 NZ LYS A 3 -4.360 -16.274 5.373 1.00 4.84 N ATOM 0 H LYS A 3 -5.143 -15.383 2.238 1.00 1.84 H new ATOM 0 HA LYS A 3 -6.690 -13.970 2.573 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -4.337 -12.207 3.175 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -5.909 -11.450 3.017 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -5.752 -11.968 5.328 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -6.777 -13.233 4.681 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -3.787 -13.691 4.783 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -4.714 -13.832 6.263 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -6.274 -15.453 5.068 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -5.218 -15.380 3.671 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -4.908 -17.123 5.620 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -3.606 -16.531 4.704 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -3.937 -15.873 6.234 1.00 4.84 H new ATOM 57 N ARG A 4 -6.240 -13.484 -0.173 1.00 1.50 N ATOM 58 CA ARG A 4 -6.613 -12.922 -1.415 1.00 1.29 C ATOM 59 C ARG A 4 -7.289 -13.963 -2.191 1.00 1.50 C ATOM 60 O ARG A 4 -6.758 -14.410 -3.231 1.00 1.81 O ATOM 61 CB ARG A 4 -5.352 -12.390 -2.105 1.00 1.45 C ATOM 62 CG ARG A 4 -5.478 -12.410 -3.630 1.00 1.70 C ATOM 63 CD ARG A 4 -4.810 -13.686 -4.155 1.00 2.73 C ATOM 64 NE ARG A 4 -4.850 -13.710 -5.564 1.00 3.33 N ATOM 65 CZ ARG A 4 -4.259 -14.710 -6.233 1.00 4.45 C ATOM 66 NH1 ARG A 4 -3.611 -15.679 -5.569 1.00 5.09 N ATOM 67 NH2 ARG A 4 -4.308 -14.740 -7.572 1.00 5.20 N ATOM 0 H ARG A 4 -6.078 -14.490 -0.209 1.00 1.50 H new ATOM 0 HA ARG A 4 -7.301 -12.084 -1.303 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -5.159 -11.370 -1.771 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -4.494 -12.991 -1.805 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -6.527 -12.383 -3.924 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -5.003 -11.529 -4.061 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -3.776 -13.732 -3.812 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -5.318 -14.563 -3.754 1.00 2.73 H new ATOM 0 HE ARG A 4 -5.328 -12.967 -6.074 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -3.566 -15.657 -4.550 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -3.163 -16.438 -6.083 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -4.795 -14.002 -8.081 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -3.859 -15.501 -8.082 1.00 5.20 H new ATOM 81 N PRO A 5 -8.456 -14.472 -1.761 1.00 1.56 N ATOM 82 CA PRO A 5 -9.134 -15.524 -2.422 1.00 1.84 C ATOM 83 C PRO A 5 -9.743 -15.153 -3.671 1.00 1.57 C ATOM 84 O PRO A 5 -9.399 -15.742 -4.684 1.00 1.86 O ATOM 85 CB PRO A 5 -10.167 -15.990 -1.398 1.00 2.15 C ATOM 86 CG PRO A 5 -10.429 -14.735 -0.570 1.00 2.06 C ATOM 87 CD PRO A 5 -9.068 -14.036 -0.547 1.00 1.65 C ATOM 0 HA PRO A 5 -8.437 -16.306 -2.724 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -11.076 -16.352 -1.879 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -9.785 -16.805 -0.783 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -11.196 -14.107 -1.024 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -10.772 -14.981 0.435 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -9.173 -12.952 -0.516 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -8.482 -14.325 0.326 1.00 1.65 H new ATOM 95 N ARG A 6 -10.694 -14.250 -3.764 1.00 1.20 N ATOM 96 CA ARG A 6 -11.279 -14.013 -5.032 1.00 1.13 C ATOM 97 C ARG A 6 -11.063 -12.642 -5.483 1.00 1.07 C ATOM 98 O ARG A 6 -12.068 -11.931 -5.698 1.00 1.44 O ATOM 99 CB ARG A 6 -12.804 -14.182 -5.007 1.00 1.21 C ATOM 100 CG ARG A 6 -13.211 -15.632 -4.746 1.00 1.55 C ATOM 101 CD ARG A 6 -13.394 -15.818 -3.241 1.00 1.87 C ATOM 102 NE ARG A 6 -13.700 -17.164 -2.954 1.00 2.69 N ATOM 103 CZ ARG A 6 -13.908 -17.545 -1.686 1.00 3.24 C ATOM 104 NH1 ARG A 6 -13.830 -16.647 -0.695 1.00 3.20 N ATOM 105 NH2 ARG A 6 -14.196 -18.825 -1.410 1.00 4.22 N ATOM 0 H ARG A 6 -11.059 -13.691 -2.993 1.00 1.20 H new ATOM 0 HA ARG A 6 -10.805 -14.739 -5.693 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -13.228 -13.541 -4.234 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -13.222 -13.853 -5.959 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -14.136 -15.867 -5.272 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -12.448 -16.314 -5.122 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -12.485 -15.524 -2.717 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -14.193 -15.170 -2.881 1.00 1.87 H new ATOM 0 HE ARG A 6 -13.763 -17.846 -3.710 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -13.612 -15.673 -0.905 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -13.988 -16.937 0.270 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -14.257 -19.508 -2.165 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -14.354 -19.116 -0.445 1.00 4.22 H new ATOM 119 N THR A 7 -9.821 -12.181 -5.701 1.00 0.98 N ATOM 120 CA THR A 7 -9.555 -10.898 -6.246 1.00 0.88 C ATOM 121 C THR A 7 -10.480 -9.860 -5.786 1.00 0.88 C ATOM 122 O THR A 7 -11.079 -9.161 -6.633 1.00 0.89 O ATOM 123 CB THR A 7 -9.638 -10.986 -7.773 1.00 0.87 C ATOM 124 OG1 THR A 7 -10.958 -11.336 -8.164 1.00 0.95 O ATOM 125 CG2 THR A 7 -8.675 -12.065 -8.273 1.00 0.90 C ATOM 0 H THR A 7 -8.981 -12.719 -5.491 1.00 0.98 H new ATOM 0 HA THR A 7 -8.560 -10.610 -5.906 1.00 0.88 H new ATOM 0 HB THR A 7 -9.372 -10.019 -8.200 1.00 0.87 H new ATOM 0 HG1 THR A 7 -11.559 -10.579 -8.003 1.00 0.95 H new ATOM 0 HG21 THR A 7 -8.733 -12.129 -9.360 1.00 0.90 H new ATOM 0 HG22 THR A 7 -7.657 -11.809 -7.978 1.00 0.90 H new ATOM 0 HG23 THR A 7 -8.948 -13.026 -7.838 1.00 0.90 H new ATOM 133 N GLU A 8 -10.696 -9.638 -4.482 1.00 0.91 N ATOM 134 CA GLU A 8 -11.624 -8.647 -4.095 1.00 0.98 C ATOM 135 C GLU A 8 -11.092 -7.819 -3.019 1.00 0.96 C ATOM 136 O GLU A 8 -11.665 -7.868 -1.910 1.00 1.30 O ATOM 137 CB GLU A 8 -12.882 -9.351 -3.584 1.00 1.20 C ATOM 138 CG GLU A 8 -12.505 -10.286 -2.434 1.00 1.29 C ATOM 139 CD GLU A 8 -13.699 -10.978 -1.957 1.00 1.75 C ATOM 140 OE1 GLU A 8 -14.655 -10.323 -1.488 1.00 2.22 O ATOM 141 OE2 GLU A 8 -13.767 -12.224 -2.022 1.00 2.27 O ATOM 0 H GLU A 8 -10.238 -10.134 -3.718 1.00 0.91 H new ATOM 0 HA GLU A 8 -11.838 -8.009 -4.952 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -13.612 -8.616 -3.246 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -13.349 -9.917 -4.390 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -11.762 -11.010 -2.768 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -12.053 -9.717 -1.622 1.00 1.29 H new ATOM 148 N PHE A 9 -10.031 -7.021 -3.233 1.00 0.75 N ATOM 149 CA PHE A 9 -9.481 -6.170 -2.237 1.00 0.68 C ATOM 150 C PHE A 9 -9.544 -6.766 -0.903 1.00 0.81 C ATOM 151 O PHE A 9 -10.085 -6.138 0.034 1.00 0.93 O ATOM 152 CB PHE A 9 -10.101 -4.766 -2.251 1.00 0.55 C ATOM 153 CG PHE A 9 -11.534 -4.780 -1.963 1.00 0.57 C ATOM 154 CD1 PHE A 9 -11.981 -4.895 -0.651 1.00 0.87 C ATOM 155 CD2 PHE A 9 -12.454 -4.690 -3.001 1.00 0.82 C ATOM 156 CE1 PHE A 9 -13.344 -4.917 -0.379 1.00 0.92 C ATOM 157 CE2 PHE A 9 -13.816 -4.703 -2.728 1.00 0.89 C ATOM 158 CZ PHE A 9 -14.262 -4.819 -1.417 1.00 0.72 C ATOM 0 H PHE A 9 -9.544 -6.970 -4.128 1.00 0.75 H new ATOM 0 HA PHE A 9 -8.428 -6.054 -2.492 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -9.593 -4.141 -1.516 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -9.935 -4.310 -3.227 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -11.268 -4.967 0.157 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -12.109 -4.610 -4.021 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -13.690 -5.010 0.640 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -14.529 -4.623 -3.535 1.00 0.89 H new ATOM 0 HZ PHE A 9 -15.321 -4.833 -1.205 1.00 0.72 H new ATOM 168 N SER A 10 -9.049 -7.997 -0.704 1.00 0.92 N ATOM 169 CA SER A 10 -9.145 -8.630 0.555 1.00 1.07 C ATOM 170 C SER A 10 -8.141 -8.106 1.476 1.00 0.95 C ATOM 171 O SER A 10 -7.341 -7.234 1.084 1.00 0.79 O ATOM 172 CB SER A 10 -8.944 -10.133 0.375 1.00 1.27 C ATOM 173 OG SER A 10 -9.983 -10.645 -0.445 1.00 1.65 O ATOM 0 H SER A 10 -8.582 -8.550 -1.423 1.00 0.92 H new ATOM 0 HA SER A 10 -10.131 -8.433 0.975 1.00 1.07 H new ATOM 0 HB2 SER A 10 -7.974 -10.331 -0.080 1.00 1.27 H new ATOM 0 HB3 SER A 10 -8.949 -10.632 1.344 1.00 1.27 H new ATOM 0 HG SER A 10 -10.486 -11.325 0.050 1.00 1.65 H new ATOM 179 N GLU A 11 -8.105 -8.549 2.742 1.00 1.08 N ATOM 180 CA GLU A 11 -7.205 -8.032 3.706 1.00 1.08 C ATOM 181 C GLU A 11 -5.837 -7.840 3.224 1.00 0.96 C ATOM 182 O GLU A 11 -5.254 -6.763 3.481 1.00 0.94 O ATOM 183 CB GLU A 11 -7.154 -9.006 4.883 1.00 1.26 C ATOM 184 CG GLU A 11 -6.314 -8.394 6.007 1.00 1.21 C ATOM 185 CD GLU A 11 -6.913 -7.134 6.437 1.00 1.81 C ATOM 186 OE1 GLU A 11 -8.105 -7.103 6.813 1.00 2.60 O ATOM 187 OE2 GLU A 11 -6.226 -6.090 6.454 1.00 2.29 O ATOM 0 H GLU A 11 -8.717 -9.283 3.099 1.00 1.08 H new ATOM 0 HA GLU A 11 -7.582 -7.046 3.978 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -8.162 -9.217 5.240 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -6.723 -9.956 4.566 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -6.254 -9.085 6.848 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -5.294 -8.224 5.661 1.00 1.21 H new ATOM 194 N GLU A 12 -5.197 -8.785 2.518 1.00 0.93 N ATOM 195 CA GLU A 12 -3.857 -8.589 2.110 1.00 0.82 C ATOM 196 C GLU A 12 -3.751 -7.484 1.157 1.00 0.71 C ATOM 197 O GLU A 12 -2.645 -6.942 0.944 1.00 0.70 O ATOM 198 CB GLU A 12 -3.352 -9.857 1.420 1.00 0.85 C ATOM 199 CG GLU A 12 -1.841 -10.017 1.604 1.00 1.17 C ATOM 200 CD GLU A 12 -1.545 -10.278 3.012 1.00 2.13 C ATOM 201 OE1 GLU A 12 -2.117 -11.218 3.605 1.00 2.46 O ATOM 202 OE2 GLU A 12 -0.721 -9.572 3.631 1.00 2.73 O ATOM 0 H GLU A 12 -5.608 -9.675 2.235 1.00 0.93 H new ATOM 0 HA GLU A 12 -3.265 -8.358 2.995 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -3.866 -10.727 1.829 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -3.590 -9.816 0.357 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -1.474 -10.837 0.986 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.326 -9.114 1.275 1.00 1.17 H new ATOM 209 N GLN A 13 -4.843 -7.109 0.474 1.00 0.67 N ATOM 210 CA GLN A 13 -4.814 -6.112 -0.519 1.00 0.57 C ATOM 211 C GLN A 13 -5.408 -4.862 -0.040 1.00 0.52 C ATOM 212 O GLN A 13 -5.416 -3.861 -0.789 1.00 0.47 O ATOM 213 CB GLN A 13 -5.662 -6.652 -1.671 1.00 0.62 C ATOM 214 CG GLN A 13 -5.119 -8.023 -2.080 1.00 0.82 C ATOM 215 CD GLN A 13 -6.016 -8.657 -3.041 1.00 1.48 C ATOM 216 OE1 GLN A 13 -7.178 -8.972 -2.698 1.00 2.34 O ATOM 217 NE2 GLN A 13 -5.588 -8.930 -4.280 1.00 2.04 N ATOM 0 H GLN A 13 -5.766 -7.516 0.624 1.00 0.67 H new ATOM 0 HA GLN A 13 -3.787 -5.894 -0.811 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -6.705 -6.735 -1.366 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -5.631 -5.966 -2.517 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -4.126 -7.913 -2.517 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -5.012 -8.657 -1.200 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -4.641 -8.674 -4.561 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -6.209 -9.394 -4.943 1.00 2.04 H new ATOM 226 N LYS A 14 -5.959 -4.781 1.182 1.00 0.57 N ATOM 227 CA LYS A 14 -6.511 -3.562 1.641 1.00 0.57 C ATOM 228 C LYS A 14 -5.438 -2.677 2.079 1.00 0.60 C ATOM 229 O LYS A 14 -5.457 -1.471 1.754 1.00 0.60 O ATOM 230 CB LYS A 14 -7.416 -3.837 2.846 1.00 0.65 C ATOM 231 CG LYS A 14 -8.699 -4.537 2.396 1.00 0.67 C ATOM 232 CD LYS A 14 -9.557 -4.873 3.618 1.00 1.04 C ATOM 233 CE LYS A 14 -10.815 -5.620 3.167 1.00 1.36 C ATOM 234 NZ LYS A 14 -11.631 -5.960 4.332 1.00 1.71 N ATOM 0 H LYS A 14 -6.019 -5.556 1.842 1.00 0.57 H new ATOM 0 HA LYS A 14 -7.079 -3.101 0.832 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -6.890 -4.458 3.571 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -7.661 -2.900 3.347 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -9.256 -3.894 1.714 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.456 -5.448 1.849 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -8.988 -5.485 4.318 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -9.833 -3.959 4.145 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -11.389 -5.002 2.477 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.538 -6.526 2.628 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -12.484 -6.467 4.022 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -11.083 -6.566 4.975 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -11.907 -5.089 4.829 1.00 1.71 H new ATOM 248 N LYS A 15 -4.439 -3.203 2.802 1.00 0.68 N ATOM 249 CA LYS A 15 -3.351 -2.457 3.311 1.00 0.73 C ATOM 250 C LYS A 15 -2.816 -1.480 2.365 1.00 0.66 C ATOM 251 O LYS A 15 -2.601 -0.308 2.739 1.00 0.70 O ATOM 252 CB LYS A 15 -2.245 -3.488 3.512 1.00 0.82 C ATOM 253 CG LYS A 15 -2.586 -4.439 4.660 1.00 0.97 C ATOM 254 CD LYS A 15 -2.124 -5.824 4.212 1.00 1.51 C ATOM 255 CE LYS A 15 -0.703 -5.710 3.663 1.00 1.07 C ATOM 256 NZ LYS A 15 -0.399 -6.912 2.891 1.00 1.94 N ATOM 0 H LYS A 15 -4.393 -4.194 3.039 1.00 0.68 H new ATOM 0 HA LYS A 15 -3.677 -1.915 4.199 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -2.102 -4.057 2.594 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -1.304 -2.981 3.722 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -2.082 -4.138 5.578 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -3.656 -4.433 4.867 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -2.151 -6.521 5.050 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -2.794 -6.218 3.448 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -0.611 -4.824 3.034 1.00 1.07 H new ATOM 0 HE3 LYS A 15 0.009 -5.596 4.480 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 0.584 -6.869 2.554 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -0.523 -7.751 3.492 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -1.042 -6.973 2.076 1.00 1.94 H new ATOM 270 N ALA A 16 -2.548 -1.840 1.102 1.00 0.58 N ATOM 271 CA ALA A 16 -1.997 -0.923 0.180 1.00 0.53 C ATOM 272 C ALA A 16 -2.900 0.199 -0.072 1.00 0.50 C ATOM 273 O ALA A 16 -2.447 1.361 -0.167 1.00 0.60 O ATOM 274 CB ALA A 16 -1.750 -1.670 -1.133 1.00 0.46 C ATOM 0 H ALA A 16 -2.716 -2.772 0.724 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.072 -0.519 0.592 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.324 -0.986 -1.866 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.057 -2.493 -0.959 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.694 -2.064 -1.510 1.00 0.46 H new ATOM 280 N LEU A 17 -4.218 -0.015 -0.194 1.00 0.44 N ATOM 281 CA LEU A 17 -5.099 1.053 -0.472 1.00 0.46 C ATOM 282 C LEU A 17 -5.479 1.733 0.765 1.00 0.57 C ATOM 283 O LEU A 17 -6.156 2.782 0.706 1.00 0.71 O ATOM 284 CB LEU A 17 -6.367 0.503 -1.124 1.00 0.42 C ATOM 285 CG LEU A 17 -6.146 0.222 -2.610 1.00 0.36 C ATOM 286 CD1 LEU A 17 -4.927 -0.677 -2.805 1.00 0.39 C ATOM 287 CD2 LEU A 17 -7.391 -0.480 -3.155 1.00 0.38 C ATOM 0 H LEU A 17 -4.666 -0.927 -0.099 1.00 0.44 H new ATOM 0 HA LEU A 17 -4.596 1.755 -1.137 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.671 -0.414 -0.619 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -7.181 1.218 -1.003 1.00 0.42 H new ATOM 0 HG LEU A 17 -5.972 1.159 -3.140 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -4.782 -0.868 -3.868 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.043 -0.184 -2.401 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.085 -1.622 -2.285 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -7.255 -0.690 -4.216 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -7.547 -1.415 -2.617 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.260 0.164 -3.021 1.00 0.38 H new ATOM 299 N ASP A 18 -5.117 1.230 1.954 1.00 0.59 N ATOM 300 CA ASP A 18 -5.444 1.895 3.152 1.00 0.70 C ATOM 301 C ASP A 18 -4.412 2.901 3.366 1.00 0.73 C ATOM 302 O ASP A 18 -4.737 4.086 3.595 1.00 0.82 O ATOM 303 CB ASP A 18 -5.486 0.903 4.317 1.00 0.76 C ATOM 304 CG ASP A 18 -6.009 1.586 5.496 1.00 0.97 C ATOM 305 OD1 ASP A 18 -5.404 2.576 5.961 1.00 1.24 O ATOM 306 OD2 ASP A 18 -7.063 1.187 6.038 1.00 1.76 O ATOM 0 H ASP A 18 -4.597 0.361 2.076 1.00 0.59 H new ATOM 0 HA ASP A 18 -6.429 2.358 3.090 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -6.116 0.050 4.064 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.488 0.514 4.518 1.00 0.76 H new ATOM 311 N LEU A 19 -3.126 2.528 3.281 1.00 0.68 N ATOM 312 CA LEU A 19 -2.075 3.462 3.394 1.00 0.70 C ATOM 313 C LEU A 19 -2.277 4.529 2.422 1.00 0.71 C ATOM 314 O LEU A 19 -2.136 5.721 2.772 1.00 0.85 O ATOM 315 CB LEU A 19 -0.768 2.788 2.972 1.00 0.60 C ATOM 316 CG LEU A 19 -0.003 2.230 4.171 1.00 0.67 C ATOM 317 CD1 LEU A 19 -0.916 1.351 5.026 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.171 1.409 3.636 1.00 0.69 C ATOM 0 H LEU A 19 -2.821 1.566 3.132 1.00 0.68 H new ATOM 0 HA LEU A 19 -2.046 3.833 4.418 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.985 1.981 2.272 1.00 0.60 H new ATOM 0 HB3 LEU A 19 -0.142 3.508 2.445 1.00 0.60 H new ATOM 0 HG LEU A 19 0.357 3.045 4.799 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.355 0.962 5.876 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -1.757 1.943 5.387 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -1.288 0.521 4.426 1.00 1.15 H new ATOM 0 HD21 LEU A 19 1.737 0.997 4.471 1.00 0.69 H new ATOM 0 HD22 LEU A 19 0.794 0.595 3.017 1.00 0.69 H new ATOM 0 HD23 LEU A 19 1.820 2.049 3.038 1.00 0.69 H new ATOM 330 N ALA A 20 -2.565 4.192 1.156 1.00 0.62 N ATOM 331 CA ALA A 20 -2.747 5.159 0.146 1.00 0.70 C ATOM 332 C ALA A 20 -3.939 5.985 0.342 1.00 0.84 C ATOM 333 O ALA A 20 -3.813 7.201 0.608 1.00 1.21 O ATOM 334 CB ALA A 20 -2.894 4.406 -1.177 1.00 0.72 C ATOM 0 H ALA A 20 -2.672 3.229 0.837 1.00 0.62 H new ATOM 0 HA ALA A 20 -1.890 5.832 0.162 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -3.037 5.120 -1.988 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -1.994 3.820 -1.364 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -3.756 3.740 -1.123 1.00 0.72 H new ATOM 340 N PHE A 21 -5.147 5.432 0.151 1.00 0.88 N ATOM 341 CA PHE A 21 -6.373 6.128 0.293 1.00 1.18 C ATOM 342 C PHE A 21 -6.329 7.519 -0.163 1.00 1.61 C ATOM 343 O PHE A 21 -6.780 8.414 0.586 1.00 2.22 O ATOM 344 CB PHE A 21 -6.879 6.072 1.733 1.00 1.29 C ATOM 345 CG PHE A 21 -8.266 6.525 1.730 1.00 1.16 C ATOM 346 CD1 PHE A 21 -9.240 5.756 1.102 1.00 1.41 C ATOM 347 CD2 PHE A 21 -8.617 7.718 2.352 1.00 1.63 C ATOM 348 CE1 PHE A 21 -10.561 6.186 1.082 1.00 1.60 C ATOM 349 CE2 PHE A 21 -9.940 8.145 2.333 1.00 1.73 C ATOM 350 CZ PHE A 21 -10.912 7.380 1.700 1.00 1.50 C ATOM 0 H PHE A 21 -5.269 4.455 -0.114 1.00 0.88 H new ATOM 0 HA PHE A 21 -7.070 5.607 -0.363 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -6.808 5.057 2.125 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -6.270 6.706 2.378 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -8.969 4.823 0.629 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -7.864 8.312 2.849 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -11.315 5.592 0.586 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -10.213 9.074 2.812 1.00 1.73 H new ATOM 0 HZ PHE A 21 -11.939 7.713 1.688 1.00 1.50 H new ATOM 360 N TYR A 22 -5.861 7.840 -1.378 1.00 1.98 N ATOM 361 CA TYR A 22 -5.829 9.186 -1.811 1.00 2.50 C ATOM 362 C TYR A 22 -5.360 9.221 -3.193 1.00 2.37 C ATOM 363 O TYR A 22 -4.714 8.257 -3.653 1.00 2.86 O ATOM 364 CB TYR A 22 -4.929 10.057 -0.928 1.00 3.05 C ATOM 365 CG TYR A 22 -5.066 11.455 -1.326 1.00 4.37 C ATOM 366 CD1 TYR A 22 -6.281 12.110 -1.163 1.00 4.86 C ATOM 367 CD2 TYR A 22 -3.988 12.121 -1.895 1.00 4.57 C ATOM 368 CE1 TYR A 22 -6.419 13.430 -1.576 1.00 5.31 C ATOM 369 CE2 TYR A 22 -4.125 13.441 -2.308 1.00 5.05 C ATOM 370 CZ TYR A 22 -5.341 14.095 -2.149 1.00 5.70 C ATOM 371 OH TYR A 22 -5.476 15.377 -2.551 1.00 5.94 O ATOM 0 H TYR A 22 -5.507 7.165 -2.055 1.00 1.98 H new ATOM 0 HA TYR A 22 -6.837 9.595 -1.738 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -5.203 9.937 0.120 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -3.890 9.740 -1.024 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -7.117 11.594 -0.716 1.00 4.86 H new ATOM 0 HD2 TYR A 22 -3.043 11.613 -2.017 1.00 4.57 H new ATOM 0 HE1 TYR A 22 -7.363 13.939 -1.452 1.00 5.31 H new ATOM 0 HE2 TYR A 22 -3.287 13.958 -2.752 1.00 5.05 H new ATOM 0 HH TYR A 22 -4.628 15.693 -2.928 1.00 5.94 H new ATOM 381 N PHE A 23 -5.650 10.271 -3.976 1.00 2.53 N ATOM 382 CA PHE A 23 -5.286 10.311 -5.339 1.00 3.15 C ATOM 383 C PHE A 23 -3.900 10.742 -5.529 1.00 3.06 C ATOM 384 O PHE A 23 -3.664 11.778 -6.188 1.00 3.59 O ATOM 385 CB PHE A 23 -6.202 11.335 -6.012 1.00 3.86 C ATOM 386 CG PHE A 23 -7.593 10.949 -5.795 1.00 4.35 C ATOM 387 CD1 PHE A 23 -8.148 11.069 -4.526 1.00 4.54 C ATOM 388 CD2 PHE A 23 -8.354 10.440 -6.841 1.00 5.12 C ATOM 389 CE1 PHE A 23 -9.464 10.685 -4.302 1.00 5.32 C ATOM 390 CE2 PHE A 23 -9.674 10.065 -6.618 1.00 5.84 C ATOM 391 CZ PHE A 23 -10.229 10.186 -5.350 1.00 6.77 C ATOM 0 H PHE A 23 -6.145 11.101 -3.650 1.00 2.53 H new ATOM 0 HA PHE A 23 -5.382 9.311 -5.762 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -6.020 12.329 -5.603 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -5.988 11.386 -7.080 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -7.555 11.461 -3.713 1.00 4.54 H new ATOM 0 HD2 PHE A 23 -7.921 10.336 -7.825 1.00 5.12 H new ATOM 0 HE1 PHE A 23 -9.892 10.774 -3.315 1.00 5.32 H new ATOM 0 HE2 PHE A 23 -10.269 9.679 -7.432 1.00 5.84 H new ATOM 0 HZ PHE A 23 -11.254 9.893 -5.179 1.00 6.77 H new ATOM 401 N ASP A 24 -2.884 10.046 -4.999 1.00 2.69 N ATOM 402 CA ASP A 24 -1.546 10.470 -5.176 1.00 2.83 C ATOM 403 C ASP A 24 -0.745 9.376 -5.718 1.00 2.45 C ATOM 404 O ASP A 24 0.018 8.752 -4.951 1.00 2.75 O ATOM 405 CB ASP A 24 -0.966 10.894 -3.826 1.00 3.31 C ATOM 406 CG ASP A 24 0.399 11.376 -4.014 1.00 3.96 C ATOM 407 OD1 ASP A 24 0.623 12.326 -4.795 1.00 4.25 O ATOM 408 OD2 ASP A 24 1.344 10.834 -3.402 1.00 4.50 O ATOM 0 H ASP A 24 -2.994 9.193 -4.451 1.00 2.69 H new ATOM 0 HA ASP A 24 -1.526 11.311 -5.870 1.00 2.83 H new ATOM 0 HB2 ASP A 24 -1.582 11.677 -3.383 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -0.974 10.052 -3.134 1.00 3.31 H new ATOM 413 N ARG A 25 -0.825 9.101 -7.031 1.00 2.47 N ATOM 414 CA ARG A 25 -0.166 8.024 -7.681 1.00 2.98 C ATOM 415 C ARG A 25 -0.921 6.793 -7.462 1.00 2.31 C ATOM 416 O ARG A 25 -0.322 5.698 -7.388 1.00 2.72 O ATOM 417 CB ARG A 25 1.271 7.787 -7.196 1.00 4.09 C ATOM 418 CG ARG A 25 2.146 9.020 -7.429 1.00 4.69 C ATOM 419 CD ARG A 25 2.476 9.139 -8.916 1.00 5.33 C ATOM 420 NE ARG A 25 3.365 10.216 -9.111 1.00 5.75 N ATOM 421 CZ ARG A 25 4.373 10.106 -9.987 1.00 6.57 C ATOM 422 NH1 ARG A 25 4.560 8.962 -10.660 1.00 7.02 N ATOM 423 NH2 ARG A 25 5.199 11.142 -10.188 1.00 7.21 N ATOM 0 H ARG A 25 -1.383 9.666 -7.671 1.00 2.47 H new ATOM 0 HA ARG A 25 -0.115 8.297 -8.735 1.00 2.98 H new ATOM 0 HB2 ARG A 25 1.263 7.539 -6.135 1.00 4.09 H new ATOM 0 HB3 ARG A 25 1.697 6.931 -7.720 1.00 4.09 H new ATOM 0 HG2 ARG A 25 1.628 9.916 -7.088 1.00 4.69 H new ATOM 0 HG3 ARG A 25 3.064 8.942 -6.847 1.00 4.69 H new ATOM 0 HD2 ARG A 25 2.924 8.213 -9.276 1.00 5.33 H new ATOM 0 HD3 ARG A 25 1.564 9.297 -9.491 1.00 5.33 H new ATOM 0 HE ARG A 25 3.241 11.081 -8.584 1.00 5.75 H new ATOM 0 HH11 ARG A 25 3.934 8.172 -10.506 1.00 7.02 H new ATOM 0 HH12 ARG A 25 5.328 8.882 -11.326 1.00 7.02 H new ATOM 0 HH21 ARG A 25 5.060 12.012 -9.675 1.00 7.21 H new ATOM 0 HH22 ARG A 25 5.967 11.060 -10.854 1.00 7.21 H new ATOM 437 N ARG A 26 -2.256 6.845 -7.358 1.00 1.76 N ATOM 438 CA ARG A 26 -3.028 5.674 -7.193 1.00 1.34 C ATOM 439 C ARG A 26 -4.440 6.028 -7.325 1.00 1.20 C ATOM 440 O ARG A 26 -4.800 7.189 -7.037 1.00 2.05 O ATOM 441 CB ARG A 26 -2.796 4.993 -5.842 1.00 2.02 C ATOM 442 CG ARG A 26 -3.121 5.958 -4.705 1.00 2.50 C ATOM 443 CD ARG A 26 -1.838 6.366 -3.979 1.00 2.91 C ATOM 444 NE ARG A 26 -2.178 7.220 -2.909 1.00 3.64 N ATOM 445 CZ ARG A 26 -1.250 7.629 -2.030 1.00 4.57 C ATOM 446 NH1 ARG A 26 0.034 7.273 -2.163 1.00 5.01 N ATOM 447 NH2 ARG A 26 -1.606 8.397 -0.993 1.00 5.37 N ATOM 0 H ARG A 26 -2.798 7.708 -7.389 1.00 1.76 H new ATOM 0 HA ARG A 26 -2.724 4.962 -7.960 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -3.420 4.103 -5.763 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -1.760 4.664 -5.765 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -3.621 6.842 -5.100 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -3.811 5.488 -4.004 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -1.317 5.484 -3.608 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -1.159 6.872 -4.666 1.00 2.91 H new ATOM 0 HE ARG A 26 -3.143 7.531 -2.802 1.00 3.64 H new ATOM 0 HH11 ARG A 26 0.321 6.681 -2.943 1.00 5.01 H new ATOM 0 HH12 ARG A 26 0.725 7.594 -1.485 1.00 5.01 H new ATOM 0 HH21 ARG A 26 -2.581 8.670 -0.872 1.00 5.37 H new ATOM 0 HH22 ARG A 26 -0.902 8.709 -0.324 1.00 5.37 H new ATOM 461 N LEU A 27 -5.320 5.120 -7.779 1.00 0.90 N ATOM 462 CA LEU A 27 -6.707 5.382 -7.919 1.00 0.73 C ATOM 463 C LEU A 27 -7.018 6.210 -9.087 1.00 0.78 C ATOM 464 O LEU A 27 -8.206 6.276 -9.469 1.00 1.03 O ATOM 465 CB LEU A 27 -7.260 6.051 -6.652 1.00 0.72 C ATOM 466 CG LEU A 27 -8.792 5.999 -6.600 1.00 0.80 C ATOM 467 CD1 LEU A 27 -9.404 6.781 -7.762 1.00 1.23 C ATOM 468 CD2 LEU A 27 -9.275 4.551 -6.661 1.00 0.86 C ATOM 0 H LEU A 27 -5.053 4.175 -8.056 1.00 0.90 H new ATOM 0 HA LEU A 27 -7.187 4.415 -8.069 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -6.850 5.556 -5.772 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -6.931 7.089 -6.616 1.00 0.72 H new ATOM 0 HG LEU A 27 -9.110 6.452 -5.661 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -10.491 6.729 -7.703 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -9.087 7.822 -7.707 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -9.071 6.350 -8.706 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -10.364 4.529 -6.623 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -8.935 4.093 -7.590 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -8.871 3.997 -5.814 1.00 0.86 H new ATOM 480 N THR A 28 -6.085 6.883 -9.775 1.00 0.82 N ATOM 481 CA THR A 28 -6.478 7.652 -10.890 1.00 0.94 C ATOM 482 C THR A 28 -6.283 6.819 -12.070 1.00 0.88 C ATOM 483 O THR A 28 -5.625 5.768 -11.935 1.00 0.81 O ATOM 484 CB THR A 28 -5.615 8.911 -10.972 1.00 1.13 C ATOM 485 OG1 THR A 28 -4.276 8.530 -11.245 1.00 1.31 O ATOM 486 CG2 THR A 28 -5.673 9.653 -9.636 1.00 1.26 C ATOM 0 H THR A 28 -5.088 6.892 -9.562 1.00 0.82 H new ATOM 0 HA THR A 28 -7.519 7.964 -10.813 1.00 0.94 H new ATOM 0 HB THR A 28 -5.983 9.565 -11.763 1.00 1.13 H new ATOM 0 HG1 THR A 28 -3.713 9.330 -11.301 1.00 1.31 H new ATOM 0 HG21 THR A 28 -5.058 10.551 -9.692 1.00 1.26 H new ATOM 0 HG22 THR A 28 -6.704 9.932 -9.419 1.00 1.26 H new ATOM 0 HG23 THR A 28 -5.298 9.005 -8.844 1.00 1.26 H new ATOM 494 N PRO A 29 -6.823 7.127 -13.259 1.00 0.93 N ATOM 495 CA PRO A 29 -6.681 6.305 -14.403 1.00 0.90 C ATOM 496 C PRO A 29 -5.337 5.898 -14.681 1.00 0.83 C ATOM 497 O PRO A 29 -5.113 4.735 -14.975 1.00 0.82 O ATOM 498 CB PRO A 29 -7.213 7.189 -15.532 1.00 1.01 C ATOM 499 CG PRO A 29 -8.259 8.045 -14.823 1.00 1.11 C ATOM 500 CD PRO A 29 -7.632 8.287 -13.450 1.00 1.07 C ATOM 0 HA PRO A 29 -7.210 5.362 -14.269 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -6.425 7.797 -15.976 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -7.651 6.598 -16.337 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -8.443 8.979 -15.353 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -9.216 7.530 -14.744 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -7.038 9.201 -13.433 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -8.389 8.384 -12.672 1.00 1.07 H new ATOM 508 N GLU A 30 -4.350 6.758 -14.617 1.00 0.83 N ATOM 509 CA GLU A 30 -3.034 6.360 -14.937 1.00 0.81 C ATOM 510 C GLU A 30 -2.510 5.381 -13.986 1.00 0.79 C ATOM 511 O GLU A 30 -1.740 4.486 -14.399 1.00 0.85 O ATOM 512 CB GLU A 30 -2.118 7.584 -14.983 1.00 0.89 C ATOM 513 CG GLU A 30 -0.765 7.165 -15.563 1.00 1.46 C ATOM 514 CD GLU A 30 0.079 8.340 -15.760 1.00 2.09 C ATOM 515 OE1 GLU A 30 -0.323 9.284 -16.473 1.00 2.62 O ATOM 516 OE2 GLU A 30 1.211 8.394 -15.234 1.00 2.72 O ATOM 0 H GLU A 30 -4.450 7.736 -14.344 1.00 0.83 H new ATOM 0 HA GLU A 30 -3.063 5.883 -15.917 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -2.565 8.367 -15.595 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -1.988 7.996 -13.982 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -0.273 6.463 -14.890 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -0.911 6.649 -16.512 1.00 1.46 H new ATOM 523 N TRP A 31 -2.823 5.427 -12.683 1.00 0.78 N ATOM 524 CA TRP A 31 -2.269 4.463 -11.813 1.00 0.79 C ATOM 525 C TRP A 31 -3.296 3.577 -11.270 1.00 0.70 C ATOM 526 O TRP A 31 -3.011 2.826 -10.314 1.00 0.71 O ATOM 527 CB TRP A 31 -1.541 5.166 -10.667 1.00 0.93 C ATOM 528 CG TRP A 31 -0.364 5.848 -11.195 1.00 1.38 C ATOM 529 CD1 TRP A 31 0.856 5.267 -11.529 1.00 2.29 C ATOM 530 CD2 TRP A 31 -0.219 7.205 -11.433 1.00 1.67 C ATOM 531 NE1 TRP A 31 1.694 6.227 -11.962 1.00 2.57 N ATOM 532 CE2 TRP A 31 1.058 7.407 -11.910 1.00 2.12 C ATOM 533 CE3 TRP A 31 -1.110 8.252 -11.261 1.00 2.37 C ATOM 534 CZ2 TRP A 31 1.505 8.674 -12.249 1.00 2.59 C ATOM 535 CZ3 TRP A 31 -0.673 9.530 -11.600 1.00 3.11 C ATOM 536 CH2 TRP A 31 0.618 9.738 -12.090 1.00 3.01 C ATOM 0 H TRP A 31 -3.441 6.112 -12.248 1.00 0.78 H new ATOM 0 HA TRP A 31 -1.568 3.856 -12.385 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -2.205 5.882 -10.183 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -1.247 4.441 -9.908 1.00 0.93 H new ATOM 0 HD1 TRP A 31 1.092 4.216 -11.453 1.00 2.29 H new ATOM 0 HE1 TRP A 31 2.653 6.082 -12.277 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -2.106 8.083 -10.878 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 2.506 8.832 -12.623 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 -1.341 10.371 -11.483 1.00 3.11 H new ATOM 0 HH2 TRP A 31 0.934 10.738 -12.350 1.00 3.01 H new ATOM 547 N ARG A 32 -4.526 3.519 -11.796 1.00 0.69 N ATOM 548 CA ARG A 32 -5.448 2.588 -11.275 1.00 0.62 C ATOM 549 C ARG A 32 -5.047 1.263 -11.744 1.00 0.61 C ATOM 550 O ARG A 32 -5.036 0.285 -10.965 1.00 0.60 O ATOM 551 CB ARG A 32 -6.867 2.936 -11.728 1.00 0.66 C ATOM 552 CG ARG A 32 -7.869 2.194 -10.843 1.00 0.89 C ATOM 553 CD ARG A 32 -9.274 2.724 -11.132 1.00 0.80 C ATOM 554 NE ARG A 32 -9.285 4.127 -10.976 1.00 0.83 N ATOM 555 CZ ARG A 32 -9.838 4.904 -11.916 1.00 0.85 C ATOM 556 NH1 ARG A 32 -10.399 4.359 -13.004 1.00 0.82 N ATOM 557 NH2 ARG A 32 -9.825 6.233 -11.754 1.00 0.97 N ATOM 0 H ARG A 32 -4.869 4.101 -12.560 1.00 0.69 H new ATOM 0 HA ARG A 32 -5.449 2.609 -10.185 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.030 4.012 -11.661 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -7.008 2.657 -12.772 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -7.823 1.123 -11.038 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -7.621 2.337 -9.791 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.575 2.457 -12.145 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -9.994 2.266 -10.455 1.00 0.80 H new ATOM 0 HE ARG A 32 -8.871 4.550 -10.145 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -10.407 3.346 -13.120 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -10.818 4.957 -13.716 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -9.398 6.641 -10.923 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -10.242 6.837 -12.462 1.00 0.97 H new ATOM 571 N ARG A 33 -4.664 1.112 -13.022 1.00 0.66 N ATOM 572 CA ARG A 33 -4.204 -0.139 -13.484 1.00 0.69 C ATOM 573 C ARG A 33 -2.899 -0.448 -12.901 1.00 0.72 C ATOM 574 O ARG A 33 -2.507 -1.634 -12.859 1.00 0.73 O ATOM 575 CB ARG A 33 -4.097 -0.131 -15.009 1.00 0.80 C ATOM 576 CG ARG A 33 -3.046 0.891 -15.451 1.00 1.16 C ATOM 577 CD ARG A 33 -2.952 0.888 -16.978 1.00 1.14 C ATOM 578 NE ARG A 33 -4.193 1.269 -17.528 1.00 1.66 N ATOM 579 CZ ARG A 33 -4.380 1.217 -18.853 1.00 2.23 C ATOM 580 NH1 ARG A 33 -3.392 0.794 -19.653 1.00 2.26 N ATOM 581 NH2 ARG A 33 -5.556 1.586 -19.379 1.00 3.10 N ATOM 0 H ARG A 33 -4.676 1.853 -13.722 1.00 0.66 H new ATOM 0 HA ARG A 33 -4.919 -0.904 -13.179 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -3.826 -1.124 -15.369 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -5.064 0.114 -15.449 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -3.315 1.885 -15.093 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -2.078 0.646 -15.015 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -2.171 1.574 -17.306 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -2.674 -0.104 -17.334 1.00 1.14 H new ATOM 0 HE ARG A 33 -4.947 1.584 -16.918 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -2.497 0.512 -19.253 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -3.535 0.754 -20.662 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -6.309 1.907 -18.770 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -5.698 1.546 -20.388 1.00 3.10 H new ATOM 595 N TYR A 34 -2.133 0.540 -12.413 1.00 0.74 N ATOM 596 CA TYR A 34 -0.905 0.280 -11.771 1.00 0.77 C ATOM 597 C TYR A 34 -1.188 -0.471 -10.552 1.00 0.65 C ATOM 598 O TYR A 34 -0.513 -1.487 -10.281 1.00 0.68 O ATOM 599 CB TYR A 34 -0.223 1.615 -11.459 1.00 0.84 C ATOM 600 CG TYR A 34 0.965 1.432 -10.632 1.00 0.87 C ATOM 601 CD1 TYR A 34 2.079 0.750 -11.108 1.00 1.24 C ATOM 602 CD2 TYR A 34 0.965 1.954 -9.344 1.00 1.37 C ATOM 603 CE1 TYR A 34 3.193 0.592 -10.290 1.00 1.18 C ATOM 604 CE2 TYR A 34 2.076 1.795 -8.527 1.00 1.65 C ATOM 605 CZ TYR A 34 3.188 1.111 -9.000 1.00 1.19 C ATOM 606 OH TYR A 34 4.260 0.955 -8.196 1.00 1.43 O ATOM 0 H TYR A 34 -2.377 1.529 -12.469 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.236 -0.305 -12.402 1.00 0.77 H new ATOM 0 HB2 TYR A 34 0.054 2.109 -12.390 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -0.926 2.272 -10.947 1.00 0.84 H new ATOM 0 HD1 TYR A 34 2.080 0.344 -12.109 1.00 1.24 H new ATOM 0 HD2 TYR A 34 0.099 2.485 -8.978 1.00 1.37 H new ATOM 0 HE1 TYR A 34 4.062 0.066 -10.657 1.00 1.18 H new ATOM 0 HE2 TYR A 34 2.075 2.202 -7.527 1.00 1.65 H new ATOM 0 HH TYR A 34 5.053 0.768 -8.741 1.00 1.43 H new ATOM 616 N LEU A 35 -2.190 -0.087 -9.747 1.00 0.56 N ATOM 617 CA LEU A 35 -2.513 -0.845 -8.602 1.00 0.49 C ATOM 618 C LEU A 35 -2.971 -2.180 -8.981 1.00 0.45 C ATOM 619 O LEU A 35 -2.497 -3.184 -8.407 1.00 0.46 O ATOM 620 CB LEU A 35 -3.667 -0.171 -7.858 1.00 0.58 C ATOM 621 CG LEU A 35 -3.115 0.738 -6.761 1.00 0.66 C ATOM 622 CD1 LEU A 35 -2.145 1.751 -7.369 1.00 1.03 C ATOM 623 CD2 LEU A 35 -4.268 1.466 -6.067 1.00 1.32 C ATOM 0 H LEU A 35 -2.767 0.741 -9.894 1.00 0.56 H new ATOM 0 HA LEU A 35 -1.621 -0.914 -7.980 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -4.271 0.410 -8.555 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -4.321 -0.926 -7.422 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.582 0.135 -6.026 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -1.754 2.397 -6.583 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -1.321 1.223 -7.848 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -2.668 2.356 -8.110 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -3.871 2.114 -5.285 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -4.810 2.068 -6.796 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -4.945 0.736 -5.624 1.00 1.32 H new ATOM 635 N SER A 36 -3.880 -2.345 -9.953 1.00 0.47 N ATOM 636 CA SER A 36 -4.346 -3.641 -10.266 1.00 0.48 C ATOM 637 C SER A 36 -3.328 -4.469 -10.912 1.00 0.59 C ATOM 638 O SER A 36 -3.573 -5.681 -11.100 1.00 0.66 O ATOM 639 CB SER A 36 -5.551 -3.549 -11.202 1.00 0.52 C ATOM 640 OG SER A 36 -5.159 -3.040 -12.464 1.00 1.35 O ATOM 0 H SER A 36 -4.282 -1.591 -10.510 1.00 0.47 H new ATOM 0 HA SER A 36 -4.616 -4.109 -9.319 1.00 0.48 H new ATOM 0 HB2 SER A 36 -6.001 -4.534 -11.324 1.00 0.52 H new ATOM 0 HB3 SER A 36 -6.312 -2.904 -10.763 1.00 0.52 H new ATOM 0 HG SER A 36 -4.269 -2.636 -12.392 1.00 1.35 H new ATOM 646 N GLN A 37 -2.162 -3.953 -11.328 1.00 0.67 N ATOM 647 CA GLN A 37 -1.191 -4.768 -11.948 1.00 0.80 C ATOM 648 C GLN A 37 -0.637 -5.727 -10.996 1.00 0.75 C ATOM 649 O GLN A 37 -0.499 -6.926 -11.323 1.00 0.86 O ATOM 650 CB GLN A 37 -0.054 -3.879 -12.454 1.00 0.92 C ATOM 651 CG GLN A 37 1.003 -4.745 -13.141 1.00 1.09 C ATOM 652 CD GLN A 37 2.079 -3.894 -13.639 1.00 2.00 C ATOM 653 OE1 GLN A 37 1.843 -3.039 -14.520 1.00 2.72 O ATOM 654 NE2 GLN A 37 3.323 -4.037 -13.162 1.00 2.66 N ATOM 0 H GLN A 37 -1.899 -2.972 -11.232 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.660 -5.310 -12.769 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -0.441 -3.137 -13.152 1.00 0.92 H new ATOM 0 HB3 GLN A 37 0.392 -3.333 -11.623 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.400 -5.479 -12.439 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.554 -5.301 -13.964 1.00 1.09 H new ATOM 0 HE21 GLN A 37 3.517 -4.734 -12.443 1.00 2.66 H new ATOM 0 HE22 GLN A 37 4.076 -3.449 -13.518 1.00 2.66 H new ATOM 663 N ARG A 38 -0.259 -5.317 -9.777 1.00 0.65 N ATOM 664 CA ARG A 38 0.323 -6.237 -8.881 1.00 0.68 C ATOM 665 C ARG A 38 -0.501 -6.425 -7.690 1.00 0.59 C ATOM 666 O ARG A 38 -0.092 -7.196 -6.794 1.00 0.65 O ATOM 667 CB ARG A 38 1.694 -5.709 -8.457 1.00 0.74 C ATOM 668 CG ARG A 38 2.616 -5.635 -9.676 1.00 1.20 C ATOM 669 CD ARG A 38 3.996 -5.134 -9.247 1.00 1.55 C ATOM 670 NE ARG A 38 3.875 -3.841 -8.700 1.00 1.76 N ATOM 671 CZ ARG A 38 4.943 -3.226 -8.172 1.00 2.41 C ATOM 672 NH1 ARG A 38 6.134 -3.840 -8.142 1.00 2.88 N ATOM 673 NH2 ARG A 38 4.819 -1.989 -7.672 1.00 3.06 N ATOM 0 H ARG A 38 -0.357 -4.365 -9.424 1.00 0.65 H new ATOM 0 HA ARG A 38 0.412 -7.198 -9.387 1.00 0.68 H new ATOM 0 HB2 ARG A 38 1.591 -4.722 -8.006 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.128 -6.362 -7.700 1.00 0.74 H new ATOM 0 HG2 ARG A 38 2.703 -6.618 -10.139 1.00 1.20 H new ATOM 0 HG3 ARG A 38 2.192 -4.966 -10.425 1.00 1.20 H new ATOM 0 HD2 ARG A 38 4.429 -5.813 -8.512 1.00 1.55 H new ATOM 0 HD3 ARG A 38 4.671 -5.117 -10.103 1.00 1.55 H new ATOM 0 HE ARG A 38 2.970 -3.370 -8.706 1.00 1.76 H new ATOM 0 HH11 ARG A 38 6.232 -4.781 -8.522 1.00 2.88 H new ATOM 0 HH12 ARG A 38 6.942 -3.366 -7.739 1.00 2.88 H new ATOM 0 HH21 ARG A 38 3.914 -1.518 -7.694 1.00 3.06 H new ATOM 0 HH22 ARG A 38 5.629 -1.518 -7.270 1.00 3.06 H new ATOM 687 N LEU A 39 -1.671 -5.790 -7.531 1.00 0.55 N ATOM 688 CA LEU A 39 -2.416 -5.996 -6.349 1.00 0.47 C ATOM 689 C LEU A 39 -3.175 -7.243 -6.447 1.00 0.51 C ATOM 690 O LEU A 39 -3.129 -8.070 -5.510 1.00 0.53 O ATOM 691 CB LEU A 39 -3.342 -4.802 -6.119 1.00 0.36 C ATOM 692 CG LEU A 39 -4.006 -4.928 -4.749 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.923 -4.960 -3.670 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.891 -3.705 -4.517 1.00 0.24 C ATOM 0 H LEU A 39 -2.088 -5.150 -8.207 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.741 -6.081 -5.497 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.775 -3.873 -6.176 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -4.101 -4.761 -6.900 1.00 0.36 H new ATOM 0 HG LEU A 39 -4.602 -5.840 -4.707 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -3.389 -5.050 -2.689 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -2.266 -5.813 -3.839 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -2.340 -4.040 -3.712 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -5.371 -3.783 -3.542 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -4.280 -2.803 -4.550 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -5.654 -3.655 -5.294 1.00 0.24 H new ATOM 706 N GLY A 40 -3.890 -7.523 -7.547 1.00 0.56 N ATOM 707 CA GLY A 40 -4.553 -8.766 -7.663 1.00 0.64 C ATOM 708 C GLY A 40 -5.972 -8.608 -7.979 1.00 0.60 C ATOM 709 O GLY A 40 -6.645 -9.621 -8.264 1.00 0.69 O ATOM 0 H GLY A 40 -4.004 -6.894 -8.342 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -4.073 -9.360 -8.441 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -4.450 -9.319 -6.730 1.00 0.64 H new ATOM 713 N LEU A 41 -6.561 -7.405 -7.980 1.00 0.54 N ATOM 714 CA LEU A 41 -7.921 -7.281 -8.344 1.00 0.54 C ATOM 715 C LEU A 41 -8.029 -6.289 -9.409 1.00 0.50 C ATOM 716 O LEU A 41 -6.999 -5.683 -9.769 1.00 0.59 O ATOM 717 CB LEU A 41 -8.814 -6.906 -7.159 1.00 0.56 C ATOM 718 CG LEU A 41 -8.220 -5.757 -6.347 1.00 0.59 C ATOM 719 CD1 LEU A 41 -7.200 -6.325 -5.364 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.516 -4.770 -7.275 1.00 1.25 C ATOM 0 H LEU A 41 -6.098 -6.531 -7.731 1.00 0.54 H new ATOM 0 HA LEU A 41 -8.274 -8.251 -8.694 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.802 -6.622 -7.523 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.949 -7.775 -6.515 1.00 0.56 H new ATOM 0 HG LEU A 41 -9.018 -5.242 -5.813 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -6.769 -5.514 -4.778 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -7.692 -7.032 -4.697 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -6.409 -6.835 -5.914 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -7.096 -3.954 -6.687 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.716 -5.281 -7.810 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -8.233 -4.369 -7.991 1.00 1.25 H new ATOM 732 N ASN A 42 -9.197 -6.073 -10.035 1.00 0.51 N ATOM 733 CA ASN A 42 -9.275 -5.181 -11.129 1.00 0.53 C ATOM 734 C ASN A 42 -9.388 -3.782 -10.723 1.00 0.43 C ATOM 735 O ASN A 42 -9.579 -3.476 -9.528 1.00 0.38 O ATOM 736 CB ASN A 42 -10.500 -5.525 -11.978 1.00 0.66 C ATOM 737 CG ASN A 42 -10.387 -6.888 -12.487 1.00 0.81 C ATOM 738 OD1 ASN A 42 -10.420 -7.858 -11.699 1.00 1.11 O ATOM 739 ND2 ASN A 42 -10.273 -7.101 -13.806 1.00 1.45 N ATOM 0 H ASN A 42 -10.079 -6.517 -9.780 1.00 0.51 H new ATOM 0 HA ASN A 42 -8.347 -5.296 -11.689 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.406 -5.425 -11.381 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -10.586 -4.824 -12.808 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -10.213 -8.054 -14.165 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -10.246 -6.310 -14.450 1.00 1.45 H new ATOM 746 N GLU A 43 -9.289 -2.838 -11.673 1.00 0.47 N ATOM 747 CA GLU A 43 -9.369 -1.454 -11.393 1.00 0.45 C ATOM 748 C GLU A 43 -10.585 -1.126 -10.652 1.00 0.40 C ATOM 749 O GLU A 43 -10.535 -0.345 -9.676 1.00 0.38 O ATOM 750 CB GLU A 43 -9.419 -0.681 -12.714 1.00 0.57 C ATOM 751 CG GLU A 43 -8.074 -0.720 -13.445 1.00 0.68 C ATOM 752 CD GLU A 43 -7.914 -1.976 -14.170 1.00 0.88 C ATOM 753 OE1 GLU A 43 -7.870 -3.059 -13.549 1.00 1.31 O ATOM 754 OE2 GLU A 43 -7.813 -1.968 -15.415 1.00 1.78 O ATOM 0 H GLU A 43 -9.150 -3.051 -12.661 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.497 -1.185 -10.796 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.193 -1.104 -13.354 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -9.697 0.355 -12.519 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -8.008 0.117 -14.140 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -7.262 -0.603 -12.728 1.00 0.68 H new ATOM 761 N GLU A 44 -11.766 -1.638 -11.022 1.00 0.46 N ATOM 762 CA GLU A 44 -12.937 -1.291 -10.318 1.00 0.46 C ATOM 763 C GLU A 44 -12.902 -1.748 -8.927 1.00 0.40 C ATOM 764 O GLU A 44 -13.650 -1.199 -8.091 1.00 0.43 O ATOM 765 CB GLU A 44 -14.140 -1.913 -11.030 1.00 0.60 C ATOM 766 CG GLU A 44 -14.022 -3.438 -10.993 1.00 1.05 C ATOM 767 CD GLU A 44 -15.141 -4.029 -11.722 1.00 1.48 C ATOM 768 OE1 GLU A 44 -15.307 -3.766 -12.933 1.00 1.78 O ATOM 769 OE2 GLU A 44 -15.935 -4.796 -11.135 1.00 2.31 O ATOM 0 H GLU A 44 -11.902 -2.284 -11.800 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.014 -0.204 -10.301 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -15.065 -1.597 -10.547 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -14.185 -1.566 -12.062 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -13.078 -3.752 -11.438 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -14.020 -3.789 -9.961 1.00 1.05 H new ATOM 776 N GLN A 45 -12.070 -2.715 -8.512 1.00 0.40 N ATOM 777 CA GLN A 45 -12.076 -3.113 -7.158 1.00 0.41 C ATOM 778 C GLN A 45 -11.257 -2.191 -6.374 1.00 0.34 C ATOM 779 O GLN A 45 -11.258 -2.259 -5.125 1.00 0.41 O ATOM 780 CB GLN A 45 -11.520 -4.532 -7.043 1.00 0.51 C ATOM 781 CG GLN A 45 -12.408 -5.499 -7.831 1.00 0.60 C ATOM 782 CD GLN A 45 -13.749 -5.525 -7.255 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.731 -5.159 -7.937 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.930 -5.945 -5.996 1.00 0.97 N ATOM 0 H GLN A 45 -11.406 -3.209 -9.108 1.00 0.40 H new ATOM 0 HA GLN A 45 -13.097 -3.096 -6.776 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.500 -4.566 -7.426 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -11.478 -4.833 -5.996 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -12.458 -5.192 -8.876 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.976 -6.500 -7.813 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -13.130 -6.244 -5.438 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.868 -5.966 -5.595 1.00 0.97 H new ATOM 793 N ILE A 46 -10.515 -1.268 -7.002 1.00 0.28 N ATOM 794 CA ILE A 46 -9.763 -0.322 -6.281 1.00 0.30 C ATOM 795 C ILE A 46 -10.718 0.687 -5.834 1.00 0.39 C ATOM 796 O ILE A 46 -10.746 1.067 -4.644 1.00 0.52 O ATOM 797 CB ILE A 46 -8.765 0.360 -7.222 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.839 -0.664 -7.884 1.00 0.36 C ATOM 799 CG2 ILE A 46 -7.911 1.337 -6.414 1.00 0.45 C ATOM 800 CD1 ILE A 46 -7.000 -1.363 -6.817 1.00 0.38 C ATOM 0 H ILE A 46 -10.442 -1.185 -8.016 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.223 -0.788 -5.457 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.325 0.880 -7.999 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.427 -1.397 -8.436 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.189 -0.168 -8.605 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.197 1.828 -7.075 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -8.554 2.087 -5.953 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.373 0.794 -5.637 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.342 -2.091 -7.291 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.401 -0.625 -6.284 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.658 -1.873 -6.113 1.00 0.38 H new ATOM 812 N GLU A 47 -11.587 1.170 -6.735 1.00 0.38 N ATOM 813 CA GLU A 47 -12.543 2.146 -6.383 1.00 0.47 C ATOM 814 C GLU A 47 -13.500 1.625 -5.406 1.00 0.51 C ATOM 815 O GLU A 47 -14.124 2.430 -4.682 1.00 0.61 O ATOM 816 CB GLU A 47 -13.310 2.566 -7.637 1.00 0.50 C ATOM 817 CG GLU A 47 -12.363 3.268 -8.611 1.00 0.52 C ATOM 818 CD GLU A 47 -13.104 3.653 -9.809 1.00 0.56 C ATOM 819 OE1 GLU A 47 -14.093 4.411 -9.713 1.00 1.21 O ATOM 820 OE2 GLU A 47 -12.755 3.220 -10.929 1.00 1.11 O ATOM 0 H GLU A 47 -11.620 0.877 -7.711 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.019 2.994 -5.942 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -13.754 1.692 -8.113 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.129 3.233 -7.367 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -11.926 4.149 -8.141 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -11.539 2.606 -8.876 1.00 0.52 H new ATOM 827 N ARG A 48 -13.724 0.310 -5.267 1.00 0.47 N ATOM 828 CA ARG A 48 -14.639 -0.136 -4.290 1.00 0.55 C ATOM 829 C ARG A 48 -14.040 -0.082 -2.962 1.00 0.60 C ATOM 830 O ARG A 48 -14.742 0.338 -2.019 1.00 0.68 O ATOM 831 CB ARG A 48 -15.097 -1.570 -4.566 1.00 0.56 C ATOM 832 CG ARG A 48 -16.459 -1.542 -5.265 1.00 0.63 C ATOM 833 CD ARG A 48 -16.341 -0.904 -6.648 1.00 0.60 C ATOM 834 NE ARG A 48 -17.598 -0.913 -7.284 1.00 0.71 N ATOM 835 CZ ARG A 48 -17.716 -0.435 -8.530 1.00 0.80 C ATOM 836 NH1 ARG A 48 -16.639 0.052 -9.162 1.00 0.80 N ATOM 837 NH2 ARG A 48 -18.908 -0.440 -9.142 1.00 0.94 N ATOM 0 H ARG A 48 -13.280 -0.423 -5.820 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.503 0.527 -4.333 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.366 -2.083 -5.190 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -15.166 -2.128 -3.632 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.847 -2.556 -5.359 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.173 -0.983 -4.660 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -15.976 0.119 -6.557 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.614 -1.449 -7.250 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.415 -1.282 -6.798 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -15.733 0.058 -8.694 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -16.726 0.417 -10.111 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -19.728 -0.808 -8.659 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -18.996 -0.076 -10.091 1.00 0.94 H new ATOM 851 N TRP A 49 -12.769 -0.440 -2.726 1.00 0.56 N ATOM 852 CA TRP A 49 -12.270 -0.330 -1.409 1.00 0.64 C ATOM 853 C TRP A 49 -12.270 1.071 -0.989 1.00 0.69 C ATOM 854 O TRP A 49 -12.581 1.359 0.186 1.00 0.81 O ATOM 855 CB TRP A 49 -10.865 -0.918 -1.297 1.00 0.75 C ATOM 856 CG TRP A 49 -10.464 -0.842 0.105 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.341 -0.215 0.636 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.167 -1.346 1.186 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.349 -0.364 1.973 1.00 1.29 N ATOM 860 CE2 TRP A 49 -10.452 -1.040 2.324 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.375 -2.022 1.240 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -10.910 -1.410 3.579 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -12.847 -2.396 2.496 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.122 -2.095 3.651 1.00 3.63 C ATOM 0 H TRP A 49 -12.113 -0.792 -3.423 1.00 0.56 H new ATOM 0 HA TRP A 49 -12.924 -0.901 -0.750 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -10.854 -1.952 -1.643 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.167 -0.364 -1.925 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.586 0.307 0.067 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -8.634 -0.020 2.614 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -12.930 -2.250 0.342 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -10.347 -1.176 4.470 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -13.785 -2.925 2.578 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -12.506 -2.397 4.614 1.00 3.63 H new ATOM 875 N PHE A 50 -11.954 2.039 -1.862 1.00 0.65 N ATOM 876 CA PHE A 50 -12.018 3.404 -1.499 1.00 0.72 C ATOM 877 C PHE A 50 -13.387 3.769 -1.138 1.00 0.78 C ATOM 878 O PHE A 50 -13.606 4.488 -0.138 1.00 0.89 O ATOM 879 CB PHE A 50 -11.618 4.242 -2.716 1.00 0.72 C ATOM 880 CG PHE A 50 -10.167 4.373 -2.803 1.00 0.86 C ATOM 881 CD1 PHE A 50 -9.357 3.253 -2.939 1.00 1.66 C ATOM 882 CD2 PHE A 50 -9.594 5.637 -2.728 1.00 1.33 C ATOM 883 CE1 PHE A 50 -7.978 3.401 -3.030 1.00 2.06 C ATOM 884 CE2 PHE A 50 -8.216 5.785 -2.825 1.00 1.54 C ATOM 885 CZ PHE A 50 -7.406 4.667 -2.978 1.00 1.68 C ATOM 0 H PHE A 50 -11.654 1.869 -2.822 1.00 0.65 H new ATOM 0 HA PHE A 50 -11.355 3.581 -0.652 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -12.000 3.777 -3.625 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -12.073 5.230 -2.648 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -9.798 2.268 -2.974 1.00 1.66 H new ATOM 0 HD2 PHE A 50 -10.221 6.506 -2.594 1.00 1.33 H new ATOM 0 HE1 PHE A 50 -7.349 2.530 -3.141 1.00 2.06 H new ATOM 0 HE2 PHE A 50 -7.774 6.770 -2.781 1.00 1.54 H new ATOM 0 HZ PHE A 50 -6.335 4.781 -3.056 1.00 1.68 H new ATOM 895 N ARG A 51 -14.410 3.333 -1.887 1.00 0.74 N ATOM 896 CA ARG A 51 -15.739 3.685 -1.576 1.00 0.81 C ATOM 897 C ARG A 51 -16.149 3.127 -0.288 1.00 0.87 C ATOM 898 O ARG A 51 -16.931 3.779 0.439 1.00 0.99 O ATOM 899 CB ARG A 51 -16.663 3.139 -2.666 1.00 0.79 C ATOM 900 CG ARG A 51 -18.092 3.607 -2.388 1.00 0.78 C ATOM 901 CD ARG A 51 -18.126 5.136 -2.445 1.00 1.14 C ATOM 902 NE ARG A 51 -19.441 5.594 -2.229 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.680 6.909 -2.132 1.00 1.92 C ATOM 904 NH1 ARG A 51 -18.671 7.784 -2.236 1.00 2.21 N ATOM 905 NH2 ARG A 51 -20.930 7.350 -1.932 1.00 2.45 N ATOM 0 H ARG A 51 -14.308 2.736 -2.708 1.00 0.74 H new ATOM 0 HA ARG A 51 -15.803 4.772 -1.518 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -16.337 3.488 -3.646 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -16.620 2.050 -2.685 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -18.778 3.186 -3.123 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -18.421 3.258 -1.409 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -17.458 5.552 -1.691 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -17.766 5.481 -3.414 1.00 1.14 H new ATOM 0 HE ARG A 51 -20.208 4.927 -2.147 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -17.720 7.450 -2.389 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -18.854 8.785 -2.162 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -21.699 6.685 -1.854 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -21.112 8.351 -1.858 1.00 2.45 H new ATOM 919 N ARG A 52 -15.697 1.935 0.132 1.00 0.83 N ATOM 920 CA ARG A 52 -16.143 1.420 1.369 1.00 0.98 C ATOM 921 C ARG A 52 -15.457 2.118 2.454 1.00 1.11 C ATOM 922 O ARG A 52 -16.046 2.312 3.538 1.00 1.27 O ATOM 923 CB ARG A 52 -15.751 -0.055 1.493 1.00 1.02 C ATOM 924 CG ARG A 52 -16.421 -0.934 0.432 1.00 1.24 C ATOM 925 CD ARG A 52 -17.939 -0.990 0.609 1.00 1.32 C ATOM 926 NE ARG A 52 -18.536 0.092 -0.068 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.864 0.264 -0.010 1.00 2.26 C ATOM 928 NH1 ARG A 52 -20.617 -0.576 0.714 1.00 2.17 N ATOM 929 NH2 ARG A 52 -20.442 1.268 -0.682 1.00 3.08 N ATOM 0 H ARG A 52 -15.038 1.345 -0.377 1.00 0.83 H new ATOM 0 HA ARG A 52 -17.224 1.546 1.423 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -14.668 -0.148 1.406 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -16.023 -0.417 2.484 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.186 -0.548 -0.560 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.012 -1.943 0.486 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.326 -1.932 0.221 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -18.193 -0.953 1.668 1.00 1.32 H new ATOM 0 HE ARG A 52 -17.959 0.743 -0.601 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -20.179 -1.346 1.220 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -21.628 -0.446 0.758 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.871 1.904 -1.239 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -21.453 1.397 -0.636 1.00 3.08 H new ATOM 943 N LYS A 53 -14.212 2.582 2.275 1.00 1.08 N ATOM 944 CA LYS A 53 -13.539 3.274 3.305 1.00 1.25 C ATOM 945 C LYS A 53 -14.233 4.509 3.653 1.00 1.35 C ATOM 946 O LYS A 53 -14.203 4.922 4.833 1.00 1.57 O ATOM 947 CB LYS A 53 -12.152 3.658 2.785 1.00 1.20 C ATOM 948 CG LYS A 53 -11.230 2.440 2.769 1.00 1.31 C ATOM 949 CD LYS A 53 -10.631 2.262 4.165 1.00 1.89 C ATOM 950 CE LYS A 53 -9.629 3.392 4.408 1.00 2.23 C ATOM 951 NZ LYS A 53 -9.090 3.296 5.763 1.00 2.62 N ATOM 0 H LYS A 53 -13.677 2.474 1.413 1.00 1.08 H new ATOM 0 HA LYS A 53 -13.490 2.631 4.184 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -12.236 4.071 1.780 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -11.724 4.437 3.415 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -11.786 1.548 2.480 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -10.438 2.575 2.032 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -11.417 2.283 4.920 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -10.137 1.294 4.245 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -8.819 3.335 3.680 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -10.115 4.357 4.268 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -8.846 4.246 6.108 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -9.802 2.872 6.391 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -8.237 2.701 5.756 1.00 2.62 H new ATOM 965 N GLU A 54 -14.894 5.208 2.721 1.00 1.24 N ATOM 966 CA GLU A 54 -15.503 6.428 3.076 1.00 1.34 C ATOM 967 C GLU A 54 -16.931 6.310 3.383 1.00 1.32 C ATOM 968 O GLU A 54 -17.341 6.695 4.499 1.00 1.39 O ATOM 969 CB GLU A 54 -15.231 7.456 1.971 1.00 1.34 C ATOM 970 CG GLU A 54 -15.810 7.007 0.627 1.00 1.18 C ATOM 971 CD GLU A 54 -15.369 7.924 -0.419 1.00 1.29 C ATOM 972 OE1 GLU A 54 -15.653 9.139 -0.348 1.00 1.87 O ATOM 973 OE2 GLU A 54 -14.703 7.493 -1.385 1.00 1.61 O ATOM 0 H GLU A 54 -15.002 4.931 1.745 1.00 1.24 H new ATOM 0 HA GLU A 54 -15.056 6.766 4.011 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -15.664 8.416 2.252 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -14.156 7.608 1.872 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -15.484 5.992 0.398 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -16.899 6.989 0.675 1.00 1.18 H new ATOM 980 N GLN A 55 -17.825 5.809 2.518 1.00 1.23 N ATOM 981 CA GLN A 55 -19.200 5.893 2.834 1.00 1.27 C ATOM 982 C GLN A 55 -19.627 4.928 3.846 1.00 1.33 C ATOM 983 O GLN A 55 -20.820 4.953 4.218 1.00 1.41 O ATOM 984 CB GLN A 55 -20.045 5.721 1.569 1.00 1.22 C ATOM 985 CG GLN A 55 -20.053 4.265 1.102 1.00 1.34 C ATOM 986 CD GLN A 55 -21.098 3.546 1.824 1.00 2.13 C ATOM 987 OE1 GLN A 55 -22.259 4.009 1.860 1.00 2.59 O ATOM 988 NE2 GLN A 55 -20.820 2.399 2.457 1.00 2.88 N ATOM 0 H GLN A 55 -17.601 5.361 1.630 1.00 1.23 H new ATOM 0 HA GLN A 55 -19.354 6.884 3.260 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -21.066 6.049 1.764 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -19.651 6.358 0.776 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -20.233 4.214 0.028 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -19.082 3.804 1.285 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -19.874 2.018 2.430 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -21.554 1.907 2.966 1.00 2.88 H new ATOM 997 N GLN A 56 -18.790 4.020 4.372 1.00 1.34 N ATOM 998 CA GLN A 56 -19.262 3.124 5.354 1.00 1.42 C ATOM 999 C GLN A 56 -19.605 3.826 6.588 1.00 1.54 C ATOM 1000 O GLN A 56 -20.653 3.519 7.198 1.00 1.59 O ATOM 1001 CB GLN A 56 -18.179 2.091 5.669 1.00 1.47 C ATOM 1002 CG GLN A 56 -18.727 1.087 6.684 1.00 1.66 C ATOM 1003 CD GLN A 56 -19.913 0.438 6.132 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -21.001 0.499 6.743 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -19.832 -0.230 4.973 1.00 2.10 N ATOM 0 H GLN A 56 -17.808 3.913 4.118 1.00 1.34 H new ATOM 0 HA GLN A 56 -20.155 2.637 4.962 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -17.874 1.576 4.758 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -17.293 2.585 6.069 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -17.968 0.341 6.921 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -18.977 1.595 7.616 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -18.944 -0.280 4.474 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -20.659 -0.689 4.590 1.00 2.10 H new ATOM 1014 N ILE A 57 -18.810 4.786 7.083 1.00 1.64 N ATOM 1015 CA ILE A 57 -19.180 5.416 8.289 1.00 1.81 C ATOM 1016 C ILE A 57 -19.755 6.734 8.036 1.00 1.89 C ATOM 1017 O ILE A 57 -20.382 7.305 8.955 1.00 2.07 O ATOM 1018 CB ILE A 57 -17.983 5.548 9.233 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -17.218 6.834 8.918 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -17.060 4.343 9.047 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -17.919 8.009 9.605 1.00 2.66 C ATOM 0 H ILE A 57 -17.941 5.112 6.660 1.00 1.64 H new ATOM 0 HA ILE A 57 -19.933 4.789 8.765 1.00 1.81 H new ATOM 0 HB ILE A 57 -18.334 5.584 10.264 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -16.188 6.754 9.265 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -17.180 6.996 7.841 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -16.205 4.432 9.718 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -17.606 3.428 9.275 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -16.710 4.309 8.015 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -17.381 8.932 9.387 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -18.941 8.089 9.236 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -17.934 7.844 10.682 1.00 2.66 H new ATOM 1033 N GLY A 58 -19.598 7.357 6.858 1.00 1.79 N ATOM 1034 CA GLY A 58 -20.098 8.670 6.722 1.00 1.90 C ATOM 1035 C GLY A 58 -19.059 9.578 6.236 1.00 1.88 C ATOM 1036 O GLY A 58 -19.210 10.807 6.405 1.00 1.99 O ATOM 0 H GLY A 58 -19.142 6.965 6.034 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -20.941 8.672 6.031 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -20.473 9.022 7.683 1.00 1.90 H new ATOM 1040 N TRP A 59 -17.988 9.076 5.598 1.00 1.76 N ATOM 1041 CA TRP A 59 -16.959 9.855 5.008 1.00 1.74 C ATOM 1042 C TRP A 59 -15.873 10.242 5.910 1.00 1.84 C ATOM 1043 O TRP A 59 -14.865 10.785 5.407 1.00 1.91 O ATOM 1044 CB TRP A 59 -17.499 11.120 4.334 1.00 1.80 C ATOM 1045 CG TRP A 59 -16.401 11.787 3.643 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -15.843 11.437 2.417 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -15.720 12.915 4.070 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -14.866 12.313 2.119 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -14.778 13.214 3.109 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -15.864 13.677 5.219 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -13.929 14.301 3.251 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -15.016 14.772 5.372 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -14.061 15.080 4.399 1.00 3.69 C ATOM 0 H TRP A 59 -17.837 8.073 5.491 1.00 1.76 H new ATOM 0 HA TRP A 59 -16.538 9.176 4.266 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -18.290 10.864 3.629 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -17.938 11.786 5.077 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -16.145 10.600 1.805 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -14.288 12.295 1.279 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -16.604 13.432 5.966 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -13.191 14.536 2.498 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -15.098 15.391 6.254 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -13.416 15.935 4.539 1.00 3.69 H new ATOM 1064 N SER A 60 -15.889 10.050 7.238 1.00 1.88 N ATOM 1065 CA SER A 60 -14.749 10.451 7.973 1.00 1.98 C ATOM 1066 C SER A 60 -13.693 9.441 7.857 1.00 1.92 C ATOM 1067 O SER A 60 -12.570 9.691 8.344 1.00 1.98 O ATOM 1068 CB SER A 60 -15.069 10.727 9.445 1.00 2.09 C ATOM 1069 OG SER A 60 -15.391 9.523 10.120 1.00 2.15 O ATOM 0 H SER A 60 -16.652 9.638 7.775 1.00 1.88 H new ATOM 0 HA SER A 60 -14.400 11.390 7.543 1.00 1.98 H new ATOM 0 HB2 SER A 60 -14.214 11.202 9.926 1.00 2.09 H new ATOM 0 HB3 SER A 60 -15.903 11.425 9.517 1.00 2.09 H new ATOM 0 HG SER A 60 -15.591 9.718 11.059 1.00 2.15 H new ATOM 1075 N HIS A 61 -13.943 8.272 7.237 1.00 1.87 N ATOM 1076 CA HIS A 61 -12.975 7.263 6.987 1.00 1.91 C ATOM 1077 C HIS A 61 -11.974 7.046 8.035 1.00 1.97 C ATOM 1078 O HIS A 61 -10.761 7.140 7.744 1.00 2.60 O ATOM 1079 CB HIS A 61 -12.285 7.489 5.635 1.00 2.74 C ATOM 1080 CG HIS A 61 -11.552 8.752 5.588 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -12.067 9.966 5.346 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -10.184 8.912 5.756 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -11.066 10.859 5.360 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -9.915 10.217 5.613 1.00 4.06 N ATOM 0 H HIS A 61 -14.871 8.024 6.895 1.00 1.87 H new ATOM 0 HA HIS A 61 -13.560 6.343 6.974 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -11.598 6.666 5.439 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -13.033 7.476 4.842 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -13.051 10.175 5.180 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -9.469 8.130 5.964 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -11.170 11.921 5.195 1.00 4.69 H new ATOM 1093 N PRO A 62 -12.314 6.763 9.304 1.00 1.93 N ATOM 1094 CA PRO A 62 -11.348 6.526 10.307 1.00 2.45 C ATOM 1095 C PRO A 62 -10.968 5.144 10.335 1.00 2.07 C ATOM 1096 O PRO A 62 -10.243 4.742 11.230 1.00 2.31 O ATOM 1097 CB PRO A 62 -12.119 6.828 11.589 1.00 3.15 C ATOM 1098 CG PRO A 62 -13.522 6.337 11.239 1.00 2.98 C ATOM 1099 CD PRO A 62 -13.666 6.686 9.755 1.00 2.10 C ATOM 0 HA PRO A 62 -10.441 7.113 10.160 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -11.705 6.300 12.448 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -12.107 7.891 11.831 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -13.626 5.266 11.411 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -14.282 6.832 11.843 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -14.228 5.924 9.215 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -14.192 7.630 9.613 1.00 2.10 H new ATOM 1107 N GLN A 63 -11.410 4.302 9.432 1.00 1.69 N ATOM 1108 CA GLN A 63 -11.086 2.930 9.495 1.00 1.52 C ATOM 1109 C GLN A 63 -9.715 2.651 9.074 1.00 1.57 C ATOM 1110 O GLN A 63 -9.526 1.965 8.047 1.00 1.92 O ATOM 1111 CB GLN A 63 -12.023 2.173 8.553 1.00 1.70 C ATOM 1112 CG GLN A 63 -13.468 2.303 9.037 1.00 2.04 C ATOM 1113 CD GLN A 63 -14.343 1.560 8.135 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -13.829 0.939 7.064 1.00 3.20 O flip ATOM 1115 NE2 GLN A 63 -15.570 1.500 8.362 1.00 2.72 N flip ATOM 0 H GLN A 63 -12.001 4.564 8.643 1.00 1.69 H new ATOM 0 HA GLN A 63 -11.191 2.617 10.534 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -11.933 2.569 7.541 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -11.738 1.122 8.511 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -13.560 1.918 10.052 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -13.762 3.352 9.066 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -15.962 1.972 9.177 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -16.180 0.979 7.733 1.00 2.72 H new ATOM 1124 N PHE A 64 -8.662 3.086 9.781 1.00 1.51 N ATOM 1125 CA PHE A 64 -7.358 2.710 9.398 1.00 1.64 C ATOM 1126 C PHE A 64 -7.106 1.400 9.990 1.00 1.92 C ATOM 1127 O PHE A 64 -6.697 0.449 9.290 1.00 2.61 O ATOM 1128 CB PHE A 64 -6.333 3.710 9.940 1.00 1.89 C ATOM 1129 CG PHE A 64 -6.453 4.988 9.242 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -7.498 5.854 9.542 1.00 3.73 C ATOM 1131 CD2 PHE A 64 -5.499 5.353 8.300 1.00 3.61 C ATOM 1132 CE1 PHE A 64 -7.601 7.075 8.887 1.00 4.94 C ATOM 1133 CE2 PHE A 64 -5.601 6.575 7.644 1.00 4.84 C ATOM 1134 CZ PHE A 64 -6.654 7.435 7.935 1.00 5.47 C ATOM 0 H PHE A 64 -8.719 3.688 10.603 1.00 1.51 H new ATOM 0 HA PHE A 64 -7.271 2.687 8.312 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -6.487 3.856 11.009 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -5.326 3.313 9.815 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -8.231 5.577 10.285 1.00 3.73 H new ATOM 0 HD2 PHE A 64 -4.678 4.688 8.077 1.00 3.61 H new ATOM 0 HE1 PHE A 64 -8.417 7.744 9.117 1.00 4.94 H new ATOM 0 HE2 PHE A 64 -4.862 6.856 6.908 1.00 4.84 H new ATOM 0 HZ PHE A 64 -6.736 8.382 7.422 1.00 5.47 H new ATOM 1144 N GLU A 65 -7.373 1.217 11.289 1.00 2.15 N ATOM 1145 CA GLU A 65 -7.161 -0.034 11.900 1.00 3.00 C ATOM 1146 C GLU A 65 -8.445 -0.551 12.365 1.00 3.61 C ATOM 1147 O GLU A 65 -8.498 -1.643 12.970 1.00 4.51 O ATOM 1148 CB GLU A 65 -6.202 0.135 13.079 1.00 3.51 C ATOM 1149 CG GLU A 65 -6.812 1.102 14.095 1.00 3.70 C ATOM 1150 CD GLU A 65 -5.874 1.315 15.192 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -4.755 1.825 14.968 1.00 5.13 O ATOM 1152 OE2 GLU A 65 -6.191 0.992 16.358 1.00 5.30 O ATOM 0 H GLU A 65 -7.736 1.940 11.910 1.00 2.15 H new ATOM 0 HA GLU A 65 -6.724 -0.734 11.188 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -6.011 -0.830 13.548 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -5.242 0.515 12.730 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -7.046 2.052 13.614 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -7.750 0.699 14.478 1.00 3.70 H new ATOM 1159 N LYS A 66 -9.567 0.151 12.142 1.00 3.38 N ATOM 1160 CA LYS A 66 -10.812 -0.331 12.595 1.00 4.28 C ATOM 1161 C LYS A 66 -11.637 -0.702 11.449 1.00 5.06 C ATOM 1162 O LYS A 66 -12.744 -0.150 11.271 1.00 5.16 O ATOM 1163 CB LYS A 66 -11.513 0.772 13.390 1.00 4.09 C ATOM 1164 CG LYS A 66 -10.690 1.110 14.634 1.00 3.93 C ATOM 1165 CD LYS A 66 -11.340 2.275 15.382 1.00 4.32 C ATOM 1166 CE LYS A 66 -11.201 3.555 14.554 1.00 4.83 C ATOM 1167 NZ LYS A 66 -11.769 4.677 15.299 1.00 5.28 N ATOM 1168 OXT LYS A 66 -11.241 -1.579 10.652 1.00 5.89 O ATOM 0 H LYS A 66 -9.603 1.044 11.651 1.00 3.38 H new ATOM 0 HA LYS A 66 -10.661 -1.205 13.229 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -11.635 1.660 12.770 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -12.512 0.446 13.680 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -10.624 0.239 15.286 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -9.671 1.372 14.348 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -12.393 2.061 15.566 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -10.867 2.406 16.355 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -10.151 3.746 14.332 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -11.714 3.441 13.599 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -11.676 5.548 14.739 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -12.775 4.494 15.490 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -11.261 4.789 16.200 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 4.331 -18.946 -1.088 1.00 4.10 N ATOM 1184 CA MET B 1 4.105 -18.572 -2.483 1.00 3.64 C ATOM 1185 C MET B 1 3.367 -17.312 -2.552 1.00 3.21 C ATOM 1186 O MET B 1 2.794 -16.986 -3.613 1.00 3.62 O ATOM 1187 CB MET B 1 3.294 -19.676 -3.164 1.00 4.45 C ATOM 1188 CG MET B 1 1.909 -19.771 -2.520 1.00 5.33 C ATOM 1189 SD MET B 1 0.997 -21.132 -3.265 1.00 5.99 S ATOM 1190 CE MET B 1 -0.461 -20.780 -2.271 1.00 6.70 C ATOM 0 H1 MET B 1 4.219 -19.974 -0.982 1.00 4.10 H new ATOM 0 H2 MET B 1 5.294 -18.672 -0.807 1.00 4.10 H new ATOM 0 H3 MET B 1 3.641 -18.458 -0.482 1.00 4.10 H new ATOM 0 HA MET B 1 5.064 -18.446 -2.986 1.00 3.64 H new ATOM 0 HB2 MET B 1 3.197 -19.465 -4.229 1.00 4.45 H new ATOM 0 HB3 MET B 1 3.813 -20.630 -3.074 1.00 4.45 H new ATOM 0 HG2 MET B 1 2.005 -19.928 -1.446 1.00 5.33 H new ATOM 0 HG3 MET B 1 1.366 -18.836 -2.658 1.00 5.33 H new ATOM 0 HE1 MET B 1 -0.880 -21.714 -1.896 1.00 6.70 H new ATOM 0 HE2 MET B 1 -0.184 -20.144 -1.431 1.00 6.70 H new ATOM 0 HE3 MET B 1 -1.204 -20.269 -2.883 1.00 6.70 H new ATOM 1202 N GLU B 2 3.325 -16.495 -1.489 1.00 2.53 N ATOM 1203 CA GLU B 2 2.653 -15.256 -1.559 1.00 2.22 C ATOM 1204 C GLU B 2 3.617 -14.174 -1.766 1.00 1.85 C ATOM 1205 O GLU B 2 3.271 -13.001 -1.511 1.00 1.99 O ATOM 1206 CB GLU B 2 1.882 -15.009 -0.260 1.00 2.48 C ATOM 1207 CG GLU B 2 2.862 -14.949 0.912 1.00 2.85 C ATOM 1208 CD GLU B 2 3.031 -16.269 1.510 1.00 3.41 C ATOM 1209 OE1 GLU B 2 3.446 -17.224 0.819 1.00 3.75 O ATOM 1210 OE2 GLU B 2 2.767 -16.441 2.720 1.00 3.99 O ATOM 0 H GLU B 2 3.757 -16.698 -0.588 1.00 2.53 H new ATOM 0 HA GLU B 2 1.955 -15.281 -2.396 1.00 2.22 H new ATOM 0 HB2 GLU B 2 1.323 -14.076 -0.328 1.00 2.48 H new ATOM 0 HB3 GLU B 2 1.155 -15.805 -0.099 1.00 2.48 H new ATOM 0 HG2 GLU B 2 3.826 -14.574 0.568 1.00 2.85 H new ATOM 0 HG3 GLU B 2 2.497 -14.248 1.663 1.00 2.85 H new ATOM 1217 N LYS B 3 4.855 -14.444 -2.212 1.00 1.85 N ATOM 1218 CA LYS B 3 5.853 -13.451 -2.372 1.00 1.95 C ATOM 1219 C LYS B 3 6.154 -12.813 -1.091 1.00 1.67 C ATOM 1220 O LYS B 3 6.285 -11.572 -1.024 1.00 1.92 O ATOM 1221 CB LYS B 3 5.464 -12.365 -3.381 1.00 2.60 C ATOM 1222 CG LYS B 3 5.840 -12.753 -4.813 1.00 3.26 C ATOM 1223 CD LYS B 3 4.864 -13.790 -5.371 1.00 3.92 C ATOM 1224 CE LYS B 3 5.311 -15.202 -4.992 1.00 4.14 C ATOM 1225 NZ LYS B 3 4.423 -16.165 -5.638 1.00 4.84 N ATOM 0 H LYS B 3 5.165 -15.382 -2.467 1.00 1.85 H new ATOM 0 HA LYS B 3 6.731 -13.969 -2.758 1.00 1.95 H new ATOM 0 HB2 LYS B 3 4.391 -12.185 -3.324 1.00 2.60 H new ATOM 0 HB3 LYS B 3 5.959 -11.430 -3.117 1.00 2.60 H new ATOM 0 HG2 LYS B 3 5.837 -11.866 -5.447 1.00 3.26 H new ATOM 0 HG3 LYS B 3 6.853 -13.154 -4.831 1.00 3.26 H new ATOM 0 HD2 LYS B 3 3.863 -13.602 -4.983 1.00 3.92 H new ATOM 0 HD3 LYS B 3 4.807 -13.699 -6.456 1.00 3.92 H new ATOM 0 HE2 LYS B 3 6.341 -15.369 -5.306 1.00 4.14 H new ATOM 0 HE3 LYS B 3 5.283 -15.329 -3.910 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 4.958 -17.024 -5.878 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 3.647 -16.410 -4.991 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 4.031 -15.748 -6.506 1.00 4.84 H new ATOM 1239 N ARG B 4 6.295 -13.570 0.004 1.00 1.50 N ATOM 1240 CA ARG B 4 6.670 -13.022 1.251 1.00 1.29 C ATOM 1241 C ARG B 4 7.364 -14.064 2.008 1.00 1.50 C ATOM 1242 O ARG B 4 6.845 -14.536 3.042 1.00 1.81 O ATOM 1243 CB ARG B 4 5.412 -12.500 1.953 1.00 1.45 C ATOM 1244 CG ARG B 4 5.545 -12.531 3.477 1.00 1.70 C ATOM 1245 CD ARG B 4 4.864 -13.805 3.989 1.00 2.72 C ATOM 1246 NE ARG B 4 4.895 -13.844 5.398 1.00 3.33 N ATOM 1247 CZ ARG B 4 4.284 -14.843 6.050 1.00 4.45 C ATOM 1248 NH1 ARG B 4 3.628 -15.794 5.368 1.00 5.09 N ATOM 1249 NH2 ARG B 4 4.322 -14.890 7.389 1.00 5.20 N ATOM 0 H ARG B 4 6.145 -14.579 0.018 1.00 1.50 H new ATOM 0 HA ARG B 4 7.351 -12.177 1.148 1.00 1.29 H new ATOM 0 HB2 ARG B 4 5.214 -11.479 1.628 1.00 1.45 H new ATOM 0 HB3 ARG B 4 4.554 -13.102 1.653 1.00 1.45 H new ATOM 0 HG2 ARG B 4 6.595 -12.518 3.768 1.00 1.70 H new ATOM 0 HG3 ARG B 4 5.081 -11.648 3.917 1.00 1.70 H new ATOM 0 HD2 ARG B 4 3.832 -13.839 3.640 1.00 2.72 H new ATOM 0 HD3 ARG B 4 5.367 -14.683 3.583 1.00 2.72 H new ATOM 0 HE ARG B 4 5.381 -13.114 5.919 1.00 3.33 H new ATOM 0 HH11 ARG B 4 3.593 -15.759 4.349 1.00 5.09 H new ATOM 0 HH12 ARG B 4 3.164 -16.552 5.868 1.00 5.09 H new ATOM 0 HH21 ARG B 4 4.816 -14.166 7.911 1.00 5.20 H new ATOM 0 HH22 ARG B 4 3.857 -15.650 7.886 1.00 5.20 H new ATOM 1263 N PRO B 5 8.535 -14.544 1.557 1.00 1.56 N ATOM 1264 CA PRO B 5 9.238 -15.592 2.194 1.00 1.84 C ATOM 1265 C PRO B 5 9.857 -15.219 3.436 1.00 1.57 C ATOM 1266 O PRO B 5 9.538 -15.821 4.449 1.00 1.86 O ATOM 1267 CB PRO B 5 10.265 -16.028 1.151 1.00 2.15 C ATOM 1268 CG PRO B 5 10.500 -14.757 0.340 1.00 2.06 C ATOM 1269 CD PRO B 5 9.130 -14.073 0.347 1.00 1.65 C ATOM 0 HA PRO B 5 8.561 -16.392 2.495 1.00 1.84 H new ATOM 0 HB2 PRO B 5 11.184 -16.385 1.616 1.00 2.15 H new ATOM 0 HB3 PRO B 5 9.887 -16.839 0.528 1.00 2.15 H new ATOM 0 HG2 PRO B 5 11.266 -14.127 0.793 1.00 2.06 H new ATOM 0 HG3 PRO B 5 10.831 -14.983 -0.674 1.00 2.06 H new ATOM 0 HD2 PRO B 5 9.222 -12.987 0.340 1.00 1.65 H new ATOM 0 HD3 PRO B 5 8.538 -14.348 -0.526 1.00 1.65 H new ATOM 1277 N ARG B 6 10.792 -14.299 3.519 1.00 1.20 N ATOM 1278 CA ARG B 6 11.385 -14.052 4.780 1.00 1.13 C ATOM 1279 C ARG B 6 11.150 -12.682 5.225 1.00 1.07 C ATOM 1280 O ARG B 6 12.144 -11.951 5.420 1.00 1.45 O ATOM 1281 CB ARG B 6 12.911 -14.197 4.738 1.00 1.21 C ATOM 1282 CG ARG B 6 13.330 -15.639 4.456 1.00 1.55 C ATOM 1283 CD ARG B 6 13.498 -15.808 2.946 1.00 1.87 C ATOM 1284 NE ARG B 6 13.808 -17.149 2.642 1.00 2.69 N ATOM 1285 CZ ARG B 6 13.999 -17.518 1.367 1.00 3.24 C ATOM 1286 NH1 ARG B 6 13.903 -16.611 0.386 1.00 3.20 N ATOM 1287 NH2 ARG B 6 14.288 -18.794 1.073 1.00 4.21 N ATOM 0 H ARG B 6 11.139 -13.733 2.744 1.00 1.20 H new ATOM 0 HA ARG B 6 10.932 -14.783 5.450 1.00 1.13 H new ATOM 0 HB2 ARG B 6 13.319 -13.542 3.968 1.00 1.21 H new ATOM 0 HB3 ARG B 6 13.334 -13.874 5.689 1.00 1.21 H new ATOM 0 HG2 ARG B 6 14.264 -15.870 4.969 1.00 1.55 H new ATOM 0 HG3 ARG B 6 12.579 -16.333 4.834 1.00 1.55 H new ATOM 0 HD2 ARG B 6 12.582 -15.513 2.435 1.00 1.87 H new ATOM 0 HD3 ARG B 6 14.290 -15.152 2.584 1.00 1.87 H new ATOM 0 HE ARG B 6 13.887 -17.837 3.390 1.00 2.69 H new ATOM 0 HH11 ARG B 6 13.685 -15.640 0.609 1.00 3.20 H new ATOM 0 HH12 ARG B 6 14.048 -16.891 -0.584 1.00 3.20 H new ATOM 0 HH21 ARG B 6 14.363 -19.485 1.820 1.00 4.21 H new ATOM 0 HH22 ARG B 6 14.433 -19.074 0.103 1.00 4.21 H new ATOM 1301 N THR B 7 9.902 -12.243 5.454 1.00 0.98 N ATOM 1302 CA THR B 7 9.621 -10.959 5.988 1.00 0.87 C ATOM 1303 C THR B 7 10.520 -9.911 5.501 1.00 0.88 C ATOM 1304 O THR B 7 11.123 -9.196 6.332 1.00 0.89 O ATOM 1305 CB THR B 7 9.729 -11.029 7.514 1.00 0.86 C ATOM 1306 OG1 THR B 7 11.060 -11.355 7.888 1.00 0.94 O ATOM 1307 CG2 THR B 7 8.791 -12.116 8.044 1.00 0.90 C ATOM 0 H THR B 7 9.069 -12.799 5.261 1.00 0.98 H new ATOM 0 HA THR B 7 8.616 -10.692 5.661 1.00 0.87 H new ATOM 0 HB THR B 7 9.454 -10.061 7.933 1.00 0.86 H new ATOM 0 HG1 THR B 7 11.655 -10.609 7.665 1.00 0.94 H new ATOM 0 HG21 THR B 7 8.868 -12.165 9.130 1.00 0.90 H new ATOM 0 HG22 THR B 7 7.765 -11.879 7.764 1.00 0.90 H new ATOM 0 HG23 THR B 7 9.071 -13.079 7.616 1.00 0.90 H new ATOM 1315 N GLU B 8 10.713 -9.694 4.192 1.00 0.91 N ATOM 1316 CA GLU B 8 11.625 -8.695 3.790 1.00 0.98 C ATOM 1317 C GLU B 8 11.083 -7.861 2.722 1.00 0.96 C ATOM 1318 O GLU B 8 11.654 -7.890 1.611 1.00 1.30 O ATOM 1319 CB GLU B 8 12.879 -9.391 3.259 1.00 1.20 C ATOM 1320 CG GLU B 8 12.488 -10.336 2.121 1.00 1.29 C ATOM 1321 CD GLU B 8 13.679 -11.019 1.626 1.00 1.75 C ATOM 1322 OE1 GLU B 8 14.620 -10.358 1.136 1.00 2.23 O ATOM 1323 OE2 GLU B 8 13.760 -12.264 1.697 1.00 2.26 O ATOM 0 H GLU B 8 10.249 -10.198 3.436 1.00 0.91 H new ATOM 0 HA GLU B 8 11.838 -8.056 4.647 1.00 0.98 H new ATOM 0 HB2 GLU B 8 13.596 -8.652 2.903 1.00 1.20 H new ATOM 0 HB3 GLU B 8 13.366 -9.948 4.059 1.00 1.20 H new ATOM 0 HG2 GLU B 8 11.758 -11.065 2.473 1.00 1.29 H new ATOM 0 HG3 GLU B 8 12.015 -9.775 1.314 1.00 1.29 H new ATOM 1330 N PHE B 9 10.021 -7.070 2.953 1.00 0.75 N ATOM 1331 CA PHE B 9 9.472 -6.192 1.980 1.00 0.68 C ATOM 1332 C PHE B 9 9.543 -6.731 0.622 1.00 0.81 C ATOM 1333 O PHE B 9 10.088 -6.060 -0.282 1.00 0.93 O ATOM 1334 CB PHE B 9 10.080 -4.785 2.050 1.00 0.55 C ATOM 1335 CG PHE B 9 11.514 -4.786 1.772 1.00 0.57 C ATOM 1336 CD1 PHE B 9 11.971 -4.860 0.461 1.00 0.87 C ATOM 1337 CD2 PHE B 9 12.424 -4.727 2.821 1.00 0.82 C ATOM 1338 CE1 PHE B 9 13.336 -4.873 0.200 1.00 0.92 C ATOM 1339 CE2 PHE B 9 13.789 -4.731 2.559 1.00 0.89 C ATOM 1340 CZ PHE B 9 14.245 -4.806 1.249 1.00 0.72 C ATOM 0 H PHE B 9 9.532 -7.044 3.848 1.00 0.75 H new ATOM 0 HA PHE B 9 8.415 -6.104 2.232 1.00 0.68 H new ATOM 0 HB2 PHE B 9 9.574 -4.137 1.334 1.00 0.55 H new ATOM 0 HB3 PHE B 9 9.904 -4.365 3.040 1.00 0.55 H new ATOM 0 HD1 PHE B 9 11.265 -4.907 -0.355 1.00 0.87 H new ATOM 0 HD2 PHE B 9 12.070 -4.678 3.840 1.00 0.82 H new ATOM 0 HE1 PHE B 9 13.690 -4.935 -0.818 1.00 0.92 H new ATOM 0 HE2 PHE B 9 14.495 -4.676 3.374 1.00 0.89 H new ATOM 0 HZ PHE B 9 15.306 -4.812 1.046 1.00 0.72 H new ATOM 1350 N SER B 10 9.049 -7.951 0.363 1.00 0.92 N ATOM 1351 CA SER B 10 9.132 -8.520 -0.928 1.00 1.07 C ATOM 1352 C SER B 10 8.098 -7.956 -1.793 1.00 0.95 C ATOM 1353 O SER B 10 7.294 -7.130 -1.317 1.00 0.79 O ATOM 1354 CB SER B 10 8.953 -10.034 -0.810 1.00 1.27 C ATOM 1355 OG SER B 10 10.014 -10.580 -0.040 1.00 1.65 O ATOM 0 H SER B 10 8.591 -8.541 1.057 1.00 0.92 H new ATOM 0 HA SER B 10 10.105 -8.298 -1.367 1.00 1.07 H new ATOM 0 HB2 SER B 10 7.995 -10.262 -0.342 1.00 1.27 H new ATOM 0 HB3 SER B 10 8.939 -10.487 -1.801 1.00 1.27 H new ATOM 0 HG SER B 10 10.407 -11.341 -0.517 1.00 1.65 H new ATOM 1361 N GLU B 11 8.028 -8.318 -3.085 1.00 1.08 N ATOM 1362 CA GLU B 11 7.100 -7.747 -3.991 1.00 1.08 C ATOM 1363 C GLU B 11 5.773 -7.563 -3.406 1.00 0.97 C ATOM 1364 O GLU B 11 5.266 -6.420 -3.384 1.00 0.94 O ATOM 1365 CB GLU B 11 6.980 -8.656 -5.216 1.00 1.26 C ATOM 1366 CG GLU B 11 6.021 -8.017 -6.223 1.00 1.21 C ATOM 1367 CD GLU B 11 6.587 -6.761 -6.706 1.00 1.81 C ATOM 1368 OE1 GLU B 11 6.819 -5.833 -5.902 1.00 2.29 O ATOM 1369 OE2 GLU B 11 6.821 -6.602 -7.924 1.00 2.60 O ATOM 0 H GLU B 11 8.633 -9.024 -3.504 1.00 1.08 H new ATOM 0 HA GLU B 11 7.475 -6.760 -4.262 1.00 1.08 H new ATOM 0 HB2 GLU B 11 7.959 -8.804 -5.671 1.00 1.26 H new ATOM 0 HB3 GLU B 11 6.614 -9.639 -4.920 1.00 1.26 H new ATOM 0 HG2 GLU B 11 5.849 -8.696 -7.058 1.00 1.21 H new ATOM 0 HG3 GLU B 11 5.053 -7.836 -5.755 1.00 1.21 H new ATOM 1376 N GLU B 12 5.102 -8.622 -2.930 1.00 0.93 N ATOM 1377 CA GLU B 12 3.825 -8.521 -2.326 1.00 0.82 C ATOM 1378 C GLU B 12 3.706 -7.404 -1.385 1.00 0.71 C ATOM 1379 O GLU B 12 2.607 -6.819 -1.259 1.00 0.70 O ATOM 1380 CB GLU B 12 3.619 -9.811 -1.528 1.00 0.86 C ATOM 1381 CG GLU B 12 2.192 -9.901 -0.990 1.00 1.17 C ATOM 1382 CD GLU B 12 1.265 -10.053 -2.106 1.00 2.12 C ATOM 1383 OE1 GLU B 12 1.408 -10.990 -2.920 1.00 2.45 O ATOM 1384 OE2 GLU B 12 0.334 -9.234 -2.255 1.00 2.73 O ATOM 0 H GLU B 12 5.463 -9.575 -2.969 1.00 0.93 H new ATOM 0 HA GLU B 12 3.091 -8.359 -3.115 1.00 0.82 H new ATOM 0 HB2 GLU B 12 3.827 -10.672 -2.163 1.00 0.86 H new ATOM 0 HB3 GLU B 12 4.327 -9.847 -0.700 1.00 0.86 H new ATOM 0 HG2 GLU B 12 2.101 -10.747 -0.309 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.949 -9.004 -0.420 1.00 1.17 H new ATOM 1391 N GLN B 13 4.771 -7.051 -0.646 1.00 0.67 N ATOM 1392 CA GLN B 13 4.718 -6.055 0.350 1.00 0.57 C ATOM 1393 C GLN B 13 5.306 -4.790 -0.099 1.00 0.52 C ATOM 1394 O GLN B 13 5.214 -3.780 0.632 1.00 0.47 O ATOM 1395 CB GLN B 13 5.570 -6.595 1.502 1.00 0.62 C ATOM 1396 CG GLN B 13 5.084 -7.998 1.876 1.00 0.82 C ATOM 1397 CD GLN B 13 6.036 -8.627 2.787 1.00 1.47 C ATOM 1398 OE1 GLN B 13 7.196 -8.889 2.396 1.00 2.34 O ATOM 1399 NE2 GLN B 13 5.666 -8.947 4.034 1.00 2.04 N ATOM 0 H GLN B 13 5.692 -7.477 -0.752 1.00 0.67 H new ATOM 0 HA GLN B 13 3.682 -5.851 0.621 1.00 0.57 H new ATOM 0 HB2 GLN B 13 6.619 -6.627 1.209 1.00 0.62 H new ATOM 0 HB3 GLN B 13 5.500 -5.931 2.364 1.00 0.62 H new ATOM 0 HG2 GLN B 13 4.102 -7.939 2.346 1.00 0.82 H new ATOM 0 HG3 GLN B 13 4.972 -8.605 0.978 1.00 0.82 H new ATOM 0 HE21 GLN B 13 4.722 -8.735 4.356 1.00 2.04 H new ATOM 0 HE22 GLN B 13 6.329 -9.403 4.662 1.00 2.04 H new ATOM 1408 N LYS B 14 5.966 -4.708 -1.266 1.00 0.57 N ATOM 1409 CA LYS B 14 6.525 -3.485 -1.708 1.00 0.57 C ATOM 1410 C LYS B 14 5.455 -2.600 -2.152 1.00 0.60 C ATOM 1411 O LYS B 14 5.456 -1.398 -1.815 1.00 0.60 O ATOM 1412 CB LYS B 14 7.438 -3.735 -2.912 1.00 0.65 C ATOM 1413 CG LYS B 14 8.736 -4.426 -2.488 1.00 0.67 C ATOM 1414 CD LYS B 14 9.574 -4.745 -3.729 1.00 1.04 C ATOM 1415 CE LYS B 14 10.848 -5.491 -3.324 1.00 1.36 C ATOM 1416 NZ LYS B 14 11.646 -5.797 -4.512 1.00 1.71 N ATOM 0 H LYS B 14 6.109 -5.494 -1.900 1.00 0.57 H new ATOM 0 HA LYS B 14 7.087 -3.041 -0.886 1.00 0.57 H new ATOM 0 HB2 LYS B 14 6.917 -4.351 -3.645 1.00 0.65 H new ATOM 0 HB3 LYS B 14 7.669 -2.788 -3.399 1.00 0.65 H new ATOM 0 HG2 LYS B 14 9.299 -3.783 -1.812 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.511 -5.343 -1.943 1.00 0.67 H new ATOM 0 HD2 LYS B 14 8.993 -5.351 -4.424 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.833 -3.823 -4.250 1.00 1.04 H new ATOM 0 HE2 LYS B 14 11.430 -4.884 -2.631 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.590 -6.412 -2.802 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 12.509 -6.303 -4.229 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 11.091 -6.393 -5.159 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 11.906 -4.912 -4.993 1.00 1.71 H new ATOM 1430 N LYS B 15 4.479 -3.125 -2.906 1.00 0.68 N ATOM 1431 CA LYS B 15 3.393 -2.381 -3.422 1.00 0.73 C ATOM 1432 C LYS B 15 2.828 -1.432 -2.464 1.00 0.66 C ATOM 1433 O LYS B 15 2.609 -0.255 -2.820 1.00 0.70 O ATOM 1434 CB LYS B 15 2.313 -3.426 -3.677 1.00 0.82 C ATOM 1435 CG LYS B 15 2.698 -4.323 -4.853 1.00 0.97 C ATOM 1436 CD LYS B 15 2.200 -5.723 -4.502 1.00 1.51 C ATOM 1437 CE LYS B 15 0.772 -5.611 -3.972 1.00 1.07 C ATOM 1438 NZ LYS B 15 0.416 -6.857 -3.299 1.00 1.94 N ATOM 0 H LYS B 15 4.451 -4.111 -3.164 1.00 0.68 H new ATOM 0 HA LYS B 15 3.725 -1.809 -4.289 1.00 0.73 H new ATOM 0 HB2 LYS B 15 2.168 -4.032 -2.783 1.00 0.82 H new ATOM 0 HB3 LYS B 15 1.364 -2.932 -3.885 1.00 0.82 H new ATOM 0 HG2 LYS B 15 2.243 -3.969 -5.778 1.00 0.97 H new ATOM 0 HG3 LYS B 15 3.777 -4.321 -5.007 1.00 0.97 H new ATOM 0 HD2 LYS B 15 2.228 -6.367 -5.381 1.00 1.51 H new ATOM 0 HD3 LYS B 15 2.847 -6.179 -3.753 1.00 1.51 H new ATOM 0 HE2 LYS B 15 0.692 -4.773 -3.280 1.00 1.07 H new ATOM 0 HE3 LYS B 15 0.081 -5.415 -4.791 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 -0.543 -6.777 -2.905 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 0.446 -7.641 -3.982 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 1.092 -7.042 -2.530 1.00 1.94 H new ATOM 1452 N ALA B 16 2.541 -1.815 -1.212 1.00 0.58 N ATOM 1453 CA ALA B 16 1.968 -0.913 -0.289 1.00 0.53 C ATOM 1454 C ALA B 16 2.862 0.211 -0.013 1.00 0.50 C ATOM 1455 O ALA B 16 2.401 1.368 0.100 1.00 0.60 O ATOM 1456 CB ALA B 16 1.705 -1.668 1.016 1.00 0.46 C ATOM 0 H ALA B 16 2.709 -2.752 -0.845 1.00 0.58 H new ATOM 0 HA ALA B 16 1.045 -0.516 -0.712 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.262 -0.990 1.745 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.021 -2.495 0.826 1.00 0.46 H new ATOM 0 HB3 ALA B 16 2.645 -2.057 1.407 1.00 0.46 H new ATOM 1462 N LEU B 17 4.182 0.005 0.108 1.00 0.44 N ATOM 1463 CA LEU B 17 5.057 1.074 0.402 1.00 0.46 C ATOM 1464 C LEU B 17 5.431 1.775 -0.825 1.00 0.57 C ATOM 1465 O LEU B 17 6.103 2.826 -0.751 1.00 0.71 O ATOM 1466 CB LEU B 17 6.330 0.522 1.041 1.00 0.42 C ATOM 1467 CG LEU B 17 6.115 0.208 2.521 1.00 0.36 C ATOM 1468 CD1 LEU B 17 4.893 -0.690 2.701 1.00 0.38 C ATOM 1469 CD2 LEU B 17 7.361 -0.509 3.044 1.00 0.38 C ATOM 0 H LEU B 17 4.636 -0.902 0.001 1.00 0.44 H new ATOM 0 HA LEU B 17 4.551 1.762 1.080 1.00 0.46 H new ATOM 0 HB2 LEU B 17 6.641 -0.381 0.516 1.00 0.42 H new ATOM 0 HB3 LEU B 17 7.137 1.247 0.934 1.00 0.42 H new ATOM 0 HG LEU B 17 5.947 1.132 3.073 1.00 0.36 H new ATOM 0 HD11 LEU B 17 4.752 -0.905 3.760 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.009 -0.184 2.313 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.044 -1.623 2.158 1.00 0.38 H new ATOM 0 HD21 LEU B 17 7.230 -0.743 4.100 1.00 0.38 H new ATOM 0 HD22 LEU B 17 7.512 -1.432 2.484 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.231 0.136 2.921 1.00 0.38 H new ATOM 1481 N ASP B 18 5.067 1.290 -2.021 1.00 0.59 N ATOM 1482 CA ASP B 18 5.392 1.973 -3.209 1.00 0.70 C ATOM 1483 C ASP B 18 4.356 2.976 -3.410 1.00 0.73 C ATOM 1484 O ASP B 18 4.676 4.165 -3.623 1.00 0.82 O ATOM 1485 CB ASP B 18 5.436 0.999 -4.388 1.00 0.76 C ATOM 1486 CG ASP B 18 5.965 1.695 -5.557 1.00 0.97 C ATOM 1487 OD1 ASP B 18 5.364 2.691 -6.015 1.00 1.25 O ATOM 1488 OD2 ASP B 18 7.020 1.300 -6.098 1.00 1.74 O ATOM 0 H ASP B 18 4.547 0.423 -2.156 1.00 0.59 H new ATOM 0 HA ASP B 18 6.375 2.439 -3.139 1.00 0.70 H new ATOM 0 HB2 ASP B 18 6.063 0.141 -4.145 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.437 0.615 -4.598 1.00 0.76 H new ATOM 1493 N LEU B 19 3.071 2.596 -3.333 1.00 0.67 N ATOM 1494 CA LEU B 19 2.015 3.526 -3.431 1.00 0.70 C ATOM 1495 C LEU B 19 2.219 4.582 -2.448 1.00 0.70 C ATOM 1496 O LEU B 19 2.082 5.779 -2.784 1.00 0.84 O ATOM 1497 CB LEU B 19 0.714 2.843 -3.006 1.00 0.60 C ATOM 1498 CG LEU B 19 -0.042 2.273 -4.204 1.00 0.68 C ATOM 1499 CD1 LEU B 19 0.884 1.401 -5.053 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -1.209 1.442 -3.669 1.00 0.69 C ATOM 0 H LEU B 19 2.770 1.630 -3.201 1.00 0.67 H new ATOM 0 HA LEU B 19 1.977 3.907 -4.452 1.00 0.70 H new ATOM 0 HB2 LEU B 19 0.937 2.042 -2.302 1.00 0.60 H new ATOM 0 HB3 LEU B 19 0.081 3.560 -2.483 1.00 0.60 H new ATOM 0 HG LEU B 19 -0.410 3.081 -4.836 1.00 0.68 H new ATOM 0 HD11 LEU B 19 0.330 1.002 -5.903 1.00 1.16 H new ATOM 0 HD12 LEU B 19 1.719 2.001 -5.414 1.00 1.16 H new ATOM 0 HD13 LEU B 19 1.263 0.577 -4.448 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -1.769 1.021 -4.504 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -0.825 0.634 -3.046 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -1.866 2.077 -3.075 1.00 0.69 H new ATOM 1512 N ALA B 20 2.507 4.226 -1.187 1.00 0.62 N ATOM 1513 CA ALA B 20 2.691 5.176 -0.163 1.00 0.69 C ATOM 1514 C ALA B 20 3.884 6.003 -0.350 1.00 0.83 C ATOM 1515 O ALA B 20 3.758 7.222 -0.597 1.00 1.20 O ATOM 1516 CB ALA B 20 2.839 4.402 1.148 1.00 0.72 C ATOM 0 H ALA B 20 2.612 3.258 -0.882 1.00 0.62 H new ATOM 0 HA ALA B 20 1.835 5.850 -0.166 1.00 0.69 H new ATOM 0 HB1 ALA B 20 2.984 5.103 1.970 1.00 0.72 H new ATOM 0 HB2 ALA B 20 1.939 3.814 1.327 1.00 0.72 H new ATOM 0 HB3 ALA B 20 3.700 3.737 1.082 1.00 0.72 H new ATOM 1522 N PHE B 21 5.092 5.446 -0.169 1.00 0.88 N ATOM 1523 CA PHE B 21 6.317 6.143 -0.305 1.00 1.17 C ATOM 1524 C PHE B 21 6.272 7.529 0.168 1.00 1.60 C ATOM 1525 O PHE B 21 6.718 8.434 -0.571 1.00 2.21 O ATOM 1526 CB PHE B 21 6.818 6.104 -1.747 1.00 1.29 C ATOM 1527 CG PHE B 21 8.206 6.556 -1.742 1.00 1.15 C ATOM 1528 CD1 PHE B 21 9.179 5.780 -1.123 1.00 1.40 C ATOM 1529 CD2 PHE B 21 8.558 7.754 -2.353 1.00 1.63 C ATOM 1530 CE1 PHE B 21 10.501 6.208 -1.102 1.00 1.60 C ATOM 1531 CE2 PHE B 21 9.881 8.180 -2.334 1.00 1.73 C ATOM 1532 CZ PHE B 21 10.853 7.407 -1.710 1.00 1.50 C ATOM 0 H PHE B 21 5.213 4.465 0.083 1.00 0.88 H new ATOM 0 HA PHE B 21 7.017 5.615 0.343 1.00 1.17 H new ATOM 0 HB2 PHE B 21 6.745 5.094 -2.151 1.00 1.29 H new ATOM 0 HB3 PHE B 21 6.208 6.746 -2.382 1.00 1.29 H new ATOM 0 HD1 PHE B 21 8.907 4.844 -0.658 1.00 1.40 H new ATOM 0 HD2 PHE B 21 7.804 8.353 -2.842 1.00 1.63 H new ATOM 0 HE1 PHE B 21 11.255 5.609 -0.613 1.00 1.60 H new ATOM 0 HE2 PHE B 21 10.154 9.113 -2.805 1.00 1.73 H new ATOM 0 HZ PHE B 21 11.881 7.738 -1.698 1.00 1.50 H new ATOM 1542 N TYR B 22 5.806 7.834 1.388 1.00 1.98 N ATOM 1543 CA TYR B 22 5.773 9.175 1.835 1.00 2.49 C ATOM 1544 C TYR B 22 5.317 9.193 3.223 1.00 2.37 C ATOM 1545 O TYR B 22 4.684 8.219 3.678 1.00 2.86 O ATOM 1546 CB TYR B 22 4.860 10.051 0.971 1.00 3.05 C ATOM 1547 CG TYR B 22 4.996 11.446 1.379 1.00 4.38 C ATOM 1548 CD1 TYR B 22 6.210 12.103 1.214 1.00 4.86 C ATOM 1549 CD2 TYR B 22 3.921 12.105 1.962 1.00 4.57 C ATOM 1550 CE1 TYR B 22 6.349 13.419 1.640 1.00 5.32 C ATOM 1551 CE2 TYR B 22 4.059 13.421 2.386 1.00 5.05 C ATOM 1552 CZ TYR B 22 5.275 14.077 2.228 1.00 5.69 C ATOM 1553 OH TYR B 22 5.410 15.355 2.643 1.00 5.95 O ATOM 0 H TYR B 22 5.455 7.150 2.058 1.00 1.98 H new ATOM 0 HA TYR B 22 6.778 9.589 1.756 1.00 2.49 H new ATOM 0 HB2 TYR B 22 5.122 9.941 -0.081 1.00 3.05 H new ATOM 0 HB3 TYR B 22 3.824 9.730 1.076 1.00 3.05 H new ATOM 0 HD1 TYR B 22 7.044 11.592 0.756 1.00 4.86 H new ATOM 0 HD2 TYR B 22 2.978 11.594 2.086 1.00 4.57 H new ATOM 0 HE1 TYR B 22 7.292 13.930 1.514 1.00 5.32 H new ATOM 0 HE2 TYR B 22 3.223 13.934 2.838 1.00 5.05 H new ATOM 0 HH TYR B 22 4.564 15.664 3.030 1.00 5.95 H new ATOM 1563 N PHE B 23 5.607 10.237 4.014 1.00 2.53 N ATOM 1564 CA PHE B 23 5.255 10.259 5.381 1.00 3.15 C ATOM 1565 C PHE B 23 3.868 10.681 5.585 1.00 3.06 C ATOM 1566 O PHE B 23 3.631 11.707 6.259 1.00 3.59 O ATOM 1567 CB PHE B 23 6.172 11.278 6.059 1.00 3.86 C ATOM 1568 CG PHE B 23 7.563 10.900 5.829 1.00 4.36 C ATOM 1569 CD1 PHE B 23 8.109 11.039 4.558 1.00 4.54 C ATOM 1570 CD2 PHE B 23 8.332 10.377 6.861 1.00 5.13 C ATOM 1571 CE1 PHE B 23 9.425 10.662 4.319 1.00 5.32 C ATOM 1572 CE2 PHE B 23 9.651 10.008 6.624 1.00 5.84 C ATOM 1573 CZ PHE B 23 10.197 10.148 5.354 1.00 6.77 C ATOM 0 H PHE B 23 6.093 11.074 3.693 1.00 2.53 H new ATOM 0 HA PHE B 23 5.360 9.255 5.793 1.00 3.15 H new ATOM 0 HB2 PHE B 23 5.983 12.275 5.662 1.00 3.86 H new ATOM 0 HB3 PHE B 23 5.965 11.316 7.129 1.00 3.86 H new ATOM 0 HD1 PHE B 23 7.509 11.441 3.755 1.00 4.54 H new ATOM 0 HD2 PHE B 23 7.906 10.257 7.846 1.00 5.13 H new ATOM 0 HE1 PHE B 23 9.847 10.768 3.331 1.00 5.32 H new ATOM 0 HE2 PHE B 23 10.253 9.612 7.429 1.00 5.84 H new ATOM 0 HZ PHE B 23 11.221 9.857 5.171 1.00 6.77 H new ATOM 1583 N ASP B 24 2.852 9.986 5.053 1.00 2.69 N ATOM 1584 CA ASP B 24 1.514 10.402 5.242 1.00 2.83 C ATOM 1585 C ASP B 24 0.723 9.296 5.774 1.00 2.45 C ATOM 1586 O ASP B 24 -0.039 8.678 5.002 1.00 2.75 O ATOM 1587 CB ASP B 24 0.925 10.841 3.901 1.00 3.32 C ATOM 1588 CG ASP B 24 -0.439 11.319 4.103 1.00 3.96 C ATOM 1589 OD1 ASP B 24 -0.660 12.261 4.895 1.00 4.25 O ATOM 1590 OD2 ASP B 24 -1.388 10.784 3.491 1.00 4.51 O ATOM 0 H ASP B 24 2.963 9.140 4.495 1.00 2.69 H new ATOM 0 HA ASP B 24 1.493 11.234 5.946 1.00 2.83 H new ATOM 0 HB2 ASP B 24 1.537 11.630 3.463 1.00 3.32 H new ATOM 0 HB3 ASP B 24 0.930 10.007 3.199 1.00 3.32 H new ATOM 1595 N ARG B 25 0.812 9.004 7.083 1.00 2.47 N ATOM 1596 CA ARG B 25 0.164 7.915 7.723 1.00 2.98 C ATOM 1597 C ARG B 25 0.923 6.689 7.487 1.00 2.30 C ATOM 1598 O ARG B 25 0.329 5.592 7.408 1.00 2.72 O ATOM 1599 CB ARG B 25 -1.273 7.676 7.241 1.00 4.08 C ATOM 1600 CG ARG B 25 -2.154 8.902 7.492 1.00 4.68 C ATOM 1601 CD ARG B 25 -2.478 9.002 8.982 1.00 5.32 C ATOM 1602 NE ARG B 25 -3.370 10.072 9.194 1.00 5.75 N ATOM 1603 CZ ARG B 25 -4.372 9.947 10.076 1.00 6.57 C ATOM 1604 NH1 ARG B 25 -4.548 8.794 10.736 1.00 7.03 N ATOM 1605 NH2 ARG B 25 -5.202 10.975 10.294 1.00 7.21 N ATOM 0 H ARG B 25 1.370 9.564 7.727 1.00 2.47 H new ATOM 0 HA ARG B 25 0.119 8.175 8.781 1.00 2.98 H new ATOM 0 HB2 ARG B 25 -1.268 7.441 6.177 1.00 4.08 H new ATOM 0 HB3 ARG B 25 -1.693 6.812 7.756 1.00 4.08 H new ATOM 0 HG2 ARG B 25 -1.642 9.805 7.159 1.00 4.68 H new ATOM 0 HG3 ARG B 25 -3.075 8.826 6.913 1.00 4.68 H new ATOM 0 HD2 ARG B 25 -2.920 8.070 9.333 1.00 5.32 H new ATOM 0 HD3 ARG B 25 -1.564 9.157 9.555 1.00 5.32 H new ATOM 0 HE ARG B 25 -3.253 10.943 8.676 1.00 5.75 H new ATOM 0 HH11 ARG B 25 -3.919 8.009 10.568 1.00 7.03 H new ATOM 0 HH12 ARG B 25 -5.311 8.702 11.407 1.00 7.03 H new ATOM 0 HH21 ARG B 25 -5.071 11.852 9.789 1.00 7.21 H new ATOM 0 HH22 ARG B 25 -5.965 10.881 10.965 1.00 7.21 H new ATOM 1619 N ARG B 26 2.258 6.748 7.382 1.00 1.75 N ATOM 1620 CA ARG B 26 3.034 5.582 7.202 1.00 1.34 C ATOM 1621 C ARG B 26 4.445 5.940 7.331 1.00 1.19 C ATOM 1622 O ARG B 26 4.799 7.105 7.050 1.00 2.05 O ATOM 1623 CB ARG B 26 2.800 4.910 5.846 1.00 2.02 C ATOM 1624 CG ARG B 26 3.116 5.885 4.714 1.00 2.50 C ATOM 1625 CD ARG B 26 1.825 6.308 4.011 1.00 2.91 C ATOM 1626 NE ARG B 26 2.153 7.172 2.945 1.00 3.64 N ATOM 1627 CZ ARG B 26 1.215 7.585 2.080 1.00 4.57 C ATOM 1628 NH1 ARG B 26 -0.066 7.222 2.222 1.00 5.01 N ATOM 1629 NH2 ARG B 26 1.558 8.364 1.045 1.00 5.37 N ATOM 0 H ARG B 26 2.797 7.613 7.423 1.00 1.75 H new ATOM 0 HA ARG B 26 2.734 4.863 7.964 1.00 1.34 H new ATOM 0 HB2 ARG B 26 3.428 4.023 5.758 1.00 2.02 H new ATOM 0 HB3 ARG B 26 1.765 4.577 5.771 1.00 2.02 H new ATOM 0 HG2 ARG B 26 3.628 6.762 5.111 1.00 2.50 H new ATOM 0 HG3 ARG B 26 3.793 5.417 3.999 1.00 2.50 H new ATOM 0 HD2 ARG B 26 1.293 5.433 3.638 1.00 2.91 H new ATOM 0 HD3 ARG B 26 1.159 6.810 4.713 1.00 2.91 H new ATOM 0 HE ARG B 26 3.116 7.487 2.831 1.00 3.64 H new ATOM 0 HH11 ARG B 26 -0.343 6.621 2.998 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -0.765 7.546 1.554 1.00 5.01 H new ATOM 0 HH21 ARG B 26 2.531 8.642 0.916 1.00 5.37 H new ATOM 0 HH22 ARG B 26 0.846 8.679 0.386 1.00 5.37 H new ATOM 1643 N LEU B 27 5.331 5.034 7.774 1.00 0.90 N ATOM 1644 CA LEU B 27 6.719 5.301 7.909 1.00 0.73 C ATOM 1645 C LEU B 27 7.032 6.122 9.082 1.00 0.77 C ATOM 1646 O LEU B 27 8.221 6.192 9.458 1.00 1.03 O ATOM 1647 CB LEU B 27 7.260 5.984 6.645 1.00 0.72 C ATOM 1648 CG LEU B 27 8.792 5.938 6.581 1.00 0.80 C ATOM 1649 CD1 LEU B 27 9.411 6.708 7.746 1.00 1.23 C ATOM 1650 CD2 LEU B 27 9.281 4.491 6.619 1.00 0.87 C ATOM 0 H LEU B 27 5.069 4.086 8.046 1.00 0.90 H new ATOM 0 HA LEU B 27 7.205 4.336 8.049 1.00 0.73 H new ATOM 0 HB2 LEU B 27 6.845 5.496 5.763 1.00 0.72 H new ATOM 0 HB3 LEU B 27 6.927 7.022 6.622 1.00 0.72 H new ATOM 0 HG LEU B 27 9.101 6.404 5.645 1.00 0.80 H new ATOM 0 HD11 LEU B 27 10.498 6.660 7.677 1.00 1.23 H new ATOM 0 HD12 LEU B 27 9.090 7.749 7.705 1.00 1.23 H new ATOM 0 HD13 LEU B 27 9.087 6.265 8.688 1.00 1.23 H new ATOM 0 HD21 LEU B 27 10.370 4.474 6.573 1.00 0.87 H new ATOM 0 HD22 LEU B 27 8.949 4.019 7.544 1.00 0.87 H new ATOM 0 HD23 LEU B 27 8.873 3.947 5.767 1.00 0.87 H new ATOM 1662 N THR B 28 6.099 6.785 9.780 1.00 0.82 N ATOM 1663 CA THR B 28 6.492 7.546 10.900 1.00 0.93 C ATOM 1664 C THR B 28 6.307 6.703 12.074 1.00 0.87 C ATOM 1665 O THR B 28 5.650 5.653 11.935 1.00 0.80 O ATOM 1666 CB THR B 28 5.616 8.795 11.000 1.00 1.12 C ATOM 1667 OG1 THR B 28 4.284 8.393 11.277 1.00 1.30 O ATOM 1668 CG2 THR B 28 5.657 9.549 9.669 1.00 1.25 C ATOM 0 H THR B 28 5.101 6.791 9.571 1.00 0.82 H new ATOM 0 HA THR B 28 7.531 7.866 10.819 1.00 0.93 H new ATOM 0 HB THR B 28 5.980 9.447 11.794 1.00 1.12 H new ATOM 0 HG1 THR B 28 3.711 9.185 11.345 1.00 1.30 H new ATOM 0 HG21 THR B 28 5.033 10.440 9.736 1.00 1.25 H new ATOM 0 HG22 THR B 28 6.684 9.840 9.447 1.00 1.25 H new ATOM 0 HG23 THR B 28 5.283 8.904 8.874 1.00 1.25 H new ATOM 1676 N PRO B 29 6.855 7.003 13.262 1.00 0.93 N ATOM 1677 CA PRO B 29 6.720 6.172 14.400 1.00 0.90 C ATOM 1678 C PRO B 29 5.378 5.763 14.683 1.00 0.82 C ATOM 1679 O PRO B 29 5.156 4.597 14.970 1.00 0.81 O ATOM 1680 CB PRO B 29 7.258 7.045 15.533 1.00 1.01 C ATOM 1681 CG PRO B 29 8.300 7.908 14.826 1.00 1.10 C ATOM 1682 CD PRO B 29 7.663 8.163 13.458 1.00 1.06 C ATOM 0 HA PRO B 29 7.249 5.230 14.254 1.00 0.90 H new ATOM 0 HB2 PRO B 29 6.472 7.649 15.987 1.00 1.01 H new ATOM 0 HB3 PRO B 29 7.701 6.447 16.330 1.00 1.01 H new ATOM 0 HG2 PRO B 29 8.487 8.837 15.364 1.00 1.10 H new ATOM 0 HG3 PRO B 29 9.257 7.394 14.736 1.00 1.10 H new ATOM 0 HD2 PRO B 29 7.067 9.076 13.453 1.00 1.06 H new ATOM 0 HD3 PRO B 29 8.415 8.269 12.676 1.00 1.06 H new ATOM 1690 N GLU B 30 4.391 6.623 14.632 1.00 0.82 N ATOM 1691 CA GLU B 30 3.077 6.221 14.955 1.00 0.81 C ATOM 1692 C GLU B 30 2.551 5.254 13.992 1.00 0.79 C ATOM 1693 O GLU B 30 1.794 4.345 14.397 1.00 0.84 O ATOM 1694 CB GLU B 30 2.160 7.443 15.019 1.00 0.88 C ATOM 1695 CG GLU B 30 0.809 7.013 15.598 1.00 1.45 C ATOM 1696 CD GLU B 30 -0.038 8.182 15.814 1.00 2.08 C ATOM 1697 OE1 GLU B 30 0.362 9.118 16.540 1.00 2.61 O ATOM 1698 OE2 GLU B 30 -1.173 8.239 15.293 1.00 2.70 O ATOM 0 H GLU B 30 4.490 7.603 14.368 1.00 0.82 H new ATOM 0 HA GLU B 30 3.110 5.734 15.929 1.00 0.81 H new ATOM 0 HB2 GLU B 30 2.607 8.219 15.640 1.00 0.88 H new ATOM 0 HB3 GLU B 30 2.027 7.868 14.024 1.00 0.88 H new ATOM 0 HG2 GLU B 30 0.317 6.318 14.917 1.00 1.45 H new ATOM 0 HG3 GLU B 30 0.959 6.484 16.539 1.00 1.45 H new ATOM 1705 N TRP B 31 2.849 5.326 12.686 1.00 0.77 N ATOM 1706 CA TRP B 31 2.294 4.372 11.807 1.00 0.78 C ATOM 1707 C TRP B 31 3.320 3.500 11.240 1.00 0.69 C ATOM 1708 O TRP B 31 3.038 2.783 10.257 1.00 0.70 O ATOM 1709 CB TRP B 31 1.551 5.087 10.678 1.00 0.92 C ATOM 1710 CG TRP B 31 0.378 5.760 11.227 1.00 1.37 C ATOM 1711 CD1 TRP B 31 -0.837 5.172 11.568 1.00 2.28 C ATOM 1712 CD2 TRP B 31 0.231 7.115 11.477 1.00 1.67 C ATOM 1713 NE1 TRP B 31 -1.673 6.125 12.018 1.00 2.57 N ATOM 1714 CE2 TRP B 31 -1.042 7.307 11.969 1.00 2.12 C ATOM 1715 CE3 TRP B 31 1.117 8.165 11.305 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 -1.490 8.571 12.321 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 0.678 9.440 11.658 1.00 3.12 C ATOM 1718 CH2 TRP B 31 -0.609 9.639 12.162 1.00 3.02 C ATOM 0 H TRP B 31 3.456 6.024 12.256 1.00 0.77 H new ATOM 0 HA TRP B 31 1.603 3.752 12.378 1.00 0.78 H new ATOM 0 HB2 TRP B 31 2.208 5.811 10.195 1.00 0.92 H new ATOM 0 HB3 TRP B 31 1.250 4.371 9.914 1.00 0.92 H new ATOM 0 HD1 TRP B 31 -1.071 4.121 11.485 1.00 2.28 H new ATOM 0 HE1 TRP B 31 -2.628 5.974 12.343 1.00 2.57 H new ATOM 0 HE3 TRP B 31 2.110 8.002 10.912 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 -2.488 8.723 12.705 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 1.341 10.284 11.540 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -0.926 10.635 12.433 1.00 3.02 H new ATOM 1729 N ARG B 32 4.547 3.417 11.770 1.00 0.68 N ATOM 1730 CA ARG B 32 5.466 2.496 11.225 1.00 0.61 C ATOM 1731 C ARG B 32 5.058 1.161 11.655 1.00 0.61 C ATOM 1732 O ARG B 32 5.014 0.212 10.841 1.00 0.60 O ATOM 1733 CB ARG B 32 6.885 2.829 11.688 1.00 0.66 C ATOM 1734 CG ARG B 32 7.886 2.099 10.792 1.00 0.89 C ATOM 1735 CD ARG B 32 9.292 2.624 11.088 1.00 0.80 C ATOM 1736 NE ARG B 32 9.307 4.028 10.944 1.00 0.83 N ATOM 1737 CZ ARG B 32 9.870 4.795 11.886 1.00 0.85 C ATOM 1738 NH1 ARG B 32 10.436 4.239 12.966 1.00 0.82 N ATOM 1739 NH2 ARG B 32 9.861 6.126 11.735 1.00 0.97 N ATOM 0 H ARG B 32 4.890 3.973 12.553 1.00 0.68 H new ATOM 0 HA ARG B 32 5.469 2.544 10.136 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.053 3.905 11.642 1.00 0.66 H new ATOM 0 HB3 ARG B 32 7.022 2.530 12.727 1.00 0.66 H new ATOM 0 HG2 ARG B 32 7.839 1.025 10.972 1.00 0.89 H new ATOM 0 HG3 ARG B 32 7.638 2.258 9.743 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.590 2.348 12.099 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.013 2.170 10.408 1.00 0.80 H new ATOM 0 HE ARG B 32 8.888 4.459 10.120 1.00 0.83 H new ATOM 0 HH11 ARG B 32 10.440 3.225 13.075 1.00 0.82 H new ATOM 0 HH12 ARG B 32 10.863 4.830 13.679 1.00 0.82 H new ATOM 0 HH21 ARG B 32 9.429 6.543 10.910 1.00 0.97 H new ATOM 0 HH22 ARG B 32 10.286 6.723 12.445 1.00 0.97 H new ATOM 1753 N ARG B 33 4.696 0.970 12.933 1.00 0.66 N ATOM 1754 CA ARG B 33 4.230 -0.292 13.361 1.00 0.69 C ATOM 1755 C ARG B 33 2.920 -0.581 12.776 1.00 0.71 C ATOM 1756 O ARG B 33 2.519 -1.763 12.713 1.00 0.73 O ATOM 1757 CB ARG B 33 4.133 -0.322 14.887 1.00 0.79 C ATOM 1758 CG ARG B 33 3.086 0.691 15.357 1.00 1.15 C ATOM 1759 CD ARG B 33 2.999 0.660 16.885 1.00 1.14 C ATOM 1760 NE ARG B 33 4.239 1.041 17.436 1.00 1.66 N ATOM 1761 CZ ARG B 33 4.432 0.975 18.760 1.00 2.23 C ATOM 1762 NH1 ARG B 33 3.449 0.541 19.561 1.00 2.27 N ATOM 1763 NH2 ARG B 33 5.609 1.342 19.285 1.00 3.10 N ATOM 0 H ARG B 33 4.728 1.687 13.658 1.00 0.66 H new ATOM 0 HA ARG B 33 4.937 -1.053 13.029 1.00 0.69 H new ATOM 0 HB2 ARG B 33 3.862 -1.323 15.224 1.00 0.79 H new ATOM 0 HB3 ARG B 33 5.102 -0.089 15.327 1.00 0.79 H new ATOM 0 HG2 ARG B 33 3.354 1.691 15.017 1.00 1.15 H new ATOM 0 HG3 ARG B 33 2.115 0.456 14.922 1.00 1.15 H new ATOM 0 HD2 ARG B 33 2.214 1.334 17.229 1.00 1.14 H new ATOM 0 HD3 ARG B 33 2.731 -0.341 17.224 1.00 1.14 H new ATOM 0 HE ARG B 33 4.989 1.367 16.827 1.00 1.66 H new ATOM 0 HH11 ARG B 33 2.553 0.261 19.163 1.00 2.27 H new ATOM 0 HH12 ARG B 33 3.597 0.491 20.569 1.00 2.27 H new ATOM 0 HH21 ARG B 33 6.358 1.672 18.676 1.00 3.10 H new ATOM 0 HH22 ARG B 33 5.756 1.292 20.293 1.00 3.10 H new ATOM 1777 N TYR B 34 2.155 0.417 12.308 1.00 0.73 N ATOM 1778 CA TYR B 34 0.918 0.179 11.671 1.00 0.76 C ATOM 1779 C TYR B 34 1.161 -0.561 10.436 1.00 0.64 C ATOM 1780 O TYR B 34 0.383 -1.479 10.100 1.00 0.67 O ATOM 1781 CB TYR B 34 0.257 1.527 11.381 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.937 1.375 10.559 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -2.056 0.699 11.031 1.00 1.23 C ATOM 1784 CD2 TYR B 34 -0.938 1.919 9.280 1.00 1.37 C ATOM 1785 CE1 TYR B 34 -3.178 0.570 10.219 1.00 1.18 C ATOM 1786 CE2 TYR B 34 -2.060 1.795 8.472 1.00 1.64 C ATOM 1787 CZ TYR B 34 -3.177 1.117 8.940 1.00 1.18 C ATOM 1788 OH TYR B 34 -4.257 0.987 8.144 1.00 1.42 O ATOM 0 H TYR B 34 2.407 1.403 12.377 1.00 0.73 H new ATOM 0 HA TYR B 34 0.256 -0.411 12.305 1.00 0.76 H new ATOM 0 HB2 TYR B 34 -0.007 2.013 12.320 1.00 0.83 H new ATOM 0 HB3 TYR B 34 0.968 2.179 10.874 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -2.054 0.275 12.024 1.00 1.23 H new ATOM 0 HD2 TYR B 34 -0.065 2.439 8.914 1.00 1.37 H new ATOM 0 HE1 TYR B 34 -4.050 0.045 10.581 1.00 1.18 H new ATOM 0 HE2 TYR B 34 -2.064 2.225 7.481 1.00 1.64 H new ATOM 0 HH TYR B 34 -5.034 0.734 8.685 1.00 1.42 H new ATOM 1798 N LEU B 35 2.222 -0.251 9.676 1.00 0.55 N ATOM 1799 CA LEU B 35 2.516 -0.992 8.512 1.00 0.49 C ATOM 1800 C LEU B 35 2.966 -2.331 8.883 1.00 0.45 C ATOM 1801 O LEU B 35 2.437 -3.332 8.353 1.00 0.46 O ATOM 1802 CB LEU B 35 3.663 -0.320 7.757 1.00 0.57 C ATOM 1803 CG LEU B 35 3.103 0.619 6.691 1.00 0.66 C ATOM 1804 CD1 LEU B 35 2.164 1.640 7.333 1.00 1.03 C ATOM 1805 CD2 LEU B 35 4.253 1.342 5.988 1.00 1.32 C ATOM 0 H LEU B 35 2.870 0.512 9.873 1.00 0.55 H new ATOM 0 HA LEU B 35 1.619 -1.043 7.895 1.00 0.49 H new ATOM 0 HB2 LEU B 35 4.290 0.238 8.452 1.00 0.57 H new ATOM 0 HB3 LEU B 35 4.296 -1.076 7.292 1.00 0.57 H new ATOM 0 HG LEU B 35 2.543 0.035 5.960 1.00 0.66 H new ATOM 0 HD11 LEU B 35 1.770 2.305 6.565 1.00 1.03 H new ATOM 0 HD12 LEU B 35 1.340 1.120 7.821 1.00 1.03 H new ATOM 0 HD13 LEU B 35 2.712 2.224 8.072 1.00 1.03 H new ATOM 0 HD21 LEU B 35 3.851 2.012 5.228 1.00 1.32 H new ATOM 0 HD22 LEU B 35 4.820 1.920 6.718 1.00 1.32 H new ATOM 0 HD23 LEU B 35 4.909 0.610 5.517 1.00 1.32 H new ATOM 1817 N SER B 36 3.934 -2.498 9.798 1.00 0.46 N ATOM 1818 CA SER B 36 4.405 -3.794 10.106 1.00 0.48 C ATOM 1819 C SER B 36 3.392 -4.631 10.749 1.00 0.59 C ATOM 1820 O SER B 36 3.614 -5.855 10.873 1.00 0.66 O ATOM 1821 CB SER B 36 5.613 -3.696 11.039 1.00 0.52 C ATOM 1822 OG SER B 36 5.221 -3.177 12.298 1.00 1.35 O ATOM 0 H SER B 36 4.381 -1.741 10.315 1.00 0.46 H new ATOM 0 HA SER B 36 4.674 -4.260 9.158 1.00 0.48 H new ATOM 0 HB2 SER B 36 6.062 -4.681 11.168 1.00 0.52 H new ATOM 0 HB3 SER B 36 6.374 -3.054 10.594 1.00 0.52 H new ATOM 0 HG SER B 36 4.309 -2.824 12.237 1.00 1.35 H new ATOM 1828 N GLN B 37 2.254 -4.107 11.228 1.00 0.67 N ATOM 1829 CA GLN B 37 1.272 -4.924 11.826 1.00 0.80 C ATOM 1830 C GLN B 37 0.698 -5.847 10.849 1.00 0.75 C ATOM 1831 O GLN B 37 0.519 -7.046 11.157 1.00 0.86 O ATOM 1832 CB GLN B 37 0.148 -4.032 12.356 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.915 -4.901 13.030 1.00 1.09 C ATOM 1834 CD GLN B 37 -1.977 -4.048 13.558 1.00 1.99 C ATOM 1835 OE1 GLN B 37 -1.721 -3.214 14.453 1.00 2.71 O ATOM 1836 NE2 GLN B 37 -3.228 -4.168 13.092 1.00 2.65 N ATOM 0 H GLN B 37 2.021 -3.114 11.197 1.00 0.67 H new ATOM 0 HA GLN B 37 1.737 -5.496 12.629 1.00 0.80 H new ATOM 0 HB2 GLN B 37 0.547 -3.309 13.067 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.296 -3.463 11.539 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.327 -5.612 12.314 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.467 -5.483 13.835 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -3.437 -4.849 12.362 1.00 2.65 H new ATOM 0 HE22 GLN B 37 -3.971 -3.579 13.468 1.00 2.65 H new ATOM 1845 N ARG B 38 0.345 -5.411 9.631 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.261 -6.299 8.717 1.00 0.68 C ATOM 1847 C ARG B 38 0.561 -6.483 7.524 1.00 0.59 C ATOM 1848 O ARG B 38 0.139 -7.217 6.605 1.00 0.65 O ATOM 1849 CB ARG B 38 -1.614 -5.721 8.299 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.526 -5.629 9.524 1.00 1.20 C ATOM 1851 CD ARG B 38 -3.897 -5.094 9.106 1.00 1.55 C ATOM 1852 NE ARG B 38 -3.745 -3.809 8.545 1.00 1.77 N ATOM 1853 CZ ARG B 38 -4.802 -3.176 8.018 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -6.006 -3.763 8.014 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -4.655 -1.951 7.494 1.00 3.07 N ATOM 0 H ARG B 38 0.479 -4.459 9.290 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.379 -7.267 9.203 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -1.479 -4.734 7.857 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.072 -6.352 7.537 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.633 -6.611 9.985 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -2.081 -4.973 10.272 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -4.358 -5.767 8.383 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -4.562 -5.050 9.969 1.00 1.55 H new ATOM 0 HE ARG B 38 -2.829 -3.361 8.540 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -6.120 -4.695 8.413 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -6.808 -3.278 7.612 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -3.739 -1.502 7.497 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -5.459 -1.468 7.093 1.00 3.07 H new ATOM 1869 N LEU B 39 1.749 -5.876 7.391 1.00 0.55 N ATOM 1870 CA LEU B 39 2.493 -6.065 6.208 1.00 0.47 C ATOM 1871 C LEU B 39 3.252 -7.315 6.283 1.00 0.51 C ATOM 1872 O LEU B 39 3.220 -8.114 5.322 1.00 0.53 O ATOM 1873 CB LEU B 39 3.412 -4.863 5.995 1.00 0.36 C ATOM 1874 CG LEU B 39 4.055 -4.955 4.613 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.956 -4.973 3.549 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.928 -3.720 4.394 1.00 0.24 C ATOM 0 H LEU B 39 2.180 -5.270 8.089 1.00 0.55 H new ATOM 0 HA LEU B 39 1.820 -6.141 5.354 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.844 -3.937 6.083 1.00 0.36 H new ATOM 0 HB3 LEU B 39 4.182 -4.839 6.766 1.00 0.36 H new ATOM 0 HG LEU B 39 4.656 -5.861 4.543 1.00 0.30 H new ATOM 0 HD11 LEU B 39 3.409 -5.039 2.560 1.00 0.34 H new ATOM 0 HD12 LEU B 39 2.308 -5.835 3.710 1.00 0.34 H new ATOM 0 HD13 LEU B 39 2.367 -4.058 3.619 1.00 0.34 H new ATOM 0 HD21 LEU B 39 5.393 -3.773 3.410 1.00 0.24 H new ATOM 0 HD22 LEU B 39 4.312 -2.823 4.456 1.00 0.24 H new ATOM 0 HD23 LEU B 39 5.702 -3.681 5.160 1.00 0.24 H new ATOM 1888 N GLY B 40 3.951 -7.631 7.384 1.00 0.56 N ATOM 1889 CA GLY B 40 4.619 -8.873 7.468 1.00 0.64 C ATOM 1890 C GLY B 40 6.037 -8.713 7.785 1.00 0.60 C ATOM 1891 O GLY B 40 6.717 -9.726 8.055 1.00 0.68 O ATOM 0 H GLY B 40 4.049 -7.030 8.202 1.00 0.56 H new ATOM 0 HA2 GLY B 40 4.144 -9.489 8.232 1.00 0.64 H new ATOM 0 HA3 GLY B 40 4.517 -9.404 6.522 1.00 0.64 H new ATOM 1895 N LEU B 41 6.619 -7.507 7.797 1.00 0.54 N ATOM 1896 CA LEU B 41 7.979 -7.377 8.159 1.00 0.54 C ATOM 1897 C LEU B 41 8.084 -6.395 9.233 1.00 0.50 C ATOM 1898 O LEU B 41 7.052 -5.796 9.598 1.00 0.59 O ATOM 1899 CB LEU B 41 8.865 -6.985 6.974 1.00 0.56 C ATOM 1900 CG LEU B 41 8.262 -5.832 6.175 1.00 0.59 C ATOM 1901 CD1 LEU B 41 7.235 -6.395 5.197 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.566 -4.850 7.114 1.00 1.25 C ATOM 0 H LEU B 41 6.150 -6.634 7.558 1.00 0.54 H new ATOM 0 HA LEU B 41 8.340 -8.347 8.500 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.852 -6.699 7.337 1.00 0.56 H new ATOM 0 HB3 LEU B 41 9.002 -7.847 6.321 1.00 0.56 H new ATOM 0 HG LEU B 41 9.055 -5.312 5.637 1.00 0.59 H new ATOM 0 HD11 LEU B 41 6.797 -5.580 4.620 1.00 0.60 H new ATOM 0 HD12 LEU B 41 7.723 -7.097 4.521 1.00 0.60 H new ATOM 0 HD13 LEU B 41 6.450 -6.911 5.750 1.00 0.60 H new ATOM 0 HD21 LEU B 41 7.140 -4.032 6.534 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.771 -5.364 7.654 1.00 1.25 H new ATOM 0 HD23 LEU B 41 8.290 -4.452 7.825 1.00 1.25 H new ATOM 1914 N ASN B 42 9.252 -6.172 9.856 1.00 0.51 N ATOM 1915 CA ASN B 42 9.329 -5.291 10.959 1.00 0.53 C ATOM 1916 C ASN B 42 9.433 -3.887 10.568 1.00 0.44 C ATOM 1917 O ASN B 42 9.620 -3.566 9.375 1.00 0.38 O ATOM 1918 CB ASN B 42 10.558 -5.637 11.802 1.00 0.66 C ATOM 1919 CG ASN B 42 10.450 -7.005 12.300 1.00 0.81 C ATOM 1920 OD1 ASN B 42 10.483 -7.967 11.503 1.00 1.11 O ATOM 1921 ND2 ASN B 42 10.341 -7.230 13.617 1.00 1.45 N ATOM 0 H ASN B 42 10.137 -6.604 9.591 1.00 0.51 H new ATOM 0 HA ASN B 42 8.403 -5.417 11.520 1.00 0.53 H new ATOM 0 HB2 ASN B 42 11.462 -5.529 11.203 1.00 0.66 H new ATOM 0 HB3 ASN B 42 10.644 -4.942 12.638 1.00 0.66 H new ATOM 0 HD21 ASN B 42 10.285 -8.186 13.968 1.00 1.45 H new ATOM 0 HD22 ASN B 42 10.314 -6.445 14.268 1.00 1.45 H new ATOM 1928 N GLU B 43 9.332 -2.954 11.529 1.00 0.47 N ATOM 1929 CA GLU B 43 9.404 -1.566 11.265 1.00 0.45 C ATOM 1930 C GLU B 43 10.615 -1.222 10.523 1.00 0.40 C ATOM 1931 O GLU B 43 10.557 -0.430 9.557 1.00 0.38 O ATOM 1932 CB GLU B 43 9.455 -0.808 12.595 1.00 0.56 C ATOM 1933 CG GLU B 43 8.113 -0.863 13.331 1.00 0.67 C ATOM 1934 CD GLU B 43 7.964 -2.130 14.039 1.00 0.87 C ATOM 1935 OE1 GLU B 43 7.924 -3.204 13.403 1.00 1.31 O ATOM 1936 OE2 GLU B 43 7.867 -2.140 15.285 1.00 1.77 O ATOM 0 H GLU B 43 9.197 -3.179 12.515 1.00 0.47 H new ATOM 0 HA GLU B 43 8.529 -1.295 10.675 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.234 -1.234 13.227 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.727 0.231 12.411 1.00 0.56 H new ATOM 0 HG2 GLU B 43 8.046 -0.036 14.038 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.297 -0.741 12.619 1.00 0.67 H new ATOM 1943 N GLU B 44 11.801 -1.732 10.884 1.00 0.46 N ATOM 1944 CA GLU B 44 12.967 -1.371 10.178 1.00 0.46 C ATOM 1945 C GLU B 44 12.930 -1.813 8.784 1.00 0.40 C ATOM 1946 O GLU B 44 13.669 -1.250 7.949 1.00 0.43 O ATOM 1947 CB GLU B 44 14.175 -1.993 10.881 1.00 0.60 C ATOM 1948 CG GLU B 44 14.065 -3.519 10.832 1.00 1.05 C ATOM 1949 CD GLU B 44 15.189 -4.109 11.553 1.00 1.49 C ATOM 1950 OE1 GLU B 44 15.357 -3.855 12.765 1.00 1.77 O ATOM 1951 OE2 GLU B 44 15.985 -4.868 10.958 1.00 2.32 O ATOM 0 H GLU B 44 11.944 -2.385 11.655 1.00 0.46 H new ATOM 0 HA GLU B 44 13.038 -0.283 10.170 1.00 0.46 H new ATOM 0 HB2 GLU B 44 15.097 -1.669 10.398 1.00 0.60 H new ATOM 0 HB3 GLU B 44 14.221 -1.654 11.916 1.00 0.60 H new ATOM 0 HG2 GLU B 44 13.124 -3.841 11.277 1.00 1.05 H new ATOM 0 HG3 GLU B 44 14.062 -3.862 9.797 1.00 1.05 H new ATOM 1958 N GLN B 45 12.102 -2.782 8.362 1.00 0.40 N ATOM 1959 CA GLN B 45 12.105 -3.166 7.004 1.00 0.41 C ATOM 1960 C GLN B 45 11.279 -2.238 6.233 1.00 0.35 C ATOM 1961 O GLN B 45 11.279 -2.290 4.983 1.00 0.41 O ATOM 1962 CB GLN B 45 11.555 -4.586 6.878 1.00 0.51 C ATOM 1963 CG GLN B 45 12.450 -5.554 7.655 1.00 0.60 C ATOM 1964 CD GLN B 45 13.791 -5.565 7.078 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.771 -5.199 7.761 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.972 -5.971 5.814 1.00 0.97 N ATOM 0 H GLN B 45 11.444 -3.287 8.956 1.00 0.40 H new ATOM 0 HA GLN B 45 13.124 -3.141 6.617 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.536 -4.628 7.263 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.511 -4.878 5.829 1.00 0.51 H new ATOM 0 HG2 GLN B 45 12.498 -5.257 8.703 1.00 0.60 H new ATOM 0 HG3 GLN B 45 12.025 -6.557 7.628 1.00 0.60 H new ATOM 0 HE21 GLN B 45 13.173 -6.270 5.255 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.909 -5.981 5.411 1.00 0.97 H new ATOM 1975 N ILE B 46 10.534 -1.326 6.874 1.00 0.29 N ATOM 1976 CA ILE B 46 9.778 -0.373 6.167 1.00 0.30 C ATOM 1977 C ILE B 46 10.730 0.646 5.737 1.00 0.39 C ATOM 1978 O ILE B 46 10.760 1.042 4.552 1.00 0.52 O ATOM 1979 CB ILE B 46 8.778 0.291 7.119 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.860 -0.746 7.769 1.00 0.36 C ATOM 1981 CG2 ILE B 46 7.916 1.273 6.324 1.00 0.45 C ATOM 1982 CD1 ILE B 46 7.023 -1.439 6.696 1.00 0.38 C ATOM 0 H ILE B 46 10.462 -1.257 7.889 1.00 0.29 H new ATOM 0 HA ILE B 46 9.240 -0.828 5.336 1.00 0.30 H new ATOM 0 HB ILE B 46 9.336 0.804 7.902 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.454 -1.482 8.312 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.208 -0.263 8.497 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.200 1.752 6.992 1.00 0.45 H new ATOM 0 HG22 ILE B 46 8.553 2.032 5.871 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.379 0.736 5.542 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.371 -2.177 7.163 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.417 -0.699 6.173 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.683 -1.937 5.985 1.00 0.38 H new ATOM 1994 N GLU B 47 11.593 1.120 6.648 1.00 0.38 N ATOM 1995 CA GLU B 47 12.549 2.102 6.315 1.00 0.47 C ATOM 1996 C GLU B 47 13.501 1.602 5.324 1.00 0.51 C ATOM 1997 O GLU B 47 14.103 2.420 4.596 1.00 0.62 O ATOM 1998 CB GLU B 47 13.319 2.493 7.578 1.00 0.50 C ATOM 1999 CG GLU B 47 12.374 3.174 8.569 1.00 0.51 C ATOM 2000 CD GLU B 47 13.119 3.535 9.772 1.00 0.55 C ATOM 2001 OE1 GLU B 47 14.109 4.294 9.688 1.00 1.19 O ATOM 2002 OE2 GLU B 47 12.773 3.081 10.884 1.00 1.11 O ATOM 0 H GLU B 47 11.621 0.815 7.621 1.00 0.38 H new ATOM 0 HA GLU B 47 12.026 2.961 5.894 1.00 0.47 H new ATOM 0 HB2 GLU B 47 13.763 1.608 8.034 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.139 3.165 7.322 1.00 0.50 H new ATOM 0 HG2 GLU B 47 11.935 4.064 8.118 1.00 0.51 H new ATOM 0 HG3 GLU B 47 11.551 2.506 8.823 1.00 0.51 H new ATOM 2009 N ARG B 48 13.743 0.290 5.175 1.00 0.48 N ATOM 2010 CA ARG B 48 14.656 -0.135 4.186 1.00 0.55 C ATOM 2011 C ARG B 48 14.048 -0.074 2.863 1.00 0.60 C ATOM 2012 O ARG B 48 14.743 0.353 1.918 1.00 0.68 O ATOM 2013 CB ARG B 48 15.129 -1.568 4.444 1.00 0.56 C ATOM 2014 CG ARG B 48 16.492 -1.533 5.141 1.00 0.62 C ATOM 2015 CD ARG B 48 16.368 -0.914 6.532 1.00 0.60 C ATOM 2016 NE ARG B 48 17.626 -0.921 7.169 1.00 0.71 N ATOM 2017 CZ ARG B 48 17.739 -0.455 8.420 1.00 0.80 C ATOM 2018 NH1 ARG B 48 16.658 0.016 9.056 1.00 0.79 N ATOM 2019 NH2 ARG B 48 18.931 -0.458 9.032 1.00 0.94 N ATOM 0 H ARG B 48 13.315 -0.453 5.727 1.00 0.48 H new ATOM 0 HA ARG B 48 15.513 0.538 4.230 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.404 -2.096 5.063 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.203 -2.114 3.503 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.892 -2.544 5.221 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.198 -0.957 4.542 1.00 0.62 H new ATOM 0 HD2 ARG B 48 15.995 0.107 6.454 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.645 -1.473 7.126 1.00 0.60 H new ATOM 0 HE ARG B 48 18.446 -1.279 6.680 1.00 0.71 H new ATOM 0 HH11 ARG B 48 15.752 0.019 8.588 1.00 0.79 H new ATOM 0 HH12 ARG B 48 16.741 0.371 10.008 1.00 0.79 H new ATOM 0 HH21 ARG B 48 19.753 -0.815 8.545 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.016 -0.103 9.984 1.00 0.94 H new ATOM 2033 N TRP B 49 12.777 -0.433 2.633 1.00 0.56 N ATOM 2034 CA TRP B 49 12.271 -0.314 1.319 1.00 0.64 C ATOM 2035 C TRP B 49 12.264 1.090 0.908 1.00 0.69 C ATOM 2036 O TRP B 49 12.573 1.389 -0.265 1.00 0.81 O ATOM 2037 CB TRP B 49 10.869 -0.908 1.205 1.00 0.75 C ATOM 2038 CG TRP B 49 10.461 -0.807 -0.193 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.330 -0.181 -0.707 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.167 -1.278 -1.287 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.336 -0.298 -2.047 1.00 1.29 N ATOM 2042 CE2 TRP B 49 10.447 -0.954 -2.416 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.383 -1.938 -1.359 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 10.906 -1.287 -3.681 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 12.857 -2.276 -2.624 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.126 -1.955 -3.771 1.00 3.63 C ATOM 0 H TRP B 49 12.126 -0.792 3.331 1.00 0.56 H new ATOM 0 HA TRP B 49 12.925 -0.877 0.654 1.00 0.64 H new ATOM 0 HB2 TRP B 49 10.866 -1.948 1.531 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.172 -0.370 1.848 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.570 0.318 -0.124 1.00 0.90 H new ATOM 0 HE1 TRP B 49 8.616 0.054 -2.678 1.00 1.29 H new ATOM 0 HE3 TRP B 49 12.942 -2.181 -0.468 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 10.338 -1.038 -4.565 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 13.801 -2.792 -2.720 1.00 3.66 H new ATOM 0 HH2 TRP B 49 12.512 -2.229 -4.742 1.00 3.63 H new ATOM 2057 N PHE B 50 11.944 2.050 1.789 1.00 0.65 N ATOM 2058 CA PHE B 50 11.999 3.418 1.436 1.00 0.72 C ATOM 2059 C PHE B 50 13.367 3.792 1.076 1.00 0.78 C ATOM 2060 O PHE B 50 13.580 4.525 0.085 1.00 0.89 O ATOM 2061 CB PHE B 50 11.595 4.243 2.660 1.00 0.72 C ATOM 2062 CG PHE B 50 10.143 4.360 2.754 1.00 0.86 C ATOM 2063 CD1 PHE B 50 9.344 3.231 2.884 1.00 1.66 C ATOM 2064 CD2 PHE B 50 9.558 5.619 2.692 1.00 1.33 C ATOM 2065 CE1 PHE B 50 7.964 3.366 2.982 1.00 2.06 C ATOM 2066 CE2 PHE B 50 8.179 5.753 2.795 1.00 1.54 C ATOM 2067 CZ PHE B 50 7.380 4.626 2.942 1.00 1.68 C ATOM 0 H PHE B 50 11.647 1.871 2.748 1.00 0.65 H new ATOM 0 HA PHE B 50 11.334 3.600 0.591 1.00 0.72 H new ATOM 0 HB2 PHE B 50 11.985 3.775 3.564 1.00 0.72 H new ATOM 0 HB3 PHE B 50 12.040 5.236 2.597 1.00 0.72 H new ATOM 0 HD1 PHE B 50 9.794 2.250 2.909 1.00 1.66 H new ATOM 0 HD2 PHE B 50 10.177 6.495 2.564 1.00 1.33 H new ATOM 0 HE1 PHE B 50 7.344 2.488 3.090 1.00 2.06 H new ATOM 0 HE2 PHE B 50 7.728 6.734 2.761 1.00 1.54 H new ATOM 0 HZ PHE B 50 6.308 4.729 3.025 1.00 1.68 H new ATOM 2077 N ARG B 51 14.393 3.351 1.816 1.00 0.75 N ATOM 2078 CA ARG B 51 15.720 3.714 1.507 1.00 0.82 C ATOM 2079 C ARG B 51 16.131 3.174 0.211 1.00 0.87 C ATOM 2080 O ARG B 51 16.911 3.837 -0.506 1.00 0.99 O ATOM 2081 CB ARG B 51 16.648 3.160 2.588 1.00 0.80 C ATOM 2082 CG ARG B 51 18.074 3.636 2.314 1.00 0.78 C ATOM 2083 CD ARG B 51 18.102 5.164 2.388 1.00 1.15 C ATOM 2084 NE ARG B 51 19.415 5.630 2.177 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.650 6.947 2.096 1.00 1.92 C ATOM 2086 NH1 ARG B 51 18.637 7.817 2.213 1.00 2.22 N ATOM 2087 NH2 ARG B 51 20.897 7.395 1.899 1.00 2.46 N ATOM 0 H ARG B 51 14.296 2.742 2.628 1.00 0.75 H new ATOM 0 HA ARG B 51 15.778 4.802 1.463 1.00 0.82 H new ATOM 0 HB2 ARG B 51 16.322 3.496 3.572 1.00 0.80 H new ATOM 0 HB3 ARG B 51 16.610 2.071 2.594 1.00 0.80 H new ATOM 0 HG2 ARG B 51 18.762 3.209 3.044 1.00 0.78 H new ATOM 0 HG3 ARG B 51 18.403 3.299 1.331 1.00 0.78 H new ATOM 0 HD2 ARG B 51 17.432 5.585 1.638 1.00 1.15 H new ATOM 0 HD3 ARG B 51 17.741 5.496 3.361 1.00 1.15 H new ATOM 0 HE ARG B 51 20.185 4.967 2.086 1.00 1.48 H new ATOM 0 HH11 ARG B 51 17.687 7.477 2.364 1.00 2.22 H new ATOM 0 HH12 ARG B 51 18.816 8.819 2.151 1.00 2.22 H new ATOM 0 HH21 ARG B 51 21.668 6.734 1.811 1.00 2.46 H new ATOM 0 HH22 ARG B 51 21.075 8.397 1.837 1.00 2.46 H new ATOM 2101 N ARG B 52 15.683 1.986 -0.223 1.00 0.84 N ATOM 2102 CA ARG B 52 16.130 1.488 -1.467 1.00 0.98 C ATOM 2103 C ARG B 52 15.438 2.197 -2.540 1.00 1.11 C ATOM 2104 O ARG B 52 16.023 2.409 -3.623 1.00 1.27 O ATOM 2105 CB ARG B 52 15.744 0.013 -1.609 1.00 1.02 C ATOM 2106 CG ARG B 52 16.419 -0.876 -0.560 1.00 1.23 C ATOM 2107 CD ARG B 52 17.937 -0.922 -0.739 1.00 1.31 C ATOM 2108 NE ARG B 52 18.529 0.155 -0.048 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.855 0.334 -0.106 1.00 2.25 C ATOM 2110 NH1 ARG B 52 20.610 -0.492 -0.843 1.00 2.15 N ATOM 2111 NH2 ARG B 52 20.430 1.332 0.579 1.00 3.07 N ATOM 0 H ARG B 52 15.027 1.388 0.279 1.00 0.84 H new ATOM 0 HA ARG B 52 17.211 1.618 -1.522 1.00 0.98 H new ATOM 0 HB2 ARG B 52 14.662 -0.086 -1.522 1.00 1.02 H new ATOM 0 HB3 ARG B 52 16.016 -0.336 -2.605 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.183 -0.504 0.437 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.015 -1.886 -0.627 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.329 -1.867 -0.363 1.00 1.31 H new ATOM 0 HD3 ARG B 52 18.190 -0.870 -1.798 1.00 1.31 H new ATOM 0 HE ARG B 52 17.949 0.796 0.494 1.00 1.79 H new ATOM 0 HH11 ARG B 52 20.175 -1.256 -1.359 1.00 2.15 H new ATOM 0 HH12 ARG B 52 21.620 -0.356 -0.888 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.858 1.957 1.146 1.00 3.07 H new ATOM 0 HH22 ARG B 52 21.440 1.466 0.533 1.00 3.07 H new ATOM 2125 N LYS B 53 14.191 2.653 -2.351 1.00 1.08 N ATOM 2126 CA LYS B 53 13.511 3.353 -3.371 1.00 1.25 C ATOM 2127 C LYS B 53 14.201 4.594 -3.709 1.00 1.35 C ATOM 2128 O LYS B 53 14.170 5.017 -4.885 1.00 1.57 O ATOM 2129 CB LYS B 53 12.125 3.730 -2.845 1.00 1.20 C ATOM 2130 CG LYS B 53 11.204 2.511 -2.840 1.00 1.31 C ATOM 2131 CD LYS B 53 10.599 2.352 -4.235 1.00 1.89 C ATOM 2132 CE LYS B 53 9.596 3.487 -4.457 1.00 2.23 C ATOM 2133 NZ LYS B 53 9.042 3.403 -5.806 1.00 2.62 N ATOM 0 H LYS B 53 13.660 2.533 -1.489 1.00 1.08 H new ATOM 0 HA LYS B 53 13.460 2.717 -4.255 1.00 1.25 H new ATOM 0 HB2 LYS B 53 12.210 4.133 -1.836 1.00 1.20 H new ATOM 0 HB3 LYS B 53 11.695 4.515 -3.467 1.00 1.20 H new ATOM 0 HG2 LYS B 53 11.762 1.616 -2.565 1.00 1.31 H new ATOM 0 HG3 LYS B 53 10.416 2.635 -2.098 1.00 1.31 H new ATOM 0 HD2 LYS B 53 11.381 2.383 -4.994 1.00 1.89 H new ATOM 0 HD3 LYS B 53 10.104 1.385 -4.326 1.00 1.89 H new ATOM 0 HE2 LYS B 53 8.795 3.425 -3.721 1.00 2.23 H new ATOM 0 HE3 LYS B 53 10.086 4.450 -4.315 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 8.797 4.357 -6.140 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 9.747 2.983 -6.445 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 8.188 2.810 -5.794 1.00 2.62 H new ATOM 2147 N GLU B 54 14.860 5.287 -2.770 1.00 1.24 N ATOM 2148 CA GLU B 54 15.461 6.513 -3.114 1.00 1.34 C ATOM 2149 C GLU B 54 16.889 6.406 -3.424 1.00 1.32 C ATOM 2150 O GLU B 54 17.295 6.805 -4.536 1.00 1.39 O ATOM 2151 CB GLU B 54 15.184 7.527 -1.997 1.00 1.34 C ATOM 2152 CG GLU B 54 15.766 7.065 -0.658 1.00 1.18 C ATOM 2153 CD GLU B 54 15.322 7.969 0.399 1.00 1.29 C ATOM 2154 OE1 GLU B 54 15.601 9.186 0.340 1.00 1.87 O ATOM 2155 OE2 GLU B 54 14.656 7.526 1.360 1.00 1.61 O ATOM 0 H GLU B 54 14.971 5.000 -1.797 1.00 1.24 H new ATOM 0 HA GLU B 54 15.012 6.859 -4.045 1.00 1.34 H new ATOM 0 HB2 GLU B 54 15.613 8.492 -2.267 1.00 1.34 H new ATOM 0 HB3 GLU B 54 14.109 7.673 -1.896 1.00 1.34 H new ATOM 0 HG2 GLU B 54 15.444 6.047 -0.440 1.00 1.18 H new ATOM 0 HG3 GLU B 54 16.855 7.051 -0.707 1.00 1.18 H new ATOM 2162 N GLN B 55 17.786 5.900 -2.565 1.00 1.24 N ATOM 2163 CA GLN B 55 19.160 5.994 -2.883 1.00 1.27 C ATOM 2164 C GLN B 55 19.590 5.044 -3.908 1.00 1.34 C ATOM 2165 O GLN B 55 20.783 5.078 -4.280 1.00 1.42 O ATOM 2166 CB GLN B 55 20.008 5.810 -1.621 1.00 1.22 C ATOM 2167 CG GLN B 55 20.021 4.348 -1.175 1.00 1.35 C ATOM 2168 CD GLN B 55 21.070 3.642 -1.907 1.00 2.14 C ATOM 2169 OE1 GLN B 55 22.228 4.110 -1.939 1.00 2.60 O ATOM 2170 NE2 GLN B 55 20.795 2.501 -2.553 1.00 2.89 N ATOM 0 H GLN B 55 17.565 5.442 -1.681 1.00 1.24 H new ATOM 0 HA GLN B 55 19.308 6.991 -3.298 1.00 1.27 H new ATOM 0 HB2 GLN B 55 21.028 6.144 -1.812 1.00 1.22 H new ATOM 0 HB3 GLN B 55 19.613 6.434 -0.820 1.00 1.22 H new ATOM 0 HG2 GLN B 55 20.200 4.282 -0.102 1.00 1.35 H new ATOM 0 HG3 GLN B 55 19.052 3.887 -1.365 1.00 1.35 H new ATOM 0 HE21 GLN B 55 19.851 2.116 -2.529 1.00 2.89 H new ATOM 0 HE22 GLN B 55 21.530 2.017 -3.069 1.00 2.89 H new ATOM 2179 N GLN B 56 18.757 4.139 -4.444 1.00 1.34 N ATOM 2180 CA GLN B 56 19.233 3.258 -5.438 1.00 1.42 C ATOM 2181 C GLN B 56 19.569 3.976 -6.664 1.00 1.55 C ATOM 2182 O GLN B 56 20.617 3.681 -7.280 1.00 1.60 O ATOM 2183 CB GLN B 56 18.156 2.223 -5.765 1.00 1.47 C ATOM 2184 CG GLN B 56 18.710 1.233 -6.792 1.00 1.65 C ATOM 2185 CD GLN B 56 19.899 0.585 -6.246 1.00 1.83 C ATOM 2186 OE1 GLN B 56 20.988 0.660 -6.856 1.00 2.40 O ATOM 2187 NE2 GLN B 56 19.821 -0.096 -5.095 1.00 2.08 N ATOM 0 H GLN B 56 17.776 4.024 -4.191 1.00 1.34 H new ATOM 0 HA GLN B 56 20.130 2.773 -5.052 1.00 1.42 H new ATOM 0 HB2 GLN B 56 17.853 1.696 -4.860 1.00 1.47 H new ATOM 0 HB3 GLN B 56 17.267 2.716 -6.159 1.00 1.47 H new ATOM 0 HG2 GLN B 56 17.955 0.486 -7.038 1.00 1.65 H new ATOM 0 HG3 GLN B 56 18.958 1.752 -7.718 1.00 1.65 H new ATOM 0 HE21 GLN B 56 18.933 -0.157 -4.598 1.00 2.08 H new ATOM 0 HE22 GLN B 56 20.650 -0.554 -4.716 1.00 2.08 H new ATOM 2196 N ILE B 57 18.770 4.940 -7.145 1.00 1.64 N ATOM 2197 CA ILE B 57 19.135 5.586 -8.344 1.00 1.81 C ATOM 2198 C ILE B 57 19.705 6.903 -8.075 1.00 1.89 C ATOM 2199 O ILE B 57 20.329 7.488 -8.987 1.00 2.07 O ATOM 2200 CB ILE B 57 17.936 5.725 -9.284 1.00 1.88 C ATOM 2201 CG1 ILE B 57 17.168 7.005 -8.952 1.00 2.08 C ATOM 2202 CG2 ILE B 57 17.018 4.514 -9.111 1.00 1.87 C ATOM 2203 CD1 ILE B 57 17.864 8.190 -9.626 1.00 2.66 C ATOM 0 H ILE B 57 17.901 5.258 -6.715 1.00 1.64 H new ATOM 0 HA ILE B 57 19.889 4.967 -8.830 1.00 1.81 H new ATOM 0 HB ILE B 57 18.284 5.775 -10.316 1.00 1.88 H new ATOM 0 HG12 ILE B 57 16.137 6.927 -9.298 1.00 2.08 H new ATOM 0 HG13 ILE B 57 17.131 7.153 -7.873 1.00 2.08 H new ATOM 0 HG21 ILE B 57 16.162 4.608 -9.779 1.00 1.87 H new ATOM 0 HG22 ILE B 57 17.567 3.604 -9.351 1.00 1.87 H new ATOM 0 HG23 ILE B 57 16.670 4.466 -8.079 1.00 1.87 H new ATOM 0 HD11 ILE B 57 17.324 9.108 -9.395 1.00 2.66 H new ATOM 0 HD12 ILE B 57 18.887 8.268 -9.258 1.00 2.66 H new ATOM 0 HD13 ILE B 57 17.877 8.038 -10.705 1.00 2.66 H new ATOM 2215 N GLY B 58 19.547 7.510 -6.889 1.00 1.79 N ATOM 2216 CA GLY B 58 20.043 8.823 -6.737 1.00 1.90 C ATOM 2217 C GLY B 58 19.001 9.721 -6.239 1.00 1.88 C ATOM 2218 O GLY B 58 19.147 10.952 -6.394 1.00 1.99 O ATOM 0 H GLY B 58 19.094 7.106 -6.070 1.00 1.79 H new ATOM 0 HA2 GLY B 58 20.886 8.820 -6.046 1.00 1.90 H new ATOM 0 HA3 GLY B 58 20.416 9.188 -7.694 1.00 1.90 H new ATOM 2222 N TRP B 59 17.934 9.208 -5.603 1.00 1.76 N ATOM 2223 CA TRP B 59 16.904 9.976 -5.002 1.00 1.74 C ATOM 2224 C TRP B 59 15.814 10.368 -5.897 1.00 1.83 C ATOM 2225 O TRP B 59 14.805 10.901 -5.387 1.00 1.90 O ATOM 2226 CB TRP B 59 17.440 11.236 -4.316 1.00 1.80 C ATOM 2227 CG TRP B 59 16.341 11.890 -3.615 1.00 2.05 C ATOM 2228 CD1 TRP B 59 15.787 11.522 -2.392 1.00 2.09 C ATOM 2229 CD2 TRP B 59 15.654 13.020 -4.027 1.00 2.50 C ATOM 2230 NE1 TRP B 59 14.807 12.391 -2.081 1.00 2.57 N ATOM 2231 CE2 TRP B 59 14.713 13.304 -3.060 1.00 2.86 C ATOM 2232 CE3 TRP B 59 15.792 13.797 -5.167 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 13.860 14.389 -3.186 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 14.939 14.890 -5.304 1.00 3.32 C ATOM 2235 CH2 TRP B 59 13.985 15.182 -4.326 1.00 3.70 C ATOM 0 H TRP B 59 17.788 8.203 -5.506 1.00 1.76 H new ATOM 0 HA TRP B 59 16.488 9.288 -4.266 1.00 1.74 H new ATOM 0 HB2 TRP B 59 18.234 10.976 -3.616 1.00 1.80 H new ATOM 0 HB3 TRP B 59 17.874 11.912 -5.053 1.00 1.80 H new ATOM 0 HD1 TRP B 59 16.093 10.678 -1.791 1.00 2.09 H new ATOM 0 HE1 TRP B 59 14.231 12.360 -1.240 1.00 2.57 H new ATOM 0 HE3 TRP B 59 16.531 13.564 -5.919 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 13.124 14.612 -2.428 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 15.016 15.520 -6.178 1.00 3.32 H new ATOM 0 HH2 TRP B 59 13.335 16.035 -4.455 1.00 3.70 H new ATOM 2246 N SER B 60 15.827 10.190 -7.227 1.00 1.88 N ATOM 2247 CA SER B 60 14.683 10.593 -7.955 1.00 1.98 C ATOM 2248 C SER B 60 13.633 9.576 -7.846 1.00 1.92 C ATOM 2249 O SER B 60 12.506 9.824 -8.325 1.00 1.97 O ATOM 2250 CB SER B 60 14.997 10.887 -9.424 1.00 2.09 C ATOM 2251 OG SER B 60 15.322 9.692 -10.114 1.00 2.16 O ATOM 0 H SER B 60 16.590 9.788 -7.771 1.00 1.88 H new ATOM 0 HA SER B 60 14.330 11.526 -7.515 1.00 1.98 H new ATOM 0 HB2 SER B 60 14.138 11.364 -9.897 1.00 2.09 H new ATOM 0 HB3 SER B 60 15.828 11.589 -9.490 1.00 2.09 H new ATOM 0 HG SER B 60 15.518 9.899 -11.052 1.00 2.16 H new ATOM 2257 N HIS B 61 13.892 8.402 -7.238 1.00 1.87 N ATOM 2258 CA HIS B 61 12.931 7.384 -6.997 1.00 1.91 C ATOM 2259 C HIS B 61 11.928 7.172 -8.045 1.00 1.97 C ATOM 2260 O HIS B 61 10.716 7.255 -7.749 1.00 2.60 O ATOM 2261 CB HIS B 61 12.243 7.592 -5.641 1.00 2.75 C ATOM 2262 CG HIS B 61 11.504 8.850 -5.581 1.00 3.15 C ATOM 2263 ND1 HIS B 61 12.012 10.064 -5.327 1.00 4.13 N ATOM 2264 CD2 HIS B 61 10.134 9.005 -5.744 1.00 3.11 C ATOM 2265 CE1 HIS B 61 11.007 10.951 -5.328 1.00 4.69 C ATOM 2266 NE2 HIS B 61 9.859 10.306 -5.585 1.00 4.06 N ATOM 0 H HIS B 61 14.823 8.157 -6.900 1.00 1.87 H new ATOM 0 HA HIS B 61 13.521 6.468 -6.996 1.00 1.91 H new ATOM 0 HB2 HIS B 61 11.561 6.763 -5.451 1.00 2.75 H new ATOM 0 HB3 HIS B 61 12.992 7.575 -4.850 1.00 2.75 H new ATOM 0 HD1 HIS B 61 12.996 10.277 -5.161 1.00 4.13 H new ATOM 0 HD2 HIS B 61 9.422 8.222 -5.959 1.00 3.11 H new ATOM 0 HE1 HIS B 61 11.105 12.012 -5.151 1.00 4.69 H new ATOM 2275 N PRO B 62 12.267 6.905 -9.318 1.00 1.93 N ATOM 2276 CA PRO B 62 11.300 6.671 -10.322 1.00 2.45 C ATOM 2277 C PRO B 62 10.930 5.287 -10.365 1.00 2.06 C ATOM 2278 O PRO B 62 10.204 4.889 -11.261 1.00 2.31 O ATOM 2279 CB PRO B 62 12.065 6.995 -11.602 1.00 3.15 C ATOM 2280 CG PRO B 62 13.472 6.511 -11.260 1.00 2.98 C ATOM 2281 CD PRO B 62 13.618 6.842 -9.773 1.00 2.10 C ATOM 0 HA PRO B 62 10.389 7.249 -10.166 1.00 2.45 H new ATOM 0 HB2 PRO B 62 11.653 6.475 -12.467 1.00 3.15 H new ATOM 0 HB3 PRO B 62 12.044 8.060 -11.832 1.00 3.15 H new ATOM 0 HG2 PRO B 62 13.584 5.443 -11.445 1.00 2.98 H new ATOM 0 HG3 PRO B 62 14.227 7.019 -11.859 1.00 2.98 H new ATOM 0 HD2 PRO B 62 14.186 6.076 -9.244 1.00 2.10 H new ATOM 0 HD3 PRO B 62 14.139 7.787 -9.620 1.00 2.10 H new ATOM 2289 N GLN B 63 11.381 4.439 -9.473 1.00 1.69 N ATOM 2290 CA GLN B 63 11.068 3.065 -9.548 1.00 1.51 C ATOM 2291 C GLN B 63 9.700 2.769 -9.128 1.00 1.56 C ATOM 2292 O GLN B 63 9.520 2.067 -8.110 1.00 1.92 O ATOM 2293 CB GLN B 63 12.011 2.309 -8.612 1.00 1.70 C ATOM 2294 CG GLN B 63 13.455 2.453 -9.096 1.00 2.04 C ATOM 2295 CD GLN B 63 14.337 1.709 -8.201 1.00 2.56 C ATOM 2296 OE1 GLN B 63 13.828 1.075 -7.136 1.00 3.20 O flip ATOM 2297 NE2 GLN B 63 15.565 1.659 -8.429 1.00 2.72 N flip ATOM 0 H GLN B 63 11.972 4.698 -8.683 1.00 1.69 H new ATOM 0 HA GLN B 63 11.175 2.763 -10.590 1.00 1.51 H new ATOM 0 HB2 GLN B 63 11.918 2.697 -7.598 1.00 1.70 H new ATOM 0 HB3 GLN B 63 11.734 1.255 -8.577 1.00 1.70 H new ATOM 0 HG2 GLN B 63 13.549 2.077 -10.115 1.00 2.04 H new ATOM 0 HG3 GLN B 63 13.741 3.505 -9.117 1.00 2.04 H new ATOM 0 HE21 GLN B 63 15.953 2.141 -9.240 1.00 2.72 H new ATOM 0 HE22 GLN B 63 16.179 1.136 -7.805 1.00 2.72 H new ATOM 2306 N PHE B 64 8.641 3.206 -9.824 1.00 1.50 N ATOM 2307 CA PHE B 64 7.342 2.810 -9.444 1.00 1.63 C ATOM 2308 C PHE B 64 7.097 1.511 -10.063 1.00 1.91 C ATOM 2309 O PHE B 64 6.695 0.543 -9.383 1.00 2.60 O ATOM 2310 CB PHE B 64 6.306 3.814 -9.958 1.00 1.89 C ATOM 2311 CG PHE B 64 6.425 5.078 -9.237 1.00 3.00 C ATOM 2312 CD1 PHE B 64 7.463 5.954 -9.532 1.00 3.73 C ATOM 2313 CD2 PHE B 64 5.479 5.421 -8.278 1.00 3.61 C ATOM 2314 CE1 PHE B 64 7.566 7.165 -8.856 1.00 4.94 C ATOM 2315 CE2 PHE B 64 5.581 6.632 -7.603 1.00 4.84 C ATOM 2316 CZ PHE B 64 6.626 7.503 -7.890 1.00 5.47 C ATOM 0 H PHE B 64 8.689 3.823 -10.635 1.00 1.50 H new ATOM 0 HA PHE B 64 7.261 2.761 -8.358 1.00 1.63 H new ATOM 0 HB2 PHE B 64 6.450 3.981 -11.025 1.00 1.89 H new ATOM 0 HB3 PHE B 64 5.302 3.408 -9.831 1.00 1.89 H new ATOM 0 HD1 PHE B 64 8.190 5.694 -10.287 1.00 3.73 H new ATOM 0 HD2 PHE B 64 4.665 4.747 -8.057 1.00 3.61 H new ATOM 0 HE1 PHE B 64 8.376 7.842 -9.082 1.00 4.94 H new ATOM 0 HE2 PHE B 64 4.848 6.896 -6.855 1.00 4.84 H new ATOM 0 HZ PHE B 64 6.707 8.442 -7.362 1.00 5.47 H new ATOM 2326 N GLU B 65 7.361 1.358 -11.367 1.00 2.14 N ATOM 2327 CA GLU B 65 7.155 0.121 -12.009 1.00 2.99 C ATOM 2328 C GLU B 65 8.441 -0.374 -12.492 1.00 3.60 C ATOM 2329 O GLU B 65 8.499 -1.451 -13.124 1.00 4.49 O ATOM 2330 CB GLU B 65 6.188 0.309 -13.180 1.00 3.51 C ATOM 2331 CG GLU B 65 6.782 1.303 -14.178 1.00 3.70 C ATOM 2332 CD GLU B 65 5.833 1.532 -15.263 1.00 4.67 C ATOM 2333 OE1 GLU B 65 4.712 2.029 -15.018 1.00 5.13 O ATOM 2334 OE2 GLU B 65 6.143 1.240 -16.438 1.00 5.30 O ATOM 0 H GLU B 65 7.718 2.098 -11.972 1.00 2.14 H new ATOM 0 HA GLU B 65 6.725 -0.599 -11.312 1.00 2.99 H new ATOM 0 HB2 GLU B 65 6.003 -0.647 -13.669 1.00 3.51 H new ATOM 0 HB3 GLU B 65 5.227 0.673 -12.817 1.00 3.51 H new ATOM 0 HG2 GLU B 65 7.012 2.244 -13.677 1.00 3.70 H new ATOM 0 HG3 GLU B 65 7.720 0.917 -14.577 1.00 3.70 H new ATOM 2341 N LYS B 66 9.558 0.332 -12.258 1.00 3.37 N ATOM 2342 CA LYS B 66 10.804 -0.130 -12.728 1.00 4.26 C ATOM 2343 C LYS B 66 11.641 -0.507 -11.594 1.00 5.05 C ATOM 2344 O LYS B 66 12.744 0.054 -11.418 1.00 5.15 O ATOM 2345 CB LYS B 66 11.492 0.991 -13.509 1.00 4.08 C ATOM 2346 CG LYS B 66 10.655 1.338 -14.742 1.00 3.92 C ATOM 2347 CD LYS B 66 11.288 2.518 -15.482 1.00 4.31 C ATOM 2348 CE LYS B 66 11.150 3.785 -14.635 1.00 4.82 C ATOM 2349 NZ LYS B 66 11.705 4.921 -15.369 1.00 5.28 N ATOM 2350 OXT LYS B 66 11.259 -1.398 -10.804 1.00 5.88 O ATOM 0 H LYS B 66 9.590 1.214 -11.747 1.00 3.37 H new ATOM 0 HA LYS B 66 10.654 -0.994 -13.375 1.00 4.26 H new ATOM 0 HB2 LYS B 66 11.610 1.871 -12.876 1.00 4.08 H new ATOM 0 HB3 LYS B 66 12.492 0.679 -13.810 1.00 4.08 H new ATOM 0 HG2 LYS B 66 10.590 0.474 -15.404 1.00 3.92 H new ATOM 0 HG3 LYS B 66 9.637 1.588 -14.443 1.00 3.92 H new ATOM 0 HD2 LYS B 66 12.340 2.314 -15.681 1.00 4.31 H new ATOM 0 HD3 LYS B 66 10.802 2.658 -16.447 1.00 4.31 H new ATOM 0 HE2 LYS B 66 10.101 3.967 -14.400 1.00 4.82 H new ATOM 0 HE3 LYS B 66 11.672 3.660 -13.686 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 11.612 5.784 -14.795 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 12.710 4.746 -15.571 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 11.188 5.043 -16.263 1.00 5.28 H new TER 2364 LYS B 66