USER MOD reduce.3.24.130724 H: found=0, std=0, add=513, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 7 SER OG : rot -116:sc= 1.22 USER MOD Set 1.2: A 36 ASN : amide:sc= 1.03 K(o=2.3,f=-0.18) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= -0.0384 (180deg=-0.0384) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 ASN : amide:sc= 0 K(o=0,f=0.65) USER MOD Single : A 10 ASN : amide:sc= -0.508 K(o=-0.51,f=-2.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 MET CE :methyl -150:sc= 0 (180deg=-1.31) USER MOD Single : A 22 HIS : no HD1:sc= -0.0729 K(o=-0.073,f=-0.6) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -5.06! C(o=-5.1!,f=-6.6!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.0257 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -2.53 K(o=-2.5,f=-3.5!) USER MOD Single : A 55 GLN : amide:sc= -4.28! C(o=-4.3!,f=-13!) USER MOD Single : A 56 MET CE :methyl 178:sc= 0 (180deg=-0.0076) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 HIS : no HE2:sc= -2.42! C(o=-2.4!,f=-7.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.400 -8.457 -1.710 1.00 2.16 N ATOM 2 CA MET A 1 1.011 -9.007 -1.705 1.00 1.81 C ATOM 3 C MET A 1 0.016 -7.951 -2.203 1.00 1.52 C ATOM 4 O MET A 1 0.049 -6.808 -1.784 1.00 1.58 O ATOM 5 CB MET A 1 0.732 -9.370 -0.247 1.00 1.96 C ATOM 6 CG MET A 1 -0.112 -10.640 -0.196 1.00 2.30 C ATOM 7 SD MET A 1 0.584 -11.775 1.027 1.00 2.92 S ATOM 8 CE MET A 1 -0.526 -13.161 0.684 1.00 3.09 C ATOM 0 H1 MET A 1 3.062 -9.183 -1.370 1.00 2.16 H new ATOM 0 H2 MET A 1 2.659 -8.177 -2.678 1.00 2.16 H new ATOM 0 H3 MET A 1 2.447 -7.627 -1.085 1.00 2.16 H new ATOM 0 HA MET A 1 0.907 -9.869 -2.364 1.00 1.81 H new ATOM 0 HB2 MET A 1 1.670 -9.521 0.288 1.00 1.96 H new ATOM 0 HB3 MET A 1 0.210 -8.552 0.250 1.00 1.96 H new ATOM 0 HG2 MET A 1 -1.142 -10.395 0.064 1.00 2.30 H new ATOM 0 HG3 MET A 1 -0.135 -11.114 -1.177 1.00 2.30 H new ATOM 0 HE1 MET A 1 -0.277 -13.997 1.338 1.00 3.09 H new ATOM 0 HE2 MET A 1 -1.557 -12.855 0.863 1.00 3.09 H new ATOM 0 HE3 MET A 1 -0.414 -13.468 -0.356 1.00 3.09 H new ATOM 17 N ASP A 2 -0.867 -8.329 -3.096 1.00 1.38 N ATOM 18 CA ASP A 2 -1.863 -7.349 -3.630 1.00 1.15 C ATOM 19 C ASP A 2 -3.254 -7.989 -3.730 1.00 0.98 C ATOM 20 O ASP A 2 -3.413 -9.082 -4.243 1.00 1.23 O ATOM 21 CB ASP A 2 -1.340 -6.974 -5.017 1.00 1.40 C ATOM 22 CG ASP A 2 -1.889 -5.603 -5.419 1.00 1.28 C ATOM 23 OD1 ASP A 2 -1.315 -4.612 -4.998 1.00 1.28 O ATOM 24 OD2 ASP A 2 -2.873 -5.569 -6.140 1.00 1.33 O ATOM 0 H ASP A 2 -0.940 -9.272 -3.477 1.00 1.38 H new ATOM 0 HA ASP A 2 -1.970 -6.479 -2.982 1.00 1.15 H new ATOM 0 HB2 ASP A 2 -0.250 -6.954 -5.013 1.00 1.40 H new ATOM 0 HB3 ASP A 2 -1.642 -7.726 -5.746 1.00 1.40 H new ATOM 29 N HIS A 3 -4.260 -7.308 -3.237 1.00 0.75 N ATOM 30 CA HIS A 3 -5.652 -7.853 -3.287 1.00 0.71 C ATOM 31 C HIS A 3 -6.538 -7.003 -4.209 1.00 0.81 C ATOM 32 O HIS A 3 -6.094 -6.030 -4.789 1.00 0.90 O ATOM 33 CB HIS A 3 -6.151 -7.764 -1.843 1.00 0.61 C ATOM 34 CG HIS A 3 -6.014 -9.106 -1.179 1.00 0.65 C ATOM 35 ND1 HIS A 3 -4.789 -9.611 -0.771 1.00 1.36 N ATOM 36 CD2 HIS A 3 -6.941 -10.059 -0.845 1.00 1.00 C ATOM 37 CE1 HIS A 3 -5.010 -10.816 -0.218 1.00 1.54 C ATOM 38 NE2 HIS A 3 -6.306 -11.139 -0.237 1.00 1.24 N ATOM 0 H HIS A 3 -4.175 -6.391 -2.799 1.00 0.75 H new ATOM 0 HA HIS A 3 -5.681 -8.870 -3.679 1.00 0.71 H new ATOM 0 HB2 HIS A 3 -5.578 -7.016 -1.295 1.00 0.61 H new ATOM 0 HB3 HIS A 3 -7.193 -7.443 -1.827 1.00 0.61 H new ATOM 0 HD2 HIS A 3 -8.003 -9.984 -1.026 1.00 1.00 H new ATOM 0 HE1 HIS A 3 -4.234 -11.446 0.192 1.00 1.54 H new ATOM 0 HE2 HIS A 3 -6.737 -11.993 0.117 1.00 1.24 H new ATOM 46 N SER A 4 -7.791 -7.365 -4.342 1.00 0.90 N ATOM 47 CA SER A 4 -8.718 -6.583 -5.220 1.00 1.07 C ATOM 48 C SER A 4 -9.376 -5.447 -4.422 1.00 1.02 C ATOM 49 O SER A 4 -9.457 -4.326 -4.885 1.00 1.07 O ATOM 50 CB SER A 4 -9.766 -7.592 -5.688 1.00 1.28 C ATOM 51 OG SER A 4 -9.132 -8.607 -6.449 1.00 2.18 O ATOM 0 H SER A 4 -8.213 -8.170 -3.879 1.00 0.90 H new ATOM 0 HA SER A 4 -8.199 -6.118 -6.058 1.00 1.07 H new ATOM 0 HB2 SER A 4 -10.275 -8.030 -4.829 1.00 1.28 H new ATOM 0 HB3 SER A 4 -10.526 -7.092 -6.289 1.00 1.28 H new ATOM 0 HG SER A 4 -9.801 -9.257 -6.749 1.00 2.18 H new ATOM 57 N LEU A 5 -9.843 -5.732 -3.229 1.00 0.99 N ATOM 58 CA LEU A 5 -10.493 -4.668 -2.396 1.00 1.04 C ATOM 59 C LEU A 5 -9.482 -4.074 -1.404 1.00 0.88 C ATOM 60 O LEU A 5 -9.471 -2.882 -1.161 1.00 0.92 O ATOM 61 CB LEU A 5 -11.624 -5.377 -1.637 1.00 1.20 C ATOM 62 CG LEU A 5 -12.953 -5.229 -2.391 1.00 1.45 C ATOM 63 CD1 LEU A 5 -13.352 -3.751 -2.467 1.00 1.60 C ATOM 64 CD2 LEU A 5 -12.811 -5.795 -3.808 1.00 1.50 C ATOM 0 H LEU A 5 -9.802 -6.655 -2.796 1.00 0.99 H new ATOM 0 HA LEU A 5 -10.865 -3.846 -3.008 1.00 1.04 H new ATOM 0 HB2 LEU A 5 -11.383 -6.433 -1.517 1.00 1.20 H new ATOM 0 HB3 LEU A 5 -11.718 -4.956 -0.636 1.00 1.20 H new ATOM 0 HG LEU A 5 -13.726 -5.781 -1.856 1.00 1.45 H new ATOM 0 HD11 LEU A 5 -14.296 -3.656 -3.004 1.00 1.60 H new ATOM 0 HD12 LEU A 5 -13.466 -3.353 -1.459 1.00 1.60 H new ATOM 0 HD13 LEU A 5 -12.578 -3.192 -2.993 1.00 1.60 H new ATOM 0 HD21 LEU A 5 -13.757 -5.688 -4.339 1.00 1.50 H new ATOM 0 HD22 LEU A 5 -12.032 -5.250 -4.341 1.00 1.50 H new ATOM 0 HD23 LEU A 5 -12.543 -6.850 -3.753 1.00 1.50 H new ATOM 76 N ASN A 6 -8.640 -4.903 -0.829 1.00 0.77 N ATOM 77 CA ASN A 6 -7.627 -4.403 0.155 1.00 0.69 C ATOM 78 C ASN A 6 -6.645 -3.437 -0.521 1.00 0.58 C ATOM 79 O ASN A 6 -6.327 -2.392 0.017 1.00 0.64 O ATOM 80 CB ASN A 6 -6.895 -5.655 0.647 1.00 0.66 C ATOM 81 CG ASN A 6 -7.102 -5.815 2.154 1.00 1.11 C ATOM 82 OD1 ASN A 6 -7.986 -6.530 2.585 1.00 1.49 O ATOM 83 ND2 ASN A 6 -6.316 -5.177 2.977 1.00 1.50 N ATOM 0 H ASN A 6 -8.612 -5.908 -1.001 1.00 0.77 H new ATOM 0 HA ASN A 6 -8.093 -3.853 0.973 1.00 0.69 H new ATOM 0 HB2 ASN A 6 -7.268 -6.535 0.124 1.00 0.66 H new ATOM 0 HB3 ASN A 6 -5.831 -5.578 0.423 1.00 0.66 H new ATOM 0 HD21 ASN A 6 -6.442 -5.278 3.984 1.00 1.50 H new ATOM 0 HD22 ASN A 6 -5.575 -4.578 2.613 1.00 1.50 H new ATOM 90 N SER A 7 -6.164 -3.775 -1.695 1.00 0.54 N ATOM 91 CA SER A 7 -5.206 -2.870 -2.403 1.00 0.51 C ATOM 92 C SER A 7 -5.915 -1.589 -2.861 1.00 0.52 C ATOM 93 O SER A 7 -5.336 -0.523 -2.848 1.00 0.54 O ATOM 94 CB SER A 7 -4.707 -3.661 -3.613 1.00 0.59 C ATOM 95 OG SER A 7 -3.499 -3.078 -4.085 1.00 0.74 O ATOM 0 H SER A 7 -6.394 -4.636 -2.191 1.00 0.54 H new ATOM 0 HA SER A 7 -4.386 -2.567 -1.752 1.00 0.51 H new ATOM 0 HB2 SER A 7 -4.539 -4.702 -3.338 1.00 0.59 H new ATOM 0 HB3 SER A 7 -5.460 -3.657 -4.401 1.00 0.59 H new ATOM 0 HG SER A 7 -3.637 -2.727 -4.990 1.00 0.74 H new ATOM 101 N LEU A 8 -7.165 -1.683 -3.259 1.00 0.58 N ATOM 102 CA LEU A 8 -7.908 -0.463 -3.712 1.00 0.64 C ATOM 103 C LEU A 8 -7.990 0.554 -2.566 1.00 0.58 C ATOM 104 O LEU A 8 -7.704 1.723 -2.745 1.00 0.59 O ATOM 105 CB LEU A 8 -9.308 -0.953 -4.096 1.00 0.80 C ATOM 106 CG LEU A 8 -9.917 -0.005 -5.134 1.00 1.18 C ATOM 107 CD1 LEU A 8 -10.177 -0.770 -6.437 1.00 1.41 C ATOM 108 CD2 LEU A 8 -11.235 0.563 -4.597 1.00 1.68 C ATOM 0 H LEU A 8 -7.700 -2.551 -3.289 1.00 0.58 H new ATOM 0 HA LEU A 8 -7.414 0.031 -4.549 1.00 0.64 H new ATOM 0 HB2 LEU A 8 -9.252 -1.964 -4.500 1.00 0.80 H new ATOM 0 HB3 LEU A 8 -9.944 -0.998 -3.212 1.00 0.80 H new ATOM 0 HG LEU A 8 -9.224 0.814 -5.329 1.00 1.18 H new ATOM 0 HD11 LEU A 8 -10.610 -0.095 -7.175 1.00 1.41 H new ATOM 0 HD12 LEU A 8 -9.237 -1.169 -6.818 1.00 1.41 H new ATOM 0 HD13 LEU A 8 -10.869 -1.590 -6.245 1.00 1.41 H new ATOM 0 HD21 LEU A 8 -11.668 1.238 -5.336 1.00 1.68 H new ATOM 0 HD22 LEU A 8 -11.930 -0.254 -4.400 1.00 1.68 H new ATOM 0 HD23 LEU A 8 -11.046 1.110 -3.673 1.00 1.68 H new ATOM 120 N ASN A 9 -8.365 0.108 -1.389 1.00 0.59 N ATOM 121 CA ASN A 9 -8.452 1.038 -0.221 1.00 0.60 C ATOM 122 C ASN A 9 -7.057 1.573 0.124 1.00 0.51 C ATOM 123 O ASN A 9 -6.892 2.737 0.439 1.00 0.57 O ATOM 124 CB ASN A 9 -9.003 0.192 0.933 1.00 0.67 C ATOM 125 CG ASN A 9 -10.528 0.108 0.829 1.00 0.78 C ATOM 126 OD1 ASN A 9 -11.054 -0.729 0.123 1.00 1.04 O ATOM 127 ND2 ASN A 9 -11.264 0.948 1.507 1.00 1.09 N ATOM 0 H ASN A 9 -8.614 -0.861 -1.189 1.00 0.59 H new ATOM 0 HA ASN A 9 -9.088 1.899 -0.426 1.00 0.60 H new ATOM 0 HB2 ASN A 9 -8.571 -0.808 0.902 1.00 0.67 H new ATOM 0 HB3 ASN A 9 -8.718 0.633 1.888 1.00 0.67 H new ATOM 0 HD21 ASN A 9 -12.281 0.901 1.444 1.00 1.09 H new ATOM 0 HD22 ASN A 9 -10.822 1.651 2.100 1.00 1.09 H new ATOM 134 N ASN A 10 -6.051 0.732 0.052 1.00 0.43 N ATOM 135 CA ASN A 10 -4.661 1.186 0.361 1.00 0.39 C ATOM 136 C ASN A 10 -4.184 2.180 -0.707 1.00 0.35 C ATOM 137 O ASN A 10 -3.599 3.195 -0.397 1.00 0.37 O ATOM 138 CB ASN A 10 -3.804 -0.085 0.335 1.00 0.41 C ATOM 139 CG ASN A 10 -2.357 0.258 0.705 1.00 0.45 C ATOM 140 OD1 ASN A 10 -1.975 0.176 1.856 1.00 0.54 O ATOM 141 ND2 ASN A 10 -1.530 0.643 -0.230 1.00 0.54 N ATOM 0 H ASN A 10 -6.136 -0.251 -0.208 1.00 0.43 H new ATOM 0 HA ASN A 10 -4.598 1.694 1.323 1.00 0.39 H new ATOM 0 HB2 ASN A 10 -4.204 -0.819 1.035 1.00 0.41 H new ATOM 0 HB3 ASN A 10 -3.838 -0.538 -0.656 1.00 0.41 H new ATOM 0 HD21 ASN A 10 -0.565 0.874 0.006 1.00 0.54 H new ATOM 0 HD22 ASN A 10 -1.849 0.712 -1.196 1.00 0.54 H new ATOM 148 N PHE A 11 -4.431 1.888 -1.963 1.00 0.37 N ATOM 149 CA PHE A 11 -3.995 2.806 -3.063 1.00 0.36 C ATOM 150 C PHE A 11 -4.561 4.220 -2.858 1.00 0.34 C ATOM 151 O PHE A 11 -3.894 5.198 -3.120 1.00 0.41 O ATOM 152 CB PHE A 11 -4.558 2.189 -4.348 1.00 0.41 C ATOM 153 CG PHE A 11 -3.643 2.497 -5.513 1.00 0.41 C ATOM 154 CD1 PHE A 11 -3.426 3.826 -5.904 1.00 0.55 C ATOM 155 CD2 PHE A 11 -3.016 1.455 -6.205 1.00 0.49 C ATOM 156 CE1 PHE A 11 -2.583 4.109 -6.984 1.00 0.62 C ATOM 157 CE2 PHE A 11 -2.172 1.740 -7.285 1.00 0.53 C ATOM 158 CZ PHE A 11 -1.956 3.067 -7.674 1.00 0.54 C ATOM 0 H PHE A 11 -4.919 1.048 -2.274 1.00 0.37 H new ATOM 0 HA PHE A 11 -2.910 2.907 -3.094 1.00 0.36 H new ATOM 0 HB2 PHE A 11 -4.659 1.110 -4.229 1.00 0.41 H new ATOM 0 HB3 PHE A 11 -5.555 2.583 -4.544 1.00 0.41 H new ATOM 0 HD1 PHE A 11 -3.910 4.631 -5.371 1.00 0.55 H new ATOM 0 HD2 PHE A 11 -3.183 0.431 -5.906 1.00 0.49 H new ATOM 0 HE1 PHE A 11 -2.416 5.133 -7.285 1.00 0.62 H new ATOM 0 HE2 PHE A 11 -1.687 0.936 -7.818 1.00 0.53 H new ATOM 0 HZ PHE A 11 -1.305 3.286 -8.507 1.00 0.54 H new ATOM 168 N ASP A 12 -5.786 4.334 -2.403 1.00 0.33 N ATOM 169 CA ASP A 12 -6.393 5.689 -2.196 1.00 0.34 C ATOM 170 C ASP A 12 -5.752 6.406 -0.999 1.00 0.29 C ATOM 171 O ASP A 12 -5.239 7.503 -1.131 1.00 0.30 O ATOM 172 CB ASP A 12 -7.880 5.430 -1.932 1.00 0.41 C ATOM 173 CG ASP A 12 -8.628 5.335 -3.264 1.00 0.49 C ATOM 174 OD1 ASP A 12 -9.051 6.367 -3.758 1.00 0.76 O ATOM 175 OD2 ASP A 12 -8.764 4.232 -3.768 1.00 0.59 O ATOM 0 H ASP A 12 -6.392 3.548 -2.166 1.00 0.33 H new ATOM 0 HA ASP A 12 -6.236 6.333 -3.061 1.00 0.34 H new ATOM 0 HB2 ASP A 12 -8.004 4.506 -1.367 1.00 0.41 H new ATOM 0 HB3 ASP A 12 -8.298 6.233 -1.325 1.00 0.41 H new ATOM 180 N PHE A 13 -5.781 5.803 0.167 1.00 0.30 N ATOM 181 CA PHE A 13 -5.179 6.464 1.370 1.00 0.30 C ATOM 182 C PHE A 13 -3.661 6.633 1.194 1.00 0.26 C ATOM 183 O PHE A 13 -3.087 7.607 1.647 1.00 0.28 O ATOM 184 CB PHE A 13 -5.530 5.543 2.560 1.00 0.36 C ATOM 185 CG PHE A 13 -4.287 4.982 3.226 1.00 0.33 C ATOM 186 CD1 PHE A 13 -3.499 5.794 4.057 1.00 0.35 C ATOM 187 CD2 PHE A 13 -3.937 3.643 3.025 1.00 0.35 C ATOM 188 CE1 PHE A 13 -2.367 5.261 4.684 1.00 0.38 C ATOM 189 CE2 PHE A 13 -2.803 3.113 3.649 1.00 0.38 C ATOM 190 CZ PHE A 13 -2.019 3.921 4.480 1.00 0.37 C ATOM 0 H PHE A 13 -6.194 4.886 0.337 1.00 0.30 H new ATOM 0 HA PHE A 13 -5.568 7.470 1.529 1.00 0.30 H new ATOM 0 HB2 PHE A 13 -6.113 6.102 3.292 1.00 0.36 H new ATOM 0 HB3 PHE A 13 -6.157 4.722 2.212 1.00 0.36 H new ATOM 0 HD1 PHE A 13 -3.766 6.829 4.212 1.00 0.35 H new ATOM 0 HD2 PHE A 13 -4.543 3.017 2.387 1.00 0.35 H new ATOM 0 HE1 PHE A 13 -1.762 5.884 5.326 1.00 0.38 H new ATOM 0 HE2 PHE A 13 -2.532 2.080 3.489 1.00 0.38 H new ATOM 0 HZ PHE A 13 -1.145 3.510 4.964 1.00 0.37 H new ATOM 200 N LEU A 14 -3.005 5.704 0.543 1.00 0.23 N ATOM 201 CA LEU A 14 -1.533 5.843 0.355 1.00 0.20 C ATOM 202 C LEU A 14 -1.220 6.755 -0.831 1.00 0.19 C ATOM 203 O LEU A 14 -0.205 7.401 -0.839 1.00 0.22 O ATOM 204 CB LEU A 14 -0.989 4.434 0.103 1.00 0.21 C ATOM 205 CG LEU A 14 0.319 4.209 0.889 1.00 0.23 C ATOM 206 CD1 LEU A 14 1.075 5.528 1.103 1.00 0.28 C ATOM 207 CD2 LEU A 14 -0.024 3.598 2.246 1.00 0.36 C ATOM 0 H LEU A 14 -3.422 4.865 0.139 1.00 0.23 H new ATOM 0 HA LEU A 14 -1.071 6.293 1.234 1.00 0.20 H new ATOM 0 HB2 LEU A 14 -1.731 3.693 0.401 1.00 0.21 H new ATOM 0 HB3 LEU A 14 -0.808 4.293 -0.963 1.00 0.21 H new ATOM 0 HG LEU A 14 0.961 3.540 0.316 1.00 0.23 H new ATOM 0 HD11 LEU A 14 1.992 5.336 1.660 1.00 0.28 H new ATOM 0 HD12 LEU A 14 1.323 5.966 0.136 1.00 0.28 H new ATOM 0 HD13 LEU A 14 0.448 6.220 1.665 1.00 0.28 H new ATOM 0 HD21 LEU A 14 0.892 3.433 2.813 1.00 0.36 H new ATOM 0 HD22 LEU A 14 -0.675 4.277 2.797 1.00 0.36 H new ATOM 0 HD23 LEU A 14 -0.535 2.647 2.098 1.00 0.36 H new ATOM 219 N ALA A 15 -2.068 6.825 -1.832 1.00 0.22 N ATOM 220 CA ALA A 15 -1.765 7.727 -2.995 1.00 0.23 C ATOM 221 C ALA A 15 -1.356 9.111 -2.470 1.00 0.23 C ATOM 222 O ALA A 15 -0.303 9.630 -2.806 1.00 0.25 O ATOM 223 CB ALA A 15 -3.063 7.815 -3.803 1.00 0.28 C ATOM 0 H ALA A 15 -2.944 6.306 -1.896 1.00 0.22 H new ATOM 0 HA ALA A 15 -0.947 7.352 -3.610 1.00 0.23 H new ATOM 0 HB1 ALA A 15 -2.910 8.460 -4.668 1.00 0.28 H new ATOM 0 HB2 ALA A 15 -3.350 6.819 -4.139 1.00 0.28 H new ATOM 0 HB3 ALA A 15 -3.854 8.229 -3.177 1.00 0.28 H new ATOM 229 N ARG A 16 -2.170 9.692 -1.619 1.00 0.24 N ATOM 230 CA ARG A 16 -1.828 11.030 -1.033 1.00 0.27 C ATOM 231 C ARG A 16 -0.609 10.907 -0.102 1.00 0.25 C ATOM 232 O ARG A 16 0.239 11.779 -0.065 1.00 0.31 O ATOM 233 CB ARG A 16 -3.068 11.501 -0.245 1.00 0.31 C ATOM 234 CG ARG A 16 -3.626 10.379 0.651 1.00 0.33 C ATOM 235 CD ARG A 16 -3.308 10.660 2.127 1.00 0.46 C ATOM 236 NE ARG A 16 -4.099 11.875 2.490 1.00 0.83 N ATOM 237 CZ ARG A 16 -4.607 11.989 3.693 1.00 1.74 C ATOM 238 NH1 ARG A 16 -5.791 11.498 3.953 1.00 2.49 N ATOM 239 NH2 ARG A 16 -3.928 12.600 4.633 1.00 2.47 N ATOM 0 H ARG A 16 -3.057 9.298 -1.305 1.00 0.24 H new ATOM 0 HA ARG A 16 -1.570 11.747 -1.813 1.00 0.27 H new ATOM 0 HB2 ARG A 16 -2.805 12.362 0.369 1.00 0.31 H new ATOM 0 HB3 ARG A 16 -3.840 11.830 -0.941 1.00 0.31 H new ATOM 0 HG2 ARG A 16 -4.704 10.299 0.514 1.00 0.33 H new ATOM 0 HG3 ARG A 16 -3.195 9.422 0.356 1.00 0.33 H new ATOM 0 HD2 ARG A 16 -3.583 9.812 2.755 1.00 0.46 H new ATOM 0 HD3 ARG A 16 -2.241 10.830 2.272 1.00 0.46 H new ATOM 0 HE ARG A 16 -4.243 12.615 1.803 1.00 0.83 H new ATOM 0 HH11 ARG A 16 -6.320 11.026 3.219 1.00 2.49 H new ATOM 0 HH12 ARG A 16 -6.186 11.587 4.889 1.00 2.49 H new ATOM 0 HH21 ARG A 16 -3.006 12.986 4.428 1.00 2.47 H new ATOM 0 HH22 ARG A 16 -4.321 12.690 5.570 1.00 2.47 H new ATOM 253 N SER A 17 -0.517 9.831 0.648 1.00 0.23 N ATOM 254 CA SER A 17 0.645 9.648 1.578 1.00 0.25 C ATOM 255 C SER A 17 1.929 9.308 0.802 1.00 0.24 C ATOM 256 O SER A 17 3.011 9.662 1.218 1.00 0.33 O ATOM 257 CB SER A 17 0.247 8.487 2.492 1.00 0.27 C ATOM 258 OG SER A 17 -0.282 9.004 3.706 1.00 0.65 O ATOM 0 H SER A 17 -1.198 9.071 0.655 1.00 0.23 H new ATOM 0 HA SER A 17 0.858 10.559 2.138 1.00 0.25 H new ATOM 0 HB2 SER A 17 -0.494 7.858 1.998 1.00 0.27 H new ATOM 0 HB3 SER A 17 1.113 7.858 2.698 1.00 0.27 H new ATOM 0 HG SER A 17 -0.539 8.262 4.293 1.00 0.65 H new ATOM 264 N PHE A 18 1.817 8.631 -0.319 1.00 0.22 N ATOM 265 CA PHE A 18 3.030 8.272 -1.124 1.00 0.22 C ATOM 266 C PHE A 18 3.806 9.549 -1.465 1.00 0.24 C ATOM 267 O PHE A 18 5.004 9.631 -1.270 1.00 0.30 O ATOM 268 CB PHE A 18 2.501 7.617 -2.409 1.00 0.23 C ATOM 269 CG PHE A 18 2.509 6.109 -2.270 1.00 0.22 C ATOM 270 CD1 PHE A 18 3.715 5.419 -2.085 1.00 0.24 C ATOM 271 CD2 PHE A 18 1.304 5.398 -2.328 1.00 0.23 C ATOM 272 CE1 PHE A 18 3.712 4.022 -1.957 1.00 0.25 C ATOM 273 CE2 PHE A 18 1.305 4.006 -2.201 1.00 0.23 C ATOM 274 CZ PHE A 18 2.504 3.318 -2.016 1.00 0.23 C ATOM 0 H PHE A 18 0.932 8.310 -0.712 1.00 0.22 H new ATOM 0 HA PHE A 18 3.700 7.603 -0.584 1.00 0.22 H new ATOM 0 HB2 PHE A 18 1.488 7.965 -2.613 1.00 0.23 H new ATOM 0 HB3 PHE A 18 3.117 7.914 -3.258 1.00 0.23 H new ATOM 0 HD1 PHE A 18 4.647 5.963 -2.041 1.00 0.24 H new ATOM 0 HD2 PHE A 18 0.373 5.926 -2.471 1.00 0.23 H new ATOM 0 HE1 PHE A 18 4.641 3.490 -1.813 1.00 0.25 H new ATOM 0 HE2 PHE A 18 0.374 3.461 -2.246 1.00 0.23 H new ATOM 0 HZ PHE A 18 2.500 2.242 -1.918 1.00 0.23 H new ATOM 284 N ALA A 19 3.116 10.555 -1.961 1.00 0.25 N ATOM 285 CA ALA A 19 3.795 11.844 -2.303 1.00 0.28 C ATOM 286 C ALA A 19 4.307 12.525 -1.024 1.00 0.28 C ATOM 287 O ALA A 19 5.374 13.110 -1.011 1.00 0.34 O ATOM 288 CB ALA A 19 2.722 12.700 -2.980 1.00 0.32 C ATOM 0 H ALA A 19 2.112 10.535 -2.142 1.00 0.25 H new ATOM 0 HA ALA A 19 4.658 11.696 -2.952 1.00 0.28 H new ATOM 0 HB1 ALA A 19 3.148 13.663 -3.260 1.00 0.32 H new ATOM 0 HB2 ALA A 19 2.360 12.190 -3.873 1.00 0.32 H new ATOM 0 HB3 ALA A 19 1.893 12.857 -2.290 1.00 0.32 H new ATOM 294 N ARG A 20 3.558 12.437 0.055 1.00 0.27 N ATOM 295 CA ARG A 20 4.003 13.063 1.342 1.00 0.30 C ATOM 296 C ARG A 20 5.235 12.325 1.888 1.00 0.29 C ATOM 297 O ARG A 20 6.141 12.931 2.431 1.00 0.35 O ATOM 298 CB ARG A 20 2.818 12.906 2.298 1.00 0.34 C ATOM 299 CG ARG A 20 3.013 13.827 3.507 1.00 0.54 C ATOM 300 CD ARG A 20 2.754 13.043 4.798 1.00 0.89 C ATOM 301 NE ARG A 20 4.099 12.843 5.416 1.00 1.01 N ATOM 302 CZ ARG A 20 4.305 11.834 6.225 1.00 1.08 C ATOM 303 NH1 ARG A 20 4.055 11.960 7.503 1.00 1.25 N ATOM 304 NH2 ARG A 20 4.766 10.705 5.754 1.00 1.67 N ATOM 0 H ARG A 20 2.658 11.958 0.097 1.00 0.27 H new ATOM 0 HA ARG A 20 4.284 14.108 1.215 1.00 0.30 H new ATOM 0 HB2 ARG A 20 1.888 13.153 1.785 1.00 0.34 H new ATOM 0 HB3 ARG A 20 2.736 11.870 2.626 1.00 0.34 H new ATOM 0 HG2 ARG A 20 4.026 14.229 3.511 1.00 0.54 H new ATOM 0 HG3 ARG A 20 2.333 14.677 3.443 1.00 0.54 H new ATOM 0 HD2 ARG A 20 2.092 13.594 5.466 1.00 0.89 H new ATOM 0 HD3 ARG A 20 2.272 12.088 4.588 1.00 0.89 H new ATOM 0 HE ARG A 20 4.857 13.493 5.208 1.00 1.01 H new ATOM 0 HH11 ARG A 20 3.700 12.844 7.869 1.00 1.25 H new ATOM 0 HH12 ARG A 20 4.215 11.175 8.134 1.00 1.25 H new ATOM 0 HH21 ARG A 20 4.965 10.611 4.758 1.00 1.67 H new ATOM 0 HH22 ARG A 20 4.927 9.918 6.383 1.00 1.67 H new ATOM 318 N MET A 21 5.274 11.022 1.735 1.00 0.28 N ATOM 319 CA MET A 21 6.444 10.227 2.228 1.00 0.28 C ATOM 320 C MET A 21 7.692 10.529 1.382 1.00 0.31 C ATOM 321 O MET A 21 8.807 10.320 1.820 1.00 0.39 O ATOM 322 CB MET A 21 6.037 8.759 2.061 1.00 0.31 C ATOM 323 CG MET A 21 4.879 8.423 3.006 1.00 0.38 C ATOM 324 SD MET A 21 5.497 7.443 4.396 1.00 0.72 S ATOM 325 CE MET A 21 3.899 6.796 4.949 1.00 0.92 C ATOM 0 H MET A 21 4.541 10.472 1.287 1.00 0.28 H new ATOM 0 HA MET A 21 6.690 10.468 3.262 1.00 0.28 H new ATOM 0 HB2 MET A 21 5.741 8.571 1.029 1.00 0.31 H new ATOM 0 HB3 MET A 21 6.888 8.111 2.272 1.00 0.31 H new ATOM 0 HG2 MET A 21 4.416 9.340 3.371 1.00 0.38 H new ATOM 0 HG3 MET A 21 4.108 7.868 2.471 1.00 0.38 H new ATOM 0 HE1 MET A 21 3.928 6.626 6.025 1.00 0.92 H new ATOM 0 HE2 MET A 21 3.115 7.516 4.716 1.00 0.92 H new ATOM 0 HE3 MET A 21 3.691 5.856 4.439 1.00 0.92 H new ATOM 335 N HIS A 22 7.511 11.018 0.173 1.00 0.32 N ATOM 336 CA HIS A 22 8.683 11.334 -0.702 1.00 0.39 C ATOM 337 C HIS A 22 9.593 12.377 -0.035 1.00 0.43 C ATOM 338 O HIS A 22 10.802 12.239 -0.032 1.00 0.54 O ATOM 339 CB HIS A 22 8.079 11.894 -1.993 1.00 0.44 C ATOM 340 CG HIS A 22 9.131 11.932 -3.065 1.00 0.45 C ATOM 341 ND1 HIS A 22 9.522 10.798 -3.760 1.00 0.42 N ATOM 342 CD2 HIS A 22 9.889 12.959 -3.568 1.00 0.67 C ATOM 343 CE1 HIS A 22 10.475 11.166 -4.634 1.00 0.52 C ATOM 344 NE2 HIS A 22 10.737 12.474 -4.559 1.00 0.67 N ATOM 0 H HIS A 22 6.600 11.211 -0.242 1.00 0.32 H new ATOM 0 HA HIS A 22 9.300 10.455 -0.887 1.00 0.39 H new ATOM 0 HB2 HIS A 22 7.241 11.275 -2.313 1.00 0.44 H new ATOM 0 HB3 HIS A 22 7.687 12.896 -1.818 1.00 0.44 H new ATOM 0 HD2 HIS A 22 9.836 13.988 -3.244 1.00 0.67 H new ATOM 0 HE1 HIS A 22 10.969 10.487 -5.314 1.00 0.52 H new ATOM 0 HE2 HIS A 22 11.413 13.003 -5.110 1.00 0.67 H new ATOM 352 N ALA A 23 9.022 13.412 0.530 1.00 0.44 N ATOM 353 CA ALA A 23 9.851 14.462 1.200 1.00 0.54 C ATOM 354 C ALA A 23 10.227 14.030 2.625 1.00 0.54 C ATOM 355 O ALA A 23 11.275 14.390 3.131 1.00 0.67 O ATOM 356 CB ALA A 23 8.967 15.712 1.233 1.00 0.59 C ATOM 0 H ALA A 23 8.016 13.575 0.556 1.00 0.44 H new ATOM 0 HA ALA A 23 10.787 14.638 0.670 1.00 0.54 H new ATOM 0 HB1 ALA A 23 9.508 16.528 1.712 1.00 0.59 H new ATOM 0 HB2 ALA A 23 8.704 15.999 0.215 1.00 0.59 H new ATOM 0 HB3 ALA A 23 8.058 15.500 1.796 1.00 0.59 H new ATOM 362 N GLU A 24 9.382 13.265 3.277 1.00 0.48 N ATOM 363 CA GLU A 24 9.693 12.813 4.672 1.00 0.54 C ATOM 364 C GLU A 24 10.772 11.719 4.669 1.00 0.52 C ATOM 365 O GLU A 24 11.503 11.563 5.630 1.00 0.62 O ATOM 366 CB GLU A 24 8.373 12.256 5.216 1.00 0.56 C ATOM 367 CG GLU A 24 7.908 13.100 6.405 1.00 0.71 C ATOM 368 CD GLU A 24 8.361 12.440 7.710 1.00 0.89 C ATOM 369 OE1 GLU A 24 9.498 12.658 8.097 1.00 1.06 O ATOM 370 OE2 GLU A 24 7.563 11.730 8.300 1.00 1.06 O ATOM 0 H GLU A 24 8.492 12.935 2.904 1.00 0.48 H new ATOM 0 HA GLU A 24 10.080 13.630 5.282 1.00 0.54 H new ATOM 0 HB2 GLU A 24 7.614 12.263 4.434 1.00 0.56 H new ATOM 0 HB3 GLU A 24 8.504 11.218 5.523 1.00 0.56 H new ATOM 0 HG2 GLU A 24 8.319 14.107 6.333 1.00 0.71 H new ATOM 0 HG3 GLU A 24 6.822 13.198 6.392 1.00 0.71 H new ATOM 377 N GLY A 25 10.876 10.960 3.603 1.00 0.47 N ATOM 378 CA GLY A 25 11.902 9.875 3.543 1.00 0.50 C ATOM 379 C GLY A 25 11.437 8.680 4.384 1.00 0.45 C ATOM 380 O GLY A 25 12.231 8.013 5.020 1.00 0.54 O ATOM 0 H GLY A 25 10.292 11.047 2.771 1.00 0.47 H new ATOM 0 HA2 GLY A 25 12.059 9.566 2.510 1.00 0.50 H new ATOM 0 HA3 GLY A 25 12.858 10.244 3.914 1.00 0.50 H new ATOM 384 N ARG A 26 10.153 8.406 4.389 1.00 0.38 N ATOM 385 CA ARG A 26 9.625 7.257 5.185 1.00 0.36 C ATOM 386 C ARG A 26 9.327 6.069 4.260 1.00 0.31 C ATOM 387 O ARG A 26 9.166 6.245 3.069 1.00 0.31 O ATOM 388 CB ARG A 26 8.332 7.778 5.823 1.00 0.39 C ATOM 389 CG ARG A 26 8.659 8.852 6.866 1.00 0.44 C ATOM 390 CD ARG A 26 9.264 8.195 8.111 1.00 0.48 C ATOM 391 NE ARG A 26 10.638 8.765 8.222 1.00 0.70 N ATOM 392 CZ ARG A 26 11.598 8.055 8.753 1.00 0.75 C ATOM 393 NH1 ARG A 26 12.322 7.270 8.000 1.00 1.12 N ATOM 394 NH2 ARG A 26 11.833 8.133 10.037 1.00 1.09 N ATOM 0 H ARG A 26 9.448 8.932 3.873 1.00 0.38 H new ATOM 0 HA ARG A 26 10.337 6.909 5.933 1.00 0.36 H new ATOM 0 HB2 ARG A 26 7.679 8.192 5.055 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.791 6.956 6.292 1.00 0.39 H new ATOM 0 HG2 ARG A 26 9.358 9.577 6.449 1.00 0.44 H new ATOM 0 HG3 ARG A 26 7.755 9.399 7.134 1.00 0.44 H new ATOM 0 HD2 ARG A 26 8.673 8.415 9.000 1.00 0.48 H new ATOM 0 HD3 ARG A 26 9.294 7.110 8.009 1.00 0.48 H new ATOM 0 HE ARG A 26 10.828 9.708 7.884 1.00 0.70 H new ATOM 0 HH11 ARG A 26 12.138 7.212 6.998 1.00 1.12 H new ATOM 0 HH12 ARG A 26 13.072 6.716 8.414 1.00 1.12 H new ATOM 0 HH21 ARG A 26 11.267 8.747 10.623 1.00 1.09 H new ATOM 0 HH22 ARG A 26 12.582 7.579 10.453 1.00 1.09 H new ATOM 408 N PRO A 27 9.264 4.892 4.841 1.00 0.31 N ATOM 409 CA PRO A 27 8.983 3.667 4.049 1.00 0.30 C ATOM 410 C PRO A 27 7.527 3.650 3.566 1.00 0.28 C ATOM 411 O PRO A 27 6.599 3.860 4.326 1.00 0.32 O ATOM 412 CB PRO A 27 9.265 2.529 5.026 1.00 0.38 C ATOM 413 CG PRO A 27 9.092 3.129 6.381 1.00 0.42 C ATOM 414 CD PRO A 27 9.442 4.592 6.268 1.00 0.38 C ATOM 0 HA PRO A 27 9.588 3.596 3.145 1.00 0.30 H new ATOM 0 HB2 PRO A 27 8.577 1.698 4.872 1.00 0.38 H new ATOM 0 HB3 PRO A 27 10.273 2.137 4.894 1.00 0.38 H new ATOM 0 HG2 PRO A 27 8.067 3.004 6.729 1.00 0.42 H new ATOM 0 HG3 PRO A 27 9.737 2.634 7.107 1.00 0.42 H new ATOM 0 HD2 PRO A 27 8.791 5.207 6.889 1.00 0.38 H new ATOM 0 HD3 PRO A 27 10.465 4.784 6.591 1.00 0.38 H new ATOM 422 N VAL A 28 7.339 3.407 2.296 1.00 0.25 N ATOM 423 CA VAL A 28 5.966 3.374 1.703 1.00 0.24 C ATOM 424 C VAL A 28 5.849 2.124 0.833 1.00 0.24 C ATOM 425 O VAL A 28 6.677 1.889 -0.027 1.00 0.29 O ATOM 426 CB VAL A 28 5.851 4.647 0.844 1.00 0.22 C ATOM 427 CG1 VAL A 28 4.406 5.132 0.837 1.00 0.26 C ATOM 428 CG2 VAL A 28 6.731 5.765 1.414 1.00 0.25 C ATOM 0 H VAL A 28 8.091 3.227 1.631 1.00 0.25 H new ATOM 0 HA VAL A 28 5.177 3.343 2.455 1.00 0.24 H new ATOM 0 HB VAL A 28 6.178 4.405 -0.167 1.00 0.22 H new ATOM 0 HG11 VAL A 28 4.328 6.033 0.228 1.00 0.26 H new ATOM 0 HG12 VAL A 28 3.764 4.356 0.421 1.00 0.26 H new ATOM 0 HG13 VAL A 28 4.092 5.355 1.857 1.00 0.26 H new ATOM 0 HG21 VAL A 28 6.636 6.656 0.793 1.00 0.25 H new ATOM 0 HG22 VAL A 28 6.413 5.996 2.431 1.00 0.25 H new ATOM 0 HG23 VAL A 28 7.771 5.440 1.424 1.00 0.25 H new ATOM 438 N ASP A 29 4.852 1.306 1.058 1.00 0.27 N ATOM 439 CA ASP A 29 4.723 0.059 0.244 1.00 0.28 C ATOM 440 C ASP A 29 4.341 0.391 -1.205 1.00 0.25 C ATOM 441 O ASP A 29 3.177 0.374 -1.579 1.00 0.26 O ATOM 442 CB ASP A 29 3.610 -0.744 0.927 1.00 0.32 C ATOM 443 CG ASP A 29 3.962 -2.232 0.919 1.00 0.45 C ATOM 444 OD1 ASP A 29 3.846 -2.844 -0.131 1.00 0.74 O ATOM 445 OD2 ASP A 29 4.334 -2.738 1.966 1.00 0.72 O ATOM 0 H ASP A 29 4.128 1.445 1.763 1.00 0.27 H new ATOM 0 HA ASP A 29 5.660 -0.496 0.195 1.00 0.28 H new ATOM 0 HB2 ASP A 29 3.477 -0.398 1.952 1.00 0.32 H new ATOM 0 HB3 ASP A 29 2.664 -0.582 0.411 1.00 0.32 H new ATOM 450 N ILE A 30 5.318 0.653 -2.040 1.00 0.25 N ATOM 451 CA ILE A 30 5.002 0.948 -3.466 1.00 0.24 C ATOM 452 C ILE A 30 4.444 -0.319 -4.113 1.00 0.26 C ATOM 453 O ILE A 30 3.610 -0.250 -4.989 1.00 0.27 O ATOM 454 CB ILE A 30 6.319 1.366 -4.131 1.00 0.27 C ATOM 455 CG1 ILE A 30 6.733 2.761 -3.640 1.00 0.24 C ATOM 456 CG2 ILE A 30 6.128 1.404 -5.651 1.00 0.33 C ATOM 457 CD1 ILE A 30 5.730 3.812 -4.128 1.00 0.24 C ATOM 0 H ILE A 30 6.308 0.675 -1.796 1.00 0.25 H new ATOM 0 HA ILE A 30 4.261 1.740 -3.571 1.00 0.24 H new ATOM 0 HB ILE A 30 7.096 0.647 -3.871 1.00 0.27 H new ATOM 0 HG12 ILE A 30 6.782 2.772 -2.551 1.00 0.24 H new ATOM 0 HG13 ILE A 30 7.731 3.002 -4.006 1.00 0.24 H new ATOM 0 HG21 ILE A 30 7.062 1.701 -6.128 1.00 0.33 H new ATOM 0 HG22 ILE A 30 5.838 0.415 -6.006 1.00 0.33 H new ATOM 0 HG23 ILE A 30 5.348 2.123 -5.902 1.00 0.33 H new ATOM 0 HD11 ILE A 30 6.034 4.797 -3.774 1.00 0.24 H new ATOM 0 HD12 ILE A 30 5.703 3.811 -5.218 1.00 0.24 H new ATOM 0 HD13 ILE A 30 4.739 3.577 -3.740 1.00 0.24 H new ATOM 469 N LEU A 31 4.886 -1.475 -3.661 1.00 0.29 N ATOM 470 CA LEU A 31 4.366 -2.759 -4.222 1.00 0.32 C ATOM 471 C LEU A 31 2.835 -2.740 -4.189 1.00 0.31 C ATOM 472 O LEU A 31 2.182 -3.153 -5.129 1.00 0.34 O ATOM 473 CB LEU A 31 4.947 -3.855 -3.307 1.00 0.37 C ATOM 474 CG LEU A 31 4.184 -5.183 -3.463 1.00 0.39 C ATOM 475 CD1 LEU A 31 2.848 -5.105 -2.715 1.00 0.41 C ATOM 476 CD2 LEU A 31 3.932 -5.480 -4.948 1.00 0.42 C ATOM 0 H LEU A 31 5.586 -1.579 -2.926 1.00 0.29 H new ATOM 0 HA LEU A 31 4.654 -2.927 -5.260 1.00 0.32 H new ATOM 0 HB2 LEU A 31 6.000 -4.009 -3.545 1.00 0.37 H new ATOM 0 HB3 LEU A 31 4.899 -3.527 -2.269 1.00 0.37 H new ATOM 0 HG LEU A 31 4.787 -5.987 -3.041 1.00 0.39 H new ATOM 0 HD11 LEU A 31 2.312 -6.047 -2.829 1.00 0.41 H new ATOM 0 HD12 LEU A 31 3.034 -4.918 -1.657 1.00 0.41 H new ATOM 0 HD13 LEU A 31 2.247 -4.294 -3.127 1.00 0.41 H new ATOM 0 HD21 LEU A 31 3.392 -6.422 -5.044 1.00 0.42 H new ATOM 0 HD22 LEU A 31 3.340 -4.676 -5.385 1.00 0.42 H new ATOM 0 HD23 LEU A 31 4.885 -5.554 -5.471 1.00 0.42 H new ATOM 488 N ALA A 32 2.263 -2.229 -3.124 1.00 0.29 N ATOM 489 CA ALA A 32 0.775 -2.137 -3.039 1.00 0.31 C ATOM 490 C ALA A 32 0.258 -1.385 -4.271 1.00 0.31 C ATOM 491 O ALA A 32 -0.769 -1.711 -4.833 1.00 0.37 O ATOM 492 CB ALA A 32 0.511 -1.329 -1.768 1.00 0.32 C ATOM 0 H ALA A 32 2.765 -1.872 -2.311 1.00 0.29 H new ATOM 0 HA ALA A 32 0.281 -3.108 -3.009 1.00 0.31 H new ATOM 0 HB1 ALA A 32 -0.564 -1.213 -1.627 1.00 0.32 H new ATOM 0 HB2 ALA A 32 0.935 -1.851 -0.910 1.00 0.32 H new ATOM 0 HB3 ALA A 32 0.974 -0.346 -1.859 1.00 0.32 H new ATOM 498 N VAL A 33 0.991 -0.381 -4.686 1.00 0.27 N ATOM 499 CA VAL A 33 0.596 0.423 -5.885 1.00 0.29 C ATOM 500 C VAL A 33 1.011 -0.275 -7.198 1.00 0.31 C ATOM 501 O VAL A 33 0.445 -0.014 -8.243 1.00 0.38 O ATOM 502 CB VAL A 33 1.348 1.747 -5.708 1.00 0.29 C ATOM 503 CG1 VAL A 33 1.471 2.477 -7.048 1.00 0.29 C ATOM 504 CG2 VAL A 33 0.582 2.631 -4.726 1.00 0.35 C ATOM 0 H VAL A 33 1.857 -0.081 -4.239 1.00 0.27 H new ATOM 0 HA VAL A 33 -0.484 0.556 -5.955 1.00 0.29 H new ATOM 0 HB VAL A 33 2.347 1.537 -5.327 1.00 0.29 H new ATOM 0 HG11 VAL A 33 2.007 3.415 -6.904 1.00 0.29 H new ATOM 0 HG12 VAL A 33 2.017 1.852 -7.754 1.00 0.29 H new ATOM 0 HG13 VAL A 33 0.476 2.685 -7.442 1.00 0.29 H new ATOM 0 HG21 VAL A 33 1.112 3.574 -4.596 1.00 0.35 H new ATOM 0 HG22 VAL A 33 -0.417 2.827 -5.116 1.00 0.35 H new ATOM 0 HG23 VAL A 33 0.503 2.123 -3.765 1.00 0.35 H new ATOM 514 N THR A 34 1.992 -1.141 -7.157 1.00 0.31 N ATOM 515 CA THR A 34 2.441 -1.830 -8.414 1.00 0.35 C ATOM 516 C THR A 34 1.546 -3.038 -8.727 1.00 0.38 C ATOM 517 O THR A 34 1.371 -3.399 -9.876 1.00 0.43 O ATOM 518 CB THR A 34 3.895 -2.276 -8.166 1.00 0.36 C ATOM 519 OG1 THR A 34 3.908 -3.523 -7.485 1.00 0.39 O ATOM 520 CG2 THR A 34 4.633 -1.234 -7.324 1.00 0.34 C ATOM 0 H THR A 34 2.502 -1.403 -6.313 1.00 0.31 H new ATOM 0 HA THR A 34 2.374 -1.162 -9.273 1.00 0.35 H new ATOM 0 HB THR A 34 4.396 -2.379 -9.129 1.00 0.36 H new ATOM 0 HG1 THR A 34 4.835 -3.802 -7.331 1.00 0.39 H new ATOM 0 HG21 THR A 34 5.659 -1.562 -7.156 1.00 0.34 H new ATOM 0 HG22 THR A 34 4.639 -0.279 -7.850 1.00 0.34 H new ATOM 0 HG23 THR A 34 4.128 -1.117 -6.365 1.00 0.34 H new ATOM 528 N GLY A 35 0.973 -3.660 -7.721 1.00 0.42 N ATOM 529 CA GLY A 35 0.084 -4.837 -7.968 1.00 0.46 C ATOM 530 C GLY A 35 -1.079 -4.414 -8.873 1.00 0.50 C ATOM 531 O GLY A 35 -1.496 -5.154 -9.744 1.00 0.59 O ATOM 0 H GLY A 35 1.084 -3.401 -6.741 1.00 0.42 H new ATOM 0 HA2 GLY A 35 0.650 -5.642 -8.436 1.00 0.46 H new ATOM 0 HA3 GLY A 35 -0.298 -5.223 -7.023 1.00 0.46 H new ATOM 535 N ASN A 36 -1.592 -3.222 -8.681 1.00 0.52 N ATOM 536 CA ASN A 36 -2.715 -2.734 -9.540 1.00 0.59 C ATOM 537 C ASN A 36 -2.215 -2.489 -10.972 1.00 0.58 C ATOM 538 O ASN A 36 -2.954 -2.654 -11.925 1.00 0.69 O ATOM 539 CB ASN A 36 -3.176 -1.424 -8.893 1.00 0.64 C ATOM 540 CG ASN A 36 -4.133 -1.734 -7.738 1.00 0.69 C ATOM 541 OD1 ASN A 36 -3.703 -2.115 -6.667 1.00 1.04 O ATOM 542 ND2 ASN A 36 -5.420 -1.587 -7.909 1.00 1.08 N ATOM 0 H ASN A 36 -1.280 -2.566 -7.965 1.00 0.52 H new ATOM 0 HA ASN A 36 -3.529 -3.456 -9.608 1.00 0.59 H new ATOM 0 HB2 ASN A 36 -2.315 -0.865 -8.526 1.00 0.64 H new ATOM 0 HB3 ASN A 36 -3.673 -0.796 -9.632 1.00 0.64 H new ATOM 0 HD21 ASN A 36 -6.063 -1.792 -7.144 1.00 1.08 H new ATOM 0 HD22 ASN A 36 -5.782 -1.267 -8.807 1.00 1.08 H new ATOM 549 N MET A 37 -0.960 -2.108 -11.122 1.00 0.51 N ATOM 550 CA MET A 37 -0.373 -1.855 -12.481 1.00 0.56 C ATOM 551 C MET A 37 -1.114 -0.717 -13.193 1.00 0.59 C ATOM 552 O MET A 37 -2.155 -0.915 -13.793 1.00 0.75 O ATOM 553 CB MET A 37 -0.524 -3.175 -13.250 1.00 0.67 C ATOM 554 CG MET A 37 0.854 -3.805 -13.464 1.00 0.93 C ATOM 555 SD MET A 37 0.700 -5.220 -14.584 1.00 1.52 S ATOM 556 CE MET A 37 1.312 -6.486 -13.446 1.00 2.21 C ATOM 0 H MET A 37 -0.312 -1.961 -10.348 1.00 0.51 H new ATOM 0 HA MET A 37 0.671 -1.548 -12.416 1.00 0.56 H new ATOM 0 HB2 MET A 37 -1.166 -3.859 -12.695 1.00 0.67 H new ATOM 0 HB3 MET A 37 -1.006 -2.995 -14.211 1.00 0.67 H new ATOM 0 HG2 MET A 37 1.542 -3.070 -13.882 1.00 0.93 H new ATOM 0 HG3 MET A 37 1.272 -4.126 -12.510 1.00 0.93 H new ATOM 0 HE1 MET A 37 1.302 -7.457 -13.942 1.00 2.21 H new ATOM 0 HE2 MET A 37 2.331 -6.243 -13.145 1.00 2.21 H new ATOM 0 HE3 MET A 37 0.672 -6.522 -12.564 1.00 2.21 H new ATOM 566 N ASP A 38 -0.579 0.476 -13.132 1.00 0.53 N ATOM 567 CA ASP A 38 -1.243 1.632 -13.802 1.00 0.58 C ATOM 568 C ASP A 38 -0.324 2.233 -14.870 1.00 0.57 C ATOM 569 O ASP A 38 0.887 2.150 -14.780 1.00 0.55 O ATOM 570 CB ASP A 38 -1.511 2.648 -12.685 1.00 0.56 C ATOM 571 CG ASP A 38 -2.507 2.062 -11.678 1.00 0.82 C ATOM 572 OD1 ASP A 38 -3.698 2.199 -11.903 1.00 1.20 O ATOM 573 OD2 ASP A 38 -2.060 1.487 -10.697 1.00 1.03 O ATOM 0 H ASP A 38 0.290 0.698 -12.646 1.00 0.53 H new ATOM 0 HA ASP A 38 -2.162 1.336 -14.309 1.00 0.58 H new ATOM 0 HB2 ASP A 38 -0.578 2.903 -12.182 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -1.908 3.571 -13.108 1.00 0.56 H new ATOM 578 N GLU A 39 -0.897 2.843 -15.880 1.00 0.66 N ATOM 579 CA GLU A 39 -0.065 3.464 -16.959 1.00 0.68 C ATOM 580 C GLU A 39 0.817 4.563 -16.363 1.00 0.59 C ATOM 581 O GLU A 39 1.995 4.651 -16.655 1.00 0.60 O ATOM 582 CB GLU A 39 -1.063 4.063 -17.953 1.00 0.79 C ATOM 583 CG GLU A 39 -1.454 3.005 -18.990 1.00 1.00 C ATOM 584 CD GLU A 39 -2.590 2.136 -18.439 1.00 1.20 C ATOM 585 OE1 GLU A 39 -3.733 2.552 -18.543 1.00 1.30 O ATOM 586 OE2 GLU A 39 -2.297 1.069 -17.924 1.00 1.41 O ATOM 0 H GLU A 39 -1.905 2.938 -16.004 1.00 0.66 H new ATOM 0 HA GLU A 39 0.593 2.740 -17.439 1.00 0.68 H new ATOM 0 HB2 GLU A 39 -1.950 4.415 -17.426 1.00 0.79 H new ATOM 0 HB3 GLU A 39 -0.623 4.928 -18.449 1.00 0.79 H new ATOM 0 HG2 GLU A 39 -1.769 3.488 -19.915 1.00 1.00 H new ATOM 0 HG3 GLU A 39 -0.592 2.383 -19.232 1.00 1.00 H new ATOM 593 N GLU A 40 0.253 5.393 -15.518 1.00 0.57 N ATOM 594 CA GLU A 40 1.054 6.481 -14.885 1.00 0.52 C ATOM 595 C GLU A 40 2.000 5.891 -13.829 1.00 0.44 C ATOM 596 O GLU A 40 3.055 6.434 -13.565 1.00 0.42 O ATOM 597 CB GLU A 40 0.028 7.410 -14.229 1.00 0.59 C ATOM 598 CG GLU A 40 0.572 8.843 -14.206 1.00 0.70 C ATOM 599 CD GLU A 40 1.306 9.099 -12.886 1.00 1.05 C ATOM 600 OE1 GLU A 40 0.640 9.195 -11.867 1.00 1.25 O ATOM 601 OE2 GLU A 40 2.522 9.197 -12.918 1.00 1.45 O ATOM 0 H GLU A 40 -0.728 5.361 -15.241 1.00 0.57 H new ATOM 0 HA GLU A 40 1.672 7.012 -15.609 1.00 0.52 H new ATOM 0 HB2 GLU A 40 -0.912 7.376 -14.779 1.00 0.59 H new ATOM 0 HB3 GLU A 40 -0.184 7.075 -13.214 1.00 0.59 H new ATOM 0 HG2 GLU A 40 1.250 8.998 -15.045 1.00 0.70 H new ATOM 0 HG3 GLU A 40 -0.246 9.554 -14.322 1.00 0.70 H new ATOM 608 N HIS A 41 1.630 4.779 -13.229 1.00 0.42 N ATOM 609 CA HIS A 41 2.505 4.146 -12.193 1.00 0.37 C ATOM 610 C HIS A 41 3.893 3.824 -12.775 1.00 0.34 C ATOM 611 O HIS A 41 4.880 3.860 -12.069 1.00 0.33 O ATOM 612 CB HIS A 41 1.775 2.861 -11.770 1.00 0.39 C ATOM 613 CG HIS A 41 2.702 2.000 -10.951 1.00 0.35 C ATOM 614 ND1 HIS A 41 3.254 2.439 -9.756 1.00 0.36 N ATOM 615 CD2 HIS A 41 3.197 0.736 -11.149 1.00 0.42 C ATOM 616 CE1 HIS A 41 4.044 1.456 -9.288 1.00 0.37 C ATOM 617 NE2 HIS A 41 4.046 0.395 -10.099 1.00 0.41 N ATOM 0 H HIS A 41 0.757 4.285 -13.415 1.00 0.42 H new ATOM 0 HA HIS A 41 2.673 4.810 -11.345 1.00 0.37 H new ATOM 0 HB2 HIS A 41 0.886 3.110 -11.190 1.00 0.39 H new ATOM 0 HB3 HIS A 41 1.438 2.315 -12.651 1.00 0.39 H new ATOM 0 HD1 HIS A 41 3.090 3.343 -9.313 1.00 0.36 H new ATOM 0 HD2 HIS A 41 2.964 0.102 -11.991 1.00 0.42 H new ATOM 0 HE1 HIS A 41 4.608 1.517 -8.369 1.00 0.37 H new ATOM 625 N ARG A 42 3.977 3.515 -14.051 1.00 0.42 N ATOM 626 CA ARG A 42 5.311 3.205 -14.661 1.00 0.44 C ATOM 627 C ARG A 42 6.255 4.401 -14.480 1.00 0.36 C ATOM 628 O ARG A 42 7.320 4.276 -13.907 1.00 0.36 O ATOM 629 CB ARG A 42 5.033 2.947 -16.146 1.00 0.57 C ATOM 630 CG ARG A 42 4.703 1.467 -16.353 1.00 0.71 C ATOM 631 CD ARG A 42 3.468 1.337 -17.247 1.00 0.77 C ATOM 632 NE ARG A 42 3.061 -0.092 -17.131 1.00 0.84 N ATOM 633 CZ ARG A 42 1.883 -0.403 -16.660 1.00 1.02 C ATOM 634 NH1 ARG A 42 0.849 -0.431 -17.457 1.00 1.33 N ATOM 635 NH2 ARG A 42 1.742 -0.691 -15.393 1.00 1.27 N ATOM 0 H ARG A 42 3.185 3.465 -14.691 1.00 0.42 H new ATOM 0 HA ARG A 42 5.791 2.345 -14.194 1.00 0.44 H new ATOM 0 HB2 ARG A 42 4.203 3.567 -16.485 1.00 0.57 H new ATOM 0 HB3 ARG A 42 5.902 3.224 -16.743 1.00 0.57 H new ATOM 0 HG2 ARG A 42 5.550 0.955 -16.809 1.00 0.71 H new ATOM 0 HG3 ARG A 42 4.521 0.987 -15.392 1.00 0.71 H new ATOM 0 HD2 ARG A 42 2.670 2.003 -16.918 1.00 0.77 H new ATOM 0 HD3 ARG A 42 3.698 1.600 -18.280 1.00 0.77 H new ATOM 0 HE ARG A 42 3.704 -0.829 -17.420 1.00 0.84 H new ATOM 0 HH11 ARG A 42 0.962 -0.210 -18.446 1.00 1.33 H new ATOM 0 HH12 ARG A 42 -0.071 -0.674 -17.090 1.00 1.33 H new ATOM 0 HH21 ARG A 42 2.552 -0.673 -14.773 1.00 1.27 H new ATOM 0 HH22 ARG A 42 0.822 -0.934 -15.024 1.00 1.27 H new ATOM 649 N THR A 43 5.857 5.563 -14.940 1.00 0.37 N ATOM 650 CA THR A 43 6.716 6.779 -14.769 1.00 0.35 C ATOM 651 C THR A 43 6.758 7.154 -13.280 1.00 0.31 C ATOM 652 O THR A 43 7.794 7.530 -12.751 1.00 0.33 O ATOM 653 CB THR A 43 6.034 7.871 -15.614 1.00 0.48 C ATOM 654 OG1 THR A 43 6.606 7.878 -16.913 1.00 1.27 O ATOM 655 CG2 THR A 43 6.218 9.253 -14.978 1.00 0.73 C ATOM 0 H THR A 43 4.975 5.723 -15.426 1.00 0.37 H new ATOM 0 HA THR A 43 7.747 6.631 -15.089 1.00 0.35 H new ATOM 0 HB THR A 43 4.967 7.653 -15.668 1.00 0.48 H new ATOM 0 HG1 THR A 43 6.175 8.570 -17.457 1.00 1.27 H new ATOM 0 HG21 THR A 43 5.727 10.006 -15.595 1.00 0.73 H new ATOM 0 HG22 THR A 43 5.777 9.256 -13.981 1.00 0.73 H new ATOM 0 HG23 THR A 43 7.281 9.481 -14.905 1.00 0.73 H new ATOM 663 N TRP A 44 5.639 7.038 -12.601 1.00 0.28 N ATOM 664 CA TRP A 44 5.596 7.367 -11.146 1.00 0.27 C ATOM 665 C TRP A 44 6.630 6.526 -10.387 1.00 0.25 C ATOM 666 O TRP A 44 7.375 7.044 -9.580 1.00 0.31 O ATOM 667 CB TRP A 44 4.164 7.031 -10.697 1.00 0.30 C ATOM 668 CG TRP A 44 4.130 6.771 -9.220 1.00 0.30 C ATOM 669 CD1 TRP A 44 4.366 5.571 -8.644 1.00 0.36 C ATOM 670 CD2 TRP A 44 3.854 7.700 -8.131 1.00 0.30 C ATOM 671 NE1 TRP A 44 4.253 5.702 -7.272 1.00 0.38 N ATOM 672 CE2 TRP A 44 3.938 6.995 -6.907 1.00 0.34 C ATOM 673 CE3 TRP A 44 3.541 9.071 -8.086 1.00 0.34 C ATOM 674 CZ2 TRP A 44 3.720 7.626 -5.683 1.00 0.39 C ATOM 675 CZ3 TRP A 44 3.322 9.710 -6.853 1.00 0.41 C ATOM 676 CH2 TRP A 44 3.411 8.988 -5.655 1.00 0.42 C ATOM 0 H TRP A 44 4.752 6.728 -12.998 1.00 0.28 H new ATOM 0 HA TRP A 44 5.837 8.411 -10.947 1.00 0.27 H new ATOM 0 HB2 TRP A 44 3.495 7.856 -10.944 1.00 0.30 H new ATOM 0 HB3 TRP A 44 3.802 6.155 -11.236 1.00 0.30 H new ATOM 0 HD1 TRP A 44 4.604 4.658 -9.170 1.00 0.36 H new ATOM 0 HE1 TRP A 44 4.386 4.937 -6.611 1.00 0.38 H new ATOM 0 HE3 TRP A 44 3.469 9.636 -9.004 1.00 0.34 H new ATOM 0 HZ2 TRP A 44 3.790 7.065 -4.763 1.00 0.39 H new ATOM 0 HZ3 TRP A 44 3.084 10.763 -6.829 1.00 0.41 H new ATOM 0 HH2 TRP A 44 3.241 9.484 -4.711 1.00 0.42 H new ATOM 687 N PHE A 45 6.687 5.234 -10.638 1.00 0.24 N ATOM 688 CA PHE A 45 7.682 4.390 -9.912 1.00 0.24 C ATOM 689 C PHE A 45 9.107 4.709 -10.364 1.00 0.23 C ATOM 690 O PHE A 45 10.036 4.438 -9.653 1.00 0.25 O ATOM 691 CB PHE A 45 7.342 2.925 -10.210 1.00 0.27 C ATOM 692 CG PHE A 45 7.826 2.042 -9.064 1.00 0.26 C ATOM 693 CD1 PHE A 45 8.568 2.588 -7.998 1.00 0.26 C ATOM 694 CD2 PHE A 45 7.521 0.676 -9.061 1.00 0.31 C ATOM 695 CE1 PHE A 45 8.993 1.772 -6.945 1.00 0.29 C ATOM 696 CE2 PHE A 45 7.951 -0.139 -8.006 1.00 0.34 C ATOM 697 CZ PHE A 45 8.685 0.410 -6.948 1.00 0.32 C ATOM 0 H PHE A 45 6.095 4.739 -11.305 1.00 0.24 H new ATOM 0 HA PHE A 45 7.634 4.589 -8.841 1.00 0.24 H new ATOM 0 HB2 PHE A 45 6.266 2.811 -10.341 1.00 0.27 H new ATOM 0 HB3 PHE A 45 7.811 2.615 -11.144 1.00 0.27 H new ATOM 0 HD1 PHE A 45 8.809 3.641 -7.994 1.00 0.26 H new ATOM 0 HD2 PHE A 45 6.953 0.249 -9.874 1.00 0.31 H new ATOM 0 HE1 PHE A 45 9.560 2.195 -6.129 1.00 0.29 H new ATOM 0 HE2 PHE A 45 7.716 -1.193 -8.009 1.00 0.34 H new ATOM 0 HZ PHE A 45 9.013 -0.220 -6.134 1.00 0.32 H new ATOM 707 N CYS A 46 9.302 5.293 -11.520 1.00 0.27 N ATOM 708 CA CYS A 46 10.702 5.626 -11.935 1.00 0.29 C ATOM 709 C CYS A 46 11.328 6.516 -10.850 1.00 0.27 C ATOM 710 O CYS A 46 12.355 6.190 -10.267 1.00 0.28 O ATOM 711 CB CYS A 46 10.571 6.380 -13.263 1.00 0.33 C ATOM 712 SG CYS A 46 12.172 6.400 -14.106 1.00 0.75 S ATOM 0 H CYS A 46 8.571 5.550 -12.183 1.00 0.27 H new ATOM 0 HA CYS A 46 11.336 4.748 -12.056 1.00 0.29 H new ATOM 0 HB2 CYS A 46 9.822 5.900 -13.893 1.00 0.33 H new ATOM 0 HB3 CYS A 46 10.230 7.400 -13.083 1.00 0.33 H new ATOM 0 HG CYS A 46 12.061 7.037 -15.234 1.00 0.75 H new ATOM 718 N ALA A 47 10.680 7.618 -10.550 1.00 0.28 N ATOM 719 CA ALA A 47 11.192 8.530 -9.479 1.00 0.29 C ATOM 720 C ALA A 47 10.920 7.926 -8.089 1.00 0.25 C ATOM 721 O ALA A 47 11.598 8.243 -7.129 1.00 0.28 O ATOM 722 CB ALA A 47 10.414 9.836 -9.658 1.00 0.34 C ATOM 0 H ALA A 47 9.818 7.924 -11.002 1.00 0.28 H new ATOM 0 HA ALA A 47 12.268 8.685 -9.553 1.00 0.29 H new ATOM 0 HB1 ALA A 47 10.735 10.557 -8.906 1.00 0.34 H new ATOM 0 HB2 ALA A 47 10.605 10.240 -10.652 1.00 0.34 H new ATOM 0 HB3 ALA A 47 9.347 9.643 -9.543 1.00 0.34 H new ATOM 728 N ARG A 48 9.941 7.053 -7.978 1.00 0.24 N ATOM 729 CA ARG A 48 9.633 6.422 -6.654 1.00 0.22 C ATOM 730 C ARG A 48 10.472 5.148 -6.457 1.00 0.22 C ATOM 731 O ARG A 48 10.538 4.603 -5.372 1.00 0.27 O ATOM 732 CB ARG A 48 8.142 6.076 -6.706 1.00 0.23 C ATOM 733 CG ARG A 48 7.328 7.191 -6.040 1.00 0.29 C ATOM 734 CD ARG A 48 7.242 8.402 -6.974 1.00 0.34 C ATOM 735 NE ARG A 48 7.685 9.558 -6.148 1.00 0.50 N ATOM 736 CZ ARG A 48 6.805 10.278 -5.507 1.00 0.64 C ATOM 737 NH1 ARG A 48 6.363 9.883 -4.342 1.00 0.94 N ATOM 738 NH2 ARG A 48 6.367 11.392 -6.030 1.00 0.95 N ATOM 0 H ARG A 48 9.344 6.752 -8.748 1.00 0.24 H new ATOM 0 HA ARG A 48 9.867 7.088 -5.824 1.00 0.22 H new ATOM 0 HB2 ARG A 48 7.824 5.950 -7.741 1.00 0.23 H new ATOM 0 HB3 ARG A 48 7.961 5.128 -6.199 1.00 0.23 H new ATOM 0 HG2 ARG A 48 6.327 6.831 -5.804 1.00 0.29 H new ATOM 0 HG3 ARG A 48 7.793 7.480 -5.098 1.00 0.29 H new ATOM 0 HD2 ARG A 48 7.881 8.273 -7.847 1.00 0.34 H new ATOM 0 HD3 ARG A 48 6.226 8.546 -7.341 1.00 0.34 H new ATOM 0 HE ARG A 48 8.677 9.788 -6.083 1.00 0.50 H new ATOM 0 HH11 ARG A 48 6.706 9.013 -3.935 1.00 0.94 H new ATOM 0 HH12 ARG A 48 5.675 10.445 -3.840 1.00 0.94 H new ATOM 0 HH21 ARG A 48 6.713 11.699 -6.939 1.00 0.95 H new ATOM 0 HH22 ARG A 48 5.679 11.955 -5.529 1.00 0.95 H new ATOM 752 N TYR A 49 11.120 4.682 -7.494 1.00 0.21 N ATOM 753 CA TYR A 49 11.970 3.461 -7.384 1.00 0.24 C ATOM 754 C TYR A 49 13.218 3.827 -6.607 1.00 0.25 C ATOM 755 O TYR A 49 13.548 3.231 -5.601 1.00 0.29 O ATOM 756 CB TYR A 49 12.361 3.113 -8.824 1.00 0.26 C ATOM 757 CG TYR A 49 11.657 1.857 -9.286 1.00 0.29 C ATOM 758 CD1 TYR A 49 11.729 0.688 -8.517 1.00 0.33 C ATOM 759 CD2 TYR A 49 10.946 1.856 -10.494 1.00 0.33 C ATOM 760 CE1 TYR A 49 11.092 -0.479 -8.955 1.00 0.38 C ATOM 761 CE2 TYR A 49 10.306 0.690 -10.929 1.00 0.37 C ATOM 762 CZ TYR A 49 10.380 -0.478 -10.160 1.00 0.38 C ATOM 763 OH TYR A 49 9.752 -1.628 -10.591 1.00 0.44 O ATOM 0 H TYR A 49 11.095 5.102 -8.423 1.00 0.21 H new ATOM 0 HA TYR A 49 11.464 2.633 -6.887 1.00 0.24 H new ATOM 0 HB2 TYR A 49 12.106 3.942 -9.485 1.00 0.26 H new ATOM 0 HB3 TYR A 49 13.440 2.974 -8.889 1.00 0.26 H new ATOM 0 HD1 TYR A 49 12.276 0.687 -7.586 1.00 0.33 H new ATOM 0 HD2 TYR A 49 10.892 2.755 -11.089 1.00 0.33 H new ATOM 0 HE1 TYR A 49 11.150 -1.380 -8.363 1.00 0.38 H new ATOM 0 HE2 TYR A 49 9.755 0.691 -11.858 1.00 0.37 H new ATOM 0 HH TYR A 49 9.302 -1.455 -11.444 1.00 0.44 H new ATOM 773 N ALA A 50 13.898 4.832 -7.086 1.00 0.24 N ATOM 774 CA ALA A 50 15.135 5.308 -6.414 1.00 0.26 C ATOM 775 C ALA A 50 14.795 5.889 -5.044 1.00 0.26 C ATOM 776 O ALA A 50 15.439 5.593 -4.057 1.00 0.30 O ATOM 777 CB ALA A 50 15.639 6.399 -7.332 1.00 0.28 C ATOM 0 H ALA A 50 13.643 5.350 -7.927 1.00 0.24 H new ATOM 0 HA ALA A 50 15.866 4.516 -6.250 1.00 0.26 H new ATOM 0 HB1 ALA A 50 16.558 6.822 -6.925 1.00 0.28 H new ATOM 0 HB2 ALA A 50 15.838 5.981 -8.319 1.00 0.28 H new ATOM 0 HB3 ALA A 50 14.885 7.182 -7.415 1.00 0.28 H new ATOM 783 N TRP A 51 13.776 6.711 -4.987 1.00 0.24 N ATOM 784 CA TRP A 51 13.366 7.314 -3.688 1.00 0.24 C ATOM 785 C TRP A 51 13.121 6.199 -2.673 1.00 0.24 C ATOM 786 O TRP A 51 13.726 6.173 -1.624 1.00 0.28 O ATOM 787 CB TRP A 51 12.076 8.083 -4.005 1.00 0.25 C ATOM 788 CG TRP A 51 11.178 8.128 -2.798 1.00 0.24 C ATOM 789 CD1 TRP A 51 11.410 8.837 -1.668 1.00 0.29 C ATOM 790 CD2 TRP A 51 9.915 7.432 -2.590 1.00 0.22 C ATOM 791 NE1 TRP A 51 10.367 8.618 -0.781 1.00 0.28 N ATOM 792 CE2 TRP A 51 9.418 7.760 -1.308 1.00 0.23 C ATOM 793 CE3 TRP A 51 9.162 6.558 -3.386 1.00 0.24 C ATOM 794 CZ2 TRP A 51 8.210 7.234 -0.838 1.00 0.23 C ATOM 795 CZ3 TRP A 51 7.951 6.029 -2.919 1.00 0.26 C ATOM 796 CH2 TRP A 51 7.476 6.367 -1.649 1.00 0.24 C ATOM 0 H TRP A 51 13.211 6.989 -5.789 1.00 0.24 H new ATOM 0 HA TRP A 51 14.120 7.973 -3.258 1.00 0.24 H new ATOM 0 HB2 TRP A 51 12.319 9.097 -4.323 1.00 0.25 H new ATOM 0 HB3 TRP A 51 11.556 7.605 -4.835 1.00 0.25 H new ATOM 0 HD1 TRP A 51 12.267 9.469 -1.487 1.00 0.29 H new ATOM 0 HE1 TRP A 51 10.307 9.038 0.147 1.00 0.28 H new ATOM 0 HE3 TRP A 51 9.519 6.289 -4.369 1.00 0.24 H new ATOM 0 HZ2 TRP A 51 7.848 7.497 0.145 1.00 0.23 H new ATOM 0 HZ3 TRP A 51 7.382 5.357 -3.544 1.00 0.26 H new ATOM 0 HH2 TRP A 51 6.541 5.958 -1.295 1.00 0.24 H new ATOM 807 N TYR A 52 12.253 5.272 -2.991 1.00 0.23 N ATOM 808 CA TYR A 52 11.979 4.145 -2.052 1.00 0.24 C ATOM 809 C TYR A 52 13.262 3.350 -1.789 1.00 0.27 C ATOM 810 O TYR A 52 13.491 2.877 -0.696 1.00 0.33 O ATOM 811 CB TYR A 52 10.944 3.267 -2.759 1.00 0.27 C ATOM 812 CG TYR A 52 10.680 2.039 -1.918 1.00 0.27 C ATOM 813 CD1 TYR A 52 9.779 2.106 -0.849 1.00 0.30 C ATOM 814 CD2 TYR A 52 11.351 0.841 -2.196 1.00 0.44 C ATOM 815 CE1 TYR A 52 9.543 0.976 -0.060 1.00 0.34 C ATOM 816 CE2 TYR A 52 11.113 -0.291 -1.408 1.00 0.47 C ATOM 817 CZ TYR A 52 10.210 -0.225 -0.340 1.00 0.36 C ATOM 818 OH TYR A 52 9.980 -1.343 0.438 1.00 0.44 O ATOM 0 H TYR A 52 11.722 5.248 -3.862 1.00 0.23 H new ATOM 0 HA TYR A 52 11.617 4.499 -1.087 1.00 0.24 H new ATOM 0 HB2 TYR A 52 10.020 3.824 -2.912 1.00 0.27 H new ATOM 0 HB3 TYR A 52 11.308 2.977 -3.745 1.00 0.27 H new ATOM 0 HD1 TYR A 52 9.266 3.031 -0.633 1.00 0.30 H new ATOM 0 HD2 TYR A 52 12.051 0.791 -3.017 1.00 0.44 H new ATOM 0 HE1 TYR A 52 8.847 1.028 0.765 1.00 0.34 H new ATOM 0 HE2 TYR A 52 11.626 -1.216 -1.624 1.00 0.47 H new ATOM 0 HH TYR A 52 10.522 -2.089 0.107 1.00 0.44 H new ATOM 828 N CYS A 53 14.092 3.192 -2.788 1.00 0.28 N ATOM 829 CA CYS A 53 15.356 2.417 -2.607 1.00 0.32 C ATOM 830 C CYS A 53 16.244 3.045 -1.521 1.00 0.32 C ATOM 831 O CYS A 53 16.741 2.353 -0.655 1.00 0.37 O ATOM 832 CB CYS A 53 16.041 2.462 -3.976 1.00 0.35 C ATOM 833 SG CYS A 53 17.679 1.698 -3.866 1.00 0.47 S ATOM 0 H CYS A 53 13.948 3.568 -3.725 1.00 0.28 H new ATOM 0 HA CYS A 53 15.165 1.396 -2.278 1.00 0.32 H new ATOM 0 HB2 CYS A 53 15.434 1.938 -4.714 1.00 0.35 H new ATOM 0 HB3 CYS A 53 16.133 3.494 -4.313 1.00 0.35 H new ATOM 0 HG CYS A 53 18.255 1.737 -5.031 1.00 0.47 H new ATOM 839 N GLN A 54 16.459 4.338 -1.562 1.00 0.31 N ATOM 840 CA GLN A 54 17.338 4.980 -0.525 1.00 0.33 C ATOM 841 C GLN A 54 16.602 5.190 0.816 1.00 0.31 C ATOM 842 O GLN A 54 17.195 5.044 1.872 1.00 0.35 O ATOM 843 CB GLN A 54 17.779 6.317 -1.139 1.00 0.34 C ATOM 844 CG GLN A 54 16.603 7.300 -1.207 1.00 0.31 C ATOM 845 CD GLN A 54 16.580 8.177 0.052 1.00 0.36 C ATOM 846 OE1 GLN A 54 15.530 8.428 0.609 1.00 0.41 O ATOM 847 NE2 GLN A 54 17.697 8.663 0.525 1.00 0.44 N ATOM 0 H GLN A 54 16.070 4.973 -2.259 1.00 0.31 H new ATOM 0 HA GLN A 54 18.189 4.343 -0.282 1.00 0.33 H new ATOM 0 HB2 GLN A 54 18.585 6.747 -0.544 1.00 0.34 H new ATOM 0 HB3 GLN A 54 18.177 6.149 -2.140 1.00 0.34 H new ATOM 0 HG2 GLN A 54 16.692 7.926 -2.095 1.00 0.31 H new ATOM 0 HG3 GLN A 54 15.665 6.752 -1.296 1.00 0.31 H new ATOM 0 HE21 GLN A 54 18.581 8.455 0.061 1.00 0.44 H new ATOM 0 HE22 GLN A 54 17.685 9.251 1.359 1.00 0.44 H new ATOM 856 N GLN A 55 15.334 5.533 0.797 1.00 0.29 N ATOM 857 CA GLN A 55 14.605 5.756 2.093 1.00 0.29 C ATOM 858 C GLN A 55 14.344 4.426 2.818 1.00 0.29 C ATOM 859 O GLN A 55 14.403 4.367 4.031 1.00 0.33 O ATOM 860 CB GLN A 55 13.286 6.471 1.745 1.00 0.29 C ATOM 861 CG GLN A 55 12.511 5.695 0.679 1.00 0.27 C ATOM 862 CD GLN A 55 11.327 4.967 1.314 1.00 0.28 C ATOM 863 OE1 GLN A 55 11.451 4.379 2.369 1.00 0.46 O ATOM 864 NE2 GLN A 55 10.172 4.979 0.708 1.00 0.31 N ATOM 0 H GLN A 55 14.777 5.667 -0.047 1.00 0.29 H new ATOM 0 HA GLN A 55 15.203 6.363 2.773 1.00 0.29 H new ATOM 0 HB2 GLN A 55 12.675 6.574 2.642 1.00 0.29 H new ATOM 0 HB3 GLN A 55 13.497 7.478 1.386 1.00 0.29 H new ATOM 0 HG2 GLN A 55 12.156 6.378 -0.093 1.00 0.27 H new ATOM 0 HG3 GLN A 55 13.170 4.977 0.191 1.00 0.27 H new ATOM 0 HE21 GLN A 55 10.066 5.473 -0.178 1.00 0.31 H new ATOM 0 HE22 GLN A 55 9.375 4.495 1.121 1.00 0.31 H new ATOM 873 N MET A 56 14.073 3.358 2.100 1.00 0.29 N ATOM 874 CA MET A 56 13.831 2.048 2.786 1.00 0.30 C ATOM 875 C MET A 56 15.157 1.476 3.297 1.00 0.29 C ATOM 876 O MET A 56 15.191 0.775 4.287 1.00 0.31 O ATOM 877 CB MET A 56 13.212 1.123 1.750 1.00 0.34 C ATOM 878 CG MET A 56 11.924 0.530 2.324 1.00 0.41 C ATOM 879 SD MET A 56 12.301 -1.006 3.202 1.00 0.62 S ATOM 880 CE MET A 56 10.850 -1.009 4.283 1.00 0.88 C ATOM 0 H MET A 56 14.010 3.337 1.082 1.00 0.29 H new ATOM 0 HA MET A 56 13.170 2.163 3.645 1.00 0.30 H new ATOM 0 HB2 MET A 56 12.998 1.673 0.833 1.00 0.34 H new ATOM 0 HB3 MET A 56 13.910 0.328 1.489 1.00 0.34 H new ATOM 0 HG2 MET A 56 11.455 1.242 3.002 1.00 0.41 H new ATOM 0 HG3 MET A 56 11.212 0.337 1.522 1.00 0.41 H new ATOM 0 HE1 MET A 56 10.859 -1.907 4.901 1.00 0.88 H new ATOM 0 HE2 MET A 56 10.872 -0.127 4.923 1.00 0.88 H new ATOM 0 HE3 MET A 56 9.944 -0.995 3.677 1.00 0.88 H new ATOM 890 N MET A 57 16.254 1.790 2.644 1.00 0.31 N ATOM 891 CA MET A 57 17.579 1.287 3.123 1.00 0.32 C ATOM 892 C MET A 57 17.856 1.873 4.511 1.00 0.31 C ATOM 893 O MET A 57 18.476 1.247 5.350 1.00 0.35 O ATOM 894 CB MET A 57 18.609 1.801 2.111 1.00 0.36 C ATOM 895 CG MET A 57 18.639 0.877 0.891 1.00 0.37 C ATOM 896 SD MET A 57 19.792 -0.489 1.193 1.00 0.61 S ATOM 897 CE MET A 57 20.994 -0.076 -0.097 1.00 1.59 C ATOM 0 H MET A 57 16.287 2.370 1.805 1.00 0.31 H new ATOM 0 HA MET A 57 17.613 0.200 3.200 1.00 0.32 H new ATOM 0 HB2 MET A 57 18.357 2.816 1.804 1.00 0.36 H new ATOM 0 HB3 MET A 57 19.596 1.843 2.572 1.00 0.36 H new ATOM 0 HG2 MET A 57 17.641 0.487 0.693 1.00 0.37 H new ATOM 0 HG3 MET A 57 18.944 1.436 0.006 1.00 0.37 H new ATOM 0 HE1 MET A 57 21.804 -0.805 -0.086 1.00 1.59 H new ATOM 0 HE2 MET A 57 20.503 -0.093 -1.070 1.00 1.59 H new ATOM 0 HE3 MET A 57 21.399 0.919 0.088 1.00 1.59 H new ATOM 907 N GLN A 58 17.377 3.073 4.756 1.00 0.30 N ATOM 908 CA GLN A 58 17.580 3.715 6.092 1.00 0.32 C ATOM 909 C GLN A 58 16.355 3.476 6.994 1.00 0.32 C ATOM 910 O GLN A 58 16.413 3.682 8.192 1.00 0.40 O ATOM 911 CB GLN A 58 17.750 5.207 5.800 1.00 0.36 C ATOM 912 CG GLN A 58 19.152 5.656 6.221 1.00 0.82 C ATOM 913 CD GLN A 58 19.340 7.130 5.863 1.00 1.30 C ATOM 914 OE1 GLN A 58 19.190 7.993 6.704 1.00 1.83 O ATOM 915 NE2 GLN A 58 19.664 7.455 4.638 1.00 1.97 N ATOM 0 H GLN A 58 16.853 3.634 4.084 1.00 0.30 H new ATOM 0 HA GLN A 58 18.443 3.304 6.616 1.00 0.32 H new ATOM 0 HB2 GLN A 58 17.599 5.400 4.738 1.00 0.36 H new ATOM 0 HB3 GLN A 58 16.996 5.781 6.338 1.00 0.36 H new ATOM 0 HG2 GLN A 58 19.286 5.510 7.293 1.00 0.82 H new ATOM 0 HG3 GLN A 58 19.906 5.049 5.720 1.00 0.82 H new ATOM 0 HE21 GLN A 58 19.789 6.728 3.934 1.00 1.97 H new ATOM 0 HE22 GLN A 58 19.791 8.435 4.387 1.00 1.97 H new ATOM 924 N ALA A 59 15.254 3.028 6.431 1.00 0.29 N ATOM 925 CA ALA A 59 14.034 2.757 7.248 1.00 0.32 C ATOM 926 C ALA A 59 14.032 1.285 7.661 1.00 0.31 C ATOM 927 O ALA A 59 13.846 0.963 8.819 1.00 0.36 O ATOM 928 CB ALA A 59 12.848 3.059 6.325 1.00 0.36 C ATOM 0 H ALA A 59 15.152 2.839 5.434 1.00 0.29 H new ATOM 0 HA ALA A 59 13.991 3.360 8.155 1.00 0.32 H new ATOM 0 HB1 ALA A 59 11.916 2.881 6.861 1.00 0.36 H new ATOM 0 HB2 ALA A 59 12.891 4.101 6.007 1.00 0.36 H new ATOM 0 HB3 ALA A 59 12.893 2.410 5.450 1.00 0.36 H new ATOM 934 N ARG A 60 14.254 0.398 6.708 1.00 0.34 N ATOM 935 CA ARG A 60 14.299 -1.077 6.983 1.00 0.41 C ATOM 936 C ARG A 60 12.890 -1.641 7.252 1.00 0.46 C ATOM 937 O ARG A 60 12.520 -2.664 6.706 1.00 0.58 O ATOM 938 CB ARG A 60 15.256 -1.234 8.180 1.00 0.42 C ATOM 939 CG ARG A 60 14.560 -1.909 9.363 1.00 0.51 C ATOM 940 CD ARG A 60 15.578 -2.133 10.481 1.00 0.69 C ATOM 941 NE ARG A 60 15.500 -3.588 10.777 1.00 1.51 N ATOM 942 CZ ARG A 60 14.750 -4.008 11.756 1.00 2.28 C ATOM 943 NH1 ARG A 60 13.479 -4.229 11.553 1.00 2.94 N ATOM 944 NH2 ARG A 60 15.274 -4.192 12.939 1.00 2.66 N ATOM 0 H ARG A 60 14.409 0.645 5.731 1.00 0.34 H new ATOM 0 HA ARG A 60 14.658 -1.650 6.128 1.00 0.41 H new ATOM 0 HB2 ARG A 60 16.123 -1.823 7.881 1.00 0.42 H new ATOM 0 HB3 ARG A 60 15.626 -0.255 8.483 1.00 0.42 H new ATOM 0 HG2 ARG A 60 13.739 -1.287 9.721 1.00 0.51 H new ATOM 0 HG3 ARG A 60 14.128 -2.860 9.052 1.00 0.51 H new ATOM 0 HD2 ARG A 60 16.581 -1.846 10.166 1.00 0.69 H new ATOM 0 HD3 ARG A 60 15.337 -1.536 11.361 1.00 0.69 H new ATOM 0 HE ARG A 60 16.031 -4.254 10.216 1.00 1.51 H new ATOM 0 HH11 ARG A 60 13.075 -4.073 10.629 1.00 2.94 H new ATOM 0 HH12 ARG A 60 12.890 -4.558 12.318 1.00 2.94 H new ATOM 0 HH21 ARG A 60 16.265 -4.007 13.092 1.00 2.66 H new ATOM 0 HH22 ARG A 60 14.692 -4.521 13.709 1.00 2.66 H new ATOM 958 N GLU A 61 12.099 -0.986 8.068 1.00 0.46 N ATOM 959 CA GLU A 61 10.719 -1.484 8.343 1.00 0.58 C ATOM 960 C GLU A 61 9.814 -0.312 8.744 1.00 0.45 C ATOM 961 O GLU A 61 9.086 0.209 7.923 1.00 0.41 O ATOM 962 CB GLU A 61 10.866 -2.494 9.489 1.00 0.76 C ATOM 963 CG GLU A 61 10.153 -3.798 9.118 1.00 1.04 C ATOM 964 CD GLU A 61 8.638 -3.574 9.117 1.00 1.24 C ATOM 965 OE1 GLU A 61 8.045 -3.664 10.179 1.00 1.41 O ATOM 966 OE2 GLU A 61 8.097 -3.313 8.055 1.00 1.47 O ATOM 0 H GLU A 61 12.353 -0.126 8.555 1.00 0.46 H new ATOM 0 HA GLU A 61 10.263 -1.950 7.470 1.00 0.58 H new ATOM 0 HB2 GLU A 61 11.921 -2.687 9.684 1.00 0.76 H new ATOM 0 HB3 GLU A 61 10.442 -2.084 10.406 1.00 0.76 H new ATOM 0 HG2 GLU A 61 10.481 -4.137 8.135 1.00 1.04 H new ATOM 0 HG3 GLU A 61 10.414 -4.582 9.829 1.00 1.04 H new ATOM 973 N LEU A 62 9.872 0.113 9.993 1.00 0.46 N ATOM 974 CA LEU A 62 9.033 1.261 10.475 1.00 0.42 C ATOM 975 C LEU A 62 7.528 0.964 10.319 1.00 0.43 C ATOM 976 O LEU A 62 6.847 0.692 11.290 1.00 0.53 O ATOM 977 CB LEU A 62 9.461 2.459 9.617 1.00 0.36 C ATOM 978 CG LEU A 62 9.240 3.762 10.393 1.00 0.50 C ATOM 979 CD1 LEU A 62 10.366 4.746 10.065 1.00 0.63 C ATOM 980 CD2 LEU A 62 7.895 4.377 9.992 1.00 0.64 C ATOM 0 H LEU A 62 10.476 -0.296 10.706 1.00 0.46 H new ATOM 0 HA LEU A 62 9.183 1.452 11.538 1.00 0.42 H new ATOM 0 HB2 LEU A 62 10.511 2.363 9.341 1.00 0.36 H new ATOM 0 HB3 LEU A 62 8.888 2.476 8.690 1.00 0.36 H new ATOM 0 HG LEU A 62 9.238 3.551 11.462 1.00 0.50 H new ATOM 0 HD11 LEU A 62 10.211 5.674 10.616 1.00 0.63 H new ATOM 0 HD12 LEU A 62 11.324 4.311 10.350 1.00 0.63 H new ATOM 0 HD13 LEU A 62 10.366 4.955 8.995 1.00 0.63 H new ATOM 0 HD21 LEU A 62 7.739 5.303 10.545 1.00 0.64 H new ATOM 0 HD22 LEU A 62 7.896 4.588 8.923 1.00 0.64 H new ATOM 0 HD23 LEU A 62 7.092 3.677 10.223 1.00 0.64 H new ATOM 992 N GLU A 63 7.005 1.018 9.114 1.00 0.38 N ATOM 993 CA GLU A 63 5.548 0.745 8.903 1.00 0.40 C ATOM 994 C GLU A 63 5.328 -0.066 7.615 1.00 0.38 C ATOM 995 O GLU A 63 6.107 0.009 6.682 1.00 0.48 O ATOM 996 CB GLU A 63 4.896 2.130 8.785 1.00 0.44 C ATOM 997 CG GLU A 63 5.498 2.891 7.595 1.00 0.54 C ATOM 998 CD GLU A 63 4.781 4.232 7.422 1.00 0.56 C ATOM 999 OE1 GLU A 63 3.661 4.225 6.936 1.00 0.81 O ATOM 1000 OE2 GLU A 63 5.366 5.243 7.774 1.00 0.86 O ATOM 0 H GLU A 63 7.528 1.240 8.267 1.00 0.38 H new ATOM 0 HA GLU A 63 5.121 0.159 9.717 1.00 0.40 H new ATOM 0 HB2 GLU A 63 3.819 2.025 8.653 1.00 0.44 H new ATOM 0 HB3 GLU A 63 5.051 2.694 9.705 1.00 0.44 H new ATOM 0 HG2 GLU A 63 6.563 3.056 7.758 1.00 0.54 H new ATOM 0 HG3 GLU A 63 5.403 2.297 6.686 1.00 0.54 H new ATOM 1007 N LEU A 64 4.265 -0.832 7.561 1.00 0.35 N ATOM 1008 CA LEU A 64 3.971 -1.645 6.340 1.00 0.35 C ATOM 1009 C LEU A 64 2.561 -1.323 5.828 1.00 0.32 C ATOM 1010 O LEU A 64 1.618 -1.249 6.596 1.00 0.43 O ATOM 1011 CB LEU A 64 4.060 -3.105 6.799 1.00 0.44 C ATOM 1012 CG LEU A 64 4.074 -4.032 5.579 1.00 0.54 C ATOM 1013 CD1 LEU A 64 4.878 -5.293 5.903 1.00 0.67 C ATOM 1014 CD2 LEU A 64 2.636 -4.424 5.215 1.00 0.64 C ATOM 0 H LEU A 64 3.585 -0.929 8.315 1.00 0.35 H new ATOM 0 HA LEU A 64 4.664 -1.437 5.525 1.00 0.35 H new ATOM 0 HB2 LEU A 64 4.962 -3.255 7.392 1.00 0.44 H new ATOM 0 HB3 LEU A 64 3.213 -3.346 7.441 1.00 0.44 H new ATOM 0 HG LEU A 64 4.534 -3.514 4.737 1.00 0.54 H new ATOM 0 HD11 LEU A 64 4.887 -5.952 5.035 1.00 0.67 H new ATOM 0 HD12 LEU A 64 5.901 -5.017 6.160 1.00 0.67 H new ATOM 0 HD13 LEU A 64 4.420 -5.810 6.746 1.00 0.67 H new ATOM 0 HD21 LEU A 64 2.647 -5.083 4.347 1.00 0.64 H new ATOM 0 HD22 LEU A 64 2.175 -4.940 6.057 1.00 0.64 H new ATOM 0 HD23 LEU A 64 2.062 -3.527 4.982 1.00 0.64 H new ATOM 1026 N GLU A 65 2.410 -1.123 4.541 1.00 0.32 N ATOM 1027 CA GLU A 65 1.060 -0.796 3.982 1.00 0.38 C ATOM 1028 C GLU A 65 0.718 -1.735 2.816 1.00 0.36 C ATOM 1029 O GLU A 65 0.951 -1.418 1.666 1.00 0.39 O ATOM 1030 CB GLU A 65 1.171 0.653 3.492 1.00 0.49 C ATOM 1031 CG GLU A 65 1.414 1.590 4.681 1.00 0.63 C ATOM 1032 CD GLU A 65 2.800 2.231 4.555 1.00 0.75 C ATOM 1033 OE1 GLU A 65 3.755 1.629 5.019 1.00 1.00 O ATOM 1034 OE2 GLU A 65 2.883 3.314 3.999 1.00 0.84 O ATOM 0 H GLU A 65 3.162 -1.172 3.854 1.00 0.32 H new ATOM 0 HA GLU A 65 0.270 -0.917 4.724 1.00 0.38 H new ATOM 0 HB2 GLU A 65 1.987 0.742 2.775 1.00 0.49 H new ATOM 0 HB3 GLU A 65 0.257 0.941 2.972 1.00 0.49 H new ATOM 0 HG2 GLU A 65 0.646 2.363 4.711 1.00 0.63 H new ATOM 0 HG3 GLU A 65 1.343 1.034 5.616 1.00 0.63 H new ATOM 1041 N HIS A 66 0.161 -2.888 3.112 1.00 0.39 N ATOM 1042 CA HIS A 66 -0.209 -3.865 2.034 1.00 0.41 C ATOM 1043 C HIS A 66 1.026 -4.220 1.179 1.00 0.43 C ATOM 1044 O HIS A 66 1.991 -4.702 1.750 1.00 0.53 O ATOM 1045 CB HIS A 66 -1.290 -3.151 1.204 1.00 0.46 C ATOM 1046 CG HIS A 66 -2.084 -4.166 0.425 1.00 0.46 C ATOM 1047 ND1 HIS A 66 -2.865 -5.129 1.046 1.00 0.75 N ATOM 1048 CD2 HIS A 66 -2.227 -4.380 -0.924 1.00 0.65 C ATOM 1049 CE1 HIS A 66 -3.436 -5.871 0.080 1.00 0.76 C ATOM 1050 NE2 HIS A 66 -3.082 -5.458 -1.139 1.00 0.61 N ATOM 1051 OXT HIS A 66 0.990 -4.009 -0.024 1.00 0.57 O ATOM 0 H HIS A 66 -0.055 -3.196 4.060 1.00 0.39 H new ATOM 0 HA HIS A 66 -0.576 -4.810 2.435 1.00 0.41 H new ATOM 0 HB2 HIS A 66 -1.950 -2.584 1.860 1.00 0.46 H new ATOM 0 HB3 HIS A 66 -0.827 -2.437 0.523 1.00 0.46 H new ATOM 0 HD1 HIS A 66 -2.985 -5.252 2.051 1.00 0.75 H new ATOM 0 HD2 HIS A 66 -1.749 -3.800 -1.700 1.00 0.65 H new ATOM 0 HE1 HIS A 66 -4.101 -6.701 0.268 1.00 0.76 H new TER 1059 HIS A 66