USER MOD reduce.3.24.130724 H: found=0, std=0, add=1166, rem=0, adj=24 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: B 53 LYS NZ :NH3+ -145:sc= 1.55 (180deg=-0.834!) USER MOD Set 1.2: B 61 HIS : no HE2:sc= -3.26! C(o=-1.7!,f=-0.93!) USER MOD Set 2.1: B 1 MET CE :methyl -123:sc= 0 (180deg=-0.735) USER MOD Set 2.2: B 10 SER OG : rot 58:sc= -0.014 USER MOD Set 3.1: A 53 LYS NZ :NH3+ -143:sc= 1.54 (180deg=-0.862!) USER MOD Set 3.2: A 61 HIS : no HE2:sc= -3.6! C(o=-2.1!,f=-0.9!) USER MOD Set 4.1: A 22 TYR OH : rot 180:sc= 0.5 USER MOD Set 4.2: B 22 TYR OH : rot 90:sc= 0.548 USER MOD Set 5.1: A 1 MET CE :methyl -120:sc=-0.00539 (180deg=-0.738) USER MOD Set 5.2: A 10 SER OG : rot 54:sc= -0.0917 USER MOD Single : A 1 MET N :NH3+ -113:sc= 0.316 (180deg=0.00255) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 13:sc= 0.427 USER MOD Single : A 13 GLN : amide:sc= -0.992 K(o=-0.99,f=-7.1!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -4.09! (180deg=-7.56!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0504 USER MOD Single : A 34 TYR OH : rot -140:sc= 0 USER MOD Single : A 36 SER OG : rot 165:sc= 0.49 USER MOD Single : A 37 GLN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 42 ASN : amide:sc= -0.0214 K(o=-0.021,f=-2.2!) USER MOD Single : A 45 GLN : amide:sc= -0.175 X(o=-0.18,f=-0.18) USER MOD Single : A 55 GLN : amide:sc= -1.63! C(o=-1.6!,f=-2!) USER MOD Single : A 56 GLN : amide:sc= -0.288 X(o=-0.29,f=-0.29) USER MOD Single : A 60 SER OG : rot 180:sc= -0.45 USER MOD Single : A 63 GLN : amide:sc= -2.16! C(o=-2.2!,f=-3.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 1 MET N :NH3+ -110:sc= 0.297 (180deg=0.0028) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 7 THR OG1 : rot 12:sc= 0.452 USER MOD Single : B 13 GLN : amide:sc= -1.06 K(o=-1.1,f=-7.1!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 151:sc= -4.03! (180deg=-7.31!) USER MOD Single : B 28 THR OG1 : rot 180:sc= -0.0486 USER MOD Single : B 34 TYR OH : rot -140:sc= 0 USER MOD Single : B 36 SER OG : rot 164:sc= 0.473 USER MOD Single : B 37 GLN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : B 42 ASN : amide:sc= -0.0339 K(o=-0.034,f=-2.1!) USER MOD Single : B 45 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.24) USER MOD Single : B 55 GLN : amide:sc= -1.52! C(o=-1.5!,f=-2!) USER MOD Single : B 56 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.27) USER MOD Single : B 60 SER OG : rot 180:sc= -0.453 USER MOD Single : B 63 GLN : amide:sc= -2.18! C(o=-2.2!,f=-3.1!) USER MOD Single : B 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.186 -16.505 4.304 1.00 4.10 N ATOM 2 CA MET A 1 -6.551 -15.094 4.186 1.00 3.64 C ATOM 3 C MET A 1 -5.343 -14.273 4.197 1.00 3.20 C ATOM 4 O MET A 1 -5.184 -13.409 5.086 1.00 3.61 O ATOM 5 CB MET A 1 -7.431 -14.726 5.383 1.00 4.44 C ATOM 6 CG MET A 1 -7.950 -13.293 5.252 1.00 5.32 C ATOM 7 SD MET A 1 -9.161 -13.199 3.925 1.00 5.98 S ATOM 8 CE MET A 1 -9.466 -11.456 4.256 1.00 6.70 C ATOM 0 H1 MET A 1 -6.419 -16.999 3.419 1.00 4.10 H new ATOM 0 H2 MET A 1 -5.165 -16.585 4.487 1.00 4.10 H new ATOM 0 H3 MET A 1 -6.714 -16.935 5.090 1.00 4.10 H new ATOM 0 HA MET A 1 -7.088 -14.920 3.254 1.00 3.64 H new ATOM 0 HB2 MET A 1 -8.271 -15.418 5.450 1.00 4.44 H new ATOM 0 HB3 MET A 1 -6.860 -14.828 6.306 1.00 4.44 H new ATOM 0 HG2 MET A 1 -8.401 -12.973 6.191 1.00 5.32 H new ATOM 0 HG3 MET A 1 -7.122 -12.614 5.049 1.00 5.32 H new ATOM 0 HE1 MET A 1 -10.515 -11.313 4.513 1.00 6.70 H new ATOM 0 HE2 MET A 1 -8.841 -11.129 5.087 1.00 6.70 H new ATOM 0 HE3 MET A 1 -9.227 -10.870 3.369 1.00 6.70 H new ATOM 20 N GLU A 2 -4.407 -14.444 3.253 1.00 2.52 N ATOM 21 CA GLU A 2 -3.244 -13.644 3.257 1.00 2.21 C ATOM 22 C GLU A 2 -2.897 -13.244 1.896 1.00 1.84 C ATOM 23 O GLU A 2 -1.921 -12.486 1.704 1.00 1.98 O ATOM 24 CB GLU A 2 -2.074 -14.440 3.841 1.00 2.47 C ATOM 25 CG GLU A 2 -1.816 -15.682 2.983 1.00 2.84 C ATOM 26 CD GLU A 2 -2.897 -16.642 3.182 1.00 3.40 C ATOM 27 OE1 GLU A 2 -3.140 -17.078 4.329 1.00 3.98 O ATOM 28 OE2 GLU A 2 -3.598 -17.011 2.216 1.00 3.74 O ATOM 0 H GLU A 2 -4.460 -15.129 2.499 1.00 2.52 H new ATOM 0 HA GLU A 2 -3.438 -12.757 3.861 1.00 2.21 H new ATOM 0 HB2 GLU A 2 -1.180 -13.818 3.876 1.00 2.47 H new ATOM 0 HB3 GLU A 2 -2.298 -14.734 4.866 1.00 2.47 H new ATOM 0 HG2 GLU A 2 -1.751 -15.404 1.931 1.00 2.84 H new ATOM 0 HG3 GLU A 2 -0.861 -16.132 3.253 1.00 2.84 H new ATOM 35 N LYS A 3 -3.605 -13.696 0.852 1.00 1.84 N ATOM 36 CA LYS A 3 -3.241 -13.318 -0.456 1.00 1.95 C ATOM 37 C LYS A 3 -4.444 -13.112 -1.254 1.00 1.67 C ATOM 38 O LYS A 3 -5.557 -13.356 -0.745 1.00 1.92 O ATOM 39 CB LYS A 3 -2.413 -14.447 -1.071 1.00 2.60 C ATOM 40 CG LYS A 3 -3.275 -15.710 -1.132 1.00 3.26 C ATOM 41 CD LYS A 3 -2.407 -16.908 -1.520 1.00 3.92 C ATOM 42 CE LYS A 3 -1.936 -16.761 -2.968 1.00 4.14 C ATOM 43 NZ LYS A 3 -1.138 -17.931 -3.332 1.00 4.84 N ATOM 0 H LYS A 3 -4.415 -14.313 0.918 1.00 1.84 H new ATOM 0 HA LYS A 3 -2.663 -12.394 -0.433 1.00 1.95 H new ATOM 0 HB2 LYS A 3 -2.078 -14.169 -2.070 1.00 2.60 H new ATOM 0 HB3 LYS A 3 -1.519 -14.628 -0.474 1.00 2.60 H new ATOM 0 HG2 LYS A 3 -3.746 -15.888 -0.165 1.00 3.26 H new ATOM 0 HG3 LYS A 3 -4.077 -15.580 -1.858 1.00 3.26 H new ATOM 0 HD2 LYS A 3 -1.547 -16.976 -0.854 1.00 3.92 H new ATOM 0 HD3 LYS A 3 -2.974 -17.832 -1.405 1.00 3.92 H new ATOM 0 HE2 LYS A 3 -2.793 -16.668 -3.635 1.00 4.14 H new ATOM 0 HE3 LYS A 3 -1.345 -15.852 -3.081 1.00 4.14 H new ATOM 0 HZ1 LYS A 3 -0.814 -17.838 -4.316 1.00 4.84 H new ATOM 0 HZ2 LYS A 3 -0.314 -17.999 -2.701 1.00 4.84 H new ATOM 0 HZ3 LYS A 3 -1.718 -18.789 -3.238 1.00 4.84 H new ATOM 57 N ARG A 4 -4.333 -12.663 -2.513 1.00 1.50 N ATOM 58 CA ARG A 4 -5.449 -12.441 -3.354 1.00 1.29 C ATOM 59 C ARG A 4 -6.024 -13.695 -3.843 1.00 1.50 C ATOM 60 O ARG A 4 -5.348 -14.404 -4.619 1.00 1.81 O ATOM 61 CB ARG A 4 -4.897 -11.612 -4.515 1.00 1.45 C ATOM 62 CG ARG A 4 -5.856 -11.493 -5.699 1.00 1.70 C ATOM 63 CD ARG A 4 -5.750 -12.782 -6.517 1.00 2.73 C ATOM 64 NE ARG A 4 -6.177 -12.560 -7.842 1.00 3.33 N ATOM 65 CZ ARG A 4 -6.261 -13.595 -8.689 1.00 4.45 C ATOM 66 NH1 ARG A 4 -6.024 -14.839 -8.250 1.00 5.09 N ATOM 67 NH2 ARG A 4 -6.573 -13.393 -9.977 1.00 5.20 N ATOM 0 H ARG A 4 -3.438 -12.450 -2.953 1.00 1.50 H new ATOM 0 HA ARG A 4 -6.256 -11.938 -2.822 1.00 1.29 H new ATOM 0 HB2 ARG A 4 -4.656 -10.613 -4.153 1.00 1.45 H new ATOM 0 HB3 ARG A 4 -3.965 -12.060 -4.858 1.00 1.45 H new ATOM 0 HG2 ARG A 4 -6.878 -11.345 -5.350 1.00 1.70 H new ATOM 0 HG3 ARG A 4 -5.600 -10.629 -6.312 1.00 1.70 H new ATOM 0 HD2 ARG A 4 -4.720 -13.138 -6.515 1.00 2.73 H new ATOM 0 HD3 ARG A 4 -6.357 -13.562 -6.058 1.00 2.73 H new ATOM 0 HE ARG A 4 -6.420 -11.620 -8.153 1.00 3.33 H new ATOM 0 HH11 ARG A 4 -5.780 -14.997 -7.272 1.00 5.09 H new ATOM 0 HH12 ARG A 4 -6.088 -15.628 -8.894 1.00 5.09 H new ATOM 0 HH21 ARG A 4 -6.748 -12.447 -10.317 1.00 5.20 H new ATOM 0 HH22 ARG A 4 -6.635 -14.185 -10.617 1.00 5.20 H new ATOM 81 N PRO A 5 -7.239 -14.117 -3.450 1.00 1.56 N ATOM 82 CA PRO A 5 -7.790 -15.321 -3.938 1.00 1.84 C ATOM 83 C PRO A 5 -8.404 -15.179 -5.230 1.00 1.57 C ATOM 84 O PRO A 5 -7.988 -15.827 -6.176 1.00 1.86 O ATOM 85 CB PRO A 5 -8.832 -15.678 -2.879 1.00 2.15 C ATOM 86 CG PRO A 5 -9.266 -14.319 -2.329 1.00 2.06 C ATOM 87 CD PRO A 5 -8.047 -13.408 -2.507 1.00 1.65 C ATOM 0 HA PRO A 5 -7.026 -16.084 -4.087 1.00 1.84 H new ATOM 0 HB2 PRO A 5 -9.672 -16.223 -3.311 1.00 2.15 H new ATOM 0 HB3 PRO A 5 -8.410 -16.310 -2.098 1.00 2.15 H new ATOM 0 HG2 PRO A 5 -10.129 -13.932 -2.870 1.00 2.06 H new ATOM 0 HG3 PRO A 5 -9.554 -14.392 -1.280 1.00 2.06 H new ATOM 0 HD2 PRO A 5 -8.331 -12.424 -2.881 1.00 1.65 H new ATOM 0 HD3 PRO A 5 -7.521 -13.251 -1.565 1.00 1.65 H new ATOM 95 N ARG A 6 -9.440 -14.386 -5.387 1.00 1.20 N ATOM 96 CA ARG A 6 -10.116 -14.282 -6.622 1.00 1.13 C ATOM 97 C ARG A 6 -10.401 -12.880 -6.922 1.00 1.07 C ATOM 98 O ARG A 6 -11.592 -12.502 -6.912 1.00 1.44 O ATOM 99 CB ARG A 6 -11.460 -15.006 -6.500 1.00 1.21 C ATOM 100 CG ARG A 6 -11.240 -16.497 -6.234 1.00 1.55 C ATOM 101 CD ARG A 6 -12.591 -17.186 -6.028 1.00 1.87 C ATOM 102 NE ARG A 6 -13.377 -17.045 -7.190 1.00 2.69 N ATOM 103 CZ ARG A 6 -14.614 -16.534 -7.106 1.00 3.24 C ATOM 104 NH1 ARG A 6 -15.105 -16.151 -5.920 1.00 3.20 N ATOM 105 NH2 ARG A 6 -15.360 -16.406 -8.212 1.00 4.22 N ATOM 0 H ARG A 6 -9.825 -13.800 -4.646 1.00 1.20 H new ATOM 0 HA ARG A 6 -9.494 -14.714 -7.406 1.00 1.13 H new ATOM 0 HB2 ARG A 6 -12.044 -14.568 -5.691 1.00 1.21 H new ATOM 0 HB3 ARG A 6 -12.036 -14.874 -7.416 1.00 1.21 H new ATOM 0 HG2 ARG A 6 -10.712 -16.952 -7.072 1.00 1.55 H new ATOM 0 HG3 ARG A 6 -10.614 -16.631 -5.352 1.00 1.55 H new ATOM 0 HD2 ARG A 6 -12.441 -18.242 -5.804 1.00 1.87 H new ATOM 0 HD3 ARG A 6 -13.107 -16.749 -5.173 1.00 1.87 H new ATOM 0 HE ARG A 6 -13.004 -17.332 -8.095 1.00 2.69 H new ATOM 0 HH11 ARG A 6 -14.538 -16.248 -5.078 1.00 3.20 H new ATOM 0 HH12 ARG A 6 -16.046 -15.763 -5.859 1.00 3.20 H new ATOM 0 HH21 ARG A 6 -14.987 -16.697 -9.115 1.00 4.22 H new ATOM 0 HH22 ARG A 6 -16.301 -16.018 -8.150 1.00 4.22 H new ATOM 119 N THR A 7 -9.406 -12.029 -7.218 1.00 0.98 N ATOM 120 CA THR A 7 -9.606 -10.652 -7.495 1.00 0.88 C ATOM 121 C THR A 7 -10.625 -10.037 -6.644 1.00 0.88 C ATOM 122 O THR A 7 -11.522 -9.339 -7.165 1.00 0.89 O ATOM 123 CB THR A 7 -10.052 -10.458 -8.948 1.00 0.87 C ATOM 124 OG1 THR A 7 -11.298 -11.107 -9.159 1.00 0.95 O ATOM 125 CG2 THR A 7 -9.017 -11.050 -9.904 1.00 0.90 C ATOM 0 H THR A 7 -8.428 -12.315 -7.265 1.00 0.98 H new ATOM 0 HA THR A 7 -8.647 -10.172 -7.301 1.00 0.88 H new ATOM 0 HB THR A 7 -10.152 -9.390 -9.140 1.00 0.87 H new ATOM 0 HG1 THR A 7 -11.691 -11.350 -8.295 1.00 0.95 H new ATOM 0 HG21 THR A 7 -9.347 -10.905 -10.933 1.00 0.90 H new ATOM 0 HG22 THR A 7 -8.059 -10.552 -9.757 1.00 0.90 H new ATOM 0 HG23 THR A 7 -8.906 -12.116 -9.705 1.00 0.90 H new ATOM 133 N GLU A 8 -10.600 -10.203 -5.314 1.00 0.91 N ATOM 134 CA GLU A 8 -11.568 -9.578 -4.499 1.00 0.98 C ATOM 135 C GLU A 8 -10.905 -8.868 -3.410 1.00 0.96 C ATOM 136 O GLU A 8 -11.586 -8.533 -2.419 1.00 1.30 O ATOM 137 CB GLU A 8 -12.515 -10.637 -3.934 1.00 1.20 C ATOM 138 CG GLU A 8 -11.727 -11.708 -3.181 1.00 1.29 C ATOM 139 CD GLU A 8 -12.663 -12.705 -2.669 1.00 1.75 C ATOM 140 OE1 GLU A 8 -13.580 -12.358 -1.894 1.00 2.22 O ATOM 141 OE2 GLU A 8 -12.552 -13.903 -3.005 1.00 2.27 O ATOM 0 H GLU A 8 -9.913 -10.766 -4.813 1.00 0.91 H new ATOM 0 HA GLU A 8 -12.141 -8.864 -5.091 1.00 0.98 H new ATOM 0 HB2 GLU A 8 -13.236 -10.169 -3.264 1.00 1.20 H new ATOM 0 HB3 GLU A 8 -13.083 -11.096 -4.744 1.00 1.20 H new ATOM 0 HG2 GLU A 8 -11.000 -12.178 -3.843 1.00 1.29 H new ATOM 0 HG3 GLU A 8 -11.167 -11.259 -2.361 1.00 1.29 H new ATOM 148 N PHE A 9 -9.590 -8.609 -3.523 1.00 0.75 N ATOM 149 CA PHE A 9 -8.765 -7.965 -2.562 1.00 0.68 C ATOM 150 C PHE A 9 -8.820 -8.596 -1.240 1.00 0.81 C ATOM 151 O PHE A 9 -9.890 -8.715 -0.605 1.00 0.93 O ATOM 152 CB PHE A 9 -8.978 -6.445 -2.468 1.00 0.55 C ATOM 153 CG PHE A 9 -10.289 -6.042 -1.963 1.00 0.57 C ATOM 154 CD1 PHE A 9 -10.562 -6.122 -0.602 1.00 0.87 C ATOM 155 CD2 PHE A 9 -11.272 -5.595 -2.839 1.00 0.82 C ATOM 156 CE1 PHE A 9 -11.808 -5.742 -0.117 1.00 0.92 C ATOM 157 CE2 PHE A 9 -12.519 -5.216 -2.355 1.00 0.89 C ATOM 158 CZ PHE A 9 -12.787 -5.287 -0.993 1.00 0.72 C ATOM 0 H PHE A 9 -9.067 -8.875 -4.358 1.00 0.75 H new ATOM 0 HA PHE A 9 -7.754 -8.105 -2.945 1.00 0.68 H new ATOM 0 HB2 PHE A 9 -8.209 -6.023 -1.821 1.00 0.55 H new ATOM 0 HB3 PHE A 9 -8.835 -6.010 -3.457 1.00 0.55 H new ATOM 0 HD1 PHE A 9 -9.805 -6.480 0.080 1.00 0.87 H new ATOM 0 HD2 PHE A 9 -11.066 -5.542 -3.898 1.00 0.82 H new ATOM 0 HE1 PHE A 9 -12.016 -5.800 0.941 1.00 0.92 H new ATOM 0 HE2 PHE A 9 -13.280 -4.866 -3.037 1.00 0.89 H new ATOM 0 HZ PHE A 9 -13.754 -4.989 -0.616 1.00 0.72 H new ATOM 168 N SER A 10 -7.675 -9.005 -0.676 1.00 0.92 N ATOM 169 CA SER A 10 -7.684 -9.612 0.600 1.00 1.07 C ATOM 170 C SER A 10 -7.262 -8.649 1.610 1.00 0.95 C ATOM 171 O SER A 10 -7.029 -7.468 1.277 1.00 0.79 O ATOM 172 CB SER A 10 -6.730 -10.807 0.610 1.00 1.27 C ATOM 173 OG SER A 10 -6.887 -11.527 1.824 1.00 1.65 O ATOM 0 H SER A 10 -6.754 -8.914 -1.104 1.00 0.92 H new ATOM 0 HA SER A 10 -8.695 -9.951 0.824 1.00 1.07 H new ATOM 0 HB2 SER A 10 -6.935 -11.457 -0.240 1.00 1.27 H new ATOM 0 HB3 SER A 10 -5.700 -10.465 0.508 1.00 1.27 H new ATOM 0 HG SER A 10 -7.831 -11.758 1.948 1.00 1.65 H new ATOM 179 N GLU A 11 -7.083 -9.035 2.883 1.00 1.08 N ATOM 180 CA GLU A 11 -6.694 -8.094 3.862 1.00 1.08 C ATOM 181 C GLU A 11 -5.353 -7.589 3.595 1.00 0.96 C ATOM 182 O GLU A 11 -4.998 -6.500 4.093 1.00 0.94 O ATOM 183 CB GLU A 11 -6.734 -8.720 5.258 1.00 1.26 C ATOM 184 CG GLU A 11 -5.691 -9.834 5.358 1.00 1.21 C ATOM 185 CD GLU A 11 -5.728 -10.409 6.700 1.00 1.81 C ATOM 186 OE1 GLU A 11 -6.779 -10.937 7.125 1.00 2.29 O ATOM 187 OE2 GLU A 11 -4.711 -10.371 7.425 1.00 2.60 O ATOM 0 H GLU A 11 -7.208 -9.988 3.224 1.00 1.08 H new ATOM 0 HA GLU A 11 -7.399 -7.264 3.821 1.00 1.08 H new ATOM 0 HB2 GLU A 11 -6.539 -7.959 6.013 1.00 1.26 H new ATOM 0 HB3 GLU A 11 -7.728 -9.121 5.458 1.00 1.26 H new ATOM 0 HG2 GLU A 11 -5.892 -10.605 4.614 1.00 1.21 H new ATOM 0 HG3 GLU A 11 -4.698 -9.438 5.146 1.00 1.21 H new ATOM 194 N GLU A 12 -4.522 -8.276 2.802 1.00 0.93 N ATOM 195 CA GLU A 12 -3.245 -7.784 2.482 1.00 0.82 C ATOM 196 C GLU A 12 -3.398 -6.580 1.668 1.00 0.71 C ATOM 197 O GLU A 12 -2.687 -5.570 1.871 1.00 0.70 O ATOM 198 CB GLU A 12 -2.544 -8.863 1.654 1.00 0.85 C ATOM 199 CG GLU A 12 -1.091 -8.464 1.396 1.00 1.17 C ATOM 200 CD GLU A 12 -0.373 -8.430 2.666 1.00 2.13 C ATOM 201 OE1 GLU A 12 -0.353 -9.444 3.397 1.00 2.73 O ATOM 202 OE2 GLU A 12 0.235 -7.396 3.014 1.00 2.46 O ATOM 0 H GLU A 12 -4.746 -9.179 2.384 1.00 0.93 H new ATOM 0 HA GLU A 12 -2.673 -7.546 3.379 1.00 0.82 H new ATOM 0 HB2 GLU A 12 -2.580 -9.817 2.180 1.00 0.85 H new ATOM 0 HB3 GLU A 12 -3.065 -9.002 0.707 1.00 0.85 H new ATOM 0 HG2 GLU A 12 -0.621 -9.175 0.717 1.00 1.17 H new ATOM 0 HG3 GLU A 12 -1.049 -7.487 0.914 1.00 1.17 H new ATOM 209 N GLN A 13 -4.341 -6.588 0.715 1.00 0.67 N ATOM 210 CA GLN A 13 -4.509 -5.514 -0.178 1.00 0.57 C ATOM 211 C GLN A 13 -5.438 -4.525 0.367 1.00 0.52 C ATOM 212 O GLN A 13 -5.505 -3.392 -0.156 1.00 0.47 O ATOM 213 CB GLN A 13 -5.057 -6.151 -1.453 1.00 0.62 C ATOM 214 CG GLN A 13 -4.029 -7.193 -1.901 1.00 0.82 C ATOM 215 CD GLN A 13 -4.597 -8.056 -2.929 1.00 1.48 C ATOM 216 OE1 GLN A 13 -5.578 -8.777 -2.646 1.00 2.34 O ATOM 217 NE2 GLN A 13 -4.055 -8.115 -4.152 1.00 2.04 N ATOM 0 H GLN A 13 -4.993 -7.359 0.570 1.00 0.67 H new ATOM 0 HA GLN A 13 -3.578 -4.977 -0.362 1.00 0.57 H new ATOM 0 HB2 GLN A 13 -6.025 -6.617 -1.268 1.00 0.62 H new ATOM 0 HB3 GLN A 13 -5.208 -5.399 -2.227 1.00 0.62 H new ATOM 0 HG2 GLN A 13 -3.140 -6.694 -2.286 1.00 0.82 H new ATOM 0 HG3 GLN A 13 -3.713 -7.793 -1.047 1.00 0.82 H new ATOM 0 HE21 GLN A 13 -3.254 -7.527 -4.384 1.00 2.04 H new ATOM 0 HE22 GLN A 13 -4.443 -8.748 -4.852 1.00 2.04 H new ATOM 226 N LYS A 14 -6.194 -4.826 1.435 1.00 0.57 N ATOM 227 CA LYS A 14 -6.995 -3.844 2.055 1.00 0.57 C ATOM 228 C LYS A 14 -6.086 -2.886 2.673 1.00 0.60 C ATOM 229 O LYS A 14 -6.260 -1.657 2.515 1.00 0.60 O ATOM 230 CB LYS A 14 -7.883 -4.489 3.124 1.00 0.65 C ATOM 231 CG LYS A 14 -9.062 -5.195 2.448 1.00 0.67 C ATOM 232 CD LYS A 14 -9.843 -6.037 3.462 1.00 1.04 C ATOM 233 CE LYS A 14 -10.225 -5.184 4.672 1.00 1.36 C ATOM 234 NZ LYS A 14 -10.938 -6.008 5.646 1.00 1.71 N ATOM 0 H LYS A 14 -6.244 -5.751 1.862 1.00 0.57 H new ATOM 0 HA LYS A 14 -7.645 -3.355 1.330 1.00 0.57 H new ATOM 0 HB2 LYS A 14 -7.305 -5.203 3.710 1.00 0.65 H new ATOM 0 HB3 LYS A 14 -8.248 -3.730 3.816 1.00 0.65 H new ATOM 0 HG2 LYS A 14 -9.723 -4.456 1.995 1.00 0.67 H new ATOM 0 HG3 LYS A 14 -8.697 -5.833 1.643 1.00 0.67 H new ATOM 0 HD2 LYS A 14 -10.741 -6.442 2.995 1.00 1.04 H new ATOM 0 HD3 LYS A 14 -9.240 -6.886 3.782 1.00 1.04 H new ATOM 0 HE2 LYS A 14 -9.331 -4.758 5.126 1.00 1.36 H new ATOM 0 HE3 LYS A 14 -10.852 -4.349 4.358 1.00 1.36 H new ATOM 0 HZ1 LYS A 14 -11.197 -5.427 6.469 1.00 1.71 H new ATOM 0 HZ2 LYS A 14 -11.799 -6.394 5.210 1.00 1.71 H new ATOM 0 HZ3 LYS A 14 -10.325 -6.790 5.954 1.00 1.71 H new ATOM 248 N LYS A 15 -5.060 -3.361 3.395 1.00 0.68 N ATOM 249 CA LYS A 15 -4.100 -2.502 3.967 1.00 0.73 C ATOM 250 C LYS A 15 -3.400 -1.757 2.928 1.00 0.66 C ATOM 251 O LYS A 15 -3.248 -0.526 3.065 1.00 0.70 O ATOM 252 CB LYS A 15 -3.047 -3.333 4.696 1.00 0.82 C ATOM 253 CG LYS A 15 -3.684 -4.111 5.845 1.00 0.97 C ATOM 254 CD LYS A 15 -2.587 -4.890 6.569 1.00 1.51 C ATOM 255 CE LYS A 15 -2.080 -6.032 5.685 1.00 1.07 C ATOM 256 NZ LYS A 15 -1.417 -5.497 4.495 1.00 1.94 N ATOM 0 H LYS A 15 -4.903 -4.352 3.579 1.00 0.68 H new ATOM 0 HA LYS A 15 -4.617 -1.823 4.645 1.00 0.73 H new ATOM 0 HB2 LYS A 15 -2.574 -4.024 3.999 1.00 0.82 H new ATOM 0 HB3 LYS A 15 -2.263 -2.681 5.081 1.00 0.82 H new ATOM 0 HG2 LYS A 15 -4.182 -3.429 6.534 1.00 0.97 H new ATOM 0 HG3 LYS A 15 -4.445 -4.793 5.465 1.00 0.97 H new ATOM 0 HD2 LYS A 15 -1.763 -4.223 6.822 1.00 1.51 H new ATOM 0 HD3 LYS A 15 -2.973 -5.290 7.507 1.00 1.51 H new ATOM 0 HE2 LYS A 15 -1.385 -6.655 6.248 1.00 1.07 H new ATOM 0 HE3 LYS A 15 -2.913 -6.670 5.390 1.00 1.07 H new ATOM 0 HZ1 LYS A 15 -0.721 -6.187 4.145 1.00 1.94 H new ATOM 0 HZ2 LYS A 15 -2.125 -5.314 3.756 1.00 1.94 H new ATOM 0 HZ3 LYS A 15 -0.933 -4.609 4.737 1.00 1.94 H new ATOM 270 N ALA A 16 -2.917 -2.395 1.850 1.00 0.58 N ATOM 271 CA ALA A 16 -2.171 -1.721 0.855 1.00 0.53 C ATOM 272 C ALA A 16 -2.844 -0.521 0.364 1.00 0.50 C ATOM 273 O ALA A 16 -2.205 0.551 0.277 1.00 0.60 O ATOM 274 CB ALA A 16 -1.975 -2.672 -0.327 1.00 0.46 C ATOM 0 H ALA A 16 -3.049 -3.391 1.673 1.00 0.58 H new ATOM 0 HA ALA A 16 -1.224 -1.416 1.301 1.00 0.53 H new ATOM 0 HB1 ALA A 16 -1.401 -2.170 -1.106 1.00 0.46 H new ATOM 0 HB2 ALA A 16 -1.437 -3.560 0.006 1.00 0.46 H new ATOM 0 HB3 ALA A 16 -2.947 -2.965 -0.724 1.00 0.46 H new ATOM 280 N LEU A 17 -4.135 -0.543 0.005 1.00 0.44 N ATOM 281 CA LEU A 17 -4.732 0.641 -0.480 1.00 0.46 C ATOM 282 C LEU A 17 -4.854 1.651 0.570 1.00 0.57 C ATOM 283 O LEU A 17 -4.984 2.848 0.234 1.00 0.71 O ATOM 284 CB LEU A 17 -6.122 0.341 -1.042 1.00 0.42 C ATOM 285 CG LEU A 17 -6.021 -0.015 -2.528 1.00 0.36 C ATOM 286 CD1 LEU A 17 -5.056 -1.185 -2.721 1.00 0.39 C ATOM 287 CD2 LEU A 17 -7.404 -0.398 -3.058 1.00 0.38 C ATOM 0 H LEU A 17 -4.746 -1.359 0.050 1.00 0.44 H new ATOM 0 HA LEU A 17 -4.086 1.031 -1.267 1.00 0.46 H new ATOM 0 HB2 LEU A 17 -6.575 -0.484 -0.492 1.00 0.42 H new ATOM 0 HB3 LEU A 17 -6.771 1.207 -0.910 1.00 0.42 H new ATOM 0 HG LEU A 17 -5.647 0.849 -3.077 1.00 0.36 H new ATOM 0 HD11 LEU A 17 -4.990 -1.431 -3.781 1.00 0.39 H new ATOM 0 HD12 LEU A 17 -4.069 -0.907 -2.351 1.00 0.39 H new ATOM 0 HD13 LEU A 17 -5.420 -2.052 -2.169 1.00 0.39 H new ATOM 0 HD21 LEU A 17 -7.331 -0.651 -4.116 1.00 0.38 H new ATOM 0 HD22 LEU A 17 -7.781 -1.258 -2.504 1.00 0.38 H new ATOM 0 HD23 LEU A 17 -8.087 0.442 -2.932 1.00 0.38 H new ATOM 299 N ASP A 18 -4.805 1.334 1.875 1.00 0.59 N ATOM 300 CA ASP A 18 -4.909 2.339 2.864 1.00 0.70 C ATOM 301 C ASP A 18 -3.724 3.194 2.894 1.00 0.73 C ATOM 302 O ASP A 18 -3.729 4.225 3.602 1.00 0.82 O ATOM 303 CB ASP A 18 -5.084 1.710 4.249 1.00 0.76 C ATOM 304 CG ASP A 18 -5.310 2.766 5.233 1.00 0.97 C ATOM 305 OD1 ASP A 18 -4.449 3.657 5.400 1.00 1.24 O ATOM 306 OD2 ASP A 18 -6.354 2.776 5.920 1.00 1.76 O ATOM 0 H ASP A 18 -4.694 0.386 2.235 1.00 0.59 H new ATOM 0 HA ASP A 18 -5.779 2.945 2.609 1.00 0.70 H new ATOM 0 HB2 ASP A 18 -5.925 1.017 4.243 1.00 0.76 H new ATOM 0 HB3 ASP A 18 -4.198 1.134 4.514 1.00 0.76 H new ATOM 311 N LEU A 19 -2.625 2.886 2.192 1.00 0.68 N ATOM 312 CA LEU A 19 -1.507 3.737 2.254 1.00 0.70 C ATOM 313 C LEU A 19 -1.649 4.829 1.295 1.00 0.71 C ATOM 314 O LEU A 19 -0.811 5.756 1.322 1.00 0.85 O ATOM 315 CB LEU A 19 -0.238 2.959 1.893 1.00 0.60 C ATOM 316 CG LEU A 19 0.238 2.115 3.078 1.00 0.67 C ATOM 317 CD1 LEU A 19 -0.778 1.016 3.381 1.00 1.15 C ATOM 318 CD2 LEU A 19 1.584 1.472 2.737 1.00 0.69 C ATOM 0 H LEU A 19 -2.519 2.064 1.597 1.00 0.68 H new ATOM 0 HA LEU A 19 -1.438 4.132 3.267 1.00 0.70 H new ATOM 0 HB2 LEU A 19 -0.433 2.314 1.036 1.00 0.60 H new ATOM 0 HB3 LEU A 19 0.548 3.654 1.597 1.00 0.60 H new ATOM 0 HG LEU A 19 0.344 2.759 3.951 1.00 0.67 H new ATOM 0 HD11 LEU A 19 -0.430 0.421 4.226 1.00 1.15 H new ATOM 0 HD12 LEU A 19 -1.739 1.467 3.627 1.00 1.15 H new ATOM 0 HD13 LEU A 19 -0.891 0.374 2.507 1.00 1.15 H new ATOM 0 HD21 LEU A 19 1.924 0.871 3.580 1.00 0.69 H new ATOM 0 HD22 LEU A 19 1.471 0.835 1.859 1.00 0.69 H new ATOM 0 HD23 LEU A 19 2.317 2.251 2.528 1.00 0.69 H new ATOM 330 N ALA A 20 -2.642 4.863 0.392 1.00 0.62 N ATOM 331 CA ALA A 20 -2.662 5.914 -0.548 1.00 0.70 C ATOM 332 C ALA A 20 -3.652 6.939 -0.231 1.00 0.84 C ATOM 333 O ALA A 20 -3.236 8.068 0.106 1.00 1.21 O ATOM 334 CB ALA A 20 -2.995 5.335 -1.923 1.00 0.72 C ATOM 0 H ALA A 20 -3.401 4.186 0.319 1.00 0.62 H new ATOM 0 HA ALA A 20 -1.679 6.384 -0.530 1.00 0.70 H new ATOM 0 HB1 ALA A 20 -3.014 6.137 -2.661 1.00 0.72 H new ATOM 0 HB2 ALA A 20 -2.238 4.603 -2.203 1.00 0.72 H new ATOM 0 HB3 ALA A 20 -3.971 4.852 -1.888 1.00 0.72 H new ATOM 340 N PHE A 21 -4.965 6.654 -0.289 1.00 0.88 N ATOM 341 CA PHE A 21 -5.975 7.620 -0.048 1.00 1.18 C ATOM 342 C PHE A 21 -5.546 8.995 -0.301 1.00 1.61 C ATOM 343 O PHE A 21 -5.337 9.350 -1.483 1.00 2.22 O ATOM 344 CB PHE A 21 -6.561 7.443 1.353 1.00 1.29 C ATOM 345 CG PHE A 21 -7.439 6.278 1.309 1.00 1.16 C ATOM 346 CD1 PHE A 21 -6.906 5.004 1.165 1.00 1.41 C ATOM 347 CD2 PHE A 21 -8.815 6.449 1.400 1.00 1.63 C ATOM 348 CE1 PHE A 21 -7.751 3.904 1.074 1.00 1.60 C ATOM 349 CE2 PHE A 21 -9.658 5.347 1.313 1.00 1.73 C ATOM 350 CZ PHE A 21 -9.127 4.075 1.141 1.00 1.50 C ATOM 0 H PHE A 21 -5.327 5.726 -0.510 1.00 0.88 H new ATOM 0 HA PHE A 21 -6.765 7.438 -0.776 1.00 1.18 H new ATOM 0 HB2 PHE A 21 -5.768 7.300 2.087 1.00 1.29 H new ATOM 0 HB3 PHE A 21 -7.116 8.332 1.653 1.00 1.29 H new ATOM 0 HD1 PHE A 21 -5.835 4.868 1.124 1.00 1.41 H new ATOM 0 HD2 PHE A 21 -9.229 7.437 1.538 1.00 1.63 H new ATOM 0 HE1 PHE A 21 -7.336 2.914 0.951 1.00 1.60 H new ATOM 0 HE2 PHE A 21 -10.728 5.480 1.379 1.00 1.73 H new ATOM 0 HZ PHE A 21 -9.783 3.221 1.060 1.00 1.50 H new ATOM 360 N TYR A 22 -5.421 9.871 0.710 1.00 1.98 N ATOM 361 CA TYR A 22 -5.052 11.209 0.449 1.00 2.50 C ATOM 362 C TYR A 22 -6.118 11.761 -0.384 1.00 2.37 C ATOM 363 O TYR A 22 -7.297 11.694 0.025 1.00 2.86 O ATOM 364 CB TYR A 22 -3.659 11.269 -0.192 1.00 3.05 C ATOM 365 CG TYR A 22 -3.121 12.628 -0.166 1.00 4.37 C ATOM 366 CD1 TYR A 22 -2.923 13.266 1.053 1.00 4.57 C ATOM 367 CD2 TYR A 22 -2.755 13.265 -1.347 1.00 4.86 C ATOM 368 CE1 TYR A 22 -2.380 14.545 1.091 1.00 5.05 C ATOM 369 CE2 TYR A 22 -2.210 14.543 -1.310 1.00 5.31 C ATOM 370 CZ TYR A 22 -2.026 15.185 -0.091 1.00 5.70 C ATOM 371 OH TYR A 22 -1.506 16.431 -0.051 1.00 5.94 O ATOM 0 H TYR A 22 -5.575 9.649 1.693 1.00 1.98 H new ATOM 0 HA TYR A 22 -4.958 11.808 1.355 1.00 2.50 H new ATOM 0 HB2 TYR A 22 -2.983 10.598 0.338 1.00 3.05 H new ATOM 0 HB3 TYR A 22 -3.715 10.917 -1.222 1.00 3.05 H new ATOM 0 HD1 TYR A 22 -3.192 12.767 1.972 1.00 4.57 H new ATOM 0 HD2 TYR A 22 -2.895 12.766 -2.294 1.00 4.86 H new ATOM 0 HE1 TYR A 22 -2.233 15.041 2.039 1.00 5.05 H new ATOM 0 HE2 TYR A 22 -1.929 15.037 -2.228 1.00 5.31 H new ATOM 0 HH TYR A 22 -1.312 16.734 -0.963 1.00 5.94 H new ATOM 381 N PHE A 23 -5.864 12.350 -1.559 1.00 2.53 N ATOM 382 CA PHE A 23 -6.932 12.831 -2.339 1.00 3.15 C ATOM 383 C PHE A 23 -6.841 12.170 -3.634 1.00 3.06 C ATOM 384 O PHE A 23 -7.769 11.426 -4.020 1.00 3.59 O ATOM 385 CB PHE A 23 -6.804 14.344 -2.513 1.00 3.86 C ATOM 386 CG PHE A 23 -6.871 14.969 -1.197 1.00 4.35 C ATOM 387 CD1 PHE A 23 -8.072 14.994 -0.498 1.00 5.12 C ATOM 388 CD2 PHE A 23 -5.734 15.552 -0.650 1.00 4.54 C ATOM 389 CE1 PHE A 23 -8.130 15.580 0.760 1.00 5.84 C ATOM 390 CE2 PHE A 23 -5.792 16.137 0.609 1.00 5.32 C ATOM 391 CZ PHE A 23 -6.989 16.147 1.316 1.00 6.77 C ATOM 0 H PHE A 23 -4.935 12.488 -1.956 1.00 2.53 H new ATOM 0 HA PHE A 23 -7.891 12.625 -1.864 1.00 3.15 H new ATOM 0 HB2 PHE A 23 -5.861 14.591 -3.002 1.00 3.86 H new ATOM 0 HB3 PHE A 23 -7.603 14.721 -3.152 1.00 3.86 H new ATOM 0 HD1 PHE A 23 -8.959 14.558 -0.933 1.00 5.12 H new ATOM 0 HD2 PHE A 23 -4.806 15.550 -1.203 1.00 4.54 H new ATOM 0 HE1 PHE A 23 -9.062 15.595 1.306 1.00 5.84 H new ATOM 0 HE2 PHE A 23 -4.907 16.584 1.038 1.00 5.32 H new ATOM 0 HZ PHE A 23 -7.032 16.595 2.298 1.00 6.77 H new ATOM 401 N ASP A 24 -5.754 12.344 -4.397 1.00 2.69 N ATOM 402 CA ASP A 24 -5.626 11.633 -5.606 1.00 2.83 C ATOM 403 C ASP A 24 -4.342 10.936 -5.597 1.00 2.45 C ATOM 404 O ASP A 24 -3.564 11.095 -6.561 1.00 2.75 O ATOM 405 CB ASP A 24 -5.665 12.599 -6.793 1.00 3.31 C ATOM 406 CG ASP A 24 -6.966 13.258 -6.857 1.00 3.96 C ATOM 407 OD1 ASP A 24 -8.007 12.578 -6.985 1.00 4.50 O ATOM 408 OD2 ASP A 24 -7.039 14.505 -6.795 1.00 4.25 O ATOM 0 H ASP A 24 -4.979 12.969 -4.175 1.00 2.69 H new ATOM 0 HA ASP A 24 -6.448 10.923 -5.702 1.00 2.83 H new ATOM 0 HB2 ASP A 24 -4.875 13.344 -6.693 1.00 3.31 H new ATOM 0 HB3 ASP A 24 -5.476 12.057 -7.720 1.00 3.31 H new ATOM 413 N ARG A 25 -3.979 10.181 -4.548 1.00 2.47 N ATOM 414 CA ARG A 25 -2.735 9.511 -4.550 1.00 2.98 C ATOM 415 C ARG A 25 -2.753 8.395 -5.494 1.00 2.31 C ATOM 416 O ARG A 25 -1.965 8.376 -6.466 1.00 2.72 O ATOM 417 CB ARG A 25 -2.433 8.999 -3.141 1.00 4.09 C ATOM 418 CG ARG A 25 -1.009 8.443 -3.093 1.00 4.69 C ATOM 419 CD ARG A 25 -0.016 9.605 -3.166 1.00 5.33 C ATOM 420 NE ARG A 25 0.085 10.052 -4.500 1.00 5.75 N ATOM 421 CZ ARG A 25 0.796 11.151 -4.790 1.00 6.57 C ATOM 422 NH1 ARG A 25 1.407 11.835 -3.813 1.00 7.02 N ATOM 423 NH2 ARG A 25 0.897 11.568 -6.059 1.00 7.21 N ATOM 0 H ARG A 25 -4.545 10.040 -3.711 1.00 2.47 H new ATOM 0 HA ARG A 25 -1.957 10.209 -4.860 1.00 2.98 H new ATOM 0 HB2 ARG A 25 -2.544 9.807 -2.418 1.00 4.09 H new ATOM 0 HB3 ARG A 25 -3.147 8.223 -2.864 1.00 4.09 H new ATOM 0 HG2 ARG A 25 -0.857 7.876 -2.175 1.00 4.69 H new ATOM 0 HG3 ARG A 25 -0.845 7.756 -3.923 1.00 4.69 H new ATOM 0 HD2 ARG A 25 -0.345 10.420 -2.522 1.00 5.33 H new ATOM 0 HD3 ARG A 25 0.961 9.286 -2.803 1.00 5.33 H new ATOM 0 HE ARG A 25 -0.384 9.538 -5.246 1.00 5.75 H new ATOM 0 HH11 ARG A 25 1.332 11.520 -2.846 1.00 7.02 H new ATOM 0 HH12 ARG A 25 1.947 12.671 -4.037 1.00 7.02 H new ATOM 0 HH21 ARG A 25 0.433 11.049 -6.805 1.00 7.21 H new ATOM 0 HH22 ARG A 25 1.438 12.404 -6.280 1.00 7.21 H new ATOM 437 N ARG A 26 -3.606 7.379 -5.304 1.00 1.76 N ATOM 438 CA ARG A 26 -3.669 6.319 -6.232 1.00 1.34 C ATOM 439 C ARG A 26 -5.071 6.074 -6.557 1.00 1.20 C ATOM 440 O ARG A 26 -5.568 4.966 -6.261 1.00 2.05 O ATOM 441 CB ARG A 26 -3.148 5.015 -5.622 1.00 2.02 C ATOM 442 CG ARG A 26 -1.703 5.129 -5.136 1.00 2.50 C ATOM 443 CD ARG A 26 -0.730 5.313 -6.301 1.00 2.91 C ATOM 444 NE ARG A 26 0.587 5.238 -5.801 1.00 3.64 N ATOM 445 CZ ARG A 26 1.522 6.103 -6.216 1.00 4.57 C ATOM 446 NH1 ARG A 26 1.187 7.098 -7.049 1.00 5.01 N ATOM 447 NH2 ARG A 26 2.788 5.984 -5.790 1.00 5.37 N ATOM 0 H ARG A 26 -4.244 7.298 -4.512 1.00 1.76 H new ATOM 0 HA ARG A 26 -3.071 6.598 -7.099 1.00 1.34 H new ATOM 0 HB2 ARG A 26 -3.787 4.728 -4.787 1.00 2.02 H new ATOM 0 HB3 ARG A 26 -3.216 4.219 -6.363 1.00 2.02 H new ATOM 0 HG2 ARG A 26 -1.614 5.972 -4.451 1.00 2.50 H new ATOM 0 HG3 ARG A 26 -1.435 4.233 -4.576 1.00 2.50 H new ATOM 0 HD2 ARG A 26 -0.893 4.544 -7.056 1.00 2.91 H new ATOM 0 HD3 ARG A 26 -0.897 6.275 -6.785 1.00 2.91 H new ATOM 0 HE ARG A 26 0.829 4.520 -5.118 1.00 3.64 H new ATOM 0 HH11 ARG A 26 0.222 7.195 -7.365 1.00 5.01 H new ATOM 0 HH12 ARG A 26 1.897 7.758 -7.367 1.00 5.01 H new ATOM 0 HH21 ARG A 26 3.042 5.233 -5.148 1.00 5.37 H new ATOM 0 HH22 ARG A 26 3.497 6.644 -6.108 1.00 5.37 H new ATOM 461 N LEU A 27 -5.840 6.997 -7.150 1.00 0.90 N ATOM 462 CA LEU A 27 -7.203 6.693 -7.350 1.00 0.73 C ATOM 463 C LEU A 27 -7.664 7.093 -8.677 1.00 0.78 C ATOM 464 O LEU A 27 -8.874 6.976 -8.963 1.00 1.03 O ATOM 465 CB LEU A 27 -8.001 7.430 -6.269 1.00 0.72 C ATOM 466 CG LEU A 27 -9.442 6.917 -6.207 1.00 0.80 C ATOM 467 CD1 LEU A 27 -10.277 7.500 -7.348 1.00 1.23 C ATOM 468 CD2 LEU A 27 -9.448 5.388 -6.296 1.00 0.86 C ATOM 0 H LEU A 27 -5.531 7.913 -7.476 1.00 0.90 H new ATOM 0 HA LEU A 27 -7.347 5.615 -7.282 1.00 0.73 H new ATOM 0 HB2 LEU A 27 -7.520 7.293 -5.300 1.00 0.72 H new ATOM 0 HB3 LEU A 27 -8.000 8.500 -6.477 1.00 0.72 H new ATOM 0 HG LEU A 27 -9.881 7.233 -5.260 1.00 0.80 H new ATOM 0 HD11 LEU A 27 -11.297 7.121 -7.283 1.00 1.23 H new ATOM 0 HD12 LEU A 27 -10.288 8.587 -7.272 1.00 1.23 H new ATOM 0 HD13 LEU A 27 -9.842 7.208 -8.304 1.00 1.23 H new ATOM 0 HD21 LEU A 27 -10.475 5.025 -6.252 1.00 0.86 H new ATOM 0 HD22 LEU A 27 -8.993 5.076 -7.236 1.00 0.86 H new ATOM 0 HD23 LEU A 27 -8.880 4.973 -5.463 1.00 0.86 H new ATOM 480 N THR A 28 -6.818 7.538 -9.616 1.00 0.82 N ATOM 481 CA THR A 28 -7.339 7.908 -10.874 1.00 0.94 C ATOM 482 C THR A 28 -7.072 6.811 -11.799 1.00 0.88 C ATOM 483 O THR A 28 -6.355 5.871 -11.402 1.00 0.81 O ATOM 484 CB THR A 28 -6.671 9.206 -11.334 1.00 1.13 C ATOM 485 OG1 THR A 28 -5.304 8.961 -11.624 1.00 1.31 O ATOM 486 CG2 THR A 28 -6.769 10.239 -10.209 1.00 1.26 C ATOM 0 H THR A 28 -5.809 7.637 -9.506 1.00 0.82 H new ATOM 0 HA THR A 28 -8.413 8.088 -10.828 1.00 0.94 H new ATOM 0 HB THR A 28 -7.170 9.578 -12.229 1.00 1.13 H new ATOM 0 HG1 THR A 28 -4.878 9.793 -11.920 1.00 1.31 H new ATOM 0 HG21 THR A 28 -6.296 11.168 -10.526 1.00 1.26 H new ATOM 0 HG22 THR A 28 -7.817 10.426 -9.977 1.00 1.26 H new ATOM 0 HG23 THR A 28 -6.264 9.859 -9.321 1.00 1.26 H new ATOM 494 N PRO A 29 -7.602 6.760 -13.032 1.00 0.93 N ATOM 495 CA PRO A 29 -7.370 5.680 -13.920 1.00 0.90 C ATOM 496 C PRO A 29 -5.992 5.321 -14.081 1.00 0.83 C ATOM 497 O PRO A 29 -5.688 4.140 -14.143 1.00 0.82 O ATOM 498 CB PRO A 29 -7.946 6.186 -15.243 1.00 1.01 C ATOM 499 CG PRO A 29 -9.065 7.120 -14.788 1.00 1.11 C ATOM 500 CD PRO A 29 -8.485 7.765 -13.529 1.00 1.07 C ATOM 0 HA PRO A 29 -7.827 4.766 -13.539 1.00 0.90 H new ATOM 0 HB2 PRO A 29 -7.197 6.711 -15.836 1.00 1.01 H new ATOM 0 HB3 PRO A 29 -8.325 5.370 -15.858 1.00 1.01 H new ATOM 0 HG2 PRO A 29 -9.304 7.863 -15.548 1.00 1.11 H new ATOM 0 HG3 PRO A 29 -9.984 6.574 -14.575 1.00 1.11 H new ATOM 0 HD2 PRO A 29 -7.956 8.690 -13.757 1.00 1.07 H new ATOM 0 HD3 PRO A 29 -9.263 8.012 -12.807 1.00 1.07 H new ATOM 508 N GLU A 30 -5.048 6.229 -14.125 1.00 0.83 N ATOM 509 CA GLU A 30 -3.704 5.835 -14.311 1.00 0.81 C ATOM 510 C GLU A 30 -3.119 5.319 -13.074 1.00 0.79 C ATOM 511 O GLU A 30 -1.989 4.786 -13.109 1.00 0.85 O ATOM 512 CB GLU A 30 -2.888 7.028 -14.807 1.00 0.89 C ATOM 513 CG GLU A 30 -3.468 7.515 -16.137 1.00 1.46 C ATOM 514 CD GLU A 30 -3.284 6.486 -17.157 1.00 2.09 C ATOM 515 OE1 GLU A 30 -3.820 5.365 -17.019 1.00 2.62 O ATOM 516 OE2 GLU A 30 -2.595 6.728 -18.172 1.00 2.72 O ATOM 0 H GLU A 30 -5.199 7.234 -14.034 1.00 0.83 H new ATOM 0 HA GLU A 30 -3.684 5.035 -15.051 1.00 0.81 H new ATOM 0 HB2 GLU A 30 -2.911 7.831 -14.070 1.00 0.89 H new ATOM 0 HB3 GLU A 30 -1.844 6.742 -14.935 1.00 0.89 H new ATOM 0 HG2 GLU A 30 -4.528 7.742 -16.022 1.00 1.46 H new ATOM 0 HG3 GLU A 30 -2.976 8.438 -16.444 1.00 1.46 H new ATOM 523 N TRP A 31 -3.777 5.406 -11.909 1.00 0.78 N ATOM 524 CA TRP A 31 -3.239 4.832 -10.742 1.00 0.79 C ATOM 525 C TRP A 31 -4.055 3.679 -10.363 1.00 0.70 C ATOM 526 O TRP A 31 -3.700 2.949 -9.414 1.00 0.71 O ATOM 527 CB TRP A 31 -3.200 5.839 -9.596 1.00 0.93 C ATOM 528 CG TRP A 31 -2.302 6.941 -9.927 1.00 1.38 C ATOM 529 CD1 TRP A 31 -2.641 8.278 -10.112 1.00 2.29 C ATOM 530 CD2 TRP A 31 -0.936 6.859 -10.147 1.00 1.67 C ATOM 531 NE1 TRP A 31 -1.530 8.971 -10.425 1.00 2.57 N ATOM 532 CE2 TRP A 31 -0.489 8.126 -10.452 1.00 2.12 C ATOM 533 CE3 TRP A 31 -0.079 5.772 -10.100 1.00 2.37 C ATOM 534 CZ2 TRP A 31 0.848 8.368 -10.729 1.00 2.59 C ATOM 535 CZ3 TRP A 31 1.267 6.000 -10.380 1.00 3.11 C ATOM 536 CH2 TRP A 31 1.724 7.283 -10.691 1.00 3.01 C ATOM 0 H TRP A 31 -4.675 5.873 -11.785 1.00 0.78 H new ATOM 0 HA TRP A 31 -2.215 4.519 -10.945 1.00 0.79 H new ATOM 0 HB2 TRP A 31 -4.202 6.222 -9.404 1.00 0.93 H new ATOM 0 HB3 TRP A 31 -2.865 5.349 -8.682 1.00 0.93 H new ATOM 0 HD1 TRP A 31 -3.634 8.692 -10.020 1.00 2.29 H new ATOM 0 HE1 TRP A 31 -1.487 9.973 -10.611 1.00 2.57 H new ATOM 0 HE3 TRP A 31 -0.441 4.784 -9.855 1.00 2.37 H new ATOM 0 HZ2 TRP A 31 1.199 9.362 -10.966 1.00 2.59 H new ATOM 0 HZ3 TRP A 31 1.964 5.176 -10.356 1.00 3.11 H new ATOM 0 HH2 TRP A 31 2.771 7.437 -10.905 1.00 3.01 H new ATOM 547 N ARG A 32 -5.175 3.395 -11.045 1.00 0.69 N ATOM 548 CA ARG A 32 -5.915 2.230 -10.752 1.00 0.62 C ATOM 549 C ARG A 32 -5.262 1.163 -11.500 1.00 0.61 C ATOM 550 O ARG A 32 -4.950 0.099 -10.928 1.00 0.60 O ATOM 551 CB ARG A 32 -7.359 2.381 -11.237 1.00 0.66 C ATOM 552 CG ARG A 32 -8.097 3.440 -10.415 1.00 0.89 C ATOM 553 CD ARG A 32 -9.429 3.746 -11.104 1.00 0.80 C ATOM 554 NE ARG A 32 -10.012 4.906 -10.552 1.00 0.83 N ATOM 555 CZ ARG A 32 -11.184 5.351 -11.025 1.00 0.85 C ATOM 556 NH1 ARG A 32 -11.811 4.682 -12.004 1.00 0.82 N ATOM 557 NH2 ARG A 32 -11.727 6.469 -10.525 1.00 0.97 N ATOM 0 H ARG A 32 -5.559 3.973 -11.793 1.00 0.69 H new ATOM 0 HA ARG A 32 -5.945 2.031 -9.681 1.00 0.62 H new ATOM 0 HB2 ARG A 32 -7.367 2.660 -12.291 1.00 0.66 H new ATOM 0 HB3 ARG A 32 -7.877 1.425 -11.157 1.00 0.66 H new ATOM 0 HG2 ARG A 32 -8.269 3.081 -9.400 1.00 0.89 H new ATOM 0 HG3 ARG A 32 -7.495 4.345 -10.335 1.00 0.89 H new ATOM 0 HD2 ARG A 32 -9.269 3.885 -12.173 1.00 0.80 H new ATOM 0 HD3 ARG A 32 -10.108 2.901 -10.990 1.00 0.80 H new ATOM 0 HE ARG A 32 -9.543 5.404 -9.796 1.00 0.83 H new ATOM 0 HH11 ARG A 32 -11.396 3.834 -12.389 1.00 0.82 H new ATOM 0 HH12 ARG A 32 -12.703 5.022 -12.363 1.00 0.82 H new ATOM 0 HH21 ARG A 32 -11.248 6.981 -9.784 1.00 0.97 H new ATOM 0 HH22 ARG A 32 -12.619 6.808 -10.885 1.00 0.97 H new ATOM 571 N ARG A 33 -4.963 1.386 -12.789 1.00 0.66 N ATOM 572 CA ARG A 33 -4.270 0.446 -13.583 1.00 0.69 C ATOM 573 C ARG A 33 -2.960 0.165 -12.999 1.00 0.72 C ATOM 574 O ARG A 33 -2.531 -1.008 -12.953 1.00 0.73 O ATOM 575 CB ARG A 33 -4.072 1.064 -14.968 1.00 0.80 C ATOM 576 CG ARG A 33 -3.327 0.083 -15.874 1.00 1.16 C ATOM 577 CD ARG A 33 -3.188 0.696 -17.269 1.00 1.14 C ATOM 578 NE ARG A 33 -2.466 -0.182 -18.102 1.00 1.66 N ATOM 579 CZ ARG A 33 -2.205 0.162 -19.370 1.00 2.23 C ATOM 580 NH1 ARG A 33 -2.632 1.340 -19.847 1.00 2.26 N ATOM 581 NH2 ARG A 33 -1.517 -0.670 -20.163 1.00 3.10 N ATOM 0 H ARG A 33 -5.212 2.242 -13.284 1.00 0.66 H new ATOM 0 HA ARG A 33 -4.837 -0.483 -13.643 1.00 0.69 H new ATOM 0 HB2 ARG A 33 -5.038 1.315 -15.406 1.00 0.80 H new ATOM 0 HB3 ARG A 33 -3.510 1.994 -14.884 1.00 0.80 H new ATOM 0 HG2 ARG A 33 -2.343 -0.138 -15.460 1.00 1.16 H new ATOM 0 HG3 ARG A 33 -3.868 -0.862 -15.931 1.00 1.16 H new ATOM 0 HD2 ARG A 33 -4.174 0.887 -17.693 1.00 1.14 H new ATOM 0 HD3 ARG A 33 -2.676 1.656 -17.206 1.00 1.14 H new ATOM 0 HE ARG A 33 -2.142 -1.079 -17.740 1.00 1.66 H new ATOM 0 HH11 ARG A 33 -3.156 1.975 -19.244 1.00 2.26 H new ATOM 0 HH12 ARG A 33 -2.433 1.602 -20.813 1.00 2.26 H new ATOM 0 HH21 ARG A 33 -1.191 -1.566 -19.801 1.00 3.10 H new ATOM 0 HH22 ARG A 33 -1.319 -0.407 -21.128 1.00 3.10 H new ATOM 595 N TYR A 34 -2.243 1.189 -12.513 1.00 0.74 N ATOM 596 CA TYR A 34 -0.982 1.022 -11.898 1.00 0.77 C ATOM 597 C TYR A 34 -1.025 0.007 -10.850 1.00 0.65 C ATOM 598 O TYR A 34 -0.106 -0.838 -10.770 1.00 0.68 O ATOM 599 CB TYR A 34 -0.628 2.360 -11.248 1.00 0.84 C ATOM 600 CG TYR A 34 0.577 2.258 -10.432 1.00 0.87 C ATOM 601 CD1 TYR A 34 1.829 2.104 -11.018 1.00 1.37 C ATOM 602 CD2 TYR A 34 0.462 2.362 -9.051 1.00 1.24 C ATOM 603 CE1 TYR A 34 2.966 2.062 -10.218 1.00 1.65 C ATOM 604 CE2 TYR A 34 1.597 2.316 -8.252 1.00 1.18 C ATOM 605 CZ TYR A 34 2.849 2.172 -8.837 1.00 1.19 C ATOM 606 OH TYR A 34 3.948 2.144 -8.055 1.00 1.43 O ATOM 0 H TYR A 34 -2.556 2.159 -12.552 1.00 0.74 H new ATOM 0 HA TYR A 34 -0.253 0.708 -12.645 1.00 0.77 H new ATOM 0 HB2 TYR A 34 -0.482 3.114 -12.022 1.00 0.84 H new ATOM 0 HB3 TYR A 34 -1.460 2.696 -10.629 1.00 0.84 H new ATOM 0 HD1 TYR A 34 1.918 2.017 -12.091 1.00 1.37 H new ATOM 0 HD2 TYR A 34 -0.512 2.479 -8.598 1.00 1.24 H new ATOM 0 HE1 TYR A 34 3.940 1.944 -10.670 1.00 1.65 H new ATOM 0 HE2 TYR A 34 1.507 2.392 -7.178 1.00 1.18 H new ATOM 0 HH TYR A 34 3.762 1.621 -7.247 1.00 1.43 H new ATOM 616 N LEU A 35 -2.029 -0.002 -9.962 1.00 0.56 N ATOM 617 CA LEU A 35 -2.063 -0.974 -8.943 1.00 0.49 C ATOM 618 C LEU A 35 -2.501 -2.259 -9.476 1.00 0.45 C ATOM 619 O LEU A 35 -1.817 -3.284 -9.271 1.00 0.46 O ATOM 620 CB LEU A 35 -3.072 -0.537 -7.880 1.00 0.58 C ATOM 621 CG LEU A 35 -2.579 0.737 -7.195 1.00 0.66 C ATOM 622 CD1 LEU A 35 -3.640 1.226 -6.207 1.00 1.03 C ATOM 623 CD2 LEU A 35 -1.274 0.440 -6.458 1.00 1.32 C ATOM 0 H LEU A 35 -2.805 0.660 -9.956 1.00 0.56 H new ATOM 0 HA LEU A 35 -1.063 -1.075 -8.522 1.00 0.49 H new ATOM 0 HB2 LEU A 35 -4.045 -0.362 -8.339 1.00 0.58 H new ATOM 0 HB3 LEU A 35 -3.205 -1.329 -7.143 1.00 0.58 H new ATOM 0 HG LEU A 35 -2.402 1.513 -7.940 1.00 0.66 H new ATOM 0 HD11 LEU A 35 -3.290 2.135 -5.717 1.00 1.03 H new ATOM 0 HD12 LEU A 35 -4.566 1.436 -6.742 1.00 1.03 H new ATOM 0 HD13 LEU A 35 -3.821 0.456 -5.457 1.00 1.03 H new ATOM 0 HD21 LEU A 35 -0.919 1.346 -5.968 1.00 1.32 H new ATOM 0 HD22 LEU A 35 -1.447 -0.333 -5.710 1.00 1.32 H new ATOM 0 HD23 LEU A 35 -0.524 0.095 -7.170 1.00 1.32 H new ATOM 635 N SER A 36 -3.615 -2.330 -10.217 1.00 0.47 N ATOM 636 CA SER A 36 -4.130 -3.569 -10.656 1.00 0.48 C ATOM 637 C SER A 36 -3.229 -4.302 -11.542 1.00 0.59 C ATOM 638 O SER A 36 -3.497 -5.494 -11.805 1.00 0.66 O ATOM 639 CB SER A 36 -5.427 -3.316 -11.424 1.00 0.52 C ATOM 640 OG SER A 36 -5.128 -2.604 -12.613 1.00 1.35 O ATOM 0 H SER A 36 -4.158 -1.518 -10.511 1.00 0.47 H new ATOM 0 HA SER A 36 -4.279 -4.175 -9.762 1.00 0.48 H new ATOM 0 HB2 SER A 36 -5.913 -4.262 -11.664 1.00 0.52 H new ATOM 0 HB3 SER A 36 -6.124 -2.746 -10.809 1.00 0.52 H new ATOM 0 HG SER A 36 -5.894 -2.648 -13.222 1.00 1.35 H new ATOM 646 N GLN A 37 -2.156 -3.719 -12.097 1.00 0.67 N ATOM 647 CA GLN A 37 -1.287 -4.452 -12.932 1.00 0.80 C ATOM 648 C GLN A 37 -0.691 -5.566 -12.196 1.00 0.75 C ATOM 649 O GLN A 37 -0.644 -6.703 -12.717 1.00 0.86 O ATOM 650 CB GLN A 37 -0.169 -3.527 -13.415 1.00 0.92 C ATOM 651 CG GLN A 37 0.746 -4.301 -14.368 1.00 1.09 C ATOM 652 CD GLN A 37 1.822 -3.429 -14.830 1.00 2.00 C ATOM 653 OE1 GLN A 37 1.881 -2.245 -14.435 1.00 2.72 O ATOM 654 NE2 GLN A 37 2.746 -3.902 -15.677 1.00 2.66 N ATOM 0 H GLN A 37 -1.898 -2.741 -11.963 1.00 0.67 H new ATOM 0 HA GLN A 37 -1.853 -4.845 -13.777 1.00 0.80 H new ATOM 0 HB2 GLN A 37 -0.592 -2.659 -13.922 1.00 0.92 H new ATOM 0 HB3 GLN A 37 0.403 -3.153 -12.566 1.00 0.92 H new ATOM 0 HG2 GLN A 37 1.162 -5.172 -13.862 1.00 1.09 H new ATOM 0 HG3 GLN A 37 0.173 -4.670 -15.219 1.00 1.09 H new ATOM 0 HE21 GLN A 37 2.696 -4.869 -15.998 1.00 2.66 H new ATOM 0 HE22 GLN A 37 3.499 -3.295 -16.001 1.00 2.66 H new ATOM 663 N ARG A 38 -0.175 -5.370 -10.974 1.00 0.65 N ATOM 664 CA ARG A 38 0.426 -6.446 -10.287 1.00 0.68 C ATOM 665 C ARG A 38 -0.209 -6.669 -8.988 1.00 0.59 C ATOM 666 O ARG A 38 0.209 -7.598 -8.265 1.00 0.65 O ATOM 667 CB ARG A 38 1.904 -6.125 -10.067 1.00 0.74 C ATOM 668 CG ARG A 38 2.601 -5.979 -11.420 1.00 1.20 C ATOM 669 CD ARG A 38 4.094 -5.727 -11.207 1.00 1.55 C ATOM 670 NE ARG A 38 4.700 -6.885 -10.678 1.00 1.76 N ATOM 671 CZ ARG A 38 5.992 -6.859 -10.323 1.00 2.41 C ATOM 672 NH1 ARG A 38 6.701 -5.731 -10.464 1.00 2.88 N ATOM 673 NH2 ARG A 38 6.573 -7.960 -9.830 1.00 3.06 N ATOM 0 H ARG A 38 -0.177 -4.480 -10.475 1.00 0.65 H new ATOM 0 HA ARG A 38 0.308 -7.349 -10.887 1.00 0.68 H new ATOM 0 HB2 ARG A 38 2.006 -5.204 -9.492 1.00 0.74 H new ATOM 0 HB3 ARG A 38 2.377 -6.917 -9.486 1.00 0.74 H new ATOM 0 HG2 ARG A 38 2.456 -6.882 -12.014 1.00 1.20 H new ATOM 0 HG3 ARG A 38 2.160 -5.155 -11.980 1.00 1.20 H new ATOM 0 HD2 ARG A 38 4.566 -5.457 -12.152 1.00 1.55 H new ATOM 0 HD3 ARG A 38 4.238 -4.887 -10.528 1.00 1.55 H new ATOM 0 HE ARG A 38 4.156 -7.741 -10.566 1.00 1.76 H new ATOM 0 HH11 ARG A 38 6.257 -4.894 -10.841 1.00 2.88 H new ATOM 0 HH12 ARG A 38 7.684 -5.710 -10.194 1.00 2.88 H new ATOM 0 HH21 ARG A 38 6.032 -8.818 -9.725 1.00 3.06 H new ATOM 0 HH22 ARG A 38 7.556 -7.940 -9.560 1.00 3.06 H new ATOM 687 N LEU A 39 -1.207 -5.880 -8.562 1.00 0.55 N ATOM 688 CA LEU A 39 -1.793 -6.063 -7.287 1.00 0.47 C ATOM 689 C LEU A 39 -2.547 -7.317 -7.248 1.00 0.51 C ATOM 690 O LEU A 39 -2.396 -8.097 -6.283 1.00 0.53 O ATOM 691 CB LEU A 39 -2.700 -4.867 -6.990 1.00 0.36 C ATOM 692 CG LEU A 39 -3.256 -4.952 -5.569 1.00 0.30 C ATOM 693 CD1 LEU A 39 -2.098 -4.969 -4.571 1.00 0.34 C ATOM 694 CD2 LEU A 39 -4.117 -3.717 -5.300 1.00 0.24 C ATOM 0 H LEU A 39 -1.605 -5.115 -9.107 1.00 0.55 H new ATOM 0 HA LEU A 39 -1.016 -6.124 -6.525 1.00 0.47 H new ATOM 0 HB2 LEU A 39 -2.140 -3.940 -7.112 1.00 0.36 H new ATOM 0 HB3 LEU A 39 -3.521 -4.840 -7.706 1.00 0.36 H new ATOM 0 HG LEU A 39 -3.850 -5.859 -5.461 1.00 0.30 H new ATOM 0 HD11 LEU A 39 -2.493 -5.030 -3.557 1.00 0.34 H new ATOM 0 HD12 LEU A 39 -1.463 -5.833 -4.765 1.00 0.34 H new ATOM 0 HD13 LEU A 39 -1.512 -4.056 -4.678 1.00 0.34 H new ATOM 0 HD21 LEU A 39 -4.519 -3.767 -4.288 1.00 0.24 H new ATOM 0 HD22 LEU A 39 -3.508 -2.819 -5.404 1.00 0.24 H new ATOM 0 HD23 LEU A 39 -4.938 -3.683 -6.016 1.00 0.24 H new ATOM 706 N GLY A 40 -3.374 -7.650 -8.250 1.00 0.56 N ATOM 707 CA GLY A 40 -4.035 -8.900 -8.243 1.00 0.64 C ATOM 708 C GLY A 40 -5.473 -8.764 -8.463 1.00 0.60 C ATOM 709 O GLY A 40 -6.159 -9.788 -8.672 1.00 0.69 O ATOM 0 H GLY A 40 -3.580 -7.057 -9.054 1.00 0.56 H new ATOM 0 HA2 GLY A 40 -3.609 -9.539 -9.017 1.00 0.64 H new ATOM 0 HA3 GLY A 40 -3.860 -9.396 -7.288 1.00 0.64 H new ATOM 713 N LEU A 41 -6.071 -7.564 -8.435 1.00 0.54 N ATOM 714 CA LEU A 41 -7.453 -7.453 -8.700 1.00 0.54 C ATOM 715 C LEU A 41 -7.667 -6.439 -9.732 1.00 0.50 C ATOM 716 O LEU A 41 -6.694 -5.776 -10.147 1.00 0.59 O ATOM 717 CB LEU A 41 -8.259 -7.139 -7.437 1.00 0.56 C ATOM 718 CG LEU A 41 -7.628 -6.008 -6.624 1.00 0.59 C ATOM 719 CD1 LEU A 41 -6.487 -6.568 -5.776 1.00 0.60 C ATOM 720 CD2 LEU A 41 -7.079 -4.932 -7.560 1.00 1.25 C ATOM 0 H LEU A 41 -5.598 -6.684 -8.231 1.00 0.54 H new ATOM 0 HA LEU A 41 -7.813 -8.416 -9.061 1.00 0.54 H new ATOM 0 HB2 LEU A 41 -9.276 -6.863 -7.715 1.00 0.56 H new ATOM 0 HB3 LEU A 41 -8.329 -8.034 -6.819 1.00 0.56 H new ATOM 0 HG LEU A 41 -8.388 -5.567 -5.978 1.00 0.59 H new ATOM 0 HD11 LEU A 41 -6.036 -5.763 -5.196 1.00 0.60 H new ATOM 0 HD12 LEU A 41 -6.876 -7.329 -5.100 1.00 0.60 H new ATOM 0 HD13 LEU A 41 -5.734 -7.012 -6.427 1.00 0.60 H new ATOM 0 HD21 LEU A 41 -6.632 -4.131 -6.971 1.00 1.25 H new ATOM 0 HD22 LEU A 41 -6.323 -5.369 -8.212 1.00 1.25 H new ATOM 0 HD23 LEU A 41 -7.890 -4.528 -8.165 1.00 1.25 H new ATOM 732 N ASN A 42 -8.884 -6.259 -10.270 1.00 0.51 N ATOM 733 CA ASN A 42 -9.092 -5.328 -11.315 1.00 0.53 C ATOM 734 C ASN A 42 -9.287 -3.967 -10.818 1.00 0.43 C ATOM 735 O ASN A 42 -9.444 -3.751 -9.597 1.00 0.38 O ATOM 736 CB ASN A 42 -10.335 -5.736 -12.108 1.00 0.66 C ATOM 737 CG ASN A 42 -10.069 -6.978 -12.827 1.00 0.81 C ATOM 738 OD1 ASN A 42 -8.895 -7.390 -12.953 1.00 1.11 O ATOM 739 ND2 ASN A 42 -11.081 -7.657 -13.383 1.00 1.45 N ATOM 0 H ASN A 42 -9.721 -6.762 -9.976 1.00 0.51 H new ATOM 0 HA ASN A 42 -8.200 -5.335 -11.941 1.00 0.53 H new ATOM 0 HB2 ASN A 42 -11.182 -5.868 -11.434 1.00 0.66 H new ATOM 0 HB3 ASN A 42 -10.606 -4.948 -12.810 1.00 0.66 H new ATOM 0 HD21 ASN A 42 -10.894 -8.510 -13.909 1.00 1.45 H new ATOM 0 HD22 ASN A 42 -12.038 -7.321 -13.280 1.00 1.45 H new ATOM 746 N GLU A 43 -9.321 -2.946 -11.691 1.00 0.47 N ATOM 747 CA GLU A 43 -9.491 -1.614 -11.245 1.00 0.45 C ATOM 748 C GLU A 43 -10.778 -1.457 -10.572 1.00 0.40 C ATOM 749 O GLU A 43 -10.923 -0.559 -9.716 1.00 0.38 O ATOM 750 CB GLU A 43 -9.461 -0.641 -12.427 1.00 0.57 C ATOM 751 CG GLU A 43 -8.218 -0.872 -13.288 1.00 0.68 C ATOM 752 CD GLU A 43 -8.403 -2.085 -14.079 1.00 0.88 C ATOM 753 OE1 GLU A 43 -9.373 -2.175 -14.862 1.00 1.31 O ATOM 754 OE2 GLU A 43 -7.597 -3.033 -13.974 1.00 1.78 O ATOM 0 H GLU A 43 -9.230 -3.050 -12.702 1.00 0.47 H new ATOM 0 HA GLU A 43 -8.675 -1.396 -10.556 1.00 0.45 H new ATOM 0 HB2 GLU A 43 -10.358 -0.770 -13.033 1.00 0.57 H new ATOM 0 HB3 GLU A 43 -9.469 0.385 -12.060 1.00 0.57 H new ATOM 0 HG2 GLU A 43 -8.051 -0.017 -13.944 1.00 0.68 H new ATOM 0 HG3 GLU A 43 -7.335 -0.966 -12.656 1.00 0.68 H new ATOM 761 N GLU A 44 -11.795 -2.280 -10.865 1.00 0.46 N ATOM 762 CA GLU A 44 -13.032 -2.183 -10.197 1.00 0.46 C ATOM 763 C GLU A 44 -12.844 -2.434 -8.771 1.00 0.40 C ATOM 764 O GLU A 44 -13.494 -1.779 -7.928 1.00 0.43 O ATOM 765 CB GLU A 44 -13.983 -3.236 -10.768 1.00 0.60 C ATOM 766 CG GLU A 44 -15.337 -3.131 -10.063 1.00 1.05 C ATOM 767 CD GLU A 44 -16.278 -4.072 -10.665 1.00 1.48 C ATOM 768 OE1 GLU A 44 -16.017 -5.295 -10.677 1.00 2.31 O ATOM 769 OE2 GLU A 44 -17.341 -3.655 -11.173 1.00 1.78 O ATOM 0 H GLU A 44 -11.751 -3.015 -11.571 1.00 0.46 H new ATOM 0 HA GLU A 44 -13.446 -1.184 -10.336 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -14.106 -3.088 -11.841 1.00 0.60 H new ATOM 0 HB3 GLU A 44 -13.565 -4.233 -10.630 1.00 0.60 H new ATOM 0 HG2 GLU A 44 -15.223 -3.345 -9.000 1.00 1.05 H new ATOM 0 HG3 GLU A 44 -15.722 -2.115 -10.143 1.00 1.05 H new ATOM 776 N GLN A 45 -11.969 -3.364 -8.362 1.00 0.40 N ATOM 777 CA GLN A 45 -11.813 -3.633 -6.988 1.00 0.41 C ATOM 778 C GLN A 45 -11.021 -2.588 -6.339 1.00 0.34 C ATOM 779 O GLN A 45 -10.982 -2.535 -5.091 1.00 0.41 O ATOM 780 CB GLN A 45 -11.108 -4.980 -6.845 1.00 0.51 C ATOM 781 CG GLN A 45 -11.932 -6.054 -7.557 1.00 0.60 C ATOM 782 CD GLN A 45 -13.258 -6.147 -6.954 1.00 0.75 C ATOM 783 OE1 GLN A 45 -14.275 -5.908 -7.642 1.00 0.90 O ATOM 784 NE2 GLN A 45 -13.389 -6.491 -5.666 1.00 0.97 N ATOM 0 H GLN A 45 -11.379 -3.920 -8.982 1.00 0.40 H new ATOM 0 HA GLN A 45 -12.791 -3.658 -6.508 1.00 0.41 H new ATOM 0 HB2 GLN A 45 -10.107 -4.928 -7.274 1.00 0.51 H new ATOM 0 HB3 GLN A 45 -10.991 -5.233 -5.791 1.00 0.51 H new ATOM 0 HG2 GLN A 45 -12.021 -5.813 -8.616 1.00 0.60 H new ATOM 0 HG3 GLN A 45 -11.425 -7.017 -7.491 1.00 0.60 H new ATOM 0 HE21 GLN A 45 -12.561 -6.686 -5.104 1.00 0.97 H new ATOM 0 HE22 GLN A 45 -14.317 -6.558 -5.248 1.00 0.97 H new ATOM 793 N ILE A 46 -10.353 -1.687 -7.076 1.00 0.28 N ATOM 794 CA ILE A 46 -9.662 -0.622 -6.463 1.00 0.30 C ATOM 795 C ILE A 46 -10.674 0.347 -6.062 1.00 0.39 C ATOM 796 O ILE A 46 -10.658 0.840 -4.914 1.00 0.52 O ATOM 797 CB ILE A 46 -8.723 0.049 -7.471 1.00 0.35 C ATOM 798 CG1 ILE A 46 -7.662 -0.938 -7.965 1.00 0.36 C ATOM 799 CG2 ILE A 46 -8.032 1.243 -6.808 1.00 0.45 C ATOM 800 CD1 ILE A 46 -6.786 -1.381 -6.792 1.00 0.38 C ATOM 0 H ILE A 46 -10.297 -1.704 -8.094 1.00 0.28 H new ATOM 0 HA ILE A 46 -9.072 -0.980 -5.619 1.00 0.30 H new ATOM 0 HB ILE A 46 -9.313 0.385 -8.324 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -8.141 -1.804 -8.421 1.00 0.36 H new ATOM 0 HG13 ILE A 46 -7.047 -0.471 -8.735 1.00 0.36 H new ATOM 0 HG21 ILE A 46 -7.364 1.721 -7.525 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -8.783 1.961 -6.478 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -7.456 0.899 -5.949 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -6.032 -2.084 -7.146 1.00 0.38 H new ATOM 0 HD12 ILE A 46 -6.295 -0.511 -6.356 1.00 0.38 H new ATOM 0 HD13 ILE A 46 -7.406 -1.865 -6.037 1.00 0.38 H new ATOM 812 N GLU A 47 -11.627 0.671 -6.948 1.00 0.38 N ATOM 813 CA GLU A 47 -12.649 1.595 -6.644 1.00 0.47 C ATOM 814 C GLU A 47 -13.476 1.115 -5.539 1.00 0.51 C ATOM 815 O GLU A 47 -13.827 1.918 -4.648 1.00 0.61 O ATOM 816 CB GLU A 47 -13.544 1.712 -7.878 1.00 0.50 C ATOM 817 CG GLU A 47 -12.759 2.347 -9.027 1.00 0.52 C ATOM 818 CD GLU A 47 -13.606 2.392 -10.215 1.00 0.56 C ATOM 819 OE1 GLU A 47 -14.693 3.008 -10.184 1.00 1.11 O ATOM 820 OE2 GLU A 47 -13.241 1.820 -11.265 1.00 1.21 O ATOM 0 H GLU A 47 -11.682 0.281 -7.889 1.00 0.38 H new ATOM 0 HA GLU A 47 -12.200 2.548 -6.364 1.00 0.47 H new ATOM 0 HB2 GLU A 47 -13.904 0.726 -8.172 1.00 0.50 H new ATOM 0 HB3 GLU A 47 -14.421 2.316 -7.647 1.00 0.50 H new ATOM 0 HG2 GLU A 47 -12.440 3.353 -8.754 1.00 0.52 H new ATOM 0 HG3 GLU A 47 -11.856 1.770 -9.230 1.00 0.52 H new ATOM 827 N ARG A 48 -13.854 -0.172 -5.498 1.00 0.47 N ATOM 828 CA ARG A 48 -14.667 -0.674 -4.458 1.00 0.55 C ATOM 829 C ARG A 48 -14.028 -0.569 -3.150 1.00 0.60 C ATOM 830 O ARG A 48 -14.618 0.057 -2.245 1.00 0.68 O ATOM 831 CB ARG A 48 -15.010 -2.139 -4.734 1.00 0.56 C ATOM 832 CG ARG A 48 -16.395 -2.221 -5.383 1.00 0.63 C ATOM 833 CD ARG A 48 -16.419 -1.449 -6.702 1.00 0.60 C ATOM 834 NE ARG A 48 -17.707 -1.536 -7.268 1.00 0.71 N ATOM 835 CZ ARG A 48 -17.993 -0.865 -8.393 1.00 0.80 C ATOM 836 NH1 ARG A 48 -17.062 -0.096 -8.973 1.00 0.80 N ATOM 837 NH2 ARG A 48 -19.215 -0.962 -8.936 1.00 0.94 N ATOM 0 H ARG A 48 -13.589 -0.866 -6.197 1.00 0.47 H new ATOM 0 HA ARG A 48 -15.572 -0.066 -4.434 1.00 0.55 H new ATOM 0 HB2 ARG A 48 -14.261 -2.582 -5.391 1.00 0.56 H new ATOM 0 HB3 ARG A 48 -14.997 -2.709 -3.805 1.00 0.56 H new ATOM 0 HG2 ARG A 48 -16.658 -3.264 -5.561 1.00 0.63 H new ATOM 0 HG3 ARG A 48 -17.145 -1.815 -4.704 1.00 0.63 H new ATOM 0 HD2 ARG A 48 -16.154 -0.406 -6.531 1.00 0.60 H new ATOM 0 HD3 ARG A 48 -15.678 -1.858 -7.390 1.00 0.60 H new ATOM 0 HE ARG A 48 -18.422 -2.110 -6.821 1.00 0.71 H new ATOM 0 HH11 ARG A 48 -16.133 -0.020 -8.559 1.00 0.80 H new ATOM 0 HH12 ARG A 48 -17.282 0.413 -9.829 1.00 0.80 H new ATOM 0 HH21 ARG A 48 -19.925 -1.545 -8.493 1.00 0.94 H new ATOM 0 HH22 ARG A 48 -19.435 -0.452 -9.792 1.00 0.94 H new ATOM 851 N TRP A 49 -12.853 -1.157 -2.884 1.00 0.56 N ATOM 852 CA TRP A 49 -12.306 -1.053 -1.585 1.00 0.64 C ATOM 853 C TRP A 49 -12.046 0.341 -1.229 1.00 0.69 C ATOM 854 O TRP A 49 -12.239 0.721 -0.053 1.00 0.81 O ATOM 855 CB TRP A 49 -11.013 -1.860 -1.475 1.00 0.75 C ATOM 856 CG TRP A 49 -10.507 -1.703 -0.116 1.00 1.06 C ATOM 857 CD1 TRP A 49 -9.260 -1.225 0.269 1.00 0.90 C ATOM 858 CD2 TRP A 49 -11.206 -1.946 1.055 1.00 1.95 C ATOM 859 NE1 TRP A 49 -9.199 -1.196 1.613 1.00 1.29 N ATOM 860 CE2 TRP A 49 -10.372 -1.624 2.104 1.00 1.98 C ATOM 861 CE3 TRP A 49 -12.500 -2.399 1.256 1.00 2.83 C ATOM 862 CZ2 TRP A 49 -10.795 -1.752 3.418 1.00 2.80 C ATOM 863 CZ3 TRP A 49 -12.940 -2.517 2.573 1.00 3.66 C ATOM 864 CH2 TRP A 49 -12.098 -2.195 3.639 1.00 3.63 C ATOM 0 H TRP A 49 -12.298 -1.690 -3.553 1.00 0.56 H new ATOM 0 HA TRP A 49 -13.040 -1.459 -0.889 1.00 0.64 H new ATOM 0 HB2 TRP A 49 -11.198 -2.911 -1.695 1.00 0.75 H new ATOM 0 HB3 TRP A 49 -10.279 -1.507 -2.200 1.00 0.75 H new ATOM 0 HD1 TRP A 49 -8.468 -0.925 -0.402 1.00 0.90 H new ATOM 0 HE1 TRP A 49 -8.395 -0.898 2.166 1.00 1.29 H new ATOM 0 HE3 TRP A 49 -13.142 -2.651 0.425 1.00 2.83 H new ATOM 0 HZ2 TRP A 49 -10.138 -1.517 4.242 1.00 2.80 H new ATOM 0 HZ3 TRP A 49 -13.944 -2.862 2.771 1.00 3.66 H new ATOM 0 HH2 TRP A 49 -12.462 -2.291 4.651 1.00 3.63 H new ATOM 875 N PHE A 50 -11.598 1.191 -2.163 1.00 0.65 N ATOM 876 CA PHE A 50 -11.329 2.548 -1.878 1.00 0.72 C ATOM 877 C PHE A 50 -12.489 3.233 -1.311 1.00 0.78 C ATOM 878 O PHE A 50 -12.339 3.963 -0.307 1.00 0.89 O ATOM 879 CB PHE A 50 -10.973 3.256 -3.187 1.00 0.72 C ATOM 880 CG PHE A 50 -10.763 4.678 -2.935 1.00 0.86 C ATOM 881 CD1 PHE A 50 -9.592 5.113 -2.326 1.00 1.33 C ATOM 882 CD2 PHE A 50 -11.731 5.599 -3.317 1.00 1.66 C ATOM 883 CE1 PHE A 50 -9.393 6.469 -2.095 1.00 1.54 C ATOM 884 CE2 PHE A 50 -11.536 6.954 -3.078 1.00 2.06 C ATOM 885 CZ PHE A 50 -10.366 7.389 -2.466 1.00 1.68 C ATOM 0 H PHE A 50 -11.421 0.925 -3.132 1.00 0.65 H new ATOM 0 HA PHE A 50 -10.515 2.580 -1.153 1.00 0.72 H new ATOM 0 HB2 PHE A 50 -10.073 2.816 -3.617 1.00 0.72 H new ATOM 0 HB3 PHE A 50 -11.773 3.120 -3.915 1.00 0.72 H new ATOM 0 HD1 PHE A 50 -8.837 4.398 -2.033 1.00 1.33 H new ATOM 0 HD2 PHE A 50 -12.636 5.261 -3.800 1.00 1.66 H new ATOM 0 HE1 PHE A 50 -8.481 6.808 -1.627 1.00 1.54 H new ATOM 0 HE2 PHE A 50 -12.293 7.668 -3.367 1.00 2.06 H new ATOM 0 HZ PHE A 50 -10.213 8.442 -2.279 1.00 1.68 H new ATOM 895 N ARG A 51 -13.703 3.126 -1.872 1.00 0.74 N ATOM 896 CA ARG A 51 -14.768 3.884 -1.340 1.00 0.81 C ATOM 897 C ARG A 51 -15.518 3.145 -0.326 1.00 0.87 C ATOM 898 O ARG A 51 -16.290 3.781 0.423 1.00 0.99 O ATOM 899 CB ARG A 51 -15.679 4.341 -2.482 1.00 0.79 C ATOM 900 CG ARG A 51 -16.315 3.132 -3.174 1.00 0.78 C ATOM 901 CD ARG A 51 -17.619 2.751 -2.471 1.00 1.14 C ATOM 902 NE ARG A 51 -18.545 3.803 -2.623 1.00 1.47 N ATOM 903 CZ ARG A 51 -19.320 3.859 -3.715 1.00 1.92 C ATOM 904 NH1 ARG A 51 -19.225 2.908 -4.655 1.00 2.21 N ATOM 905 NH2 ARG A 51 -20.190 4.866 -3.869 1.00 2.45 N ATOM 0 H ARG A 51 -13.936 2.533 -2.668 1.00 0.74 H new ATOM 0 HA ARG A 51 -14.353 4.757 -0.836 1.00 0.81 H new ATOM 0 HB2 ARG A 51 -16.458 4.997 -2.094 1.00 0.79 H new ATOM 0 HB3 ARG A 51 -15.104 4.921 -3.204 1.00 0.79 H new ATOM 0 HG2 ARG A 51 -16.511 3.364 -4.221 1.00 0.78 H new ATOM 0 HG3 ARG A 51 -15.624 2.289 -3.158 1.00 0.78 H new ATOM 0 HD2 ARG A 51 -18.021 1.831 -2.895 1.00 1.14 H new ATOM 0 HD3 ARG A 51 -17.435 2.561 -1.414 1.00 1.14 H new ATOM 0 HE ARG A 51 -18.625 4.521 -1.903 1.00 1.47 H new ATOM 0 HH11 ARG A 51 -18.563 2.141 -4.539 1.00 2.21 H new ATOM 0 HH12 ARG A 51 -19.815 2.951 -5.486 1.00 2.21 H new ATOM 0 HH21 ARG A 51 -20.263 5.591 -3.155 1.00 2.45 H new ATOM 0 HH22 ARG A 51 -20.780 4.908 -4.700 1.00 2.45 H new ATOM 919 N ARG A 52 -15.387 1.817 -0.181 1.00 0.83 N ATOM 920 CA ARG A 52 -16.072 1.137 0.852 1.00 0.98 C ATOM 921 C ARG A 52 -15.501 1.523 2.136 1.00 1.11 C ATOM 922 O ARG A 52 -16.238 1.816 3.104 1.00 1.27 O ATOM 923 CB ARG A 52 -15.904 -0.374 0.677 1.00 1.02 C ATOM 924 CG ARG A 52 -16.851 -0.877 -0.414 1.00 1.24 C ATOM 925 CD ARG A 52 -18.294 -0.707 0.064 1.00 1.32 C ATOM 926 NE ARG A 52 -18.496 -1.478 1.227 1.00 1.80 N ATOM 927 CZ ARG A 52 -19.603 -2.221 1.362 1.00 2.26 C ATOM 928 NH1 ARG A 52 -20.522 -2.244 0.386 1.00 2.17 N ATOM 929 NH2 ARG A 52 -19.793 -2.943 2.475 1.00 3.08 N ATOM 0 H ARG A 52 -14.810 1.224 -0.778 1.00 0.83 H new ATOM 0 HA ARG A 52 -17.130 1.396 0.813 1.00 0.98 H new ATOM 0 HB2 ARG A 52 -14.873 -0.606 0.412 1.00 1.02 H new ATOM 0 HB3 ARG A 52 -16.114 -0.884 1.617 1.00 1.02 H new ATOM 0 HG2 ARG A 52 -16.692 -0.320 -1.337 1.00 1.24 H new ATOM 0 HG3 ARG A 52 -16.648 -1.925 -0.635 1.00 1.24 H new ATOM 0 HD2 ARG A 52 -18.499 0.343 0.271 1.00 1.32 H new ATOM 0 HD3 ARG A 52 -18.987 -1.019 -0.717 1.00 1.32 H new ATOM 0 HE ARG A 52 -17.796 -1.470 1.969 1.00 1.80 H new ATOM 0 HH11 ARG A 52 -20.379 -1.695 -0.462 1.00 2.17 H new ATOM 0 HH12 ARG A 52 -21.364 -2.810 0.491 1.00 2.17 H new ATOM 0 HH21 ARG A 52 -19.095 -2.927 3.219 1.00 3.08 H new ATOM 0 HH22 ARG A 52 -20.635 -3.509 2.578 1.00 3.08 H new ATOM 943 N LYS A 53 -14.166 1.560 2.252 1.00 1.08 N ATOM 944 CA LYS A 53 -13.531 1.927 3.458 1.00 1.25 C ATOM 945 C LYS A 53 -13.982 3.233 3.949 1.00 1.35 C ATOM 946 O LYS A 53 -13.778 3.529 5.146 1.00 1.57 O ATOM 947 CB LYS A 53 -12.017 1.924 3.224 1.00 1.20 C ATOM 948 CG LYS A 53 -11.283 1.428 4.473 1.00 1.31 C ATOM 949 CD LYS A 53 -10.658 2.566 5.280 1.00 1.89 C ATOM 950 CE LYS A 53 -9.575 3.227 4.426 1.00 2.23 C ATOM 951 NZ LYS A 53 -8.760 4.128 5.239 1.00 2.62 N ATOM 0 H LYS A 53 -13.524 1.330 1.493 1.00 1.08 H new ATOM 0 HA LYS A 53 -13.796 1.205 4.230 1.00 1.25 H new ATOM 0 HB2 LYS A 53 -11.775 1.285 2.375 1.00 1.20 H new ATOM 0 HB3 LYS A 53 -11.680 2.929 2.972 1.00 1.20 H new ATOM 0 HG2 LYS A 53 -11.981 0.880 5.106 1.00 1.31 H new ATOM 0 HG3 LYS A 53 -10.503 0.727 4.177 1.00 1.31 H new ATOM 0 HD2 LYS A 53 -11.419 3.295 5.559 1.00 1.89 H new ATOM 0 HD3 LYS A 53 -10.229 2.183 6.206 1.00 1.89 H new ATOM 0 HE2 LYS A 53 -8.942 2.463 3.975 1.00 2.23 H new ATOM 0 HE3 LYS A 53 -10.036 3.782 3.609 1.00 2.23 H new ATOM 0 HZ1 LYS A 53 -8.506 4.967 4.679 1.00 2.62 H new ATOM 0 HZ2 LYS A 53 -9.299 4.422 6.078 1.00 2.62 H new ATOM 0 HZ3 LYS A 53 -7.894 3.637 5.539 1.00 2.62 H new ATOM 965 N GLU A 54 -14.562 4.138 3.142 1.00 1.24 N ATOM 966 CA GLU A 54 -14.923 5.396 3.663 1.00 1.34 C ATOM 967 C GLU A 54 -16.366 5.510 3.874 1.00 1.32 C ATOM 968 O GLU A 54 -16.793 6.030 4.928 1.00 1.39 O ATOM 969 CB GLU A 54 -14.523 6.480 2.659 1.00 1.34 C ATOM 970 CG GLU A 54 -13.118 6.217 2.119 1.00 1.18 C ATOM 971 CD GLU A 54 -12.607 7.431 1.490 1.00 1.29 C ATOM 972 OE1 GLU A 54 -12.480 8.472 2.171 1.00 1.87 O ATOM 973 OE2 GLU A 54 -12.298 7.429 0.279 1.00 1.61 O ATOM 0 H GLU A 54 -14.772 3.995 2.154 1.00 1.24 H new ATOM 0 HA GLU A 54 -14.414 5.512 4.620 1.00 1.34 H new ATOM 0 HB2 GLU A 54 -15.237 6.503 1.836 1.00 1.34 H new ATOM 0 HB3 GLU A 54 -14.558 7.458 3.138 1.00 1.34 H new ATOM 0 HG2 GLU A 54 -12.457 5.907 2.929 1.00 1.18 H new ATOM 0 HG3 GLU A 54 -13.141 5.401 1.396 1.00 1.18 H new ATOM 980 N GLN A 55 -17.232 5.075 2.944 1.00 1.23 N ATOM 981 CA GLN A 55 -18.619 5.286 3.117 1.00 1.27 C ATOM 982 C GLN A 55 -19.190 4.491 4.201 1.00 1.33 C ATOM 983 O GLN A 55 -20.326 4.784 4.633 1.00 1.41 O ATOM 984 CB GLN A 55 -19.390 4.965 1.835 1.00 1.22 C ATOM 985 CG GLN A 55 -19.377 3.458 1.573 1.00 1.34 C ATOM 986 CD GLN A 55 -20.210 3.171 0.409 1.00 2.13 C ATOM 987 OE1 GLN A 55 -20.351 1.994 0.012 1.00 2.59 O ATOM 988 NE2 GLN A 55 -20.837 4.169 -0.229 1.00 2.88 N ATOM 0 H GLN A 55 -16.970 4.586 2.088 1.00 1.23 H new ATOM 0 HA GLN A 55 -18.720 6.341 3.372 1.00 1.27 H new ATOM 0 HB2 GLN A 55 -20.418 5.317 1.922 1.00 1.22 H new ATOM 0 HB3 GLN A 55 -18.943 5.492 0.992 1.00 1.22 H new ATOM 0 HG2 GLN A 55 -18.357 3.115 1.400 1.00 1.34 H new ATOM 0 HG3 GLN A 55 -19.750 2.921 2.445 1.00 1.34 H new ATOM 0 HE21 GLN A 55 -20.724 5.130 0.092 1.00 2.88 H new ATOM 0 HE22 GLN A 55 -21.427 3.967 -1.036 1.00 2.88 H new ATOM 997 N GLN A 56 -18.545 3.439 4.725 1.00 1.34 N ATOM 998 CA GLN A 56 -19.150 2.711 5.771 1.00 1.42 C ATOM 999 C GLN A 56 -19.041 3.437 7.035 1.00 1.54 C ATOM 1000 O GLN A 56 -19.688 3.045 8.031 1.00 1.59 O ATOM 1001 CB GLN A 56 -18.480 1.343 5.908 1.00 1.47 C ATOM 1002 CG GLN A 56 -19.208 0.524 6.975 1.00 1.66 C ATOM 1003 CD GLN A 56 -20.604 0.346 6.584 1.00 1.85 C ATOM 1004 OE1 GLN A 56 -21.519 0.755 7.331 1.00 2.42 O ATOM 1005 NE2 GLN A 56 -20.906 -0.261 5.428 1.00 2.10 N ATOM 0 H GLN A 56 -17.628 3.104 4.429 1.00 1.34 H new ATOM 0 HA GLN A 56 -20.205 2.578 5.532 1.00 1.42 H new ATOM 0 HB2 GLN A 56 -18.502 0.818 4.953 1.00 1.47 H new ATOM 0 HB3 GLN A 56 -17.432 1.465 6.180 1.00 1.47 H new ATOM 0 HG2 GLN A 56 -18.726 -0.446 7.095 1.00 1.66 H new ATOM 0 HG3 GLN A 56 -19.151 1.030 7.939 1.00 1.66 H new ATOM 0 HE21 GLN A 56 -20.160 -0.595 4.817 1.00 2.10 H new ATOM 0 HE22 GLN A 56 -21.881 -0.389 5.159 1.00 2.10 H new ATOM 1014 N ILE A 57 -18.224 4.493 7.139 1.00 1.64 N ATOM 1015 CA ILE A 57 -18.067 5.173 8.362 1.00 1.81 C ATOM 1016 C ILE A 57 -18.607 6.527 8.279 1.00 1.89 C ATOM 1017 O ILE A 57 -19.082 7.063 9.303 1.00 2.07 O ATOM 1018 CB ILE A 57 -16.585 5.221 8.735 1.00 1.88 C ATOM 1019 CG1 ILE A 57 -16.048 3.791 8.830 1.00 2.08 C ATOM 1020 CG2 ILE A 57 -16.437 5.924 10.086 1.00 1.87 C ATOM 1021 CD1 ILE A 57 -16.788 3.032 9.933 1.00 2.66 C ATOM 0 H ILE A 57 -17.674 4.871 6.368 1.00 1.64 H new ATOM 0 HA ILE A 57 -18.619 4.635 9.133 1.00 1.81 H new ATOM 0 HB ILE A 57 -16.022 5.767 7.978 1.00 1.88 H new ATOM 0 HG12 ILE A 57 -16.176 3.280 7.876 1.00 2.08 H new ATOM 0 HG13 ILE A 57 -14.979 3.808 9.042 1.00 2.08 H new ATOM 0 HG21 ILE A 57 -15.383 5.964 10.362 1.00 1.87 H new ATOM 0 HG22 ILE A 57 -16.832 6.937 10.014 1.00 1.87 H new ATOM 0 HG23 ILE A 57 -16.990 5.372 10.846 1.00 1.87 H new ATOM 0 HD11 ILE A 57 -16.402 2.015 9.997 1.00 2.66 H new ATOM 0 HD12 ILE A 57 -16.637 3.538 10.887 1.00 2.66 H new ATOM 0 HD13 ILE A 57 -17.853 3.002 9.703 1.00 2.66 H new ATOM 1033 N GLY A 58 -18.559 7.214 7.128 1.00 1.79 N ATOM 1034 CA GLY A 58 -18.985 8.559 7.099 1.00 1.90 C ATOM 1035 C GLY A 58 -17.949 9.368 6.462 1.00 1.88 C ATOM 1036 O GLY A 58 -17.895 10.600 6.667 1.00 1.99 O ATOM 0 H GLY A 58 -18.231 6.841 6.237 1.00 1.79 H new ATOM 0 HA2 GLY A 58 -19.923 8.646 6.550 1.00 1.90 H new ATOM 0 HA3 GLY A 58 -19.174 8.917 8.111 1.00 1.90 H new ATOM 1040 N TRP A 59 -17.076 8.752 5.653 1.00 1.76 N ATOM 1041 CA TRP A 59 -16.033 9.411 4.968 1.00 1.74 C ATOM 1042 C TRP A 59 -15.015 9.908 5.889 1.00 1.84 C ATOM 1043 O TRP A 59 -14.502 11.036 5.720 1.00 1.91 O ATOM 1044 CB TRP A 59 -16.568 10.544 4.088 1.00 1.80 C ATOM 1045 CG TRP A 59 -15.463 11.137 3.341 1.00 2.04 C ATOM 1046 CD1 TRP A 59 -14.815 10.590 2.238 1.00 2.09 C ATOM 1047 CD2 TRP A 59 -14.878 12.374 3.557 1.00 2.50 C ATOM 1048 NE1 TRP A 59 -13.872 11.451 1.815 1.00 2.57 N ATOM 1049 CE2 TRP A 59 -13.898 12.537 2.602 1.00 2.86 C ATOM 1050 CE3 TRP A 59 -15.141 13.345 4.511 1.00 2.73 C ATOM 1051 CZ2 TRP A 59 -13.125 13.688 2.554 1.00 3.47 C ATOM 1052 CZ3 TRP A 59 -14.372 14.507 4.471 1.00 3.31 C ATOM 1053 CH2 TRP A 59 -13.377 14.675 3.505 1.00 3.69 C ATOM 0 H TRP A 59 -17.105 7.748 5.473 1.00 1.76 H new ATOM 0 HA TRP A 59 -15.563 8.674 4.317 1.00 1.74 H new ATOM 0 HB2 TRP A 59 -17.323 10.161 3.401 1.00 1.80 H new ATOM 0 HB3 TRP A 59 -17.053 11.301 4.704 1.00 1.80 H new ATOM 0 HD1 TRP A 59 -15.034 9.630 1.794 1.00 2.09 H new ATOM 0 HE1 TRP A 59 -13.242 11.303 1.027 1.00 2.57 H new ATOM 0 HE3 TRP A 59 -15.911 13.207 5.256 1.00 2.73 H new ATOM 0 HZ2 TRP A 59 -12.356 13.815 1.807 1.00 3.47 H new ATOM 0 HZ3 TRP A 59 -14.548 15.288 5.196 1.00 3.31 H new ATOM 0 HH2 TRP A 59 -12.794 15.584 3.495 1.00 3.69 H new ATOM 1064 N SER A 60 -14.614 9.121 6.896 1.00 1.88 N ATOM 1065 CA SER A 60 -13.523 9.484 7.713 1.00 1.98 C ATOM 1066 C SER A 60 -12.572 8.373 7.667 1.00 1.92 C ATOM 1067 O SER A 60 -11.437 8.494 8.175 1.00 1.98 O ATOM 1068 CB SER A 60 -13.988 9.755 9.146 1.00 2.09 C ATOM 1069 OG SER A 60 -14.582 8.587 9.690 1.00 2.15 O ATOM 0 H SER A 60 -15.051 8.232 7.139 1.00 1.88 H new ATOM 0 HA SER A 60 -13.056 10.402 7.357 1.00 1.98 H new ATOM 0 HB2 SER A 60 -13.142 10.063 9.760 1.00 2.09 H new ATOM 0 HB3 SER A 60 -14.705 10.576 9.156 1.00 2.09 H new ATOM 0 HG SER A 60 -14.876 8.766 10.608 1.00 2.15 H new ATOM 1075 N HIS A 61 -12.975 7.234 7.075 1.00 1.87 N ATOM 1076 CA HIS A 61 -12.180 6.083 6.850 1.00 1.91 C ATOM 1077 C HIS A 61 -11.177 5.713 7.855 1.00 1.97 C ATOM 1078 O HIS A 61 -9.995 5.546 7.482 1.00 2.60 O ATOM 1079 CB HIS A 61 -11.550 6.200 5.461 1.00 2.74 C ATOM 1080 CG HIS A 61 -10.665 7.354 5.334 1.00 3.15 C ATOM 1081 ND1 HIS A 61 -10.897 8.441 4.585 1.00 4.13 N ATOM 1082 CD2 HIS A 61 -9.449 7.547 5.976 1.00 3.11 C ATOM 1083 CE1 HIS A 61 -9.870 9.289 4.746 1.00 4.69 C ATOM 1084 NE2 HIS A 61 -8.985 8.745 5.595 1.00 4.06 N ATOM 0 H HIS A 61 -13.928 7.118 6.732 1.00 1.87 H new ATOM 0 HA HIS A 61 -12.879 5.251 6.934 1.00 1.91 H new ATOM 0 HB2 HIS A 61 -10.988 5.292 5.245 1.00 2.74 H new ATOM 0 HB3 HIS A 61 -12.340 6.271 4.714 1.00 2.74 H new ATOM 0 HD1 HIS A 61 -11.714 8.597 3.994 1.00 4.13 H new ATOM 0 HD2 HIS A 61 -8.967 6.860 6.656 1.00 3.11 H new ATOM 0 HE1 HIS A 61 -9.772 10.253 4.269 1.00 4.69 H new ATOM 1093 N PRO A 62 -11.472 5.535 9.155 1.00 1.93 N ATOM 1094 CA PRO A 62 -10.507 5.113 10.098 1.00 2.45 C ATOM 1095 C PRO A 62 -10.573 3.696 10.312 1.00 2.07 C ATOM 1096 O PRO A 62 -10.151 3.246 11.365 1.00 2.31 O ATOM 1097 CB PRO A 62 -11.027 5.765 11.375 1.00 3.15 C ATOM 1098 CG PRO A 62 -12.537 5.601 11.216 1.00 2.98 C ATOM 1099 CD PRO A 62 -12.768 5.758 9.710 1.00 2.10 C ATOM 0 HA PRO A 62 -9.490 5.362 9.794 1.00 2.45 H new ATOM 0 HB2 PRO A 62 -10.653 5.267 12.270 1.00 3.15 H new ATOM 0 HB3 PRO A 62 -10.735 6.813 11.448 1.00 3.15 H new ATOM 0 HG2 PRO A 62 -12.873 4.627 11.572 1.00 2.98 H new ATOM 0 HG3 PRO A 62 -13.083 6.354 11.785 1.00 2.98 H new ATOM 0 HD2 PRO A 62 -13.495 5.037 9.337 1.00 2.10 H new ATOM 0 HD3 PRO A 62 -13.147 6.750 9.462 1.00 2.10 H new ATOM 1107 N GLN A 63 -11.100 2.881 9.428 1.00 1.69 N ATOM 1108 CA GLN A 63 -11.317 1.516 9.740 1.00 1.52 C ATOM 1109 C GLN A 63 -10.131 0.715 10.052 1.00 1.57 C ATOM 1110 O GLN A 63 -10.312 -0.481 10.365 1.00 1.92 O ATOM 1111 CB GLN A 63 -12.004 0.828 8.559 1.00 1.70 C ATOM 1112 CG GLN A 63 -13.406 1.402 8.357 1.00 2.04 C ATOM 1113 CD GLN A 63 -14.067 0.670 7.280 1.00 2.56 C ATOM 1114 OE1 GLN A 63 -15.196 1.026 6.881 1.00 3.20 O ATOM 1115 NE2 GLN A 63 -13.467 -0.392 6.725 1.00 2.72 N ATOM 0 H GLN A 63 -11.382 3.156 8.487 1.00 1.69 H new ATOM 0 HA GLN A 63 -11.917 1.555 10.649 1.00 1.52 H new ATOM 0 HB2 GLN A 63 -11.413 0.966 7.654 1.00 1.70 H new ATOM 0 HB3 GLN A 63 -12.065 -0.245 8.739 1.00 1.70 H new ATOM 0 HG2 GLN A 63 -13.983 1.320 9.278 1.00 2.04 H new ATOM 0 HG3 GLN A 63 -13.347 2.462 8.111 1.00 2.04 H new ATOM 0 HE21 GLN A 63 -12.545 -0.684 7.049 1.00 2.72 H new ATOM 0 HE22 GLN A 63 -13.932 -0.908 5.978 1.00 2.72 H new ATOM 1124 N PHE A 64 -8.875 1.183 10.024 1.00 1.51 N ATOM 1125 CA PHE A 64 -7.824 0.335 10.436 1.00 1.64 C ATOM 1126 C PHE A 64 -7.443 0.667 11.806 1.00 1.92 C ATOM 1127 O PHE A 64 -8.081 0.185 12.766 1.00 2.61 O ATOM 1128 CB PHE A 64 -6.633 0.462 9.487 1.00 1.89 C ATOM 1129 CG PHE A 64 -6.980 -0.118 8.192 1.00 3.00 C ATOM 1130 CD1 PHE A 64 -7.860 0.537 7.339 1.00 3.73 C ATOM 1131 CD2 PHE A 64 -6.406 -1.323 7.802 1.00 3.61 C ATOM 1132 CE1 PHE A 64 -8.169 -0.017 6.102 1.00 4.94 C ATOM 1133 CE2 PHE A 64 -6.719 -1.878 6.567 1.00 4.84 C ATOM 1134 CZ PHE A 64 -7.602 -1.225 5.716 1.00 5.47 C ATOM 0 H PHE A 64 -8.599 2.118 9.725 1.00 1.51 H new ATOM 0 HA PHE A 64 -8.161 -0.701 10.407 1.00 1.64 H new ATOM 0 HB2 PHE A 64 -6.360 1.510 9.367 1.00 1.89 H new ATOM 0 HB3 PHE A 64 -5.765 -0.048 9.905 1.00 1.89 H new ATOM 0 HD1 PHE A 64 -8.303 1.476 7.637 1.00 3.73 H new ATOM 0 HD2 PHE A 64 -5.715 -1.829 8.460 1.00 3.61 H new ATOM 0 HE1 PHE A 64 -8.852 0.493 5.439 1.00 4.94 H new ATOM 0 HE2 PHE A 64 -6.276 -2.817 6.269 1.00 4.84 H new ATOM 0 HZ PHE A 64 -7.847 -1.656 4.756 1.00 5.47 H new ATOM 1144 N GLU A 65 -6.431 1.514 12.040 1.00 2.15 N ATOM 1145 CA GLU A 65 -6.084 1.846 13.366 1.00 3.00 C ATOM 1146 C GLU A 65 -6.038 3.299 13.489 1.00 3.61 C ATOM 1147 O GLU A 65 -4.977 3.855 13.848 1.00 4.51 O ATOM 1148 CB GLU A 65 -4.694 1.291 13.689 1.00 3.51 C ATOM 1149 CG GLU A 65 -4.718 -0.240 13.719 1.00 3.70 C ATOM 1150 CD GLU A 65 -5.606 -0.699 14.784 1.00 4.68 C ATOM 1151 OE1 GLU A 65 -5.423 -0.313 15.959 1.00 5.30 O ATOM 1152 OE2 GLU A 65 -6.538 -1.491 14.526 1.00 5.13 O ATOM 0 H GLU A 65 -5.865 1.959 11.318 1.00 2.15 H new ATOM 0 HA GLU A 65 -6.820 1.424 14.050 1.00 3.00 H new ATOM 0 HB2 GLU A 65 -3.977 1.634 12.943 1.00 3.51 H new ATOM 0 HB3 GLU A 65 -4.359 1.674 14.653 1.00 3.51 H new ATOM 0 HG2 GLU A 65 -5.057 -0.627 12.758 1.00 3.70 H new ATOM 0 HG3 GLU A 65 -3.711 -0.626 13.880 1.00 3.70 H new ATOM 1159 N LYS A 66 -7.122 4.038 13.216 1.00 3.38 N ATOM 1160 CA LYS A 66 -7.057 5.441 13.341 1.00 4.28 C ATOM 1161 C LYS A 66 -8.075 5.895 14.283 1.00 5.06 C ATOM 1162 O LYS A 66 -8.959 6.697 13.911 1.00 5.16 O ATOM 1163 CB LYS A 66 -7.289 6.082 11.972 1.00 4.09 C ATOM 1164 CG LYS A 66 -6.161 5.664 11.027 1.00 3.93 C ATOM 1165 CD LYS A 66 -6.335 6.356 9.674 1.00 4.32 C ATOM 1166 CE LYS A 66 -6.143 7.864 9.848 1.00 4.83 C ATOM 1167 NZ LYS A 66 -6.201 8.516 8.540 1.00 5.28 N ATOM 1168 OXT LYS A 66 -8.062 5.483 15.463 1.00 5.89 O ATOM 0 H LYS A 66 -8.023 3.667 12.915 1.00 3.38 H new ATOM 0 HA LYS A 66 -6.074 5.732 13.712 1.00 4.28 H new ATOM 0 HB2 LYS A 66 -8.252 5.770 11.569 1.00 4.09 H new ATOM 0 HB3 LYS A 66 -7.319 7.168 12.065 1.00 4.09 H new ATOM 0 HG2 LYS A 66 -5.196 5.928 11.459 1.00 3.93 H new ATOM 0 HG3 LYS A 66 -6.166 4.582 10.896 1.00 3.93 H new ATOM 0 HD2 LYS A 66 -5.612 5.966 8.958 1.00 4.32 H new ATOM 0 HD3 LYS A 66 -7.326 6.148 9.271 1.00 4.32 H new ATOM 0 HE2 LYS A 66 -6.916 8.267 10.502 1.00 4.83 H new ATOM 0 HE3 LYS A 66 -5.184 8.067 10.325 1.00 4.83 H new ATOM 0 HZ1 LYS A 66 -6.071 9.541 8.657 1.00 5.28 H new ATOM 0 HZ2 LYS A 66 -5.448 8.139 7.930 1.00 5.28 H new ATOM 0 HZ3 LYS A 66 -7.126 8.333 8.101 1.00 5.28 H new TER 1182 LYS A 66 ATOM 1183 N MET B 1 6.255 -16.435 -4.586 1.00 4.10 N ATOM 1184 CA MET B 1 6.615 -15.024 -4.452 1.00 3.64 C ATOM 1185 C MET B 1 5.404 -14.208 -4.454 1.00 3.21 C ATOM 1186 O MET B 1 5.242 -13.334 -5.333 1.00 3.62 O ATOM 1187 CB MET B 1 7.494 -14.640 -5.645 1.00 4.45 C ATOM 1188 CG MET B 1 8.007 -13.206 -5.498 1.00 5.33 C ATOM 1189 SD MET B 1 9.219 -13.123 -4.170 1.00 5.99 S ATOM 1190 CE MET B 1 9.515 -11.375 -4.481 1.00 6.70 C ATOM 0 H1 MET B 1 6.443 -16.928 -3.690 1.00 4.10 H new ATOM 0 H2 MET B 1 5.245 -16.515 -4.820 1.00 4.10 H new ATOM 0 H3 MET B 1 6.821 -16.867 -5.344 1.00 4.10 H new ATOM 0 HA MET B 1 7.152 -14.858 -3.518 1.00 3.64 H new ATOM 0 HB2 MET B 1 8.337 -15.327 -5.719 1.00 4.45 H new ATOM 0 HB3 MET B 1 6.924 -14.735 -6.569 1.00 4.45 H new ATOM 0 HG2 MET B 1 8.456 -12.873 -6.434 1.00 5.33 H new ATOM 0 HG3 MET B 1 7.176 -12.533 -5.287 1.00 5.33 H new ATOM 0 HE1 MET B 1 10.574 -11.216 -4.685 1.00 6.70 H new ATOM 0 HE2 MET B 1 8.927 -11.054 -5.341 1.00 6.70 H new ATOM 0 HE3 MET B 1 9.223 -10.795 -3.605 1.00 6.70 H new ATOM 1202 N GLU B 2 4.468 -14.393 -3.512 1.00 2.53 N ATOM 1203 CA GLU B 2 3.303 -13.597 -3.507 1.00 2.22 C ATOM 1204 C GLU B 2 2.955 -13.214 -2.141 1.00 1.85 C ATOM 1205 O GLU B 2 1.977 -12.463 -1.940 1.00 1.99 O ATOM 1206 CB GLU B 2 2.136 -14.391 -4.100 1.00 2.48 C ATOM 1207 CG GLU B 2 1.883 -15.642 -3.256 1.00 2.85 C ATOM 1208 CD GLU B 2 2.968 -16.595 -3.466 1.00 3.41 C ATOM 1209 OE1 GLU B 2 3.212 -17.017 -4.617 1.00 3.99 O ATOM 1210 OE2 GLU B 2 3.670 -16.974 -2.504 1.00 3.75 O ATOM 0 H GLU B 2 4.523 -15.086 -2.766 1.00 2.53 H new ATOM 0 HA GLU B 2 3.494 -12.703 -4.100 1.00 2.22 H new ATOM 0 HB2 GLU B 2 1.239 -13.772 -4.128 1.00 2.48 H new ATOM 0 HB3 GLU B 2 2.361 -14.674 -5.128 1.00 2.48 H new ATOM 0 HG2 GLU B 2 1.817 -15.375 -2.201 1.00 2.85 H new ATOM 0 HG3 GLU B 2 0.930 -16.093 -3.531 1.00 2.85 H new ATOM 1217 N LYS B 3 3.666 -13.675 -1.103 1.00 1.85 N ATOM 1218 CA LYS B 3 3.301 -13.313 0.210 1.00 1.95 C ATOM 1219 C LYS B 3 4.503 -13.113 1.011 1.00 1.67 C ATOM 1220 O LYS B 3 5.616 -13.349 0.501 1.00 1.92 O ATOM 1221 CB LYS B 3 2.476 -14.452 0.811 1.00 2.60 C ATOM 1222 CG LYS B 3 3.340 -15.714 0.858 1.00 3.26 C ATOM 1223 CD LYS B 3 2.475 -16.918 1.232 1.00 3.92 C ATOM 1224 CE LYS B 3 2.005 -16.791 2.682 1.00 4.14 C ATOM 1225 NZ LYS B 3 1.210 -17.966 3.033 1.00 4.84 N ATOM 0 H LYS B 3 4.478 -14.287 -1.177 1.00 1.85 H new ATOM 0 HA LYS B 3 2.721 -12.390 0.198 1.00 1.95 H new ATOM 0 HB2 LYS B 3 2.140 -14.187 1.814 1.00 2.60 H new ATOM 0 HB3 LYS B 3 1.583 -14.628 0.212 1.00 2.60 H new ATOM 0 HG2 LYS B 3 3.811 -15.880 -0.111 1.00 3.26 H new ATOM 0 HG3 LYS B 3 4.142 -15.590 1.586 1.00 3.26 H new ATOM 0 HD2 LYS B 3 1.615 -16.980 0.566 1.00 3.92 H new ATOM 0 HD3 LYS B 3 3.044 -17.839 1.104 1.00 3.92 H new ATOM 0 HE2 LYS B 3 2.863 -16.705 3.349 1.00 4.14 H new ATOM 0 HE3 LYS B 3 1.412 -15.885 2.807 1.00 4.14 H new ATOM 0 HZ1 LYS B 3 0.887 -17.885 4.018 1.00 4.84 H new ATOM 0 HZ2 LYS B 3 0.385 -18.028 2.403 1.00 4.84 H new ATOM 0 HZ3 LYS B 3 1.791 -18.822 2.928 1.00 4.84 H new ATOM 1239 N ARG B 4 4.389 -12.679 2.275 1.00 1.50 N ATOM 1240 CA ARG B 4 5.504 -12.465 3.119 1.00 1.29 C ATOM 1241 C ARG B 4 6.082 -13.723 3.593 1.00 1.50 C ATOM 1242 O ARG B 4 5.408 -14.444 4.360 1.00 1.81 O ATOM 1243 CB ARG B 4 4.950 -11.649 4.289 1.00 1.45 C ATOM 1244 CG ARG B 4 5.908 -11.542 5.475 1.00 1.70 C ATOM 1245 CD ARG B 4 5.805 -12.841 6.277 1.00 2.72 C ATOM 1246 NE ARG B 4 6.231 -12.635 7.604 1.00 3.33 N ATOM 1247 CZ ARG B 4 6.318 -13.680 8.438 1.00 4.45 C ATOM 1248 NH1 ARG B 4 6.084 -14.919 7.984 1.00 5.09 N ATOM 1249 NH2 ARG B 4 6.628 -13.493 9.728 1.00 5.20 N ATOM 0 H ARG B 4 3.493 -12.473 2.717 1.00 1.50 H new ATOM 0 HA ARG B 4 6.311 -11.955 2.593 1.00 1.29 H new ATOM 0 HB2 ARG B 4 4.708 -10.646 3.938 1.00 1.45 H new ATOM 0 HB3 ARG B 4 4.018 -12.102 4.627 1.00 1.45 H new ATOM 0 HG2 ARG B 4 6.930 -11.387 5.128 1.00 1.70 H new ATOM 0 HG3 ARG B 4 5.650 -10.686 6.099 1.00 1.70 H new ATOM 0 HD2 ARG B 4 4.775 -13.199 6.270 1.00 2.72 H new ATOM 0 HD3 ARG B 4 6.414 -13.614 5.809 1.00 2.72 H new ATOM 0 HE ARG B 4 6.471 -11.698 7.927 1.00 3.33 H new ATOM 0 HH11 ARG B 4 5.840 -15.066 7.005 1.00 5.09 H new ATOM 0 HH12 ARG B 4 6.150 -15.715 8.618 1.00 5.09 H new ATOM 0 HH21 ARG B 4 6.799 -12.551 10.080 1.00 5.20 H new ATOM 0 HH22 ARG B 4 6.693 -14.293 10.358 1.00 5.20 H new ATOM 1263 N PRO B 5 7.298 -14.137 3.194 1.00 1.56 N ATOM 1264 CA PRO B 5 7.853 -15.345 3.668 1.00 1.84 C ATOM 1265 C PRO B 5 8.464 -15.215 4.963 1.00 1.57 C ATOM 1266 O PRO B 5 8.049 -15.871 5.901 1.00 1.86 O ATOM 1267 CB PRO B 5 8.898 -15.684 2.606 1.00 2.15 C ATOM 1268 CG PRO B 5 9.328 -14.317 2.074 1.00 2.06 C ATOM 1269 CD PRO B 5 8.104 -13.414 2.260 1.00 1.65 C ATOM 0 HA PRO B 5 7.093 -16.114 3.806 1.00 1.84 H new ATOM 0 HB2 PRO B 5 9.739 -16.231 3.032 1.00 2.15 H new ATOM 0 HB3 PRO B 5 8.479 -16.308 1.816 1.00 2.15 H new ATOM 0 HG2 PRO B 5 10.188 -13.933 2.622 1.00 2.06 H new ATOM 0 HG3 PRO B 5 9.619 -14.376 1.025 1.00 2.06 H new ATOM 0 HD2 PRO B 5 8.383 -12.433 2.645 1.00 1.65 H new ATOM 0 HD3 PRO B 5 7.579 -13.250 1.319 1.00 1.65 H new ATOM 1277 N ARG B 6 9.500 -14.420 5.128 1.00 1.20 N ATOM 1278 CA ARG B 6 10.174 -14.329 6.365 1.00 1.13 C ATOM 1279 C ARG B 6 10.456 -12.930 6.680 1.00 1.07 C ATOM 1280 O ARG B 6 11.646 -12.549 6.675 1.00 1.45 O ATOM 1281 CB ARG B 6 11.521 -15.045 6.236 1.00 1.21 C ATOM 1282 CG ARG B 6 11.306 -16.534 5.953 1.00 1.55 C ATOM 1283 CD ARG B 6 12.659 -17.217 5.742 1.00 1.87 C ATOM 1284 NE ARG B 6 13.444 -17.086 6.905 1.00 2.69 N ATOM 1285 CZ ARG B 6 14.680 -16.573 6.826 1.00 3.24 C ATOM 1286 NH1 ARG B 6 15.168 -16.176 5.643 1.00 3.20 N ATOM 1287 NH2 ARG B 6 15.428 -16.457 7.932 1.00 4.21 N ATOM 0 H ARG B 6 9.884 -13.825 4.394 1.00 1.20 H new ATOM 0 HA ARG B 6 9.552 -14.773 7.143 1.00 1.13 H new ATOM 0 HB2 ARG B 6 12.104 -14.596 5.432 1.00 1.21 H new ATOM 0 HB3 ARG B 6 12.096 -14.922 7.154 1.00 1.21 H new ATOM 0 HG2 ARG B 6 10.778 -17.000 6.785 1.00 1.55 H new ATOM 0 HG3 ARG B 6 10.682 -16.660 5.068 1.00 1.55 H new ATOM 0 HD2 ARG B 6 12.512 -18.271 5.508 1.00 1.87 H new ATOM 0 HD3 ARG B 6 13.174 -16.770 4.892 1.00 1.87 H new ATOM 0 HE ARG B 6 13.072 -17.382 7.807 1.00 2.69 H new ATOM 0 HH11 ARG B 6 14.599 -16.264 4.801 1.00 3.20 H new ATOM 0 HH12 ARG B 6 16.109 -15.786 5.584 1.00 3.20 H new ATOM 0 HH21 ARG B 6 15.057 -16.759 8.833 1.00 4.21 H new ATOM 0 HH22 ARG B 6 16.369 -16.067 7.873 1.00 4.21 H new ATOM 1301 N THR B 7 9.458 -12.086 6.986 1.00 0.98 N ATOM 1302 CA THR B 7 9.655 -10.711 7.279 1.00 0.87 C ATOM 1303 C THR B 7 10.673 -10.085 6.437 1.00 0.88 C ATOM 1304 O THR B 7 11.571 -9.394 6.968 1.00 0.89 O ATOM 1305 CB THR B 7 10.101 -10.534 8.735 1.00 0.86 C ATOM 1306 OG1 THR B 7 11.348 -11.185 8.937 1.00 0.94 O ATOM 1307 CG2 THR B 7 9.067 -11.138 9.684 1.00 0.90 C ATOM 0 H THR B 7 8.481 -12.375 7.030 1.00 0.98 H new ATOM 0 HA THR B 7 8.695 -10.230 7.090 1.00 0.87 H new ATOM 0 HB THR B 7 10.200 -9.468 8.940 1.00 0.86 H new ATOM 0 HG1 THR B 7 11.733 -11.430 8.070 1.00 0.94 H new ATOM 0 HG21 THR B 7 9.397 -11.005 10.714 1.00 0.90 H new ATOM 0 HG22 THR B 7 8.108 -10.639 9.543 1.00 0.90 H new ATOM 0 HG23 THR B 7 8.957 -12.202 9.473 1.00 0.90 H new ATOM 1315 N GLU B 8 10.648 -10.232 5.105 1.00 0.91 N ATOM 1316 CA GLU B 8 11.614 -9.594 4.299 1.00 0.98 C ATOM 1317 C GLU B 8 10.949 -8.873 3.218 1.00 0.96 C ATOM 1318 O GLU B 8 11.629 -8.526 2.230 1.00 1.30 O ATOM 1319 CB GLU B 8 12.564 -10.644 3.721 1.00 1.20 C ATOM 1320 CG GLU B 8 11.777 -11.707 2.955 1.00 1.29 C ATOM 1321 CD GLU B 8 12.718 -12.693 2.434 1.00 1.75 C ATOM 1322 OE1 GLU B 8 13.637 -12.334 1.666 1.00 2.23 O ATOM 1323 OE2 GLU B 8 12.611 -13.896 2.756 1.00 2.26 O ATOM 0 H GLU B 8 9.962 -10.790 4.596 1.00 0.91 H new ATOM 0 HA GLU B 8 12.184 -8.886 4.900 1.00 0.98 H new ATOM 0 HB2 GLU B 8 13.284 -10.166 3.057 1.00 1.20 H new ATOM 0 HB3 GLU B 8 13.133 -11.112 4.525 1.00 1.20 H new ATOM 0 HG2 GLU B 8 11.050 -12.186 3.611 1.00 1.29 H new ATOM 0 HG3 GLU B 8 11.217 -11.250 2.139 1.00 1.29 H new ATOM 1330 N PHE B 9 9.634 -8.618 3.334 1.00 0.75 N ATOM 1331 CA PHE B 9 8.807 -7.967 2.381 1.00 0.68 C ATOM 1332 C PHE B 9 8.863 -8.581 1.051 1.00 0.81 C ATOM 1333 O PHE B 9 9.932 -8.692 0.415 1.00 0.93 O ATOM 1334 CB PHE B 9 9.016 -6.444 2.304 1.00 0.55 C ATOM 1335 CG PHE B 9 10.326 -6.033 1.804 1.00 0.57 C ATOM 1336 CD1 PHE B 9 10.599 -6.097 0.443 1.00 0.87 C ATOM 1337 CD2 PHE B 9 11.308 -5.594 2.686 1.00 0.82 C ATOM 1338 CE1 PHE B 9 11.844 -5.707 -0.038 1.00 0.92 C ATOM 1339 CE2 PHE B 9 12.554 -5.205 2.207 1.00 0.89 C ATOM 1340 CZ PHE B 9 12.821 -5.259 0.844 1.00 0.72 C ATOM 0 H PHE B 9 9.113 -8.893 4.166 1.00 0.75 H new ATOM 0 HA PHE B 9 7.797 -8.117 2.763 1.00 0.68 H new ATOM 0 HB2 PHE B 9 8.246 -6.017 1.661 1.00 0.55 H new ATOM 0 HB3 PHE B 9 8.872 -6.020 3.298 1.00 0.55 H new ATOM 0 HD1 PHE B 9 9.843 -6.450 -0.242 1.00 0.87 H new ATOM 0 HD2 PHE B 9 11.102 -5.555 3.745 1.00 0.82 H new ATOM 0 HE1 PHE B 9 12.052 -5.752 -1.097 1.00 0.92 H new ATOM 0 HE2 PHE B 9 13.314 -4.861 2.893 1.00 0.89 H new ATOM 0 HZ PHE B 9 13.787 -4.953 0.470 1.00 0.72 H new ATOM 1350 N SER B 10 7.718 -8.986 0.482 1.00 0.92 N ATOM 1351 CA SER B 10 7.728 -9.578 -0.800 1.00 1.07 C ATOM 1352 C SER B 10 7.300 -8.605 -1.798 1.00 0.95 C ATOM 1353 O SER B 10 7.061 -7.429 -1.450 1.00 0.79 O ATOM 1354 CB SER B 10 6.779 -10.776 -0.823 1.00 1.27 C ATOM 1355 OG SER B 10 6.937 -11.481 -2.046 1.00 1.65 O ATOM 0 H SER B 10 6.796 -8.902 0.911 1.00 0.92 H new ATOM 0 HA SER B 10 8.740 -9.911 -1.029 1.00 1.07 H new ATOM 0 HB2 SER B 10 6.988 -11.436 0.019 1.00 1.27 H new ATOM 0 HB3 SER B 10 5.748 -10.439 -0.716 1.00 1.27 H new ATOM 0 HG SER B 10 7.870 -11.764 -2.142 1.00 1.65 H new ATOM 1361 N GLU B 11 7.125 -8.976 -3.076 1.00 1.08 N ATOM 1362 CA GLU B 11 6.731 -8.026 -4.044 1.00 1.08 C ATOM 1363 C GLU B 11 5.388 -7.529 -3.773 1.00 0.97 C ATOM 1364 O GLU B 11 5.029 -6.436 -4.259 1.00 0.94 O ATOM 1365 CB GLU B 11 6.777 -8.633 -5.448 1.00 1.26 C ATOM 1366 CG GLU B 11 5.740 -9.752 -5.564 1.00 1.21 C ATOM 1367 CD GLU B 11 5.780 -10.310 -6.913 1.00 1.81 C ATOM 1368 OE1 GLU B 11 6.833 -10.828 -7.344 1.00 2.29 O ATOM 1369 OE2 GLU B 11 4.763 -10.266 -7.637 1.00 2.60 O ATOM 0 H GLU B 11 7.256 -9.924 -3.429 1.00 1.08 H new ATOM 0 HA GLU B 11 7.432 -7.193 -3.991 1.00 1.08 H new ATOM 0 HB2 GLU B 11 6.579 -7.863 -6.194 1.00 1.26 H new ATOM 0 HB3 GLU B 11 7.773 -9.026 -5.652 1.00 1.26 H new ATOM 0 HG2 GLU B 11 5.945 -10.531 -4.830 1.00 1.21 H new ATOM 0 HG3 GLU B 11 4.744 -9.365 -5.348 1.00 1.21 H new ATOM 1376 N GLU B 12 4.560 -8.229 -2.988 1.00 0.93 N ATOM 1377 CA GLU B 12 3.281 -7.745 -2.663 1.00 0.82 C ATOM 1378 C GLU B 12 3.429 -6.552 -1.834 1.00 0.71 C ATOM 1379 O GLU B 12 2.713 -5.543 -2.024 1.00 0.70 O ATOM 1380 CB GLU B 12 2.583 -8.837 -1.849 1.00 0.86 C ATOM 1381 CG GLU B 12 1.129 -8.447 -1.586 1.00 1.17 C ATOM 1382 CD GLU B 12 0.410 -8.400 -2.855 1.00 2.12 C ATOM 1383 OE1 GLU B 12 0.396 -9.403 -3.601 1.00 2.73 O ATOM 1384 OE2 GLU B 12 -0.203 -7.364 -3.190 1.00 2.45 O ATOM 0 H GLU B 12 4.787 -9.136 -2.580 1.00 0.93 H new ATOM 0 HA GLU B 12 2.709 -7.497 -3.557 1.00 0.82 H new ATOM 0 HB2 GLU B 12 2.622 -9.784 -2.387 1.00 0.86 H new ATOM 0 HB3 GLU B 12 3.104 -8.986 -0.904 1.00 0.86 H new ATOM 0 HG2 GLU B 12 0.662 -9.168 -0.916 1.00 1.17 H new ATOM 0 HG3 GLU B 12 1.084 -7.476 -1.092 1.00 1.17 H new ATOM 1391 N GLN B 13 4.373 -6.566 -0.882 1.00 0.67 N ATOM 1392 CA GLN B 13 4.534 -5.502 0.025 1.00 0.57 C ATOM 1393 C GLN B 13 5.459 -4.504 -0.508 1.00 0.52 C ATOM 1394 O GLN B 13 5.523 -3.377 0.028 1.00 0.47 O ATOM 1395 CB GLN B 13 5.085 -6.152 1.292 1.00 0.62 C ATOM 1396 CG GLN B 13 4.064 -7.207 1.727 1.00 0.82 C ATOM 1397 CD GLN B 13 4.635 -8.078 2.745 1.00 1.47 C ATOM 1398 OE1 GLN B 13 5.620 -8.790 2.456 1.00 2.34 O ATOM 1399 NE2 GLN B 13 4.092 -8.155 3.967 1.00 2.04 N ATOM 0 H GLN B 13 5.031 -7.334 -0.748 1.00 0.67 H new ATOM 0 HA GLN B 13 3.600 -4.972 0.215 1.00 0.57 H new ATOM 0 HB2 GLN B 13 6.056 -6.609 1.101 1.00 0.62 H new ATOM 0 HB3 GLN B 13 5.231 -5.409 2.076 1.00 0.62 H new ATOM 0 HG2 GLN B 13 3.171 -6.719 2.117 1.00 0.82 H new ATOM 0 HG3 GLN B 13 3.754 -7.799 0.866 1.00 0.82 H new ATOM 0 HE21 GLN B 13 3.288 -7.575 4.205 1.00 2.04 H new ATOM 0 HE22 GLN B 13 4.483 -8.794 4.659 1.00 2.04 H new ATOM 1408 N LYS B 14 6.216 -4.790 -1.579 1.00 0.57 N ATOM 1409 CA LYS B 14 7.016 -3.798 -2.187 1.00 0.57 C ATOM 1410 C LYS B 14 6.105 -2.835 -2.794 1.00 0.60 C ATOM 1411 O LYS B 14 6.275 -1.608 -2.622 1.00 0.60 O ATOM 1412 CB LYS B 14 7.908 -4.426 -3.261 1.00 0.65 C ATOM 1413 CG LYS B 14 9.089 -5.135 -2.592 1.00 0.67 C ATOM 1414 CD LYS B 14 9.875 -5.964 -3.613 1.00 1.04 C ATOM 1415 CE LYS B 14 10.258 -5.097 -4.812 1.00 1.36 C ATOM 1416 NZ LYS B 14 10.975 -5.908 -5.794 1.00 1.71 N ATOM 0 H LYS B 14 6.269 -5.709 -2.017 1.00 0.57 H new ATOM 0 HA LYS B 14 7.664 -3.316 -1.455 1.00 0.57 H new ATOM 0 HB2 LYS B 14 7.334 -5.136 -3.857 1.00 0.65 H new ATOM 0 HB3 LYS B 14 8.271 -3.657 -3.943 1.00 0.65 H new ATOM 0 HG2 LYS B 14 9.747 -4.399 -2.131 1.00 0.67 H new ATOM 0 HG3 LYS B 14 8.726 -5.782 -1.794 1.00 0.67 H new ATOM 0 HD2 LYS B 14 10.773 -6.372 -3.148 1.00 1.04 H new ATOM 0 HD3 LYS B 14 9.275 -6.811 -3.944 1.00 1.04 H new ATOM 0 HE2 LYS B 14 9.364 -4.667 -5.263 1.00 1.36 H new ATOM 0 HE3 LYS B 14 10.882 -4.265 -4.487 1.00 1.36 H new ATOM 0 HZ1 LYS B 14 11.235 -5.317 -6.609 1.00 1.71 H new ATOM 0 HZ2 LYS B 14 11.836 -6.298 -5.360 1.00 1.71 H new ATOM 0 HZ3 LYS B 14 10.365 -6.688 -6.112 1.00 1.71 H new ATOM 1430 N LYS B 15 5.080 -3.305 -3.521 1.00 0.68 N ATOM 1431 CA LYS B 15 4.118 -2.442 -4.084 1.00 0.73 C ATOM 1432 C LYS B 15 3.415 -1.711 -3.036 1.00 0.66 C ATOM 1433 O LYS B 15 3.261 -0.479 -3.158 1.00 0.70 O ATOM 1434 CB LYS B 15 3.068 -3.268 -4.823 1.00 0.82 C ATOM 1435 CG LYS B 15 3.709 -4.030 -5.981 1.00 0.97 C ATOM 1436 CD LYS B 15 2.613 -4.803 -6.714 1.00 1.51 C ATOM 1437 CE LYS B 15 2.110 -5.959 -5.844 1.00 1.07 C ATOM 1438 NZ LYS B 15 1.444 -5.441 -4.648 1.00 1.94 N ATOM 0 H LYS B 15 4.925 -4.294 -3.715 1.00 0.68 H new ATOM 0 HA LYS B 15 4.633 -1.753 -4.754 1.00 0.73 H new ATOM 0 HB2 LYS B 15 2.597 -3.969 -4.134 1.00 0.82 H new ATOM 0 HB3 LYS B 15 2.281 -2.615 -5.200 1.00 0.82 H new ATOM 0 HG2 LYS B 15 4.206 -3.338 -6.662 1.00 0.97 H new ATOM 0 HG3 LYS B 15 4.472 -4.714 -5.609 1.00 0.97 H new ATOM 0 HD2 LYS B 15 1.787 -4.135 -6.957 1.00 1.51 H new ATOM 0 HD3 LYS B 15 2.999 -5.189 -7.657 1.00 1.51 H new ATOM 0 HE2 LYS B 15 1.418 -6.578 -6.415 1.00 1.07 H new ATOM 0 HE3 LYS B 15 2.946 -6.597 -5.556 1.00 1.07 H new ATOM 0 HZ1 LYS B 15 0.716 -6.115 -4.337 1.00 1.94 H new ATOM 0 HZ2 LYS B 15 2.144 -5.312 -3.889 1.00 1.94 H new ATOM 0 HZ3 LYS B 15 0.999 -4.527 -4.867 1.00 1.94 H new ATOM 1452 N ALA B 16 2.934 -2.364 -1.966 1.00 0.58 N ATOM 1453 CA ALA B 16 2.186 -1.705 -0.962 1.00 0.53 C ATOM 1454 C ALA B 16 2.856 -0.508 -0.458 1.00 0.50 C ATOM 1455 O ALA B 16 2.214 0.561 -0.357 1.00 0.60 O ATOM 1456 CB ALA B 16 1.993 -2.671 0.207 1.00 0.46 C ATOM 0 H ALA B 16 3.069 -3.362 -1.802 1.00 0.58 H new ATOM 0 HA ALA B 16 1.237 -1.398 -1.403 1.00 0.53 H new ATOM 0 HB1 ALA B 16 1.418 -2.181 0.993 1.00 0.46 H new ATOM 0 HB2 ALA B 16 1.457 -3.556 -0.137 1.00 0.46 H new ATOM 0 HB3 ALA B 16 2.966 -2.966 0.600 1.00 0.46 H new ATOM 1462 N LEU B 17 4.148 -0.531 -0.099 1.00 0.44 N ATOM 1463 CA LEU B 17 4.741 0.649 0.401 1.00 0.46 C ATOM 1464 C LEU B 17 4.859 1.672 -0.637 1.00 0.57 C ATOM 1465 O LEU B 17 4.985 2.865 -0.287 1.00 0.71 O ATOM 1466 CB LEU B 17 6.132 0.346 0.959 1.00 0.42 C ATOM 1467 CG LEU B 17 6.032 -0.027 2.440 1.00 0.36 C ATOM 1468 CD1 LEU B 17 5.069 -1.202 2.620 1.00 0.38 C ATOM 1469 CD2 LEU B 17 7.416 -0.414 2.966 1.00 0.38 C ATOM 0 H LEU B 17 4.761 -1.344 -0.155 1.00 0.44 H new ATOM 0 HA LEU B 17 4.095 1.028 1.193 1.00 0.46 H new ATOM 0 HB2 LEU B 17 6.587 -0.471 0.400 1.00 0.42 H new ATOM 0 HB3 LEU B 17 6.779 1.215 0.837 1.00 0.42 H new ATOM 0 HG LEU B 17 5.657 0.830 2.999 1.00 0.36 H new ATOM 0 HD11 LEU B 17 5.004 -1.461 3.677 1.00 0.38 H new ATOM 0 HD12 LEU B 17 4.081 -0.922 2.253 1.00 0.38 H new ATOM 0 HD13 LEU B 17 5.435 -2.061 2.058 1.00 0.38 H new ATOM 0 HD21 LEU B 17 7.343 -0.679 4.021 1.00 0.38 H new ATOM 0 HD22 LEU B 17 7.794 -1.267 2.402 1.00 0.38 H new ATOM 0 HD23 LEU B 17 8.098 0.428 2.850 1.00 0.38 H new ATOM 1481 N ASP B 18 4.811 1.371 -1.945 1.00 0.59 N ATOM 1482 CA ASP B 18 4.911 2.388 -2.923 1.00 0.70 C ATOM 1483 C ASP B 18 3.724 3.240 -2.942 1.00 0.73 C ATOM 1484 O ASP B 18 3.725 4.280 -3.636 1.00 0.82 O ATOM 1485 CB ASP B 18 5.088 1.777 -4.314 1.00 0.76 C ATOM 1486 CG ASP B 18 5.311 2.845 -5.286 1.00 0.97 C ATOM 1487 OD1 ASP B 18 4.447 3.736 -5.441 1.00 1.25 O ATOM 1488 OD2 ASP B 18 6.354 2.867 -5.972 1.00 1.74 O ATOM 0 H ASP B 18 4.703 0.427 -2.317 1.00 0.59 H new ATOM 0 HA ASP B 18 5.779 2.994 -2.662 1.00 0.70 H new ATOM 0 HB2 ASP B 18 5.931 1.086 -4.316 1.00 0.76 H new ATOM 0 HB3 ASP B 18 4.204 1.201 -4.586 1.00 0.76 H new ATOM 1493 N LEU B 19 2.625 2.919 -2.244 1.00 0.67 N ATOM 1494 CA LEU B 19 1.505 3.768 -2.295 1.00 0.70 C ATOM 1495 C LEU B 19 1.644 4.849 -1.323 1.00 0.70 C ATOM 1496 O LEU B 19 0.803 5.773 -1.338 1.00 0.84 O ATOM 1497 CB LEU B 19 0.239 2.982 -1.944 1.00 0.60 C ATOM 1498 CG LEU B 19 -0.235 2.151 -3.139 1.00 0.68 C ATOM 1499 CD1 LEU B 19 0.785 1.059 -3.456 1.00 1.16 C ATOM 1500 CD2 LEU B 19 -1.578 1.500 -2.807 1.00 0.69 C ATOM 0 H LEU B 19 2.521 2.089 -1.660 1.00 0.67 H new ATOM 0 HA LEU B 19 1.435 4.176 -3.303 1.00 0.70 H new ATOM 0 HB2 LEU B 19 0.436 2.327 -1.095 1.00 0.60 H new ATOM 0 HB3 LEU B 19 -0.549 3.671 -1.639 1.00 0.60 H new ATOM 0 HG LEU B 19 -0.343 2.805 -4.004 1.00 0.68 H new ATOM 0 HD11 LEU B 19 0.438 0.473 -4.308 1.00 1.16 H new ATOM 0 HD12 LEU B 19 1.745 1.516 -3.697 1.00 1.16 H new ATOM 0 HD13 LEU B 19 0.901 0.407 -2.590 1.00 1.16 H new ATOM 0 HD21 LEU B 19 -1.916 0.908 -3.658 1.00 0.69 H new ATOM 0 HD22 LEU B 19 -1.464 0.853 -1.937 1.00 0.69 H new ATOM 0 HD23 LEU B 19 -2.314 2.274 -2.589 1.00 0.69 H new ATOM 1512 N ALA B 20 2.637 4.875 -0.420 1.00 0.62 N ATOM 1513 CA ALA B 20 2.654 5.915 0.533 1.00 0.69 C ATOM 1514 C ALA B 20 3.640 6.948 0.228 1.00 0.83 C ATOM 1515 O ALA B 20 3.220 8.079 -0.096 1.00 1.20 O ATOM 1516 CB ALA B 20 2.989 5.321 1.901 1.00 0.72 C ATOM 0 H ALA B 20 3.398 4.199 -0.355 1.00 0.62 H new ATOM 0 HA ALA B 20 1.669 6.382 0.521 1.00 0.69 H new ATOM 0 HB1 ALA B 20 3.006 6.115 2.648 1.00 0.72 H new ATOM 0 HB2 ALA B 20 2.234 4.583 2.172 1.00 0.72 H new ATOM 0 HB3 ALA B 20 3.967 4.841 1.860 1.00 0.72 H new ATOM 1522 N PHE B 21 4.954 6.666 0.283 1.00 0.88 N ATOM 1523 CA PHE B 21 5.961 7.638 0.053 1.00 1.17 C ATOM 1524 C PHE B 21 5.526 9.008 0.323 1.00 1.60 C ATOM 1525 O PHE B 21 5.315 9.349 1.509 1.00 2.21 O ATOM 1526 CB PHE B 21 6.546 7.480 -1.350 1.00 1.29 C ATOM 1527 CG PHE B 21 7.428 6.318 -1.320 1.00 1.15 C ATOM 1528 CD1 PHE B 21 6.899 5.040 -1.192 1.00 1.40 C ATOM 1529 CD2 PHE B 21 8.803 6.494 -1.409 1.00 1.63 C ATOM 1530 CE1 PHE B 21 7.747 3.942 -1.114 1.00 1.60 C ATOM 1531 CE2 PHE B 21 9.650 5.394 -1.336 1.00 1.73 C ATOM 1532 CZ PHE B 21 9.123 4.119 -1.178 1.00 1.50 C ATOM 0 H PHE B 21 5.319 5.737 0.493 1.00 0.88 H new ATOM 0 HA PHE B 21 6.753 7.450 0.778 1.00 1.17 H new ATOM 0 HB2 PHE B 21 5.753 7.342 -2.085 1.00 1.29 H new ATOM 0 HB3 PHE B 21 7.097 8.374 -1.640 1.00 1.29 H new ATOM 0 HD1 PHE B 21 5.829 4.900 -1.153 1.00 1.40 H new ATOM 0 HD2 PHE B 21 9.214 7.485 -1.535 1.00 1.63 H new ATOM 0 HE1 PHE B 21 7.336 2.950 -1.003 1.00 1.60 H new ATOM 0 HE2 PHE B 21 10.719 5.531 -1.402 1.00 1.73 H new ATOM 0 HZ PHE B 21 9.782 3.266 -1.105 1.00 1.50 H new ATOM 1542 N TYR B 22 5.398 9.897 -0.677 1.00 1.98 N ATOM 1543 CA TYR B 22 5.025 11.230 -0.400 1.00 2.49 C ATOM 1544 C TYR B 22 6.089 11.776 0.439 1.00 2.37 C ATOM 1545 O TYR B 22 7.269 11.718 0.029 1.00 2.86 O ATOM 1546 CB TYR B 22 3.631 11.277 0.242 1.00 3.05 C ATOM 1547 CG TYR B 22 3.089 12.635 0.232 1.00 4.38 C ATOM 1548 CD1 TYR B 22 2.889 13.287 -0.979 1.00 4.57 C ATOM 1549 CD2 TYR B 22 2.721 13.256 1.421 1.00 4.86 C ATOM 1550 CE1 TYR B 22 2.341 14.564 -1.001 1.00 5.05 C ATOM 1551 CE2 TYR B 22 2.172 14.532 1.399 1.00 5.32 C ATOM 1552 CZ TYR B 22 1.985 15.188 0.188 1.00 5.69 C ATOM 1553 OH TYR B 22 1.461 16.432 0.164 1.00 5.95 O ATOM 0 H TYR B 22 5.553 9.687 -1.663 1.00 1.98 H new ATOM 0 HA TYR B 22 4.929 11.839 -1.299 1.00 2.49 H new ATOM 0 HB2 TYR B 22 2.957 10.610 -0.296 1.00 3.05 H new ATOM 0 HB3 TYR B 22 3.688 10.913 1.268 1.00 3.05 H new ATOM 0 HD1 TYR B 22 3.160 12.801 -1.904 1.00 4.57 H new ATOM 0 HD2 TYR B 22 2.862 12.746 2.362 1.00 4.86 H new ATOM 0 HE1 TYR B 22 2.192 15.071 -1.943 1.00 5.05 H new ATOM 0 HE2 TYR B 22 1.890 15.014 2.323 1.00 5.32 H new ATOM 0 HH TYR B 22 0.485 16.375 0.095 1.00 5.95 H new ATOM 1563 N PHE B 23 5.834 12.349 1.621 1.00 2.53 N ATOM 1564 CA PHE B 23 6.901 12.824 2.407 1.00 3.15 C ATOM 1565 C PHE B 23 6.812 12.148 3.694 1.00 3.06 C ATOM 1566 O PHE B 23 7.743 11.402 4.069 1.00 3.59 O ATOM 1567 CB PHE B 23 6.767 14.335 2.600 1.00 3.86 C ATOM 1568 CG PHE B 23 6.831 14.976 1.291 1.00 4.36 C ATOM 1569 CD1 PHE B 23 8.031 15.013 0.592 1.00 5.13 C ATOM 1570 CD2 PHE B 23 5.692 15.561 0.751 1.00 4.54 C ATOM 1571 CE1 PHE B 23 8.087 15.615 -0.659 1.00 5.84 C ATOM 1572 CE2 PHE B 23 5.747 16.162 -0.501 1.00 5.32 C ATOM 1573 CZ PHE B 23 6.944 16.185 -1.207 1.00 6.77 C ATOM 0 H PHE B 23 4.904 12.479 2.021 1.00 2.53 H new ATOM 0 HA PHE B 23 7.861 12.627 1.929 1.00 3.15 H new ATOM 0 HB2 PHE B 23 5.824 14.572 3.092 1.00 3.86 H new ATOM 0 HB3 PHE B 23 7.564 14.707 3.243 1.00 3.86 H new ATOM 0 HD1 PHE B 23 8.920 14.574 1.021 1.00 5.13 H new ATOM 0 HD2 PHE B 23 4.764 15.549 1.304 1.00 4.54 H new ATOM 0 HE1 PHE B 23 9.018 15.640 -1.205 1.00 5.84 H new ATOM 0 HE2 PHE B 23 4.861 16.611 -0.925 1.00 5.32 H new ATOM 0 HZ PHE B 23 6.986 16.646 -2.183 1.00 6.77 H new ATOM 1583 N ASP B 24 5.725 12.308 4.460 1.00 2.69 N ATOM 1584 CA ASP B 24 5.599 11.581 5.660 1.00 2.83 C ATOM 1585 C ASP B 24 4.318 10.881 5.642 1.00 2.45 C ATOM 1586 O ASP B 24 3.539 11.026 6.608 1.00 2.75 O ATOM 1587 CB ASP B 24 5.634 12.534 6.857 1.00 3.32 C ATOM 1588 CG ASP B 24 6.934 13.196 6.929 1.00 3.96 C ATOM 1589 OD1 ASP B 24 7.977 12.518 7.050 1.00 4.51 O ATOM 1590 OD2 ASP B 24 7.002 14.444 6.883 1.00 4.25 O ATOM 0 H ASP B 24 4.948 12.933 4.246 1.00 2.69 H new ATOM 0 HA ASP B 24 6.422 10.872 5.748 1.00 2.83 H new ATOM 0 HB2 ASP B 24 4.842 13.278 6.764 1.00 3.32 H new ATOM 0 HB3 ASP B 24 5.446 11.982 7.778 1.00 3.32 H new ATOM 1595 N ARG B 25 3.956 10.138 4.584 1.00 2.47 N ATOM 1596 CA ARG B 25 2.715 9.463 4.578 1.00 2.98 C ATOM 1597 C ARG B 25 2.737 8.336 5.510 1.00 2.30 C ATOM 1598 O ARG B 25 1.950 8.303 6.481 1.00 2.72 O ATOM 1599 CB ARG B 25 2.415 8.967 3.164 1.00 4.08 C ATOM 1600 CG ARG B 25 0.993 8.407 3.109 1.00 4.68 C ATOM 1601 CD ARG B 25 -0.004 9.564 3.195 1.00 5.32 C ATOM 1602 NE ARG B 25 -0.107 9.996 4.534 1.00 5.75 N ATOM 1603 CZ ARG B 25 -0.822 11.089 4.836 1.00 6.57 C ATOM 1604 NH1 ARG B 25 -1.434 11.782 3.867 1.00 7.03 N ATOM 1605 NH2 ARG B 25 -0.924 11.491 6.110 1.00 7.21 N ATOM 0 H ARG B 25 4.521 10.010 3.745 1.00 2.47 H new ATOM 0 HA ARG B 25 1.934 10.154 4.896 1.00 2.98 H new ATOM 0 HB2 ARG B 25 2.523 9.784 2.450 1.00 4.08 H new ATOM 0 HB3 ARG B 25 3.131 8.197 2.878 1.00 4.08 H new ATOM 0 HG2 ARG B 25 0.844 7.850 2.184 1.00 4.68 H new ATOM 0 HG3 ARG B 25 0.831 7.709 3.931 1.00 4.68 H new ATOM 0 HD2 ARG B 25 0.322 10.388 2.560 1.00 5.32 H new ATOM 0 HD3 ARG B 25 -0.980 9.246 2.828 1.00 5.32 H new ATOM 0 HE ARG B 25 0.364 9.475 5.274 1.00 5.75 H new ATOM 0 HH11 ARG B 25 -1.357 11.479 2.896 1.00 7.03 H new ATOM 0 HH12 ARG B 25 -1.977 12.613 4.100 1.00 7.03 H new ATOM 0 HH21 ARG B 25 -0.458 10.965 6.849 1.00 7.21 H new ATOM 0 HH22 ARG B 25 -1.468 12.323 6.340 1.00 7.21 H new ATOM 1619 N ARG B 26 3.594 7.324 5.306 1.00 1.75 N ATOM 1620 CA ARG B 26 3.659 6.254 6.222 1.00 1.34 C ATOM 1621 C ARG B 26 5.062 6.010 6.542 1.00 1.19 C ATOM 1622 O ARG B 26 5.563 4.907 6.235 1.00 2.05 O ATOM 1623 CB ARG B 26 3.143 4.956 5.596 1.00 2.02 C ATOM 1624 CG ARG B 26 1.697 5.071 5.111 1.00 2.50 C ATOM 1625 CD ARG B 26 0.725 5.238 6.279 1.00 2.91 C ATOM 1626 NE ARG B 26 -0.592 5.165 5.778 1.00 3.64 N ATOM 1627 CZ ARG B 26 -1.529 6.023 6.204 1.00 4.57 C ATOM 1628 NH1 ARG B 26 -1.197 7.008 7.050 1.00 5.01 N ATOM 1629 NH2 ARG B 26 -2.795 5.905 5.777 1.00 5.37 N ATOM 0 H ARG B 26 4.232 7.254 4.513 1.00 1.75 H new ATOM 0 HA ARG B 26 3.059 6.520 7.093 1.00 1.34 H new ATOM 0 HB2 ARG B 26 3.783 4.682 4.757 1.00 2.02 H new ATOM 0 HB3 ARG B 26 3.214 4.151 6.327 1.00 2.02 H new ATOM 0 HG2 ARG B 26 1.605 5.922 4.436 1.00 2.50 H new ATOM 0 HG3 ARG B 26 1.432 4.181 4.540 1.00 2.50 H new ATOM 0 HD2 ARG B 26 0.891 4.460 7.024 1.00 2.91 H new ATOM 0 HD3 ARG B 26 0.889 6.195 6.775 1.00 2.91 H new ATOM 0 HE ARG B 26 -0.832 4.454 5.087 1.00 3.64 H new ATOM 0 HH11 ARG B 26 -0.233 7.103 7.368 1.00 5.01 H new ATOM 0 HH12 ARG B 26 -1.909 7.662 7.375 1.00 5.01 H new ATOM 0 HH21 ARG B 26 -3.047 5.161 5.126 1.00 5.37 H new ATOM 0 HH22 ARG B 26 -3.506 6.559 6.103 1.00 5.37 H new ATOM 1643 N LEU B 27 5.829 6.929 7.146 1.00 0.90 N ATOM 1644 CA LEU B 27 7.193 6.626 7.343 1.00 0.73 C ATOM 1645 C LEU B 27 7.652 7.011 8.676 1.00 0.77 C ATOM 1646 O LEU B 27 8.863 6.895 8.960 1.00 1.03 O ATOM 1647 CB LEU B 27 7.988 7.379 6.272 1.00 0.72 C ATOM 1648 CG LEU B 27 9.431 6.871 6.203 1.00 0.80 C ATOM 1649 CD1 LEU B 27 10.264 7.444 7.351 1.00 1.23 C ATOM 1650 CD2 LEU B 27 9.443 5.342 6.275 1.00 0.87 C ATOM 0 H LEU B 27 5.517 7.840 7.482 1.00 0.90 H new ATOM 0 HA LEU B 27 7.341 5.549 7.262 1.00 0.73 H new ATOM 0 HB2 LEU B 27 7.508 7.254 5.302 1.00 0.72 H new ATOM 0 HB3 LEU B 27 7.984 8.446 6.494 1.00 0.72 H new ATOM 0 HG LEU B 27 9.868 7.199 5.260 1.00 0.80 H new ATOM 0 HD11 LEU B 27 11.285 7.069 7.282 1.00 1.23 H new ATOM 0 HD12 LEU B 27 10.271 8.532 7.287 1.00 1.23 H new ATOM 0 HD13 LEU B 27 9.830 7.139 8.303 1.00 1.23 H new ATOM 0 HD21 LEU B 27 10.471 4.983 6.226 1.00 0.87 H new ATOM 0 HD22 LEU B 27 8.990 5.018 7.212 1.00 0.87 H new ATOM 0 HD23 LEU B 27 8.876 4.934 5.438 1.00 0.87 H new ATOM 1662 N THR B 28 6.805 7.442 9.619 1.00 0.82 N ATOM 1663 CA THR B 28 7.324 7.797 10.882 1.00 0.93 C ATOM 1664 C THR B 28 7.062 6.688 11.794 1.00 0.87 C ATOM 1665 O THR B 28 6.348 5.751 11.385 1.00 0.80 O ATOM 1666 CB THR B 28 6.652 9.087 11.359 1.00 1.12 C ATOM 1667 OG1 THR B 28 5.286 8.835 11.646 1.00 1.30 O ATOM 1668 CG2 THR B 28 6.747 10.134 10.248 1.00 1.25 C ATOM 0 H THR B 28 5.796 7.541 9.509 1.00 0.82 H new ATOM 0 HA THR B 28 8.397 7.981 10.837 1.00 0.93 H new ATOM 0 HB THR B 28 7.149 9.449 12.259 1.00 1.12 H new ATOM 0 HG1 THR B 28 4.858 9.662 11.953 1.00 1.30 H new ATOM 0 HG21 THR B 28 6.271 11.058 10.577 1.00 1.25 H new ATOM 0 HG22 THR B 28 7.795 10.327 10.019 1.00 1.25 H new ATOM 0 HG23 THR B 28 6.243 9.764 9.355 1.00 1.25 H new ATOM 1676 N PRO B 29 7.593 6.624 13.026 1.00 0.93 N ATOM 1677 CA PRO B 29 7.365 5.532 13.900 1.00 0.90 C ATOM 1678 C PRO B 29 5.990 5.163 14.056 1.00 0.82 C ATOM 1679 O PRO B 29 5.690 3.982 14.102 1.00 0.81 O ATOM 1680 CB PRO B 29 7.939 6.023 15.229 1.00 1.01 C ATOM 1681 CG PRO B 29 9.055 6.966 14.786 1.00 1.10 C ATOM 1682 CD PRO B 29 8.474 7.624 13.535 1.00 1.06 C ATOM 0 HA PRO B 29 7.825 4.626 13.507 1.00 0.90 H new ATOM 0 HB2 PRO B 29 7.188 6.538 15.829 1.00 1.01 H new ATOM 0 HB3 PRO B 29 8.321 5.200 15.834 1.00 1.01 H new ATOM 0 HG2 PRO B 29 9.291 7.701 15.556 1.00 1.10 H new ATOM 0 HG3 PRO B 29 9.976 6.426 14.567 1.00 1.10 H new ATOM 0 HD2 PRO B 29 7.943 8.546 13.773 1.00 1.06 H new ATOM 0 HD3 PRO B 29 9.252 7.881 12.816 1.00 1.06 H new ATOM 1690 N GLU B 30 5.041 6.069 14.113 1.00 0.82 N ATOM 1691 CA GLU B 30 3.700 5.666 14.295 1.00 0.81 C ATOM 1692 C GLU B 30 3.116 5.164 13.051 1.00 0.79 C ATOM 1693 O GLU B 30 1.988 4.627 13.080 1.00 0.84 O ATOM 1694 CB GLU B 30 2.878 6.850 14.806 1.00 0.88 C ATOM 1695 CG GLU B 30 3.457 7.323 16.142 1.00 1.45 C ATOM 1696 CD GLU B 30 3.278 6.282 17.150 1.00 2.08 C ATOM 1697 OE1 GLU B 30 3.820 5.165 16.997 1.00 2.61 O ATOM 1698 OE2 GLU B 30 2.588 6.507 18.167 1.00 2.70 O ATOM 0 H GLU B 30 5.188 7.075 14.035 1.00 0.82 H new ATOM 0 HA GLU B 30 3.685 4.856 15.024 1.00 0.81 H new ATOM 0 HB2 GLU B 30 2.897 7.662 14.079 1.00 0.88 H new ATOM 0 HB3 GLU B 30 1.835 6.558 14.930 1.00 0.88 H new ATOM 0 HG2 GLU B 30 4.516 7.555 16.029 1.00 1.45 H new ATOM 0 HG3 GLU B 30 2.962 8.240 16.460 1.00 1.45 H new ATOM 1705 N TRP B 31 3.772 5.271 11.887 1.00 0.77 N ATOM 1706 CA TRP B 31 3.235 4.710 10.713 1.00 0.78 C ATOM 1707 C TRP B 31 4.054 3.565 10.320 1.00 0.69 C ATOM 1708 O TRP B 31 3.701 2.846 9.361 1.00 0.70 O ATOM 1709 CB TRP B 31 3.192 5.732 9.580 1.00 0.92 C ATOM 1710 CG TRP B 31 2.289 6.826 9.926 1.00 1.37 C ATOM 1711 CD1 TRP B 31 2.624 8.162 10.128 1.00 2.28 C ATOM 1712 CD2 TRP B 31 0.924 6.736 10.144 1.00 1.67 C ATOM 1713 NE1 TRP B 31 1.511 8.847 10.449 1.00 2.57 N ATOM 1714 CE2 TRP B 31 0.472 7.998 10.465 1.00 2.12 C ATOM 1715 CE3 TRP B 31 0.071 5.647 10.084 1.00 2.37 C ATOM 1716 CZ2 TRP B 31 -0.866 8.231 10.744 1.00 2.59 C ATOM 1717 CZ3 TRP B 31 -1.276 5.867 10.366 1.00 3.12 C ATOM 1718 CH2 TRP B 31 -1.738 7.144 10.692 1.00 3.02 C ATOM 0 H TRP B 31 4.668 5.744 11.768 1.00 0.77 H new ATOM 0 HA TRP B 31 2.212 4.391 10.911 1.00 0.78 H new ATOM 0 HB2 TRP B 31 4.193 6.121 9.393 1.00 0.92 H new ATOM 0 HB3 TRP B 31 2.859 5.252 8.660 1.00 0.92 H new ATOM 0 HD1 TRP B 31 3.616 8.581 10.041 1.00 2.28 H new ATOM 0 HE1 TRP B 31 1.465 9.846 10.647 1.00 2.57 H new ATOM 0 HE3 TRP B 31 0.436 4.663 9.828 1.00 2.37 H new ATOM 0 HZ2 TRP B 31 -1.221 9.220 10.993 1.00 2.59 H new ATOM 0 HZ3 TRP B 31 -1.970 5.041 10.332 1.00 3.12 H new ATOM 0 HH2 TRP B 31 -2.786 7.292 10.907 1.00 3.02 H new ATOM 1729 N ARG B 32 5.175 3.276 10.997 1.00 0.68 N ATOM 1730 CA ARG B 32 5.918 2.117 10.689 1.00 0.61 C ATOM 1731 C ARG B 32 5.269 1.039 11.425 1.00 0.61 C ATOM 1732 O ARG B 32 4.960 -0.020 10.839 1.00 0.60 O ATOM 1733 CB ARG B 32 7.362 2.266 11.175 1.00 0.66 C ATOM 1734 CG ARG B 32 8.097 3.337 10.367 1.00 0.89 C ATOM 1735 CD ARG B 32 9.428 3.639 11.058 1.00 0.80 C ATOM 1736 NE ARG B 32 10.008 4.807 10.519 1.00 0.83 N ATOM 1737 CZ ARG B 32 11.177 5.250 11.000 1.00 0.85 C ATOM 1738 NH1 ARG B 32 11.804 4.574 11.972 1.00 0.82 N ATOM 1739 NH2 ARG B 32 11.717 6.375 10.512 1.00 0.97 N ATOM 0 H ARG B 32 5.558 3.846 11.751 1.00 0.68 H new ATOM 0 HA ARG B 32 5.948 1.932 9.615 1.00 0.61 H new ATOM 0 HB2 ARG B 32 7.370 2.532 12.232 1.00 0.66 H new ATOM 0 HB3 ARG B 32 7.882 1.313 11.082 1.00 0.66 H new ATOM 0 HG2 ARG B 32 8.269 2.991 9.348 1.00 0.89 H new ATOM 0 HG3 ARG B 32 7.492 4.241 10.298 1.00 0.89 H new ATOM 0 HD2 ARG B 32 9.269 3.765 12.129 1.00 0.80 H new ATOM 0 HD3 ARG B 32 10.109 2.797 10.934 1.00 0.80 H new ATOM 0 HE ARG B 32 9.539 5.312 9.767 1.00 0.83 H new ATOM 0 HH11 ARG B 32 11.391 3.720 12.347 1.00 0.82 H new ATOM 0 HH12 ARG B 32 12.694 4.913 12.337 1.00 0.82 H new ATOM 0 HH21 ARG B 32 11.238 6.893 9.775 1.00 0.97 H new ATOM 0 HH22 ARG B 32 12.607 6.714 10.877 1.00 0.97 H new ATOM 1753 N ARG B 33 4.970 1.245 12.717 1.00 0.66 N ATOM 1754 CA ARG B 33 4.279 0.294 13.500 1.00 0.69 C ATOM 1755 C ARG B 33 2.970 0.016 12.913 1.00 0.71 C ATOM 1756 O ARG B 33 2.546 -1.158 12.852 1.00 0.73 O ATOM 1757 CB ARG B 33 4.080 0.895 14.891 1.00 0.79 C ATOM 1758 CG ARG B 33 3.339 -0.099 15.787 1.00 1.15 C ATOM 1759 CD ARG B 33 3.199 0.498 17.188 1.00 1.14 C ATOM 1760 NE ARG B 33 2.481 -0.392 18.012 1.00 1.66 N ATOM 1761 CZ ARG B 33 2.220 -0.063 19.285 1.00 2.23 C ATOM 1762 NH1 ARG B 33 2.643 1.110 19.774 1.00 2.27 N ATOM 1763 NH2 ARG B 33 1.535 -0.907 20.068 1.00 3.10 N ATOM 0 H ARG B 33 5.218 2.096 13.222 1.00 0.66 H new ATOM 0 HA ARG B 33 4.848 -0.635 13.549 1.00 0.69 H new ATOM 0 HB2 ARG B 33 5.046 1.144 15.331 1.00 0.79 H new ATOM 0 HB3 ARG B 33 3.514 1.824 14.818 1.00 0.79 H new ATOM 0 HG2 ARG B 33 2.355 -0.319 15.372 1.00 1.15 H new ATOM 0 HG3 ARG B 33 3.883 -1.042 15.833 1.00 1.15 H new ATOM 0 HD2 ARG B 33 4.184 0.688 17.613 1.00 1.14 H new ATOM 0 HD3 ARG B 33 2.684 1.457 17.136 1.00 1.14 H new ATOM 0 HE ARG B 33 2.160 -1.286 17.640 1.00 1.66 H new ATOM 0 HH11 ARG B 33 3.164 1.753 19.178 1.00 2.27 H new ATOM 0 HH12 ARG B 33 2.444 1.360 20.743 1.00 2.27 H new ATOM 0 HH21 ARG B 33 1.212 -1.800 19.696 1.00 3.10 H new ATOM 0 HH22 ARG B 33 1.336 -0.657 21.037 1.00 3.10 H new ATOM 1777 N TYR B 34 2.249 1.044 12.439 1.00 0.73 N ATOM 1778 CA TYR B 34 0.988 0.880 11.823 1.00 0.76 C ATOM 1779 C TYR B 34 1.035 -0.123 10.763 1.00 0.64 C ATOM 1780 O TYR B 34 0.119 -0.969 10.673 1.00 0.67 O ATOM 1781 CB TYR B 34 0.630 2.223 11.190 1.00 0.83 C ATOM 1782 CG TYR B 34 -0.574 2.127 10.371 1.00 0.86 C ATOM 1783 CD1 TYR B 34 -1.825 1.959 10.953 1.00 1.37 C ATOM 1784 CD2 TYR B 34 -0.459 2.249 8.991 1.00 1.23 C ATOM 1785 CE1 TYR B 34 -2.962 1.921 10.152 1.00 1.64 C ATOM 1786 CE2 TYR B 34 -1.592 2.207 8.190 1.00 1.18 C ATOM 1787 CZ TYR B 34 -2.844 2.049 8.772 1.00 1.18 C ATOM 1788 OH TYR B 34 -3.942 2.025 7.990 1.00 1.42 O ATOM 0 H TYR B 34 2.559 2.015 12.489 1.00 0.73 H new ATOM 0 HA TYR B 34 0.260 0.555 12.566 1.00 0.76 H new ATOM 0 HB2 TYR B 34 0.480 2.966 11.973 1.00 0.83 H new ATOM 0 HB3 TYR B 34 1.461 2.570 10.576 1.00 0.83 H new ATOM 0 HD1 TYR B 34 -1.914 1.858 12.025 1.00 1.37 H new ATOM 0 HD2 TYR B 34 0.514 2.377 8.541 1.00 1.23 H new ATOM 0 HE1 TYR B 34 -3.936 1.792 10.601 1.00 1.64 H new ATOM 0 HE2 TYR B 34 -1.501 2.297 7.118 1.00 1.18 H new ATOM 0 HH TYR B 34 -3.753 1.513 7.176 1.00 1.42 H new ATOM 1798 N LEU B 35 2.039 -0.118 9.875 1.00 0.55 N ATOM 1799 CA LEU B 35 2.076 -1.077 8.844 1.00 0.49 C ATOM 1800 C LEU B 35 2.518 -2.367 9.361 1.00 0.45 C ATOM 1801 O LEU B 35 1.837 -3.392 9.143 1.00 0.46 O ATOM 1802 CB LEU B 35 3.084 -0.624 7.786 1.00 0.57 C ATOM 1803 CG LEU B 35 2.587 0.657 7.117 1.00 0.66 C ATOM 1804 CD1 LEU B 35 3.646 1.161 6.134 1.00 1.03 C ATOM 1805 CD2 LEU B 35 1.283 0.364 6.375 1.00 1.32 C ATOM 0 H LEU B 35 2.813 0.546 9.877 1.00 0.55 H new ATOM 0 HA LEU B 35 1.076 -1.176 8.422 1.00 0.49 H new ATOM 0 HB2 LEU B 35 4.057 -0.451 8.247 1.00 0.57 H new ATOM 0 HB3 LEU B 35 3.219 -1.407 7.040 1.00 0.57 H new ATOM 0 HG LEU B 35 2.407 1.423 7.871 1.00 0.66 H new ATOM 0 HD11 LEU B 35 3.293 2.075 5.656 1.00 1.03 H new ATOM 0 HD12 LEU B 35 4.572 1.367 6.671 1.00 1.03 H new ATOM 0 HD13 LEU B 35 3.828 0.401 5.374 1.00 1.03 H new ATOM 0 HD21 LEU B 35 0.924 1.275 5.896 1.00 1.32 H new ATOM 0 HD22 LEU B 35 1.459 -0.399 5.617 1.00 1.32 H new ATOM 0 HD23 LEU B 35 0.534 0.007 7.082 1.00 1.32 H new ATOM 1817 N SER B 36 3.631 -2.443 10.102 1.00 0.46 N ATOM 1818 CA SER B 36 4.150 -3.686 10.526 1.00 0.48 C ATOM 1819 C SER B 36 3.251 -4.433 11.403 1.00 0.59 C ATOM 1820 O SER B 36 3.523 -5.627 11.651 1.00 0.66 O ATOM 1821 CB SER B 36 5.446 -3.439 11.297 1.00 0.52 C ATOM 1822 OG SER B 36 5.144 -2.742 12.495 1.00 1.35 O ATOM 0 H SER B 36 4.171 -1.633 10.406 1.00 0.46 H new ATOM 0 HA SER B 36 4.301 -4.280 9.625 1.00 0.48 H new ATOM 0 HB2 SER B 36 5.935 -4.386 11.525 1.00 0.52 H new ATOM 0 HB3 SER B 36 6.141 -2.860 10.689 1.00 0.52 H new ATOM 0 HG SER B 36 5.905 -2.803 13.110 1.00 1.35 H new ATOM 1828 N GLN B 37 2.176 -3.860 11.964 1.00 0.67 N ATOM 1829 CA GLN B 37 1.309 -4.606 12.789 1.00 0.80 C ATOM 1830 C GLN B 37 0.717 -5.713 12.040 1.00 0.75 C ATOM 1831 O GLN B 37 0.674 -6.856 12.547 1.00 0.86 O ATOM 1832 CB GLN B 37 0.187 -3.691 13.282 1.00 0.91 C ATOM 1833 CG GLN B 37 -0.725 -4.478 14.225 1.00 1.09 C ATOM 1834 CD GLN B 37 -1.804 -3.615 14.697 1.00 1.99 C ATOM 1835 OE1 GLN B 37 -1.868 -2.427 14.315 1.00 2.71 O ATOM 1836 NE2 GLN B 37 -2.728 -4.101 15.538 1.00 2.65 N ATOM 0 H GLN B 37 1.915 -2.882 11.842 1.00 0.67 H new ATOM 0 HA GLN B 37 1.877 -5.007 13.629 1.00 0.80 H new ATOM 0 HB2 GLN B 37 0.606 -2.827 13.798 1.00 0.91 H new ATOM 0 HB3 GLN B 37 -0.386 -3.310 12.437 1.00 0.91 H new ATOM 0 HG2 GLN B 37 -1.138 -5.344 13.708 1.00 1.09 H new ATOM 0 HG3 GLN B 37 -0.151 -4.855 15.071 1.00 1.09 H new ATOM 0 HE21 GLN B 37 -2.675 -5.071 15.849 1.00 2.65 H new ATOM 0 HE22 GLN B 37 -3.484 -3.501 15.867 1.00 2.65 H new ATOM 1845 N ARG B 38 0.200 -5.504 10.820 1.00 0.65 N ATOM 1846 CA ARG B 38 -0.397 -6.574 10.120 1.00 0.68 C ATOM 1847 C ARG B 38 0.240 -6.779 8.819 1.00 0.59 C ATOM 1848 O ARG B 38 -0.174 -7.701 8.084 1.00 0.65 O ATOM 1849 CB ARG B 38 -1.877 -6.255 9.903 1.00 0.74 C ATOM 1850 CG ARG B 38 -2.574 -6.128 11.258 1.00 1.20 C ATOM 1851 CD ARG B 38 -4.068 -5.879 11.048 1.00 1.55 C ATOM 1852 NE ARG B 38 -4.669 -7.033 10.505 1.00 1.77 N ATOM 1853 CZ ARG B 38 -5.961 -7.007 10.151 1.00 2.42 C ATOM 1854 NH1 ARG B 38 -6.674 -5.883 10.306 1.00 2.88 N ATOM 1855 NH2 ARG B 38 -6.540 -8.104 9.643 1.00 3.07 N ATOM 0 H ARG B 38 0.198 -4.608 10.332 1.00 0.65 H new ATOM 0 HA ARG B 38 -0.277 -7.483 10.709 1.00 0.68 H new ATOM 0 HB2 ARG B 38 -1.982 -5.328 9.340 1.00 0.74 H new ATOM 0 HB3 ARG B 38 -2.347 -7.041 9.312 1.00 0.74 H new ATOM 0 HG2 ARG B 38 -2.425 -7.037 11.841 1.00 1.20 H new ATOM 0 HG3 ARG B 38 -2.136 -5.309 11.828 1.00 1.20 H new ATOM 0 HD2 ARG B 38 -4.541 -5.623 11.996 1.00 1.55 H new ATOM 0 HD3 ARG B 38 -4.215 -5.031 10.379 1.00 1.55 H new ATOM 0 HE ARG B 38 -4.122 -7.885 10.382 1.00 1.77 H new ATOM 0 HH11 ARG B 38 -6.233 -5.049 10.693 1.00 2.88 H new ATOM 0 HH12 ARG B 38 -7.658 -5.862 10.037 1.00 2.88 H new ATOM 0 HH21 ARG B 38 -5.997 -8.959 9.526 1.00 3.07 H new ATOM 0 HH22 ARG B 38 -7.524 -8.083 9.374 1.00 3.07 H new ATOM 1869 N LEU B 39 1.235 -5.982 8.403 1.00 0.55 N ATOM 1870 CA LEU B 39 1.823 -6.148 7.127 1.00 0.47 C ATOM 1871 C LEU B 39 2.581 -7.399 7.073 1.00 0.51 C ATOM 1872 O LEU B 39 2.434 -8.167 6.098 1.00 0.53 O ATOM 1873 CB LEU B 39 2.726 -4.945 6.844 1.00 0.36 C ATOM 1874 CG LEU B 39 3.284 -5.011 5.424 1.00 0.30 C ATOM 1875 CD1 LEU B 39 2.128 -5.020 4.423 1.00 0.34 C ATOM 1876 CD2 LEU B 39 4.141 -3.770 5.170 1.00 0.24 C ATOM 0 H LEU B 39 1.629 -5.222 8.957 1.00 0.55 H new ATOM 0 HA LEU B 39 1.046 -6.203 6.364 1.00 0.47 H new ATOM 0 HB2 LEU B 39 2.162 -4.022 6.976 1.00 0.36 H new ATOM 0 HB3 LEU B 39 3.546 -4.923 7.562 1.00 0.36 H new ATOM 0 HG LEU B 39 3.882 -5.915 5.308 1.00 0.30 H new ATOM 0 HD11 LEU B 39 2.525 -5.067 3.409 1.00 0.34 H new ATOM 0 HD12 LEU B 39 1.495 -5.889 4.606 1.00 0.34 H new ATOM 0 HD13 LEU B 39 1.538 -4.111 4.540 1.00 0.34 H new ATOM 0 HD21 LEU B 39 4.545 -3.807 4.158 1.00 0.24 H new ATOM 0 HD22 LEU B 39 3.529 -2.875 5.284 1.00 0.24 H new ATOM 0 HD23 LEU B 39 4.962 -3.741 5.887 1.00 0.24 H new ATOM 1888 N GLY B 40 3.410 -7.740 8.071 1.00 0.56 N ATOM 1889 CA GLY B 40 4.076 -8.987 8.049 1.00 0.64 C ATOM 1890 C GLY B 40 5.514 -8.848 8.271 1.00 0.60 C ATOM 1891 O GLY B 40 6.201 -9.873 8.472 1.00 0.68 O ATOM 0 H GLY B 40 3.613 -7.155 8.882 1.00 0.56 H new ATOM 0 HA2 GLY B 40 3.653 -9.637 8.815 1.00 0.64 H new ATOM 0 HA3 GLY B 40 3.903 -9.472 7.088 1.00 0.64 H new ATOM 1895 N LEU B 41 6.107 -7.647 8.255 1.00 0.54 N ATOM 1896 CA LEU B 41 7.490 -7.535 8.523 1.00 0.54 C ATOM 1897 C LEU B 41 7.701 -6.532 9.566 1.00 0.50 C ATOM 1898 O LEU B 41 6.725 -5.876 9.987 1.00 0.59 O ATOM 1899 CB LEU B 41 8.294 -7.204 7.264 1.00 0.56 C ATOM 1900 CG LEU B 41 7.659 -6.065 6.465 1.00 0.59 C ATOM 1901 CD1 LEU B 41 6.520 -6.618 5.610 1.00 0.60 C ATOM 1902 CD2 LEU B 41 7.107 -5.001 7.413 1.00 1.25 C ATOM 0 H LEU B 41 5.631 -6.766 8.058 1.00 0.54 H new ATOM 0 HA LEU B 41 7.853 -8.501 8.874 1.00 0.54 H new ATOM 0 HB2 LEU B 41 9.310 -6.928 7.544 1.00 0.56 H new ATOM 0 HB3 LEU B 41 8.367 -8.092 6.636 1.00 0.56 H new ATOM 0 HG LEU B 41 8.418 -5.615 5.825 1.00 0.59 H new ATOM 0 HD11 LEU B 41 6.066 -5.807 5.040 1.00 0.60 H new ATOM 0 HD12 LEU B 41 6.912 -7.369 4.924 1.00 0.60 H new ATOM 0 HD13 LEU B 41 5.768 -7.073 6.255 1.00 0.60 H new ATOM 0 HD21 LEU B 41 6.657 -4.195 6.833 1.00 1.25 H new ATOM 0 HD22 LEU B 41 6.352 -5.447 8.061 1.00 1.25 H new ATOM 0 HD23 LEU B 41 7.917 -4.601 8.022 1.00 1.25 H new ATOM 1914 N ASN B 42 8.916 -6.358 10.109 1.00 0.51 N ATOM 1915 CA ASN B 42 9.123 -5.437 11.163 1.00 0.53 C ATOM 1916 C ASN B 42 9.313 -4.069 10.682 1.00 0.44 C ATOM 1917 O ASN B 42 9.467 -3.837 9.464 1.00 0.38 O ATOM 1918 CB ASN B 42 10.367 -5.849 11.951 1.00 0.66 C ATOM 1919 CG ASN B 42 10.106 -7.101 12.655 1.00 0.81 C ATOM 1920 OD1 ASN B 42 8.934 -7.519 12.778 1.00 1.11 O ATOM 1921 ND2 ASN B 42 11.122 -7.782 13.204 1.00 1.45 N ATOM 0 H ASN B 42 9.753 -6.860 9.813 1.00 0.51 H new ATOM 0 HA ASN B 42 8.230 -5.454 11.788 1.00 0.53 H new ATOM 0 HB2 ASN B 42 11.215 -5.969 11.276 1.00 0.66 H new ATOM 0 HB3 ASN B 42 10.634 -5.068 12.663 1.00 0.66 H new ATOM 0 HD21 ASN B 42 10.939 -8.641 13.722 1.00 1.45 H new ATOM 0 HD22 ASN B 42 12.078 -7.441 13.103 1.00 1.45 H new ATOM 1928 N GLU B 43 9.342 -3.058 11.568 1.00 0.47 N ATOM 1929 CA GLU B 43 9.507 -1.721 11.138 1.00 0.45 C ATOM 1930 C GLU B 43 10.793 -1.550 10.467 1.00 0.40 C ATOM 1931 O GLU B 43 10.936 -0.641 9.622 1.00 0.38 O ATOM 1932 CB GLU B 43 9.473 -0.761 12.331 1.00 0.56 C ATOM 1933 CG GLU B 43 8.231 -1.007 13.189 1.00 0.67 C ATOM 1934 CD GLU B 43 8.419 -2.229 13.966 1.00 0.87 C ATOM 1935 OE1 GLU B 43 9.390 -2.325 14.748 1.00 1.31 O ATOM 1936 OE2 GLU B 43 7.616 -3.178 13.849 1.00 1.77 O ATOM 0 H GLU B 43 9.251 -3.174 12.577 1.00 0.47 H new ATOM 0 HA GLU B 43 8.690 -1.499 10.451 1.00 0.45 H new ATOM 0 HB2 GLU B 43 10.370 -0.893 12.936 1.00 0.56 H new ATOM 0 HB3 GLU B 43 9.477 0.269 11.975 1.00 0.56 H new ATOM 0 HG2 GLU B 43 8.061 -0.161 13.855 1.00 0.67 H new ATOM 0 HG3 GLU B 43 7.349 -1.097 12.556 1.00 0.67 H new ATOM 1943 N GLU B 44 11.813 -2.373 10.750 1.00 0.46 N ATOM 1944 CA GLU B 44 13.050 -2.263 10.084 1.00 0.46 C ATOM 1945 C GLU B 44 12.864 -2.498 8.656 1.00 0.40 C ATOM 1946 O GLU B 44 13.511 -1.832 7.820 1.00 0.43 O ATOM 1947 CB GLU B 44 14.005 -3.319 10.643 1.00 0.60 C ATOM 1948 CG GLU B 44 15.359 -3.201 9.939 1.00 1.05 C ATOM 1949 CD GLU B 44 16.302 -4.147 10.529 1.00 1.49 C ATOM 1950 OE1 GLU B 44 16.046 -5.370 10.526 1.00 2.32 O ATOM 1951 OE2 GLU B 44 17.364 -3.732 11.042 1.00 1.77 O ATOM 0 H GLU B 44 11.771 -3.117 11.447 1.00 0.46 H new ATOM 0 HA GLU B 44 13.459 -1.264 10.235 1.00 0.46 H new ATOM 0 HB2 GLU B 44 14.128 -3.182 11.717 1.00 0.60 H new ATOM 0 HB3 GLU B 44 13.590 -4.316 10.494 1.00 0.60 H new ATOM 0 HG2 GLU B 44 15.245 -3.402 8.874 1.00 1.05 H new ATOM 0 HG3 GLU B 44 15.741 -2.185 10.032 1.00 1.05 H new ATOM 1958 N GLN B 45 11.992 -3.426 8.236 1.00 0.40 N ATOM 1959 CA GLN B 45 11.837 -3.681 6.859 1.00 0.41 C ATOM 1960 C GLN B 45 11.042 -2.632 6.222 1.00 0.35 C ATOM 1961 O GLN B 45 11.003 -2.564 4.974 1.00 0.41 O ATOM 1962 CB GLN B 45 11.137 -5.028 6.700 1.00 0.51 C ATOM 1963 CG GLN B 45 11.964 -6.108 7.400 1.00 0.60 C ATOM 1964 CD GLN B 45 13.291 -6.190 6.796 1.00 0.75 C ATOM 1965 OE1 GLN B 45 14.306 -5.955 7.486 1.00 0.90 O ATOM 1966 NE2 GLN B 45 13.422 -6.518 5.504 1.00 0.97 N ATOM 0 H GLN B 45 11.404 -3.990 8.849 1.00 0.40 H new ATOM 0 HA GLN B 45 12.816 -3.698 6.379 1.00 0.41 H new ATOM 0 HB2 GLN B 45 10.136 -4.984 7.129 1.00 0.51 H new ATOM 0 HB3 GLN B 45 11.021 -5.269 5.643 1.00 0.51 H new ATOM 0 HG2 GLN B 45 12.052 -5.879 8.462 1.00 0.60 H new ATOM 0 HG3 GLN B 45 11.460 -7.071 7.322 1.00 0.60 H new ATOM 0 HE21 GLN B 45 12.594 -6.710 4.940 1.00 0.97 H new ATOM 0 HE22 GLN B 45 14.350 -6.576 5.084 1.00 0.97 H new ATOM 1975 N ILE B 46 10.371 -1.741 6.968 1.00 0.29 N ATOM 1976 CA ILE B 46 9.676 -0.671 6.367 1.00 0.30 C ATOM 1977 C ILE B 46 10.684 0.306 5.978 1.00 0.39 C ATOM 1978 O ILE B 46 10.666 0.812 4.836 1.00 0.52 O ATOM 1979 CB ILE B 46 8.734 -0.015 7.383 1.00 0.35 C ATOM 1980 CG1 ILE B 46 7.676 -1.010 7.866 1.00 0.36 C ATOM 1981 CG2 ILE B 46 8.040 1.184 6.734 1.00 0.45 C ATOM 1982 CD1 ILE B 46 6.802 -1.444 6.689 1.00 0.38 C ATOM 0 H ILE B 46 10.315 -1.769 7.986 1.00 0.29 H new ATOM 0 HA ILE B 46 9.088 -1.022 5.519 1.00 0.30 H new ATOM 0 HB ILE B 46 9.323 0.312 8.240 1.00 0.35 H new ATOM 0 HG12 ILE B 46 8.158 -1.879 8.314 1.00 0.36 H new ATOM 0 HG13 ILE B 46 7.060 -0.553 8.640 1.00 0.36 H new ATOM 0 HG21 ILE B 46 7.370 1.651 7.456 1.00 0.45 H new ATOM 0 HG22 ILE B 46 8.789 1.908 6.413 1.00 0.45 H new ATOM 0 HG23 ILE B 46 7.466 0.848 5.870 1.00 0.45 H new ATOM 0 HD11 ILE B 46 6.050 -2.152 7.036 1.00 0.38 H new ATOM 0 HD12 ILE B 46 6.309 -0.571 6.261 1.00 0.38 H new ATOM 0 HD13 ILE B 46 7.424 -1.918 5.930 1.00 0.38 H new ATOM 1994 N GLU B 47 11.637 0.622 6.868 1.00 0.38 N ATOM 1995 CA GLU B 47 12.655 1.554 6.575 1.00 0.47 C ATOM 1996 C GLU B 47 13.483 1.090 5.464 1.00 0.51 C ATOM 1997 O GLU B 47 13.832 1.904 4.583 1.00 0.62 O ATOM 1998 CB GLU B 47 13.550 1.659 7.810 1.00 0.50 C ATOM 1999 CG GLU B 47 12.763 2.278 8.966 1.00 0.51 C ATOM 2000 CD GLU B 47 13.610 2.313 10.155 1.00 0.55 C ATOM 2001 OE1 GLU B 47 14.696 2.932 10.130 1.00 1.11 O ATOM 2002 OE2 GLU B 47 13.247 1.727 11.198 1.00 1.19 O ATOM 0 H GLU B 47 11.695 0.220 7.804 1.00 0.38 H new ATOM 0 HA GLU B 47 12.203 2.509 6.307 1.00 0.47 H new ATOM 0 HB2 GLU B 47 13.913 0.671 8.093 1.00 0.50 H new ATOM 0 HB3 GLU B 47 14.425 2.269 7.586 1.00 0.50 H new ATOM 0 HG2 GLU B 47 12.440 3.286 8.704 1.00 0.51 H new ATOM 0 HG3 GLU B 47 11.863 1.696 9.162 1.00 0.51 H new ATOM 2009 N ARG B 48 13.866 -0.195 5.408 1.00 0.48 N ATOM 2010 CA ARG B 48 14.681 -0.683 4.362 1.00 0.55 C ATOM 2011 C ARG B 48 14.041 -0.564 3.056 1.00 0.60 C ATOM 2012 O ARG B 48 14.628 0.077 2.159 1.00 0.68 O ATOM 2013 CB ARG B 48 15.028 -2.150 4.621 1.00 0.56 C ATOM 2014 CG ARG B 48 16.413 -2.236 5.268 1.00 0.62 C ATOM 2015 CD ARG B 48 16.435 -1.479 6.596 1.00 0.60 C ATOM 2016 NE ARG B 48 17.723 -1.569 7.161 1.00 0.71 N ATOM 2017 CZ ARG B 48 18.007 -0.910 8.293 1.00 0.80 C ATOM 2018 NH1 ARG B 48 17.074 -0.150 8.882 1.00 0.79 N ATOM 2019 NH2 ARG B 48 19.229 -1.009 8.835 1.00 0.94 N ATOM 0 H ARG B 48 13.604 -0.897 6.099 1.00 0.48 H new ATOM 0 HA ARG B 48 15.584 -0.073 4.345 1.00 0.55 H new ATOM 0 HB2 ARG B 48 14.281 -2.603 5.273 1.00 0.56 H new ATOM 0 HB3 ARG B 48 15.016 -2.709 3.685 1.00 0.56 H new ATOM 0 HG2 ARG B 48 16.678 -3.280 5.434 1.00 0.62 H new ATOM 0 HG3 ARG B 48 17.162 -1.820 4.594 1.00 0.62 H new ATOM 0 HD2 ARG B 48 16.167 -0.434 6.437 1.00 0.60 H new ATOM 0 HD3 ARG B 48 15.696 -1.897 7.279 1.00 0.60 H new ATOM 0 HE ARG B 48 18.440 -2.136 6.708 1.00 0.71 H new ATOM 0 HH11 ARG B 48 16.145 -0.072 8.469 1.00 0.79 H new ATOM 0 HH12 ARG B 48 17.293 0.350 9.743 1.00 0.79 H new ATOM 0 HH21 ARG B 48 19.941 -1.585 8.386 1.00 0.94 H new ATOM 0 HH22 ARG B 48 19.447 -0.508 9.696 1.00 0.94 H new ATOM 2033 N TRP B 49 12.869 -1.155 2.782 1.00 0.56 N ATOM 2034 CA TRP B 49 12.321 -1.036 1.485 1.00 0.64 C ATOM 2035 C TRP B 49 12.056 0.361 1.145 1.00 0.69 C ATOM 2036 O TRP B 49 12.248 0.756 -0.026 1.00 0.81 O ATOM 2037 CB TRP B 49 11.031 -1.847 1.365 1.00 0.75 C ATOM 2038 CG TRP B 49 10.525 -1.674 0.008 1.00 1.06 C ATOM 2039 CD1 TRP B 49 9.275 -1.196 -0.371 1.00 0.90 C ATOM 2040 CD2 TRP B 49 11.224 -1.898 -1.166 1.00 1.95 C ATOM 2041 NE1 TRP B 49 9.214 -1.151 -1.714 1.00 1.29 N ATOM 2042 CE2 TRP B 49 10.388 -1.567 -2.211 1.00 1.98 C ATOM 2043 CE3 TRP B 49 12.520 -2.343 -1.374 1.00 2.83 C ATOM 2044 CZ2 TRP B 49 10.810 -1.676 -3.526 1.00 2.80 C ATOM 2045 CZ3 TRP B 49 12.960 -2.442 -2.692 1.00 3.66 C ATOM 2046 CH2 TRP B 49 12.115 -2.110 -3.754 1.00 3.63 C ATOM 0 H TRP B 49 12.317 -1.701 3.444 1.00 0.56 H new ATOM 0 HA TRP B 49 13.057 -1.430 0.784 1.00 0.64 H new ATOM 0 HB2 TRP B 49 11.221 -2.900 1.571 1.00 0.75 H new ATOM 0 HB3 TRP B 49 10.296 -1.507 2.094 1.00 0.75 H new ATOM 0 HD1 TRP B 49 8.482 -0.908 0.303 1.00 0.90 H new ATOM 0 HE1 TRP B 49 8.409 -0.850 -2.263 1.00 1.29 H new ATOM 0 HE3 TRP B 49 13.164 -2.603 -0.547 1.00 2.83 H new ATOM 0 HZ2 TRP B 49 10.151 -1.433 -4.346 1.00 2.80 H new ATOM 0 HZ3 TRP B 49 13.966 -2.779 -2.895 1.00 3.66 H new ATOM 0 HH2 TRP B 49 12.479 -2.191 -4.768 1.00 3.63 H new ATOM 2057 N PHE B 50 11.603 1.198 2.089 1.00 0.65 N ATOM 2058 CA PHE B 50 11.330 2.557 1.820 1.00 0.72 C ATOM 2059 C PHE B 50 12.488 3.254 1.262 1.00 0.78 C ATOM 2060 O PHE B 50 12.335 3.994 0.266 1.00 0.89 O ATOM 2061 CB PHE B 50 10.972 3.248 3.137 1.00 0.72 C ATOM 2062 CG PHE B 50 10.755 4.672 2.903 1.00 0.86 C ATOM 2063 CD1 PHE B 50 9.582 5.109 2.301 1.00 1.33 C ATOM 2064 CD2 PHE B 50 11.721 5.593 3.295 1.00 1.66 C ATOM 2065 CE1 PHE B 50 9.376 6.467 2.087 1.00 1.54 C ATOM 2066 CE2 PHE B 50 11.519 6.949 3.071 1.00 2.06 C ATOM 2067 CZ PHE B 50 10.346 7.387 2.467 1.00 1.68 C ATOM 0 H PHE B 50 11.425 0.919 3.054 1.00 0.65 H new ATOM 0 HA PHE B 50 10.517 2.594 1.095 1.00 0.72 H new ATOM 0 HB2 PHE B 50 10.075 2.799 3.562 1.00 0.72 H new ATOM 0 HB3 PHE B 50 11.773 3.107 3.862 1.00 0.72 H new ATOM 0 HD1 PHE B 50 8.831 4.394 1.999 1.00 1.33 H new ATOM 0 HD2 PHE B 50 12.628 5.254 3.773 1.00 1.66 H new ATOM 0 HE1 PHE B 50 8.461 6.808 1.625 1.00 1.54 H new ATOM 0 HE2 PHE B 50 12.273 7.663 3.366 1.00 2.06 H new ATOM 0 HZ PHE B 50 10.189 8.441 2.293 1.00 1.68 H new ATOM 2077 N ARG B 51 13.702 3.144 1.821 1.00 0.75 N ATOM 2078 CA ARG B 51 14.764 3.912 1.299 1.00 0.82 C ATOM 2079 C ARG B 51 15.517 3.189 0.276 1.00 0.87 C ATOM 2080 O ARG B 51 16.287 3.836 -0.464 1.00 0.99 O ATOM 2081 CB ARG B 51 15.673 4.359 2.447 1.00 0.80 C ATOM 2082 CG ARG B 51 16.314 3.144 3.123 1.00 0.78 C ATOM 2083 CD ARG B 51 17.620 2.777 2.416 1.00 1.15 C ATOM 2084 NE ARG B 51 18.542 3.830 2.581 1.00 1.48 N ATOM 2085 CZ ARG B 51 19.317 3.876 3.674 1.00 1.92 C ATOM 2086 NH1 ARG B 51 19.227 2.913 4.601 1.00 2.22 N ATOM 2087 NH2 ARG B 51 20.183 4.885 3.840 1.00 2.46 N ATOM 0 H ARG B 51 13.937 2.541 2.610 1.00 0.75 H new ATOM 0 HA ARG B 51 14.346 4.789 0.806 1.00 0.82 H new ATOM 0 HB2 ARG B 51 16.449 5.024 2.067 1.00 0.80 H new ATOM 0 HB3 ARG B 51 15.096 4.927 3.177 1.00 0.80 H new ATOM 0 HG2 ARG B 51 16.509 3.363 4.173 1.00 0.78 H new ATOM 0 HG3 ARG B 51 15.627 2.298 3.096 1.00 0.78 H new ATOM 0 HD2 ARG B 51 18.025 1.853 2.829 1.00 1.15 H new ATOM 0 HD3 ARG B 51 17.437 2.599 1.356 1.00 1.15 H new ATOM 0 HE ARG B 51 18.620 4.557 1.869 1.00 1.48 H new ATOM 0 HH11 ARG B 51 18.569 2.144 4.475 1.00 2.22 H new ATOM 0 HH12 ARG B 51 19.817 2.949 5.432 1.00 2.22 H new ATOM 0 HH21 ARG B 51 20.253 5.618 3.135 1.00 2.46 H new ATOM 0 HH22 ARG B 51 20.772 4.920 4.672 1.00 2.46 H new ATOM 2101 N ARG B 52 15.391 1.863 0.115 1.00 0.84 N ATOM 2102 CA ARG B 52 16.078 1.197 -0.926 1.00 0.98 C ATOM 2103 C ARG B 52 15.506 1.597 -2.205 1.00 1.11 C ATOM 2104 O ARG B 52 16.242 1.905 -3.169 1.00 1.27 O ATOM 2105 CB ARG B 52 15.916 -0.316 -0.770 1.00 1.02 C ATOM 2106 CG ARG B 52 16.865 -0.829 0.316 1.00 1.23 C ATOM 2107 CD ARG B 52 18.307 -0.648 -0.160 1.00 1.31 C ATOM 2108 NE ARG B 52 18.512 -1.404 -1.333 1.00 1.79 N ATOM 2109 CZ ARG B 52 19.622 -2.141 -1.477 1.00 2.25 C ATOM 2110 NH1 ARG B 52 20.540 -2.172 -0.501 1.00 2.15 N ATOM 2111 NH2 ARG B 52 19.815 -2.849 -2.599 1.00 3.07 N ATOM 0 H ARG B 52 14.816 1.261 0.705 1.00 0.84 H new ATOM 0 HA ARG B 52 17.135 1.459 -0.884 1.00 0.98 H new ATOM 0 HB2 ARG B 52 14.885 -0.556 -0.508 1.00 1.02 H new ATOM 0 HB3 ARG B 52 16.128 -0.813 -1.716 1.00 1.02 H new ATOM 0 HG2 ARG B 52 16.704 -0.284 1.246 1.00 1.23 H new ATOM 0 HG3 ARG B 52 16.666 -1.880 0.525 1.00 1.23 H new ATOM 0 HD2 ARG B 52 18.508 0.406 -0.354 1.00 1.31 H new ATOM 0 HD3 ARG B 52 19.001 -0.967 0.618 1.00 1.31 H new ATOM 0 HE ARG B 52 17.812 -1.390 -2.075 1.00 1.79 H new ATOM 0 HH11 ARG B 52 20.394 -1.634 0.353 1.00 2.15 H new ATOM 0 HH12 ARG B 52 21.384 -2.734 -0.613 1.00 2.15 H new ATOM 0 HH21 ARG B 52 19.117 -2.827 -3.343 1.00 3.07 H new ATOM 0 HH22 ARG B 52 20.660 -3.410 -2.709 1.00 3.07 H new ATOM 2125 N LYS B 53 14.171 1.631 -2.321 1.00 1.08 N ATOM 2126 CA LYS B 53 13.535 2.011 -3.521 1.00 1.25 C ATOM 2127 C LYS B 53 13.981 3.324 -3.997 1.00 1.35 C ATOM 2128 O LYS B 53 13.775 3.634 -5.190 1.00 1.57 O ATOM 2129 CB LYS B 53 12.021 2.000 -3.287 1.00 1.20 C ATOM 2130 CG LYS B 53 11.288 1.517 -4.542 1.00 1.31 C ATOM 2131 CD LYS B 53 10.659 2.663 -5.335 1.00 1.89 C ATOM 2132 CE LYS B 53 9.574 3.310 -4.473 1.00 2.23 C ATOM 2133 NZ LYS B 53 8.757 4.218 -5.274 1.00 2.62 N ATOM 0 H LYS B 53 13.530 1.389 -1.565 1.00 1.08 H new ATOM 0 HA LYS B 53 13.803 1.299 -4.302 1.00 1.25 H new ATOM 0 HB2 LYS B 53 11.782 1.349 -2.446 1.00 1.20 H new ATOM 0 HB3 LYS B 53 11.681 3.001 -3.022 1.00 1.20 H new ATOM 0 HG2 LYS B 53 11.987 0.979 -5.182 1.00 1.31 H new ATOM 0 HG3 LYS B 53 10.510 0.810 -4.254 1.00 1.31 H new ATOM 0 HD2 LYS B 53 11.417 3.398 -5.605 1.00 1.89 H new ATOM 0 HD3 LYS B 53 10.231 2.290 -6.266 1.00 1.89 H new ATOM 0 HE2 LYS B 53 8.944 2.538 -4.032 1.00 2.23 H new ATOM 0 HE3 LYS B 53 10.033 3.856 -3.649 1.00 2.23 H new ATOM 0 HZ1 LYS B 53 8.472 5.033 -4.693 1.00 2.62 H new ATOM 0 HZ2 LYS B 53 9.307 4.551 -6.091 1.00 2.62 H new ATOM 0 HZ3 LYS B 53 7.909 3.718 -5.608 1.00 2.62 H new ATOM 2147 N GLU B 54 14.559 4.221 -3.180 1.00 1.24 N ATOM 2148 CA GLU B 54 14.916 5.487 -3.685 1.00 1.34 C ATOM 2149 C GLU B 54 16.358 5.608 -3.895 1.00 1.32 C ATOM 2150 O GLU B 54 16.783 6.141 -4.943 1.00 1.39 O ATOM 2151 CB GLU B 54 14.512 6.557 -2.668 1.00 1.34 C ATOM 2152 CG GLU B 54 13.107 6.283 -2.131 1.00 1.18 C ATOM 2153 CD GLU B 54 12.593 7.488 -1.488 1.00 1.29 C ATOM 2154 OE1 GLU B 54 12.463 8.537 -2.157 1.00 1.87 O ATOM 2155 OE2 GLU B 54 12.284 7.470 -0.277 1.00 1.61 O ATOM 0 H GLU B 54 14.771 4.066 -2.194 1.00 1.24 H new ATOM 0 HA GLU B 54 14.407 5.614 -4.640 1.00 1.34 H new ATOM 0 HB2 GLU B 54 15.226 6.572 -1.844 1.00 1.34 H new ATOM 0 HB3 GLU B 54 14.543 7.541 -3.135 1.00 1.34 H new ATOM 0 HG2 GLU B 54 12.447 5.981 -2.944 1.00 1.18 H new ATOM 0 HG3 GLU B 54 13.132 5.459 -1.418 1.00 1.18 H new ATOM 2162 N GLN B 55 17.225 5.165 -2.970 1.00 1.24 N ATOM 2163 CA GLN B 55 18.612 5.382 -3.141 1.00 1.27 C ATOM 2164 C GLN B 55 19.185 4.602 -4.234 1.00 1.34 C ATOM 2165 O GLN B 55 20.320 4.904 -4.663 1.00 1.42 O ATOM 2166 CB GLN B 55 19.384 5.048 -1.862 1.00 1.22 C ATOM 2167 CG GLN B 55 19.376 3.538 -1.617 1.00 1.35 C ATOM 2168 CD GLN B 55 20.210 3.240 -0.457 1.00 2.14 C ATOM 2169 OE1 GLN B 55 20.356 2.059 -0.075 1.00 2.60 O ATOM 2170 NE2 GLN B 55 20.833 4.233 0.193 1.00 2.89 N ATOM 0 H GLN B 55 16.965 4.665 -2.120 1.00 1.24 H new ATOM 0 HA GLN B 55 18.710 6.440 -3.384 1.00 1.27 H new ATOM 0 HB2 GLN B 55 20.411 5.405 -1.945 1.00 1.22 H new ATOM 0 HB3 GLN B 55 18.935 5.564 -1.013 1.00 1.22 H new ATOM 0 HG2 GLN B 55 18.357 3.190 -1.448 1.00 1.35 H new ATOM 0 HG3 GLN B 55 19.751 3.012 -2.495 1.00 1.35 H new ATOM 0 HE21 GLN B 55 20.716 5.198 -0.117 1.00 2.89 H new ATOM 0 HE22 GLN B 55 21.424 4.024 0.997 1.00 2.89 H new ATOM 2179 N GLN B 56 18.544 3.554 -4.770 1.00 1.34 N ATOM 2180 CA GLN B 56 19.150 2.840 -5.825 1.00 1.42 C ATOM 2181 C GLN B 56 19.040 3.581 -7.080 1.00 1.55 C ATOM 2182 O GLN B 56 19.688 3.203 -8.080 1.00 1.60 O ATOM 2183 CB GLN B 56 18.485 1.472 -5.978 1.00 1.47 C ATOM 2184 CG GLN B 56 19.217 0.668 -7.055 1.00 1.65 C ATOM 2185 CD GLN B 56 20.613 0.490 -6.666 1.00 1.83 C ATOM 2186 OE1 GLN B 56 21.527 0.911 -7.407 1.00 2.40 O ATOM 2187 NE2 GLN B 56 20.916 -0.130 -5.517 1.00 2.08 N ATOM 0 H GLN B 56 17.629 3.213 -4.477 1.00 1.34 H new ATOM 0 HA GLN B 56 20.206 2.707 -5.588 1.00 1.42 H new ATOM 0 HB2 GLN B 56 18.509 0.936 -5.029 1.00 1.47 H new ATOM 0 HB3 GLN B 56 17.436 1.594 -6.249 1.00 1.47 H new ATOM 0 HG2 GLN B 56 18.739 -0.303 -7.187 1.00 1.65 H new ATOM 0 HG3 GLN B 56 19.158 1.185 -8.013 1.00 1.65 H new ATOM 0 HE21 GLN B 56 20.171 -0.474 -4.911 1.00 2.08 H new ATOM 0 HE22 GLN B 56 21.892 -0.258 -5.248 1.00 2.08 H new ATOM 2196 N ILE B 57 18.218 4.636 -7.171 1.00 1.64 N ATOM 2197 CA ILE B 57 18.059 5.330 -8.386 1.00 1.81 C ATOM 2198 C ILE B 57 18.595 6.684 -8.286 1.00 1.89 C ATOM 2199 O ILE B 57 19.069 7.234 -9.304 1.00 2.07 O ATOM 2200 CB ILE B 57 16.578 5.377 -8.758 1.00 1.88 C ATOM 2201 CG1 ILE B 57 16.044 3.947 -8.870 1.00 2.08 C ATOM 2202 CG2 ILE B 57 16.427 6.095 -10.101 1.00 1.87 C ATOM 2203 CD1 ILE B 57 16.787 3.204 -9.982 1.00 2.66 C ATOM 0 H ILE B 57 17.666 5.002 -6.396 1.00 1.64 H new ATOM 0 HA ILE B 57 18.612 4.804 -9.164 1.00 1.81 H new ATOM 0 HB ILE B 57 16.014 5.913 -7.994 1.00 1.88 H new ATOM 0 HG12 ILE B 57 16.173 3.425 -7.922 1.00 2.08 H new ATOM 0 HG13 ILE B 57 14.975 3.963 -9.082 1.00 2.08 H new ATOM 0 HG21 ILE B 57 15.373 6.134 -10.376 1.00 1.87 H new ATOM 0 HG22 ILE B 57 16.818 7.109 -10.017 1.00 1.87 H new ATOM 0 HG23 ILE B 57 16.982 5.554 -10.867 1.00 1.87 H new ATOM 0 HD11 ILE B 57 16.404 2.186 -10.059 1.00 2.66 H new ATOM 0 HD12 ILE B 57 16.635 3.721 -10.929 1.00 2.66 H new ATOM 0 HD13 ILE B 57 17.852 3.174 -9.751 1.00 2.66 H new ATOM 2215 N GLY B 58 18.544 7.357 -7.128 1.00 1.79 N ATOM 2216 CA GLY B 58 18.967 8.704 -7.083 1.00 1.90 C ATOM 2217 C GLY B 58 17.928 9.502 -6.437 1.00 1.88 C ATOM 2218 O GLY B 58 17.870 10.736 -6.627 1.00 1.99 O ATOM 0 H GLY B 58 18.216 6.972 -6.242 1.00 1.79 H new ATOM 0 HA2 GLY B 58 19.904 8.787 -6.532 1.00 1.90 H new ATOM 0 HA3 GLY B 58 19.156 9.074 -8.091 1.00 1.90 H new ATOM 2222 N TRP B 59 17.057 8.873 -5.635 1.00 1.76 N ATOM 2223 CA TRP B 59 16.011 9.520 -4.942 1.00 1.74 C ATOM 2224 C TRP B 59 14.992 10.025 -5.857 1.00 1.83 C ATOM 2225 O TRP B 59 14.475 11.149 -5.675 1.00 1.90 O ATOM 2226 CB TRP B 59 16.543 10.645 -4.049 1.00 1.80 C ATOM 2227 CG TRP B 59 15.436 11.225 -3.296 1.00 2.05 C ATOM 2228 CD1 TRP B 59 14.790 10.664 -2.199 1.00 2.09 C ATOM 2229 CD2 TRP B 59 14.847 12.463 -3.497 1.00 2.50 C ATOM 2230 NE1 TRP B 59 13.843 11.517 -1.767 1.00 2.57 N ATOM 2231 CE2 TRP B 59 13.866 12.612 -2.540 1.00 2.86 C ATOM 2232 CE3 TRP B 59 15.108 13.447 -4.439 1.00 2.73 C ATOM 2233 CZ2 TRP B 59 13.090 13.760 -2.479 1.00 3.48 C ATOM 2234 CZ3 TRP B 59 14.335 14.605 -4.386 1.00 3.32 C ATOM 2235 CH2 TRP B 59 13.339 14.759 -3.418 1.00 3.70 C ATOM 0 H TRP B 59 17.090 7.867 -5.467 1.00 1.76 H new ATOM 0 HA TRP B 59 15.543 8.773 -4.300 1.00 1.74 H new ATOM 0 HB2 TRP B 59 17.299 10.257 -3.366 1.00 1.80 H new ATOM 0 HB3 TRP B 59 17.025 11.410 -4.657 1.00 1.80 H new ATOM 0 HD1 TRP B 59 15.012 9.701 -1.765 1.00 2.09 H new ATOM 0 HE1 TRP B 59 13.212 11.357 -0.982 1.00 2.57 H new ATOM 0 HE3 TRP B 59 15.880 13.321 -5.184 1.00 2.73 H new ATOM 0 HZ2 TRP B 59 12.320 13.876 -1.730 1.00 3.48 H new ATOM 0 HZ3 TRP B 59 14.508 15.394 -5.103 1.00 3.32 H new ATOM 0 HH2 TRP B 59 12.753 15.666 -3.397 1.00 3.70 H new ATOM 2246 N SER B 60 14.594 9.249 -6.874 1.00 1.88 N ATOM 2247 CA SER B 60 13.502 9.618 -7.687 1.00 1.98 C ATOM 2248 C SER B 60 12.555 8.503 -7.654 1.00 1.92 C ATOM 2249 O SER B 60 11.419 8.626 -8.160 1.00 1.97 O ATOM 2250 CB SER B 60 13.966 9.907 -9.117 1.00 2.09 C ATOM 2251 OG SER B 60 14.563 8.748 -9.675 1.00 2.16 O ATOM 0 H SER B 60 15.035 8.365 -7.128 1.00 1.88 H new ATOM 0 HA SER B 60 13.032 10.531 -7.321 1.00 1.98 H new ATOM 0 HB2 SER B 60 13.119 10.220 -9.727 1.00 2.09 H new ATOM 0 HB3 SER B 60 14.680 10.730 -9.117 1.00 2.09 H new ATOM 0 HG SER B 60 14.856 8.939 -10.590 1.00 2.16 H new ATOM 2257 N HIS B 61 12.961 7.358 -7.075 1.00 1.87 N ATOM 2258 CA HIS B 61 12.170 6.202 -6.864 1.00 1.91 C ATOM 2259 C HIS B 61 11.167 5.841 -7.873 1.00 1.97 C ATOM 2260 O HIS B 61 9.986 5.667 -7.501 1.00 2.60 O ATOM 2261 CB HIS B 61 11.540 6.301 -5.473 1.00 2.75 C ATOM 2262 CG HIS B 61 10.651 7.451 -5.333 1.00 3.15 C ATOM 2263 ND1 HIS B 61 10.880 8.530 -4.572 1.00 4.13 N ATOM 2264 CD2 HIS B 61 9.435 7.648 -5.972 1.00 3.11 C ATOM 2265 CE1 HIS B 61 9.851 9.377 -4.722 1.00 4.69 C ATOM 2266 NE2 HIS B 61 8.967 8.840 -5.577 1.00 4.06 N ATOM 0 H HIS B 61 13.915 7.241 -6.732 1.00 1.87 H new ATOM 0 HA HIS B 61 12.871 5.373 -6.959 1.00 1.91 H new ATOM 0 HB2 HIS B 61 10.981 5.388 -5.267 1.00 2.75 H new ATOM 0 HB3 HIS B 61 12.330 6.366 -4.725 1.00 2.75 H new ATOM 0 HD1 HIS B 61 11.697 8.681 -3.980 1.00 4.13 H new ATOM 0 HD2 HIS B 61 8.955 6.967 -6.660 1.00 3.11 H new ATOM 0 HE1 HIS B 61 9.750 10.335 -4.234 1.00 4.69 H new ATOM 2275 N PRO B 62 11.462 5.679 -9.174 1.00 1.93 N ATOM 2276 CA PRO B 62 10.499 5.266 -10.122 1.00 2.45 C ATOM 2277 C PRO B 62 10.569 3.851 -10.353 1.00 2.06 C ATOM 2278 O PRO B 62 10.149 3.412 -11.411 1.00 2.31 O ATOM 2279 CB PRO B 62 11.017 5.934 -11.392 1.00 3.15 C ATOM 2280 CG PRO B 62 12.527 5.773 -11.235 1.00 2.98 C ATOM 2281 CD PRO B 62 12.758 5.913 -9.727 1.00 2.10 C ATOM 0 HA PRO B 62 9.482 5.509 -9.815 1.00 2.45 H new ATOM 0 HB2 PRO B 62 10.645 5.445 -12.292 1.00 3.15 H new ATOM 0 HB3 PRO B 62 10.721 6.981 -11.453 1.00 3.15 H new ATOM 0 HG2 PRO B 62 12.866 4.804 -11.603 1.00 2.98 H new ATOM 0 HG3 PRO B 62 13.070 6.534 -11.795 1.00 2.98 H new ATOM 0 HD2 PRO B 62 13.488 5.190 -9.363 1.00 2.10 H new ATOM 0 HD3 PRO B 62 13.134 6.903 -9.468 1.00 2.10 H new ATOM 2289 N GLN B 63 11.099 3.028 -9.479 1.00 1.69 N ATOM 2290 CA GLN B 63 11.321 1.667 -9.806 1.00 1.51 C ATOM 2291 C GLN B 63 10.137 0.867 -10.128 1.00 1.56 C ATOM 2292 O GLN B 63 10.323 -0.326 -10.456 1.00 1.92 O ATOM 2293 CB GLN B 63 12.010 0.967 -8.634 1.00 1.70 C ATOM 2294 CG GLN B 63 13.411 1.544 -8.426 1.00 2.04 C ATOM 2295 CD GLN B 63 14.074 0.801 -7.358 1.00 2.56 C ATOM 2296 OE1 GLN B 63 15.202 1.156 -6.955 1.00 3.20 O ATOM 2297 NE2 GLN B 63 13.478 -0.269 -6.814 1.00 2.72 N ATOM 0 H GLN B 63 11.381 3.293 -8.535 1.00 1.69 H new ATOM 0 HA GLN B 63 11.922 1.718 -10.714 1.00 1.51 H new ATOM 0 HB2 GLN B 63 11.419 1.092 -7.727 1.00 1.70 H new ATOM 0 HB3 GLN B 63 12.074 -0.104 -8.827 1.00 1.70 H new ATOM 0 HG2 GLN B 63 13.988 1.475 -9.348 1.00 2.04 H new ATOM 0 HG3 GLN B 63 13.349 2.601 -8.168 1.00 2.04 H new ATOM 0 HE21 GLN B 63 12.557 -0.561 -7.141 1.00 2.72 H new ATOM 0 HE22 GLN B 63 13.945 -0.791 -6.073 1.00 2.72 H new ATOM 2306 N PHE B 64 8.880 1.329 -10.095 1.00 1.50 N ATOM 2307 CA PHE B 64 7.832 0.483 -10.516 1.00 1.63 C ATOM 2308 C PHE B 64 7.449 0.829 -11.882 1.00 1.91 C ATOM 2309 O PHE B 64 8.089 0.360 -12.848 1.00 2.60 O ATOM 2310 CB PHE B 64 6.640 0.594 -9.565 1.00 1.89 C ATOM 2311 CG PHE B 64 6.990 0.000 -8.277 1.00 3.00 C ATOM 2312 CD1 PHE B 64 7.867 0.649 -7.417 1.00 3.73 C ATOM 2313 CD2 PHE B 64 6.420 -1.211 -7.902 1.00 3.61 C ATOM 2314 CE1 PHE B 64 8.179 0.081 -6.186 1.00 4.94 C ATOM 2315 CE2 PHE B 64 6.736 -1.780 -6.673 1.00 4.84 C ATOM 2316 CZ PHE B 64 7.615 -1.133 -5.814 1.00 5.47 C ATOM 0 H PHE B 64 8.601 2.260 -9.786 1.00 1.50 H new ATOM 0 HA PHE B 64 8.173 -0.552 -10.499 1.00 1.63 H new ATOM 0 HB2 PHE B 64 6.363 1.640 -9.432 1.00 1.89 H new ATOM 0 HB3 PHE B 64 5.774 0.086 -9.989 1.00 1.89 H new ATOM 0 HD1 PHE B 64 8.306 1.593 -7.704 1.00 3.73 H new ATOM 0 HD2 PHE B 64 5.731 -1.711 -8.566 1.00 3.61 H new ATOM 0 HE1 PHE B 64 8.861 0.585 -5.518 1.00 4.94 H new ATOM 0 HE2 PHE B 64 6.298 -2.725 -6.387 1.00 4.84 H new ATOM 0 HZ PHE B 64 7.860 -1.573 -4.858 1.00 5.47 H new ATOM 2326 N GLU B 65 6.434 1.676 -12.107 1.00 2.14 N ATOM 2327 CA GLU B 65 6.086 2.021 -13.429 1.00 2.99 C ATOM 2328 C GLU B 65 6.035 3.475 -13.535 1.00 3.60 C ATOM 2329 O GLU B 65 4.973 4.032 -13.887 1.00 4.49 O ATOM 2330 CB GLU B 65 4.698 1.465 -13.758 1.00 3.51 C ATOM 2331 CG GLU B 65 4.727 -0.065 -13.805 1.00 3.70 C ATOM 2332 CD GLU B 65 5.616 -0.510 -14.874 1.00 4.67 C ATOM 2333 OE1 GLU B 65 5.432 -0.112 -16.045 1.00 5.30 O ATOM 2334 OE2 GLU B 65 6.552 -1.301 -14.625 1.00 5.13 O ATOM 0 H GLU B 65 5.867 2.112 -11.380 1.00 2.14 H new ATOM 0 HA GLU B 65 6.823 1.609 -14.118 1.00 2.99 H new ATOM 0 HB2 GLU B 65 3.980 1.798 -13.008 1.00 3.51 H new ATOM 0 HB3 GLU B 65 4.361 1.857 -14.718 1.00 3.51 H new ATOM 0 HG2 GLU B 65 5.067 -0.461 -12.848 1.00 3.70 H new ATOM 0 HG3 GLU B 65 3.722 -0.452 -13.971 1.00 3.70 H new ATOM 2341 N LYS B 66 7.117 4.214 -13.254 1.00 3.37 N ATOM 2342 CA LYS B 66 7.047 5.618 -13.362 1.00 4.26 C ATOM 2343 C LYS B 66 8.064 6.087 -14.299 1.00 5.05 C ATOM 2344 O LYS B 66 8.944 6.890 -13.918 1.00 5.15 O ATOM 2345 CB LYS B 66 7.278 6.244 -11.986 1.00 4.08 C ATOM 2346 CG LYS B 66 6.151 5.812 -11.045 1.00 3.92 C ATOM 2347 CD LYS B 66 6.324 6.489 -9.685 1.00 4.31 C ATOM 2348 CE LYS B 66 6.127 7.998 -9.841 1.00 4.82 C ATOM 2349 NZ LYS B 66 6.184 8.635 -8.526 1.00 5.28 N ATOM 2350 OXT LYS B 66 8.054 5.687 -15.483 1.00 5.88 O ATOM 0 H LYS B 66 8.020 3.842 -12.958 1.00 3.37 H new ATOM 0 HA LYS B 66 6.063 5.909 -13.729 1.00 4.26 H new ATOM 0 HB2 LYS B 66 8.242 5.930 -11.587 1.00 4.08 H new ATOM 0 HB3 LYS B 66 7.305 7.331 -12.067 1.00 4.08 H new ATOM 0 HG2 LYS B 66 5.185 6.078 -11.474 1.00 3.92 H new ATOM 0 HG3 LYS B 66 6.159 4.729 -10.926 1.00 3.92 H new ATOM 0 HD2 LYS B 66 5.603 6.089 -8.973 1.00 4.31 H new ATOM 0 HD3 LYS B 66 7.316 6.280 -9.286 1.00 4.31 H new ATOM 0 HE2 LYS B 66 6.898 8.411 -10.491 1.00 4.82 H new ATOM 0 HE3 LYS B 66 5.167 8.203 -10.315 1.00 4.82 H new ATOM 0 HZ1 LYS B 66 6.050 9.661 -8.631 1.00 5.28 H new ATOM 0 HZ2 LYS B 66 5.433 8.248 -7.920 1.00 5.28 H new ATOM 0 HZ3 LYS B 66 7.110 8.450 -8.090 1.00 5.28 H new TER 2364 LYS B 66