USER MOD reduce.3.24.130724 H: found=0, std=0, add=546, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 545 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 61 ASN : amide:sc= 0 X(o=-1.5,f=-1.2) USER MOD Set 1.2: A 66 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.4!) USER MOD Single : A 7 ASN : amide:sc= -2.59 K(o=-2.6,f=-6.5!) USER MOD Single : A 8 LYS NZ :NH3+ -167:sc= 0.728 (180deg=0.499) USER MOD Single : A 11 SER OG : rot 50:sc= 0.718 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.384 X(o=-0.38,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.268 X(o=-0.27,f=-0.046) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= -0.681 X(o=-0.68,f=-0.33) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 20:sc= 0.564 USER MOD Single : A 35 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.00052) USER MOD Single : A 41 GLN : amide:sc= -0.273 K(o=-0.27,f=-2.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=-0.036) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= -1.32 K(o=-1.3,f=-2!) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -3.68 X(o=-3.7,f=-3.4!) USER MOD Single : A 62 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 TYR OH : rot 165:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N PRO A 3 -11.874 12.785 -4.526 1.00 0.00 N ATOM 38 CA PRO A 3 -10.901 12.527 -3.436 1.00 0.00 C ATOM 39 C PRO A 3 -9.504 13.012 -3.834 1.00 0.00 C ATOM 40 O PRO A 3 -8.992 12.667 -4.884 1.00 0.00 O ATOM 41 CB PRO A 3 -10.907 11.007 -3.263 1.00 0.00 C ATOM 42 CG PRO A 3 -11.412 10.424 -4.594 1.00 0.00 C ATOM 43 CD PRO A 3 -12.163 11.555 -5.313 1.00 0.00 C ATOM 0 HA PRO A 3 -11.164 13.051 -2.517 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -9.908 10.638 -3.031 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.556 10.712 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -10.580 10.065 -5.200 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -12.070 9.572 -4.419 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -11.823 11.659 -6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.234 11.354 -5.349 1.00 0.00 H new ATOM 51 N ALA A 4 -8.886 13.806 -2.998 1.00 0.00 N ATOM 52 CA ALA A 4 -7.520 14.319 -3.311 1.00 0.00 C ATOM 53 C ALA A 4 -6.511 13.165 -3.297 1.00 0.00 C ATOM 54 O ALA A 4 -5.465 13.244 -3.913 1.00 0.00 O ATOM 55 CB ALA A 4 -7.116 15.359 -2.264 1.00 0.00 C ATOM 0 H ALA A 4 -9.271 14.122 -2.108 1.00 0.00 H new ATOM 0 HA ALA A 4 -7.528 14.776 -4.301 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -6.118 15.735 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -7.827 16.185 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -7.114 14.899 -1.276 1.00 0.00 H new ATOM 61 N PHE A 5 -6.812 12.099 -2.593 1.00 0.00 N ATOM 62 CA PHE A 5 -5.865 10.945 -2.533 1.00 0.00 C ATOM 63 C PHE A 5 -5.820 10.235 -3.892 1.00 0.00 C ATOM 64 O PHE A 5 -4.762 9.862 -4.361 1.00 0.00 O ATOM 65 CB PHE A 5 -6.326 9.962 -1.453 1.00 0.00 C ATOM 66 CG PHE A 5 -5.348 8.807 -1.353 1.00 0.00 C ATOM 67 CD1 PHE A 5 -4.138 8.966 -0.664 1.00 0.00 C ATOM 68 CD2 PHE A 5 -5.650 7.582 -1.961 1.00 0.00 C ATOM 69 CE1 PHE A 5 -3.233 7.899 -0.581 1.00 0.00 C ATOM 70 CE2 PHE A 5 -4.745 6.516 -1.878 1.00 0.00 C ATOM 71 CZ PHE A 5 -3.537 6.674 -1.190 1.00 0.00 C ATOM 0 H PHE A 5 -7.673 11.980 -2.058 1.00 0.00 H new ATOM 0 HA PHE A 5 -4.868 11.311 -2.290 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.399 10.472 -0.492 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.321 9.587 -1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.903 9.911 -0.197 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -6.581 7.459 -2.494 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -2.302 8.021 -0.048 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -4.980 5.571 -2.346 1.00 0.00 H new ATOM 0 HZ PHE A 5 -2.839 5.852 -1.128 1.00 0.00 H new ATOM 81 N VAL A 6 -6.955 10.029 -4.518 1.00 0.00 N ATOM 82 CA VAL A 6 -6.958 9.327 -5.838 1.00 0.00 C ATOM 83 C VAL A 6 -6.424 10.277 -6.913 1.00 0.00 C ATOM 84 O VAL A 6 -5.828 9.846 -7.882 1.00 0.00 O ATOM 85 CB VAL A 6 -8.373 8.861 -6.199 1.00 0.00 C ATOM 86 CG1 VAL A 6 -8.289 7.863 -7.359 1.00 0.00 C ATOM 87 CG2 VAL A 6 -9.013 8.168 -4.990 1.00 0.00 C ATOM 0 H VAL A 6 -7.872 10.315 -4.174 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.318 8.447 -5.777 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.977 9.722 -6.487 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -9.292 7.526 -7.622 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.830 8.346 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -7.686 7.006 -7.059 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -10.019 7.838 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.411 7.306 -4.704 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.065 8.867 -4.155 1.00 0.00 H new ATOM 97 N ASN A 7 -6.604 11.568 -6.740 1.00 0.00 N ATOM 98 CA ASN A 7 -6.066 12.535 -7.748 1.00 0.00 C ATOM 99 C ASN A 7 -4.543 12.417 -7.735 1.00 0.00 C ATOM 100 O ASN A 7 -3.896 12.356 -8.763 1.00 0.00 O ATOM 101 CB ASN A 7 -6.473 13.962 -7.373 1.00 0.00 C ATOM 102 CG ASN A 7 -7.992 14.041 -7.228 1.00 0.00 C ATOM 103 OD1 ASN A 7 -8.494 14.647 -6.303 1.00 0.00 O ATOM 104 ND2 ASN A 7 -8.751 13.453 -8.110 1.00 0.00 N ATOM 0 H ASN A 7 -7.096 11.989 -5.951 1.00 0.00 H new ATOM 0 HA ASN A 7 -6.463 12.312 -8.738 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -5.993 14.254 -6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.134 14.660 -8.138 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -9.766 13.502 -8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -8.330 12.944 -8.887 1.00 0.00 H new ATOM 111 N LYS A 8 -3.982 12.343 -6.558 1.00 0.00 N ATOM 112 CA LYS A 8 -2.508 12.180 -6.419 1.00 0.00 C ATOM 113 C LYS A 8 -2.137 10.759 -6.887 1.00 0.00 C ATOM 114 O LYS A 8 -1.032 10.511 -7.332 1.00 0.00 O ATOM 115 CB LYS A 8 -2.143 12.396 -4.933 1.00 0.00 C ATOM 116 CG LYS A 8 -0.750 11.829 -4.596 1.00 0.00 C ATOM 117 CD LYS A 8 -0.902 10.588 -3.707 1.00 0.00 C ATOM 118 CE LYS A 8 0.362 9.737 -3.799 1.00 0.00 C ATOM 119 NZ LYS A 8 1.511 10.497 -3.229 1.00 0.00 N ATOM 0 H LYS A 8 -4.491 12.389 -5.675 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.958 12.901 -7.024 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.166 13.462 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.892 11.918 -4.302 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.220 11.570 -5.513 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -0.153 12.584 -4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -1.077 10.887 -2.674 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -1.768 10.006 -4.022 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.225 8.802 -3.256 1.00 0.00 H new ATOM 0 HE3 LYS A 8 0.564 9.476 -4.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 2.401 10.024 -3.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 1.511 11.464 -3.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 1.423 10.534 -2.193 1.00 0.00 H new ATOM 133 N LEU A 9 -3.059 9.832 -6.785 1.00 0.00 N ATOM 134 CA LEU A 9 -2.785 8.433 -7.215 1.00 0.00 C ATOM 135 C LEU A 9 -2.458 8.414 -8.711 1.00 0.00 C ATOM 136 O LEU A 9 -1.595 7.677 -9.159 1.00 0.00 O ATOM 137 CB LEU A 9 -4.031 7.590 -6.950 1.00 0.00 C ATOM 138 CG LEU A 9 -3.712 6.113 -7.153 1.00 0.00 C ATOM 139 CD1 LEU A 9 -3.010 5.562 -5.907 1.00 0.00 C ATOM 140 CD2 LEU A 9 -5.022 5.358 -7.392 1.00 0.00 C ATOM 0 H LEU A 9 -3.997 9.991 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 9 -1.938 8.029 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.385 7.758 -5.933 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.835 7.893 -7.621 1.00 0.00 H new ATOM 0 HG LEU A 9 -3.052 5.987 -8.012 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.783 4.506 -6.054 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -2.084 6.112 -5.738 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -3.663 5.675 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -4.810 4.299 -7.539 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.675 5.481 -6.528 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.515 5.756 -8.279 1.00 0.00 H new ATOM 152 N TRP A 10 -3.144 9.226 -9.481 1.00 0.00 N ATOM 153 CA TRP A 10 -2.889 9.278 -10.950 1.00 0.00 C ATOM 154 C TRP A 10 -1.758 10.272 -11.229 1.00 0.00 C ATOM 155 O TRP A 10 -1.963 11.347 -11.759 1.00 0.00 O ATOM 156 CB TRP A 10 -4.163 9.715 -11.675 1.00 0.00 C ATOM 157 CG TRP A 10 -5.159 8.602 -11.625 1.00 0.00 C ATOM 158 CD1 TRP A 10 -4.944 7.346 -12.079 1.00 0.00 C ATOM 159 CD2 TRP A 10 -6.516 8.619 -11.096 1.00 0.00 C ATOM 160 NE1 TRP A 10 -6.084 6.592 -11.859 1.00 0.00 N ATOM 161 CE2 TRP A 10 -7.080 7.333 -11.261 1.00 0.00 C ATOM 162 CE3 TRP A 10 -7.303 9.615 -10.498 1.00 0.00 C ATOM 163 CZ2 TRP A 10 -8.380 7.045 -10.847 1.00 0.00 C ATOM 164 CZ3 TRP A 10 -8.611 9.328 -10.079 1.00 0.00 C ATOM 165 CH2 TRP A 10 -9.148 8.047 -10.254 1.00 0.00 C ATOM 0 H TRP A 10 -3.873 9.857 -9.149 1.00 0.00 H new ATOM 0 HA TRP A 10 -2.598 8.291 -11.310 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -4.574 10.609 -11.207 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -3.938 9.972 -12.710 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -4.033 6.990 -12.537 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -6.176 5.607 -12.109 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -6.900 10.607 -10.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -8.789 6.055 -10.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -9.208 10.101 -9.618 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -10.156 7.835 -9.930 1.00 0.00 H new ATOM 176 N SER A 11 -0.566 9.900 -10.866 1.00 0.00 N ATOM 177 CA SER A 11 0.627 10.768 -11.075 1.00 0.00 C ATOM 178 C SER A 11 1.823 10.032 -10.480 1.00 0.00 C ATOM 179 O SER A 11 2.892 9.980 -11.057 1.00 0.00 O ATOM 180 CB SER A 11 0.436 12.112 -10.365 1.00 0.00 C ATOM 181 OG SER A 11 -0.475 11.952 -9.286 1.00 0.00 O ATOM 0 H SER A 11 -0.361 9.006 -10.420 1.00 0.00 H new ATOM 0 HA SER A 11 0.778 10.968 -12.136 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.393 12.480 -9.995 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.058 12.856 -11.067 1.00 0.00 H new ATOM 0 HG SER A 11 -0.204 11.184 -8.740 1.00 0.00 H new ATOM 187 N MET A 12 1.621 9.427 -9.335 1.00 0.00 N ATOM 188 CA MET A 12 2.707 8.643 -8.689 1.00 0.00 C ATOM 189 C MET A 12 2.715 7.246 -9.315 1.00 0.00 C ATOM 190 O MET A 12 3.750 6.627 -9.462 1.00 0.00 O ATOM 191 CB MET A 12 2.437 8.533 -7.185 1.00 0.00 C ATOM 192 CG MET A 12 3.604 7.817 -6.505 1.00 0.00 C ATOM 193 SD MET A 12 3.526 8.095 -4.718 1.00 0.00 S ATOM 194 CE MET A 12 2.330 6.792 -4.339 1.00 0.00 C ATOM 0 H MET A 12 0.741 9.446 -8.820 1.00 0.00 H new ATOM 0 HA MET A 12 3.670 9.131 -8.837 1.00 0.00 H new ATOM 0 HB2 MET A 12 2.307 9.526 -6.755 1.00 0.00 H new ATOM 0 HB3 MET A 12 1.510 7.986 -7.011 1.00 0.00 H new ATOM 0 HG2 MET A 12 3.564 6.749 -6.719 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.551 8.186 -6.900 1.00 0.00 H new ATOM 0 HE1 MET A 12 2.130 6.782 -3.268 1.00 0.00 H new ATOM 0 HE2 MET A 12 1.402 6.981 -4.879 1.00 0.00 H new ATOM 0 HE3 MET A 12 2.736 5.827 -4.641 1.00 0.00 H new ATOM 204 N VAL A 13 1.558 6.754 -9.700 1.00 0.00 N ATOM 205 CA VAL A 13 1.494 5.403 -10.339 1.00 0.00 C ATOM 206 C VAL A 13 1.821 5.524 -11.842 1.00 0.00 C ATOM 207 O VAL A 13 1.861 4.536 -12.551 1.00 0.00 O ATOM 208 CB VAL A 13 0.087 4.807 -10.167 1.00 0.00 C ATOM 209 CG1 VAL A 13 0.119 3.312 -10.493 1.00 0.00 C ATOM 210 CG2 VAL A 13 -0.388 4.982 -8.720 1.00 0.00 C ATOM 0 H VAL A 13 0.661 7.229 -9.599 1.00 0.00 H new ATOM 0 HA VAL A 13 2.222 4.748 -9.859 1.00 0.00 H new ATOM 0 HB VAL A 13 -0.595 5.325 -10.841 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.879 2.891 -10.370 1.00 0.00 H new ATOM 0 HG12 VAL A 13 0.448 3.171 -11.522 1.00 0.00 H new ATOM 0 HG13 VAL A 13 0.811 2.807 -9.819 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -1.385 4.556 -8.610 1.00 0.00 H new ATOM 0 HG22 VAL A 13 0.301 4.471 -8.047 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.417 6.043 -8.473 1.00 0.00 H new ATOM 220 N ASN A 14 2.062 6.721 -12.337 1.00 0.00 N ATOM 221 CA ASN A 14 2.384 6.891 -13.788 1.00 0.00 C ATOM 222 C ASN A 14 3.682 6.149 -14.137 1.00 0.00 C ATOM 223 O ASN A 14 3.968 5.914 -15.295 1.00 0.00 O ATOM 224 CB ASN A 14 2.551 8.381 -14.102 1.00 0.00 C ATOM 225 CG ASN A 14 1.253 8.929 -14.696 1.00 0.00 C ATOM 226 OD1 ASN A 14 1.161 9.156 -15.887 1.00 0.00 O ATOM 227 ND2 ASN A 14 0.235 9.151 -13.910 1.00 0.00 N ATOM 0 H ASN A 14 2.048 7.585 -11.795 1.00 0.00 H new ATOM 0 HA ASN A 14 1.569 6.477 -14.381 1.00 0.00 H new ATOM 0 HB2 ASN A 14 2.807 8.928 -13.194 1.00 0.00 H new ATOM 0 HB3 ASN A 14 3.373 8.525 -14.803 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -0.637 9.515 -14.295 1.00 0.00 H new ATOM 0 HD22 ASN A 14 0.311 8.961 -12.911 1.00 0.00 H new ATOM 234 N ASP A 15 4.473 5.780 -13.152 1.00 0.00 N ATOM 235 CA ASP A 15 5.755 5.052 -13.429 1.00 0.00 C ATOM 236 C ASP A 15 6.753 6.001 -14.099 1.00 0.00 C ATOM 237 O ASP A 15 7.614 5.577 -14.846 1.00 0.00 O ATOM 238 CB ASP A 15 5.493 3.852 -14.352 1.00 0.00 C ATOM 239 CG ASP A 15 6.536 2.767 -14.093 1.00 0.00 C ATOM 240 OD1 ASP A 15 6.908 2.596 -12.946 1.00 0.00 O ATOM 241 OD2 ASP A 15 6.948 2.127 -15.047 1.00 0.00 O ATOM 0 H ASP A 15 4.283 5.953 -12.165 1.00 0.00 H new ATOM 0 HA ASP A 15 6.168 4.694 -12.486 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.492 3.457 -14.176 1.00 0.00 H new ATOM 0 HB3 ASP A 15 5.533 4.167 -15.395 1.00 0.00 H new ATOM 246 N LYS A 16 6.649 7.280 -13.833 1.00 0.00 N ATOM 247 CA LYS A 16 7.595 8.256 -14.451 1.00 0.00 C ATOM 248 C LYS A 16 8.812 8.441 -13.534 1.00 0.00 C ATOM 249 O LYS A 16 9.851 7.846 -13.751 1.00 0.00 O ATOM 250 CB LYS A 16 6.881 9.595 -14.656 1.00 0.00 C ATOM 251 CG LYS A 16 5.860 9.455 -15.789 1.00 0.00 C ATOM 252 CD LYS A 16 4.965 10.695 -15.834 1.00 0.00 C ATOM 253 CE LYS A 16 4.354 10.832 -17.230 1.00 0.00 C ATOM 254 NZ LYS A 16 3.676 12.153 -17.347 1.00 0.00 N ATOM 0 H LYS A 16 5.949 7.689 -13.214 1.00 0.00 H new ATOM 0 HA LYS A 16 7.933 7.880 -15.417 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.381 9.899 -13.736 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.605 10.373 -14.897 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.375 9.332 -16.742 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.253 8.562 -15.636 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.176 10.615 -15.086 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.546 11.585 -15.590 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.131 10.741 -17.989 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.640 10.028 -17.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.260 12.247 -18.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.925 12.222 -16.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.369 12.914 -17.196 1.00 0.00 H new ATOM 268 N SER A 17 8.689 9.251 -12.509 1.00 0.00 N ATOM 269 CA SER A 17 9.835 9.463 -11.573 1.00 0.00 C ATOM 270 C SER A 17 10.142 8.144 -10.860 1.00 0.00 C ATOM 271 O SER A 17 11.280 7.826 -10.575 1.00 0.00 O ATOM 272 CB SER A 17 9.463 10.529 -10.540 1.00 0.00 C ATOM 273 OG SER A 17 9.866 11.807 -11.016 1.00 0.00 O ATOM 0 H SER A 17 7.843 9.774 -12.282 1.00 0.00 H new ATOM 0 HA SER A 17 10.711 9.795 -12.130 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.388 10.518 -10.360 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.948 10.314 -9.588 1.00 0.00 H new ATOM 0 HG SER A 17 9.627 12.492 -10.357 1.00 0.00 H new ATOM 279 N ASN A 18 9.123 7.375 -10.584 1.00 0.00 N ATOM 280 CA ASN A 18 9.322 6.059 -9.898 1.00 0.00 C ATOM 281 C ASN A 18 9.146 4.939 -10.927 1.00 0.00 C ATOM 282 O ASN A 18 8.465 3.957 -10.691 1.00 0.00 O ATOM 283 CB ASN A 18 8.300 5.893 -8.757 1.00 0.00 C ATOM 284 CG ASN A 18 6.908 6.353 -9.209 1.00 0.00 C ATOM 285 OD1 ASN A 18 6.221 5.645 -9.917 1.00 0.00 O ATOM 286 ND2 ASN A 18 6.462 7.521 -8.824 1.00 0.00 N ATOM 0 H ASN A 18 8.153 7.601 -10.805 1.00 0.00 H new ATOM 0 HA ASN A 18 10.323 6.015 -9.470 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.261 4.849 -8.445 1.00 0.00 H new ATOM 0 HB3 ASN A 18 8.617 6.473 -7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.538 7.836 -9.119 1.00 0.00 H new ATOM 0 HD22 ASN A 18 7.038 8.116 -8.229 1.00 0.00 H new ATOM 293 N GLU A 19 9.754 5.097 -12.073 1.00 0.00 N ATOM 294 CA GLU A 19 9.635 4.078 -13.154 1.00 0.00 C ATOM 295 C GLU A 19 10.215 2.731 -12.708 1.00 0.00 C ATOM 296 O GLU A 19 9.852 1.696 -13.236 1.00 0.00 O ATOM 297 CB GLU A 19 10.391 4.573 -14.386 1.00 0.00 C ATOM 298 CG GLU A 19 10.038 3.704 -15.595 1.00 0.00 C ATOM 299 CD GLU A 19 10.794 4.214 -16.823 1.00 0.00 C ATOM 300 OE1 GLU A 19 12.000 4.374 -16.726 1.00 0.00 O ATOM 301 OE2 GLU A 19 10.156 4.439 -17.838 1.00 0.00 O ATOM 0 H GLU A 19 10.336 5.901 -12.308 1.00 0.00 H new ATOM 0 HA GLU A 19 8.580 3.935 -13.386 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.135 5.613 -14.587 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.465 4.539 -14.203 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.300 2.664 -15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.964 3.733 -15.777 1.00 0.00 H new ATOM 308 N LYS A 20 11.120 2.728 -11.759 1.00 0.00 N ATOM 309 CA LYS A 20 11.724 1.433 -11.313 1.00 0.00 C ATOM 310 C LYS A 20 11.233 1.054 -9.912 1.00 0.00 C ATOM 311 O LYS A 20 11.954 0.438 -9.147 1.00 0.00 O ATOM 312 CB LYS A 20 13.255 1.551 -11.311 1.00 0.00 C ATOM 313 CG LYS A 20 13.701 2.671 -10.354 1.00 0.00 C ATOM 314 CD LYS A 20 14.695 3.604 -11.062 1.00 0.00 C ATOM 315 CE LYS A 20 14.330 5.063 -10.776 1.00 0.00 C ATOM 316 NZ LYS A 20 15.080 5.956 -11.705 1.00 0.00 N ATOM 0 H LYS A 20 11.464 3.559 -11.277 1.00 0.00 H new ATOM 0 HA LYS A 20 11.417 0.652 -12.008 1.00 0.00 H new ATOM 0 HB2 LYS A 20 13.700 0.604 -11.006 1.00 0.00 H new ATOM 0 HB3 LYS A 20 13.612 1.761 -12.319 1.00 0.00 H new ATOM 0 HG2 LYS A 20 12.834 3.239 -10.017 1.00 0.00 H new ATOM 0 HG3 LYS A 20 14.164 2.239 -9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 20 15.709 3.399 -10.718 1.00 0.00 H new ATOM 0 HD3 LYS A 20 14.679 3.419 -12.136 1.00 0.00 H new ATOM 0 HE2 LYS A 20 13.257 5.211 -10.899 1.00 0.00 H new ATOM 0 HE3 LYS A 20 14.569 5.313 -9.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 14.832 6.947 -11.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 16.102 5.822 -11.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 14.830 5.723 -12.687 1.00 0.00 H new ATOM 330 N PHE A 21 10.017 1.402 -9.570 1.00 0.00 N ATOM 331 CA PHE A 21 9.491 1.045 -8.216 1.00 0.00 C ATOM 332 C PHE A 21 8.083 0.454 -8.347 1.00 0.00 C ATOM 333 O PHE A 21 7.879 -0.731 -8.157 1.00 0.00 O ATOM 334 CB PHE A 21 9.443 2.295 -7.337 1.00 0.00 C ATOM 335 CG PHE A 21 10.842 2.836 -7.158 1.00 0.00 C ATOM 336 CD1 PHE A 21 11.846 2.022 -6.619 1.00 0.00 C ATOM 337 CD2 PHE A 21 11.136 4.150 -7.536 1.00 0.00 C ATOM 338 CE1 PHE A 21 13.143 2.525 -6.458 1.00 0.00 C ATOM 339 CE2 PHE A 21 12.433 4.653 -7.375 1.00 0.00 C ATOM 340 CZ PHE A 21 13.435 3.840 -6.836 1.00 0.00 C ATOM 0 H PHE A 21 9.368 1.915 -10.167 1.00 0.00 H new ATOM 0 HA PHE A 21 10.150 0.307 -7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.805 3.051 -7.795 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.007 2.055 -6.367 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.620 1.007 -6.328 1.00 0.00 H new ATOM 0 HD2 PHE A 21 10.362 4.777 -7.953 1.00 0.00 H new ATOM 0 HE1 PHE A 21 13.918 1.898 -6.042 1.00 0.00 H new ATOM 0 HE2 PHE A 21 12.659 5.668 -7.667 1.00 0.00 H new ATOM 0 HZ PHE A 21 14.435 4.228 -6.711 1.00 0.00 H new ATOM 350 N ILE A 22 7.115 1.272 -8.670 1.00 0.00 N ATOM 351 CA ILE A 22 5.717 0.770 -8.815 1.00 0.00 C ATOM 352 C ILE A 22 5.396 0.605 -10.306 1.00 0.00 C ATOM 353 O ILE A 22 6.080 1.137 -11.155 1.00 0.00 O ATOM 354 CB ILE A 22 4.753 1.779 -8.165 1.00 0.00 C ATOM 355 CG1 ILE A 22 3.305 1.295 -8.318 1.00 0.00 C ATOM 356 CG2 ILE A 22 4.909 3.153 -8.826 1.00 0.00 C ATOM 357 CD1 ILE A 22 2.412 2.046 -7.329 1.00 0.00 C ATOM 0 H ILE A 22 7.234 2.271 -8.840 1.00 0.00 H new ATOM 0 HA ILE A 22 5.606 -0.195 -8.321 1.00 0.00 H new ATOM 0 HB ILE A 22 4.993 1.862 -7.105 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.959 1.464 -9.338 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.247 0.222 -8.135 1.00 0.00 H new ATOM 0 HG21 ILE A 22 4.223 3.861 -8.360 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.933 3.503 -8.700 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.681 3.073 -9.889 1.00 0.00 H new ATOM 0 HD11 ILE A 22 1.383 1.704 -7.436 1.00 0.00 H new ATOM 0 HD12 ILE A 22 2.754 1.855 -6.312 1.00 0.00 H new ATOM 0 HD13 ILE A 22 2.462 3.116 -7.533 1.00 0.00 H new ATOM 369 N HIS A 23 4.361 -0.129 -10.623 1.00 0.00 N ATOM 370 CA HIS A 23 3.987 -0.335 -12.054 1.00 0.00 C ATOM 371 C HIS A 23 2.605 -0.984 -12.116 1.00 0.00 C ATOM 372 O HIS A 23 2.291 -1.852 -11.329 1.00 0.00 O ATOM 373 CB HIS A 23 5.012 -1.252 -12.728 1.00 0.00 C ATOM 374 CG HIS A 23 4.944 -1.067 -14.220 1.00 0.00 C ATOM 375 ND1 HIS A 23 6.038 -0.657 -14.964 1.00 0.00 N ATOM 376 CD2 HIS A 23 3.920 -1.237 -15.120 1.00 0.00 C ATOM 377 CE1 HIS A 23 5.653 -0.594 -16.253 1.00 0.00 C ATOM 378 NE2 HIS A 23 4.370 -0.937 -16.403 1.00 0.00 N ATOM 0 H HIS A 23 3.756 -0.597 -9.948 1.00 0.00 H new ATOM 0 HA HIS A 23 3.970 0.624 -12.571 1.00 0.00 H new ATOM 0 HB2 HIS A 23 6.015 -1.022 -12.367 1.00 0.00 H new ATOM 0 HB3 HIS A 23 4.811 -2.292 -12.470 1.00 0.00 H new ATOM 0 HD2 HIS A 23 2.919 -1.555 -14.870 1.00 0.00 H new ATOM 0 HE1 HIS A 23 6.301 -0.302 -17.066 1.00 0.00 H new ATOM 0 HE2 HIS A 23 3.835 -0.972 -17.271 1.00 0.00 H new ATOM 386 N TRP A 24 1.774 -0.566 -13.041 1.00 0.00 N ATOM 387 CA TRP A 24 0.403 -1.158 -13.148 1.00 0.00 C ATOM 388 C TRP A 24 0.503 -2.673 -13.364 1.00 0.00 C ATOM 389 O TRP A 24 1.583 -3.220 -13.485 1.00 0.00 O ATOM 390 CB TRP A 24 -0.340 -0.516 -14.321 1.00 0.00 C ATOM 391 CG TRP A 24 -0.705 0.891 -13.966 1.00 0.00 C ATOM 392 CD1 TRP A 24 0.152 1.940 -13.963 1.00 0.00 C ATOM 393 CD2 TRP A 24 -2.002 1.423 -13.563 1.00 0.00 C ATOM 394 NE1 TRP A 24 -0.535 3.079 -13.582 1.00 0.00 N ATOM 395 CE2 TRP A 24 -1.866 2.812 -13.326 1.00 0.00 C ATOM 396 CE3 TRP A 24 -3.270 0.842 -13.381 1.00 0.00 C ATOM 397 CZ2 TRP A 24 -2.949 3.596 -12.923 1.00 0.00 C ATOM 398 CZ3 TRP A 24 -4.362 1.627 -12.977 1.00 0.00 C ATOM 399 CH2 TRP A 24 -4.202 3.001 -12.749 1.00 0.00 C ATOM 0 H TRP A 24 1.986 0.159 -13.726 1.00 0.00 H new ATOM 0 HA TRP A 24 -0.144 -0.967 -12.225 1.00 0.00 H new ATOM 0 HB2 TRP A 24 0.287 -0.527 -15.213 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -1.238 -1.089 -14.555 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.201 1.895 -14.217 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.111 4.003 -13.500 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -3.405 -0.216 -13.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.820 4.654 -12.747 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -5.331 1.170 -12.841 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -5.046 3.599 -12.439 1.00 0.00 H new ATOM 410 N SER A 25 -0.617 -3.351 -13.403 1.00 0.00 N ATOM 411 CA SER A 25 -0.599 -4.830 -13.601 1.00 0.00 C ATOM 412 C SER A 25 -0.330 -5.150 -15.074 1.00 0.00 C ATOM 413 O SER A 25 0.739 -5.606 -15.431 1.00 0.00 O ATOM 414 CB SER A 25 -1.948 -5.418 -13.175 1.00 0.00 C ATOM 415 OG SER A 25 -1.726 -6.556 -12.353 1.00 0.00 O ATOM 0 H SER A 25 -1.546 -2.941 -13.306 1.00 0.00 H new ATOM 0 HA SER A 25 0.192 -5.269 -12.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.528 -4.671 -12.633 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.530 -5.698 -14.053 1.00 0.00 H new ATOM 0 HG SER A 25 -2.587 -6.933 -12.077 1.00 0.00 H new ATOM 468 N SER A 30 -5.645 -2.695 -11.640 1.00 0.00 N ATOM 469 CA SER A 30 -4.879 -3.322 -10.513 1.00 0.00 C ATOM 470 C SER A 30 -3.415 -2.881 -10.570 1.00 0.00 C ATOM 471 O SER A 30 -2.902 -2.534 -11.616 1.00 0.00 O ATOM 472 CB SER A 30 -4.956 -4.853 -10.598 1.00 0.00 C ATOM 473 OG SER A 30 -6.240 -5.233 -11.078 1.00 0.00 O ATOM 0 HA SER A 30 -5.321 -2.997 -9.571 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.180 -5.231 -11.263 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.777 -5.293 -9.617 1.00 0.00 H new ATOM 0 HG SER A 30 -6.653 -4.475 -11.542 1.00 0.00 H new ATOM 479 N ILE A 31 -2.743 -2.892 -9.444 1.00 0.00 N ATOM 480 CA ILE A 31 -1.309 -2.474 -9.413 1.00 0.00 C ATOM 481 C ILE A 31 -0.461 -3.605 -8.824 1.00 0.00 C ATOM 482 O ILE A 31 -0.927 -4.387 -8.016 1.00 0.00 O ATOM 483 CB ILE A 31 -1.160 -1.217 -8.548 1.00 0.00 C ATOM 484 CG1 ILE A 31 -2.100 -0.126 -9.072 1.00 0.00 C ATOM 485 CG2 ILE A 31 0.286 -0.717 -8.605 1.00 0.00 C ATOM 486 CD1 ILE A 31 -2.161 1.035 -8.073 1.00 0.00 C ATOM 0 H ILE A 31 -3.129 -3.174 -8.543 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.972 -2.257 -10.427 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.416 -1.456 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.750 0.234 -10.040 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.098 -0.537 -9.226 1.00 0.00 H new ATOM 0 HG21 ILE A 31 0.387 0.176 -7.989 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.954 -1.493 -8.231 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.548 -0.478 -9.636 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.831 1.807 -8.452 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.532 0.671 -7.115 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -1.163 1.454 -7.941 1.00 0.00 H new ATOM 498 N VAL A 32 0.781 -3.690 -9.224 1.00 0.00 N ATOM 499 CA VAL A 32 1.675 -4.761 -8.698 1.00 0.00 C ATOM 500 C VAL A 32 2.895 -4.124 -8.031 1.00 0.00 C ATOM 501 O VAL A 32 3.397 -3.107 -8.473 1.00 0.00 O ATOM 502 CB VAL A 32 2.137 -5.654 -9.851 1.00 0.00 C ATOM 503 CG1 VAL A 32 2.934 -6.837 -9.297 1.00 0.00 C ATOM 504 CG2 VAL A 32 0.916 -6.176 -10.613 1.00 0.00 C ATOM 0 H VAL A 32 1.216 -3.059 -9.897 1.00 0.00 H new ATOM 0 HA VAL A 32 1.131 -5.361 -7.968 1.00 0.00 H new ATOM 0 HB VAL A 32 2.768 -5.075 -10.525 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.262 -7.472 -10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.804 -6.467 -8.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.304 -7.416 -8.621 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.245 -6.812 -11.435 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.285 -6.753 -9.937 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.348 -5.335 -11.010 1.00 0.00 H new ATOM 514 N VAL A 33 3.375 -4.721 -6.971 1.00 0.00 N ATOM 515 CA VAL A 33 4.565 -4.170 -6.262 1.00 0.00 C ATOM 516 C VAL A 33 5.665 -5.244 -6.219 1.00 0.00 C ATOM 517 O VAL A 33 5.718 -6.024 -5.287 1.00 0.00 O ATOM 518 CB VAL A 33 4.164 -3.777 -4.833 1.00 0.00 C ATOM 519 CG1 VAL A 33 5.381 -3.222 -4.068 1.00 0.00 C ATOM 520 CG2 VAL A 33 3.064 -2.712 -4.897 1.00 0.00 C ATOM 0 H VAL A 33 2.989 -5.573 -6.564 1.00 0.00 H new ATOM 0 HA VAL A 33 4.938 -3.290 -6.786 1.00 0.00 H new ATOM 0 HB VAL A 33 3.796 -4.659 -4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.081 -2.948 -3.057 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.160 -3.983 -4.022 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.765 -2.342 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 33 2.774 -2.428 -3.886 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.436 -1.836 -5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 33 2.198 -3.114 -5.423 1.00 0.00 H new ATOM 530 N PRO A 34 6.513 -5.250 -7.229 1.00 0.00 N ATOM 531 CA PRO A 34 7.595 -6.266 -7.233 1.00 0.00 C ATOM 532 C PRO A 34 8.535 -6.039 -6.043 1.00 0.00 C ATOM 533 O PRO A 34 9.163 -6.959 -5.553 1.00 0.00 O ATOM 534 CB PRO A 34 8.330 -6.048 -8.557 1.00 0.00 C ATOM 535 CG PRO A 34 8.033 -4.600 -8.983 1.00 0.00 C ATOM 536 CD PRO A 34 6.764 -4.173 -8.226 1.00 0.00 C ATOM 0 HA PRO A 34 7.215 -7.283 -7.143 1.00 0.00 H new ATOM 0 HB2 PRO A 34 9.402 -6.206 -8.437 1.00 0.00 H new ATOM 0 HB3 PRO A 34 7.986 -6.754 -9.313 1.00 0.00 H new ATOM 0 HG2 PRO A 34 8.869 -3.945 -8.739 1.00 0.00 H new ATOM 0 HG3 PRO A 34 7.882 -4.536 -10.061 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.905 -3.210 -7.736 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.919 -4.064 -8.906 1.00 0.00 H new ATOM 544 N ASN A 35 8.624 -4.821 -5.574 1.00 0.00 N ATOM 545 CA ASN A 35 9.507 -4.518 -4.411 1.00 0.00 C ATOM 546 C ASN A 35 8.831 -3.450 -3.548 1.00 0.00 C ATOM 547 O ASN A 35 8.867 -2.275 -3.860 1.00 0.00 O ATOM 548 CB ASN A 35 10.863 -4.006 -4.917 1.00 0.00 C ATOM 549 CG ASN A 35 11.952 -5.037 -4.611 1.00 0.00 C ATOM 550 OD1 ASN A 35 12.639 -5.496 -5.501 1.00 0.00 O ATOM 551 ND2 ASN A 35 12.141 -5.421 -3.377 1.00 0.00 N ATOM 0 H ASN A 35 8.119 -4.019 -5.950 1.00 0.00 H new ATOM 0 HA ASN A 35 9.671 -5.418 -3.818 1.00 0.00 H new ATOM 0 HB2 ASN A 35 10.815 -3.821 -5.990 1.00 0.00 H new ATOM 0 HB3 ASN A 35 11.104 -3.056 -4.441 1.00 0.00 H new ATOM 0 HD21 ASN A 35 12.865 -6.106 -3.161 1.00 0.00 H new ATOM 0 HD22 ASN A 35 11.564 -5.036 -2.629 1.00 0.00 H new ATOM 558 N ARG A 36 8.209 -3.854 -2.470 1.00 0.00 N ATOM 559 CA ARG A 36 7.519 -2.875 -1.581 1.00 0.00 C ATOM 560 C ARG A 36 8.557 -2.134 -0.736 1.00 0.00 C ATOM 561 O ARG A 36 8.423 -0.956 -0.464 1.00 0.00 O ATOM 562 CB ARG A 36 6.553 -3.624 -0.659 1.00 0.00 C ATOM 563 CG ARG A 36 5.601 -2.630 0.015 1.00 0.00 C ATOM 564 CD ARG A 36 5.405 -3.018 1.483 1.00 0.00 C ATOM 565 NE ARG A 36 6.623 -2.647 2.258 1.00 0.00 N ATOM 566 CZ ARG A 36 6.565 -2.535 3.558 1.00 0.00 C ATOM 567 NH1 ARG A 36 5.868 -3.391 4.257 1.00 0.00 N ATOM 568 NH2 ARG A 36 7.208 -1.571 4.158 1.00 0.00 N ATOM 0 H ARG A 36 8.150 -4.826 -2.167 1.00 0.00 H new ATOM 0 HA ARG A 36 6.966 -2.158 -2.187 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.983 -4.356 -1.232 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.112 -4.176 0.097 1.00 0.00 H new ATOM 0 HG2 ARG A 36 6.006 -1.620 -0.053 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.641 -2.624 -0.501 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.531 -2.510 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 36 5.219 -4.089 1.566 1.00 0.00 H new ATOM 0 HE ARG A 36 7.504 -2.480 1.772 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.369 -4.147 3.787 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.823 -3.304 5.272 1.00 0.00 H new ATOM 0 HH21 ARG A 36 7.755 -0.906 3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 36 7.163 -1.483 5.173 1.00 0.00 H new ATOM 582 N GLU A 37 9.587 -2.823 -0.321 1.00 0.00 N ATOM 583 CA GLU A 37 10.642 -2.173 0.511 1.00 0.00 C ATOM 584 C GLU A 37 11.382 -1.121 -0.321 1.00 0.00 C ATOM 585 O GLU A 37 11.907 -0.160 0.210 1.00 0.00 O ATOM 586 CB GLU A 37 11.634 -3.232 1.007 1.00 0.00 C ATOM 587 CG GLU A 37 12.214 -4.000 -0.183 1.00 0.00 C ATOM 588 CD GLU A 37 13.366 -4.887 0.293 1.00 0.00 C ATOM 589 OE1 GLU A 37 13.095 -5.872 0.958 1.00 0.00 O ATOM 590 OE2 GLU A 37 14.502 -4.566 -0.016 1.00 0.00 O ATOM 0 H GLU A 37 9.744 -3.810 -0.523 1.00 0.00 H new ATOM 0 HA GLU A 37 10.175 -1.688 1.368 1.00 0.00 H new ATOM 0 HB2 GLU A 37 12.437 -2.756 1.570 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.134 -3.921 1.687 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.440 -4.610 -0.648 1.00 0.00 H new ATOM 0 HG3 GLU A 37 12.568 -3.302 -0.942 1.00 0.00 H new ATOM 597 N ARG A 38 11.426 -1.292 -1.619 1.00 0.00 N ATOM 598 CA ARG A 38 12.129 -0.302 -2.490 1.00 0.00 C ATOM 599 C ARG A 38 11.195 0.878 -2.781 1.00 0.00 C ATOM 600 O ARG A 38 11.595 2.027 -2.747 1.00 0.00 O ATOM 601 CB ARG A 38 12.519 -0.981 -3.805 1.00 0.00 C ATOM 602 CG ARG A 38 13.744 -0.284 -4.406 1.00 0.00 C ATOM 603 CD ARG A 38 13.981 -0.790 -5.834 1.00 0.00 C ATOM 604 NE ARG A 38 15.410 -1.181 -5.994 1.00 0.00 N ATOM 605 CZ ARG A 38 15.877 -1.493 -7.175 1.00 0.00 C ATOM 606 NH1 ARG A 38 15.150 -2.195 -8.003 1.00 0.00 N ATOM 607 NH2 ARG A 38 17.072 -1.106 -7.527 1.00 0.00 N ATOM 0 H ARG A 38 11.004 -2.078 -2.114 1.00 0.00 H new ATOM 0 HA ARG A 38 13.023 0.063 -1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 38 12.738 -2.034 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG A 38 11.686 -0.941 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 38 13.593 0.795 -4.413 1.00 0.00 H new ATOM 0 HG3 ARG A 38 14.623 -0.478 -3.791 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.335 -1.643 -6.041 1.00 0.00 H new ATOM 0 HD3 ARG A 38 13.723 -0.013 -6.554 1.00 0.00 H new ATOM 0 HE ARG A 38 16.025 -1.205 -5.181 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.216 -2.501 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.516 -2.437 -8.924 1.00 0.00 H new ATOM 0 HH21 ARG A 38 17.642 -0.560 -6.881 1.00 0.00 H new ATOM 0 HH22 ARG A 38 17.436 -1.349 -8.448 1.00 0.00 H new ATOM 621 N PHE A 39 9.948 0.595 -3.063 1.00 0.00 N ATOM 622 CA PHE A 39 8.960 1.677 -3.358 1.00 0.00 C ATOM 623 C PHE A 39 8.899 2.658 -2.172 1.00 0.00 C ATOM 624 O PHE A 39 9.231 3.820 -2.299 1.00 0.00 O ATOM 625 CB PHE A 39 7.584 1.013 -3.610 1.00 0.00 C ATOM 626 CG PHE A 39 6.443 2.005 -3.473 1.00 0.00 C ATOM 627 CD1 PHE A 39 6.006 2.737 -4.583 1.00 0.00 C ATOM 628 CD2 PHE A 39 5.825 2.182 -2.229 1.00 0.00 C ATOM 629 CE1 PHE A 39 4.952 3.649 -4.448 1.00 0.00 C ATOM 630 CE2 PHE A 39 4.773 3.092 -2.094 1.00 0.00 C ATOM 631 CZ PHE A 39 4.335 3.826 -3.202 1.00 0.00 C ATOM 0 H PHE A 39 9.568 -0.351 -3.102 1.00 0.00 H new ATOM 0 HA PHE A 39 9.253 2.244 -4.242 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.569 0.578 -4.609 1.00 0.00 H new ATOM 0 HB3 PHE A 39 7.441 0.195 -2.904 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.481 2.599 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 39 6.161 1.615 -1.374 1.00 0.00 H new ATOM 0 HE1 PHE A 39 4.615 4.216 -5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.298 3.229 -1.134 1.00 0.00 H new ATOM 0 HZ PHE A 39 3.522 4.529 -3.097 1.00 0.00 H new ATOM 641 N VAL A 40 8.464 2.195 -1.029 1.00 0.00 N ATOM 642 CA VAL A 40 8.359 3.087 0.170 1.00 0.00 C ATOM 643 C VAL A 40 9.687 3.821 0.421 1.00 0.00 C ATOM 644 O VAL A 40 9.727 5.032 0.502 1.00 0.00 O ATOM 645 CB VAL A 40 8.008 2.239 1.401 1.00 0.00 C ATOM 646 CG1 VAL A 40 7.846 3.139 2.632 1.00 0.00 C ATOM 647 CG2 VAL A 40 6.694 1.493 1.155 1.00 0.00 C ATOM 0 H VAL A 40 8.174 1.230 -0.871 1.00 0.00 H new ATOM 0 HA VAL A 40 7.580 3.828 -0.012 1.00 0.00 H new ATOM 0 HB VAL A 40 8.813 1.525 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 40 7.597 2.528 3.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.779 3.671 2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.047 3.859 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.447 0.892 2.030 1.00 0.00 H new ATOM 0 HG22 VAL A 40 5.896 2.212 0.972 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.802 0.843 0.287 1.00 0.00 H new ATOM 657 N GLN A 41 10.759 3.087 0.566 1.00 0.00 N ATOM 658 CA GLN A 41 12.091 3.712 0.847 1.00 0.00 C ATOM 659 C GLN A 41 12.398 4.877 -0.108 1.00 0.00 C ATOM 660 O GLN A 41 13.089 5.807 0.265 1.00 0.00 O ATOM 661 CB GLN A 41 13.182 2.650 0.703 1.00 0.00 C ATOM 662 CG GLN A 41 14.401 3.053 1.535 1.00 0.00 C ATOM 663 CD GLN A 41 15.121 1.799 2.039 1.00 0.00 C ATOM 664 OE1 GLN A 41 14.539 0.734 2.104 1.00 0.00 O ATOM 665 NE2 GLN A 41 16.373 1.879 2.403 1.00 0.00 N ATOM 0 H GLN A 41 10.771 2.069 0.501 1.00 0.00 H new ATOM 0 HA GLN A 41 12.064 4.110 1.862 1.00 0.00 H new ATOM 0 HB2 GLN A 41 12.807 1.681 1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 41 13.463 2.542 -0.345 1.00 0.00 H new ATOM 0 HG2 GLN A 41 15.080 3.657 0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 41 14.090 3.669 2.379 1.00 0.00 H new ATOM 0 HE21 GLN A 41 16.864 2.772 2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 41 16.860 1.049 2.741 1.00 0.00 H new ATOM 674 N GLU A 42 11.920 4.836 -1.332 1.00 0.00 N ATOM 675 CA GLU A 42 12.236 5.954 -2.279 1.00 0.00 C ATOM 676 C GLU A 42 10.984 6.442 -3.020 1.00 0.00 C ATOM 677 O GLU A 42 11.076 6.885 -4.149 1.00 0.00 O ATOM 678 CB GLU A 42 13.261 5.463 -3.308 1.00 0.00 C ATOM 679 CG GLU A 42 14.587 5.139 -2.611 1.00 0.00 C ATOM 680 CD GLU A 42 15.574 6.289 -2.818 1.00 0.00 C ATOM 681 OE1 GLU A 42 16.108 6.396 -3.909 1.00 0.00 O ATOM 682 OE2 GLU A 42 15.781 7.043 -1.881 1.00 0.00 O ATOM 0 H GLU A 42 11.335 4.091 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 42 12.634 6.786 -1.698 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.882 4.577 -3.817 1.00 0.00 H new ATOM 0 HB3 GLU A 42 13.418 6.226 -4.070 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.419 4.979 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 42 15.003 4.214 -3.011 1.00 0.00 H new ATOM 689 N VAL A 43 9.822 6.379 -2.411 1.00 0.00 N ATOM 690 CA VAL A 43 8.589 6.858 -3.118 1.00 0.00 C ATOM 691 C VAL A 43 7.530 7.343 -2.118 1.00 0.00 C ATOM 692 O VAL A 43 6.823 8.297 -2.386 1.00 0.00 O ATOM 693 CB VAL A 43 7.991 5.727 -3.969 1.00 0.00 C ATOM 694 CG1 VAL A 43 6.849 6.281 -4.834 1.00 0.00 C ATOM 695 CG2 VAL A 43 9.073 5.132 -4.881 1.00 0.00 C ATOM 0 H VAL A 43 9.674 6.022 -1.467 1.00 0.00 H new ATOM 0 HA VAL A 43 8.878 7.691 -3.759 1.00 0.00 H new ATOM 0 HB VAL A 43 7.607 4.950 -3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.426 5.477 -5.437 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.074 6.698 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.235 7.062 -5.490 1.00 0.00 H new ATOM 0 HG21 VAL A 43 8.642 4.331 -5.482 1.00 0.00 H new ATOM 0 HG22 VAL A 43 9.462 5.909 -5.539 1.00 0.00 H new ATOM 0 HG23 VAL A 43 9.884 4.733 -4.271 1.00 0.00 H new ATOM 705 N LEU A 44 7.392 6.693 -0.987 1.00 0.00 N ATOM 706 CA LEU A 44 6.350 7.124 -0.005 1.00 0.00 C ATOM 707 C LEU A 44 6.719 8.474 0.634 1.00 0.00 C ATOM 708 O LEU A 44 5.884 9.356 0.700 1.00 0.00 O ATOM 709 CB LEU A 44 6.187 6.058 1.083 1.00 0.00 C ATOM 710 CG LEU A 44 4.878 6.297 1.835 1.00 0.00 C ATOM 711 CD1 LEU A 44 3.693 6.000 0.914 1.00 0.00 C ATOM 712 CD2 LEU A 44 4.819 5.374 3.052 1.00 0.00 C ATOM 0 H LEU A 44 7.952 5.889 -0.704 1.00 0.00 H new ATOM 0 HA LEU A 44 5.407 7.245 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.186 5.064 0.636 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.029 6.096 1.774 1.00 0.00 H new ATOM 0 HG LEU A 44 4.831 7.337 2.159 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.761 6.171 1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 44 3.735 6.656 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.737 4.961 0.587 1.00 0.00 H new ATOM 0 HD21 LEU A 44 3.887 5.542 3.591 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.867 4.336 2.724 1.00 0.00 H new ATOM 0 HD23 LEU A 44 5.662 5.586 3.710 1.00 0.00 H new ATOM 724 N PRO A 45 7.951 8.601 1.086 1.00 0.00 N ATOM 725 CA PRO A 45 8.334 9.895 1.712 1.00 0.00 C ATOM 726 C PRO A 45 8.594 10.967 0.647 1.00 0.00 C ATOM 727 O PRO A 45 8.601 12.148 0.943 1.00 0.00 O ATOM 728 CB PRO A 45 9.620 9.595 2.478 1.00 0.00 C ATOM 729 CG PRO A 45 10.232 8.350 1.818 1.00 0.00 C ATOM 730 CD PRO A 45 9.088 7.640 1.076 1.00 0.00 C ATOM 0 HA PRO A 45 7.543 10.280 2.355 1.00 0.00 H new ATOM 0 HB2 PRO A 45 10.308 10.439 2.429 1.00 0.00 H new ATOM 0 HB3 PRO A 45 9.412 9.414 3.532 1.00 0.00 H new ATOM 0 HG2 PRO A 45 11.028 8.629 1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 45 10.675 7.693 2.566 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.379 7.387 0.057 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.818 6.707 1.571 1.00 0.00 H new ATOM 738 N LYS A 46 8.819 10.573 -0.583 1.00 0.00 N ATOM 739 CA LYS A 46 9.088 11.574 -1.654 1.00 0.00 C ATOM 740 C LYS A 46 7.827 12.400 -1.925 1.00 0.00 C ATOM 741 O LYS A 46 7.904 13.526 -2.380 1.00 0.00 O ATOM 742 CB LYS A 46 9.524 10.846 -2.934 1.00 0.00 C ATOM 743 CG LYS A 46 11.014 11.103 -3.195 1.00 0.00 C ATOM 744 CD LYS A 46 11.248 12.600 -3.425 1.00 0.00 C ATOM 745 CE LYS A 46 12.561 12.805 -4.184 1.00 0.00 C ATOM 746 NZ LYS A 46 13.275 13.992 -3.632 1.00 0.00 N ATOM 0 H LYS A 46 8.827 9.600 -0.888 1.00 0.00 H new ATOM 0 HA LYS A 46 9.884 12.245 -1.331 1.00 0.00 H new ATOM 0 HB2 LYS A 46 9.342 9.776 -2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 46 8.932 11.193 -3.781 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.606 10.759 -2.347 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.344 10.536 -4.065 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.419 13.025 -3.991 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.283 13.124 -2.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.187 11.917 -4.095 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.361 12.949 -5.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.167 14.131 -4.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 12.678 14.837 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.478 13.837 -2.624 1.00 0.00 H new ATOM 760 N TYR A 47 6.670 11.851 -1.653 1.00 0.00 N ATOM 761 CA TYR A 47 5.407 12.604 -1.898 1.00 0.00 C ATOM 762 C TYR A 47 4.817 13.068 -0.562 1.00 0.00 C ATOM 763 O TYR A 47 4.584 14.245 -0.355 1.00 0.00 O ATOM 764 CB TYR A 47 4.409 11.697 -2.619 1.00 0.00 C ATOM 765 CG TYR A 47 4.805 11.577 -4.073 1.00 0.00 C ATOM 766 CD1 TYR A 47 5.935 10.830 -4.432 1.00 0.00 C ATOM 767 CD2 TYR A 47 4.045 12.215 -5.060 1.00 0.00 C ATOM 768 CE1 TYR A 47 6.303 10.721 -5.780 1.00 0.00 C ATOM 769 CE2 TYR A 47 4.413 12.106 -6.407 1.00 0.00 C ATOM 770 CZ TYR A 47 5.541 11.359 -6.767 1.00 0.00 C ATOM 771 OH TYR A 47 5.904 11.253 -8.095 1.00 0.00 O ATOM 0 H TYR A 47 6.548 10.913 -1.272 1.00 0.00 H new ATOM 0 HA TYR A 47 5.616 13.476 -2.517 1.00 0.00 H new ATOM 0 HB2 TYR A 47 4.392 10.712 -2.152 1.00 0.00 H new ATOM 0 HB3 TYR A 47 3.402 12.107 -2.537 1.00 0.00 H new ATOM 0 HD1 TYR A 47 6.522 10.339 -3.670 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.175 12.791 -4.783 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.174 10.145 -6.058 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.826 12.598 -7.168 1.00 0.00 H new ATOM 0 HH TYR A 47 5.269 11.754 -8.649 1.00 0.00 H new ATOM 781 N PHE A 48 4.578 12.155 0.345 1.00 0.00 N ATOM 782 CA PHE A 48 4.003 12.539 1.671 1.00 0.00 C ATOM 783 C PHE A 48 5.126 12.994 2.609 1.00 0.00 C ATOM 784 O PHE A 48 6.295 12.871 2.294 1.00 0.00 O ATOM 785 CB PHE A 48 3.286 11.333 2.283 1.00 0.00 C ATOM 786 CG PHE A 48 2.074 10.998 1.449 1.00 0.00 C ATOM 787 CD1 PHE A 48 0.908 11.763 1.567 1.00 0.00 C ATOM 788 CD2 PHE A 48 2.118 9.921 0.556 1.00 0.00 C ATOM 789 CE1 PHE A 48 -0.215 11.451 0.792 1.00 0.00 C ATOM 790 CE2 PHE A 48 0.996 9.608 -0.219 1.00 0.00 C ATOM 791 CZ PHE A 48 -0.171 10.374 -0.101 1.00 0.00 C ATOM 0 H PHE A 48 4.757 11.158 0.225 1.00 0.00 H new ATOM 0 HA PHE A 48 3.294 13.356 1.534 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.960 10.478 2.326 1.00 0.00 H new ATOM 0 HB3 PHE A 48 2.987 11.554 3.307 1.00 0.00 H new ATOM 0 HD1 PHE A 48 0.875 12.594 2.256 1.00 0.00 H new ATOM 0 HD2 PHE A 48 3.018 9.331 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.115 12.041 0.883 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.030 8.777 -0.908 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.037 10.133 -0.699 1.00 0.00 H new ATOM 801 N LYS A 49 4.777 13.522 3.756 1.00 0.00 N ATOM 802 CA LYS A 49 5.817 13.991 4.721 1.00 0.00 C ATOM 803 C LYS A 49 5.664 13.249 6.054 1.00 0.00 C ATOM 804 O LYS A 49 6.615 12.701 6.578 1.00 0.00 O ATOM 805 CB LYS A 49 5.660 15.500 4.948 1.00 0.00 C ATOM 806 CG LYS A 49 6.999 16.218 4.706 1.00 0.00 C ATOM 807 CD LYS A 49 7.312 17.146 5.883 1.00 0.00 C ATOM 808 CE LYS A 49 8.565 17.966 5.568 1.00 0.00 C ATOM 809 NZ LYS A 49 9.301 18.248 6.833 1.00 0.00 N ATOM 0 H LYS A 49 3.813 13.648 4.066 1.00 0.00 H new ATOM 0 HA LYS A 49 6.806 13.786 4.312 1.00 0.00 H new ATOM 0 HB2 LYS A 49 4.899 15.898 4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.317 15.688 5.966 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.798 15.486 4.586 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.952 16.793 3.781 1.00 0.00 H new ATOM 0 HD2 LYS A 49 6.468 17.810 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 49 7.466 16.561 6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.206 17.421 4.875 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.289 18.900 5.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 10.153 18.805 6.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 8.688 18.785 7.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.576 17.351 7.282 1.00 0.00 H new ATOM 823 N HIS A 50 4.476 13.235 6.606 1.00 0.00 N ATOM 824 CA HIS A 50 4.258 12.537 7.908 1.00 0.00 C ATOM 825 C HIS A 50 3.363 11.313 7.691 1.00 0.00 C ATOM 826 O HIS A 50 2.181 11.338 7.983 1.00 0.00 O ATOM 827 CB HIS A 50 3.584 13.497 8.893 1.00 0.00 C ATOM 828 CG HIS A 50 4.453 14.709 9.088 1.00 0.00 C ATOM 829 ND1 HIS A 50 5.766 14.616 9.525 1.00 0.00 N ATOM 830 CD2 HIS A 50 4.212 16.049 8.911 1.00 0.00 C ATOM 831 CE1 HIS A 50 6.258 15.866 9.596 1.00 0.00 C ATOM 832 NE2 HIS A 50 5.353 16.778 9.231 1.00 0.00 N ATOM 0 H HIS A 50 3.647 13.678 6.209 1.00 0.00 H new ATOM 0 HA HIS A 50 5.217 12.215 8.313 1.00 0.00 H new ATOM 0 HB2 HIS A 50 2.606 13.795 8.515 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.418 12.998 9.848 1.00 0.00 H new ATOM 0 HD2 HIS A 50 3.278 16.473 8.574 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.264 16.104 9.910 1.00 0.00 H new ATOM 0 HE2 HIS A 50 5.473 17.790 9.195 1.00 0.00 H new ATOM 840 N SER A 51 3.920 10.245 7.181 1.00 0.00 N ATOM 841 CA SER A 51 3.108 9.017 6.941 1.00 0.00 C ATOM 842 C SER A 51 4.003 7.777 7.027 1.00 0.00 C ATOM 843 O SER A 51 5.136 7.844 7.462 1.00 0.00 O ATOM 844 CB SER A 51 2.479 9.090 5.551 1.00 0.00 C ATOM 845 OG SER A 51 3.499 8.965 4.568 1.00 0.00 O ATOM 0 H SER A 51 4.903 10.171 6.920 1.00 0.00 H new ATOM 0 HA SER A 51 2.326 8.950 7.697 1.00 0.00 H new ATOM 0 HB2 SER A 51 1.742 8.296 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.952 10.036 5.427 1.00 0.00 H new ATOM 0 HG SER A 51 3.099 9.010 3.674 1.00 0.00 H new ATOM 851 N ASN A 52 3.492 6.645 6.612 1.00 0.00 N ATOM 852 CA ASN A 52 4.293 5.386 6.661 1.00 0.00 C ATOM 853 C ASN A 52 3.636 4.345 5.750 1.00 0.00 C ATOM 854 O ASN A 52 2.522 4.527 5.298 1.00 0.00 O ATOM 855 CB ASN A 52 4.336 4.867 8.104 1.00 0.00 C ATOM 856 CG ASN A 52 5.763 4.443 8.461 1.00 0.00 C ATOM 857 OD1 ASN A 52 6.127 3.295 8.300 1.00 0.00 O ATOM 858 ND2 ASN A 52 6.591 5.329 8.942 1.00 0.00 N ATOM 0 H ASN A 52 2.548 6.540 6.239 1.00 0.00 H new ATOM 0 HA ASN A 52 5.311 5.576 6.321 1.00 0.00 H new ATOM 0 HB2 ASN A 52 3.995 5.643 8.789 1.00 0.00 H new ATOM 0 HB3 ASN A 52 3.657 4.022 8.216 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.544 5.058 9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 52 6.285 6.293 9.077 1.00 0.00 H new ATOM 865 N PHE A 53 4.315 3.256 5.474 1.00 0.00 N ATOM 866 CA PHE A 53 3.730 2.199 4.583 1.00 0.00 C ATOM 867 C PHE A 53 2.353 1.769 5.111 1.00 0.00 C ATOM 868 O PHE A 53 1.466 1.425 4.348 1.00 0.00 O ATOM 869 CB PHE A 53 4.667 0.983 4.532 1.00 0.00 C ATOM 870 CG PHE A 53 5.101 0.595 5.929 1.00 0.00 C ATOM 871 CD1 PHE A 53 4.243 -0.144 6.751 1.00 0.00 C ATOM 872 CD2 PHE A 53 6.366 0.973 6.398 1.00 0.00 C ATOM 873 CE1 PHE A 53 4.648 -0.504 8.043 1.00 0.00 C ATOM 874 CE2 PHE A 53 6.770 0.614 7.688 1.00 0.00 C ATOM 875 CZ PHE A 53 5.912 -0.126 8.511 1.00 0.00 C ATOM 0 H PHE A 53 5.250 3.052 5.827 1.00 0.00 H new ATOM 0 HA PHE A 53 3.615 2.607 3.579 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.160 0.144 4.055 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.541 1.214 3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 53 3.268 -0.437 6.389 1.00 0.00 H new ATOM 0 HD2 PHE A 53 7.029 1.542 5.763 1.00 0.00 H new ATOM 0 HE1 PHE A 53 3.985 -1.073 8.678 1.00 0.00 H new ATOM 0 HE2 PHE A 53 7.744 0.908 8.050 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.225 -0.405 9.506 1.00 0.00 H new ATOM 885 N ALA A 54 2.171 1.798 6.405 1.00 0.00 N ATOM 886 CA ALA A 54 0.856 1.403 6.990 1.00 0.00 C ATOM 887 C ALA A 54 -0.205 2.429 6.579 1.00 0.00 C ATOM 888 O ALA A 54 -1.308 2.080 6.197 1.00 0.00 O ATOM 889 CB ALA A 54 0.971 1.359 8.516 1.00 0.00 C ATOM 0 H ALA A 54 2.879 2.079 7.084 1.00 0.00 H new ATOM 0 HA ALA A 54 0.569 0.417 6.624 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.011 1.071 8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.730 0.631 8.803 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.254 2.344 8.888 1.00 0.00 H new ATOM 895 N SER A 55 0.127 3.694 6.646 1.00 0.00 N ATOM 896 CA SER A 55 -0.850 4.755 6.256 1.00 0.00 C ATOM 897 C SER A 55 -1.172 4.629 4.763 1.00 0.00 C ATOM 898 O SER A 55 -2.249 4.984 4.323 1.00 0.00 O ATOM 899 CB SER A 55 -0.248 6.133 6.537 1.00 0.00 C ATOM 900 OG SER A 55 0.214 6.177 7.882 1.00 0.00 O ATOM 0 H SER A 55 1.036 4.038 6.955 1.00 0.00 H new ATOM 0 HA SER A 55 -1.766 4.636 6.835 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.575 6.330 5.851 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.994 6.910 6.371 1.00 0.00 H new ATOM 0 HG SER A 55 0.602 7.058 8.066 1.00 0.00 H new ATOM 906 N PHE A 56 -0.247 4.122 3.987 1.00 0.00 N ATOM 907 CA PHE A 56 -0.489 3.963 2.522 1.00 0.00 C ATOM 908 C PHE A 56 -1.614 2.954 2.311 1.00 0.00 C ATOM 909 O PHE A 56 -2.574 3.213 1.611 1.00 0.00 O ATOM 910 CB PHE A 56 0.792 3.449 1.854 1.00 0.00 C ATOM 911 CG PHE A 56 0.723 3.659 0.357 1.00 0.00 C ATOM 912 CD1 PHE A 56 0.357 4.905 -0.160 1.00 0.00 C ATOM 913 CD2 PHE A 56 1.035 2.605 -0.512 1.00 0.00 C ATOM 914 CE1 PHE A 56 0.301 5.102 -1.545 1.00 0.00 C ATOM 915 CE2 PHE A 56 0.980 2.802 -1.898 1.00 0.00 C ATOM 916 CZ PHE A 56 0.613 4.050 -2.414 1.00 0.00 C ATOM 0 H PHE A 56 0.670 3.810 4.308 1.00 0.00 H new ATOM 0 HA PHE A 56 -0.769 4.921 2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.658 3.971 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.925 2.390 2.074 1.00 0.00 H new ATOM 0 HD1 PHE A 56 0.117 5.717 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.318 1.642 -0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 56 0.017 6.065 -1.943 1.00 0.00 H new ATOM 0 HE2 PHE A 56 1.221 1.990 -2.569 1.00 0.00 H new ATOM 0 HZ PHE A 56 0.571 4.201 -3.482 1.00 0.00 H new ATOM 926 N VAL A 57 -1.496 1.808 2.921 1.00 0.00 N ATOM 927 CA VAL A 57 -2.550 0.759 2.780 1.00 0.00 C ATOM 928 C VAL A 57 -3.873 1.283 3.346 1.00 0.00 C ATOM 929 O VAL A 57 -4.938 0.856 2.943 1.00 0.00 O ATOM 930 CB VAL A 57 -2.123 -0.495 3.551 1.00 0.00 C ATOM 931 CG1 VAL A 57 -3.154 -1.609 3.347 1.00 0.00 C ATOM 932 CG2 VAL A 57 -0.760 -0.968 3.040 1.00 0.00 C ATOM 0 H VAL A 57 -0.709 1.549 3.516 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.681 0.512 1.726 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.056 -0.256 4.612 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.844 -2.497 3.898 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.126 -1.277 3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.227 -1.847 2.286 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.456 -1.860 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.831 -1.201 1.978 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.022 -0.180 3.190 1.00 0.00 H new ATOM 942 N ARG A 58 -3.813 2.199 4.280 1.00 0.00 N ATOM 943 CA ARG A 58 -5.065 2.752 4.877 1.00 0.00 C ATOM 944 C ARG A 58 -5.848 3.526 3.812 1.00 0.00 C ATOM 945 O ARG A 58 -6.999 3.235 3.542 1.00 0.00 O ATOM 946 CB ARG A 58 -4.699 3.692 6.024 1.00 0.00 C ATOM 947 CG ARG A 58 -5.882 3.814 6.985 1.00 0.00 C ATOM 948 CD ARG A 58 -5.371 4.225 8.366 1.00 0.00 C ATOM 949 NE ARG A 58 -6.457 4.050 9.372 1.00 0.00 N ATOM 950 CZ ARG A 58 -6.836 2.851 9.723 1.00 0.00 C ATOM 951 NH1 ARG A 58 -5.944 1.941 10.009 1.00 0.00 N ATOM 952 NH2 ARG A 58 -8.106 2.563 9.791 1.00 0.00 N ATOM 0 H ARG A 58 -2.948 2.588 4.655 1.00 0.00 H new ATOM 0 HA ARG A 58 -5.682 1.935 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.825 3.313 6.554 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.433 4.674 5.632 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.593 4.552 6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.413 2.864 7.049 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.506 3.620 8.640 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.041 5.264 8.349 1.00 0.00 H new ATOM 0 HE ARG A 58 -6.904 4.868 9.786 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.951 2.167 9.958 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.241 1.004 10.283 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.803 3.274 9.570 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.403 1.626 10.065 1.00 0.00 H new ATOM 966 N GLN A 59 -5.230 4.507 3.202 1.00 0.00 N ATOM 967 CA GLN A 59 -5.924 5.308 2.146 1.00 0.00 C ATOM 968 C GLN A 59 -6.425 4.391 1.022 1.00 0.00 C ATOM 969 O GLN A 59 -7.572 4.450 0.628 1.00 0.00 O ATOM 970 CB GLN A 59 -4.942 6.327 1.553 1.00 0.00 C ATOM 971 CG GLN A 59 -4.865 7.577 2.436 1.00 0.00 C ATOM 972 CD GLN A 59 -4.377 7.208 3.839 1.00 0.00 C ATOM 973 OE1 GLN A 59 -3.199 7.278 4.123 1.00 0.00 O ATOM 974 NE2 GLN A 59 -5.243 6.821 4.734 1.00 0.00 N ATOM 0 H GLN A 59 -4.268 4.789 3.391 1.00 0.00 H new ATOM 0 HA GLN A 59 -6.774 5.820 2.597 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.953 5.877 1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -5.259 6.604 0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -4.189 8.305 1.988 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -5.846 8.048 2.497 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.233 6.763 4.494 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -4.931 6.577 5.674 1.00 0.00 H new ATOM 983 N LEU A 60 -5.563 3.561 0.498 1.00 0.00 N ATOM 984 CA LEU A 60 -5.959 2.647 -0.616 1.00 0.00 C ATOM 985 C LEU A 60 -7.134 1.753 -0.206 1.00 0.00 C ATOM 986 O LEU A 60 -7.939 1.363 -1.031 1.00 0.00 O ATOM 987 CB LEU A 60 -4.766 1.763 -0.976 1.00 0.00 C ATOM 988 CG LEU A 60 -3.662 2.619 -1.597 1.00 0.00 C ATOM 989 CD1 LEU A 60 -2.335 1.863 -1.532 1.00 0.00 C ATOM 990 CD2 LEU A 60 -4.007 2.918 -3.058 1.00 0.00 C ATOM 0 H LEU A 60 -4.591 3.476 0.796 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.265 3.251 -1.470 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.392 1.259 -0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.074 0.986 -1.675 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.575 3.555 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.547 2.472 -1.975 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.088 1.650 -0.492 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.422 0.927 -2.083 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.220 3.528 -3.500 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.094 1.982 -3.610 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.953 3.457 -3.105 1.00 0.00 H new ATOM 1002 N ASN A 61 -7.227 1.407 1.050 1.00 0.00 N ATOM 1003 CA ASN A 61 -8.336 0.513 1.509 1.00 0.00 C ATOM 1004 C ASN A 61 -9.617 1.319 1.765 1.00 0.00 C ATOM 1005 O ASN A 61 -10.705 0.772 1.772 1.00 0.00 O ATOM 1006 CB ASN A 61 -7.913 -0.192 2.801 1.00 0.00 C ATOM 1007 CG ASN A 61 -7.317 -1.562 2.469 1.00 0.00 C ATOM 1008 OD1 ASN A 61 -6.195 -1.655 2.012 1.00 0.00 O ATOM 1009 ND2 ASN A 61 -8.027 -2.636 2.681 1.00 0.00 N ATOM 0 H ASN A 61 -6.582 1.705 1.782 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.538 -0.221 0.729 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.181 0.414 3.335 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.772 -0.309 3.461 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -7.640 -3.554 2.463 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.969 -2.557 3.065 1.00 0.00 H new ATOM 1016 N MET A 62 -9.500 2.603 1.989 1.00 0.00 N ATOM 1017 CA MET A 62 -10.713 3.433 2.262 1.00 0.00 C ATOM 1018 C MET A 62 -11.332 3.946 0.952 1.00 0.00 C ATOM 1019 O MET A 62 -12.446 4.437 0.949 1.00 0.00 O ATOM 1020 CB MET A 62 -10.322 4.629 3.134 1.00 0.00 C ATOM 1021 CG MET A 62 -10.507 4.267 4.609 1.00 0.00 C ATOM 1022 SD MET A 62 -12.274 4.132 4.979 1.00 0.00 S ATOM 1023 CE MET A 62 -12.171 4.562 6.733 1.00 0.00 C ATOM 0 H MET A 62 -8.617 3.113 1.995 1.00 0.00 H new ATOM 0 HA MET A 62 -11.448 2.814 2.777 1.00 0.00 H new ATOM 0 HB2 MET A 62 -9.285 4.908 2.944 1.00 0.00 H new ATOM 0 HB3 MET A 62 -10.936 5.493 2.881 1.00 0.00 H new ATOM 0 HG2 MET A 62 -10.005 3.325 4.829 1.00 0.00 H new ATOM 0 HG3 MET A 62 -10.049 5.027 5.242 1.00 0.00 H new ATOM 0 HE1 MET A 62 -13.168 4.541 7.172 1.00 0.00 H new ATOM 0 HE2 MET A 62 -11.533 3.843 7.247 1.00 0.00 H new ATOM 0 HE3 MET A 62 -11.750 5.562 6.838 1.00 0.00 H new ATOM 1033 N TYR A 63 -10.628 3.853 -0.152 1.00 0.00 N ATOM 1034 CA TYR A 63 -11.193 4.356 -1.441 1.00 0.00 C ATOM 1035 C TYR A 63 -11.730 3.191 -2.275 1.00 0.00 C ATOM 1036 O TYR A 63 -12.745 3.313 -2.937 1.00 0.00 O ATOM 1037 CB TYR A 63 -10.102 5.091 -2.222 1.00 0.00 C ATOM 1038 CG TYR A 63 -9.766 6.374 -1.503 1.00 0.00 C ATOM 1039 CD1 TYR A 63 -10.745 7.361 -1.344 1.00 0.00 C ATOM 1040 CD2 TYR A 63 -8.483 6.571 -0.984 1.00 0.00 C ATOM 1041 CE1 TYR A 63 -10.439 8.548 -0.668 1.00 0.00 C ATOM 1042 CE2 TYR A 63 -8.177 7.754 -0.303 1.00 0.00 C ATOM 1043 CZ TYR A 63 -9.155 8.744 -0.147 1.00 0.00 C ATOM 1044 OH TYR A 63 -8.853 9.910 0.525 1.00 0.00 O ATOM 0 H TYR A 63 -9.692 3.453 -0.214 1.00 0.00 H new ATOM 0 HA TYR A 63 -12.014 5.041 -1.227 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -9.214 4.465 -2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -10.443 5.305 -3.235 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -11.737 7.207 -1.743 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.728 5.809 -1.109 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.193 9.312 -0.549 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -7.187 7.904 0.102 1.00 0.00 H new ATOM 0 HH TYR A 63 -8.017 9.793 1.023 1.00 0.00 H new ATOM 1054 N GLY A 64 -11.063 2.065 -2.251 1.00 0.00 N ATOM 1055 CA GLY A 64 -11.539 0.894 -3.047 1.00 0.00 C ATOM 1056 C GLY A 64 -10.361 -0.023 -3.384 1.00 0.00 C ATOM 1057 O GLY A 64 -10.535 -1.206 -3.609 1.00 0.00 O ATOM 0 H GLY A 64 -10.210 1.906 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -12.291 0.342 -2.483 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -12.017 1.237 -3.964 1.00 0.00 H new ATOM 1061 N TRP A 65 -9.164 0.511 -3.423 1.00 0.00 N ATOM 1062 CA TRP A 65 -7.973 -0.331 -3.743 1.00 0.00 C ATOM 1063 C TRP A 65 -7.810 -1.407 -2.670 1.00 0.00 C ATOM 1064 O TRP A 65 -7.329 -1.144 -1.584 1.00 0.00 O ATOM 1065 CB TRP A 65 -6.722 0.548 -3.776 1.00 0.00 C ATOM 1066 CG TRP A 65 -6.828 1.531 -4.898 1.00 0.00 C ATOM 1067 CD1 TRP A 65 -7.180 2.829 -4.760 1.00 0.00 C ATOM 1068 CD2 TRP A 65 -6.588 1.319 -6.320 1.00 0.00 C ATOM 1069 NE1 TRP A 65 -7.171 3.430 -6.005 1.00 0.00 N ATOM 1070 CE2 TRP A 65 -6.812 2.540 -6.999 1.00 0.00 C ATOM 1071 CE3 TRP A 65 -6.202 0.199 -7.078 1.00 0.00 C ATOM 1072 CZ2 TRP A 65 -6.657 2.646 -8.381 1.00 0.00 C ATOM 1073 CZ3 TRP A 65 -6.044 0.303 -8.471 1.00 0.00 C ATOM 1074 CH2 TRP A 65 -6.272 1.524 -9.120 1.00 0.00 C ATOM 0 H TRP A 65 -8.962 1.495 -3.247 1.00 0.00 H new ATOM 0 HA TRP A 65 -8.111 -0.803 -4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.610 1.074 -2.828 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.834 -0.071 -3.904 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -7.428 3.317 -3.829 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -7.401 4.410 -6.170 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -6.026 -0.747 -6.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -6.833 3.589 -8.877 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -5.745 -0.562 -9.044 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -6.150 1.598 -10.191 1.00 0.00 H new ATOM 1085 N HIS A 66 -8.212 -2.617 -2.966 1.00 0.00 N ATOM 1086 CA HIS A 66 -8.088 -3.718 -1.968 1.00 0.00 C ATOM 1087 C HIS A 66 -7.085 -4.756 -2.475 1.00 0.00 C ATOM 1088 O HIS A 66 -6.396 -4.538 -3.455 1.00 0.00 O ATOM 1089 CB HIS A 66 -9.456 -4.378 -1.771 1.00 0.00 C ATOM 1090 CG HIS A 66 -10.418 -3.381 -1.185 1.00 0.00 C ATOM 1091 ND1 HIS A 66 -11.503 -2.893 -1.898 1.00 0.00 N ATOM 1092 CD2 HIS A 66 -10.475 -2.774 0.046 1.00 0.00 C ATOM 1093 CE1 HIS A 66 -12.159 -2.033 -1.098 1.00 0.00 C ATOM 1094 NE2 HIS A 66 -11.574 -1.923 0.099 1.00 0.00 N ATOM 0 H HIS A 66 -8.622 -2.889 -3.860 1.00 0.00 H new ATOM 0 HA HIS A 66 -7.739 -3.314 -1.018 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -9.834 -4.746 -2.725 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -9.363 -5.240 -1.111 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -9.773 -2.933 0.851 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -13.050 -1.496 -1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -11.870 -1.341 0.882 1.00 0.00 H new ATOM 1334 N ARG A 83 6.434 -9.279 -2.731 1.00 0.00 N ATOM 1335 CA ARG A 83 5.516 -9.234 -3.905 1.00 0.00 C ATOM 1336 C ARG A 83 4.080 -9.006 -3.422 1.00 0.00 C ATOM 1337 O ARG A 83 3.430 -9.914 -2.940 1.00 0.00 O ATOM 1338 CB ARG A 83 5.600 -10.563 -4.657 1.00 0.00 C ATOM 1339 CG ARG A 83 4.912 -10.426 -6.016 1.00 0.00 C ATOM 1340 CD ARG A 83 5.940 -10.046 -7.091 1.00 0.00 C ATOM 1341 NE ARG A 83 6.059 -11.154 -8.081 1.00 0.00 N ATOM 1342 CZ ARG A 83 7.127 -11.249 -8.826 1.00 0.00 C ATOM 1343 NH1 ARG A 83 8.307 -11.304 -8.270 1.00 0.00 N ATOM 1344 NH2 ARG A 83 7.016 -11.289 -10.126 1.00 0.00 N ATOM 0 HA ARG A 83 5.806 -8.419 -4.568 1.00 0.00 H new ATOM 0 HB2 ARG A 83 6.643 -10.851 -4.793 1.00 0.00 H new ATOM 0 HB3 ARG A 83 5.125 -11.353 -4.075 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.425 -11.364 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.132 -9.666 -5.963 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.635 -9.128 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.908 -9.851 -6.630 1.00 0.00 H new ATOM 0 HE ARG A 83 5.307 -11.837 -8.176 1.00 0.00 H new ATOM 0 HH11 ARG A 83 8.394 -11.273 -7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 83 9.142 -11.378 -8.851 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.094 -11.246 -10.561 1.00 0.00 H new ATOM 0 HH22 ARG A 83 7.851 -11.363 -10.707 1.00 0.00 H new ATOM 1358 N TRP A 84 3.585 -7.800 -3.550 1.00 0.00 N ATOM 1359 CA TRP A 84 2.190 -7.504 -3.101 1.00 0.00 C ATOM 1360 C TRP A 84 1.296 -7.277 -4.322 1.00 0.00 C ATOM 1361 O TRP A 84 1.772 -6.987 -5.402 1.00 0.00 O ATOM 1362 CB TRP A 84 2.184 -6.241 -2.236 1.00 0.00 C ATOM 1363 CG TRP A 84 2.826 -6.529 -0.918 1.00 0.00 C ATOM 1364 CD1 TRP A 84 4.097 -6.958 -0.751 1.00 0.00 C ATOM 1365 CD2 TRP A 84 2.252 -6.413 0.417 1.00 0.00 C ATOM 1366 NE1 TRP A 84 4.342 -7.110 0.602 1.00 0.00 N ATOM 1367 CE2 TRP A 84 3.234 -6.788 1.364 1.00 0.00 C ATOM 1368 CE3 TRP A 84 0.986 -6.023 0.892 1.00 0.00 C ATOM 1369 CZ2 TRP A 84 2.969 -6.775 2.735 1.00 0.00 C ATOM 1370 CZ3 TRP A 84 0.717 -6.009 2.269 1.00 0.00 C ATOM 1371 CH2 TRP A 84 1.706 -6.385 3.189 1.00 0.00 C ATOM 0 H TRP A 84 4.088 -7.006 -3.947 1.00 0.00 H new ATOM 0 HA TRP A 84 1.815 -8.347 -2.521 1.00 0.00 H new ATOM 0 HB2 TRP A 84 2.719 -5.438 -2.744 1.00 0.00 H new ATOM 0 HB3 TRP A 84 1.161 -5.897 -2.085 1.00 0.00 H new ATOM 0 HD1 TRP A 84 4.805 -7.150 -1.544 1.00 0.00 H new ATOM 0 HE1 TRP A 84 5.232 -7.422 0.990 1.00 0.00 H new ATOM 0 HE3 TRP A 84 0.216 -5.733 0.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 3.735 -7.064 3.440 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -0.258 -5.707 2.622 1.00 0.00 H new ATOM 0 HH2 TRP A 84 1.492 -6.373 4.248 1.00 0.00 H new ATOM 1382 N GLU A 85 0.004 -7.401 -4.153 1.00 0.00 N ATOM 1383 CA GLU A 85 -0.930 -7.188 -5.297 1.00 0.00 C ATOM 1384 C GLU A 85 -2.070 -6.263 -4.857 1.00 0.00 C ATOM 1385 O GLU A 85 -2.384 -6.165 -3.686 1.00 0.00 O ATOM 1386 CB GLU A 85 -1.503 -8.538 -5.753 1.00 0.00 C ATOM 1387 CG GLU A 85 -0.890 -8.932 -7.100 1.00 0.00 C ATOM 1388 CD GLU A 85 -1.833 -8.521 -8.234 1.00 0.00 C ATOM 1389 OE1 GLU A 85 -2.386 -7.436 -8.153 1.00 0.00 O ATOM 1390 OE2 GLU A 85 -1.987 -9.298 -9.162 1.00 0.00 O ATOM 0 H GLU A 85 -0.444 -7.641 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.392 -6.730 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.290 -9.304 -5.008 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -2.587 -8.472 -5.842 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.079 -8.448 -7.226 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -0.715 -10.007 -7.131 1.00 0.00 H new ATOM 1397 N PHE A 86 -2.686 -5.585 -5.792 1.00 0.00 N ATOM 1398 CA PHE A 86 -3.807 -4.660 -5.447 1.00 0.00 C ATOM 1399 C PHE A 86 -4.930 -4.815 -6.479 1.00 0.00 C ATOM 1400 O PHE A 86 -4.829 -4.331 -7.591 1.00 0.00 O ATOM 1401 CB PHE A 86 -3.299 -3.214 -5.459 1.00 0.00 C ATOM 1402 CG PHE A 86 -2.334 -2.999 -4.315 1.00 0.00 C ATOM 1403 CD1 PHE A 86 -1.028 -3.500 -4.395 1.00 0.00 C ATOM 1404 CD2 PHE A 86 -2.744 -2.297 -3.174 1.00 0.00 C ATOM 1405 CE1 PHE A 86 -0.134 -3.300 -3.337 1.00 0.00 C ATOM 1406 CE2 PHE A 86 -1.849 -2.095 -2.116 1.00 0.00 C ATOM 1407 CZ PHE A 86 -0.544 -2.597 -2.197 1.00 0.00 C ATOM 0 H PHE A 86 -2.459 -5.633 -6.785 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.187 -4.903 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -2.806 -3.000 -6.407 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.138 -2.524 -5.373 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -0.711 -4.041 -5.274 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.751 -1.911 -3.110 1.00 0.00 H new ATOM 0 HE1 PHE A 86 0.872 -3.688 -3.400 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -2.165 -1.552 -1.238 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.146 -2.442 -1.381 1.00 0.00 H new ATOM 1417 N GLU A 87 -5.994 -5.490 -6.121 1.00 0.00 N ATOM 1418 CA GLU A 87 -7.124 -5.686 -7.079 1.00 0.00 C ATOM 1419 C GLU A 87 -8.294 -4.772 -6.698 1.00 0.00 C ATOM 1420 O GLU A 87 -8.427 -4.358 -5.561 1.00 0.00 O ATOM 1421 CB GLU A 87 -7.589 -7.148 -7.030 1.00 0.00 C ATOM 1422 CG GLU A 87 -6.939 -7.936 -8.169 1.00 0.00 C ATOM 1423 CD GLU A 87 -7.653 -9.281 -8.331 1.00 0.00 C ATOM 1424 OE1 GLU A 87 -8.851 -9.269 -8.555 1.00 0.00 O ATOM 1425 OE2 GLU A 87 -6.987 -10.299 -8.227 1.00 0.00 O ATOM 0 H GLU A 87 -6.128 -5.915 -5.203 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.785 -5.440 -8.085 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -7.324 -7.592 -6.070 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.675 -7.197 -7.115 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.996 -7.368 -9.097 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.882 -8.096 -7.958 1.00 0.00 H new