USER MOD reduce.3.24.130724 H: found=0, std=0, add=573, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 573 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.5!) USER MOD Single : A 13 GLN : amide:sc= -0.0671 X(o=-0.067,f=-0.14) USER MOD Single : A 17 ASN : amide:sc= -0.208 K(o=-0.21,f=-2.6!) USER MOD Single : A 18 HIS : no HD1:sc= -0.088 X(o=-0.088,f=-0.082) USER MOD Single : A 21 GLN :FLIP amide:sc= -0.202 F(o=-1.4!,f=-0.2) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0312 USER MOD Single : A 28 TYR OH : rot 180:sc= -0.225 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.744 (180deg=-1.92!) USER MOD Single : A 41 SER OG : rot -131:sc= 1.24 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.153) USER MOD Single : A 47 CYS SG : rot -139:sc= -6.11! USER MOD Single : A 50 TYR OH : rot -51:sc= 0.719 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 170:sc= -0.0265 (180deg=-0.248) USER MOD Single : A 62 SER OG : rot -86:sc= 1.21 USER MOD Single : A 65 GLN :FLIP amide:sc= 0 F(o=-0.74,f=0) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0024) USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -162:sc= -0.061 (180deg=-0.346) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -11.262 -21.891 -9.346 1.00 0.00 N ATOM 2 CA MET A 1 -10.403 -20.762 -9.735 1.00 0.00 C ATOM 3 C MET A 1 -9.759 -20.119 -8.523 1.00 0.00 C ATOM 4 O MET A 1 -10.444 -19.695 -7.604 1.00 0.00 O ATOM 5 CB MET A 1 -11.229 -19.700 -10.491 1.00 0.00 C ATOM 6 CG MET A 1 -10.429 -18.479 -10.899 1.00 0.00 C ATOM 7 SD MET A 1 -11.446 -17.212 -11.687 1.00 0.00 S ATOM 8 CE MET A 1 -10.248 -15.894 -11.917 1.00 0.00 C ATOM 0 H1 MET A 1 -11.689 -22.311 -10.196 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.691 -22.608 -8.855 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.014 -21.553 -8.712 1.00 0.00 H new ATOM 0 HA MET A 1 -9.619 -21.152 -10.384 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.660 -20.155 -11.383 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.061 -19.384 -9.861 1.00 0.00 H new ATOM 0 HG2 MET A 1 -9.945 -18.056 -10.019 1.00 0.00 H new ATOM 0 HG3 MET A 1 -9.636 -18.781 -11.584 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.732 -15.042 -12.395 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.851 -15.590 -10.948 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.433 -16.249 -12.548 1.00 0.00 H new ATOM 20 N THR A 2 -8.440 -20.063 -8.527 1.00 0.00 N ATOM 21 CA THR A 2 -7.703 -19.463 -7.427 1.00 0.00 C ATOM 22 C THR A 2 -6.998 -18.176 -7.892 1.00 0.00 C ATOM 23 O THR A 2 -6.165 -18.211 -8.794 1.00 0.00 O ATOM 24 CB THR A 2 -6.660 -20.456 -6.862 1.00 0.00 C ATOM 25 OG1 THR A 2 -7.276 -21.712 -6.584 1.00 0.00 O ATOM 26 CG2 THR A 2 -6.021 -19.916 -5.590 1.00 0.00 C ATOM 0 H THR A 2 -7.855 -20.426 -9.280 1.00 0.00 H new ATOM 0 HA THR A 2 -8.414 -19.215 -6.639 1.00 0.00 H new ATOM 0 HB THR A 2 -5.883 -20.587 -7.615 1.00 0.00 H new ATOM 0 HG1 THR A 2 -6.606 -22.333 -6.229 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.292 -20.635 -5.215 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.521 -18.972 -5.806 1.00 0.00 H new ATOM 0 HG23 THR A 2 -6.791 -19.754 -4.836 1.00 0.00 H new ATOM 34 N SER A 3 -7.364 -17.063 -7.288 1.00 0.00 N ATOM 35 CA SER A 3 -6.693 -15.786 -7.534 1.00 0.00 C ATOM 36 C SER A 3 -6.015 -15.317 -6.256 1.00 0.00 C ATOM 37 O SER A 3 -5.710 -14.129 -6.084 1.00 0.00 O ATOM 38 CB SER A 3 -7.708 -14.760 -8.018 1.00 0.00 C ATOM 39 OG SER A 3 -8.868 -14.734 -7.189 1.00 0.00 O ATOM 0 H SER A 3 -8.129 -17.010 -6.616 1.00 0.00 H new ATOM 0 HA SER A 3 -5.933 -15.909 -8.306 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.248 -13.772 -8.032 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.998 -14.991 -9.043 1.00 0.00 H new ATOM 0 HG SER A 3 -9.497 -14.063 -7.528 1.00 0.00 H new ATOM 45 N VAL A 4 -5.720 -16.267 -5.369 1.00 0.00 N ATOM 46 CA VAL A 4 -5.189 -15.975 -4.043 1.00 0.00 C ATOM 47 C VAL A 4 -3.664 -15.857 -4.063 1.00 0.00 C ATOM 48 O VAL A 4 -3.079 -15.112 -3.268 1.00 0.00 O ATOM 49 CB VAL A 4 -5.598 -17.060 -3.022 1.00 0.00 C ATOM 50 CG1 VAL A 4 -5.212 -16.677 -1.607 1.00 0.00 C ATOM 51 CG2 VAL A 4 -7.084 -17.336 -3.129 1.00 0.00 C ATOM 0 H VAL A 4 -5.844 -17.263 -5.553 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.615 -15.019 -3.740 1.00 0.00 H new ATOM 0 HB VAL A 4 -5.053 -17.973 -3.261 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -5.517 -17.466 -0.920 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -4.132 -16.543 -1.548 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.709 -15.746 -1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.365 -18.102 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -7.640 -16.421 -2.923 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -7.318 -17.684 -4.135 1.00 0.00 H new ATOM 61 N PHE A 5 -3.035 -16.568 -4.982 1.00 0.00 N ATOM 62 CA PHE A 5 -1.587 -16.557 -5.098 1.00 0.00 C ATOM 63 C PHE A 5 -1.137 -15.220 -5.679 1.00 0.00 C ATOM 64 O PHE A 5 -0.087 -14.690 -5.328 1.00 0.00 O ATOM 65 CB PHE A 5 -1.085 -17.700 -5.980 1.00 0.00 C ATOM 66 CG PHE A 5 0.410 -17.722 -6.119 1.00 0.00 C ATOM 67 CD1 PHE A 5 1.217 -18.045 -5.024 1.00 0.00 C ATOM 68 CD2 PHE A 5 1.014 -17.429 -7.326 1.00 0.00 C ATOM 69 CE1 PHE A 5 2.587 -18.068 -5.146 1.00 0.00 C ATOM 70 CE2 PHE A 5 2.380 -17.448 -7.450 1.00 0.00 C ATOM 71 CZ PHE A 5 3.175 -17.764 -6.362 1.00 0.00 C ATOM 0 H PHE A 5 -3.507 -17.163 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 5 -1.164 -16.694 -4.103 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.419 -18.649 -5.560 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.535 -17.613 -6.969 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.761 -18.279 -4.073 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.404 -17.182 -8.182 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.202 -18.322 -4.296 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.837 -17.215 -8.401 1.00 0.00 H new ATOM 0 HZ PHE A 5 4.250 -17.773 -6.461 1.00 0.00 H new ATOM 81 N ASP A 6 -1.948 -14.689 -6.585 1.00 0.00 N ATOM 82 CA ASP A 6 -1.712 -13.379 -7.158 1.00 0.00 C ATOM 83 C ASP A 6 -1.680 -12.321 -6.060 1.00 0.00 C ATOM 84 O ASP A 6 -2.645 -12.164 -5.317 1.00 0.00 O ATOM 85 CB ASP A 6 -2.817 -13.061 -8.177 1.00 0.00 C ATOM 86 CG ASP A 6 -2.738 -11.647 -8.715 1.00 0.00 C ATOM 87 OD1 ASP A 6 -1.777 -11.327 -9.444 1.00 0.00 O ATOM 88 OD2 ASP A 6 -3.664 -10.858 -8.456 1.00 0.00 O ATOM 0 H ASP A 6 -2.783 -15.155 -6.939 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.747 -13.375 -7.665 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -2.751 -13.764 -9.007 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -3.790 -13.212 -7.709 1.00 0.00 H new ATOM 93 N ARG A 7 -0.561 -11.615 -5.949 1.00 0.00 N ATOM 94 CA ARG A 7 -0.425 -10.586 -4.922 1.00 0.00 C ATOM 95 C ARG A 7 -1.216 -9.337 -5.271 1.00 0.00 C ATOM 96 O ARG A 7 -1.324 -8.419 -4.465 1.00 0.00 O ATOM 97 CB ARG A 7 1.059 -10.219 -4.708 1.00 0.00 C ATOM 98 CG ARG A 7 1.662 -9.397 -5.846 1.00 0.00 C ATOM 99 CD ARG A 7 3.112 -9.030 -5.554 1.00 0.00 C ATOM 100 NE ARG A 7 3.584 -7.966 -6.441 1.00 0.00 N ATOM 101 CZ ARG A 7 4.756 -7.350 -6.326 1.00 0.00 C ATOM 102 NH1 ARG A 7 5.654 -7.804 -5.450 1.00 0.00 N ATOM 103 NH2 ARG A 7 5.052 -6.353 -7.132 1.00 0.00 N ATOM 0 H ARG A 7 0.256 -11.732 -6.548 1.00 0.00 H new ATOM 0 HA ARG A 7 -0.829 -10.999 -3.998 1.00 0.00 H new ATOM 0 HB2 ARG A 7 1.154 -9.659 -3.778 1.00 0.00 H new ATOM 0 HB3 ARG A 7 1.637 -11.136 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 7 1.608 -9.964 -6.775 1.00 0.00 H new ATOM 0 HG3 ARG A 7 1.077 -8.489 -5.992 1.00 0.00 H new ATOM 0 HD2 ARG A 7 3.205 -8.709 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 7 3.743 -9.911 -5.673 1.00 0.00 H new ATOM 0 HE ARG A 7 2.970 -7.676 -7.202 1.00 0.00 H new ATOM 0 HH11 ARG A 7 5.439 -8.618 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.556 -7.337 -5.356 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.383 -6.055 -7.842 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.950 -5.878 -7.047 1.00 0.00 H new ATOM 117 N ASP A 8 -1.731 -9.313 -6.498 1.00 0.00 N ATOM 118 CA ASP A 8 -2.612 -8.248 -6.993 1.00 0.00 C ATOM 119 C ASP A 8 -1.840 -6.958 -7.311 1.00 0.00 C ATOM 120 O ASP A 8 -2.202 -6.252 -8.234 1.00 0.00 O ATOM 121 CB ASP A 8 -3.739 -7.954 -5.996 1.00 0.00 C ATOM 122 CG ASP A 8 -4.851 -7.115 -6.600 1.00 0.00 C ATOM 123 OD1 ASP A 8 -5.740 -7.702 -7.273 1.00 0.00 O ATOM 124 OD2 ASP A 8 -4.883 -5.885 -6.395 1.00 0.00 O ATOM 0 H ASP A 8 -1.548 -10.041 -7.189 1.00 0.00 H new ATOM 0 HA ASP A 8 -3.050 -8.612 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.154 -8.895 -5.635 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.327 -7.435 -5.131 1.00 0.00 H new ATOM 129 N ASP A 9 -0.774 -6.720 -6.553 1.00 0.00 N ATOM 130 CA ASP A 9 -0.004 -5.483 -6.659 1.00 0.00 C ATOM 131 C ASP A 9 -0.847 -4.306 -6.255 1.00 0.00 C ATOM 132 O ASP A 9 -0.758 -3.212 -6.827 1.00 0.00 O ATOM 133 CB ASP A 9 0.552 -5.271 -8.069 1.00 0.00 C ATOM 134 CG ASP A 9 2.003 -5.702 -8.196 1.00 0.00 C ATOM 135 OD1 ASP A 9 2.247 -6.904 -8.466 1.00 0.00 O ATOM 136 OD2 ASP A 9 2.890 -4.856 -7.996 1.00 0.00 O ATOM 0 H ASP A 9 -0.421 -7.373 -5.853 1.00 0.00 H new ATOM 0 HA ASP A 9 0.844 -5.571 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -0.053 -5.831 -8.782 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.465 -4.218 -8.335 1.00 0.00 H new ATOM 141 N ILE A 10 -1.685 -4.520 -5.259 1.00 0.00 N ATOM 142 CA ILE A 10 -2.485 -3.455 -4.682 1.00 0.00 C ATOM 143 C ILE A 10 -1.673 -2.723 -3.608 1.00 0.00 C ATOM 144 O ILE A 10 -1.473 -3.228 -2.495 1.00 0.00 O ATOM 145 CB ILE A 10 -3.822 -3.978 -4.087 1.00 0.00 C ATOM 146 CG1 ILE A 10 -4.558 -2.864 -3.345 1.00 0.00 C ATOM 147 CG2 ILE A 10 -3.583 -5.182 -3.172 1.00 0.00 C ATOM 148 CD1 ILE A 10 -4.943 -1.688 -4.235 1.00 0.00 C ATOM 0 H ILE A 10 -1.831 -5.433 -4.828 1.00 0.00 H new ATOM 0 HA ILE A 10 -2.743 -2.763 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 10 -4.452 -4.307 -4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.459 -3.275 -2.891 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.928 -2.503 -2.532 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.535 -5.528 -2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.117 -5.986 -3.742 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.926 -4.891 -2.352 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.462 -0.936 -3.640 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -4.044 -1.250 -4.669 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.599 -2.035 -5.033 1.00 0.00 H new ATOM 160 N GLN A 11 -1.160 -1.561 -3.957 1.00 0.00 N ATOM 161 CA GLN A 11 -0.395 -0.775 -3.012 1.00 0.00 C ATOM 162 C GLN A 11 -1.311 0.223 -2.322 1.00 0.00 C ATOM 163 O GLN A 11 -2.334 0.638 -2.873 1.00 0.00 O ATOM 164 CB GLN A 11 0.758 -0.012 -3.677 1.00 0.00 C ATOM 165 CG GLN A 11 1.944 -0.881 -4.103 1.00 0.00 C ATOM 166 CD GLN A 11 1.728 -1.578 -5.428 1.00 0.00 C ATOM 167 OE1 GLN A 11 1.030 -1.065 -6.293 1.00 0.00 O ATOM 168 NE2 GLN A 11 2.372 -2.730 -5.616 1.00 0.00 N ATOM 0 H GLN A 11 -1.258 -1.142 -4.882 1.00 0.00 H new ATOM 0 HA GLN A 11 0.037 -1.470 -2.292 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.373 0.507 -4.555 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.115 0.752 -2.986 1.00 0.00 H new ATOM 0 HG2 GLN A 11 2.837 -0.259 -4.169 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.133 -1.629 -3.333 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.944 -3.123 -4.868 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.293 -3.219 -6.508 1.00 0.00 H new ATOM 177 N PHE A 12 -0.943 0.582 -1.126 1.00 0.00 N ATOM 178 CA PHE A 12 -1.694 1.548 -0.349 1.00 0.00 C ATOM 179 C PHE A 12 -0.759 2.659 0.083 1.00 0.00 C ATOM 180 O PHE A 12 0.437 2.627 -0.182 1.00 0.00 O ATOM 181 CB PHE A 12 -2.317 0.886 0.881 1.00 0.00 C ATOM 182 CG PHE A 12 -3.329 -0.185 0.576 1.00 0.00 C ATOM 183 CD1 PHE A 12 -4.656 0.145 0.318 1.00 0.00 C ATOM 184 CD2 PHE A 12 -2.971 -1.516 0.578 1.00 0.00 C ATOM 185 CE1 PHE A 12 -5.588 -0.845 0.063 1.00 0.00 C ATOM 186 CE2 PHE A 12 -3.894 -2.510 0.314 1.00 0.00 C ATOM 187 CZ PHE A 12 -5.208 -2.171 0.050 1.00 0.00 C ATOM 0 H PHE A 12 -0.115 0.218 -0.654 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.500 1.953 -0.961 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.520 0.452 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -2.795 1.655 1.488 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -4.960 1.181 0.317 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -1.948 -1.788 0.790 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.617 -0.579 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.590 -3.546 0.314 1.00 0.00 H new ATOM 0 HZ PHE A 12 -5.934 -2.941 -0.166 1.00 0.00 H new ATOM 197 N GLN A 13 -1.311 3.637 0.743 1.00 0.00 N ATOM 198 CA GLN A 13 -0.528 4.705 1.313 1.00 0.00 C ATOM 199 C GLN A 13 -1.097 5.030 2.662 1.00 0.00 C ATOM 200 O GLN A 13 -2.319 4.978 2.856 1.00 0.00 O ATOM 201 CB GLN A 13 -0.525 5.922 0.387 1.00 0.00 C ATOM 202 CG GLN A 13 -1.917 6.428 0.045 1.00 0.00 C ATOM 203 CD GLN A 13 -1.926 7.389 -1.134 1.00 0.00 C ATOM 204 OE1 GLN A 13 -0.964 8.122 -1.376 1.00 0.00 O ATOM 205 NE2 GLN A 13 -3.011 7.371 -1.891 1.00 0.00 N ATOM 0 H GLN A 13 -2.315 3.720 0.903 1.00 0.00 H new ATOM 0 HA GLN A 13 0.512 4.398 1.428 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.039 6.726 0.859 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.004 5.665 -0.535 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -2.561 5.578 -0.181 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.341 6.927 0.917 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -3.786 6.750 -1.657 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -3.073 7.978 -2.708 1.00 0.00 H new ATOM 214 N VAL A 14 -0.240 5.347 3.619 1.00 0.00 N ATOM 215 CA VAL A 14 -0.707 5.653 4.953 1.00 0.00 C ATOM 216 C VAL A 14 -1.058 7.113 5.027 1.00 0.00 C ATOM 217 O VAL A 14 -0.241 7.964 4.709 1.00 0.00 O ATOM 218 CB VAL A 14 0.346 5.314 6.031 1.00 0.00 C ATOM 219 CG1 VAL A 14 -0.179 5.630 7.416 1.00 0.00 C ATOM 220 CG2 VAL A 14 0.774 3.874 5.921 1.00 0.00 C ATOM 0 H VAL A 14 0.771 5.398 3.495 1.00 0.00 H new ATOM 0 HA VAL A 14 -1.585 5.038 5.153 1.00 0.00 H new ATOM 0 HB VAL A 14 1.224 5.937 5.862 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.580 5.383 8.158 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.418 6.691 7.481 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.078 5.043 7.607 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.516 3.655 6.689 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.092 3.226 6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.208 3.698 4.937 1.00 0.00 H new ATOM 230 N VAL A 15 -2.281 7.392 5.409 1.00 0.00 N ATOM 231 CA VAL A 15 -2.743 8.758 5.477 1.00 0.00 C ATOM 232 C VAL A 15 -3.074 9.103 6.911 1.00 0.00 C ATOM 233 O VAL A 15 -3.393 8.232 7.728 1.00 0.00 O ATOM 234 CB VAL A 15 -3.967 8.969 4.569 1.00 0.00 C ATOM 235 CG1 VAL A 15 -3.579 8.815 3.111 1.00 0.00 C ATOM 236 CG2 VAL A 15 -5.094 7.988 4.923 1.00 0.00 C ATOM 0 H VAL A 15 -2.974 6.693 5.677 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.952 9.419 5.122 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.334 9.983 4.731 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -4.457 8.967 2.483 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.818 9.553 2.857 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.183 7.813 2.944 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.946 8.160 4.265 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.739 6.965 4.797 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -5.398 8.141 5.958 1.00 0.00 H new ATOM 246 N VAL A 16 -2.993 10.387 7.234 1.00 0.00 N ATOM 247 CA VAL A 16 -3.308 10.848 8.559 1.00 0.00 C ATOM 248 C VAL A 16 -4.416 11.897 8.513 1.00 0.00 C ATOM 249 O VAL A 16 -4.440 12.769 7.635 1.00 0.00 O ATOM 250 CB VAL A 16 -2.057 11.411 9.281 1.00 0.00 C ATOM 251 CG1 VAL A 16 -1.481 12.626 8.563 1.00 0.00 C ATOM 252 CG2 VAL A 16 -2.370 11.764 10.725 1.00 0.00 C ATOM 0 H VAL A 16 -2.710 11.122 6.586 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.661 9.990 9.131 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.305 10.622 9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -0.606 12.987 9.104 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.192 12.347 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -2.233 13.414 8.521 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.474 12.156 11.206 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -3.157 12.518 10.753 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -2.704 10.871 11.254 1.00 0.00 H new ATOM 262 N ASN A 17 -5.348 11.784 9.429 1.00 0.00 N ATOM 263 CA ASN A 17 -6.428 12.740 9.571 1.00 0.00 C ATOM 264 C ASN A 17 -5.895 13.974 10.281 1.00 0.00 C ATOM 265 O ASN A 17 -4.876 13.899 10.975 1.00 0.00 O ATOM 266 CB ASN A 17 -7.582 12.129 10.371 1.00 0.00 C ATOM 267 CG ASN A 17 -8.759 13.072 10.556 1.00 0.00 C ATOM 268 OD1 ASN A 17 -9.044 13.899 9.690 1.00 0.00 O ATOM 269 ND2 ASN A 17 -9.450 12.962 11.673 1.00 0.00 N ATOM 0 H ASN A 17 -5.381 11.020 10.104 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.806 13.013 8.586 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.926 11.227 9.866 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.213 11.825 11.351 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.249 13.574 11.841 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.186 12.265 12.370 1.00 0.00 H new ATOM 276 N HIS A 18 -6.548 15.116 10.092 1.00 0.00 N ATOM 277 CA HIS A 18 -6.148 16.367 10.745 1.00 0.00 C ATOM 278 C HIS A 18 -6.303 16.271 12.266 1.00 0.00 C ATOM 279 O HIS A 18 -5.884 17.159 13.013 1.00 0.00 O ATOM 280 CB HIS A 18 -6.962 17.537 10.174 1.00 0.00 C ATOM 281 CG HIS A 18 -6.557 18.885 10.679 1.00 0.00 C ATOM 282 ND1 HIS A 18 -5.475 19.587 10.181 1.00 0.00 N ATOM 283 CD2 HIS A 18 -7.076 19.650 11.655 1.00 0.00 C ATOM 284 CE1 HIS A 18 -5.341 20.724 10.843 1.00 0.00 C ATOM 285 NE2 HIS A 18 -6.315 20.789 11.747 1.00 0.00 N ATOM 0 H HIS A 18 -7.364 15.205 9.487 1.00 0.00 H new ATOM 0 HA HIS A 18 -5.093 16.546 10.540 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -6.872 17.529 9.088 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.015 17.378 10.408 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -7.939 19.411 12.259 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.576 21.468 10.679 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -6.470 21.557 12.400 1.00 0.00 H new ATOM 294 N GLU A 19 -6.914 15.189 12.715 1.00 0.00 N ATOM 295 CA GLU A 19 -7.112 14.938 14.136 1.00 0.00 C ATOM 296 C GLU A 19 -6.158 13.825 14.609 1.00 0.00 C ATOM 297 O GLU A 19 -6.358 13.232 15.678 1.00 0.00 O ATOM 298 CB GLU A 19 -8.568 14.551 14.374 1.00 0.00 C ATOM 299 CG GLU A 19 -9.532 15.605 13.903 1.00 0.00 C ATOM 300 CD GLU A 19 -10.970 15.115 13.874 1.00 0.00 C ATOM 301 OE1 GLU A 19 -11.388 14.558 12.846 1.00 0.00 O ATOM 302 OE2 GLU A 19 -11.670 15.288 14.895 1.00 0.00 O ATOM 0 H GLU A 19 -7.287 14.459 12.108 1.00 0.00 H new ATOM 0 HA GLU A 19 -6.889 15.838 14.710 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.780 13.614 13.859 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.723 14.372 15.438 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.462 16.474 14.557 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.245 15.934 12.904 1.00 0.00 H new ATOM 309 N GLU A 20 -5.137 13.567 13.804 1.00 0.00 N ATOM 310 CA GLU A 20 -4.085 12.594 14.129 1.00 0.00 C ATOM 311 C GLU A 20 -4.640 11.162 14.135 1.00 0.00 C ATOM 312 O GLU A 20 -4.577 10.458 15.151 1.00 0.00 O ATOM 313 CB GLU A 20 -3.406 12.939 15.454 1.00 0.00 C ATOM 314 CG GLU A 20 -2.126 12.146 15.732 1.00 0.00 C ATOM 315 CD GLU A 20 -1.422 12.587 16.974 1.00 0.00 C ATOM 316 OE1 GLU A 20 -1.766 12.084 18.073 1.00 0.00 O ATOM 317 OE2 GLU A 20 -0.523 13.441 16.882 1.00 0.00 O ATOM 0 H GLU A 20 -5.008 14.025 12.902 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.325 12.647 13.349 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.169 14.003 15.461 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -4.111 12.764 16.266 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.373 11.088 15.817 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.451 12.248 14.883 1.00 0.00 H new ATOM 324 N GLN A 21 -5.208 10.773 13.013 1.00 0.00 N ATOM 325 CA GLN A 21 -5.709 9.411 12.826 1.00 0.00 C ATOM 326 C GLN A 21 -4.987 8.787 11.654 1.00 0.00 C ATOM 327 O GLN A 21 -4.945 9.370 10.573 1.00 0.00 O ATOM 328 CB GLN A 21 -7.216 9.414 12.597 1.00 0.00 C ATOM 329 CG GLN A 21 -7.867 8.071 12.845 1.00 0.00 C ATOM 330 CD GLN A 21 -7.828 7.657 14.300 1.00 0.00 C ATOM 331 OE1 GLN A 21 -7.912 8.624 15.192 1.00 0.00 O flip ATOM 332 NE2 GLN A 21 -7.748 6.475 14.610 1.00 0.00 N flip ATOM 0 H GLN A 21 -5.339 11.381 12.205 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.519 8.825 13.725 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -7.673 10.157 13.251 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -7.419 9.723 11.572 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.904 8.108 12.511 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -7.365 7.313 12.243 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.685 5.761 13.885 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.745 6.205 15.594 1.00 0.00 H new ATOM 341 N TYR A 22 -4.410 7.625 11.842 1.00 0.00 N ATOM 342 CA TYR A 22 -3.656 6.979 10.784 1.00 0.00 C ATOM 343 C TYR A 22 -4.479 5.860 10.159 1.00 0.00 C ATOM 344 O TYR A 22 -5.141 5.085 10.872 1.00 0.00 O ATOM 345 CB TYR A 22 -2.330 6.441 11.325 1.00 0.00 C ATOM 346 CG TYR A 22 -1.325 7.524 11.644 1.00 0.00 C ATOM 347 CD1 TYR A 22 -0.444 8.002 10.677 1.00 0.00 C ATOM 348 CD2 TYR A 22 -1.256 8.080 12.925 1.00 0.00 C ATOM 349 CE1 TYR A 22 0.472 8.991 10.963 1.00 0.00 C ATOM 350 CE2 TYR A 22 -0.343 9.077 13.225 1.00 0.00 C ATOM 351 CZ TYR A 22 0.514 9.526 12.242 1.00 0.00 C ATOM 352 OH TYR A 22 1.442 10.510 12.524 1.00 0.00 O ATOM 0 H TYR A 22 -4.446 7.103 12.718 1.00 0.00 H new ATOM 0 HA TYR A 22 -3.434 7.715 10.012 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -2.524 5.859 12.226 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.898 5.759 10.592 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.480 7.588 9.680 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.926 7.726 13.694 1.00 0.00 H new ATOM 0 HE1 TYR A 22 1.149 9.345 10.200 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -0.302 9.499 14.218 1.00 0.00 H new ATOM 0 HH TYR A 22 1.350 10.788 13.459 1.00 0.00 H new ATOM 362 N SER A 23 -4.437 5.775 8.837 1.00 0.00 N ATOM 363 CA SER A 23 -5.175 4.753 8.109 1.00 0.00 C ATOM 364 C SER A 23 -4.457 4.501 6.776 1.00 0.00 C ATOM 365 O SER A 23 -3.421 5.101 6.514 1.00 0.00 O ATOM 366 CB SER A 23 -6.624 5.210 7.875 1.00 0.00 C ATOM 367 OG SER A 23 -7.391 4.180 7.250 1.00 0.00 O ATOM 0 H SER A 23 -3.897 6.405 8.244 1.00 0.00 H new ATOM 0 HA SER A 23 -5.211 3.828 8.685 1.00 0.00 H new ATOM 0 HB2 SER A 23 -7.081 5.482 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 23 -6.631 6.103 7.250 1.00 0.00 H new ATOM 0 HG SER A 23 -8.309 4.493 7.113 1.00 0.00 H new ATOM 373 N ILE A 24 -5.008 3.645 5.946 1.00 0.00 N ATOM 374 CA ILE A 24 -4.419 3.374 4.645 1.00 0.00 C ATOM 375 C ILE A 24 -5.434 3.570 3.536 1.00 0.00 C ATOM 376 O ILE A 24 -6.613 3.259 3.688 1.00 0.00 O ATOM 377 CB ILE A 24 -3.826 1.934 4.533 1.00 0.00 C ATOM 378 CG1 ILE A 24 -4.867 0.892 4.914 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.587 1.832 5.408 1.00 0.00 C ATOM 380 CD1 ILE A 24 -4.449 -0.529 4.568 1.00 0.00 C ATOM 0 H ILE A 24 -5.862 3.123 6.144 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.602 4.087 4.537 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.539 1.738 3.500 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -5.060 0.956 5.985 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.804 1.122 4.407 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.170 0.828 5.333 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.846 2.559 5.075 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.856 2.036 6.444 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.236 -1.222 4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.283 -0.608 3.494 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.528 -0.776 5.096 1.00 0.00 H new ATOM 392 N TRP A 25 -4.969 4.093 2.408 1.00 0.00 N ATOM 393 CA TRP A 25 -5.835 4.326 1.280 1.00 0.00 C ATOM 394 C TRP A 25 -5.140 3.818 0.008 1.00 0.00 C ATOM 395 O TRP A 25 -3.933 3.972 -0.126 1.00 0.00 O ATOM 396 CB TRP A 25 -6.123 5.835 1.182 1.00 0.00 C ATOM 397 CG TRP A 25 -7.274 6.182 0.291 1.00 0.00 C ATOM 398 CD1 TRP A 25 -7.205 6.805 -0.919 1.00 0.00 C ATOM 399 CD2 TRP A 25 -8.662 5.950 0.554 1.00 0.00 C ATOM 400 NE1 TRP A 25 -8.465 6.980 -1.427 1.00 0.00 N ATOM 401 CE2 TRP A 25 -9.361 6.453 -0.551 1.00 0.00 C ATOM 402 CE3 TRP A 25 -9.356 5.358 1.595 1.00 0.00 C ATOM 403 CZ2 TRP A 25 -10.760 6.384 -0.625 1.00 0.00 C ATOM 404 CZ3 TRP A 25 -10.737 5.277 1.513 1.00 0.00 C ATOM 405 CH2 TRP A 25 -11.423 5.805 0.401 1.00 0.00 C ATOM 0 H TRP A 25 -3.996 4.361 2.259 1.00 0.00 H new ATOM 0 HA TRP A 25 -6.779 3.794 1.399 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -6.322 6.221 2.182 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -5.229 6.341 0.817 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -6.292 7.115 -1.405 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -8.693 7.430 -2.314 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -8.832 4.967 2.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -11.292 6.782 -1.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -11.293 4.805 2.309 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -12.501 5.746 0.368 1.00 0.00 H new ATOM 416 N PRO A 26 -5.897 3.152 -0.891 1.00 0.00 N ATOM 417 CA PRO A 26 -5.374 2.682 -2.183 1.00 0.00 C ATOM 418 C PRO A 26 -4.522 3.761 -2.868 1.00 0.00 C ATOM 419 O PRO A 26 -4.984 4.872 -3.080 1.00 0.00 O ATOM 420 CB PRO A 26 -6.638 2.391 -3.007 1.00 0.00 C ATOM 421 CG PRO A 26 -7.802 2.782 -2.133 1.00 0.00 C ATOM 422 CD PRO A 26 -7.298 2.786 -0.714 1.00 0.00 C ATOM 0 HA PRO A 26 -4.724 1.814 -2.075 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -6.638 2.962 -3.936 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -6.692 1.337 -3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -8.181 3.765 -2.411 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -8.626 2.078 -2.249 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.832 3.505 -0.093 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.408 1.811 -0.239 1.00 0.00 H new ATOM 430 N GLU A 27 -3.296 3.395 -3.192 1.00 0.00 N ATOM 431 CA GLU A 27 -2.293 4.334 -3.708 1.00 0.00 C ATOM 432 C GLU A 27 -2.768 4.987 -5.031 1.00 0.00 C ATOM 433 O GLU A 27 -2.561 6.175 -5.216 1.00 0.00 O ATOM 434 CB GLU A 27 -0.973 3.620 -3.921 1.00 0.00 C ATOM 435 CG GLU A 27 0.180 4.557 -4.254 1.00 0.00 C ATOM 436 CD GLU A 27 1.435 3.816 -4.658 1.00 0.00 C ATOM 437 OE1 GLU A 27 1.503 3.358 -5.821 1.00 0.00 O ATOM 438 OE2 GLU A 27 2.370 3.691 -3.841 1.00 0.00 O ATOM 0 H GLU A 27 -2.957 2.437 -3.108 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.156 5.125 -2.971 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.725 3.057 -3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.087 2.896 -4.728 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.120 5.223 -5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.395 5.184 -3.389 1.00 0.00 H new ATOM 445 N TYR A 28 -3.397 4.219 -5.890 1.00 0.00 N ATOM 446 CA TYR A 28 -3.855 4.739 -7.183 1.00 0.00 C ATOM 447 C TYR A 28 -5.213 5.441 -7.050 1.00 0.00 C ATOM 448 O TYR A 28 -5.767 5.924 -8.041 1.00 0.00 O ATOM 449 CB TYR A 28 -3.898 3.649 -8.256 1.00 0.00 C ATOM 450 CG TYR A 28 -4.654 2.385 -7.895 1.00 0.00 C ATOM 451 CD1 TYR A 28 -5.781 2.411 -7.078 1.00 0.00 C ATOM 452 CD2 TYR A 28 -4.235 1.151 -8.385 1.00 0.00 C ATOM 453 CE1 TYR A 28 -6.461 1.237 -6.764 1.00 0.00 C ATOM 454 CE2 TYR A 28 -4.910 -0.014 -8.088 1.00 0.00 C ATOM 455 CZ TYR A 28 -6.016 0.027 -7.278 1.00 0.00 C ATOM 456 OH TYR A 28 -6.701 -1.132 -6.979 1.00 0.00 O ATOM 0 H TYR A 28 -3.609 3.234 -5.730 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.124 5.480 -7.507 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -4.346 4.071 -9.156 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.873 3.375 -8.508 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -6.132 3.353 -6.683 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.358 1.105 -9.014 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -7.330 1.268 -6.124 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -4.569 -0.956 -8.492 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.264 -1.892 -7.416 1.00 0.00 H new ATOM 466 N LYS A 29 -5.733 5.482 -5.847 1.00 0.00 N ATOM 467 CA LYS A 29 -7.009 6.125 -5.580 1.00 0.00 C ATOM 468 C LYS A 29 -6.767 7.493 -4.946 1.00 0.00 C ATOM 469 O LYS A 29 -5.803 7.682 -4.219 1.00 0.00 O ATOM 470 CB LYS A 29 -7.861 5.240 -4.672 1.00 0.00 C ATOM 471 CG LYS A 29 -9.248 5.781 -4.369 1.00 0.00 C ATOM 472 CD LYS A 29 -10.147 5.755 -5.569 1.00 0.00 C ATOM 473 CE LYS A 29 -10.604 4.324 -5.886 1.00 0.00 C ATOM 474 NZ LYS A 29 -11.554 4.294 -7.010 1.00 0.00 N ATOM 0 H LYS A 29 -5.290 5.074 -5.024 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.551 6.267 -6.515 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.963 4.259 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.331 5.093 -3.731 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -9.698 5.193 -3.569 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.164 6.804 -4.004 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.017 6.387 -5.389 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.623 6.172 -6.429 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -9.736 3.709 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.070 3.887 -5.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.841 3.312 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.393 4.860 -6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.100 4.689 -7.859 1.00 0.00 H new ATOM 488 N GLU A 30 -7.643 8.448 -5.238 1.00 0.00 N ATOM 489 CA GLU A 30 -7.512 9.797 -4.712 1.00 0.00 C ATOM 490 C GLU A 30 -7.902 9.823 -3.244 1.00 0.00 C ATOM 491 O GLU A 30 -8.920 9.242 -2.853 1.00 0.00 O ATOM 492 CB GLU A 30 -8.408 10.744 -5.506 1.00 0.00 C ATOM 493 CG GLU A 30 -8.333 12.187 -5.063 1.00 0.00 C ATOM 494 CD GLU A 30 -9.294 13.069 -5.816 1.00 0.00 C ATOM 495 OE1 GLU A 30 -8.960 13.484 -6.950 1.00 0.00 O ATOM 496 OE2 GLU A 30 -10.391 13.350 -5.286 1.00 0.00 O ATOM 0 H GLU A 30 -8.455 8.309 -5.840 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.475 10.119 -4.806 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -8.136 10.685 -6.560 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.440 10.404 -5.424 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -8.547 12.248 -3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.317 12.556 -5.206 1.00 0.00 H new ATOM 503 N ILE A 31 -7.090 10.499 -2.430 1.00 0.00 N ATOM 504 CA ILE A 31 -7.370 10.651 -1.002 1.00 0.00 C ATOM 505 C ILE A 31 -8.564 11.601 -0.791 1.00 0.00 C ATOM 506 O ILE A 31 -8.624 12.684 -1.379 1.00 0.00 O ATOM 507 CB ILE A 31 -6.133 11.226 -0.249 1.00 0.00 C ATOM 508 CG1 ILE A 31 -4.897 10.368 -0.509 1.00 0.00 C ATOM 509 CG2 ILE A 31 -6.408 11.292 1.247 1.00 0.00 C ATOM 510 CD1 ILE A 31 -3.625 10.922 0.117 1.00 0.00 C ATOM 0 H ILE A 31 -6.229 10.952 -2.737 1.00 0.00 H new ATOM 0 HA ILE A 31 -7.605 9.664 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 31 -5.946 12.233 -0.622 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.074 9.364 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.751 10.274 -1.585 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -5.535 11.696 1.760 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -7.267 11.937 1.431 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -6.619 10.291 1.623 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.790 10.260 -0.110 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.422 11.914 -0.288 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.751 10.990 1.198 1.00 0.00 H new ATOM 522 N PRO A 32 -9.534 11.192 0.060 1.00 0.00 N ATOM 523 CA PRO A 32 -10.676 12.038 0.419 1.00 0.00 C ATOM 524 C PRO A 32 -10.245 13.237 1.246 1.00 0.00 C ATOM 525 O PRO A 32 -9.196 13.187 1.909 1.00 0.00 O ATOM 526 CB PRO A 32 -11.583 11.122 1.263 1.00 0.00 C ATOM 527 CG PRO A 32 -11.079 9.732 0.999 1.00 0.00 C ATOM 528 CD PRO A 32 -9.608 9.881 0.721 1.00 0.00 C ATOM 0 HA PRO A 32 -11.171 12.437 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -11.520 11.371 2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -12.629 11.225 0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.252 9.083 1.857 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -11.595 9.283 0.150 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -9.018 9.856 1.637 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -9.234 9.083 0.080 1.00 0.00 H new ATOM 536 N GLN A 33 -11.041 14.304 1.208 1.00 0.00 N ATOM 537 CA GLN A 33 -10.746 15.507 1.942 1.00 0.00 C ATOM 538 C GLN A 33 -10.813 15.246 3.442 1.00 0.00 C ATOM 539 O GLN A 33 -11.658 14.492 3.922 1.00 0.00 O ATOM 540 CB GLN A 33 -11.721 16.618 1.555 1.00 0.00 C ATOM 541 CG GLN A 33 -11.567 17.094 0.121 1.00 0.00 C ATOM 542 CD GLN A 33 -12.386 18.334 -0.155 1.00 0.00 C ATOM 543 OE1 GLN A 33 -13.537 18.250 -0.578 1.00 0.00 O ATOM 544 NE2 GLN A 33 -11.799 19.488 0.067 1.00 0.00 N ATOM 0 H GLN A 33 -11.904 14.347 0.665 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.735 15.826 1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.741 16.262 1.703 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.578 17.465 2.227 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.516 17.301 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.872 16.299 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.842 19.514 0.419 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.300 20.358 -0.112 1.00 0.00 H new ATOM 553 N GLY A 34 -9.905 15.865 4.177 1.00 0.00 N ATOM 554 CA GLY A 34 -9.843 15.702 5.606 1.00 0.00 C ATOM 555 C GLY A 34 -8.607 14.924 6.021 1.00 0.00 C ATOM 556 O GLY A 34 -8.099 15.112 7.130 1.00 0.00 O ATOM 0 H GLY A 34 -9.196 16.491 3.795 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.837 16.681 6.086 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.736 15.182 5.954 1.00 0.00 H new ATOM 560 N TRP A 35 -8.118 14.088 5.129 1.00 0.00 N ATOM 561 CA TRP A 35 -6.938 13.276 5.394 1.00 0.00 C ATOM 562 C TRP A 35 -5.796 13.754 4.501 1.00 0.00 C ATOM 563 O TRP A 35 -6.034 14.428 3.497 1.00 0.00 O ATOM 564 CB TRP A 35 -7.219 11.799 5.095 1.00 0.00 C ATOM 565 CG TRP A 35 -8.339 11.206 5.907 1.00 0.00 C ATOM 566 CD1 TRP A 35 -9.671 11.469 5.799 1.00 0.00 C ATOM 567 CD2 TRP A 35 -8.211 10.228 6.951 1.00 0.00 C ATOM 568 NE1 TRP A 35 -10.385 10.710 6.699 1.00 0.00 N ATOM 569 CE2 TRP A 35 -9.509 9.947 7.422 1.00 0.00 C ATOM 570 CE3 TRP A 35 -7.134 9.567 7.518 1.00 0.00 C ATOM 571 CZ2 TRP A 35 -9.739 9.017 8.447 1.00 0.00 C ATOM 572 CZ3 TRP A 35 -7.366 8.654 8.540 1.00 0.00 C ATOM 573 CH2 TRP A 35 -8.665 8.394 8.991 1.00 0.00 C ATOM 0 H TRP A 35 -8.522 13.949 4.203 1.00 0.00 H new ATOM 0 HA TRP A 35 -6.670 13.378 6.446 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.458 11.693 4.037 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.311 11.224 5.276 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -10.106 12.173 5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -11.399 10.716 6.809 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -6.129 9.758 7.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -10.740 8.804 8.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.532 8.138 8.992 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.815 7.682 9.789 1.00 0.00 H new ATOM 584 N ARG A 36 -4.579 13.419 4.872 1.00 0.00 N ATOM 585 CA ARG A 36 -3.424 13.730 4.041 1.00 0.00 C ATOM 586 C ARG A 36 -2.425 12.594 4.091 1.00 0.00 C ATOM 587 O ARG A 36 -2.413 11.800 5.036 1.00 0.00 O ATOM 588 CB ARG A 36 -2.755 15.035 4.503 1.00 0.00 C ATOM 589 CG ARG A 36 -2.404 15.057 5.977 1.00 0.00 C ATOM 590 CD ARG A 36 -1.636 16.318 6.330 1.00 0.00 C ATOM 591 NE ARG A 36 -1.358 16.414 7.748 1.00 0.00 N ATOM 592 CZ ARG A 36 -0.254 16.977 8.264 1.00 0.00 C ATOM 593 NH1 ARG A 36 0.687 17.479 7.462 1.00 0.00 N ATOM 594 NH2 ARG A 36 -0.096 17.032 9.582 1.00 0.00 N ATOM 0 H ARG A 36 -4.359 12.932 5.741 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.767 13.861 3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.847 15.192 3.921 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.421 15.870 4.286 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.315 15.002 6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.806 14.180 6.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -0.697 16.336 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.209 17.190 6.015 1.00 0.00 H new ATOM 0 HE ARG A 36 -2.045 16.029 8.396 1.00 0.00 H new ATOM 0 HH11 ARG A 36 0.570 17.436 6.450 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.523 17.905 7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -0.812 16.647 10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.741 17.459 9.978 1.00 0.00 H new ATOM 608 N ALA A 37 -1.581 12.513 3.080 1.00 0.00 N ATOM 609 CA ALA A 37 -0.646 11.421 2.958 1.00 0.00 C ATOM 610 C ALA A 37 0.536 11.595 3.885 1.00 0.00 C ATOM 611 O ALA A 37 1.066 12.695 4.035 1.00 0.00 O ATOM 612 CB ALA A 37 -0.170 11.291 1.518 1.00 0.00 C ATOM 0 H ALA A 37 -1.527 13.199 2.327 1.00 0.00 H new ATOM 0 HA ALA A 37 -1.165 10.507 3.247 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.535 10.463 1.441 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.024 11.102 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.321 12.215 1.212 1.00 0.00 H new ATOM 618 N ALA A 38 0.920 10.512 4.537 1.00 0.00 N ATOM 619 CA ALA A 38 2.080 10.506 5.409 1.00 0.00 C ATOM 620 C ALA A 38 3.372 10.376 4.576 1.00 0.00 C ATOM 621 O ALA A 38 3.466 10.957 3.500 1.00 0.00 O ATOM 622 CB ALA A 38 1.968 9.383 6.419 1.00 0.00 C ATOM 0 H ALA A 38 0.438 9.615 4.477 1.00 0.00 H new ATOM 0 HA ALA A 38 2.121 11.450 5.953 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.844 9.388 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.070 9.523 7.021 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.909 8.428 5.896 1.00 0.00 H new ATOM 628 N GLY A 39 4.306 9.594 5.061 1.00 0.00 N ATOM 629 CA GLY A 39 5.588 9.474 4.383 1.00 0.00 C ATOM 630 C GLY A 39 6.024 8.037 4.168 1.00 0.00 C ATOM 631 O GLY A 39 7.211 7.714 4.264 1.00 0.00 O ATOM 0 H GLY A 39 4.212 9.036 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 39 5.528 9.976 3.417 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.349 9.993 4.966 1.00 0.00 H new ATOM 635 N LYS A 40 5.047 7.166 3.893 1.00 0.00 N ATOM 636 CA LYS A 40 5.340 5.758 3.639 1.00 0.00 C ATOM 637 C LYS A 40 4.194 5.125 2.810 1.00 0.00 C ATOM 638 O LYS A 40 3.072 4.994 3.279 1.00 0.00 O ATOM 639 CB LYS A 40 5.531 4.987 4.954 1.00 0.00 C ATOM 640 CG LYS A 40 6.485 3.810 4.858 1.00 0.00 C ATOM 641 CD LYS A 40 5.898 2.648 4.075 1.00 0.00 C ATOM 642 CE LYS A 40 4.981 1.791 4.925 1.00 0.00 C ATOM 643 NZ LYS A 40 5.738 1.020 5.965 1.00 0.00 N ATOM 0 H LYS A 40 4.058 7.411 3.842 1.00 0.00 H new ATOM 0 HA LYS A 40 6.270 5.697 3.075 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.898 5.676 5.715 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.560 4.626 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.410 4.134 4.382 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.744 3.474 5.862 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.343 3.032 3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 40 6.706 2.032 3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 40 4.240 2.425 5.412 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.436 1.098 4.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.184 0.188 6.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.650 0.710 5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 5.906 1.627 6.793 1.00 0.00 H new ATOM 657 N SER A 41 4.537 4.759 1.577 1.00 0.00 N ATOM 658 CA SER A 41 3.583 4.102 0.679 1.00 0.00 C ATOM 659 C SER A 41 4.002 2.661 0.454 1.00 0.00 C ATOM 660 O SER A 41 5.188 2.361 0.434 1.00 0.00 O ATOM 661 CB SER A 41 3.527 4.873 -0.654 1.00 0.00 C ATOM 662 OG SER A 41 2.300 4.657 -1.346 1.00 0.00 O ATOM 0 H SER A 41 5.463 4.904 1.176 1.00 0.00 H new ATOM 0 HA SER A 41 2.589 4.103 1.126 1.00 0.00 H new ATOM 0 HB2 SER A 41 3.652 5.939 -0.462 1.00 0.00 H new ATOM 0 HB3 SER A 41 4.359 4.564 -1.287 1.00 0.00 H new ATOM 0 HG SER A 41 2.487 4.428 -2.280 1.00 0.00 H new ATOM 668 N GLY A 42 3.024 1.788 0.275 1.00 0.00 N ATOM 669 CA GLY A 42 3.325 0.374 0.110 1.00 0.00 C ATOM 670 C GLY A 42 2.091 -0.491 0.228 1.00 0.00 C ATOM 671 O GLY A 42 1.017 0.003 0.557 1.00 0.00 O ATOM 0 H GLY A 42 2.033 2.026 0.240 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.787 0.214 -0.864 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.053 0.069 0.862 1.00 0.00 H new ATOM 675 N LEU A 43 2.232 -1.776 -0.017 1.00 0.00 N ATOM 676 CA LEU A 43 1.059 -2.670 0.018 1.00 0.00 C ATOM 677 C LEU A 43 0.693 -3.015 1.457 1.00 0.00 C ATOM 678 O LEU A 43 1.320 -2.546 2.386 1.00 0.00 O ATOM 679 CB LEU A 43 1.268 -3.938 -0.844 1.00 0.00 C ATOM 680 CG LEU A 43 2.240 -5.005 -0.332 1.00 0.00 C ATOM 681 CD1 LEU A 43 2.114 -6.256 -1.182 1.00 0.00 C ATOM 682 CD2 LEU A 43 3.680 -4.517 -0.348 1.00 0.00 C ATOM 0 H LEU A 43 3.117 -2.231 -0.239 1.00 0.00 H new ATOM 0 HA LEU A 43 0.219 -2.135 -0.424 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.296 -4.411 -0.983 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.611 -3.619 -1.828 1.00 0.00 H new ATOM 0 HG LEU A 43 1.978 -5.226 0.703 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.806 -7.015 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.094 -6.636 -1.122 1.00 0.00 H new ATOM 0 HD13 LEU A 43 2.351 -6.017 -2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 43 4.335 -5.305 0.023 1.00 0.00 H new ATOM 0 HD22 LEU A 43 3.965 -4.258 -1.368 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.773 -3.638 0.289 1.00 0.00 H new ATOM 694 N LYS A 44 -0.341 -3.837 1.636 1.00 0.00 N ATOM 695 CA LYS A 44 -0.876 -4.148 2.967 1.00 0.00 C ATOM 696 C LYS A 44 0.213 -4.630 3.925 1.00 0.00 C ATOM 697 O LYS A 44 0.175 -4.340 5.107 1.00 0.00 O ATOM 698 CB LYS A 44 -1.991 -5.189 2.884 1.00 0.00 C ATOM 699 CG LYS A 44 -1.516 -6.562 2.420 1.00 0.00 C ATOM 700 CD LYS A 44 -2.655 -7.540 2.223 1.00 0.00 C ATOM 701 CE LYS A 44 -3.629 -7.079 1.142 1.00 0.00 C ATOM 702 NZ LYS A 44 -4.741 -8.033 0.949 1.00 0.00 N ATOM 0 H LYS A 44 -0.830 -4.304 0.872 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.287 -3.219 3.363 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.457 -5.288 3.864 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -2.760 -4.830 2.200 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -0.969 -6.455 1.483 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -0.818 -6.967 3.153 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -2.251 -8.516 1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -3.191 -7.665 3.164 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.033 -6.103 1.411 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -3.093 -6.954 0.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.377 -7.679 0.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -4.359 -8.958 0.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.270 -8.134 1.839 1.00 0.00 H new ATOM 716 N LYS A 45 1.183 -5.385 3.408 1.00 0.00 N ATOM 717 CA LYS A 45 2.312 -5.853 4.199 1.00 0.00 C ATOM 718 C LYS A 45 3.031 -4.679 4.837 1.00 0.00 C ATOM 719 O LYS A 45 3.305 -4.673 6.043 1.00 0.00 O ATOM 720 CB LYS A 45 3.262 -6.653 3.299 1.00 0.00 C ATOM 721 CG LYS A 45 4.541 -7.109 3.977 1.00 0.00 C ATOM 722 CD LYS A 45 4.252 -7.978 5.194 1.00 0.00 C ATOM 723 CE LYS A 45 5.534 -8.599 5.743 1.00 0.00 C ATOM 724 NZ LYS A 45 6.553 -7.584 6.064 1.00 0.00 N ATOM 0 H LYS A 45 1.205 -5.686 2.434 1.00 0.00 H new ATOM 0 HA LYS A 45 1.954 -6.500 5.000 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.733 -7.529 2.923 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.522 -6.042 2.434 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.151 -7.668 3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.123 -6.239 4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.775 -7.378 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.549 -8.766 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 45 5.302 -9.174 6.639 1.00 0.00 H new ATOM 0 HE3 LYS A 45 5.939 -9.299 5.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 7.318 -8.022 6.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 6.943 -7.193 5.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 6.119 -6.820 6.620 1.00 0.00 H new ATOM 738 N ASP A 46 3.321 -3.691 4.019 1.00 0.00 N ATOM 739 CA ASP A 46 3.956 -2.457 4.468 1.00 0.00 C ATOM 740 C ASP A 46 3.096 -1.737 5.474 1.00 0.00 C ATOM 741 O ASP A 46 3.602 -1.066 6.370 1.00 0.00 O ATOM 742 CB ASP A 46 4.254 -1.539 3.289 1.00 0.00 C ATOM 743 CG ASP A 46 5.296 -2.084 2.365 1.00 0.00 C ATOM 744 OD1 ASP A 46 6.444 -2.314 2.814 1.00 0.00 O ATOM 745 OD2 ASP A 46 4.985 -2.259 1.179 1.00 0.00 O ATOM 0 H ASP A 46 3.125 -3.715 3.018 1.00 0.00 H new ATOM 0 HA ASP A 46 4.896 -2.729 4.948 1.00 0.00 H new ATOM 0 HB2 ASP A 46 3.335 -1.368 2.729 1.00 0.00 H new ATOM 0 HB3 ASP A 46 4.583 -0.570 3.665 1.00 0.00 H new ATOM 750 N CYS A 47 1.793 -1.849 5.314 1.00 0.00 N ATOM 751 CA CYS A 47 0.834 -1.200 6.183 1.00 0.00 C ATOM 752 C CYS A 47 0.832 -1.877 7.560 1.00 0.00 C ATOM 753 O CYS A 47 0.976 -1.211 8.573 1.00 0.00 O ATOM 754 CB CYS A 47 -0.558 -1.241 5.585 1.00 0.00 C ATOM 755 SG CYS A 47 -1.885 -1.052 6.804 1.00 0.00 S ATOM 0 H CYS A 47 1.366 -2.399 4.569 1.00 0.00 H new ATOM 0 HA CYS A 47 1.127 -0.156 6.294 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.647 -0.450 4.840 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -0.691 -2.188 5.062 1.00 0.00 H new ATOM 0 HG CYS A 47 -2.853 -1.873 6.522 1.00 0.00 H new ATOM 761 N LEU A 48 0.645 -3.203 7.549 1.00 0.00 N ATOM 762 CA LEU A 48 0.621 -3.975 8.788 1.00 0.00 C ATOM 763 C LEU A 48 1.840 -3.669 9.630 1.00 0.00 C ATOM 764 O LEU A 48 1.737 -3.353 10.818 1.00 0.00 O ATOM 765 CB LEU A 48 0.551 -5.472 8.469 1.00 0.00 C ATOM 766 CG LEU A 48 -0.545 -5.882 7.481 1.00 0.00 C ATOM 767 CD1 LEU A 48 -0.610 -7.390 7.322 1.00 0.00 C ATOM 768 CD2 LEU A 48 -1.884 -5.333 7.929 1.00 0.00 C ATOM 0 H LEU A 48 0.510 -3.755 6.702 1.00 0.00 H new ATOM 0 HA LEU A 48 -0.264 -3.695 9.358 1.00 0.00 H new ATOM 0 HB2 LEU A 48 1.515 -5.786 8.068 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.400 -6.018 9.400 1.00 0.00 H new ATOM 0 HG LEU A 48 -0.299 -5.459 6.507 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.398 -7.648 6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.346 -7.758 6.950 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -0.825 -7.849 8.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.655 -5.631 7.219 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.127 -5.727 8.916 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.834 -4.245 7.975 1.00 0.00 H new ATOM 780 N ALA A 49 2.999 -3.768 9.002 1.00 0.00 N ATOM 781 CA ALA A 49 4.261 -3.424 9.657 1.00 0.00 C ATOM 782 C ALA A 49 4.247 -2.002 10.191 1.00 0.00 C ATOM 783 O ALA A 49 4.539 -1.784 11.356 1.00 0.00 O ATOM 784 CB ALA A 49 5.416 -3.614 8.691 1.00 0.00 C ATOM 0 H ALA A 49 3.098 -4.084 8.037 1.00 0.00 H new ATOM 0 HA ALA A 49 4.390 -4.093 10.508 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.352 -3.356 9.187 1.00 0.00 H new ATOM 0 HB2 ALA A 49 5.452 -4.654 8.367 1.00 0.00 H new ATOM 0 HB3 ALA A 49 5.275 -2.969 7.824 1.00 0.00 H new ATOM 790 N TYR A 50 3.884 -1.059 9.317 1.00 0.00 N ATOM 791 CA TYR A 50 3.889 0.369 9.660 1.00 0.00 C ATOM 792 C TYR A 50 3.087 0.673 10.916 1.00 0.00 C ATOM 793 O TYR A 50 3.600 1.316 11.828 1.00 0.00 O ATOM 794 CB TYR A 50 3.342 1.194 8.493 1.00 0.00 C ATOM 795 CG TYR A 50 3.440 2.687 8.716 1.00 0.00 C ATOM 796 CD1 TYR A 50 4.581 3.388 8.353 1.00 0.00 C ATOM 797 CD2 TYR A 50 2.397 3.407 9.294 1.00 0.00 C ATOM 798 CE1 TYR A 50 4.681 4.756 8.549 1.00 0.00 C ATOM 799 CE2 TYR A 50 2.495 4.768 9.492 1.00 0.00 C ATOM 800 CZ TYR A 50 3.639 5.431 9.114 1.00 0.00 C ATOM 801 OH TYR A 50 3.734 6.790 9.288 1.00 0.00 O ATOM 0 H TYR A 50 3.582 -1.258 8.363 1.00 0.00 H new ATOM 0 HA TYR A 50 4.926 0.641 9.859 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.887 0.933 7.586 1.00 0.00 H new ATOM 0 HB3 TYR A 50 2.299 0.927 8.326 1.00 0.00 H new ATOM 0 HD1 TYR A 50 5.409 2.856 7.908 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.497 2.891 9.592 1.00 0.00 H new ATOM 0 HE1 TYR A 50 5.577 5.284 8.257 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.677 5.311 9.942 1.00 0.00 H new ATOM 0 HH TYR A 50 4.577 7.004 9.740 1.00 0.00 H new ATOM 811 N ILE A 51 1.834 0.239 10.966 1.00 0.00 N ATOM 812 CA ILE A 51 0.938 0.622 12.046 1.00 0.00 C ATOM 813 C ILE A 51 1.454 0.182 13.416 1.00 0.00 C ATOM 814 O ILE A 51 1.264 0.877 14.418 1.00 0.00 O ATOM 815 CB ILE A 51 -0.506 0.084 11.815 1.00 0.00 C ATOM 816 CG1 ILE A 51 -1.326 1.035 10.930 1.00 0.00 C ATOM 817 CG2 ILE A 51 -1.231 -0.143 13.137 1.00 0.00 C ATOM 818 CD1 ILE A 51 -0.775 1.196 9.523 1.00 0.00 C ATOM 0 H ILE A 51 1.416 -0.379 10.270 1.00 0.00 H new ATOM 0 HA ILE A 51 0.905 1.711 12.039 1.00 0.00 H new ATOM 0 HB ILE A 51 -0.409 -0.872 11.300 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -2.350 0.666 10.869 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.368 2.014 11.407 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -2.235 -0.518 12.941 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.681 -0.871 13.733 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.295 0.798 13.683 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.408 1.882 8.961 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.238 1.595 9.572 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -0.759 0.226 9.025 1.00 0.00 H new ATOM 830 N GLU A 52 2.086 -0.978 13.452 1.00 0.00 N ATOM 831 CA GLU A 52 2.601 -1.499 14.705 1.00 0.00 C ATOM 832 C GLU A 52 3.721 -0.637 15.280 1.00 0.00 C ATOM 833 O GLU A 52 3.759 -0.416 16.491 1.00 0.00 O ATOM 834 CB GLU A 52 3.065 -2.949 14.537 1.00 0.00 C ATOM 835 CG GLU A 52 1.928 -3.915 14.253 1.00 0.00 C ATOM 836 CD GLU A 52 2.359 -5.354 14.339 1.00 0.00 C ATOM 837 OE1 GLU A 52 2.496 -5.867 15.466 1.00 0.00 O ATOM 838 OE2 GLU A 52 2.538 -5.989 13.282 1.00 0.00 O ATOM 0 H GLU A 52 2.253 -1.570 12.639 1.00 0.00 H new ATOM 0 HA GLU A 52 1.780 -1.472 15.422 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.788 -3.000 13.722 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.583 -3.265 15.443 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.120 -3.738 14.963 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.528 -3.718 13.258 1.00 0.00 H new ATOM 845 N GLU A 53 4.627 -0.170 14.416 1.00 0.00 N ATOM 846 CA GLU A 53 5.812 0.582 14.840 1.00 0.00 C ATOM 847 C GLU A 53 5.507 1.707 15.863 1.00 0.00 C ATOM 848 O GLU A 53 6.075 1.676 16.956 1.00 0.00 O ATOM 849 CB GLU A 53 6.568 1.145 13.651 1.00 0.00 C ATOM 850 CG GLU A 53 6.824 0.115 12.572 1.00 0.00 C ATOM 851 CD GLU A 53 7.624 -1.080 13.072 1.00 0.00 C ATOM 852 OE1 GLU A 53 7.022 -2.034 13.628 1.00 0.00 O ATOM 853 OE2 GLU A 53 8.862 -1.071 12.898 1.00 0.00 O ATOM 0 H GLU A 53 4.560 -0.302 13.407 1.00 0.00 H new ATOM 0 HA GLU A 53 6.442 -0.144 15.354 1.00 0.00 H new ATOM 0 HB2 GLU A 53 6.002 1.974 13.227 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.521 1.551 13.992 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.870 -0.233 12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.360 0.585 11.747 1.00 0.00 H new ATOM 860 N VAL A 54 4.667 2.702 15.557 1.00 0.00 N ATOM 861 CA VAL A 54 4.007 2.895 14.254 1.00 0.00 C ATOM 862 C VAL A 54 4.829 3.851 13.372 1.00 0.00 C ATOM 863 O VAL A 54 5.072 3.600 12.186 1.00 0.00 O ATOM 864 CB VAL A 54 2.563 3.459 14.426 1.00 0.00 C ATOM 865 CG1 VAL A 54 2.541 4.611 15.419 1.00 0.00 C ATOM 866 CG2 VAL A 54 1.973 3.897 13.104 1.00 0.00 C ATOM 0 H VAL A 54 4.417 3.424 16.233 1.00 0.00 H new ATOM 0 HA VAL A 54 3.942 1.920 13.772 1.00 0.00 H new ATOM 0 HB VAL A 54 1.947 2.649 14.818 1.00 0.00 H new ATOM 0 HG11 VAL A 54 1.522 4.985 15.520 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.897 4.263 16.388 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.188 5.412 15.061 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.967 4.284 13.265 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.596 4.678 12.668 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.930 3.046 12.425 1.00 0.00 H new ATOM 876 N TRP A 55 5.251 4.943 13.978 1.00 0.00 N ATOM 877 CA TRP A 55 6.049 5.944 13.294 1.00 0.00 C ATOM 878 C TRP A 55 6.932 6.609 14.331 1.00 0.00 C ATOM 879 O TRP A 55 7.516 7.663 14.108 1.00 0.00 O ATOM 880 CB TRP A 55 5.120 6.958 12.603 1.00 0.00 C ATOM 881 CG TRP A 55 5.837 7.997 11.792 1.00 0.00 C ATOM 882 CD1 TRP A 55 6.554 7.795 10.649 1.00 0.00 C ATOM 883 CD2 TRP A 55 5.905 9.403 12.077 1.00 0.00 C ATOM 884 NE1 TRP A 55 7.062 8.993 10.197 1.00 0.00 N ATOM 885 CE2 TRP A 55 6.677 9.993 11.059 1.00 0.00 C ATOM 886 CE3 TRP A 55 5.386 10.209 13.092 1.00 0.00 C ATOM 887 CZ2 TRP A 55 6.943 11.373 11.036 1.00 0.00 C ATOM 888 CZ3 TRP A 55 5.651 11.573 13.066 1.00 0.00 C ATOM 889 CH2 TRP A 55 6.430 12.135 12.037 1.00 0.00 C ATOM 0 H TRP A 55 5.052 5.162 14.954 1.00 0.00 H new ATOM 0 HA TRP A 55 6.674 5.497 12.521 1.00 0.00 H new ATOM 0 HB2 TRP A 55 4.431 6.418 11.953 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.518 7.458 13.362 1.00 0.00 H new ATOM 0 HD1 TRP A 55 6.701 6.838 10.170 1.00 0.00 H new ATOM 0 HE1 TRP A 55 7.631 9.118 9.360 1.00 0.00 H new ATOM 0 HE3 TRP A 55 4.789 9.780 13.883 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 7.536 11.813 10.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.255 12.209 13.844 1.00 0.00 H new ATOM 0 HH2 TRP A 55 6.625 13.197 12.043 1.00 0.00 H new ATOM 900 N THR A 56 7.049 5.927 15.457 1.00 0.00 N ATOM 901 CA THR A 56 7.648 6.513 16.636 1.00 0.00 C ATOM 902 C THR A 56 8.920 5.804 17.064 1.00 0.00 C ATOM 903 O THR A 56 9.857 6.439 17.542 1.00 0.00 O ATOM 904 CB THR A 56 6.640 6.523 17.787 1.00 0.00 C ATOM 905 OG1 THR A 56 5.957 5.264 17.827 1.00 0.00 O ATOM 906 CG2 THR A 56 5.628 7.652 17.637 1.00 0.00 C ATOM 0 H THR A 56 6.735 4.964 15.576 1.00 0.00 H new ATOM 0 HA THR A 56 7.925 7.535 16.377 1.00 0.00 H new ATOM 0 HB THR A 56 7.185 6.686 18.717 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.311 5.265 18.564 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.929 7.627 18.473 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.149 8.609 17.628 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.081 7.529 16.702 1.00 0.00 H new ATOM 914 N ASP A 57 8.953 4.486 16.894 1.00 0.00 N ATOM 915 CA ASP A 57 10.085 3.713 17.353 1.00 0.00 C ATOM 916 C ASP A 57 10.793 3.010 16.209 1.00 0.00 C ATOM 917 O ASP A 57 10.157 2.590 15.245 1.00 0.00 O ATOM 918 CB ASP A 57 9.671 2.681 18.397 1.00 0.00 C ATOM 919 CG ASP A 57 9.387 3.303 19.741 1.00 0.00 C ATOM 920 OD1 ASP A 57 10.299 3.933 20.313 1.00 0.00 O ATOM 921 OD2 ASP A 57 8.253 3.148 20.242 1.00 0.00 O ATOM 0 H ASP A 57 8.215 3.943 16.446 1.00 0.00 H new ATOM 0 HA ASP A 57 10.776 4.424 17.807 1.00 0.00 H new ATOM 0 HB2 ASP A 57 8.783 2.153 18.049 1.00 0.00 H new ATOM 0 HB3 ASP A 57 10.462 1.939 18.503 1.00 0.00 H new ATOM 926 N MET A 58 12.118 2.896 16.333 1.00 0.00 N ATOM 927 CA MET A 58 12.909 2.070 15.435 1.00 0.00 C ATOM 928 C MET A 58 12.870 0.638 15.973 1.00 0.00 C ATOM 929 O MET A 58 13.371 -0.302 15.343 1.00 0.00 O ATOM 930 CB MET A 58 14.351 2.590 15.326 1.00 0.00 C ATOM 931 CG MET A 58 15.231 1.761 14.415 1.00 0.00 C ATOM 932 SD MET A 58 14.529 1.502 12.766 1.00 0.00 S ATOM 933 CE MET A 58 14.364 3.189 12.196 1.00 0.00 C ATOM 0 H MET A 58 12.662 3.371 17.053 1.00 0.00 H new ATOM 0 HA MET A 58 12.495 2.103 14.427 1.00 0.00 H new ATOM 0 HB2 MET A 58 14.331 3.617 14.961 1.00 0.00 H new ATOM 0 HB3 MET A 58 14.795 2.615 16.321 1.00 0.00 H new ATOM 0 HG2 MET A 58 16.200 2.251 14.315 1.00 0.00 H new ATOM 0 HG3 MET A 58 15.410 0.792 14.881 1.00 0.00 H new ATOM 0 HE1 MET A 58 14.113 3.192 11.135 1.00 0.00 H new ATOM 0 HE2 MET A 58 13.573 3.687 12.757 1.00 0.00 H new ATOM 0 HE3 MET A 58 15.305 3.718 12.348 1.00 0.00 H new ATOM 943 N ARG A 59 12.280 0.485 17.140 1.00 0.00 N ATOM 944 CA ARG A 59 12.001 -0.831 17.728 1.00 0.00 C ATOM 945 C ARG A 59 10.694 -1.350 17.129 1.00 0.00 C ATOM 946 O ARG A 59 9.620 -0.900 17.513 1.00 0.00 O ATOM 947 CB ARG A 59 11.839 -0.720 19.244 1.00 0.00 C ATOM 948 CG ARG A 59 13.060 -0.154 19.945 1.00 0.00 C ATOM 949 CD ARG A 59 14.273 -1.071 19.797 1.00 0.00 C ATOM 950 NE ARG A 59 14.053 -2.355 20.404 1.00 0.00 N ATOM 951 CZ ARG A 59 14.421 -3.521 19.876 1.00 0.00 C ATOM 952 NH1 ARG A 59 14.998 -3.544 18.668 1.00 0.00 N ATOM 953 NH2 ARG A 59 14.200 -4.661 20.520 1.00 0.00 N ATOM 0 H ARG A 59 11.975 1.267 17.719 1.00 0.00 H new ATOM 0 HA ARG A 59 12.829 -1.507 17.514 1.00 0.00 H new ATOM 0 HB2 ARG A 59 10.979 -0.088 19.464 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.622 -1.707 19.651 1.00 0.00 H new ATOM 0 HG2 ARG A 59 13.294 0.828 19.533 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.839 -0.011 21.003 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.500 -1.204 18.739 1.00 0.00 H new ATOM 0 HD3 ARG A 59 15.143 -0.598 20.253 1.00 0.00 H new ATOM 0 HE ARG A 59 13.579 -2.375 21.307 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.152 -2.673 18.160 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.283 -4.432 18.256 1.00 0.00 H new ATOM 0 HH21 ARG A 59 13.743 -4.651 21.432 1.00 0.00 H new ATOM 0 HH22 ARG A 59 14.487 -5.546 20.103 1.00 0.00 H new ATOM 967 N PRO A 60 10.789 -2.305 16.197 1.00 0.00 N ATOM 968 CA PRO A 60 9.608 -2.775 15.460 1.00 0.00 C ATOM 969 C PRO A 60 8.688 -3.588 16.345 1.00 0.00 C ATOM 970 O PRO A 60 9.107 -4.521 17.027 1.00 0.00 O ATOM 971 CB PRO A 60 10.208 -3.646 14.345 1.00 0.00 C ATOM 972 CG PRO A 60 11.665 -3.357 14.346 1.00 0.00 C ATOM 973 CD PRO A 60 11.998 -2.983 15.755 1.00 0.00 C ATOM 0 HA PRO A 60 8.995 -1.956 15.083 1.00 0.00 H new ATOM 0 HB2 PRO A 60 10.019 -4.703 14.530 1.00 0.00 H new ATOM 0 HB3 PRO A 60 9.762 -3.407 13.379 1.00 0.00 H new ATOM 0 HG2 PRO A 60 12.238 -4.227 14.025 1.00 0.00 H new ATOM 0 HG3 PRO A 60 11.905 -2.546 13.658 1.00 0.00 H new ATOM 0 HD2 PRO A 60 12.218 -3.859 16.366 1.00 0.00 H new ATOM 0 HD3 PRO A 60 12.870 -2.331 15.806 1.00 0.00 H new ATOM 981 N LEU A 61 7.414 -3.238 16.334 1.00 0.00 N ATOM 982 CA LEU A 61 6.423 -4.025 17.041 1.00 0.00 C ATOM 983 C LEU A 61 5.913 -5.112 16.119 1.00 0.00 C ATOM 984 O LEU A 61 5.330 -6.108 16.547 1.00 0.00 O ATOM 985 CB LEU A 61 5.253 -3.155 17.540 1.00 0.00 C ATOM 986 CG LEU A 61 5.513 -2.351 18.830 1.00 0.00 C ATOM 987 CD1 LEU A 61 5.912 -3.278 19.959 1.00 0.00 C ATOM 988 CD2 LEU A 61 6.576 -1.283 18.607 1.00 0.00 C ATOM 0 H LEU A 61 7.045 -2.421 15.847 1.00 0.00 H new ATOM 0 HA LEU A 61 6.892 -4.468 17.920 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.982 -2.457 16.748 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.390 -3.801 17.705 1.00 0.00 H new ATOM 0 HG LEU A 61 4.588 -1.846 19.107 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.092 -2.695 20.862 1.00 0.00 H new ATOM 0 HD12 LEU A 61 5.111 -3.994 20.143 1.00 0.00 H new ATOM 0 HD13 LEU A 61 6.821 -3.814 19.686 1.00 0.00 H new ATOM 0 HD21 LEU A 61 6.738 -0.732 19.533 1.00 0.00 H new ATOM 0 HD22 LEU A 61 7.508 -1.756 18.298 1.00 0.00 H new ATOM 0 HD23 LEU A 61 6.243 -0.595 17.830 1.00 0.00 H new ATOM 1000 N SER A 62 6.180 -4.918 14.826 1.00 0.00 N ATOM 1001 CA SER A 62 5.729 -5.836 13.796 1.00 0.00 C ATOM 1002 C SER A 62 6.607 -7.083 13.694 1.00 0.00 C ATOM 1003 O SER A 62 6.346 -7.966 12.874 1.00 0.00 O ATOM 1004 CB SER A 62 5.690 -5.100 12.462 1.00 0.00 C ATOM 1005 OG SER A 62 6.886 -4.359 12.255 1.00 0.00 O ATOM 0 H SER A 62 6.712 -4.123 14.472 1.00 0.00 H new ATOM 0 HA SER A 62 4.732 -6.184 14.066 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.556 -5.816 11.651 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.832 -4.428 12.438 1.00 0.00 H new ATOM 0 HG SER A 62 6.804 -3.480 12.680 1.00 0.00 H new ATOM 1011 N LEU A 63 7.653 -7.170 14.525 1.00 0.00 N ATOM 1012 CA LEU A 63 8.532 -8.330 14.502 1.00 0.00 C ATOM 1013 C LEU A 63 8.013 -9.414 15.439 1.00 0.00 C ATOM 1014 O LEU A 63 8.512 -10.542 15.416 1.00 0.00 O ATOM 1015 CB LEU A 63 9.981 -7.943 14.871 1.00 0.00 C ATOM 1016 CG LEU A 63 10.211 -7.350 16.268 1.00 0.00 C ATOM 1017 CD1 LEU A 63 10.288 -8.432 17.334 1.00 0.00 C ATOM 1018 CD2 LEU A 63 11.491 -6.534 16.276 1.00 0.00 C ATOM 0 H LEU A 63 7.904 -6.458 15.211 1.00 0.00 H new ATOM 0 HA LEU A 63 8.539 -8.723 13.485 1.00 0.00 H new ATOM 0 HB2 LEU A 63 10.604 -8.832 14.774 1.00 0.00 H new ATOM 0 HB3 LEU A 63 10.337 -7.222 14.135 1.00 0.00 H new ATOM 0 HG LEU A 63 9.360 -6.710 16.501 1.00 0.00 H new ATOM 0 HD11 LEU A 63 10.451 -7.972 18.308 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.354 -8.994 17.350 1.00 0.00 H new ATOM 0 HD13 LEU A 63 11.114 -9.107 17.108 1.00 0.00 H new ATOM 0 HD21 LEU A 63 11.649 -6.115 17.270 1.00 0.00 H new ATOM 0 HD22 LEU A 63 12.333 -7.175 16.014 1.00 0.00 H new ATOM 0 HD23 LEU A 63 11.411 -5.725 15.550 1.00 0.00 H new ATOM 1030 N ARG A 64 7.024 -9.077 16.254 1.00 0.00 N ATOM 1031 CA ARG A 64 6.497 -10.020 17.241 1.00 0.00 C ATOM 1032 C ARG A 64 5.861 -11.215 16.535 1.00 0.00 C ATOM 1033 O ARG A 64 6.154 -12.368 16.860 1.00 0.00 O ATOM 1034 CB ARG A 64 5.488 -9.323 18.157 1.00 0.00 C ATOM 1035 CG ARG A 64 5.138 -10.119 19.404 1.00 0.00 C ATOM 1036 CD ARG A 64 4.372 -9.264 20.405 1.00 0.00 C ATOM 1037 NE ARG A 64 3.077 -8.841 19.887 1.00 0.00 N ATOM 1038 CZ ARG A 64 2.482 -7.692 20.191 1.00 0.00 C ATOM 1039 NH1 ARG A 64 3.094 -6.815 20.986 1.00 0.00 N ATOM 1040 NH2 ARG A 64 1.299 -7.408 19.700 1.00 0.00 N ATOM 0 H ARG A 64 6.570 -8.164 16.255 1.00 0.00 H new ATOM 0 HA ARG A 64 7.318 -10.384 17.859 1.00 0.00 H new ATOM 0 HB2 ARG A 64 5.891 -8.356 18.456 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.575 -9.128 17.594 1.00 0.00 H new ATOM 0 HG2 ARG A 64 4.538 -10.987 19.129 1.00 0.00 H new ATOM 0 HG3 ARG A 64 6.050 -10.496 19.866 1.00 0.00 H new ATOM 0 HD2 ARG A 64 4.227 -9.828 21.326 1.00 0.00 H new ATOM 0 HD3 ARG A 64 4.965 -8.385 20.659 1.00 0.00 H new ATOM 0 HE ARG A 64 2.594 -9.471 19.246 1.00 0.00 H new ATOM 0 HH11 ARG A 64 4.019 -7.026 21.361 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.638 -5.933 21.219 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.831 -8.071 19.082 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.847 -6.525 19.937 1.00 0.00 H new ATOM 1054 N GLN A 65 5.016 -10.932 15.558 1.00 0.00 N ATOM 1055 CA GLN A 65 4.501 -11.959 14.680 1.00 0.00 C ATOM 1056 C GLN A 65 4.640 -11.496 13.234 1.00 0.00 C ATOM 1057 O GLN A 65 3.910 -10.619 12.776 1.00 0.00 O ATOM 1058 CB GLN A 65 3.047 -12.313 15.020 1.00 0.00 C ATOM 1059 CG GLN A 65 2.115 -11.121 15.105 1.00 0.00 C ATOM 1060 CD GLN A 65 0.671 -11.497 15.351 1.00 0.00 C ATOM 1061 OE1 GLN A 65 0.458 -12.559 16.107 1.00 0.00 O flip ATOM 1062 NE2 GLN A 65 -0.250 -10.822 14.903 1.00 0.00 N flip ATOM 0 H GLN A 65 4.673 -9.993 15.355 1.00 0.00 H new ATOM 0 HA GLN A 65 5.083 -12.870 14.819 1.00 0.00 H new ATOM 0 HB2 GLN A 65 2.668 -13.002 14.265 1.00 0.00 H new ATOM 0 HB3 GLN A 65 3.028 -12.842 15.973 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.452 -10.464 15.906 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.181 -10.552 14.177 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -0.050 -10.008 14.322 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -1.216 -11.075 15.111 1.00 0.00 H new ATOM 1071 N HIS A 66 5.627 -12.068 12.537 1.00 0.00 N ATOM 1072 CA HIS A 66 5.941 -11.678 11.169 1.00 0.00 C ATOM 1073 C HIS A 66 4.688 -11.710 10.298 1.00 0.00 C ATOM 1074 O HIS A 66 4.185 -10.683 9.853 1.00 0.00 O ATOM 1075 CB HIS A 66 6.995 -12.621 10.598 1.00 0.00 C ATOM 1076 CG HIS A 66 7.723 -12.063 9.422 1.00 0.00 C ATOM 1077 ND1 HIS A 66 7.263 -12.123 8.129 1.00 0.00 N ATOM 1078 CD2 HIS A 66 8.911 -11.413 9.365 1.00 0.00 C ATOM 1079 CE1 HIS A 66 8.123 -11.539 7.325 1.00 0.00 C ATOM 1080 NE2 HIS A 66 9.135 -11.092 8.060 1.00 0.00 N ATOM 0 H HIS A 66 6.224 -12.808 12.906 1.00 0.00 H new ATOM 0 HA HIS A 66 6.329 -10.659 11.176 1.00 0.00 H new ATOM 0 HB2 HIS A 66 7.716 -12.862 11.379 1.00 0.00 H new ATOM 0 HB3 HIS A 66 6.515 -13.555 10.307 1.00 0.00 H new ATOM 0 HD2 HIS A 66 9.560 -11.191 10.199 1.00 0.00 H new ATOM 0 HE1 HIS A 66 8.024 -11.440 6.254 1.00 0.00 H new ATOM 0 HE2 HIS A 66 9.948 -10.590 7.705 1.00 0.00 H new ATOM 1089 N MET A 67 4.179 -12.918 10.059 1.00 0.00 N ATOM 1090 CA MET A 67 2.866 -13.065 9.471 1.00 0.00 C ATOM 1091 C MET A 67 1.889 -13.543 10.551 1.00 0.00 C ATOM 1092 O MET A 67 0.857 -12.914 10.799 1.00 0.00 O ATOM 1093 CB MET A 67 2.878 -14.061 8.313 1.00 0.00 C ATOM 1094 CG MET A 67 1.561 -14.136 7.558 1.00 0.00 C ATOM 1095 SD MET A 67 1.595 -15.326 6.193 1.00 0.00 S ATOM 1096 CE MET A 67 -0.049 -15.106 5.509 1.00 0.00 C ATOM 0 H MET A 67 4.657 -13.795 10.264 1.00 0.00 H new ATOM 0 HA MET A 67 2.554 -12.099 9.075 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.670 -13.786 7.617 1.00 0.00 H new ATOM 0 HB3 MET A 67 3.122 -15.051 8.699 1.00 0.00 H new ATOM 0 HG2 MET A 67 0.766 -14.410 8.252 1.00 0.00 H new ATOM 0 HG3 MET A 67 1.316 -13.149 7.166 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.181 -15.773 4.657 1.00 0.00 H new ATOM 0 HE2 MET A 67 -0.794 -15.338 6.270 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.172 -14.073 5.183 1.00 0.00 H new ATOM 1106 N ASP A 68 2.266 -14.643 11.168 1.00 0.00 N ATOM 1107 CA ASP A 68 1.522 -15.212 12.298 1.00 0.00 C ATOM 1108 C ASP A 68 2.496 -15.867 13.248 1.00 0.00 C ATOM 1109 O ASP A 68 3.599 -16.270 12.854 1.00 0.00 O ATOM 1110 CB ASP A 68 0.505 -16.267 11.844 1.00 0.00 C ATOM 1111 CG ASP A 68 -0.650 -15.705 11.064 1.00 0.00 C ATOM 1112 OD1 ASP A 68 -1.593 -15.157 11.677 1.00 0.00 O ATOM 1113 OD2 ASP A 68 -0.639 -15.819 9.825 1.00 0.00 O ATOM 0 H ASP A 68 3.096 -15.176 10.909 1.00 0.00 H new ATOM 0 HA ASP A 68 0.980 -14.399 12.782 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.016 -17.010 11.232 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.120 -16.787 12.721 1.00 0.00 H new ATOM 1118 N LYS A 69 2.128 -15.981 14.517 1.00 0.00 N ATOM 1119 CA LYS A 69 2.953 -16.684 15.468 1.00 0.00 C ATOM 1120 C LYS A 69 2.252 -17.999 15.839 1.00 0.00 C ATOM 1121 O LYS A 69 1.448 -18.039 16.769 1.00 0.00 O ATOM 1122 CB LYS A 69 3.209 -15.842 16.708 1.00 0.00 C ATOM 1123 CG LYS A 69 4.607 -16.017 17.299 1.00 0.00 C ATOM 1124 CD LYS A 69 4.805 -17.389 17.948 1.00 0.00 C ATOM 1125 CE LYS A 69 6.255 -17.596 18.345 1.00 0.00 C ATOM 1126 NZ LYS A 69 7.157 -17.655 17.152 1.00 0.00 N ATOM 0 H LYS A 69 1.266 -15.595 14.903 1.00 0.00 H new ATOM 0 HA LYS A 69 3.924 -16.893 15.019 1.00 0.00 H new ATOM 0 HB2 LYS A 69 3.060 -14.791 16.459 1.00 0.00 H new ATOM 0 HB3 LYS A 69 2.470 -16.097 17.467 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.349 -15.881 16.513 1.00 0.00 H new ATOM 0 HG3 LYS A 69 4.783 -15.239 18.042 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.167 -17.475 18.828 1.00 0.00 H new ATOM 0 HD3 LYS A 69 4.498 -18.172 17.254 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.572 -16.784 19.000 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.347 -18.520 18.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 8.062 -18.091 17.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.708 -18.223 16.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 7.329 -16.692 16.799 1.00 0.00 H new ATOM 1140 N ALA A 70 2.569 -19.049 15.074 1.00 0.00 N ATOM 1141 CA ALA A 70 1.855 -20.323 15.145 1.00 0.00 C ATOM 1142 C ALA A 70 0.415 -20.163 14.679 1.00 0.00 C ATOM 1143 O ALA A 70 0.045 -20.606 13.578 1.00 0.00 O ATOM 1144 CB ALA A 70 1.897 -20.914 16.544 1.00 0.00 C ATOM 0 H ALA A 70 3.326 -19.037 14.391 1.00 0.00 H new ATOM 0 HA ALA A 70 2.363 -21.017 14.476 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.356 -21.860 16.556 1.00 0.00 H new ATOM 0 HB2 ALA A 70 2.933 -21.085 16.836 1.00 0.00 H new ATOM 0 HB3 ALA A 70 1.432 -20.221 17.246 1.00 0.00 H new ATOM 1150 N ALA A 71 -0.411 -19.547 15.495 1.00 0.00 N ATOM 1151 CA ALA A 71 -1.778 -19.253 15.127 1.00 0.00 C ATOM 1152 C ALA A 71 -2.147 -17.842 15.573 1.00 0.00 C ATOM 1153 O ALA A 71 -2.571 -17.003 14.782 1.00 0.00 O ATOM 1154 CB ALA A 71 -2.735 -20.280 15.716 1.00 0.00 C ATOM 0 H ALA A 71 -0.154 -19.236 16.432 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.865 -19.308 14.042 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -3.756 -20.035 15.424 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.479 -21.272 15.343 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -2.656 -20.269 16.803 1.00 0.00 H new ATOM 1160 N GLY A 72 -1.965 -17.593 16.868 1.00 0.00 N ATOM 1161 CA GLY A 72 -2.249 -16.290 17.432 1.00 0.00 C ATOM 1162 C GLY A 72 -2.493 -16.404 18.925 1.00 0.00 C ATOM 1163 O GLY A 72 -3.041 -17.438 19.363 1.00 0.00 O ATOM 1164 OXT GLY A 72 -2.111 -15.480 19.669 1.00 0.00 O ATOM 0 H GLY A 72 -1.622 -18.280 17.540 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.414 -15.615 17.244 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -3.124 -15.859 16.946 1.00 0.00 H new TER 1168 GLY A 72