USER MOD reduce.3.24.130724 H: found=0, std=0, add=660, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 660 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 27 LYS NZ :NH3+ -113:sc= -5.16! (180deg=-0.437) USER MOD Set 1.2: A 84 MET CE :methyl -146:sc= -23.1! (180deg=-14.6!) USER MOD Set 2.1: A 4 ASN : amide:sc= -22.3! C(o=-40!,f=-38!) USER MOD Set 2.2: A 62 ASN : amide:sc= -17.6! C(o=-40!,f=-52!) USER MOD Single : A 1 MET CE :methyl -150:sc= -0.957! (180deg=-4.19!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.0723 USER MOD Single : A 10 SER OG : rot 180:sc= -0.394 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 CYS SG : rot 180:sc= -2.78! USER MOD Single : A 15 TYR OH : rot 180:sc= -0.0259 USER MOD Single : A 16 CYS SG : rot 20:sc= -4.71! USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 165:sc= -7.93! (180deg=-9.19!) USER MOD Single : A 51 TYR OH : rot 180:sc= -5.91! USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot -150:sc= -0.256 USER MOD Single : A 81 ASN : amide:sc= -2.4! K(o=-2.4!,f=-0.66) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.467 -3.586 9.950 1.00 0.00 N ATOM 2 CA MET A 1 -11.163 -2.772 8.737 1.00 0.00 C ATOM 3 C MET A 1 -11.269 -3.639 7.479 1.00 0.00 C ATOM 4 O MET A 1 -10.758 -4.740 7.428 1.00 0.00 O ATOM 5 CB MET A 1 -9.726 -2.286 8.934 1.00 0.00 C ATOM 6 CG MET A 1 -9.115 -1.929 7.578 1.00 0.00 C ATOM 7 SD MET A 1 -8.081 -0.454 7.752 1.00 0.00 S ATOM 8 CE MET A 1 -9.284 0.565 8.639 1.00 0.00 C ATOM 0 H1 MET A 1 -11.392 -2.988 10.797 1.00 0.00 H new ATOM 0 H2 MET A 1 -12.432 -3.967 9.879 1.00 0.00 H new ATOM 0 H3 MET A 1 -10.789 -4.371 10.020 1.00 0.00 H new ATOM 0 HA MET A 1 -11.859 -1.943 8.611 1.00 0.00 H new ATOM 0 HB2 MET A 1 -9.712 -1.416 9.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 -9.132 -3.061 9.419 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.519 -2.762 7.205 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.904 -1.749 6.848 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.117 1.615 8.401 1.00 0.00 H new ATOM 0 HE2 MET A 1 -10.293 0.281 8.339 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.168 0.414 9.712 1.00 0.00 H new ATOM 20 N VAL A 2 -11.927 -3.149 6.465 1.00 0.00 N ATOM 21 CA VAL A 2 -12.063 -3.942 5.211 1.00 0.00 C ATOM 22 C VAL A 2 -10.794 -3.823 4.366 1.00 0.00 C ATOM 23 O VAL A 2 -9.859 -4.581 4.514 1.00 0.00 O ATOM 24 CB VAL A 2 -13.242 -3.322 4.465 1.00 0.00 C ATOM 25 CG1 VAL A 2 -13.198 -1.798 4.617 1.00 0.00 C ATOM 26 CG2 VAL A 2 -13.146 -3.694 2.982 1.00 0.00 C ATOM 0 H VAL A 2 -12.377 -2.234 6.451 1.00 0.00 H new ATOM 0 HA VAL A 2 -12.218 -5.001 5.419 1.00 0.00 H new ATOM 0 HB VAL A 2 -14.179 -3.697 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -14.040 -1.355 4.085 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -13.258 -1.536 5.673 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -12.265 -1.418 4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -13.985 -3.255 2.442 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -12.211 -3.314 2.571 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -13.174 -4.779 2.876 1.00 0.00 H new ATOM 36 N VAL A 3 -10.773 -2.884 3.461 1.00 0.00 N ATOM 37 CA VAL A 3 -9.591 -2.701 2.593 1.00 0.00 C ATOM 38 C VAL A 3 -8.616 -1.696 3.216 1.00 0.00 C ATOM 39 O VAL A 3 -8.984 -0.577 3.519 1.00 0.00 O ATOM 40 CB VAL A 3 -10.165 -2.188 1.279 1.00 0.00 C ATOM 41 CG1 VAL A 3 -9.039 -1.699 0.374 1.00 0.00 C ATOM 42 CG2 VAL A 3 -10.923 -3.319 0.588 1.00 0.00 C ATOM 0 H VAL A 3 -11.537 -2.231 3.289 1.00 0.00 H new ATOM 0 HA VAL A 3 -9.020 -3.619 2.455 1.00 0.00 H new ATOM 0 HB VAL A 3 -10.843 -1.358 1.480 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -9.458 -1.334 -0.564 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -8.499 -0.892 0.869 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -8.354 -2.522 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -11.336 -2.958 -0.354 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -10.242 -4.147 0.391 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -11.733 -3.661 1.232 1.00 0.00 H new ATOM 52 N ASN A 4 -7.368 -2.060 3.330 1.00 0.00 N ATOM 53 CA ASN A 4 -6.371 -1.112 3.922 1.00 0.00 C ATOM 54 C ASN A 4 -5.066 -1.222 3.134 1.00 0.00 C ATOM 55 O ASN A 4 -4.369 -2.196 3.152 1.00 0.00 O ATOM 56 CB ASN A 4 -6.128 -1.641 5.351 1.00 0.00 C ATOM 57 CG ASN A 4 -5.408 -0.564 6.167 1.00 0.00 C ATOM 58 OD1 ASN A 4 -5.750 0.598 6.093 1.00 0.00 O ATOM 59 ND2 ASN A 4 -4.412 -0.901 6.942 1.00 0.00 N ATOM 0 H ASN A 4 -6.994 -2.964 3.043 1.00 0.00 H new ATOM 0 HA ASN A 4 -6.712 -0.077 3.907 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -7.076 -1.899 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -5.529 -2.551 5.318 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -3.923 -0.188 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -4.123 -1.877 7.006 1.00 0.00 H new ATOM 66 N ILE A 5 -4.773 -0.201 2.362 1.00 0.00 N ATOM 67 CA ILE A 5 -3.545 -0.211 1.531 1.00 0.00 C ATOM 68 C ILE A 5 -2.804 1.124 1.586 1.00 0.00 C ATOM 69 O ILE A 5 -3.431 2.161 1.425 1.00 0.00 O ATOM 70 CB ILE A 5 -3.983 -0.566 0.133 1.00 0.00 C ATOM 71 CG1 ILE A 5 -5.084 -1.631 0.198 1.00 0.00 C ATOM 72 CG2 ILE A 5 -2.791 -1.108 -0.660 1.00 0.00 C ATOM 73 CD1 ILE A 5 -4.887 -2.635 -0.936 1.00 0.00 C ATOM 0 H ILE A 5 -5.342 0.641 2.278 1.00 0.00 H new ATOM 0 HA ILE A 5 -2.828 -0.941 1.906 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.368 0.325 -0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.054 -2.142 1.160 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -6.064 -1.162 0.117 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.112 -1.363 -1.670 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -2.011 -0.349 -0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.401 -1.998 -0.167 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.669 -3.393 -0.891 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.938 -2.117 -1.894 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -3.913 -3.113 -0.834 1.00 0.00 H new ATOM 85 N GLU A 6 -1.513 1.129 1.723 1.00 0.00 N ATOM 86 CA GLU A 6 -0.813 2.432 1.700 1.00 0.00 C ATOM 87 C GLU A 6 0.232 2.405 0.581 1.00 0.00 C ATOM 88 O GLU A 6 1.325 1.908 0.709 1.00 0.00 O ATOM 89 CB GLU A 6 -0.089 2.488 3.069 1.00 0.00 C ATOM 90 CG GLU A 6 0.525 3.876 3.277 1.00 0.00 C ATOM 91 CD GLU A 6 -0.303 4.912 2.516 1.00 0.00 C ATOM 92 OE1 GLU A 6 -0.197 4.949 1.299 1.00 0.00 O ATOM 93 OE2 GLU A 6 -1.026 5.652 3.159 1.00 0.00 O ATOM 0 H GLU A 6 -0.924 0.306 1.847 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.478 3.280 1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -0.793 2.268 3.872 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.690 1.726 3.110 1.00 0.00 H new ATOM 0 HG2 GLU A 6 0.549 4.121 4.339 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.556 3.887 2.924 1.00 0.00 H new ATOM 100 N VAL A 7 -0.086 3.032 -0.529 1.00 0.00 N ATOM 101 CA VAL A 7 0.865 3.017 -1.674 1.00 0.00 C ATOM 102 C VAL A 7 1.720 4.278 -1.642 1.00 0.00 C ATOM 103 O VAL A 7 1.297 5.374 -1.892 1.00 0.00 O ATOM 104 CB VAL A 7 -0.029 3.048 -2.936 1.00 0.00 C ATOM 105 CG1 VAL A 7 -0.856 1.766 -3.014 1.00 0.00 C ATOM 106 CG2 VAL A 7 -0.971 4.253 -2.880 1.00 0.00 C ATOM 0 H VAL A 7 -0.953 3.546 -0.685 1.00 0.00 H new ATOM 0 HA VAL A 7 1.527 2.151 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 7 0.608 3.127 -3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -1.484 1.792 -3.904 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -0.189 0.905 -3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.486 1.685 -2.128 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -1.597 4.267 -3.772 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.603 4.180 -1.995 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -0.385 5.171 -2.833 1.00 0.00 H new ATOM 116 N PHE A 8 2.975 4.101 -1.257 1.00 0.00 N ATOM 117 CA PHE A 8 3.899 5.266 -1.170 1.00 0.00 C ATOM 118 C PHE A 8 5.063 5.078 -2.148 1.00 0.00 C ATOM 119 O PHE A 8 5.987 4.335 -1.891 1.00 0.00 O ATOM 120 CB PHE A 8 4.392 5.247 0.278 1.00 0.00 C ATOM 121 CG PHE A 8 5.740 5.918 0.373 1.00 0.00 C ATOM 122 CD1 PHE A 8 6.907 5.198 0.079 1.00 0.00 C ATOM 123 CD2 PHE A 8 5.830 7.258 0.755 1.00 0.00 C ATOM 124 CE1 PHE A 8 8.160 5.822 0.172 1.00 0.00 C ATOM 125 CE2 PHE A 8 7.079 7.879 0.846 1.00 0.00 C ATOM 126 CZ PHE A 8 8.243 7.162 0.557 1.00 0.00 C ATOM 0 H PHE A 8 3.385 3.202 -1.004 1.00 0.00 H new ATOM 0 HA PHE A 8 3.423 6.212 -1.428 1.00 0.00 H new ATOM 0 HB2 PHE A 8 3.676 5.758 0.921 1.00 0.00 H new ATOM 0 HB3 PHE A 8 4.462 4.219 0.633 1.00 0.00 H new ATOM 0 HD1 PHE A 8 6.841 4.162 -0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 8 4.933 7.816 0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 8 9.059 5.267 -0.054 1.00 0.00 H new ATOM 0 HE2 PHE A 8 7.145 8.916 1.141 1.00 0.00 H new ATOM 0 HZ PHE A 8 9.207 7.644 0.631 1.00 0.00 H new ATOM 136 N THR A 9 5.025 5.744 -3.265 1.00 0.00 N ATOM 137 CA THR A 9 6.128 5.610 -4.259 1.00 0.00 C ATOM 138 C THR A 9 6.554 6.988 -4.764 1.00 0.00 C ATOM 139 O THR A 9 7.672 7.405 -4.600 1.00 0.00 O ATOM 140 CB THR A 9 5.555 4.753 -5.381 1.00 0.00 C ATOM 141 OG1 THR A 9 6.252 3.518 -5.438 1.00 0.00 O ATOM 142 CG2 THR A 9 5.705 5.488 -6.715 1.00 0.00 C ATOM 0 H THR A 9 4.274 6.379 -3.536 1.00 0.00 H new ATOM 0 HA THR A 9 7.021 5.152 -3.832 1.00 0.00 H new ATOM 0 HB THR A 9 4.499 4.564 -5.189 1.00 0.00 H new ATOM 0 HG1 THR A 9 5.882 2.966 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 9 5.295 4.874 -7.517 1.00 0.00 H new ATOM 0 HG22 THR A 9 5.167 6.435 -6.671 1.00 0.00 H new ATOM 0 HG23 THR A 9 6.761 5.679 -6.908 1.00 0.00 H new ATOM 150 N SER A 10 5.651 7.699 -5.398 1.00 0.00 N ATOM 151 CA SER A 10 6.013 9.042 -5.923 1.00 0.00 C ATOM 152 C SER A 10 4.794 9.749 -6.518 1.00 0.00 C ATOM 153 O SER A 10 3.926 9.127 -7.095 1.00 0.00 O ATOM 154 CB SER A 10 7.056 8.780 -7.016 1.00 0.00 C ATOM 155 OG SER A 10 7.844 9.950 -7.201 1.00 0.00 O ATOM 0 H SER A 10 4.689 7.406 -5.570 1.00 0.00 H new ATOM 0 HA SER A 10 6.393 9.688 -5.132 1.00 0.00 H new ATOM 0 HB2 SER A 10 7.691 7.940 -6.735 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.562 8.508 -7.949 1.00 0.00 H new ATOM 0 HG SER A 10 8.513 9.787 -7.898 1.00 0.00 H new ATOM 161 N PRO A 11 4.772 11.046 -6.337 1.00 0.00 N ATOM 162 CA PRO A 11 3.651 11.875 -6.840 1.00 0.00 C ATOM 163 C PRO A 11 3.777 12.086 -8.353 1.00 0.00 C ATOM 164 O PRO A 11 2.878 12.591 -8.994 1.00 0.00 O ATOM 165 CB PRO A 11 3.822 13.196 -6.099 1.00 0.00 C ATOM 166 CG PRO A 11 5.275 13.265 -5.745 1.00 0.00 C ATOM 167 CD PRO A 11 5.788 11.852 -5.646 1.00 0.00 C ATOM 0 HA PRO A 11 2.675 11.418 -6.674 1.00 0.00 H new ATOM 0 HB2 PRO A 11 3.529 14.039 -6.725 1.00 0.00 H new ATOM 0 HB3 PRO A 11 3.198 13.230 -5.206 1.00 0.00 H new ATOM 0 HG2 PRO A 11 5.828 13.821 -6.503 1.00 0.00 H new ATOM 0 HG3 PRO A 11 5.414 13.790 -4.800 1.00 0.00 H new ATOM 0 HD2 PRO A 11 6.765 11.750 -6.118 1.00 0.00 H new ATOM 0 HD3 PRO A 11 5.902 11.542 -4.607 1.00 0.00 H new ATOM 175 N THR A 12 4.884 11.703 -8.927 1.00 0.00 N ATOM 176 CA THR A 12 5.049 11.887 -10.398 1.00 0.00 C ATOM 177 C THR A 12 4.298 10.786 -11.146 1.00 0.00 C ATOM 178 O THR A 12 4.260 10.757 -12.361 1.00 0.00 O ATOM 179 CB THR A 12 6.566 11.774 -10.637 1.00 0.00 C ATOM 180 OG1 THR A 12 6.960 12.741 -11.600 1.00 0.00 O ATOM 181 CG2 THR A 12 6.907 10.373 -11.147 1.00 0.00 C ATOM 0 H THR A 12 5.675 11.274 -8.447 1.00 0.00 H new ATOM 0 HA THR A 12 4.652 12.838 -10.752 1.00 0.00 H new ATOM 0 HB THR A 12 7.096 11.951 -9.701 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.925 12.674 -11.754 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.981 10.298 -11.315 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.603 9.632 -10.407 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.380 10.188 -12.083 1.00 0.00 H new ATOM 189 N CYS A 13 3.748 9.848 -10.427 1.00 0.00 N ATOM 190 CA CYS A 13 3.001 8.734 -11.070 1.00 0.00 C ATOM 191 C CYS A 13 2.075 8.066 -10.051 1.00 0.00 C ATOM 192 O CYS A 13 1.896 8.550 -8.955 1.00 0.00 O ATOM 193 CB CYS A 13 4.060 7.799 -11.605 1.00 0.00 C ATOM 194 SG CYS A 13 4.526 6.632 -10.303 1.00 0.00 S ATOM 0 H CYS A 13 3.785 9.806 -9.409 1.00 0.00 H new ATOM 0 HA CYS A 13 2.351 9.067 -11.879 1.00 0.00 H new ATOM 0 HB2 CYS A 13 3.683 7.262 -12.475 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.932 8.365 -11.933 1.00 0.00 H new ATOM 0 HG CYS A 13 5.436 5.820 -10.753 1.00 0.00 H new ATOM 200 N PRO A 14 1.589 6.910 -10.426 1.00 0.00 N ATOM 201 CA PRO A 14 0.736 6.118 -9.520 1.00 0.00 C ATOM 202 C PRO A 14 1.593 5.278 -8.570 1.00 0.00 C ATOM 203 O PRO A 14 2.340 4.418 -8.994 1.00 0.00 O ATOM 204 CB PRO A 14 -0.046 5.222 -10.473 1.00 0.00 C ATOM 205 CG PRO A 14 0.812 5.089 -11.697 1.00 0.00 C ATOM 206 CD PRO A 14 1.784 6.243 -11.718 1.00 0.00 C ATOM 0 HA PRO A 14 0.096 6.732 -8.886 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -0.242 4.248 -10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -1.013 5.660 -10.718 1.00 0.00 H new ATOM 0 HG2 PRO A 14 1.348 4.140 -11.684 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.196 5.095 -12.596 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.811 5.895 -11.834 1.00 0.00 H new ATOM 0 HD3 PRO A 14 1.580 6.919 -12.549 1.00 0.00 H new ATOM 214 N TYR A 15 1.491 5.514 -7.292 1.00 0.00 N ATOM 215 CA TYR A 15 2.302 4.720 -6.324 1.00 0.00 C ATOM 216 C TYR A 15 2.153 3.225 -6.634 1.00 0.00 C ATOM 217 O TYR A 15 2.962 2.642 -7.327 1.00 0.00 O ATOM 218 CB TYR A 15 1.720 5.053 -4.947 1.00 0.00 C ATOM 219 CG TYR A 15 1.367 6.519 -4.883 1.00 0.00 C ATOM 220 CD1 TYR A 15 2.208 7.470 -5.475 1.00 0.00 C ATOM 221 CD2 TYR A 15 0.196 6.928 -4.235 1.00 0.00 C ATOM 222 CE1 TYR A 15 1.878 8.828 -5.416 1.00 0.00 C ATOM 223 CE2 TYR A 15 -0.134 8.288 -4.176 1.00 0.00 C ATOM 224 CZ TYR A 15 0.708 9.238 -4.767 1.00 0.00 C ATOM 225 OH TYR A 15 0.385 10.577 -4.708 1.00 0.00 O ATOM 0 H TYR A 15 0.884 6.220 -6.876 1.00 0.00 H new ATOM 0 HA TYR A 15 3.365 4.954 -6.374 1.00 0.00 H new ATOM 0 HB2 TYR A 15 0.833 4.447 -4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.442 4.809 -4.168 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.111 7.155 -5.977 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -0.454 6.195 -3.780 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.527 9.561 -5.872 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -1.037 8.604 -3.675 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.459 10.689 -4.223 1.00 0.00 H new ATOM 235 N CYS A 16 1.115 2.602 -6.136 1.00 0.00 N ATOM 236 CA CYS A 16 0.899 1.151 -6.411 1.00 0.00 C ATOM 237 C CYS A 16 -0.591 0.809 -6.280 1.00 0.00 C ATOM 238 O CYS A 16 -0.947 -0.229 -5.755 1.00 0.00 O ATOM 239 CB CYS A 16 1.710 0.423 -5.343 1.00 0.00 C ATOM 240 SG CYS A 16 3.465 0.462 -5.781 1.00 0.00 S ATOM 0 H CYS A 16 0.405 3.039 -5.548 1.00 0.00 H new ATOM 0 HA CYS A 16 1.205 0.868 -7.418 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.557 0.894 -4.372 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.370 -0.609 -5.254 1.00 0.00 H new ATOM 0 HG CYS A 16 3.680 1.427 -6.625 1.00 0.00 H new ATOM 246 N PRO A 17 -1.416 1.705 -6.758 1.00 0.00 N ATOM 247 CA PRO A 17 -2.888 1.512 -6.689 1.00 0.00 C ATOM 248 C PRO A 17 -3.356 0.461 -7.702 1.00 0.00 C ATOM 249 O PRO A 17 -4.461 0.527 -8.205 1.00 0.00 O ATOM 250 CB PRO A 17 -3.443 2.882 -7.062 1.00 0.00 C ATOM 251 CG PRO A 17 -2.371 3.516 -7.891 1.00 0.00 C ATOM 252 CD PRO A 17 -1.058 2.974 -7.401 1.00 0.00 C ATOM 0 HA PRO A 17 -3.218 1.160 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -4.374 2.793 -7.621 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -3.660 3.476 -6.174 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -2.513 3.286 -8.947 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -2.400 4.601 -7.795 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.358 2.822 -8.222 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -0.581 3.657 -6.698 1.00 0.00 H new ATOM 260 N MET A 18 -2.534 -0.501 -8.011 1.00 0.00 N ATOM 261 CA MET A 18 -2.950 -1.539 -8.998 1.00 0.00 C ATOM 262 C MET A 18 -3.162 -2.880 -8.303 1.00 0.00 C ATOM 263 O MET A 18 -4.245 -3.430 -8.304 1.00 0.00 O ATOM 264 CB MET A 18 -1.787 -1.638 -9.982 1.00 0.00 C ATOM 265 CG MET A 18 -2.190 -2.521 -11.166 1.00 0.00 C ATOM 266 SD MET A 18 -1.058 -3.930 -11.281 1.00 0.00 S ATOM 267 CE MET A 18 -2.309 -5.201 -11.586 1.00 0.00 C ATOM 0 H MET A 18 -1.596 -0.615 -7.626 1.00 0.00 H new ATOM 0 HA MET A 18 -3.888 -1.281 -9.490 1.00 0.00 H new ATOM 0 HB2 MET A 18 -1.510 -0.644 -10.334 1.00 0.00 H new ATOM 0 HB3 MET A 18 -0.911 -2.056 -9.485 1.00 0.00 H new ATOM 0 HG2 MET A 18 -3.214 -2.873 -11.039 1.00 0.00 H new ATOM 0 HG3 MET A 18 -2.164 -1.943 -12.090 1.00 0.00 H new ATOM 0 HE1 MET A 18 -1.824 -6.171 -11.691 1.00 0.00 H new ATOM 0 HE2 MET A 18 -3.007 -5.233 -10.749 1.00 0.00 H new ATOM 0 HE3 MET A 18 -2.851 -4.965 -12.502 1.00 0.00 H new ATOM 277 N ALA A 19 -2.130 -3.413 -7.716 1.00 0.00 N ATOM 278 CA ALA A 19 -2.264 -4.724 -7.026 1.00 0.00 C ATOM 279 C ALA A 19 -3.336 -4.638 -5.941 1.00 0.00 C ATOM 280 O ALA A 19 -3.879 -5.634 -5.508 1.00 0.00 O ATOM 281 CB ALA A 19 -0.901 -4.978 -6.403 1.00 0.00 C ATOM 0 H ALA A 19 -1.199 -2.998 -7.684 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.560 -5.523 -7.706 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.915 -5.930 -5.873 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.143 -5.010 -7.186 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.666 -4.176 -5.703 1.00 0.00 H new ATOM 287 N ILE A 20 -3.651 -3.451 -5.511 1.00 0.00 N ATOM 288 CA ILE A 20 -4.691 -3.293 -4.461 1.00 0.00 C ATOM 289 C ILE A 20 -6.070 -3.496 -5.076 1.00 0.00 C ATOM 290 O ILE A 20 -6.938 -4.106 -4.489 1.00 0.00 O ATOM 291 CB ILE A 20 -4.537 -1.863 -3.951 1.00 0.00 C ATOM 292 CG1 ILE A 20 -5.026 -0.881 -5.018 1.00 0.00 C ATOM 293 CG2 ILE A 20 -3.063 -1.587 -3.642 1.00 0.00 C ATOM 294 CD1 ILE A 20 -5.100 0.526 -4.427 1.00 0.00 C ATOM 0 H ILE A 20 -3.232 -2.582 -5.842 1.00 0.00 H new ATOM 0 HA ILE A 20 -4.582 -4.018 -3.654 1.00 0.00 H new ATOM 0 HB ILE A 20 -5.129 -1.737 -3.045 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.350 -0.892 -5.873 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -6.007 -1.185 -5.383 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.953 -0.566 -3.278 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.714 -2.284 -2.880 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.471 -1.715 -4.548 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -5.448 1.223 -5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -5.793 0.531 -3.586 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -4.111 0.829 -4.084 1.00 0.00 H new ATOM 306 N GLU A 21 -6.273 -3.005 -6.269 1.00 0.00 N ATOM 307 CA GLU A 21 -7.591 -3.194 -6.921 1.00 0.00 C ATOM 308 C GLU A 21 -7.961 -4.670 -6.828 1.00 0.00 C ATOM 309 O GLU A 21 -9.105 -5.027 -6.636 1.00 0.00 O ATOM 310 CB GLU A 21 -7.386 -2.770 -8.377 1.00 0.00 C ATOM 311 CG GLU A 21 -8.665 -3.036 -9.172 1.00 0.00 C ATOM 312 CD GLU A 21 -8.427 -2.707 -10.646 1.00 0.00 C ATOM 313 OE1 GLU A 21 -7.346 -2.997 -11.131 1.00 0.00 O ATOM 314 OE2 GLU A 21 -9.330 -2.171 -11.267 1.00 0.00 O ATOM 0 H GLU A 21 -5.585 -2.485 -6.814 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.391 -2.616 -6.459 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -7.129 -1.712 -8.426 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -6.553 -3.321 -8.813 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.962 -4.079 -9.065 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.482 -2.430 -8.780 1.00 0.00 H new ATOM 321 N VAL A 22 -6.985 -5.530 -6.932 1.00 0.00 N ATOM 322 CA VAL A 22 -7.269 -6.985 -6.816 1.00 0.00 C ATOM 323 C VAL A 22 -7.573 -7.319 -5.356 1.00 0.00 C ATOM 324 O VAL A 22 -8.492 -8.045 -5.050 1.00 0.00 O ATOM 325 CB VAL A 22 -5.988 -7.686 -7.277 1.00 0.00 C ATOM 326 CG1 VAL A 22 -5.895 -9.066 -6.623 1.00 0.00 C ATOM 327 CG2 VAL A 22 -6.017 -7.846 -8.800 1.00 0.00 C ATOM 0 H VAL A 22 -6.007 -5.288 -7.092 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.126 -7.298 -7.412 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.123 -7.089 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.983 -9.564 -6.952 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.877 -8.954 -5.539 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.759 -9.664 -6.912 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.106 -8.345 -9.131 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.882 -8.443 -9.087 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.083 -6.864 -9.268 1.00 0.00 H new ATOM 337 N VAL A 23 -6.815 -6.764 -4.458 1.00 0.00 N ATOM 338 CA VAL A 23 -7.055 -6.997 -3.012 1.00 0.00 C ATOM 339 C VAL A 23 -8.335 -6.276 -2.593 1.00 0.00 C ATOM 340 O VAL A 23 -8.992 -6.641 -1.643 1.00 0.00 O ATOM 341 CB VAL A 23 -5.835 -6.443 -2.294 1.00 0.00 C ATOM 342 CG1 VAL A 23 -6.255 -5.281 -1.407 1.00 0.00 C ATOM 343 CG2 VAL A 23 -5.210 -7.544 -1.436 1.00 0.00 C ATOM 0 H VAL A 23 -6.028 -6.150 -4.668 1.00 0.00 H new ATOM 0 HA VAL A 23 -7.189 -8.051 -2.770 1.00 0.00 H new ATOM 0 HB VAL A 23 -5.106 -6.094 -3.025 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.381 -4.883 -0.891 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.703 -4.499 -2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.982 -5.628 -0.673 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -4.335 -7.150 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -5.938 -7.891 -0.703 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -4.911 -8.376 -2.073 1.00 0.00 H new ATOM 353 N ASP A 24 -8.675 -5.226 -3.292 1.00 0.00 N ATOM 354 CA ASP A 24 -9.898 -4.457 -2.953 1.00 0.00 C ATOM 355 C ASP A 24 -11.096 -5.244 -3.464 1.00 0.00 C ATOM 356 O ASP A 24 -12.147 -5.281 -2.861 1.00 0.00 O ATOM 357 CB ASP A 24 -9.761 -3.129 -3.687 1.00 0.00 C ATOM 358 CG ASP A 24 -10.559 -2.054 -2.951 1.00 0.00 C ATOM 359 OD1 ASP A 24 -11.776 -2.118 -2.993 1.00 0.00 O ATOM 360 OD2 ASP A 24 -9.940 -1.185 -2.362 1.00 0.00 O ATOM 0 H ASP A 24 -8.150 -4.868 -4.090 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.028 -4.290 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -8.711 -2.841 -3.746 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.123 -3.228 -4.710 1.00 0.00 H new ATOM 365 N GLU A 25 -10.918 -5.881 -4.584 1.00 0.00 N ATOM 366 CA GLU A 25 -12.006 -6.691 -5.174 1.00 0.00 C ATOM 367 C GLU A 25 -12.426 -7.775 -4.180 1.00 0.00 C ATOM 368 O GLU A 25 -13.594 -8.021 -3.963 1.00 0.00 O ATOM 369 CB GLU A 25 -11.374 -7.310 -6.420 1.00 0.00 C ATOM 370 CG GLU A 25 -12.127 -6.841 -7.666 1.00 0.00 C ATOM 371 CD GLU A 25 -12.643 -8.056 -8.439 1.00 0.00 C ATOM 372 OE1 GLU A 25 -11.824 -8.837 -8.891 1.00 0.00 O ATOM 373 OE2 GLU A 25 -13.850 -8.184 -8.563 1.00 0.00 O ATOM 0 H GLU A 25 -10.051 -5.872 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 25 -12.899 -6.113 -5.412 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.325 -7.024 -6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -11.404 -8.398 -6.353 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.960 -6.198 -7.380 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.469 -6.247 -8.299 1.00 0.00 H new ATOM 380 N ALA A 26 -11.467 -8.417 -3.571 1.00 0.00 N ATOM 381 CA ALA A 26 -11.787 -9.482 -2.578 1.00 0.00 C ATOM 382 C ALA A 26 -12.165 -8.857 -1.241 1.00 0.00 C ATOM 383 O ALA A 26 -13.080 -9.295 -0.571 1.00 0.00 O ATOM 384 CB ALA A 26 -10.503 -10.289 -2.440 1.00 0.00 C ATOM 0 H ALA A 26 -10.472 -8.249 -3.719 1.00 0.00 H new ATOM 0 HA ALA A 26 -12.628 -10.100 -2.892 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -10.656 -11.096 -1.724 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -10.232 -10.710 -3.408 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -9.701 -9.640 -2.089 1.00 0.00 H new ATOM 390 N LYS A 27 -11.460 -7.830 -0.841 1.00 0.00 N ATOM 391 CA LYS A 27 -11.785 -7.196 0.465 1.00 0.00 C ATOM 392 C LYS A 27 -13.144 -6.522 0.372 1.00 0.00 C ATOM 393 O LYS A 27 -13.838 -6.361 1.357 1.00 0.00 O ATOM 394 CB LYS A 27 -10.674 -6.168 0.684 1.00 0.00 C ATOM 395 CG LYS A 27 -9.430 -6.875 1.223 1.00 0.00 C ATOM 396 CD LYS A 27 -9.853 -8.008 2.161 1.00 0.00 C ATOM 397 CE LYS A 27 -10.134 -9.281 1.345 1.00 0.00 C ATOM 398 NZ LYS A 27 -8.790 -9.823 1.001 1.00 0.00 N ATOM 0 H LYS A 27 -10.685 -7.410 -1.355 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.837 -7.909 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.441 -5.662 -0.253 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.004 -5.403 1.386 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.839 -7.273 0.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.797 -6.165 1.755 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -9.068 -8.200 2.892 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -10.744 -7.718 2.718 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.714 -10.001 1.923 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -10.710 -9.055 0.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.640 -9.753 -0.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.058 -9.275 1.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -8.733 -10.820 1.292 1.00 0.00 H new ATOM 412 N LYS A 28 -13.559 -6.185 -0.815 1.00 0.00 N ATOM 413 CA LYS A 28 -14.901 -5.578 -0.983 1.00 0.00 C ATOM 414 C LYS A 28 -15.941 -6.651 -0.694 1.00 0.00 C ATOM 415 O LYS A 28 -16.886 -6.449 0.044 1.00 0.00 O ATOM 416 CB LYS A 28 -14.959 -5.163 -2.448 1.00 0.00 C ATOM 417 CG LYS A 28 -15.094 -3.644 -2.551 1.00 0.00 C ATOM 418 CD LYS A 28 -15.494 -3.261 -3.976 1.00 0.00 C ATOM 419 CE LYS A 28 -16.110 -1.859 -3.975 1.00 0.00 C ATOM 420 NZ LYS A 28 -17.341 -1.981 -4.806 1.00 0.00 N ATOM 0 H LYS A 28 -13.025 -6.305 -1.675 1.00 0.00 H new ATOM 0 HA LYS A 28 -15.086 -4.732 -0.321 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -14.058 -5.493 -2.965 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -15.803 -5.646 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -15.842 -3.286 -1.844 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -14.151 -3.166 -2.286 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -14.622 -3.286 -4.629 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -16.208 -3.983 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -16.347 -1.532 -2.963 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -15.422 -1.125 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.820 -1.059 -4.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.083 -2.287 -5.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -17.980 -2.682 -4.379 1.00 0.00 H new ATOM 434 N GLU A 29 -15.737 -7.807 -1.260 1.00 0.00 N ATOM 435 CA GLU A 29 -16.668 -8.942 -1.034 1.00 0.00 C ATOM 436 C GLU A 29 -16.947 -9.070 0.462 1.00 0.00 C ATOM 437 O GLU A 29 -18.067 -9.271 0.885 1.00 0.00 O ATOM 438 CB GLU A 29 -15.885 -10.150 -1.557 1.00 0.00 C ATOM 439 CG GLU A 29 -15.588 -11.139 -0.422 1.00 0.00 C ATOM 440 CD GLU A 29 -16.756 -12.114 -0.274 1.00 0.00 C ATOM 441 OE1 GLU A 29 -17.468 -12.308 -1.246 1.00 0.00 O ATOM 442 OE2 GLU A 29 -16.920 -12.652 0.808 1.00 0.00 O ATOM 0 H GLU A 29 -14.953 -8.014 -1.878 1.00 0.00 H new ATOM 0 HA GLU A 29 -17.635 -8.832 -1.526 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -16.457 -10.649 -2.340 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.951 -9.816 -2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.669 -11.686 -0.633 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -15.430 -10.600 0.512 1.00 0.00 H new ATOM 449 N PHE A 30 -15.938 -8.909 1.260 1.00 0.00 N ATOM 450 CA PHE A 30 -16.118 -9.011 2.727 1.00 0.00 C ATOM 451 C PHE A 30 -16.466 -7.629 3.280 1.00 0.00 C ATOM 452 O PHE A 30 -17.467 -7.454 3.953 1.00 0.00 O ATOM 453 CB PHE A 30 -14.759 -9.489 3.267 1.00 0.00 C ATOM 454 CG PHE A 30 -14.277 -8.548 4.346 1.00 0.00 C ATOM 455 CD1 PHE A 30 -15.108 -8.246 5.435 1.00 0.00 C ATOM 456 CD2 PHE A 30 -13.004 -7.976 4.257 1.00 0.00 C ATOM 457 CE1 PHE A 30 -14.663 -7.372 6.432 1.00 0.00 C ATOM 458 CE2 PHE A 30 -12.559 -7.103 5.256 1.00 0.00 C ATOM 459 CZ PHE A 30 -13.389 -6.800 6.344 1.00 0.00 C ATOM 0 H PHE A 30 -14.985 -8.709 0.956 1.00 0.00 H new ATOM 0 HA PHE A 30 -16.919 -9.693 3.013 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -14.851 -10.499 3.667 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -14.031 -9.532 2.457 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -16.091 -8.688 5.503 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -12.365 -8.208 3.418 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -15.303 -7.138 7.270 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -11.575 -6.662 5.189 1.00 0.00 H new ATOM 0 HZ PHE A 30 -13.045 -6.125 7.114 1.00 0.00 H new ATOM 469 N GLY A 31 -15.620 -6.667 3.059 1.00 0.00 N ATOM 470 CA GLY A 31 -15.874 -5.288 3.556 1.00 0.00 C ATOM 471 C GLY A 31 -16.484 -4.419 2.456 1.00 0.00 C ATOM 472 O GLY A 31 -15.774 -3.621 1.856 1.00 0.00 O ATOM 0 H GLY A 31 -14.746 -6.779 2.545 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -16.547 -5.323 4.413 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -14.941 -4.843 3.902 1.00 0.00 H new ATOM 476 N ASP A 32 -17.741 -4.538 2.177 1.00 0.00 N ATOM 477 CA ASP A 32 -18.329 -3.693 1.101 1.00 0.00 C ATOM 478 C ASP A 32 -17.635 -2.323 1.067 1.00 0.00 C ATOM 479 O ASP A 32 -17.579 -1.669 0.052 1.00 0.00 O ATOM 480 CB ASP A 32 -19.801 -3.531 1.514 1.00 0.00 C ATOM 481 CG ASP A 32 -20.264 -2.098 1.240 1.00 0.00 C ATOM 482 OD1 ASP A 32 -19.822 -1.208 1.950 1.00 0.00 O ATOM 483 OD2 ASP A 32 -21.044 -1.914 0.323 1.00 0.00 O ATOM 0 H ASP A 32 -18.388 -5.176 2.639 1.00 0.00 H new ATOM 0 HA ASP A 32 -18.216 -4.133 0.110 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -20.423 -4.235 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -19.919 -3.764 2.572 1.00 0.00 H new ATOM 488 N LYS A 33 -17.119 -1.887 2.179 1.00 0.00 N ATOM 489 CA LYS A 33 -16.392 -0.591 2.257 1.00 0.00 C ATOM 490 C LYS A 33 -14.905 -0.768 1.950 1.00 0.00 C ATOM 491 O LYS A 33 -14.370 -1.849 2.107 1.00 0.00 O ATOM 492 CB LYS A 33 -16.625 -0.060 3.651 1.00 0.00 C ATOM 493 CG LYS A 33 -17.771 -0.834 4.305 1.00 0.00 C ATOM 494 CD LYS A 33 -18.505 0.072 5.291 1.00 0.00 C ATOM 495 CE LYS A 33 -19.675 0.761 4.582 1.00 0.00 C ATOM 496 NZ LYS A 33 -20.715 0.932 5.634 1.00 0.00 N ATOM 0 H LYS A 33 -17.173 -2.391 3.064 1.00 0.00 H new ATOM 0 HA LYS A 33 -16.759 0.115 1.512 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -15.718 -0.160 4.246 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -16.865 1.003 3.612 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -18.462 -1.194 3.542 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -17.382 -1.711 4.822 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -18.871 -0.513 6.135 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -17.820 0.818 5.694 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -19.373 1.722 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -20.046 0.157 3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -21.550 1.398 5.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -20.987 0.000 6.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -20.335 1.517 6.406 1.00 0.00 H new ATOM 510 N ILE A 34 -14.227 0.269 1.553 1.00 0.00 N ATOM 511 CA ILE A 34 -12.767 0.131 1.288 1.00 0.00 C ATOM 512 C ILE A 34 -11.979 1.224 2.017 1.00 0.00 C ATOM 513 O ILE A 34 -12.460 2.316 2.237 1.00 0.00 O ATOM 514 CB ILE A 34 -12.642 0.312 -0.230 1.00 0.00 C ATOM 515 CG1 ILE A 34 -12.532 -1.059 -0.898 1.00 0.00 C ATOM 516 CG2 ILE A 34 -11.391 1.133 -0.549 1.00 0.00 C ATOM 517 CD1 ILE A 34 -13.361 -2.082 -0.118 1.00 0.00 C ATOM 0 H ILE A 34 -14.615 1.200 1.401 1.00 0.00 H new ATOM 0 HA ILE A 34 -12.371 -0.823 1.635 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.523 0.833 -0.605 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -12.884 -1.001 -1.928 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -11.489 -1.374 -0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -11.305 1.260 -1.628 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -11.466 2.111 -0.073 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -10.509 0.614 -0.173 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -13.280 -3.058 -0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -12.989 -2.148 0.904 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -14.405 -1.770 -0.105 1.00 0.00 H new ATOM 529 N ASP A 35 -10.755 0.934 2.372 1.00 0.00 N ATOM 530 CA ASP A 35 -9.917 1.937 3.076 1.00 0.00 C ATOM 531 C ASP A 35 -8.501 1.881 2.515 1.00 0.00 C ATOM 532 O ASP A 35 -7.548 1.605 3.221 1.00 0.00 O ATOM 533 CB ASP A 35 -9.937 1.522 4.549 1.00 0.00 C ATOM 534 CG ASP A 35 -10.766 2.522 5.355 1.00 0.00 C ATOM 535 OD1 ASP A 35 -10.461 3.701 5.291 1.00 0.00 O ATOM 536 OD2 ASP A 35 -11.691 2.091 6.023 1.00 0.00 O ATOM 0 H ASP A 35 -10.300 0.037 2.201 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.281 2.957 2.951 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.358 0.522 4.649 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.920 1.480 4.939 1.00 0.00 H new ATOM 541 N VAL A 36 -8.350 2.149 1.245 1.00 0.00 N ATOM 542 CA VAL A 36 -6.995 2.081 0.649 1.00 0.00 C ATOM 543 C VAL A 36 -6.332 3.451 0.724 1.00 0.00 C ATOM 544 O VAL A 36 -6.739 4.407 0.096 1.00 0.00 O ATOM 545 CB VAL A 36 -7.243 1.706 -0.829 1.00 0.00 C ATOM 546 CG1 VAL A 36 -5.905 1.509 -1.543 1.00 0.00 C ATOM 547 CG2 VAL A 36 -8.047 0.408 -0.894 1.00 0.00 C ATOM 0 H VAL A 36 -9.101 2.409 0.605 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.347 1.370 1.161 1.00 0.00 H new ATOM 0 HB VAL A 36 -7.798 2.507 -1.316 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -6.084 1.245 -2.585 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.329 2.433 -1.497 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.347 0.709 -1.056 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.223 0.141 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.489 -0.390 -0.404 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -9.003 0.546 -0.388 1.00 0.00 H new ATOM 557 N GLU A 37 -5.258 3.540 1.479 1.00 0.00 N ATOM 558 CA GLU A 37 -4.582 4.865 1.608 1.00 0.00 C ATOM 559 C GLU A 37 -3.400 4.900 0.637 1.00 0.00 C ATOM 560 O GLU A 37 -2.728 3.933 0.402 1.00 0.00 O ATOM 561 CB GLU A 37 -4.037 4.875 3.057 1.00 0.00 C ATOM 562 CG GLU A 37 -5.205 4.980 4.039 1.00 0.00 C ATOM 563 CD GLU A 37 -4.786 5.818 5.247 1.00 0.00 C ATOM 564 OE1 GLU A 37 -3.811 6.544 5.132 1.00 0.00 O ATOM 565 OE2 GLU A 37 -5.447 5.721 6.267 1.00 0.00 O ATOM 0 H GLU A 37 -4.833 2.771 1.997 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.241 5.707 1.397 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.467 3.966 3.249 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.355 5.714 3.195 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.066 5.435 3.549 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -5.512 3.985 4.363 1.00 0.00 H new ATOM 572 N LYS A 38 -3.186 6.026 0.019 1.00 0.00 N ATOM 573 CA LYS A 38 -2.110 6.154 -1.000 1.00 0.00 C ATOM 574 C LYS A 38 -1.349 7.473 -0.871 1.00 0.00 C ATOM 575 O LYS A 38 -1.967 8.520 -0.761 1.00 0.00 O ATOM 576 CB LYS A 38 -2.782 6.033 -2.349 1.00 0.00 C ATOM 577 CG LYS A 38 -3.838 7.123 -2.473 1.00 0.00 C ATOM 578 CD LYS A 38 -5.121 6.675 -1.769 1.00 0.00 C ATOM 579 CE LYS A 38 -6.267 6.627 -2.780 1.00 0.00 C ATOM 580 NZ LYS A 38 -7.366 7.412 -2.152 1.00 0.00 N ATOM 0 H LYS A 38 -3.722 6.879 0.180 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.361 5.374 -0.863 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.046 6.129 -3.147 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.241 5.050 -2.455 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.473 8.050 -2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.041 7.330 -3.524 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.978 5.693 -1.319 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.364 7.364 -0.960 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.969 7.059 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -6.577 5.601 -2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.190 7.425 -2.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.633 6.973 -1.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.044 8.386 -1.983 1.00 0.00 H new ATOM 594 N ILE A 39 -0.055 7.446 -0.855 1.00 0.00 N ATOM 595 CA ILE A 39 0.729 8.712 -0.741 1.00 0.00 C ATOM 596 C ILE A 39 1.939 8.668 -1.687 1.00 0.00 C ATOM 597 O ILE A 39 2.208 7.666 -2.316 1.00 0.00 O ATOM 598 CB ILE A 39 1.178 8.775 0.704 1.00 0.00 C ATOM 599 CG1 ILE A 39 1.030 7.392 1.343 1.00 0.00 C ATOM 600 CG2 ILE A 39 0.318 9.785 1.467 1.00 0.00 C ATOM 601 CD1 ILE A 39 1.234 7.499 2.854 1.00 0.00 C ATOM 0 H ILE A 39 0.506 6.597 -0.916 1.00 0.00 H new ATOM 0 HA ILE A 39 0.142 9.588 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 39 2.222 9.087 0.746 1.00 0.00 H new ATOM 0 HG12 ILE A 39 0.042 6.985 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.759 6.703 0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.643 9.828 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 39 0.424 10.770 1.012 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -0.727 9.477 1.426 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.128 6.513 3.306 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.231 7.887 3.060 1.00 0.00 H new ATOM 0 HD13 ILE A 39 0.488 8.173 3.275 1.00 0.00 H new ATOM 613 N ASP A 40 2.652 9.753 -1.811 1.00 0.00 N ATOM 614 CA ASP A 40 3.846 9.776 -2.696 1.00 0.00 C ATOM 615 C ASP A 40 5.140 9.760 -1.870 1.00 0.00 C ATOM 616 O ASP A 40 5.118 9.941 -0.669 1.00 0.00 O ATOM 617 CB ASP A 40 3.699 11.046 -3.514 1.00 0.00 C ATOM 618 CG ASP A 40 4.186 12.239 -2.703 1.00 0.00 C ATOM 619 OD1 ASP A 40 5.230 12.123 -2.086 1.00 0.00 O ATOM 620 OD2 ASP A 40 3.505 13.252 -2.702 1.00 0.00 O ATOM 0 H ASP A 40 2.455 10.632 -1.332 1.00 0.00 H new ATOM 0 HA ASP A 40 3.908 8.898 -3.339 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.272 10.964 -4.437 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.656 11.188 -3.798 1.00 0.00 H new ATOM 625 N ILE A 41 6.261 9.570 -2.509 1.00 0.00 N ATOM 626 CA ILE A 41 7.556 9.563 -1.761 1.00 0.00 C ATOM 627 C ILE A 41 7.959 10.972 -1.319 1.00 0.00 C ATOM 628 O ILE A 41 8.782 11.138 -0.435 1.00 0.00 O ATOM 629 CB ILE A 41 8.576 9.011 -2.754 1.00 0.00 C ATOM 630 CG1 ILE A 41 9.984 9.175 -2.180 1.00 0.00 C ATOM 631 CG2 ILE A 41 8.475 9.785 -4.073 1.00 0.00 C ATOM 632 CD1 ILE A 41 11.013 9.013 -3.297 1.00 0.00 C ATOM 0 H ILE A 41 6.340 9.419 -3.515 1.00 0.00 H new ATOM 0 HA ILE A 41 7.487 8.968 -0.851 1.00 0.00 H new ATOM 0 HB ILE A 41 8.374 7.955 -2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 41 10.087 10.156 -1.716 1.00 0.00 H new ATOM 0 HG13 ILE A 41 10.159 8.434 -1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 41 9.203 9.391 -4.782 1.00 0.00 H new ATOM 0 HG22 ILE A 41 7.471 9.674 -4.484 1.00 0.00 H new ATOM 0 HG23 ILE A 41 8.679 10.840 -3.892 1.00 0.00 H new ATOM 0 HD11 ILE A 41 12.016 9.130 -2.887 1.00 0.00 H new ATOM 0 HD12 ILE A 41 10.915 8.022 -3.741 1.00 0.00 H new ATOM 0 HD13 ILE A 41 10.843 9.771 -4.061 1.00 0.00 H new ATOM 644 N MET A 42 7.413 11.985 -1.927 1.00 0.00 N ATOM 645 CA MET A 42 7.786 13.369 -1.522 1.00 0.00 C ATOM 646 C MET A 42 6.851 13.880 -0.426 1.00 0.00 C ATOM 647 O MET A 42 7.154 14.822 0.273 1.00 0.00 O ATOM 648 CB MET A 42 7.601 14.196 -2.800 1.00 0.00 C ATOM 649 CG MET A 42 6.179 14.770 -2.842 1.00 0.00 C ATOM 650 SD MET A 42 6.099 16.107 -4.060 1.00 0.00 S ATOM 651 CE MET A 42 4.653 16.951 -3.374 1.00 0.00 C ATOM 0 H MET A 42 6.730 11.918 -2.681 1.00 0.00 H new ATOM 0 HA MET A 42 8.798 13.426 -1.122 1.00 0.00 H new ATOM 0 HB2 MET A 42 8.331 15.005 -2.830 1.00 0.00 H new ATOM 0 HB3 MET A 42 7.778 13.573 -3.677 1.00 0.00 H new ATOM 0 HG2 MET A 42 5.467 13.986 -3.100 1.00 0.00 H new ATOM 0 HG3 MET A 42 5.898 15.144 -1.858 1.00 0.00 H new ATOM 0 HE1 MET A 42 4.420 17.825 -3.982 1.00 0.00 H new ATOM 0 HE2 MET A 42 3.801 16.271 -3.374 1.00 0.00 H new ATOM 0 HE3 MET A 42 4.866 17.266 -2.352 1.00 0.00 H new ATOM 661 N VAL A 43 5.716 13.258 -0.271 1.00 0.00 N ATOM 662 CA VAL A 43 4.758 13.693 0.781 1.00 0.00 C ATOM 663 C VAL A 43 4.679 12.658 1.904 1.00 0.00 C ATOM 664 O VAL A 43 4.402 12.986 3.041 1.00 0.00 O ATOM 665 CB VAL A 43 3.414 13.818 0.064 1.00 0.00 C ATOM 666 CG1 VAL A 43 2.967 12.440 -0.415 1.00 0.00 C ATOM 667 CG2 VAL A 43 2.372 14.383 1.032 1.00 0.00 C ATOM 0 H VAL A 43 5.410 12.463 -0.831 1.00 0.00 H new ATOM 0 HA VAL A 43 5.061 14.630 1.248 1.00 0.00 H new ATOM 0 HB VAL A 43 3.517 14.486 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.009 12.526 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.710 12.035 -1.102 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.863 11.773 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.413 14.473 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.268 13.714 1.886 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.692 15.366 1.378 1.00 0.00 H new ATOM 677 N ASP A 44 4.893 11.404 1.597 1.00 0.00 N ATOM 678 CA ASP A 44 4.800 10.363 2.659 1.00 0.00 C ATOM 679 C ASP A 44 6.163 9.713 2.905 1.00 0.00 C ATOM 680 O ASP A 44 6.277 8.500 2.963 1.00 0.00 O ATOM 681 CB ASP A 44 3.799 9.342 2.130 1.00 0.00 C ATOM 682 CG ASP A 44 3.951 8.026 2.899 1.00 0.00 C ATOM 683 OD1 ASP A 44 4.449 8.067 4.010 1.00 0.00 O ATOM 684 OD2 ASP A 44 3.569 7.002 2.361 1.00 0.00 O ATOM 0 H ASP A 44 5.126 11.060 0.665 1.00 0.00 H new ATOM 0 HA ASP A 44 4.485 10.784 3.614 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.784 9.723 2.239 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.964 9.174 1.066 1.00 0.00 H new ATOM 689 N ARG A 45 7.202 10.498 3.062 1.00 0.00 N ATOM 690 CA ARG A 45 8.536 9.868 3.288 1.00 0.00 C ATOM 691 C ARG A 45 8.496 8.995 4.546 1.00 0.00 C ATOM 692 O ARG A 45 9.366 8.187 4.781 1.00 0.00 O ATOM 693 CB ARG A 45 9.467 11.074 3.561 1.00 0.00 C ATOM 694 CG ARG A 45 10.926 10.633 3.427 1.00 0.00 C ATOM 695 CD ARG A 45 11.720 11.709 2.684 1.00 0.00 C ATOM 696 NE ARG A 45 12.963 11.024 2.232 1.00 0.00 N ATOM 697 CZ ARG A 45 14.129 11.480 2.600 1.00 0.00 C ATOM 698 NH1 ARG A 45 14.511 12.673 2.229 1.00 0.00 N ATOM 699 NH2 ARG A 45 14.914 10.744 3.338 1.00 0.00 N ATOM 0 H ARG A 45 7.186 11.518 3.044 1.00 0.00 H new ATOM 0 HA ARG A 45 8.851 9.244 2.452 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.253 11.879 2.858 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.285 11.468 4.561 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.358 10.464 4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 45 10.983 9.687 2.888 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.156 12.103 1.838 1.00 0.00 H new ATOM 0 HD3 ARG A 45 11.948 12.552 3.336 1.00 0.00 H new ATOM 0 HE ARG A 45 12.903 10.199 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 45 13.898 13.248 1.652 1.00 0.00 H new ATOM 0 HH12 ARG A 45 15.422 13.029 2.517 1.00 0.00 H new ATOM 0 HH21 ARG A 45 14.616 9.812 3.627 1.00 0.00 H new ATOM 0 HH22 ARG A 45 15.825 11.100 3.626 1.00 0.00 H new ATOM 713 N GLU A 46 7.424 9.068 5.281 1.00 0.00 N ATOM 714 CA GLU A 46 7.244 8.195 6.476 1.00 0.00 C ATOM 715 C GLU A 46 7.243 6.744 6.037 1.00 0.00 C ATOM 716 O GLU A 46 7.322 5.839 6.833 1.00 0.00 O ATOM 717 CB GLU A 46 5.917 8.589 7.115 1.00 0.00 C ATOM 718 CG GLU A 46 5.584 10.040 6.766 1.00 0.00 C ATOM 719 CD GLU A 46 6.853 10.897 6.815 1.00 0.00 C ATOM 720 OE1 GLU A 46 7.869 10.394 7.269 1.00 0.00 O ATOM 721 OE2 GLU A 46 6.791 12.036 6.390 1.00 0.00 O ATOM 0 H GLU A 46 6.650 9.707 5.102 1.00 0.00 H new ATOM 0 HA GLU A 46 8.051 8.317 7.199 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.124 7.930 6.763 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.974 8.470 8.197 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.140 10.090 5.772 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.845 10.430 7.466 1.00 0.00 H new ATOM 728 N LYS A 47 7.120 6.514 4.765 1.00 0.00 N ATOM 729 CA LYS A 47 7.079 5.123 4.278 1.00 0.00 C ATOM 730 C LYS A 47 8.276 4.364 4.844 1.00 0.00 C ATOM 731 O LYS A 47 8.147 3.363 5.512 1.00 0.00 O ATOM 732 CB LYS A 47 7.238 5.192 2.762 1.00 0.00 C ATOM 733 CG LYS A 47 8.189 4.069 2.330 1.00 0.00 C ATOM 734 CD LYS A 47 7.666 2.746 2.879 1.00 0.00 C ATOM 735 CE LYS A 47 8.838 1.797 3.124 1.00 0.00 C ATOM 736 NZ LYS A 47 8.332 0.792 4.095 1.00 0.00 N ATOM 0 H LYS A 47 7.046 7.232 4.045 1.00 0.00 H new ATOM 0 HA LYS A 47 6.154 4.627 4.573 1.00 0.00 H new ATOM 0 HB2 LYS A 47 6.270 5.080 2.273 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.636 6.162 2.465 1.00 0.00 H new ATOM 0 HG2 LYS A 47 8.255 4.027 1.243 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.195 4.262 2.703 1.00 0.00 H new ATOM 0 HD2 LYS A 47 7.121 2.915 3.808 1.00 0.00 H new ATOM 0 HD3 LYS A 47 6.964 2.300 2.175 1.00 0.00 H new ATOM 0 HE2 LYS A 47 9.160 1.322 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 47 9.700 2.331 3.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.977 -0.024 4.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 8.280 1.219 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 7.384 0.476 3.806 1.00 0.00 H new ATOM 750 N ALA A 48 9.434 4.809 4.538 1.00 0.00 N ATOM 751 CA ALA A 48 10.666 4.196 5.039 1.00 0.00 C ATOM 752 C ALA A 48 10.751 4.328 6.541 1.00 0.00 C ATOM 753 O ALA A 48 11.775 4.037 7.129 1.00 0.00 O ATOM 754 CB ALA A 48 11.810 4.738 4.270 1.00 0.00 C ATOM 0 H ALA A 48 9.587 5.614 3.930 1.00 0.00 H new ATOM 0 HA ALA A 48 10.682 3.119 4.874 1.00 0.00 H new ATOM 0 HB1 ALA A 48 12.736 4.291 4.632 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.682 4.503 3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 48 11.855 5.819 4.398 1.00 0.00 H new ATOM 760 N ILE A 49 9.770 4.903 7.176 1.00 0.00 N ATOM 761 CA ILE A 49 9.900 5.072 8.633 1.00 0.00 C ATOM 762 C ILE A 49 10.638 3.826 9.096 1.00 0.00 C ATOM 763 O ILE A 49 11.535 3.867 9.910 1.00 0.00 O ATOM 764 CB ILE A 49 8.464 5.096 9.175 1.00 0.00 C ATOM 765 CG1 ILE A 49 7.598 4.079 8.409 1.00 0.00 C ATOM 766 CG2 ILE A 49 7.884 6.501 9.002 1.00 0.00 C ATOM 767 CD1 ILE A 49 6.121 4.444 8.567 1.00 0.00 C ATOM 0 H ILE A 49 8.908 5.252 6.756 1.00 0.00 H new ATOM 0 HA ILE A 49 10.426 5.970 8.957 1.00 0.00 H new ATOM 0 HB ILE A 49 8.471 4.830 10.232 1.00 0.00 H new ATOM 0 HG12 ILE A 49 7.871 4.074 7.354 1.00 0.00 H new ATOM 0 HG13 ILE A 49 7.778 3.073 8.789 1.00 0.00 H new ATOM 0 HG21 ILE A 49 6.864 6.523 9.386 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.494 7.217 9.552 1.00 0.00 H new ATOM 0 HG23 ILE A 49 7.880 6.765 7.945 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.508 3.724 8.025 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.853 4.426 9.623 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.948 5.443 8.166 1.00 0.00 H new ATOM 779 N GLU A 50 10.290 2.723 8.492 1.00 0.00 N ATOM 780 CA GLU A 50 10.968 1.442 8.782 1.00 0.00 C ATOM 781 C GLU A 50 12.482 1.602 8.583 1.00 0.00 C ATOM 782 O GLU A 50 13.265 1.244 9.437 1.00 0.00 O ATOM 783 CB GLU A 50 10.375 0.482 7.752 1.00 0.00 C ATOM 784 CG GLU A 50 9.345 -0.418 8.433 1.00 0.00 C ATOM 785 CD GLU A 50 9.572 -1.870 8.009 1.00 0.00 C ATOM 786 OE1 GLU A 50 10.451 -2.100 7.193 1.00 0.00 O ATOM 787 OE2 GLU A 50 8.864 -2.729 8.508 1.00 0.00 O ATOM 0 H GLU A 50 9.547 2.662 7.796 1.00 0.00 H new ATOM 0 HA GLU A 50 10.826 1.092 9.804 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.906 1.043 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 50 11.164 -0.123 7.305 1.00 0.00 H new ATOM 0 HG2 GLU A 50 9.428 -0.328 9.516 1.00 0.00 H new ATOM 0 HG3 GLU A 50 8.337 -0.103 8.163 1.00 0.00 H new ATOM 794 N TYR A 51 12.902 2.152 7.470 1.00 0.00 N ATOM 795 CA TYR A 51 14.372 2.342 7.246 1.00 0.00 C ATOM 796 C TYR A 51 14.678 3.802 6.937 1.00 0.00 C ATOM 797 O TYR A 51 15.752 4.302 7.203 1.00 0.00 O ATOM 798 CB TYR A 51 14.739 1.476 6.037 1.00 0.00 C ATOM 799 CG TYR A 51 13.717 1.621 4.931 1.00 0.00 C ATOM 800 CD1 TYR A 51 12.392 1.237 5.143 1.00 0.00 C ATOM 801 CD2 TYR A 51 14.109 2.115 3.682 1.00 0.00 C ATOM 802 CE1 TYR A 51 11.457 1.349 4.115 1.00 0.00 C ATOM 803 CE2 TYR A 51 13.171 2.233 2.650 1.00 0.00 C ATOM 804 CZ TYR A 51 11.845 1.847 2.865 1.00 0.00 C ATOM 805 OH TYR A 51 10.921 1.957 1.845 1.00 0.00 O ATOM 0 H TYR A 51 12.299 2.475 6.713 1.00 0.00 H new ATOM 0 HA TYR A 51 14.940 2.062 8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 51 15.723 1.762 5.666 1.00 0.00 H new ATOM 0 HB3 TYR A 51 14.804 0.431 6.341 1.00 0.00 H new ATOM 0 HD1 TYR A 51 12.090 0.852 6.106 1.00 0.00 H new ATOM 0 HD2 TYR A 51 15.136 2.405 3.514 1.00 0.00 H new ATOM 0 HE1 TYR A 51 10.432 1.051 4.283 1.00 0.00 H new ATOM 0 HE2 TYR A 51 13.472 2.622 1.688 1.00 0.00 H new ATOM 0 HH TYR A 51 11.357 2.321 1.046 1.00 0.00 H new ATOM 815 N GLY A 52 13.734 4.472 6.367 1.00 0.00 N ATOM 816 CA GLY A 52 13.907 5.904 5.995 1.00 0.00 C ATOM 817 C GLY A 52 15.307 6.165 5.429 1.00 0.00 C ATOM 818 O GLY A 52 15.716 7.292 5.273 1.00 0.00 O ATOM 0 H GLY A 52 12.820 4.083 6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 52 13.156 6.184 5.257 1.00 0.00 H new ATOM 0 HA3 GLY A 52 13.743 6.532 6.871 1.00 0.00 H new ATOM 822 N LEU A 53 16.037 5.142 5.098 1.00 0.00 N ATOM 823 CA LEU A 53 17.379 5.317 4.497 1.00 0.00 C ATOM 824 C LEU A 53 17.201 5.465 2.987 1.00 0.00 C ATOM 825 O LEU A 53 17.596 6.418 2.359 1.00 0.00 O ATOM 826 CB LEU A 53 18.197 4.103 4.885 1.00 0.00 C ATOM 827 CG LEU A 53 18.424 4.108 6.403 1.00 0.00 C ATOM 828 CD1 LEU A 53 18.441 2.666 6.916 1.00 0.00 C ATOM 829 CD2 LEU A 53 19.765 4.776 6.717 1.00 0.00 C ATOM 0 H LEU A 53 15.751 4.171 5.223 1.00 0.00 H new ATOM 0 HA LEU A 53 17.901 6.207 4.850 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.680 3.191 4.586 1.00 0.00 H new ATOM 0 HB3 LEU A 53 19.154 4.113 4.363 1.00 0.00 H new ATOM 0 HG LEU A 53 17.621 4.661 6.890 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.602 2.665 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 53 17.487 2.189 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.246 2.116 6.429 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.926 4.780 7.795 1.00 0.00 H new ATOM 0 HD22 LEU A 53 20.569 4.223 6.232 1.00 0.00 H new ATOM 0 HD23 LEU A 53 19.756 5.802 6.348 1.00 0.00 H new ATOM 841 N MET A 54 16.650 4.432 2.403 1.00 0.00 N ATOM 842 CA MET A 54 16.373 4.393 0.953 1.00 0.00 C ATOM 843 C MET A 54 14.858 4.444 0.770 1.00 0.00 C ATOM 844 O MET A 54 14.278 3.483 0.264 1.00 0.00 O ATOM 845 CB MET A 54 16.969 3.102 0.462 1.00 0.00 C ATOM 846 CG MET A 54 18.496 3.227 0.415 1.00 0.00 C ATOM 847 SD MET A 54 19.182 1.819 -0.493 1.00 0.00 S ATOM 848 CE MET A 54 19.843 0.927 0.936 1.00 0.00 C ATOM 0 H MET A 54 16.374 3.586 2.901 1.00 0.00 H new ATOM 0 HA MET A 54 16.799 5.226 0.394 1.00 0.00 H new ATOM 0 HB2 MET A 54 16.681 2.283 1.121 1.00 0.00 H new ATOM 0 HB3 MET A 54 16.583 2.865 -0.529 1.00 0.00 H new ATOM 0 HG2 MET A 54 18.781 4.161 -0.069 1.00 0.00 H new ATOM 0 HG3 MET A 54 18.902 3.255 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 54 20.321 0.006 0.601 1.00 0.00 H new ATOM 0 HE2 MET A 54 20.576 1.551 1.447 1.00 0.00 H new ATOM 0 HE3 MET A 54 19.031 0.686 1.622 1.00 0.00 H new ATOM 858 N ALA A 55 14.218 5.485 1.182 1.00 0.00 N ATOM 859 CA ALA A 55 12.731 5.492 1.109 1.00 0.00 C ATOM 860 C ALA A 55 12.245 6.237 -0.130 1.00 0.00 C ATOM 861 O ALA A 55 12.280 7.435 -0.244 1.00 0.00 O ATOM 862 CB ALA A 55 12.334 6.313 2.357 1.00 0.00 C ATOM 0 H ALA A 55 14.646 6.328 1.564 1.00 0.00 H new ATOM 0 HA ALA A 55 12.312 4.487 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.248 6.388 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.710 5.818 3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.764 7.312 2.287 1.00 0.00 H new ATOM 868 N VAL A 56 11.746 5.471 -1.081 1.00 0.00 N ATOM 869 CA VAL A 56 11.219 6.078 -2.328 1.00 0.00 C ATOM 870 C VAL A 56 10.035 5.257 -2.859 1.00 0.00 C ATOM 871 O VAL A 56 8.904 5.715 -2.786 1.00 0.00 O ATOM 872 CB VAL A 56 12.391 6.097 -3.317 1.00 0.00 C ATOM 873 CG1 VAL A 56 11.872 5.862 -4.742 1.00 0.00 C ATOM 874 CG2 VAL A 56 13.086 7.458 -3.254 1.00 0.00 C ATOM 0 H VAL A 56 11.686 4.454 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 56 10.841 7.087 -2.165 1.00 0.00 H new ATOM 0 HB VAL A 56 13.096 5.309 -3.053 1.00 0.00 H new ATOM 0 HG11 VAL A 56 12.708 5.876 -5.441 1.00 0.00 H new ATOM 0 HG12 VAL A 56 11.373 4.894 -4.793 1.00 0.00 H new ATOM 0 HG13 VAL A 56 11.165 6.648 -5.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 13.919 7.474 -3.956 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.376 8.242 -3.516 1.00 0.00 H new ATOM 0 HG23 VAL A 56 13.459 7.630 -2.244 1.00 0.00 H new ATOM 884 N PRO A 57 10.285 4.045 -3.328 1.00 0.00 N ATOM 885 CA PRO A 57 9.176 3.215 -3.813 1.00 0.00 C ATOM 886 C PRO A 57 8.822 2.126 -2.810 1.00 0.00 C ATOM 887 O PRO A 57 9.350 1.047 -2.788 1.00 0.00 O ATOM 888 CB PRO A 57 9.865 2.523 -5.026 1.00 0.00 C ATOM 889 CG PRO A 57 11.347 2.518 -4.717 1.00 0.00 C ATOM 890 CD PRO A 57 11.569 3.370 -3.486 1.00 0.00 C ATOM 0 HA PRO A 57 8.263 3.777 -4.012 1.00 0.00 H new ATOM 0 HB2 PRO A 57 9.491 1.508 -5.160 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.661 3.063 -5.951 1.00 0.00 H new ATOM 0 HG2 PRO A 57 11.697 1.500 -4.545 1.00 0.00 H new ATOM 0 HG3 PRO A 57 11.914 2.912 -5.561 1.00 0.00 H new ATOM 0 HD2 PRO A 57 11.818 2.765 -2.614 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.385 4.079 -3.626 1.00 0.00 H new ATOM 898 N ALA A 58 7.862 2.416 -1.951 1.00 0.00 N ATOM 899 CA ALA A 58 7.439 1.407 -0.940 1.00 0.00 C ATOM 900 C ALA A 58 5.978 1.596 -0.561 1.00 0.00 C ATOM 901 O ALA A 58 5.301 2.470 -1.061 1.00 0.00 O ATOM 902 CB ALA A 58 8.332 1.639 0.280 1.00 0.00 C ATOM 0 H ALA A 58 7.362 3.304 -1.914 1.00 0.00 H new ATOM 0 HA ALA A 58 7.537 0.394 -1.331 1.00 0.00 H new ATOM 0 HB1 ALA A 58 8.071 0.927 1.063 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.376 1.502 -0.002 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.186 2.654 0.650 1.00 0.00 H new ATOM 908 N ILE A 59 5.480 0.764 0.309 1.00 0.00 N ATOM 909 CA ILE A 59 4.058 0.881 0.713 1.00 0.00 C ATOM 910 C ILE A 59 3.869 0.400 2.146 1.00 0.00 C ATOM 911 O ILE A 59 4.497 -0.551 2.577 1.00 0.00 O ATOM 912 CB ILE A 59 3.311 -0.053 -0.245 1.00 0.00 C ATOM 913 CG1 ILE A 59 3.147 0.628 -1.607 1.00 0.00 C ATOM 914 CG2 ILE A 59 1.935 -0.380 0.336 1.00 0.00 C ATOM 915 CD1 ILE A 59 3.967 -0.123 -2.659 1.00 0.00 C ATOM 0 H ILE A 59 5.999 0.008 0.757 1.00 0.00 H new ATOM 0 HA ILE A 59 3.702 1.910 0.669 1.00 0.00 H new ATOM 0 HB ILE A 59 3.880 -0.974 -0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.095 0.642 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 59 3.476 1.666 -1.548 1.00 0.00 H new ATOM 0 HG21 ILE A 59 1.402 -1.044 -0.344 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.055 -0.870 1.302 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.366 0.541 0.464 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.849 0.363 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.019 -0.114 -2.374 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.618 -1.153 -2.725 1.00 0.00 H new ATOM 927 N ALA A 60 2.942 0.985 2.870 1.00 0.00 N ATOM 928 CA ALA A 60 2.741 0.489 4.252 1.00 0.00 C ATOM 929 C ALA A 60 1.869 -0.735 4.123 1.00 0.00 C ATOM 930 O ALA A 60 0.896 -0.774 3.397 1.00 0.00 O ATOM 931 CB ALA A 60 1.968 1.615 4.982 1.00 0.00 C ATOM 0 H ALA A 60 2.342 1.754 2.572 1.00 0.00 H new ATOM 0 HA ALA A 60 3.660 0.245 4.785 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.782 1.319 6.014 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.559 2.530 4.968 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.017 1.790 4.478 1.00 0.00 H new ATOM 937 N ILE A 61 2.210 -1.759 4.882 1.00 0.00 N ATOM 938 CA ILE A 61 1.414 -2.987 4.681 1.00 0.00 C ATOM 939 C ILE A 61 0.219 -2.848 5.615 1.00 0.00 C ATOM 940 O ILE A 61 0.079 -3.455 6.640 1.00 0.00 O ATOM 941 CB ILE A 61 2.378 -4.067 5.294 1.00 0.00 C ATOM 942 CG1 ILE A 61 3.839 -3.645 5.064 1.00 0.00 C ATOM 943 CG2 ILE A 61 2.120 -5.408 4.610 1.00 0.00 C ATOM 944 CD1 ILE A 61 4.757 -4.855 5.230 1.00 0.00 C ATOM 0 H ILE A 61 2.953 -1.789 5.580 1.00 0.00 H new ATOM 0 HA ILE A 61 1.086 -3.197 3.663 1.00 0.00 H new ATOM 0 HB ILE A 61 2.196 -4.157 6.365 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.953 -3.224 4.065 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.118 -2.865 5.772 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.784 -6.164 5.029 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.084 -5.706 4.772 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.307 -5.313 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.791 -4.552 5.066 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.652 -5.256 6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 61 4.484 -5.621 4.504 1.00 0.00 H new ATOM 956 N ASN A 62 -0.763 -2.106 5.107 1.00 0.00 N ATOM 957 CA ASN A 62 -2.019 -1.912 5.870 1.00 0.00 C ATOM 958 C ASN A 62 -2.431 -3.254 6.434 1.00 0.00 C ATOM 959 O ASN A 62 -3.175 -3.988 5.829 1.00 0.00 O ATOM 960 CB ASN A 62 -3.029 -1.393 4.857 1.00 0.00 C ATOM 961 CG ASN A 62 -3.178 0.125 5.000 1.00 0.00 C ATOM 962 OD1 ASN A 62 -4.154 0.697 4.555 1.00 0.00 O ATOM 963 ND2 ASN A 62 -2.250 0.804 5.610 1.00 0.00 N ATOM 0 H ASN A 62 -0.729 -1.638 4.201 1.00 0.00 H new ATOM 0 HA ASN A 62 -1.928 -1.214 6.702 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -2.704 -1.642 3.847 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -3.993 -1.878 5.010 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -2.342 1.814 5.714 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -1.430 0.326 5.984 1.00 0.00 H new ATOM 970 N GLY A 63 -1.900 -3.583 7.569 1.00 0.00 N ATOM 971 CA GLY A 63 -2.174 -4.891 8.209 1.00 0.00 C ATOM 972 C GLY A 63 -1.058 -5.119 9.221 1.00 0.00 C ATOM 973 O GLY A 63 -1.290 -5.468 10.361 1.00 0.00 O ATOM 0 H GLY A 63 -1.268 -2.981 8.097 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.147 -4.887 8.699 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.194 -5.689 7.467 1.00 0.00 H new ATOM 977 N VAL A 64 0.165 -4.900 8.800 1.00 0.00 N ATOM 978 CA VAL A 64 1.319 -5.079 9.716 1.00 0.00 C ATOM 979 C VAL A 64 2.172 -3.794 9.793 1.00 0.00 C ATOM 980 O VAL A 64 2.307 -3.220 10.855 1.00 0.00 O ATOM 981 CB VAL A 64 2.094 -6.254 9.126 1.00 0.00 C ATOM 982 CG1 VAL A 64 1.132 -7.421 8.930 1.00 0.00 C ATOM 983 CG2 VAL A 64 2.682 -5.874 7.772 1.00 0.00 C ATOM 0 H VAL A 64 0.407 -4.603 7.855 1.00 0.00 H new ATOM 0 HA VAL A 64 1.014 -5.276 10.744 1.00 0.00 H new ATOM 0 HB VAL A 64 2.903 -6.527 9.803 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.671 -8.270 8.509 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.703 -7.704 9.891 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.334 -7.124 8.250 1.00 0.00 H new ATOM 0 HG21 VAL A 64 3.232 -6.722 7.363 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.877 -5.601 7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.358 -5.028 7.893 1.00 0.00 H new ATOM 993 N VAL A 65 2.749 -3.316 8.702 1.00 0.00 N ATOM 994 CA VAL A 65 3.580 -2.070 8.807 1.00 0.00 C ATOM 995 C VAL A 65 3.861 -1.413 7.445 1.00 0.00 C ATOM 996 O VAL A 65 3.006 -0.778 6.860 1.00 0.00 O ATOM 997 CB VAL A 65 4.898 -2.525 9.448 1.00 0.00 C ATOM 998 CG1 VAL A 65 5.862 -1.337 9.528 1.00 0.00 C ATOM 999 CG2 VAL A 65 4.633 -3.053 10.857 1.00 0.00 C ATOM 0 H VAL A 65 2.681 -3.725 7.770 1.00 0.00 H new ATOM 0 HA VAL A 65 3.052 -1.314 9.388 1.00 0.00 H new ATOM 0 HB VAL A 65 5.337 -3.317 8.841 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.799 -1.659 9.983 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.057 -0.959 8.525 1.00 0.00 H new ATOM 0 HG13 VAL A 65 5.417 -0.547 10.133 1.00 0.00 H new ATOM 0 HG21 VAL A 65 5.572 -3.375 11.308 1.00 0.00 H new ATOM 0 HG22 VAL A 65 4.191 -2.263 11.464 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.947 -3.898 10.806 1.00 0.00 H new ATOM 1009 N ARG A 66 5.084 -1.520 6.975 1.00 0.00 N ATOM 1010 CA ARG A 66 5.494 -0.871 5.692 1.00 0.00 C ATOM 1011 C ARG A 66 6.702 -1.601 5.094 1.00 0.00 C ATOM 1012 O ARG A 66 7.464 -2.230 5.800 1.00 0.00 O ATOM 1013 CB ARG A 66 5.879 0.542 6.124 1.00 0.00 C ATOM 1014 CG ARG A 66 5.647 1.540 4.988 1.00 0.00 C ATOM 1015 CD ARG A 66 5.398 2.937 5.568 1.00 0.00 C ATOM 1016 NE ARG A 66 4.853 2.721 6.937 1.00 0.00 N ATOM 1017 CZ ARG A 66 3.639 3.098 7.227 1.00 0.00 C ATOM 1018 NH1 ARG A 66 3.144 4.176 6.681 1.00 0.00 N ATOM 1019 NH2 ARG A 66 2.920 2.399 8.062 1.00 0.00 N ATOM 0 H ARG A 66 5.828 -2.041 7.439 1.00 0.00 H new ATOM 0 HA ARG A 66 4.716 -0.886 4.929 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.292 0.833 6.995 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.927 0.563 6.424 1.00 0.00 H new ATOM 0 HG2 ARG A 66 6.513 1.560 4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.793 1.228 4.386 1.00 0.00 H new ATOM 0 HD2 ARG A 66 6.321 3.516 5.602 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.694 3.496 4.951 1.00 0.00 H new ATOM 0 HE ARG A 66 5.431 2.277 7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.707 4.722 6.029 1.00 0.00 H new ATOM 0 HH12 ARG A 66 2.194 4.472 6.907 1.00 0.00 H new ATOM 0 HH21 ARG A 66 3.308 1.557 8.488 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.970 2.694 8.289 1.00 0.00 H new ATOM 1033 N PHE A 67 6.877 -1.546 3.796 1.00 0.00 N ATOM 1034 CA PHE A 67 8.031 -2.266 3.176 1.00 0.00 C ATOM 1035 C PHE A 67 8.595 -1.507 1.970 1.00 0.00 C ATOM 1036 O PHE A 67 8.184 -0.413 1.657 1.00 0.00 O ATOM 1037 CB PHE A 67 7.453 -3.606 2.725 1.00 0.00 C ATOM 1038 CG PHE A 67 7.023 -3.538 1.271 1.00 0.00 C ATOM 1039 CD1 PHE A 67 6.594 -2.324 0.706 1.00 0.00 C ATOM 1040 CD2 PHE A 67 7.054 -4.692 0.486 1.00 0.00 C ATOM 1041 CE1 PHE A 67 6.201 -2.273 -0.634 1.00 0.00 C ATOM 1042 CE2 PHE A 67 6.660 -4.636 -0.858 1.00 0.00 C ATOM 1043 CZ PHE A 67 6.233 -3.431 -1.416 1.00 0.00 C ATOM 0 H PHE A 67 6.277 -1.039 3.145 1.00 0.00 H new ATOM 0 HA PHE A 67 8.856 -2.371 3.880 1.00 0.00 H new ATOM 0 HB2 PHE A 67 8.198 -4.392 2.854 1.00 0.00 H new ATOM 0 HB3 PHE A 67 6.600 -3.870 3.350 1.00 0.00 H new ATOM 0 HD1 PHE A 67 6.568 -1.429 1.309 1.00 0.00 H new ATOM 0 HD2 PHE A 67 7.382 -5.628 0.914 1.00 0.00 H new ATOM 0 HE1 PHE A 67 5.873 -1.339 -1.065 1.00 0.00 H new ATOM 0 HE2 PHE A 67 6.687 -5.530 -1.464 1.00 0.00 H new ATOM 0 HZ PHE A 67 5.927 -3.393 -2.451 1.00 0.00 H new ATOM 1053 N VAL A 68 9.541 -2.104 1.296 1.00 0.00 N ATOM 1054 CA VAL A 68 10.135 -1.498 0.076 1.00 0.00 C ATOM 1055 C VAL A 68 9.428 -2.075 -1.151 1.00 0.00 C ATOM 1056 O VAL A 68 9.410 -3.285 -1.320 1.00 0.00 O ATOM 1057 CB VAL A 68 11.607 -1.852 0.109 1.00 0.00 C ATOM 1058 CG1 VAL A 68 12.342 -1.101 -1.001 1.00 0.00 C ATOM 1059 CG2 VAL A 68 12.195 -1.454 1.468 1.00 0.00 C ATOM 0 H VAL A 68 9.935 -3.010 1.550 1.00 0.00 H new ATOM 0 HA VAL A 68 10.018 -0.415 0.033 1.00 0.00 H new ATOM 0 HB VAL A 68 11.724 -2.925 -0.042 1.00 0.00 H new ATOM 0 HG11 VAL A 68 13.401 -1.358 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 68 11.925 -1.381 -1.968 1.00 0.00 H new ATOM 0 HG13 VAL A 68 12.225 -0.027 -0.853 1.00 0.00 H new ATOM 0 HG21 VAL A 68 13.255 -1.708 1.494 1.00 0.00 H new ATOM 0 HG22 VAL A 68 12.075 -0.381 1.616 1.00 0.00 H new ATOM 0 HG23 VAL A 68 11.674 -1.990 2.261 1.00 0.00 H new ATOM 1069 N GLY A 69 8.853 -1.275 -1.988 1.00 0.00 N ATOM 1070 CA GLY A 69 8.164 -1.851 -3.175 1.00 0.00 C ATOM 1071 C GLY A 69 7.955 -0.793 -4.259 1.00 0.00 C ATOM 1072 O GLY A 69 7.083 0.042 -4.158 1.00 0.00 O ATOM 0 H GLY A 69 8.826 -0.258 -1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 69 8.753 -2.676 -3.576 1.00 0.00 H new ATOM 0 HA3 GLY A 69 7.201 -2.264 -2.875 1.00 0.00 H new ATOM 1076 N ALA A 70 8.715 -0.840 -5.316 1.00 0.00 N ATOM 1077 CA ALA A 70 8.509 0.149 -6.404 1.00 0.00 C ATOM 1078 C ALA A 70 7.495 -0.430 -7.387 1.00 0.00 C ATOM 1079 O ALA A 70 6.316 -0.150 -7.282 1.00 0.00 O ATOM 1080 CB ALA A 70 9.883 0.345 -7.044 1.00 0.00 C ATOM 0 H ALA A 70 9.464 -1.515 -5.472 1.00 0.00 H new ATOM 0 HA ALA A 70 8.119 1.107 -6.059 1.00 0.00 H new ATOM 0 HB1 ALA A 70 9.806 1.065 -7.858 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.583 0.717 -6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.242 -0.607 -7.435 1.00 0.00 H new ATOM 1086 N PRO A 71 7.961 -1.264 -8.291 1.00 0.00 N ATOM 1087 CA PRO A 71 7.019 -1.893 -9.233 1.00 0.00 C ATOM 1088 C PRO A 71 6.362 -3.101 -8.567 1.00 0.00 C ATOM 1089 O PRO A 71 5.738 -3.920 -9.211 1.00 0.00 O ATOM 1090 CB PRO A 71 7.939 -2.377 -10.361 1.00 0.00 C ATOM 1091 CG PRO A 71 9.281 -2.574 -9.721 1.00 0.00 C ATOM 1092 CD PRO A 71 9.350 -1.671 -8.522 1.00 0.00 C ATOM 0 HA PRO A 71 6.224 -1.226 -9.567 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.571 -3.306 -10.797 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.991 -1.645 -11.167 1.00 0.00 H new ATOM 0 HG2 PRO A 71 9.415 -3.614 -9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 71 10.079 -2.338 -10.425 1.00 0.00 H new ATOM 0 HD2 PRO A 71 9.761 -2.191 -7.656 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.990 -0.809 -8.710 1.00 0.00 H new ATOM 1100 N SER A 72 6.479 -3.206 -7.266 1.00 0.00 N ATOM 1101 CA SER A 72 5.861 -4.363 -6.553 1.00 0.00 C ATOM 1102 C SER A 72 4.525 -3.982 -5.915 1.00 0.00 C ATOM 1103 O SER A 72 4.370 -4.020 -4.712 1.00 0.00 O ATOM 1104 CB SER A 72 6.876 -4.740 -5.472 1.00 0.00 C ATOM 1105 OG SER A 72 7.958 -3.818 -5.500 1.00 0.00 O ATOM 0 H SER A 72 6.974 -2.542 -6.670 1.00 0.00 H new ATOM 0 HA SER A 72 5.646 -5.185 -7.236 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.400 -4.730 -4.491 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.242 -5.753 -5.638 1.00 0.00 H new ATOM 0 HG SER A 72 8.777 -4.266 -5.203 1.00 0.00 H new ATOM 1111 N ARG A 73 3.547 -3.641 -6.705 1.00 0.00 N ATOM 1112 CA ARG A 73 2.217 -3.291 -6.133 1.00 0.00 C ATOM 1113 C ARG A 73 1.532 -4.559 -5.633 1.00 0.00 C ATOM 1114 O ARG A 73 0.785 -4.541 -4.677 1.00 0.00 O ATOM 1115 CB ARG A 73 1.433 -2.649 -7.274 1.00 0.00 C ATOM 1116 CG ARG A 73 1.648 -3.455 -8.556 1.00 0.00 C ATOM 1117 CD ARG A 73 2.636 -2.719 -9.463 1.00 0.00 C ATOM 1118 NE ARG A 73 1.789 -1.855 -10.330 1.00 0.00 N ATOM 1119 CZ ARG A 73 2.325 -1.202 -11.324 1.00 0.00 C ATOM 1120 NH1 ARG A 73 2.857 -1.853 -12.322 1.00 0.00 N ATOM 1121 NH2 ARG A 73 2.330 0.103 -11.321 1.00 0.00 N ATOM 0 H ARG A 73 3.610 -3.589 -7.722 1.00 0.00 H new ATOM 0 HA ARG A 73 2.291 -2.610 -5.285 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.372 -2.615 -7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 73 1.760 -1.619 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.029 -4.447 -8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.699 -3.596 -9.073 1.00 0.00 H new ATOM 0 HD2 ARG A 73 3.340 -2.125 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 73 3.224 -3.419 -10.057 1.00 0.00 H new ATOM 0 HE ARG A 73 0.789 -1.773 -10.147 1.00 0.00 H new ATOM 0 HH11 ARG A 73 2.854 -2.873 -12.325 1.00 0.00 H new ATOM 0 HH12 ARG A 73 3.276 -1.342 -13.099 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.915 0.613 -10.541 1.00 0.00 H new ATOM 0 HH22 ARG A 73 2.749 0.613 -12.098 1.00 0.00 H new ATOM 1135 N GLU A 74 1.779 -5.668 -6.279 1.00 0.00 N ATOM 1136 CA GLU A 74 1.145 -6.941 -5.837 1.00 0.00 C ATOM 1137 C GLU A 74 1.389 -7.132 -4.346 1.00 0.00 C ATOM 1138 O GLU A 74 0.516 -7.541 -3.606 1.00 0.00 O ATOM 1139 CB GLU A 74 1.830 -8.038 -6.647 1.00 0.00 C ATOM 1140 CG GLU A 74 0.776 -8.852 -7.402 1.00 0.00 C ATOM 1141 CD GLU A 74 -0.065 -7.917 -8.274 1.00 0.00 C ATOM 1142 OE1 GLU A 74 0.403 -6.827 -8.564 1.00 0.00 O ATOM 1143 OE2 GLU A 74 -1.162 -8.305 -8.636 1.00 0.00 O ATOM 0 H GLU A 74 2.391 -5.746 -7.091 1.00 0.00 H new ATOM 0 HA GLU A 74 0.067 -6.952 -5.995 1.00 0.00 H new ATOM 0 HB2 GLU A 74 2.537 -7.597 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 74 2.402 -8.689 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.260 -9.607 -8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 74 0.136 -9.381 -6.696 1.00 0.00 H new ATOM 1150 N GLU A 75 2.575 -6.825 -3.896 1.00 0.00 N ATOM 1151 CA GLU A 75 2.878 -6.976 -2.450 1.00 0.00 C ATOM 1152 C GLU A 75 1.738 -6.377 -1.629 1.00 0.00 C ATOM 1153 O GLU A 75 1.446 -6.816 -0.535 1.00 0.00 O ATOM 1154 CB GLU A 75 4.161 -6.173 -2.248 1.00 0.00 C ATOM 1155 CG GLU A 75 5.283 -7.117 -1.811 1.00 0.00 C ATOM 1156 CD GLU A 75 5.556 -6.932 -0.317 1.00 0.00 C ATOM 1157 OE1 GLU A 75 4.875 -6.122 0.295 1.00 0.00 O ATOM 1158 OE2 GLU A 75 6.447 -7.592 0.190 1.00 0.00 O ATOM 0 H GLU A 75 3.344 -6.477 -4.468 1.00 0.00 H new ATOM 0 HA GLU A 75 2.990 -8.015 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 75 4.436 -5.666 -3.173 1.00 0.00 H new ATOM 0 HB3 GLU A 75 4.006 -5.400 -1.495 1.00 0.00 H new ATOM 0 HG2 GLU A 75 5.003 -8.150 -2.015 1.00 0.00 H new ATOM 0 HG3 GLU A 75 6.187 -6.913 -2.384 1.00 0.00 H new ATOM 1165 N LEU A 76 1.075 -5.392 -2.168 1.00 0.00 N ATOM 1166 CA LEU A 76 -0.068 -4.777 -1.442 1.00 0.00 C ATOM 1167 C LEU A 76 -1.245 -5.745 -1.457 1.00 0.00 C ATOM 1168 O LEU A 76 -1.934 -5.924 -0.474 1.00 0.00 O ATOM 1169 CB LEU A 76 -0.409 -3.508 -2.222 1.00 0.00 C ATOM 1170 CG LEU A 76 0.879 -2.790 -2.633 1.00 0.00 C ATOM 1171 CD1 LEU A 76 0.540 -1.637 -3.573 1.00 0.00 C ATOM 1172 CD2 LEU A 76 1.577 -2.249 -1.391 1.00 0.00 C ATOM 0 H LEU A 76 1.277 -4.986 -3.082 1.00 0.00 H new ATOM 0 HA LEU A 76 0.166 -4.552 -0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.994 -3.760 -3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.025 -2.848 -1.610 1.00 0.00 H new ATOM 0 HG LEU A 76 1.540 -3.491 -3.143 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.457 -1.125 -3.866 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.042 -2.026 -4.461 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -0.121 -0.935 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 76 2.494 -1.738 -1.683 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.918 -1.548 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.819 -3.074 -0.721 1.00 0.00 H new ATOM 1184 N PHE A 77 -1.466 -6.389 -2.573 1.00 0.00 N ATOM 1185 CA PHE A 77 -2.585 -7.359 -2.654 1.00 0.00 C ATOM 1186 C PHE A 77 -2.406 -8.444 -1.583 1.00 0.00 C ATOM 1187 O PHE A 77 -3.352 -8.915 -0.985 1.00 0.00 O ATOM 1188 CB PHE A 77 -2.493 -7.964 -4.059 1.00 0.00 C ATOM 1189 CG PHE A 77 -2.354 -9.465 -3.961 1.00 0.00 C ATOM 1190 CD1 PHE A 77 -3.342 -10.219 -3.313 1.00 0.00 C ATOM 1191 CD2 PHE A 77 -1.237 -10.102 -4.512 1.00 0.00 C ATOM 1192 CE1 PHE A 77 -3.212 -11.608 -3.216 1.00 0.00 C ATOM 1193 CE2 PHE A 77 -1.107 -11.494 -4.416 1.00 0.00 C ATOM 1194 CZ PHE A 77 -2.095 -12.246 -3.768 1.00 0.00 C ATOM 0 H PHE A 77 -0.919 -6.282 -3.427 1.00 0.00 H new ATOM 0 HA PHE A 77 -3.555 -6.893 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -3.383 -7.709 -4.634 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -1.639 -7.544 -4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.204 -9.727 -2.888 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.475 -9.521 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.973 -12.188 -2.715 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -0.245 -11.987 -4.842 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.995 -13.319 -3.694 1.00 0.00 H new ATOM 1204 N GLU A 78 -1.190 -8.835 -1.340 1.00 0.00 N ATOM 1205 CA GLU A 78 -0.914 -9.873 -0.310 1.00 0.00 C ATOM 1206 C GLU A 78 -0.946 -9.249 1.089 1.00 0.00 C ATOM 1207 O GLU A 78 -1.180 -9.919 2.075 1.00 0.00 O ATOM 1208 CB GLU A 78 0.463 -10.427 -0.642 1.00 0.00 C ATOM 1209 CG GLU A 78 0.756 -11.635 0.250 1.00 0.00 C ATOM 1210 CD GLU A 78 2.166 -12.150 -0.040 1.00 0.00 C ATOM 1211 OE1 GLU A 78 2.541 -12.172 -1.202 1.00 0.00 O ATOM 1212 OE2 GLU A 78 2.848 -12.514 0.903 1.00 0.00 O ATOM 0 H GLU A 78 -0.363 -8.475 -1.817 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.662 -10.666 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.506 -10.718 -1.692 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.222 -9.659 -0.492 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.668 -11.356 1.300 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.025 -12.422 0.067 1.00 0.00 H new ATOM 1219 N ALA A 79 -0.679 -7.973 1.186 1.00 0.00 N ATOM 1220 CA ALA A 79 -0.669 -7.315 2.524 1.00 0.00 C ATOM 1221 C ALA A 79 -2.103 -7.120 3.014 1.00 0.00 C ATOM 1222 O ALA A 79 -2.392 -7.286 4.179 1.00 0.00 O ATOM 1223 CB ALA A 79 0.014 -5.967 2.306 1.00 0.00 C ATOM 0 H ALA A 79 -0.468 -7.360 0.398 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.149 -7.909 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.058 -5.424 3.250 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.025 -6.128 1.933 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -0.553 -5.385 1.579 1.00 0.00 H new ATOM 1229 N ILE A 80 -3.010 -6.792 2.139 1.00 0.00 N ATOM 1230 CA ILE A 80 -4.422 -6.621 2.573 1.00 0.00 C ATOM 1231 C ILE A 80 -4.946 -7.961 3.082 1.00 0.00 C ATOM 1232 O ILE A 80 -5.694 -8.029 4.034 1.00 0.00 O ATOM 1233 CB ILE A 80 -5.183 -6.146 1.344 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -5.157 -4.617 1.300 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -6.631 -6.630 1.425 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -3.708 -4.129 1.367 1.00 0.00 C ATOM 0 H ILE A 80 -2.836 -6.636 1.146 1.00 0.00 H new ATOM 0 HA ILE A 80 -4.534 -5.901 3.383 1.00 0.00 H new ATOM 0 HB ILE A 80 -4.718 -6.547 0.444 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -5.630 -4.261 0.385 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.728 -4.209 2.134 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.178 -6.291 0.545 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -6.649 -7.719 1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -7.100 -6.226 2.322 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.689 -3.040 1.336 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.251 -4.473 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.151 -4.526 0.519 1.00 0.00 H new ATOM 1248 N ASN A 81 -4.551 -9.033 2.448 1.00 0.00 N ATOM 1249 CA ASN A 81 -5.002 -10.387 2.893 1.00 0.00 C ATOM 1250 C ASN A 81 -4.275 -10.733 4.183 1.00 0.00 C ATOM 1251 O ASN A 81 -4.845 -11.338 5.091 1.00 0.00 O ATOM 1252 CB ASN A 81 -4.625 -11.339 1.776 1.00 0.00 C ATOM 1253 CG ASN A 81 -4.126 -12.654 2.380 1.00 0.00 C ATOM 1254 OD1 ASN A 81 -4.836 -13.638 2.392 1.00 0.00 O ATOM 1255 ND2 ASN A 81 -2.924 -12.710 2.887 1.00 0.00 N ATOM 0 H ASN A 81 -3.932 -9.030 1.637 1.00 0.00 H new ATOM 0 HA ASN A 81 -6.073 -10.439 3.087 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -5.486 -11.524 1.134 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.850 -10.896 1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.582 -13.581 3.293 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.327 -11.883 2.877 1.00 0.00 H new ATOM 1262 N ASP A 82 -3.024 -10.285 4.323 1.00 0.00 N ATOM 1263 CA ASP A 82 -2.378 -10.682 5.595 1.00 0.00 C ATOM 1264 C ASP A 82 -2.661 -9.589 6.610 1.00 0.00 C ATOM 1265 O ASP A 82 -2.656 -9.840 7.816 1.00 0.00 O ATOM 1266 CB ASP A 82 -0.838 -10.431 5.226 1.00 0.00 C ATOM 1267 CG ASP A 82 0.002 -10.318 6.509 1.00 0.00 C ATOM 1268 OD1 ASP A 82 -0.479 -9.716 7.456 1.00 0.00 O ATOM 1269 OD2 ASP A 82 1.100 -10.845 6.526 1.00 0.00 O ATOM 0 H ASP A 82 -2.485 -9.718 3.669 1.00 0.00 H new ATOM 0 HA ASP A 82 -2.669 -11.668 5.957 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -0.466 -11.249 4.609 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -0.741 -9.519 4.637 1.00 0.00 H new ATOM 1274 N GLU A 83 -3.257 -8.511 6.172 1.00 0.00 N ATOM 1275 CA GLU A 83 -3.779 -7.472 7.092 1.00 0.00 C ATOM 1276 C GLU A 83 -5.100 -7.921 7.677 1.00 0.00 C ATOM 1277 O GLU A 83 -5.280 -7.972 8.881 1.00 0.00 O ATOM 1278 CB GLU A 83 -3.959 -6.248 6.178 1.00 0.00 C ATOM 1279 CG GLU A 83 -4.917 -5.227 6.815 1.00 0.00 C ATOM 1280 CD GLU A 83 -6.320 -5.823 6.923 1.00 0.00 C ATOM 1281 OE1 GLU A 83 -6.935 -6.036 5.891 1.00 0.00 O ATOM 1282 OE2 GLU A 83 -6.755 -6.066 8.039 1.00 0.00 O ATOM 0 H GLU A 83 -3.405 -8.307 5.184 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.126 -7.265 7.940 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.992 -5.780 5.994 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -4.349 -6.565 5.211 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -4.556 -4.945 7.804 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.944 -4.318 6.214 1.00 0.00 H new ATOM 1289 N MET A 84 -6.035 -8.249 6.828 1.00 0.00 N ATOM 1290 CA MET A 84 -7.366 -8.703 7.321 1.00 0.00 C ATOM 1291 C MET A 84 -7.237 -10.064 8.013 1.00 0.00 C ATOM 1292 O MET A 84 -8.050 -10.425 8.842 1.00 0.00 O ATOM 1293 CB MET A 84 -8.220 -8.831 6.051 1.00 0.00 C ATOM 1294 CG MET A 84 -9.241 -9.962 6.215 1.00 0.00 C ATOM 1295 SD MET A 84 -8.914 -11.259 4.994 1.00 0.00 S ATOM 1296 CE MET A 84 -9.142 -10.245 3.519 1.00 0.00 C ATOM 0 H MET A 84 -5.935 -8.222 5.813 1.00 0.00 H new ATOM 0 HA MET A 84 -7.800 -8.016 8.048 1.00 0.00 H new ATOM 0 HB2 MET A 84 -8.735 -7.891 5.854 1.00 0.00 H new ATOM 0 HB3 MET A 84 -7.580 -9.030 5.191 1.00 0.00 H new ATOM 0 HG2 MET A 84 -9.183 -10.374 7.222 1.00 0.00 H new ATOM 0 HG3 MET A 84 -10.252 -9.574 6.087 1.00 0.00 H new ATOM 0 HE1 MET A 84 -9.578 -10.851 2.725 1.00 0.00 H new ATOM 0 HE2 MET A 84 -9.809 -9.414 3.748 1.00 0.00 H new ATOM 0 HE3 MET A 84 -8.177 -9.857 3.192 1.00 0.00 H new ATOM 1306 N GLU A 85 -6.219 -10.813 7.690 1.00 0.00 N ATOM 1307 CA GLU A 85 -6.037 -12.143 8.338 1.00 0.00 C ATOM 1308 C GLU A 85 -6.175 -12.015 9.858 1.00 0.00 C ATOM 1309 O GLU A 85 -5.320 -11.384 10.459 1.00 0.00 O ATOM 1310 CB GLU A 85 -4.620 -12.577 7.961 1.00 0.00 C ATOM 1311 CG GLU A 85 -4.429 -14.056 8.303 1.00 0.00 C ATOM 1312 CD GLU A 85 -4.625 -14.265 9.806 1.00 0.00 C ATOM 1313 OE1 GLU A 85 -3.899 -13.648 10.569 1.00 0.00 O ATOM 1314 OE2 GLU A 85 -5.502 -15.032 10.168 1.00 0.00 O ATOM 1315 OXT GLU A 85 -7.132 -12.549 10.393 1.00 0.00 O ATOM 0 H GLU A 85 -5.505 -10.562 7.006 1.00 0.00 H new ATOM 0 HA GLU A 85 -6.784 -12.867 8.013 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.450 -12.414 6.897 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.889 -11.972 8.497 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.142 -14.664 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.432 -14.382 8.007 1.00 0.00 H new