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 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 58 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Set 2.1: A 17 SER OG : rot 180:sc= 0.0121 USER MOD Set 2.2: A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 7 SER OG : rot 48:sc= 0.695 USER MOD Set 3.2: A 36 ASN : amide:sc= -0.0262 X(o=0.67,f=0.69) USER MOD Set 4.1: A 6 ASN : amide:sc= -0.053 X(o=-0.13,f=0.21) USER MOD Set 4.2: A 66 HIS : no HE2:sc= -0.076 K(o=-0.13,f=-0.89) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) 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 9 ASN : amide:sc= -0.0533 K(o=-0.053,f=-0.99) USER MOD Single : A 10 ASN : amide:sc= -6.3! C(o=-6.3!,f=-7.7!) USER MOD Single : A 22 HIS : no HE2:sc= -0.183 K(o=-0.18,f=-1.3) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.346 USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -5.58! C(o=-5.6!,f=-6.9!) 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 82:sc= -2.47 USER MOD Single : A 53 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.71 K(o=-1.7,f=-3.3!) USER MOD Single : A 55 GLN : amide:sc= -4.17 K(o=-4.2,f=-13!) USER MOD Single : A 56 MET CE :methyl 157:sc= 0 (180deg=-0.89) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.669 -11.279 -1.840 1.00 2.79 N ATOM 2 CA MET A 1 0.155 -10.024 -1.795 1.00 2.30 C ATOM 3 C MET A 1 -0.640 -8.846 -2.368 1.00 1.65 C ATOM 4 O MET A 1 -0.620 -8.601 -3.561 1.00 1.53 O ATOM 5 CB MET A 1 1.395 -10.291 -2.660 1.00 2.56 C ATOM 6 CG MET A 1 2.617 -10.491 -1.763 1.00 2.64 C ATOM 7 SD MET A 1 3.867 -11.463 -2.639 1.00 3.18 S ATOM 8 CE MET A 1 5.268 -10.363 -2.319 1.00 3.28 C ATOM 0 H1 MET A 1 -0.119 -12.070 -1.449 1.00 2.79 H new ATOM 0 H2 MET A 1 -1.534 -11.147 -1.277 1.00 2.79 H new ATOM 0 H3 MET A 1 -0.926 -11.490 -2.825 1.00 2.79 H new ATOM 0 HA MET A 1 0.430 -9.769 -0.771 1.00 2.30 H new ATOM 0 HB2 MET A 1 1.236 -11.176 -3.277 1.00 2.56 H new ATOM 0 HB3 MET A 1 1.563 -9.455 -3.339 1.00 2.56 H new ATOM 0 HG2 MET A 1 3.030 -9.524 -1.475 1.00 2.64 H new ATOM 0 HG3 MET A 1 2.326 -11.000 -0.844 1.00 2.64 H new ATOM 0 HE1 MET A 1 6.166 -10.775 -2.778 1.00 3.28 H new ATOM 0 HE2 MET A 1 5.063 -9.380 -2.742 1.00 3.28 H new ATOM 0 HE3 MET A 1 5.420 -10.271 -1.244 1.00 3.28 H new ATOM 17 N ASP A 2 -1.338 -8.120 -1.527 1.00 1.45 N ATOM 18 CA ASP A 2 -2.142 -6.952 -2.012 1.00 1.01 C ATOM 19 C ASP A 2 -3.142 -7.405 -3.084 1.00 1.01 C ATOM 20 O ASP A 2 -2.880 -7.336 -4.273 1.00 1.23 O ATOM 21 CB ASP A 2 -1.118 -5.967 -2.582 1.00 0.74 C ATOM 22 CG ASP A 2 -1.408 -4.569 -2.042 1.00 0.93 C ATOM 23 OD1 ASP A 2 -1.140 -4.335 -0.873 1.00 1.20 O ATOM 24 OD2 ASP A 2 -1.890 -3.756 -2.805 1.00 1.57 O ATOM 0 H ASP A 2 -1.386 -8.287 -0.522 1.00 1.45 H new ATOM 0 HA ASP A 2 -2.731 -6.494 -1.217 1.00 1.01 H new ATOM 0 HB2 ASP A 2 -0.109 -6.274 -2.307 1.00 0.74 H new ATOM 0 HB3 ASP A 2 -1.165 -5.966 -3.671 1.00 0.74 H new ATOM 29 N HIS A 3 -4.283 -7.880 -2.656 1.00 1.08 N ATOM 30 CA HIS A 3 -5.325 -8.364 -3.616 1.00 1.17 C ATOM 31 C HIS A 3 -5.921 -7.202 -4.422 1.00 1.09 C ATOM 32 O HIS A 3 -5.528 -6.061 -4.271 1.00 1.05 O ATOM 33 CB HIS A 3 -6.400 -8.999 -2.725 1.00 1.38 C ATOM 34 CG HIS A 3 -6.235 -10.491 -2.715 1.00 1.60 C ATOM 35 ND1 HIS A 3 -7.136 -11.335 -3.341 1.00 1.81 N ATOM 36 CD2 HIS A 3 -5.286 -11.306 -2.150 1.00 2.18 C ATOM 37 CE1 HIS A 3 -6.715 -12.597 -3.140 1.00 2.25 C ATOM 38 NE2 HIS A 3 -5.592 -12.636 -2.419 1.00 2.42 N ATOM 0 H HIS A 3 -4.542 -7.955 -1.672 1.00 1.08 H new ATOM 0 HA HIS A 3 -4.913 -9.062 -4.345 1.00 1.17 H new ATOM 0 HB2 HIS A 3 -6.322 -8.608 -1.710 1.00 1.38 H new ATOM 0 HB3 HIS A 3 -7.392 -8.736 -3.092 1.00 1.38 H new ATOM 0 HD2 HIS A 3 -4.432 -10.966 -1.583 1.00 2.18 H new ATOM 0 HE1 HIS A 3 -7.224 -13.472 -3.516 1.00 2.25 H new ATOM 0 HE2 HIS A 3 -5.071 -13.463 -2.128 1.00 2.42 H new ATOM 46 N SER A 4 -6.871 -7.493 -5.278 1.00 1.15 N ATOM 47 CA SER A 4 -7.508 -6.418 -6.101 1.00 1.13 C ATOM 48 C SER A 4 -8.198 -5.393 -5.189 1.00 1.05 C ATOM 49 O SER A 4 -7.984 -4.202 -5.313 1.00 1.09 O ATOM 50 CB SER A 4 -8.538 -7.139 -6.975 1.00 1.28 C ATOM 51 OG SER A 4 -7.932 -7.501 -8.210 1.00 1.58 O ATOM 0 H SER A 4 -7.233 -8.432 -5.442 1.00 1.15 H new ATOM 0 HA SER A 4 -6.780 -5.872 -6.701 1.00 1.13 H new ATOM 0 HB2 SER A 4 -8.908 -8.028 -6.464 1.00 1.28 H new ATOM 0 HB3 SER A 4 -9.397 -6.493 -7.154 1.00 1.28 H new ATOM 0 HG SER A 4 -8.587 -7.965 -8.772 1.00 1.58 H new ATOM 57 N LEU A 5 -9.013 -5.853 -4.267 1.00 1.04 N ATOM 58 CA LEU A 5 -9.712 -4.910 -3.334 1.00 1.04 C ATOM 59 C LEU A 5 -8.719 -4.312 -2.321 1.00 0.93 C ATOM 60 O LEU A 5 -8.925 -3.228 -1.808 1.00 0.93 O ATOM 61 CB LEU A 5 -10.782 -5.753 -2.619 1.00 1.27 C ATOM 62 CG LEU A 5 -10.121 -6.846 -1.765 1.00 1.40 C ATOM 63 CD1 LEU A 5 -10.325 -6.537 -0.280 1.00 1.55 C ATOM 64 CD2 LEU A 5 -10.753 -8.201 -2.094 1.00 1.67 C ATOM 0 H LEU A 5 -9.224 -6.840 -4.121 1.00 1.04 H new ATOM 0 HA LEU A 5 -10.155 -4.069 -3.868 1.00 1.04 H new ATOM 0 HB2 LEU A 5 -11.397 -5.112 -1.988 1.00 1.27 H new ATOM 0 HB3 LEU A 5 -11.446 -6.209 -3.354 1.00 1.27 H new ATOM 0 HG LEU A 5 -9.054 -6.877 -1.983 1.00 1.40 H new ATOM 0 HD11 LEU A 5 -9.855 -7.315 0.321 1.00 1.55 H new ATOM 0 HD12 LEU A 5 -9.874 -5.573 -0.044 1.00 1.55 H new ATOM 0 HD13 LEU A 5 -11.392 -6.503 -0.059 1.00 1.55 H new ATOM 0 HD21 LEU A 5 -10.285 -8.977 -1.489 1.00 1.67 H new ATOM 0 HD22 LEU A 5 -11.821 -8.167 -1.878 1.00 1.67 H new ATOM 0 HD23 LEU A 5 -10.604 -8.425 -3.150 1.00 1.67 H new ATOM 76 N ASN A 6 -7.641 -5.009 -2.038 1.00 0.93 N ATOM 77 CA ASN A 6 -6.629 -4.484 -1.067 1.00 0.94 C ATOM 78 C ASN A 6 -5.760 -3.416 -1.742 1.00 0.73 C ATOM 79 O ASN A 6 -5.486 -2.378 -1.169 1.00 0.77 O ATOM 80 CB ASN A 6 -5.780 -5.699 -0.679 1.00 1.10 C ATOM 81 CG ASN A 6 -5.890 -5.947 0.826 1.00 1.74 C ATOM 82 OD1 ASN A 6 -6.821 -6.579 1.282 1.00 2.42 O ATOM 83 ND2 ASN A 6 -4.967 -5.477 1.622 1.00 2.04 N ATOM 0 H ASN A 6 -7.420 -5.920 -2.439 1.00 0.93 H new ATOM 0 HA ASN A 6 -7.092 -4.018 -0.197 1.00 0.94 H new ATOM 0 HB2 ASN A 6 -6.116 -6.579 -1.228 1.00 1.10 H new ATOM 0 HB3 ASN A 6 -4.739 -5.530 -0.954 1.00 1.10 H new ATOM 0 HD21 ASN A 6 -5.028 -5.641 2.627 1.00 2.04 H new ATOM 0 HD22 ASN A 6 -4.185 -4.946 1.239 1.00 2.04 H new ATOM 90 N SER A 7 -5.333 -3.668 -2.958 1.00 0.60 N ATOM 91 CA SER A 7 -4.482 -2.679 -3.691 1.00 0.51 C ATOM 92 C SER A 7 -5.229 -1.359 -3.883 1.00 0.45 C ATOM 93 O SER A 7 -4.654 -0.298 -3.751 1.00 0.52 O ATOM 94 CB SER A 7 -4.179 -3.333 -5.043 1.00 0.53 C ATOM 95 OG SER A 7 -3.244 -2.533 -5.754 1.00 0.58 O ATOM 0 H SER A 7 -5.540 -4.522 -3.476 1.00 0.60 H new ATOM 0 HA SER A 7 -3.571 -2.441 -3.142 1.00 0.51 H new ATOM 0 HB2 SER A 7 -3.777 -4.335 -4.893 1.00 0.53 H new ATOM 0 HB3 SER A 7 -5.097 -3.441 -5.621 1.00 0.53 H new ATOM 0 HG SER A 7 -2.500 -2.295 -5.162 1.00 0.58 H new ATOM 101 N LEU A 8 -6.504 -1.416 -4.185 1.00 0.45 N ATOM 102 CA LEU A 8 -7.287 -0.156 -4.377 1.00 0.46 C ATOM 103 C LEU A 8 -7.470 0.578 -3.040 1.00 0.45 C ATOM 104 O LEU A 8 -7.466 1.794 -2.990 1.00 0.46 O ATOM 105 CB LEU A 8 -8.642 -0.599 -4.929 1.00 0.59 C ATOM 106 CG LEU A 8 -9.256 0.543 -5.741 1.00 0.77 C ATOM 107 CD1 LEU A 8 -9.327 0.139 -7.215 1.00 1.10 C ATOM 108 CD2 LEU A 8 -10.666 0.842 -5.227 1.00 1.29 C ATOM 0 H LEU A 8 -7.035 -2.279 -4.306 1.00 0.45 H new ATOM 0 HA LEU A 8 -6.778 0.534 -5.050 1.00 0.46 H new ATOM 0 HB2 LEU A 8 -8.521 -1.482 -5.556 1.00 0.59 H new ATOM 0 HB3 LEU A 8 -9.307 -0.878 -4.112 1.00 0.59 H new ATOM 0 HG LEU A 8 -8.637 1.434 -5.635 1.00 0.77 H new ATOM 0 HD11 LEU A 8 -9.764 0.952 -7.794 1.00 1.10 H new ATOM 0 HD12 LEU A 8 -8.323 -0.070 -7.584 1.00 1.10 H new ATOM 0 HD13 LEU A 8 -9.945 -0.753 -7.318 1.00 1.10 H new ATOM 0 HD21 LEU A 8 -11.100 1.656 -5.808 1.00 1.29 H new ATOM 0 HD22 LEU A 8 -11.287 -0.048 -5.329 1.00 1.29 H new ATOM 0 HD23 LEU A 8 -10.617 1.131 -4.177 1.00 1.29 H new ATOM 120 N ASN A 9 -7.632 -0.152 -1.960 1.00 0.49 N ATOM 121 CA ASN A 9 -7.819 0.503 -0.624 1.00 0.55 C ATOM 122 C ASN A 9 -6.602 1.369 -0.281 1.00 0.48 C ATOM 123 O ASN A 9 -6.731 2.550 -0.013 1.00 0.49 O ATOM 124 CB ASN A 9 -7.962 -0.648 0.378 1.00 0.68 C ATOM 125 CG ASN A 9 -8.923 -0.244 1.504 1.00 1.15 C ATOM 126 OD1 ASN A 9 -9.125 0.927 1.759 1.00 1.77 O ATOM 127 ND2 ASN A 9 -9.529 -1.175 2.197 1.00 1.84 N ATOM 0 H ASN A 9 -7.643 -1.172 -1.946 1.00 0.49 H new ATOM 0 HA ASN A 9 -8.689 1.159 -0.610 1.00 0.55 H new ATOM 0 HB2 ASN A 9 -8.335 -1.538 -0.128 1.00 0.68 H new ATOM 0 HB3 ASN A 9 -6.987 -0.903 0.794 1.00 0.68 H new ATOM 0 HD21 ASN A 9 -10.169 -0.917 2.948 1.00 1.84 H new ATOM 0 HD22 ASN A 9 -9.362 -2.159 1.985 1.00 1.84 H new ATOM 134 N ASN A 10 -5.421 0.797 -0.296 1.00 0.50 N ATOM 135 CA ASN A 10 -4.199 1.598 0.024 1.00 0.53 C ATOM 136 C ASN A 10 -3.897 2.593 -1.108 1.00 0.48 C ATOM 137 O ASN A 10 -3.274 3.609 -0.891 1.00 0.56 O ATOM 138 CB ASN A 10 -3.057 0.579 0.183 1.00 0.64 C ATOM 139 CG ASN A 10 -2.713 -0.063 -1.167 1.00 0.71 C ATOM 140 OD1 ASN A 10 -3.110 -1.177 -1.437 1.00 0.77 O ATOM 141 ND2 ASN A 10 -1.975 0.589 -2.025 1.00 0.77 N ATOM 0 H ASN A 10 -5.252 -0.185 -0.515 1.00 0.50 H new ATOM 0 HA ASN A 10 -4.329 2.188 0.931 1.00 0.53 H new ATOM 0 HB2 ASN A 10 -2.176 1.073 0.592 1.00 0.64 H new ATOM 0 HB3 ASN A 10 -3.348 -0.193 0.895 1.00 0.64 H new ATOM 0 HD21 ASN A 10 -1.734 0.161 -2.919 1.00 0.77 H new ATOM 0 HD22 ASN A 10 -1.640 1.526 -1.801 1.00 0.77 H new ATOM 148 N PHE A 11 -4.334 2.310 -2.313 1.00 0.41 N ATOM 149 CA PHE A 11 -4.064 3.251 -3.445 1.00 0.43 C ATOM 150 C PHE A 11 -4.684 4.628 -3.176 1.00 0.44 C ATOM 151 O PHE A 11 -4.187 5.630 -3.642 1.00 0.53 O ATOM 152 CB PHE A 11 -4.705 2.614 -4.682 1.00 0.42 C ATOM 153 CG PHE A 11 -3.695 2.581 -5.803 1.00 0.41 C ATOM 154 CD1 PHE A 11 -3.134 3.775 -6.273 1.00 0.55 C ATOM 155 CD2 PHE A 11 -3.315 1.358 -6.370 1.00 0.48 C ATOM 156 CE1 PHE A 11 -2.194 3.747 -7.309 1.00 0.66 C ATOM 157 CE2 PHE A 11 -2.376 1.332 -7.406 1.00 0.58 C ATOM 158 CZ PHE A 11 -1.816 2.526 -7.876 1.00 0.63 C ATOM 0 H PHE A 11 -4.863 1.473 -2.560 1.00 0.41 H new ATOM 0 HA PHE A 11 -2.994 3.408 -3.578 1.00 0.43 H new ATOM 0 HB2 PHE A 11 -5.043 1.604 -4.452 1.00 0.42 H new ATOM 0 HB3 PHE A 11 -5.584 3.183 -4.985 1.00 0.42 H new ATOM 0 HD1 PHE A 11 -3.427 4.718 -5.836 1.00 0.55 H new ATOM 0 HD2 PHE A 11 -3.746 0.437 -6.008 1.00 0.48 H new ATOM 0 HE1 PHE A 11 -1.761 4.668 -7.670 1.00 0.66 H new ATOM 0 HE2 PHE A 11 -2.082 0.390 -7.844 1.00 0.58 H new ATOM 0 HZ PHE A 11 -1.092 2.504 -8.677 1.00 0.63 H new ATOM 168 N ASP A 12 -5.765 4.687 -2.435 1.00 0.42 N ATOM 169 CA ASP A 12 -6.410 6.008 -2.151 1.00 0.46 C ATOM 170 C ASP A 12 -5.794 6.658 -0.902 1.00 0.44 C ATOM 171 O ASP A 12 -5.315 7.778 -0.950 1.00 0.45 O ATOM 172 CB ASP A 12 -7.889 5.688 -1.917 1.00 0.52 C ATOM 173 CG ASP A 12 -8.582 5.458 -3.263 1.00 0.59 C ATOM 174 OD1 ASP A 12 -9.028 6.430 -3.851 1.00 0.77 O ATOM 175 OD2 ASP A 12 -8.655 4.315 -3.684 1.00 0.68 O ATOM 0 H ASP A 12 -6.227 3.880 -2.016 1.00 0.42 H new ATOM 0 HA ASP A 12 -6.268 6.713 -2.970 1.00 0.46 H new ATOM 0 HB2 ASP A 12 -7.985 4.801 -1.290 1.00 0.52 H new ATOM 0 HB3 ASP A 12 -8.370 6.509 -1.384 1.00 0.52 H new ATOM 180 N PHE A 13 -5.809 5.967 0.213 1.00 0.45 N ATOM 181 CA PHE A 13 -5.231 6.544 1.469 1.00 0.46 C ATOM 182 C PHE A 13 -3.713 6.738 1.322 1.00 0.41 C ATOM 183 O PHE A 13 -3.172 7.767 1.689 1.00 0.44 O ATOM 184 CB PHE A 13 -5.602 5.532 2.577 1.00 0.51 C ATOM 185 CG PHE A 13 -4.378 4.998 3.296 1.00 0.49 C ATOM 186 CD1 PHE A 13 -3.637 5.830 4.147 1.00 0.55 C ATOM 187 CD2 PHE A 13 -3.997 3.660 3.124 1.00 0.50 C ATOM 188 CE1 PHE A 13 -2.520 5.326 4.821 1.00 0.58 C ATOM 189 CE2 PHE A 13 -2.883 3.156 3.801 1.00 0.53 C ATOM 190 CZ PHE A 13 -2.144 3.990 4.649 1.00 0.57 C ATOM 0 H PHE A 13 -6.197 5.028 0.308 1.00 0.45 H new ATOM 0 HA PHE A 13 -5.623 7.534 1.704 1.00 0.46 H new ATOM 0 HB2 PHE A 13 -6.265 6.011 3.298 1.00 0.51 H new ATOM 0 HB3 PHE A 13 -6.155 4.702 2.138 1.00 0.51 H new ATOM 0 HD1 PHE A 13 -3.929 6.861 4.282 1.00 0.55 H new ATOM 0 HD2 PHE A 13 -4.565 3.018 2.467 1.00 0.50 H new ATOM 0 HE1 PHE A 13 -1.948 5.968 5.474 1.00 0.58 H new ATOM 0 HE2 PHE A 13 -2.592 2.124 3.670 1.00 0.53 H new ATOM 0 HZ PHE A 13 -1.282 3.601 5.171 1.00 0.57 H new ATOM 200 N LEU A 14 -3.018 5.772 0.776 1.00 0.37 N ATOM 201 CA LEU A 14 -1.545 5.935 0.609 1.00 0.34 C ATOM 202 C LEU A 14 -1.241 6.886 -0.554 1.00 0.31 C ATOM 203 O LEU A 14 -0.200 7.489 -0.581 1.00 0.32 O ATOM 204 CB LEU A 14 -0.982 4.537 0.326 1.00 0.33 C ATOM 205 CG LEU A 14 0.312 4.297 1.130 1.00 0.34 C ATOM 206 CD1 LEU A 14 1.086 5.602 1.338 1.00 0.40 C ATOM 207 CD2 LEU A 14 -0.054 3.707 2.491 1.00 0.48 C ATOM 0 H LEU A 14 -3.403 4.888 0.443 1.00 0.37 H new ATOM 0 HA LEU A 14 -1.092 6.365 1.502 1.00 0.34 H new ATOM 0 HB2 LEU A 14 -1.723 3.782 0.587 1.00 0.33 H new ATOM 0 HB3 LEU A 14 -0.779 4.430 -0.740 1.00 0.33 H new ATOM 0 HG LEU A 14 0.946 3.609 0.571 1.00 0.34 H new ATOM 0 HD11 LEU A 14 1.993 5.400 1.908 1.00 0.40 H new ATOM 0 HD12 LEU A 14 1.353 6.025 0.370 1.00 0.40 H new ATOM 0 HD13 LEU A 14 0.464 6.311 1.885 1.00 0.40 H new ATOM 0 HD21 LEU A 14 0.854 3.533 3.068 1.00 0.48 H new ATOM 0 HD22 LEU A 14 -0.698 4.403 3.028 1.00 0.48 H new ATOM 0 HD23 LEU A 14 -0.580 2.763 2.349 1.00 0.48 H new ATOM 219 N ALA A 15 -2.130 7.035 -1.513 1.00 0.33 N ATOM 220 CA ALA A 15 -1.839 7.971 -2.652 1.00 0.34 C ATOM 221 C ALA A 15 -1.401 9.338 -2.108 1.00 0.35 C ATOM 222 O ALA A 15 -0.362 9.858 -2.478 1.00 0.34 O ATOM 223 CB ALA A 15 -3.151 8.107 -3.429 1.00 0.39 C ATOM 0 H ALA A 15 -3.030 6.558 -1.557 1.00 0.33 H new ATOM 0 HA ALA A 15 -1.036 7.597 -3.287 1.00 0.34 H new ATOM 0 HB1 ALA A 15 -3.005 8.779 -4.275 1.00 0.39 H new ATOM 0 HB2 ALA A 15 -3.462 7.128 -3.793 1.00 0.39 H new ATOM 0 HB3 ALA A 15 -3.922 8.512 -2.773 1.00 0.39 H new ATOM 229 N ARG A 16 -2.182 9.915 -1.223 1.00 0.40 N ATOM 230 CA ARG A 16 -1.807 11.244 -0.644 1.00 0.42 C ATOM 231 C ARG A 16 -0.588 11.105 0.285 1.00 0.37 C ATOM 232 O ARG A 16 0.203 12.022 0.415 1.00 0.35 O ATOM 233 CB ARG A 16 -3.045 11.725 0.133 1.00 0.53 C ATOM 234 CG ARG A 16 -3.317 10.809 1.333 1.00 0.57 C ATOM 235 CD ARG A 16 -4.780 10.353 1.317 1.00 0.75 C ATOM 236 NE ARG A 16 -5.492 11.312 2.209 1.00 1.22 N ATOM 237 CZ ARG A 16 -5.966 10.909 3.356 1.00 1.67 C ATOM 238 NH1 ARG A 16 -7.139 10.334 3.413 1.00 2.15 N ATOM 239 NH2 ARG A 16 -5.269 11.084 4.448 1.00 1.92 N ATOM 0 H ARG A 16 -3.059 9.524 -0.879 1.00 0.40 H new ATOM 0 HA ARG A 16 -1.525 11.958 -1.418 1.00 0.42 H new ATOM 0 HB2 ARG A 16 -2.891 12.748 0.477 1.00 0.53 H new ATOM 0 HB3 ARG A 16 -3.913 11.738 -0.526 1.00 0.53 H new ATOM 0 HG2 ARG A 16 -2.656 9.943 1.298 1.00 0.57 H new ATOM 0 HG3 ARG A 16 -3.101 11.337 2.262 1.00 0.57 H new ATOM 0 HD2 ARG A 16 -5.189 10.375 0.307 1.00 0.75 H new ATOM 0 HD3 ARG A 16 -4.879 9.330 1.679 1.00 0.75 H new ATOM 0 HE ARG A 16 -5.609 12.284 1.923 1.00 1.22 H new ATOM 0 HH11 ARG A 16 -7.683 10.200 2.561 1.00 2.15 H new ATOM 0 HH12 ARG A 16 -7.510 10.019 4.310 1.00 2.15 H new ATOM 0 HH21 ARG A 16 -4.355 11.535 4.403 1.00 1.92 H new ATOM 0 HH22 ARG A 16 -5.639 10.769 5.345 1.00 1.92 H new ATOM 253 N SER A 17 -0.423 9.968 0.926 1.00 0.36 N ATOM 254 CA SER A 17 0.752 9.781 1.835 1.00 0.34 C ATOM 255 C SER A 17 2.006 9.395 1.027 1.00 0.28 C ATOM 256 O SER A 17 3.114 9.685 1.427 1.00 0.31 O ATOM 257 CB SER A 17 0.348 8.652 2.784 1.00 0.39 C ATOM 258 OG SER A 17 1.454 8.308 3.608 1.00 0.76 O ATOM 0 H SER A 17 -1.050 9.166 0.858 1.00 0.36 H new ATOM 0 HA SER A 17 1.001 10.694 2.375 1.00 0.34 H new ATOM 0 HB2 SER A 17 -0.495 8.964 3.400 1.00 0.39 H new ATOM 0 HB3 SER A 17 0.021 7.782 2.214 1.00 0.39 H new ATOM 0 HG SER A 17 1.196 7.586 4.218 1.00 0.76 H new ATOM 264 N PHE A 18 1.835 8.754 -0.108 1.00 0.27 N ATOM 265 CA PHE A 18 3.009 8.355 -0.951 1.00 0.23 C ATOM 266 C PHE A 18 3.804 9.606 -1.341 1.00 0.22 C ATOM 267 O PHE A 18 5.008 9.663 -1.176 1.00 0.26 O ATOM 268 CB PHE A 18 2.413 7.702 -2.207 1.00 0.25 C ATOM 269 CG PHE A 18 2.434 6.197 -2.070 1.00 0.26 C ATOM 270 CD1 PHE A 18 3.647 5.522 -1.886 1.00 0.30 C ATOM 271 CD2 PHE A 18 1.237 5.476 -2.126 1.00 0.27 C ATOM 272 CE1 PHE A 18 3.659 4.127 -1.757 1.00 0.33 C ATOM 273 CE2 PHE A 18 1.251 4.085 -1.997 1.00 0.30 C ATOM 274 CZ PHE A 18 2.458 3.410 -1.812 1.00 0.31 C ATOM 0 H PHE A 18 0.926 8.489 -0.488 1.00 0.27 H new ATOM 0 HA PHE A 18 3.682 7.677 -0.425 1.00 0.23 H new ATOM 0 HB2 PHE A 18 1.390 8.047 -2.355 1.00 0.25 H new ATOM 0 HB3 PHE A 18 2.981 8.003 -3.087 1.00 0.25 H new ATOM 0 HD1 PHE A 18 4.573 6.076 -1.844 1.00 0.30 H new ATOM 0 HD2 PHE A 18 0.301 5.995 -2.269 1.00 0.27 H new ATOM 0 HE1 PHE A 18 4.594 3.605 -1.615 1.00 0.33 H new ATOM 0 HE2 PHE A 18 0.325 3.531 -2.041 1.00 0.30 H new ATOM 0 HZ PHE A 18 2.466 2.335 -1.711 1.00 0.31 H new ATOM 284 N ALA A 19 3.124 10.610 -1.848 1.00 0.23 N ATOM 285 CA ALA A 19 3.819 11.876 -2.243 1.00 0.25 C ATOM 286 C ALA A 19 4.375 12.581 -0.997 1.00 0.25 C ATOM 287 O ALA A 19 5.452 13.145 -1.025 1.00 0.33 O ATOM 288 CB ALA A 19 2.742 12.735 -2.911 1.00 0.28 C ATOM 0 H ALA A 19 2.116 10.605 -2.005 1.00 0.23 H new ATOM 0 HA ALA A 19 4.661 11.694 -2.911 1.00 0.25 H new ATOM 0 HB1 ALA A 19 3.177 13.682 -3.228 1.00 0.28 H new ATOM 0 HB2 ALA A 19 2.344 12.210 -3.779 1.00 0.28 H new ATOM 0 HB3 ALA A 19 1.937 12.925 -2.202 1.00 0.28 H new ATOM 294 N ARG A 20 3.650 12.538 0.099 1.00 0.24 N ATOM 295 CA ARG A 20 4.135 13.192 1.356 1.00 0.26 C ATOM 296 C ARG A 20 5.368 12.448 1.891 1.00 0.26 C ATOM 297 O ARG A 20 6.321 13.056 2.341 1.00 0.32 O ATOM 298 CB ARG A 20 2.968 13.081 2.341 1.00 0.32 C ATOM 299 CG ARG A 20 3.129 14.123 3.450 1.00 0.41 C ATOM 300 CD ARG A 20 1.993 13.971 4.466 1.00 0.45 C ATOM 301 NE ARG A 20 2.503 13.001 5.477 1.00 0.48 N ATOM 302 CZ ARG A 20 2.110 11.755 5.446 1.00 0.52 C ATOM 303 NH1 ARG A 20 0.928 11.430 5.898 1.00 0.76 N ATOM 304 NH2 ARG A 20 2.902 10.833 4.962 1.00 0.53 N ATOM 0 H ARG A 20 2.743 12.077 0.175 1.00 0.24 H new ATOM 0 HA ARG A 20 4.431 14.229 1.197 1.00 0.26 H new ATOM 0 HB2 ARG A 20 2.023 13.234 1.819 1.00 0.32 H new ATOM 0 HB3 ARG A 20 2.936 12.080 2.771 1.00 0.32 H new ATOM 0 HG2 ARG A 20 4.092 13.997 3.945 1.00 0.41 H new ATOM 0 HG3 ARG A 20 3.118 15.126 3.025 1.00 0.41 H new ATOM 0 HD2 ARG A 20 1.746 14.927 4.927 1.00 0.45 H new ATOM 0 HD3 ARG A 20 1.085 13.603 3.989 1.00 0.45 H new ATOM 0 HE ARG A 20 3.159 13.310 6.194 1.00 0.48 H new ATOM 0 HH11 ARG A 20 0.311 12.149 6.276 1.00 0.76 H new ATOM 0 HH12 ARG A 20 0.622 10.457 5.873 1.00 0.76 H new ATOM 0 HH21 ARG A 20 3.825 11.087 4.610 1.00 0.53 H new ATOM 0 HH22 ARG A 20 2.597 9.860 4.937 1.00 0.53 H new ATOM 318 N MET A 21 5.356 11.136 1.828 1.00 0.26 N ATOM 319 CA MET A 21 6.524 10.336 2.316 1.00 0.29 C ATOM 320 C MET A 21 7.746 10.566 1.412 1.00 0.29 C ATOM 321 O MET A 21 8.870 10.344 1.817 1.00 0.37 O ATOM 322 CB MET A 21 6.071 8.875 2.241 1.00 0.33 C ATOM 323 CG MET A 21 5.064 8.588 3.359 1.00 0.39 C ATOM 324 SD MET A 21 5.721 7.306 4.454 1.00 0.51 S ATOM 325 CE MET A 21 4.186 6.962 5.346 1.00 0.83 C ATOM 0 H MET A 21 4.583 10.584 1.457 1.00 0.26 H new ATOM 0 HA MET A 21 6.819 10.619 3.326 1.00 0.29 H new ATOM 0 HB2 MET A 21 5.618 8.674 1.270 1.00 0.33 H new ATOM 0 HB3 MET A 21 6.931 8.212 2.335 1.00 0.33 H new ATOM 0 HG2 MET A 21 4.866 9.498 3.926 1.00 0.39 H new ATOM 0 HG3 MET A 21 4.114 8.265 2.933 1.00 0.39 H new ATOM 0 HE1 MET A 21 4.363 6.184 6.088 1.00 0.83 H new ATOM 0 HE2 MET A 21 3.844 7.869 5.845 1.00 0.83 H new ATOM 0 HE3 MET A 21 3.424 6.626 4.643 1.00 0.83 H new ATOM 335 N HIS A 22 7.532 11.016 0.194 1.00 0.28 N ATOM 336 CA HIS A 22 8.680 11.270 -0.731 1.00 0.33 C ATOM 337 C HIS A 22 9.582 12.376 -0.167 1.00 0.37 C ATOM 338 O HIS A 22 10.794 12.272 -0.197 1.00 0.48 O ATOM 339 CB HIS A 22 8.042 11.712 -2.051 1.00 0.35 C ATOM 340 CG HIS A 22 9.090 11.750 -3.128 1.00 0.40 C ATOM 341 ND1 HIS A 22 9.477 10.617 -3.824 1.00 0.39 N ATOM 342 CD2 HIS A 22 9.847 12.778 -3.634 1.00 0.61 C ATOM 343 CE1 HIS A 22 10.427 10.986 -4.703 1.00 0.50 C ATOM 344 NE2 HIS A 22 10.690 12.293 -4.627 1.00 0.63 N ATOM 0 H HIS A 22 6.611 11.217 -0.196 1.00 0.28 H new ATOM 0 HA HIS A 22 9.307 10.388 -0.861 1.00 0.33 H new ATOM 0 HB2 HIS A 22 7.244 11.024 -2.330 1.00 0.35 H new ATOM 0 HB3 HIS A 22 7.588 12.696 -1.936 1.00 0.35 H new ATOM 0 HD1 HIS A 22 9.109 9.675 -3.694 1.00 0.39 H new ATOM 0 HD2 HIS A 22 9.795 13.807 -3.310 1.00 0.61 H new ATOM 0 HE1 HIS A 22 10.917 10.308 -5.386 1.00 0.50 H new ATOM 352 N ALA A 23 8.997 13.430 0.348 1.00 0.38 N ATOM 353 CA ALA A 23 9.812 14.546 0.922 1.00 0.47 C ATOM 354 C ALA A 23 10.275 14.200 2.345 1.00 0.46 C ATOM 355 O ALA A 23 11.345 14.596 2.767 1.00 0.63 O ATOM 356 CB ALA A 23 8.874 15.754 0.945 1.00 0.54 C ATOM 0 H ALA A 23 7.987 13.566 0.396 1.00 0.38 H new ATOM 0 HA ALA A 23 10.711 14.736 0.336 1.00 0.47 H new ATOM 0 HB1 ALA A 23 9.401 16.616 1.355 1.00 0.54 H new ATOM 0 HB2 ALA A 23 8.545 15.978 -0.070 1.00 0.54 H new ATOM 0 HB3 ALA A 23 8.007 15.530 1.566 1.00 0.54 H new ATOM 362 N GLU A 24 9.476 13.466 3.084 1.00 0.38 N ATOM 363 CA GLU A 24 9.865 13.094 4.482 1.00 0.42 C ATOM 364 C GLU A 24 10.928 11.984 4.478 1.00 0.43 C ATOM 365 O GLU A 24 11.708 11.865 5.405 1.00 0.52 O ATOM 366 CB GLU A 24 8.573 12.596 5.136 1.00 0.44 C ATOM 367 CG GLU A 24 7.611 13.773 5.341 1.00 0.48 C ATOM 368 CD GLU A 24 6.260 13.260 5.851 1.00 0.56 C ATOM 369 OE1 GLU A 24 5.662 12.435 5.175 1.00 0.65 O ATOM 370 OE2 GLU A 24 5.844 13.703 6.908 1.00 0.77 O ATOM 0 H GLU A 24 8.571 13.108 2.779 1.00 0.38 H new ATOM 0 HA GLU A 24 10.299 13.937 5.019 1.00 0.42 H new ATOM 0 HB2 GLU A 24 8.106 11.837 4.509 1.00 0.44 H new ATOM 0 HB3 GLU A 24 8.797 12.125 6.093 1.00 0.44 H new ATOM 0 HG2 GLU A 24 8.034 14.480 6.055 1.00 0.48 H new ATOM 0 HG3 GLU A 24 7.475 14.310 4.403 1.00 0.48 H new ATOM 377 N GLY A 25 10.962 11.168 3.450 1.00 0.38 N ATOM 378 CA GLY A 25 11.970 10.067 3.390 1.00 0.41 C ATOM 379 C GLY A 25 11.527 8.916 4.297 1.00 0.39 C ATOM 380 O GLY A 25 12.327 8.331 5.005 1.00 0.50 O ATOM 0 H GLY A 25 10.332 11.220 2.649 1.00 0.38 H new ATOM 0 HA2 GLY A 25 12.078 9.714 2.364 1.00 0.41 H new ATOM 0 HA3 GLY A 25 12.946 10.436 3.704 1.00 0.41 H new ATOM 384 N ARG A 26 10.258 8.586 4.281 1.00 0.35 N ATOM 385 CA ARG A 26 9.755 7.472 5.142 1.00 0.36 C ATOM 386 C ARG A 26 9.408 6.252 4.279 1.00 0.33 C ATOM 387 O ARG A 26 9.227 6.377 3.083 1.00 0.32 O ATOM 388 CB ARG A 26 8.499 8.027 5.817 1.00 0.39 C ATOM 389 CG ARG A 26 8.892 8.794 7.082 1.00 0.57 C ATOM 390 CD ARG A 26 7.659 8.986 7.969 1.00 0.57 C ATOM 391 NE ARG A 26 6.958 10.183 7.416 1.00 0.63 N ATOM 392 CZ ARG A 26 6.123 10.855 8.165 1.00 0.75 C ATOM 393 NH1 ARG A 26 6.574 11.572 9.163 1.00 1.37 N ATOM 394 NH2 ARG A 26 4.838 10.811 7.915 1.00 1.28 N ATOM 0 H ARG A 26 9.548 9.042 3.707 1.00 0.35 H new ATOM 0 HA ARG A 26 10.497 7.145 5.870 1.00 0.36 H new ATOM 0 HB2 ARG A 26 7.966 8.686 5.131 1.00 0.39 H new ATOM 0 HB3 ARG A 26 7.820 7.213 6.070 1.00 0.39 H new ATOM 0 HG2 ARG A 26 9.663 8.248 7.626 1.00 0.57 H new ATOM 0 HG3 ARG A 26 9.315 9.762 6.816 1.00 0.57 H new ATOM 0 HD2 ARG A 26 7.015 8.107 7.943 1.00 0.57 H new ATOM 0 HD3 ARG A 26 7.944 9.143 9.009 1.00 0.57 H new ATOM 0 HE ARG A 26 7.130 10.476 6.454 1.00 0.63 H new ATOM 0 HH11 ARG A 26 7.575 11.606 9.355 1.00 1.37 H new ATOM 0 HH12 ARG A 26 5.924 12.097 9.748 1.00 1.37 H new ATOM 0 HH21 ARG A 26 4.489 10.253 7.136 1.00 1.28 H new ATOM 0 HH22 ARG A 26 4.187 11.335 8.499 1.00 1.28 H new ATOM 408 N PRO A 27 9.328 5.106 4.917 1.00 0.34 N ATOM 409 CA PRO A 27 9.004 3.851 4.193 1.00 0.33 C ATOM 410 C PRO A 27 7.544 3.849 3.722 1.00 0.32 C ATOM 411 O PRO A 27 6.631 4.135 4.474 1.00 0.37 O ATOM 412 CB PRO A 27 9.264 2.759 5.226 1.00 0.38 C ATOM 413 CG PRO A 27 9.116 3.436 6.549 1.00 0.41 C ATOM 414 CD PRO A 27 9.528 4.872 6.356 1.00 0.39 C ATOM 0 HA PRO A 27 9.598 3.716 3.289 1.00 0.33 H new ATOM 0 HB2 PRO A 27 8.554 1.939 5.121 1.00 0.38 H new ATOM 0 HB3 PRO A 27 10.261 2.334 5.109 1.00 0.38 H new ATOM 0 HG2 PRO A 27 8.086 3.374 6.901 1.00 0.41 H new ATOM 0 HG3 PRO A 27 9.740 2.953 7.301 1.00 0.41 H new ATOM 0 HD2 PRO A 27 8.920 5.547 6.959 1.00 0.39 H new ATOM 0 HD3 PRO A 27 10.566 5.033 6.647 1.00 0.39 H new ATOM 422 N VAL A 28 7.335 3.530 2.470 1.00 0.30 N ATOM 423 CA VAL A 28 5.954 3.498 1.892 1.00 0.30 C ATOM 424 C VAL A 28 5.803 2.216 1.073 1.00 0.31 C ATOM 425 O VAL A 28 6.646 1.900 0.254 1.00 0.34 O ATOM 426 CB VAL A 28 5.848 4.740 0.986 1.00 0.28 C ATOM 427 CG1 VAL A 28 4.411 5.248 0.987 1.00 0.33 C ATOM 428 CG2 VAL A 28 6.754 5.867 1.500 1.00 0.28 C ATOM 0 H VAL A 28 8.075 3.286 1.812 1.00 0.30 H new ATOM 0 HA VAL A 28 5.175 3.510 2.654 1.00 0.30 H new ATOM 0 HB VAL A 28 6.157 4.455 -0.020 1.00 0.28 H new ATOM 0 HG11 VAL A 28 4.335 6.127 0.346 1.00 0.33 H new ATOM 0 HG12 VAL A 28 3.749 4.467 0.612 1.00 0.33 H new ATOM 0 HG13 VAL A 28 4.120 5.514 2.003 1.00 0.33 H new ATOM 0 HG21 VAL A 28 6.663 6.734 0.845 1.00 0.28 H new ATOM 0 HG22 VAL A 28 6.454 6.143 2.511 1.00 0.28 H new ATOM 0 HG23 VAL A 28 7.789 5.526 1.509 1.00 0.28 H new ATOM 438 N ASP A 29 4.755 1.461 1.295 1.00 0.35 N ATOM 439 CA ASP A 29 4.589 0.187 0.532 1.00 0.37 C ATOM 440 C ASP A 29 4.219 0.473 -0.929 1.00 0.32 C ATOM 441 O ASP A 29 3.055 0.479 -1.302 1.00 0.34 O ATOM 442 CB ASP A 29 3.449 -0.554 1.243 1.00 0.44 C ATOM 443 CG ASP A 29 3.655 -2.064 1.113 1.00 0.55 C ATOM 444 OD1 ASP A 29 3.341 -2.600 0.061 1.00 0.62 O ATOM 445 OD2 ASP A 29 4.125 -2.659 2.067 1.00 0.87 O ATOM 0 H ASP A 29 4.015 1.670 1.965 1.00 0.35 H new ATOM 0 HA ASP A 29 5.508 -0.398 0.509 1.00 0.37 H new ATOM 0 HB2 ASP A 29 3.419 -0.271 2.295 1.00 0.44 H new ATOM 0 HB3 ASP A 29 2.491 -0.269 0.809 1.00 0.44 H new ATOM 450 N ILE A 30 5.203 0.668 -1.774 1.00 0.30 N ATOM 451 CA ILE A 30 4.893 0.920 -3.209 1.00 0.28 C ATOM 452 C ILE A 30 4.306 -0.350 -3.819 1.00 0.29 C ATOM 453 O ILE A 30 3.463 -0.284 -4.688 1.00 0.31 O ATOM 454 CB ILE A 30 6.213 1.287 -3.893 1.00 0.29 C ATOM 455 CG1 ILE A 30 6.651 2.694 -3.465 1.00 0.28 C ATOM 456 CG2 ILE A 30 6.014 1.265 -5.411 1.00 0.36 C ATOM 457 CD1 ILE A 30 5.633 3.732 -3.949 1.00 0.30 C ATOM 0 H ILE A 30 6.194 0.663 -1.533 1.00 0.30 H new ATOM 0 HA ILE A 30 4.168 1.725 -3.333 1.00 0.28 H new ATOM 0 HB ILE A 30 6.980 0.568 -3.605 1.00 0.29 H new ATOM 0 HG12 ILE A 30 6.742 2.741 -2.380 1.00 0.28 H new ATOM 0 HG13 ILE A 30 7.635 2.918 -3.877 1.00 0.28 H new ATOM 0 HG21 ILE A 30 6.950 1.526 -5.905 1.00 0.36 H new ATOM 0 HG22 ILE A 30 5.705 0.267 -5.723 1.00 0.36 H new ATOM 0 HG23 ILE A 30 5.245 1.986 -5.688 1.00 0.36 H new ATOM 0 HD11 ILE A 30 5.953 4.727 -3.640 1.00 0.30 H new ATOM 0 HD12 ILE A 30 5.564 3.694 -5.036 1.00 0.30 H new ATOM 0 HD13 ILE A 30 4.657 3.514 -3.515 1.00 0.30 H new ATOM 469 N LEU A 31 4.731 -1.505 -3.349 1.00 0.31 N ATOM 470 CA LEU A 31 4.175 -2.785 -3.882 1.00 0.35 C ATOM 471 C LEU A 31 2.651 -2.715 -3.829 1.00 0.36 C ATOM 472 O LEU A 31 1.969 -3.117 -4.754 1.00 0.39 O ATOM 473 CB LEU A 31 4.724 -3.882 -2.949 1.00 0.40 C ATOM 474 CG LEU A 31 3.940 -5.199 -3.113 1.00 0.46 C ATOM 475 CD1 LEU A 31 2.588 -5.097 -2.396 1.00 0.48 C ATOM 476 CD2 LEU A 31 3.714 -5.494 -4.601 1.00 0.46 C ATOM 0 H LEU A 31 5.438 -1.611 -2.621 1.00 0.31 H new ATOM 0 HA LEU A 31 4.455 -2.983 -4.917 1.00 0.35 H new ATOM 0 HB2 LEU A 31 5.778 -4.054 -3.167 1.00 0.40 H new ATOM 0 HB3 LEU A 31 4.663 -3.546 -1.914 1.00 0.40 H new ATOM 0 HG LEU A 31 4.519 -6.010 -2.672 1.00 0.46 H new ATOM 0 HD11 LEU A 31 2.041 -6.032 -2.517 1.00 0.48 H new ATOM 0 HD12 LEU A 31 2.752 -4.907 -1.335 1.00 0.48 H new ATOM 0 HD13 LEU A 31 2.009 -4.279 -2.826 1.00 0.48 H new ATOM 0 HD21 LEU A 31 3.159 -6.426 -4.707 1.00 0.46 H new ATOM 0 HD22 LEU A 31 3.145 -4.680 -5.051 1.00 0.46 H new ATOM 0 HD23 LEU A 31 4.677 -5.585 -5.104 1.00 0.46 H new ATOM 488 N ALA A 32 2.118 -2.174 -2.763 1.00 0.38 N ATOM 489 CA ALA A 32 0.642 -2.032 -2.648 1.00 0.42 C ATOM 490 C ALA A 32 0.112 -1.302 -3.888 1.00 0.41 C ATOM 491 O ALA A 32 -0.934 -1.623 -4.419 1.00 0.48 O ATOM 492 CB ALA A 32 0.434 -1.185 -1.395 1.00 0.42 C ATOM 0 H ALA A 32 2.648 -1.824 -1.965 1.00 0.38 H new ATOM 0 HA ALA A 32 0.121 -2.987 -2.581 1.00 0.42 H new ATOM 0 HB1 ALA A 32 -0.633 -1.030 -1.234 1.00 0.42 H new ATOM 0 HB2 ALA A 32 0.860 -1.699 -0.534 1.00 0.42 H new ATOM 0 HB3 ALA A 32 0.926 -0.221 -1.522 1.00 0.42 H new ATOM 498 N VAL A 33 0.851 -0.325 -4.348 1.00 0.36 N ATOM 499 CA VAL A 33 0.441 0.450 -5.560 1.00 0.37 C ATOM 500 C VAL A 33 0.797 -0.301 -6.860 1.00 0.37 C ATOM 501 O VAL A 33 0.228 -0.038 -7.904 1.00 0.44 O ATOM 502 CB VAL A 33 1.229 1.759 -5.442 1.00 0.36 C ATOM 503 CG1 VAL A 33 1.462 2.379 -6.822 1.00 0.38 C ATOM 504 CG2 VAL A 33 0.434 2.739 -4.580 1.00 0.38 C ATOM 0 H VAL A 33 1.733 -0.027 -3.930 1.00 0.36 H new ATOM 0 HA VAL A 33 -0.636 0.609 -5.607 1.00 0.37 H new ATOM 0 HB VAL A 33 2.197 1.548 -4.987 1.00 0.36 H new ATOM 0 HG11 VAL A 33 2.023 3.307 -6.714 1.00 0.38 H new ATOM 0 HG12 VAL A 33 2.027 1.684 -7.443 1.00 0.38 H new ATOM 0 HG13 VAL A 33 0.502 2.588 -7.294 1.00 0.38 H new ATOM 0 HG21 VAL A 33 0.986 3.675 -4.489 1.00 0.38 H new ATOM 0 HG22 VAL A 33 -0.533 2.932 -5.045 1.00 0.38 H new ATOM 0 HG23 VAL A 33 0.281 2.311 -3.589 1.00 0.38 H new ATOM 514 N THR A 34 1.728 -1.221 -6.813 1.00 0.34 N ATOM 515 CA THR A 34 2.109 -1.968 -8.059 1.00 0.35 C ATOM 516 C THR A 34 1.189 -3.183 -8.268 1.00 0.38 C ATOM 517 O THR A 34 1.122 -3.729 -9.355 1.00 0.48 O ATOM 518 CB THR A 34 3.573 -2.413 -7.865 1.00 0.34 C ATOM 519 OG1 THR A 34 3.617 -3.650 -7.161 1.00 0.38 O ATOM 520 CG2 THR A 34 4.352 -1.355 -7.079 1.00 0.32 C ATOM 0 H THR A 34 2.240 -1.489 -5.972 1.00 0.34 H new ATOM 0 HA THR A 34 2.004 -1.341 -8.944 1.00 0.35 H new ATOM 0 HB THR A 34 4.029 -2.536 -8.847 1.00 0.34 H new ATOM 0 HG1 THR A 34 4.550 -3.926 -7.043 1.00 0.38 H new ATOM 0 HG21 THR A 34 5.383 -1.684 -6.950 1.00 0.32 H new ATOM 0 HG22 THR A 34 4.337 -0.412 -7.625 1.00 0.32 H new ATOM 0 HG23 THR A 34 3.891 -1.215 -6.101 1.00 0.32 H new ATOM 528 N GLY A 35 0.479 -3.607 -7.246 1.00 0.38 N ATOM 529 CA GLY A 35 -0.437 -4.780 -7.395 1.00 0.43 C ATOM 530 C GLY A 35 -1.508 -4.464 -8.445 1.00 0.44 C ATOM 531 O GLY A 35 -1.882 -5.312 -9.233 1.00 0.56 O ATOM 0 H GLY A 35 0.496 -3.189 -6.316 1.00 0.38 H new ATOM 0 HA2 GLY A 35 0.130 -5.662 -7.693 1.00 0.43 H new ATOM 0 HA3 GLY A 35 -0.907 -5.011 -6.439 1.00 0.43 H new ATOM 535 N ASN A 36 -1.997 -3.245 -8.467 1.00 0.44 N ATOM 536 CA ASN A 36 -3.038 -2.869 -9.472 1.00 0.53 C ATOM 537 C ASN A 36 -2.396 -2.597 -10.841 1.00 0.51 C ATOM 538 O ASN A 36 -3.018 -2.803 -11.867 1.00 0.64 O ATOM 539 CB ASN A 36 -3.689 -1.595 -8.924 1.00 0.60 C ATOM 540 CG ASN A 36 -5.211 -1.707 -9.048 1.00 0.91 C ATOM 541 OD1 ASN A 36 -5.748 -1.634 -10.135 1.00 1.43 O ATOM 542 ND2 ASN A 36 -5.932 -1.882 -7.973 1.00 1.08 N ATOM 0 H ASN A 36 -1.719 -2.497 -7.832 1.00 0.44 H new ATOM 0 HA ASN A 36 -3.765 -3.668 -9.618 1.00 0.53 H new ATOM 0 HB2 ASN A 36 -3.408 -1.450 -7.881 1.00 0.60 H new ATOM 0 HB3 ASN A 36 -3.331 -0.725 -9.475 1.00 0.60 H new ATOM 0 HD21 ASN A 36 -6.947 -1.957 -8.046 1.00 1.08 H new ATOM 0 HD22 ASN A 36 -5.480 -1.943 -7.060 1.00 1.08 H new ATOM 549 N MET A 37 -1.159 -2.138 -10.861 1.00 0.44 N ATOM 550 CA MET A 37 -0.460 -1.847 -12.157 1.00 0.50 C ATOM 551 C MET A 37 -1.232 -0.797 -12.963 1.00 0.46 C ATOM 552 O MET A 37 -2.114 -1.114 -13.739 1.00 0.68 O ATOM 553 CB MET A 37 -0.404 -3.185 -12.908 1.00 0.69 C ATOM 554 CG MET A 37 1.025 -3.721 -12.879 1.00 1.02 C ATOM 555 SD MET A 37 1.061 -5.379 -13.602 1.00 1.40 S ATOM 556 CE MET A 37 2.848 -5.628 -13.484 1.00 2.24 C ATOM 0 H MET A 37 -0.603 -1.952 -10.026 1.00 0.44 H new ATOM 0 HA MET A 37 0.538 -1.440 -11.995 1.00 0.50 H new ATOM 0 HB2 MET A 37 -1.083 -3.902 -12.447 1.00 0.69 H new ATOM 0 HB3 MET A 37 -0.733 -3.051 -13.938 1.00 0.69 H new ATOM 0 HG2 MET A 37 1.686 -3.056 -13.435 1.00 1.02 H new ATOM 0 HG3 MET A 37 1.393 -3.752 -11.853 1.00 1.02 H new ATOM 0 HE1 MET A 37 3.106 -6.610 -13.882 1.00 2.24 H new ATOM 0 HE2 MET A 37 3.361 -4.857 -14.059 1.00 2.24 H new ATOM 0 HE3 MET A 37 3.156 -5.568 -12.440 1.00 2.24 H new ATOM 566 N ASP A 38 -0.905 0.456 -12.781 1.00 0.42 N ATOM 567 CA ASP A 38 -1.620 1.532 -13.530 1.00 0.46 C ATOM 568 C ASP A 38 -0.699 2.180 -14.567 1.00 0.44 C ATOM 569 O ASP A 38 0.513 2.139 -14.449 1.00 0.43 O ATOM 570 CB ASP A 38 -2.036 2.551 -12.465 1.00 0.56 C ATOM 571 CG ASP A 38 -3.204 1.989 -11.648 1.00 0.63 C ATOM 572 OD1 ASP A 38 -4.338 2.211 -12.042 1.00 1.09 O ATOM 573 OD2 ASP A 38 -2.944 1.344 -10.645 1.00 0.78 O ATOM 0 H ASP A 38 -0.175 0.780 -12.147 1.00 0.42 H new ATOM 0 HA ASP A 38 -2.476 1.142 -14.080 1.00 0.46 H new ATOM 0 HB2 ASP A 38 -1.194 2.773 -11.810 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -2.327 3.489 -12.938 1.00 0.56 H new ATOM 578 N GLU A 39 -1.272 2.787 -15.579 1.00 0.50 N ATOM 579 CA GLU A 39 -0.441 3.456 -16.628 1.00 0.53 C ATOM 580 C GLU A 39 0.402 4.559 -15.986 1.00 0.47 C ATOM 581 O GLU A 39 1.580 4.690 -16.258 1.00 0.48 O ATOM 582 CB GLU A 39 -1.441 4.060 -17.620 1.00 0.64 C ATOM 583 CG GLU A 39 -1.837 3.005 -18.657 1.00 0.92 C ATOM 584 CD GLU A 39 -0.858 3.048 -19.832 1.00 1.28 C ATOM 585 OE1 GLU A 39 0.138 2.344 -19.774 1.00 1.52 O ATOM 586 OE2 GLU A 39 -1.119 3.785 -20.769 1.00 1.61 O ATOM 0 H GLU A 39 -2.280 2.848 -15.723 1.00 0.50 H new ATOM 0 HA GLU A 39 0.241 2.762 -17.120 1.00 0.53 H new ATOM 0 HB2 GLU A 39 -2.326 4.414 -17.090 1.00 0.64 H new ATOM 0 HB3 GLU A 39 -1.000 4.924 -18.116 1.00 0.64 H new ATOM 0 HG2 GLU A 39 -1.832 2.014 -18.203 1.00 0.92 H new ATOM 0 HG3 GLU A 39 -2.852 3.189 -19.009 1.00 0.92 H new ATOM 593 N GLU A 40 -0.198 5.342 -15.123 1.00 0.46 N ATOM 594 CA GLU A 40 0.557 6.430 -14.438 1.00 0.45 C ATOM 595 C GLU A 40 1.550 5.826 -13.432 1.00 0.38 C ATOM 596 O GLU A 40 2.584 6.403 -13.152 1.00 0.40 O ATOM 597 CB GLU A 40 -0.507 7.262 -13.713 1.00 0.52 C ATOM 598 CG GLU A 40 0.149 8.475 -13.044 1.00 0.62 C ATOM 599 CD GLU A 40 0.037 8.347 -11.521 1.00 0.72 C ATOM 600 OE1 GLU A 40 -0.951 8.812 -10.978 1.00 0.97 O ATOM 601 OE2 GLU A 40 0.941 7.784 -10.925 1.00 0.80 O ATOM 0 H GLU A 40 -1.182 5.272 -14.864 1.00 0.46 H new ATOM 0 HA GLU A 40 1.136 7.035 -15.135 1.00 0.45 H new ATOM 0 HB2 GLU A 40 -1.268 7.592 -14.420 1.00 0.52 H new ATOM 0 HB3 GLU A 40 -1.012 6.651 -12.965 1.00 0.52 H new ATOM 0 HG2 GLU A 40 1.197 8.542 -13.337 1.00 0.62 H new ATOM 0 HG3 GLU A 40 -0.335 9.393 -13.378 1.00 0.62 H new ATOM 608 N HIS A 41 1.242 4.667 -12.891 1.00 0.36 N ATOM 609 CA HIS A 41 2.163 4.018 -11.906 1.00 0.33 C ATOM 610 C HIS A 41 3.516 3.676 -12.561 1.00 0.30 C ATOM 611 O HIS A 41 4.530 3.622 -11.892 1.00 0.31 O ATOM 612 CB HIS A 41 1.438 2.743 -11.448 1.00 0.35 C ATOM 613 CG HIS A 41 2.388 1.875 -10.663 1.00 0.33 C ATOM 614 ND1 HIS A 41 3.016 2.324 -9.510 1.00 0.34 N ATOM 615 CD2 HIS A 41 2.845 0.596 -10.864 1.00 0.37 C ATOM 616 CE1 HIS A 41 3.811 1.333 -9.067 1.00 0.36 C ATOM 617 NE2 HIS A 41 3.744 0.256 -9.857 1.00 0.37 N ATOM 0 H HIS A 41 0.390 4.144 -13.092 1.00 0.36 H new ATOM 0 HA HIS A 41 2.387 4.678 -11.068 1.00 0.33 H new ATOM 0 HB2 HIS A 41 0.576 3.003 -10.834 1.00 0.35 H new ATOM 0 HB3 HIS A 41 1.060 2.197 -12.312 1.00 0.35 H new ATOM 0 HD1 HIS A 41 2.897 3.240 -9.077 1.00 0.34 H new ATOM 0 HD2 HIS A 41 2.552 -0.048 -11.679 1.00 0.37 H new ATOM 0 HE1 HIS A 41 4.427 1.399 -8.183 1.00 0.36 H new ATOM 625 N ARG A 42 3.541 3.447 -13.856 1.00 0.34 N ATOM 626 CA ARG A 42 4.835 3.113 -14.540 1.00 0.37 C ATOM 627 C ARG A 42 5.857 4.238 -14.323 1.00 0.34 C ATOM 628 O ARG A 42 6.873 4.043 -13.682 1.00 0.35 O ATOM 629 CB ARG A 42 4.492 2.977 -16.027 1.00 0.46 C ATOM 630 CG ARG A 42 4.462 1.497 -16.416 1.00 0.65 C ATOM 631 CD ARG A 42 3.303 1.246 -17.384 1.00 0.76 C ATOM 632 NE ARG A 42 2.162 0.820 -16.523 1.00 1.30 N ATOM 633 CZ ARG A 42 1.644 -0.371 -16.664 1.00 1.65 C ATOM 634 NH1 ARG A 42 0.735 -0.584 -17.581 1.00 2.03 N ATOM 635 NH2 ARG A 42 2.034 -1.348 -15.886 1.00 2.02 N ATOM 0 H ARG A 42 2.724 3.477 -14.466 1.00 0.34 H new ATOM 0 HA ARG A 42 5.278 2.199 -14.146 1.00 0.37 H new ATOM 0 HB2 ARG A 42 3.525 3.436 -16.230 1.00 0.46 H new ATOM 0 HB3 ARG A 42 5.229 3.507 -16.630 1.00 0.46 H new ATOM 0 HG2 ARG A 42 5.406 1.213 -16.881 1.00 0.65 H new ATOM 0 HG3 ARG A 42 4.347 0.879 -15.526 1.00 0.65 H new ATOM 0 HD2 ARG A 42 3.057 2.147 -17.947 1.00 0.76 H new ATOM 0 HD3 ARG A 42 3.557 0.475 -18.112 1.00 0.76 H new ATOM 0 HE ARG A 42 1.786 1.459 -15.823 1.00 1.30 H new ATOM 0 HH11 ARG A 42 0.431 0.180 -18.185 1.00 2.03 H new ATOM 0 HH12 ARG A 42 0.330 -1.514 -17.692 1.00 2.03 H new ATOM 0 HH21 ARG A 42 2.741 -1.179 -15.171 1.00 2.02 H new ATOM 0 HH22 ARG A 42 1.631 -2.279 -15.995 1.00 2.02 H new ATOM 649 N THR A 43 5.589 5.415 -14.841 1.00 0.35 N ATOM 650 CA THR A 43 6.542 6.555 -14.648 1.00 0.35 C ATOM 651 C THR A 43 6.585 6.952 -13.164 1.00 0.29 C ATOM 652 O THR A 43 7.606 7.393 -12.660 1.00 0.31 O ATOM 653 CB THR A 43 6.003 7.702 -15.520 1.00 0.42 C ATOM 654 OG1 THR A 43 6.945 8.765 -15.532 1.00 0.52 O ATOM 655 CG2 THR A 43 4.668 8.213 -14.969 1.00 0.46 C ATOM 0 H THR A 43 4.755 5.634 -15.386 1.00 0.35 H new ATOM 0 HA THR A 43 7.561 6.296 -14.935 1.00 0.35 H new ATOM 0 HB THR A 43 5.846 7.331 -16.533 1.00 0.42 H new ATOM 0 HG1 THR A 43 6.605 9.497 -16.088 1.00 0.52 H new ATOM 0 HG21 THR A 43 4.301 9.024 -15.598 1.00 0.46 H new ATOM 0 HG22 THR A 43 3.941 7.401 -14.964 1.00 0.46 H new ATOM 0 HG23 THR A 43 4.810 8.578 -13.952 1.00 0.46 H new ATOM 663 N TRP A 44 5.488 6.781 -12.462 1.00 0.28 N ATOM 664 CA TRP A 44 5.459 7.125 -11.010 1.00 0.27 C ATOM 665 C TRP A 44 6.491 6.277 -10.258 1.00 0.23 C ATOM 666 O TRP A 44 7.278 6.799 -9.494 1.00 0.23 O ATOM 667 CB TRP A 44 4.028 6.804 -10.548 1.00 0.31 C ATOM 668 CG TRP A 44 3.996 6.587 -9.066 1.00 0.29 C ATOM 669 CD1 TRP A 44 4.222 5.403 -8.455 1.00 0.31 C ATOM 670 CD2 TRP A 44 3.731 7.550 -8.004 1.00 0.29 C ATOM 671 NE1 TRP A 44 4.114 5.573 -7.089 1.00 0.33 N ATOM 672 CE2 TRP A 44 3.810 6.879 -6.759 1.00 0.31 C ATOM 673 CE3 TRP A 44 3.431 8.924 -7.996 1.00 0.32 C ATOM 674 CZ2 TRP A 44 3.602 7.547 -5.553 1.00 0.35 C ATOM 675 CZ3 TRP A 44 3.221 9.600 -6.782 1.00 0.36 C ATOM 676 CH2 TRP A 44 3.306 8.911 -5.563 1.00 0.37 C ATOM 0 H TRP A 44 4.612 6.417 -12.836 1.00 0.28 H new ATOM 0 HA TRP A 44 5.709 8.169 -10.819 1.00 0.27 H new ATOM 0 HB2 TRP A 44 3.360 7.622 -10.817 1.00 0.31 H new ATOM 0 HB3 TRP A 44 3.664 5.913 -11.061 1.00 0.31 H new ATOM 0 HD1 TRP A 44 4.450 4.473 -8.955 1.00 0.31 H new ATOM 0 HE1 TRP A 44 4.243 4.825 -6.407 1.00 0.33 H new ATOM 0 HE3 TRP A 44 3.362 9.463 -8.929 1.00 0.32 H new ATOM 0 HZ2 TRP A 44 3.669 7.012 -4.617 1.00 0.35 H new ATOM 0 HZ3 TRP A 44 2.993 10.656 -6.788 1.00 0.36 H new ATOM 0 HH2 TRP A 44 3.143 9.435 -4.633 1.00 0.37 H new ATOM 687 N PHE A 45 6.499 4.978 -10.467 1.00 0.23 N ATOM 688 CA PHE A 45 7.493 4.126 -9.748 1.00 0.22 C ATOM 689 C PHE A 45 8.912 4.413 -10.239 1.00 0.22 C ATOM 690 O PHE A 45 9.854 4.153 -9.540 1.00 0.26 O ATOM 691 CB PHE A 45 7.121 2.663 -10.015 1.00 0.27 C ATOM 692 CG PHE A 45 7.604 1.789 -8.860 1.00 0.25 C ATOM 693 CD1 PHE A 45 8.392 2.334 -7.827 1.00 0.25 C ATOM 694 CD2 PHE A 45 7.252 0.434 -8.817 1.00 0.28 C ATOM 695 CE1 PHE A 45 8.816 1.528 -6.766 1.00 0.27 C ATOM 696 CE2 PHE A 45 7.681 -0.371 -7.753 1.00 0.30 C ATOM 697 CZ PHE A 45 8.462 0.176 -6.728 1.00 0.29 C ATOM 0 H PHE A 45 5.868 4.481 -11.096 1.00 0.23 H new ATOM 0 HA PHE A 45 7.471 4.341 -8.680 1.00 0.22 H new ATOM 0 HB2 PHE A 45 6.041 2.567 -10.129 1.00 0.27 H new ATOM 0 HB3 PHE A 45 7.571 2.328 -10.950 1.00 0.27 H new ATOM 0 HD1 PHE A 45 8.669 3.377 -7.855 1.00 0.25 H new ATOM 0 HD2 PHE A 45 6.649 0.009 -9.605 1.00 0.28 H new ATOM 0 HE1 PHE A 45 9.418 1.950 -5.975 1.00 0.27 H new ATOM 0 HE2 PHE A 45 7.408 -1.416 -7.724 1.00 0.30 H new ATOM 0 HZ PHE A 45 8.791 -0.446 -5.909 1.00 0.29 H new ATOM 707 N CYS A 46 9.091 4.962 -11.416 1.00 0.25 N ATOM 708 CA CYS A 46 10.485 5.265 -11.870 1.00 0.28 C ATOM 709 C CYS A 46 11.151 6.167 -10.819 1.00 0.25 C ATOM 710 O CYS A 46 12.179 5.829 -10.244 1.00 0.27 O ATOM 711 CB CYS A 46 10.336 5.996 -13.210 1.00 0.33 C ATOM 712 SG CYS A 46 11.525 5.325 -14.398 1.00 1.01 S ATOM 0 H CYS A 46 8.349 5.209 -12.071 1.00 0.25 H new ATOM 0 HA CYS A 46 11.101 4.373 -11.987 1.00 0.28 H new ATOM 0 HB2 CYS A 46 9.321 5.879 -13.589 1.00 0.33 H new ATOM 0 HB3 CYS A 46 10.504 7.064 -13.074 1.00 0.33 H new ATOM 0 HG CYS A 46 11.398 5.942 -15.535 1.00 1.01 H new ATOM 718 N ALA A 47 10.538 7.292 -10.534 1.00 0.25 N ATOM 719 CA ALA A 47 11.090 8.213 -9.495 1.00 0.26 C ATOM 720 C ALA A 47 10.820 7.651 -8.089 1.00 0.23 C ATOM 721 O ALA A 47 11.517 7.974 -7.145 1.00 0.28 O ATOM 722 CB ALA A 47 10.344 9.534 -9.694 1.00 0.31 C ATOM 0 H ALA A 47 9.677 7.611 -10.979 1.00 0.25 H new ATOM 0 HA ALA A 47 12.169 8.337 -9.588 1.00 0.26 H new ATOM 0 HB1 ALA A 47 10.696 10.264 -8.965 1.00 0.31 H new ATOM 0 HB2 ALA A 47 10.529 9.908 -10.701 1.00 0.31 H new ATOM 0 HB3 ALA A 47 9.275 9.372 -9.558 1.00 0.31 H new ATOM 728 N ARG A 48 9.821 6.806 -7.945 1.00 0.21 N ATOM 729 CA ARG A 48 9.513 6.215 -6.605 1.00 0.21 C ATOM 730 C ARG A 48 10.335 4.934 -6.379 1.00 0.21 C ATOM 731 O ARG A 48 10.401 4.418 -5.281 1.00 0.26 O ATOM 732 CB ARG A 48 8.014 5.893 -6.635 1.00 0.24 C ATOM 733 CG ARG A 48 7.227 7.018 -5.955 1.00 0.28 C ATOM 734 CD ARG A 48 7.126 8.226 -6.893 1.00 0.28 C ATOM 735 NE ARG A 48 7.558 9.391 -6.071 1.00 0.42 N ATOM 736 CZ ARG A 48 6.679 10.066 -5.380 1.00 0.54 C ATOM 737 NH1 ARG A 48 6.288 9.627 -4.211 1.00 0.60 N ATOM 738 NH2 ARG A 48 6.194 11.183 -5.855 1.00 0.79 N ATOM 0 H ARG A 48 9.207 6.502 -8.701 1.00 0.21 H new ATOM 0 HA ARG A 48 9.764 6.899 -5.794 1.00 0.21 H new ATOM 0 HB2 ARG A 48 7.679 5.774 -7.665 1.00 0.24 H new ATOM 0 HB3 ARG A 48 7.826 4.947 -6.127 1.00 0.24 H new ATOM 0 HG2 ARG A 48 6.229 6.667 -5.691 1.00 0.28 H new ATOM 0 HG3 ARG A 48 7.719 7.308 -5.027 1.00 0.28 H new ATOM 0 HD2 ARG A 48 7.765 8.101 -7.767 1.00 0.28 H new ATOM 0 HD3 ARG A 48 6.108 8.357 -7.259 1.00 0.28 H new ATOM 0 HE ARG A 48 8.541 9.662 -6.048 1.00 0.42 H new ATOM 0 HH11 ARG A 48 6.670 8.757 -3.839 1.00 0.60 H new ATOM 0 HH12 ARG A 48 5.602 10.154 -3.672 1.00 0.60 H new ATOM 0 HH21 ARG A 48 6.502 11.527 -6.765 1.00 0.79 H new ATOM 0 HH22 ARG A 48 5.507 11.711 -5.316 1.00 0.79 H new ATOM 752 N TYR A 49 10.970 4.431 -7.409 1.00 0.20 N ATOM 753 CA TYR A 49 11.804 3.201 -7.271 1.00 0.22 C ATOM 754 C TYR A 49 13.073 3.579 -6.535 1.00 0.23 C ATOM 755 O TYR A 49 13.420 3.016 -5.517 1.00 0.28 O ATOM 756 CB TYR A 49 12.160 2.794 -8.704 1.00 0.24 C ATOM 757 CG TYR A 49 11.418 1.544 -9.114 1.00 0.27 C ATOM 758 CD1 TYR A 49 11.479 0.396 -8.315 1.00 0.29 C ATOM 759 CD2 TYR A 49 10.681 1.527 -10.305 1.00 0.31 C ATOM 760 CE1 TYR A 49 10.803 -0.766 -8.704 1.00 0.33 C ATOM 761 CE2 TYR A 49 10.006 0.366 -10.696 1.00 0.35 C ATOM 762 CZ TYR A 49 10.067 -0.781 -9.896 1.00 0.35 C ATOM 763 OH TYR A 49 9.400 -1.927 -10.280 1.00 0.40 O ATOM 0 H TYR A 49 10.944 4.826 -8.349 1.00 0.20 H new ATOM 0 HA TYR A 49 11.297 2.400 -6.733 1.00 0.22 H new ATOM 0 HB2 TYR A 49 11.915 3.607 -9.388 1.00 0.24 H new ATOM 0 HB3 TYR A 49 13.234 2.625 -8.781 1.00 0.24 H new ATOM 0 HD1 TYR A 49 12.048 0.407 -7.397 1.00 0.29 H new ATOM 0 HD2 TYR A 49 10.634 2.412 -10.922 1.00 0.31 H new ATOM 0 HE1 TYR A 49 10.849 -1.650 -8.086 1.00 0.33 H new ATOM 0 HE2 TYR A 49 9.438 0.355 -11.615 1.00 0.35 H new ATOM 0 HH TYR A 49 8.938 -1.768 -11.129 1.00 0.40 H new ATOM 773 N ALA A 50 13.754 4.558 -7.065 1.00 0.22 N ATOM 774 CA ALA A 50 15.011 5.042 -6.438 1.00 0.25 C ATOM 775 C ALA A 50 14.704 5.682 -5.089 1.00 0.24 C ATOM 776 O ALA A 50 15.351 5.404 -4.098 1.00 0.28 O ATOM 777 CB ALA A 50 15.521 6.087 -7.409 1.00 0.27 C ATOM 0 H ALA A 50 13.486 5.048 -7.918 1.00 0.22 H new ATOM 0 HA ALA A 50 15.733 4.246 -6.257 1.00 0.25 H new ATOM 0 HB1 ALA A 50 16.454 6.508 -7.034 1.00 0.27 H new ATOM 0 HB2 ALA A 50 15.697 5.626 -8.381 1.00 0.27 H new ATOM 0 HB3 ALA A 50 14.780 6.880 -7.512 1.00 0.27 H new ATOM 783 N TRP A 51 13.711 6.536 -5.049 1.00 0.22 N ATOM 784 CA TRP A 51 13.333 7.197 -3.768 1.00 0.22 C ATOM 785 C TRP A 51 13.091 6.126 -2.703 1.00 0.21 C ATOM 786 O TRP A 51 13.697 6.144 -1.656 1.00 0.25 O ATOM 787 CB TRP A 51 12.046 7.967 -4.088 1.00 0.23 C ATOM 788 CG TRP A 51 11.169 8.051 -2.868 1.00 0.22 C ATOM 789 CD1 TRP A 51 11.424 8.788 -1.761 1.00 0.28 C ATOM 790 CD2 TRP A 51 9.905 7.369 -2.617 1.00 0.21 C ATOM 791 NE1 TRP A 51 10.396 8.599 -0.851 1.00 0.27 N ATOM 792 CE2 TRP A 51 9.432 7.735 -1.337 1.00 0.22 C ATOM 793 CE3 TRP A 51 9.133 6.478 -3.376 1.00 0.25 C ATOM 794 CZ2 TRP A 51 8.226 7.229 -0.833 1.00 0.24 C ATOM 795 CZ3 TRP A 51 7.928 5.970 -2.875 1.00 0.30 C ATOM 796 CH2 TRP A 51 7.475 6.345 -1.608 1.00 0.28 C ATOM 0 H TRP A 51 13.145 6.803 -5.854 1.00 0.22 H new ATOM 0 HA TRP A 51 14.105 7.863 -3.382 1.00 0.22 H new ATOM 0 HB2 TRP A 51 12.292 8.970 -4.437 1.00 0.23 H new ATOM 0 HB3 TRP A 51 11.509 7.471 -4.896 1.00 0.23 H new ATOM 0 HD1 TRP A 51 12.287 9.420 -1.612 1.00 0.28 H new ATOM 0 HE1 TRP A 51 10.355 9.043 0.066 1.00 0.27 H new ATOM 0 HE3 TRP A 51 9.471 6.180 -4.357 1.00 0.25 H new ATOM 0 HZ2 TRP A 51 7.881 7.521 0.148 1.00 0.24 H new ATOM 0 HZ3 TRP A 51 7.345 5.284 -3.472 1.00 0.30 H new ATOM 0 HH2 TRP A 51 6.544 5.951 -1.229 1.00 0.28 H new ATOM 807 N TYR A 52 12.220 5.189 -2.980 1.00 0.21 N ATOM 808 CA TYR A 52 11.942 4.108 -1.993 1.00 0.22 C ATOM 809 C TYR A 52 13.216 3.287 -1.733 1.00 0.24 C ATOM 810 O TYR A 52 13.452 2.833 -0.631 1.00 0.29 O ATOM 811 CB TYR A 52 10.860 3.242 -2.642 1.00 0.26 C ATOM 812 CG TYR A 52 10.659 1.996 -1.820 1.00 0.27 C ATOM 813 CD1 TYR A 52 9.773 2.005 -0.737 1.00 0.31 C ATOM 814 CD2 TYR A 52 11.370 0.834 -2.136 1.00 0.36 C ATOM 815 CE1 TYR A 52 9.598 0.848 0.029 1.00 0.35 C ATOM 816 CE2 TYR A 52 11.196 -0.320 -1.372 1.00 0.41 C ATOM 817 CZ TYR A 52 10.311 -0.315 -0.292 1.00 0.37 C ATOM 818 OH TYR A 52 10.141 -1.460 0.453 1.00 0.44 O ATOM 0 H TYR A 52 11.690 5.128 -3.849 1.00 0.21 H new ATOM 0 HA TYR A 52 11.618 4.501 -1.029 1.00 0.22 H new ATOM 0 HB2 TYR A 52 9.926 3.799 -2.713 1.00 0.26 H new ATOM 0 HB3 TYR A 52 11.151 2.978 -3.659 1.00 0.26 H new ATOM 0 HD1 TYR A 52 9.225 2.903 -0.493 1.00 0.31 H new ATOM 0 HD2 TYR A 52 12.054 0.830 -2.972 1.00 0.36 H new ATOM 0 HE1 TYR A 52 8.915 0.851 0.866 1.00 0.35 H new ATOM 0 HE2 TYR A 52 11.746 -1.217 -1.616 1.00 0.41 H new ATOM 0 HH TYR A 52 9.338 -1.932 0.149 1.00 0.44 H new ATOM 828 N CYS A 53 14.032 3.095 -2.741 1.00 0.25 N ATOM 829 CA CYS A 53 15.288 2.303 -2.560 1.00 0.29 C ATOM 830 C CYS A 53 16.213 2.968 -1.529 1.00 0.30 C ATOM 831 O CYS A 53 16.773 2.305 -0.678 1.00 0.34 O ATOM 832 CB CYS A 53 15.947 2.281 -3.943 1.00 0.32 C ATOM 833 SG CYS A 53 17.526 1.402 -3.847 1.00 0.41 S ATOM 0 H CYS A 53 13.881 3.454 -3.684 1.00 0.25 H new ATOM 0 HA CYS A 53 15.084 1.299 -2.187 1.00 0.29 H new ATOM 0 HB2 CYS A 53 15.290 1.792 -4.663 1.00 0.32 H new ATOM 0 HB3 CYS A 53 16.107 3.299 -4.297 1.00 0.32 H new ATOM 0 HG CYS A 53 18.084 1.382 -5.021 1.00 0.41 H new ATOM 839 N GLN A 54 16.390 4.267 -1.608 1.00 0.29 N ATOM 840 CA GLN A 54 17.299 4.962 -0.637 1.00 0.32 C ATOM 841 C GLN A 54 16.605 5.244 0.711 1.00 0.31 C ATOM 842 O GLN A 54 17.250 5.257 1.743 1.00 0.33 O ATOM 843 CB GLN A 54 17.712 6.266 -1.335 1.00 0.35 C ATOM 844 CG GLN A 54 16.549 7.266 -1.338 1.00 0.34 C ATOM 845 CD GLN A 54 16.654 8.191 -0.121 1.00 0.39 C ATOM 846 OE1 GLN A 54 15.673 8.442 0.550 1.00 0.43 O ATOM 847 NE2 GLN A 54 17.808 8.718 0.195 1.00 0.46 N ATOM 0 H GLN A 54 15.947 4.874 -2.298 1.00 0.29 H new ATOM 0 HA GLN A 54 18.159 4.340 -0.388 1.00 0.32 H new ATOM 0 HB2 GLN A 54 18.572 6.701 -0.826 1.00 0.35 H new ATOM 0 HB3 GLN A 54 18.021 6.055 -2.359 1.00 0.35 H new ATOM 0 HG2 GLN A 54 16.566 7.854 -2.255 1.00 0.34 H new ATOM 0 HG3 GLN A 54 15.599 6.732 -1.319 1.00 0.34 H new ATOM 0 HE21 GLN A 54 18.634 8.510 -0.366 1.00 0.46 H new ATOM 0 HE22 GLN A 54 17.882 9.337 1.002 1.00 0.46 H new ATOM 856 N GLN A 55 15.310 5.477 0.724 1.00 0.30 N ATOM 857 CA GLN A 55 14.622 5.766 2.030 1.00 0.30 C ATOM 858 C GLN A 55 14.321 4.473 2.803 1.00 0.30 C ATOM 859 O GLN A 55 14.427 4.444 4.012 1.00 0.35 O ATOM 860 CB GLN A 55 13.320 6.520 1.696 1.00 0.31 C ATOM 861 CG GLN A 55 12.483 5.740 0.680 1.00 0.26 C ATOM 862 CD GLN A 55 11.304 5.062 1.380 1.00 0.27 C ATOM 863 OE1 GLN A 55 11.426 4.597 2.495 1.00 0.35 O ATOM 864 NE2 GLN A 55 10.157 4.984 0.764 1.00 0.28 N ATOM 0 H GLN A 55 14.707 5.480 -0.099 1.00 0.30 H new ATOM 0 HA GLN A 55 15.266 6.367 2.672 1.00 0.30 H new ATOM 0 HB2 GLN A 55 12.742 6.676 2.607 1.00 0.31 H new ATOM 0 HB3 GLN A 55 13.558 7.506 1.297 1.00 0.31 H new ATOM 0 HG2 GLN A 55 12.117 6.414 -0.095 1.00 0.26 H new ATOM 0 HG3 GLN A 55 13.102 4.991 0.186 1.00 0.26 H new ATOM 0 HE21 GLN A 55 10.054 5.374 -0.173 1.00 0.28 H new ATOM 0 HE22 GLN A 55 9.363 4.533 1.219 1.00 0.28 H new ATOM 873 N MET A 56 13.950 3.407 2.129 1.00 0.29 N ATOM 874 CA MET A 56 13.652 2.133 2.862 1.00 0.31 C ATOM 875 C MET A 56 14.950 1.487 3.356 1.00 0.33 C ATOM 876 O MET A 56 15.005 0.967 4.454 1.00 0.37 O ATOM 877 CB MET A 56 12.947 1.222 1.866 1.00 0.32 C ATOM 878 CG MET A 56 11.767 0.537 2.562 1.00 0.35 C ATOM 879 SD MET A 56 12.328 -1.011 3.313 1.00 0.51 S ATOM 880 CE MET A 56 11.417 -0.857 4.869 1.00 0.87 C ATOM 0 H MET A 56 13.842 3.364 1.116 1.00 0.29 H new ATOM 0 HA MET A 56 13.029 2.315 3.738 1.00 0.31 H new ATOM 0 HB2 MET A 56 12.596 1.800 1.011 1.00 0.32 H new ATOM 0 HB3 MET A 56 13.642 0.475 1.482 1.00 0.32 H new ATOM 0 HG2 MET A 56 11.350 1.194 3.325 1.00 0.35 H new ATOM 0 HG3 MET A 56 10.972 0.338 1.843 1.00 0.35 H new ATOM 0 HE1 MET A 56 11.279 -1.845 5.309 1.00 0.87 H new ATOM 0 HE2 MET A 56 11.979 -0.228 5.559 1.00 0.87 H new ATOM 0 HE3 MET A 56 10.443 -0.406 4.677 1.00 0.87 H new ATOM 890 N MET A 57 16.000 1.526 2.565 1.00 0.35 N ATOM 891 CA MET A 57 17.296 0.924 3.013 1.00 0.39 C ATOM 892 C MET A 57 17.838 1.710 4.218 1.00 0.39 C ATOM 893 O MET A 57 18.498 1.160 5.080 1.00 0.45 O ATOM 894 CB MET A 57 18.248 1.011 1.807 1.00 0.42 C ATOM 895 CG MET A 57 18.703 2.457 1.578 1.00 0.41 C ATOM 896 SD MET A 57 20.285 2.737 2.415 1.00 0.52 S ATOM 897 CE MET A 57 20.826 4.142 1.409 1.00 0.72 C ATOM 0 H MET A 57 16.014 1.946 1.636 1.00 0.35 H new ATOM 0 HA MET A 57 17.183 -0.112 3.332 1.00 0.39 H new ATOM 0 HB2 MET A 57 19.116 0.374 1.976 1.00 0.42 H new ATOM 0 HB3 MET A 57 17.747 0.637 0.914 1.00 0.42 H new ATOM 0 HG2 MET A 57 18.806 2.652 0.510 1.00 0.41 H new ATOM 0 HG3 MET A 57 17.952 3.150 1.958 1.00 0.41 H new ATOM 0 HE1 MET A 57 21.801 4.485 1.757 1.00 0.72 H new ATOM 0 HE2 MET A 57 20.900 3.835 0.366 1.00 0.72 H new ATOM 0 HE3 MET A 57 20.103 4.953 1.498 1.00 0.72 H new ATOM 907 N GLN A 58 17.534 2.988 4.293 1.00 0.38 N ATOM 908 CA GLN A 58 17.995 3.812 5.453 1.00 0.41 C ATOM 909 C GLN A 58 16.906 3.842 6.540 1.00 0.40 C ATOM 910 O GLN A 58 17.093 4.408 7.601 1.00 0.44 O ATOM 911 CB GLN A 58 18.226 5.217 4.888 1.00 0.47 C ATOM 912 CG GLN A 58 19.713 5.567 4.970 1.00 0.77 C ATOM 913 CD GLN A 58 19.912 7.031 4.575 1.00 1.30 C ATOM 914 OE1 GLN A 58 20.265 7.326 3.451 1.00 1.78 O ATOM 915 NE2 GLN A 58 19.696 7.969 5.460 1.00 1.93 N ATOM 0 H GLN A 58 16.985 3.493 3.597 1.00 0.38 H new ATOM 0 HA GLN A 58 18.899 3.409 5.911 1.00 0.41 H new ATOM 0 HB2 GLN A 58 17.888 5.263 3.853 1.00 0.47 H new ATOM 0 HB3 GLN A 58 17.639 5.946 5.448 1.00 0.47 H new ATOM 0 HG2 GLN A 58 20.083 5.398 5.981 1.00 0.77 H new ATOM 0 HG3 GLN A 58 20.288 4.919 4.308 1.00 0.77 H new ATOM 0 HE21 GLN A 58 19.400 7.721 6.404 1.00 1.93 H new ATOM 0 HE22 GLN A 58 19.824 8.949 5.206 1.00 1.93 H new ATOM 924 N ALA A 59 15.775 3.221 6.281 1.00 0.37 N ATOM 925 CA ALA A 59 14.674 3.187 7.281 1.00 0.39 C ATOM 926 C ALA A 59 14.709 1.838 7.992 1.00 0.43 C ATOM 927 O ALA A 59 14.865 1.771 9.197 1.00 0.47 O ATOM 928 CB ALA A 59 13.385 3.337 6.462 1.00 0.44 C ATOM 0 H ALA A 59 15.574 2.734 5.408 1.00 0.37 H new ATOM 0 HA ALA A 59 14.753 3.968 8.037 1.00 0.39 H new ATOM 0 HB1 ALA A 59 12.525 3.321 7.131 1.00 0.44 H new ATOM 0 HB2 ALA A 59 13.406 4.283 5.920 1.00 0.44 H new ATOM 0 HB3 ALA A 59 13.307 2.514 5.752 1.00 0.44 H new ATOM 934 N ARG A 60 14.593 0.762 7.238 1.00 0.48 N ATOM 935 CA ARG A 60 14.639 -0.608 7.834 1.00 0.58 C ATOM 936 C ARG A 60 13.789 -0.651 9.115 1.00 0.63 C ATOM 937 O ARG A 60 14.298 -0.707 10.220 1.00 0.74 O ATOM 938 CB ARG A 60 16.134 -0.841 8.108 1.00 0.64 C ATOM 939 CG ARG A 60 16.356 -2.172 8.837 1.00 0.80 C ATOM 940 CD ARG A 60 16.050 -3.339 7.892 1.00 0.98 C ATOM 941 NE ARG A 60 15.015 -4.147 8.598 1.00 1.01 N ATOM 942 CZ ARG A 60 13.839 -4.327 8.057 1.00 1.09 C ATOM 943 NH1 ARG A 60 13.722 -5.072 6.988 1.00 1.71 N ATOM 944 NH2 ARG A 60 12.780 -3.770 8.586 1.00 1.17 N ATOM 0 H ARG A 60 14.467 0.782 6.226 1.00 0.48 H new ATOM 0 HA ARG A 60 14.229 -1.385 7.189 1.00 0.58 H new ATOM 0 HB2 ARG A 60 16.685 -0.841 7.167 1.00 0.64 H new ATOM 0 HB3 ARG A 60 16.530 -0.022 8.709 1.00 0.64 H new ATOM 0 HG2 ARG A 60 17.386 -2.237 9.189 1.00 0.80 H new ATOM 0 HG3 ARG A 60 15.715 -2.227 9.717 1.00 0.80 H new ATOM 0 HD2 ARG A 60 15.683 -2.982 6.930 1.00 0.98 H new ATOM 0 HD3 ARG A 60 16.944 -3.930 7.693 1.00 0.98 H new ATOM 0 HE ARG A 60 15.225 -4.561 9.506 1.00 1.01 H new ATOM 0 HH11 ARG A 60 14.547 -5.510 6.579 1.00 1.71 H new ATOM 0 HH12 ARG A 60 12.806 -5.214 6.563 1.00 1.71 H new ATOM 0 HH21 ARG A 60 12.871 -3.194 9.423 1.00 1.17 H new ATOM 0 HH22 ARG A 60 11.863 -3.912 8.162 1.00 1.17 H new ATOM 958 N GLU A 61 12.489 -0.601 8.961 1.00 0.69 N ATOM 959 CA GLU A 61 11.584 -0.615 10.148 1.00 0.79 C ATOM 960 C GLU A 61 10.357 -1.489 9.878 1.00 1.09 C ATOM 961 O GLU A 61 9.554 -1.189 9.012 1.00 1.12 O ATOM 962 CB GLU A 61 11.163 0.846 10.334 1.00 0.70 C ATOM 963 CG GLU A 61 11.292 1.238 11.808 1.00 0.82 C ATOM 964 CD GLU A 61 12.585 2.030 12.014 1.00 1.18 C ATOM 965 OE1 GLU A 61 12.554 3.236 11.828 1.00 1.53 O ATOM 966 OE2 GLU A 61 13.586 1.418 12.352 1.00 1.65 O ATOM 0 H GLU A 61 12.015 -0.551 8.059 1.00 0.69 H new ATOM 0 HA GLU A 61 12.073 -1.023 11.032 1.00 0.79 H new ATOM 0 HB2 GLU A 61 11.787 1.495 9.719 1.00 0.70 H new ATOM 0 HB3 GLU A 61 10.134 0.983 10.000 1.00 0.70 H new ATOM 0 HG2 GLU A 61 10.434 1.837 12.113 1.00 0.82 H new ATOM 0 HG3 GLU A 61 11.296 0.345 12.434 1.00 0.82 H new ATOM 973 N LEU A 62 10.202 -2.557 10.630 1.00 1.56 N ATOM 974 CA LEU A 62 9.019 -3.467 10.458 1.00 1.94 C ATOM 975 C LEU A 62 9.049 -4.178 9.099 1.00 1.54 C ATOM 976 O LEU A 62 9.564 -3.664 8.124 1.00 1.05 O ATOM 977 CB LEU A 62 7.792 -2.543 10.565 1.00 2.24 C ATOM 978 CG LEU A 62 6.592 -3.279 11.179 1.00 2.95 C ATOM 979 CD1 LEU A 62 5.878 -4.096 10.100 1.00 2.81 C ATOM 980 CD2 LEU A 62 7.060 -4.210 12.303 1.00 3.41 C ATOM 0 H LEU A 62 10.852 -2.840 11.364 1.00 1.56 H new ATOM 0 HA LEU A 62 9.008 -4.259 11.207 1.00 1.94 H new ATOM 0 HB2 LEU A 62 8.040 -1.675 11.175 1.00 2.24 H new ATOM 0 HB3 LEU A 62 7.526 -2.172 9.575 1.00 2.24 H new ATOM 0 HG LEU A 62 5.903 -2.543 11.592 1.00 2.95 H new ATOM 0 HD11 LEU A 62 5.028 -4.616 10.541 1.00 2.81 H new ATOM 0 HD12 LEU A 62 5.527 -3.430 9.312 1.00 2.81 H new ATOM 0 HD13 LEU A 62 6.570 -4.825 9.678 1.00 2.81 H new ATOM 0 HD21 LEU A 62 6.200 -4.726 12.730 1.00 3.41 H new ATOM 0 HD22 LEU A 62 7.760 -4.943 11.901 1.00 3.41 H new ATOM 0 HD23 LEU A 62 7.554 -3.624 13.079 1.00 3.41 H new ATOM 992 N GLU A 63 8.481 -5.361 9.031 1.00 1.87 N ATOM 993 CA GLU A 63 8.449 -6.117 7.738 1.00 1.65 C ATOM 994 C GLU A 63 7.697 -5.304 6.674 1.00 1.13 C ATOM 995 O GLU A 63 7.055 -4.313 6.978 1.00 1.28 O ATOM 996 CB GLU A 63 7.702 -7.424 8.043 1.00 2.16 C ATOM 997 CG GLU A 63 6.247 -7.124 8.435 1.00 2.33 C ATOM 998 CD GLU A 63 5.292 -7.743 7.410 1.00 2.32 C ATOM 999 OE1 GLU A 63 5.040 -7.102 6.402 1.00 2.02 O ATOM 1000 OE2 GLU A 63 4.825 -8.843 7.652 1.00 2.71 O ATOM 0 H GLU A 63 8.038 -5.835 9.818 1.00 1.87 H new ATOM 0 HA GLU A 63 9.450 -6.309 7.351 1.00 1.65 H new ATOM 0 HB2 GLU A 63 7.724 -8.076 7.170 1.00 2.16 H new ATOM 0 HB3 GLU A 63 8.202 -7.957 8.852 1.00 2.16 H new ATOM 0 HG2 GLU A 63 6.039 -7.525 9.427 1.00 2.33 H new ATOM 0 HG3 GLU A 63 6.090 -6.047 8.487 1.00 2.33 H new ATOM 1007 N LEU A 64 7.775 -5.704 5.433 1.00 0.99 N ATOM 1008 CA LEU A 64 7.073 -4.940 4.372 1.00 0.85 C ATOM 1009 C LEU A 64 6.009 -5.794 3.679 1.00 0.79 C ATOM 1010 O LEU A 64 6.025 -7.009 3.750 1.00 1.04 O ATOM 1011 CB LEU A 64 8.172 -4.547 3.402 1.00 1.37 C ATOM 1012 CG LEU A 64 7.730 -3.315 2.628 1.00 1.78 C ATOM 1013 CD1 LEU A 64 8.834 -2.261 2.688 1.00 2.48 C ATOM 1014 CD2 LEU A 64 7.458 -3.718 1.182 1.00 1.91 C ATOM 0 H LEU A 64 8.292 -6.523 5.113 1.00 0.99 H new ATOM 0 HA LEU A 64 6.541 -4.077 4.772 1.00 0.85 H new ATOM 0 HB2 LEU A 64 9.096 -4.341 3.943 1.00 1.37 H new ATOM 0 HB3 LEU A 64 8.381 -5.368 2.716 1.00 1.37 H new ATOM 0 HG LEU A 64 6.822 -2.897 3.062 1.00 1.78 H new ATOM 0 HD11 LEU A 64 8.522 -1.375 2.134 1.00 2.48 H new ATOM 0 HD12 LEU A 64 9.024 -1.991 3.727 1.00 2.48 H new ATOM 0 HD13 LEU A 64 9.745 -2.663 2.245 1.00 2.48 H new ATOM 0 HD21 LEU A 64 7.140 -2.844 0.614 1.00 1.91 H new ATOM 0 HD22 LEU A 64 8.367 -4.126 0.741 1.00 1.91 H new ATOM 0 HD23 LEU A 64 6.672 -4.473 1.156 1.00 1.91 H new ATOM 1026 N GLU A 65 5.079 -5.144 3.020 1.00 0.88 N ATOM 1027 CA GLU A 65 3.971 -5.854 2.315 1.00 0.82 C ATOM 1028 C GLU A 65 3.105 -6.604 3.330 1.00 1.04 C ATOM 1029 O GLU A 65 3.443 -7.691 3.766 1.00 1.25 O ATOM 1030 CB GLU A 65 4.624 -6.828 1.328 1.00 0.95 C ATOM 1031 CG GLU A 65 3.762 -6.913 0.063 1.00 1.16 C ATOM 1032 CD GLU A 65 2.364 -7.438 0.416 1.00 0.99 C ATOM 1033 OE1 GLU A 65 2.259 -8.597 0.784 1.00 1.16 O ATOM 1034 OE2 GLU A 65 1.421 -6.668 0.316 1.00 1.06 O ATOM 0 H GLU A 65 5.044 -4.128 2.941 1.00 0.88 H new ATOM 0 HA GLU A 65 3.323 -5.155 1.786 1.00 0.82 H new ATOM 0 HB2 GLU A 65 5.629 -6.490 1.076 1.00 0.95 H new ATOM 0 HB3 GLU A 65 4.723 -7.814 1.782 1.00 0.95 H new ATOM 0 HG2 GLU A 65 3.684 -5.930 -0.401 1.00 1.16 H new ATOM 0 HG3 GLU A 65 4.234 -7.572 -0.665 1.00 1.16 H new ATOM 1041 N HIS A 66 1.990 -6.025 3.710 1.00 1.49 N ATOM 1042 CA HIS A 66 1.082 -6.683 4.702 1.00 2.06 C ATOM 1043 C HIS A 66 1.833 -6.953 6.020 1.00 2.38 C ATOM 1044 O HIS A 66 2.041 -8.111 6.353 1.00 2.79 O ATOM 1045 CB HIS A 66 0.627 -7.986 4.021 1.00 1.95 C ATOM 1046 CG HIS A 66 -0.611 -7.727 3.205 1.00 2.04 C ATOM 1047 ND1 HIS A 66 -1.522 -8.729 2.911 1.00 2.43 N ATOM 1048 CD2 HIS A 66 -1.104 -6.588 2.614 1.00 2.06 C ATOM 1049 CE1 HIS A 66 -2.506 -8.179 2.177 1.00 2.58 C ATOM 1050 NE2 HIS A 66 -2.301 -6.877 1.967 1.00 2.28 N ATOM 1051 OXT HIS A 66 2.192 -5.987 6.676 1.00 2.40 O ATOM 0 H HIS A 66 1.668 -5.118 3.372 1.00 1.49 H new ATOM 0 HA HIS A 66 0.228 -6.060 4.969 1.00 2.06 H new ATOM 0 HB2 HIS A 66 1.422 -8.370 3.382 1.00 1.95 H new ATOM 0 HB3 HIS A 66 0.426 -8.749 4.773 1.00 1.95 H new ATOM 0 HD1 HIS A 66 -1.458 -9.705 3.199 1.00 2.43 H new ATOM 0 HD2 HIS A 66 -0.633 -5.616 2.647 1.00 2.06 H new ATOM 0 HE1 HIS A 66 -3.359 -8.725 1.803 1.00 2.58 H new TER 1059 HIS A 66