USER MOD reduce.3.24.130724 H: found=0, std=0, add=576, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 574 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 4 THR OG1 : rot 29:sc= -1.56! USER MOD Set 1.2: A 32 THR OG1 : rot -103:sc= 1.2 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 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 100:sc= 1.12 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0.369 USER MOD Single : A 24 THR OG1 : rot -142:sc= -1.35 USER MOD Single : A 25 MET CE :methyl -124:sc= -1.23 (180deg=-6.59!) USER MOD Single : A 26 LYS NZ :NH3+ -134:sc= 0.0484 (180deg=-0.746) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0.085) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.2!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0.335 (180deg=0.325) USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= -0.204 (180deg=-0.765) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.064 USER MOD Single : A 51 ASN : amide:sc= -0.0794 X(o=-0.079,f=-0.0048) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.0122 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -117:sc= -0.385 (180deg=-1.48!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.890 -3.307 2.957 1.00 0.00 N ATOM 2 CA MET A 1 8.411 -2.084 3.556 1.00 0.00 C ATOM 3 C MET A 1 8.334 -0.921 2.571 1.00 0.00 C ATOM 4 O MET A 1 7.783 0.134 2.884 1.00 0.00 O ATOM 5 CB MET A 1 9.858 -2.288 4.008 1.00 0.00 C ATOM 6 CG MET A 1 10.519 -1.020 4.523 1.00 0.00 C ATOM 7 SD MET A 1 11.848 -1.355 5.694 1.00 0.00 S ATOM 8 CE MET A 1 12.386 0.309 6.081 1.00 0.00 C ATOM 0 H1 MET A 1 7.952 -4.084 3.645 1.00 0.00 H new ATOM 0 H2 MET A 1 6.896 -3.164 2.685 1.00 0.00 H new ATOM 0 H3 MET A 1 8.449 -3.546 2.113 1.00 0.00 H new ATOM 0 HA MET A 1 7.797 -1.844 4.424 1.00 0.00 H new ATOM 0 HB2 MET A 1 9.882 -3.044 4.792 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.439 -2.677 3.172 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.917 -0.454 3.680 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.768 -0.392 5.002 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.207 0.269 6.797 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.722 0.804 5.170 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.556 0.869 6.512 1.00 0.00 H new ATOM 18 N ASP A 2 8.889 -1.122 1.381 1.00 0.00 N ATOM 19 CA ASP A 2 8.882 -0.090 0.350 1.00 0.00 C ATOM 20 C ASP A 2 8.088 -0.546 -0.870 1.00 0.00 C ATOM 21 O ASP A 2 8.283 -0.040 -1.974 1.00 0.00 O ATOM 22 CB ASP A 2 10.313 0.261 -0.059 1.00 0.00 C ATOM 23 CG ASP A 2 11.231 -0.945 -0.048 1.00 0.00 C ATOM 24 OD1 ASP A 2 10.766 -2.049 -0.401 1.00 0.00 O ATOM 25 OD2 ASP A 2 12.416 -0.785 0.314 1.00 0.00 O ATOM 0 H ASP A 2 9.349 -1.990 1.106 1.00 0.00 H new ATOM 0 HA ASP A 2 8.402 0.798 0.762 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.305 0.699 -1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.706 1.019 0.619 1.00 0.00 H new ATOM 30 N GLU A 3 7.193 -1.507 -0.662 1.00 0.00 N ATOM 31 CA GLU A 3 6.371 -2.033 -1.746 1.00 0.00 C ATOM 32 C GLU A 3 7.236 -2.450 -2.931 1.00 0.00 C ATOM 33 O GLU A 3 6.909 -2.168 -4.085 1.00 0.00 O ATOM 34 CB GLU A 3 5.346 -0.987 -2.191 1.00 0.00 C ATOM 35 CG GLU A 3 4.198 -0.805 -1.213 1.00 0.00 C ATOM 36 CD GLU A 3 3.546 0.559 -1.327 1.00 0.00 C ATOM 37 OE1 GLU A 3 2.649 0.719 -2.180 1.00 0.00 O ATOM 38 OE2 GLU A 3 3.933 1.467 -0.561 1.00 0.00 O ATOM 0 H GLU A 3 7.019 -1.937 0.246 1.00 0.00 H new ATOM 0 HA GLU A 3 5.845 -2.913 -1.376 1.00 0.00 H new ATOM 0 HB2 GLU A 3 5.851 -0.031 -2.327 1.00 0.00 H new ATOM 0 HB3 GLU A 3 4.943 -1.276 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 3 3.449 -1.577 -1.389 1.00 0.00 H new ATOM 0 HG3 GLU A 3 4.566 -0.944 -0.196 1.00 0.00 H new ATOM 45 N THR A 4 8.345 -3.124 -2.639 1.00 0.00 N ATOM 46 CA THR A 4 9.259 -3.579 -3.679 1.00 0.00 C ATOM 47 C THR A 4 10.450 -4.317 -3.080 1.00 0.00 C ATOM 48 O THR A 4 11.302 -3.715 -2.428 1.00 0.00 O ATOM 49 CB THR A 4 9.774 -2.402 -4.529 1.00 0.00 C ATOM 50 OG1 THR A 4 10.807 -2.851 -5.413 1.00 0.00 O ATOM 51 CG2 THR A 4 10.307 -1.287 -3.643 1.00 0.00 C ATOM 0 H THR A 4 8.631 -3.366 -1.690 1.00 0.00 H new ATOM 0 HA THR A 4 8.697 -4.260 -4.318 1.00 0.00 H new ATOM 0 HB THR A 4 8.940 -2.013 -5.113 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.661 -3.795 -5.634 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.665 -0.467 -4.266 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.510 -0.927 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 4 11.128 -1.666 -3.035 1.00 0.00 H new ATOM 59 N GLY A 5 10.503 -5.627 -3.305 1.00 0.00 N ATOM 60 CA GLY A 5 11.595 -6.426 -2.780 1.00 0.00 C ATOM 61 C GLY A 5 11.667 -7.799 -3.418 1.00 0.00 C ATOM 62 O GLY A 5 12.173 -8.746 -2.815 1.00 0.00 O ATOM 0 H GLY A 5 9.809 -6.149 -3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 5 12.537 -5.902 -2.945 1.00 0.00 H new ATOM 0 HA3 GLY A 5 11.476 -6.535 -1.702 1.00 0.00 H new ATOM 66 N LYS A 6 11.158 -7.910 -4.640 1.00 0.00 N ATOM 67 CA LYS A 6 11.166 -9.178 -5.361 1.00 0.00 C ATOM 68 C LYS A 6 12.409 -9.298 -6.236 1.00 0.00 C ATOM 69 O LYS A 6 13.248 -10.172 -6.020 1.00 0.00 O ATOM 70 CB LYS A 6 9.908 -9.305 -6.222 1.00 0.00 C ATOM 71 CG LYS A 6 8.735 -8.486 -5.712 1.00 0.00 C ATOM 72 CD LYS A 6 8.617 -7.163 -6.450 1.00 0.00 C ATOM 73 CE LYS A 6 7.733 -6.181 -5.696 1.00 0.00 C ATOM 74 NZ LYS A 6 6.286 -6.447 -5.926 1.00 0.00 N ATOM 0 H LYS A 6 10.734 -7.137 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 6 11.180 -9.985 -4.628 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.142 -8.994 -7.240 1.00 0.00 H new ATOM 0 HB3 LYS A 6 9.615 -10.354 -6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.813 -9.055 -5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 6 8.857 -8.299 -4.645 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.609 -6.731 -6.586 1.00 0.00 H new ATOM 0 HD3 LYS A 6 8.205 -7.335 -7.444 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.949 -6.244 -4.629 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.970 -5.164 -6.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.717 -5.757 -5.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.074 -6.362 -6.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 6.054 -7.408 -5.603 1.00 0.00 H new ATOM 88 N GLU A 7 12.520 -8.415 -7.224 1.00 0.00 N ATOM 89 CA GLU A 7 13.662 -8.424 -8.130 1.00 0.00 C ATOM 90 C GLU A 7 14.054 -7.003 -8.526 1.00 0.00 C ATOM 91 O GLU A 7 13.985 -6.631 -9.698 1.00 0.00 O ATOM 92 CB GLU A 7 13.341 -9.243 -9.382 1.00 0.00 C ATOM 93 CG GLU A 7 11.952 -8.983 -9.940 1.00 0.00 C ATOM 94 CD GLU A 7 11.660 -9.800 -11.184 1.00 0.00 C ATOM 95 OE1 GLU A 7 12.623 -10.195 -11.874 1.00 0.00 O ATOM 96 OE2 GLU A 7 10.469 -10.044 -11.467 1.00 0.00 O ATOM 0 H GLU A 7 11.834 -7.685 -7.417 1.00 0.00 H new ATOM 0 HA GLU A 7 14.503 -8.883 -7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 7 14.080 -9.020 -10.151 1.00 0.00 H new ATOM 0 HB3 GLU A 7 13.436 -10.303 -9.147 1.00 0.00 H new ATOM 0 HG2 GLU A 7 11.209 -9.213 -9.176 1.00 0.00 H new ATOM 0 HG3 GLU A 7 11.851 -7.923 -10.174 1.00 0.00 H new ATOM 103 N LEU A 8 14.464 -6.213 -7.540 1.00 0.00 N ATOM 104 CA LEU A 8 14.866 -4.832 -7.783 1.00 0.00 C ATOM 105 C LEU A 8 16.239 -4.773 -8.446 1.00 0.00 C ATOM 106 O LEU A 8 17.125 -5.569 -8.135 1.00 0.00 O ATOM 107 CB LEU A 8 14.889 -4.048 -6.470 1.00 0.00 C ATOM 108 CG LEU A 8 13.580 -3.363 -6.074 1.00 0.00 C ATOM 109 CD1 LEU A 8 13.571 -3.048 -4.586 1.00 0.00 C ATOM 110 CD2 LEU A 8 13.372 -2.097 -6.891 1.00 0.00 C ATOM 0 H LEU A 8 14.527 -6.505 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 8 14.137 -4.381 -8.456 1.00 0.00 H new ATOM 0 HB2 LEU A 8 15.176 -4.729 -5.669 1.00 0.00 H new ATOM 0 HB3 LEU A 8 15.668 -3.288 -6.537 1.00 0.00 H new ATOM 0 HG LEU A 8 12.757 -4.046 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 8 12.632 -2.561 -4.323 1.00 0.00 H new ATOM 0 HD12 LEU A 8 13.672 -3.973 -4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 8 14.403 -2.384 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 8 12.436 -1.623 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 8 14.199 -1.409 -6.713 1.00 0.00 H new ATOM 0 HD23 LEU A 8 13.332 -2.350 -7.950 1.00 0.00 H new ATOM 122 N VAL A 9 16.408 -3.824 -9.362 1.00 0.00 N ATOM 123 CA VAL A 9 17.673 -3.660 -10.067 1.00 0.00 C ATOM 124 C VAL A 9 18.312 -2.314 -9.743 1.00 0.00 C ATOM 125 O VAL A 9 17.619 -1.310 -9.570 1.00 0.00 O ATOM 126 CB VAL A 9 17.484 -3.772 -11.592 1.00 0.00 C ATOM 127 CG1 VAL A 9 16.765 -5.064 -11.947 1.00 0.00 C ATOM 128 CG2 VAL A 9 16.725 -2.566 -12.124 1.00 0.00 C ATOM 0 H VAL A 9 15.685 -3.158 -9.633 1.00 0.00 H new ATOM 0 HA VAL A 9 18.330 -4.462 -9.730 1.00 0.00 H new ATOM 0 HB VAL A 9 18.467 -3.790 -12.063 1.00 0.00 H new ATOM 0 HG11 VAL A 9 16.640 -5.126 -13.028 1.00 0.00 H new ATOM 0 HG12 VAL A 9 17.352 -5.914 -11.600 1.00 0.00 H new ATOM 0 HG13 VAL A 9 15.786 -5.079 -11.468 1.00 0.00 H new ATOM 0 HG21 VAL A 9 16.600 -2.661 -13.203 1.00 0.00 H new ATOM 0 HG22 VAL A 9 15.745 -2.514 -11.649 1.00 0.00 H new ATOM 0 HG23 VAL A 9 17.285 -1.657 -11.902 1.00 0.00 H new ATOM 138 N LEU A 10 19.638 -2.299 -9.662 1.00 0.00 N ATOM 139 CA LEU A 10 20.372 -1.076 -9.358 1.00 0.00 C ATOM 140 C LEU A 10 20.796 -0.364 -10.639 1.00 0.00 C ATOM 141 O LEU A 10 21.191 -1.002 -11.614 1.00 0.00 O ATOM 142 CB LEU A 10 21.602 -1.394 -8.506 1.00 0.00 C ATOM 143 CG LEU A 10 22.676 -0.307 -8.447 1.00 0.00 C ATOM 144 CD1 LEU A 10 22.120 0.959 -7.815 1.00 0.00 C ATOM 145 CD2 LEU A 10 23.892 -0.801 -7.675 1.00 0.00 C ATOM 0 H LEU A 10 20.227 -3.120 -9.803 1.00 0.00 H new ATOM 0 HA LEU A 10 19.712 -0.414 -8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 10 21.270 -1.605 -7.489 1.00 0.00 H new ATOM 0 HB3 LEU A 10 22.058 -2.307 -8.888 1.00 0.00 H new ATOM 0 HG LEU A 10 22.986 -0.074 -9.465 1.00 0.00 H new ATOM 0 HD11 LEU A 10 22.899 1.721 -7.782 1.00 0.00 H new ATOM 0 HD12 LEU A 10 21.281 1.323 -8.408 1.00 0.00 H new ATOM 0 HD13 LEU A 10 21.781 0.742 -6.802 1.00 0.00 H new ATOM 0 HD21 LEU A 10 24.646 -0.015 -7.643 1.00 0.00 H new ATOM 0 HD22 LEU A 10 23.596 -1.062 -6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 10 24.305 -1.680 -8.170 1.00 0.00 H new ATOM 157 N ALA A 11 20.714 0.963 -10.627 1.00 0.00 N ATOM 158 CA ALA A 11 21.093 1.762 -11.786 1.00 0.00 C ATOM 159 C ALA A 11 22.592 2.046 -11.790 1.00 0.00 C ATOM 160 O ALA A 11 23.081 2.861 -11.008 1.00 0.00 O ATOM 161 CB ALA A 11 20.307 3.064 -11.809 1.00 0.00 C ATOM 0 H ALA A 11 20.389 1.507 -9.828 1.00 0.00 H new ATOM 0 HA ALA A 11 20.855 1.191 -12.684 1.00 0.00 H new ATOM 0 HB1 ALA A 11 20.600 3.651 -12.680 1.00 0.00 H new ATOM 0 HB2 ALA A 11 19.241 2.844 -11.862 1.00 0.00 H new ATOM 0 HB3 ALA A 11 20.516 3.631 -10.902 1.00 0.00 H new ATOM 167 N LEU A 12 23.315 1.368 -12.675 1.00 0.00 N ATOM 168 CA LEU A 12 24.759 1.547 -12.780 1.00 0.00 C ATOM 169 C LEU A 12 25.096 2.904 -13.389 1.00 0.00 C ATOM 170 O LEU A 12 25.991 3.604 -12.915 1.00 0.00 O ATOM 171 CB LEU A 12 25.370 0.429 -13.626 1.00 0.00 C ATOM 172 CG LEU A 12 24.973 -0.997 -13.243 1.00 0.00 C ATOM 173 CD1 LEU A 12 25.043 -1.914 -14.454 1.00 0.00 C ATOM 174 CD2 LEU A 12 25.865 -1.517 -12.125 1.00 0.00 C ATOM 0 H LEU A 12 22.925 0.690 -13.330 1.00 0.00 H new ATOM 0 HA LEU A 12 25.180 1.506 -11.776 1.00 0.00 H new ATOM 0 HB2 LEU A 12 25.092 0.595 -14.667 1.00 0.00 H new ATOM 0 HB3 LEU A 12 26.456 0.510 -13.570 1.00 0.00 H new ATOM 0 HG LEU A 12 23.944 -0.983 -12.883 1.00 0.00 H new ATOM 0 HD11 LEU A 12 24.757 -2.925 -14.162 1.00 0.00 H new ATOM 0 HD12 LEU A 12 24.362 -1.552 -15.224 1.00 0.00 H new ATOM 0 HD13 LEU A 12 26.060 -1.923 -14.845 1.00 0.00 H new ATOM 0 HD21 LEU A 12 25.568 -2.533 -11.865 1.00 0.00 H new ATOM 0 HD22 LEU A 12 26.903 -1.516 -12.458 1.00 0.00 H new ATOM 0 HD23 LEU A 12 25.764 -0.875 -11.250 1.00 0.00 H new ATOM 186 N TYR A 13 24.372 3.271 -14.441 1.00 0.00 N ATOM 187 CA TYR A 13 24.595 4.544 -15.115 1.00 0.00 C ATOM 188 C TYR A 13 23.294 5.332 -15.234 1.00 0.00 C ATOM 189 O TYR A 13 22.254 4.918 -14.721 1.00 0.00 O ATOM 190 CB TYR A 13 25.192 4.312 -16.504 1.00 0.00 C ATOM 191 CG TYR A 13 26.505 3.563 -16.481 1.00 0.00 C ATOM 192 CD1 TYR A 13 26.534 2.174 -16.468 1.00 0.00 C ATOM 193 CD2 TYR A 13 27.717 4.243 -16.470 1.00 0.00 C ATOM 194 CE1 TYR A 13 27.731 1.484 -16.446 1.00 0.00 C ATOM 195 CE2 TYR A 13 28.918 3.562 -16.450 1.00 0.00 C ATOM 196 CZ TYR A 13 28.921 2.183 -16.437 1.00 0.00 C ATOM 197 OH TYR A 13 30.116 1.501 -16.415 1.00 0.00 O ATOM 0 H TYR A 13 23.626 2.705 -14.845 1.00 0.00 H new ATOM 0 HA TYR A 13 25.298 5.125 -14.517 1.00 0.00 H new ATOM 0 HB2 TYR A 13 24.477 3.756 -17.110 1.00 0.00 H new ATOM 0 HB3 TYR A 13 25.341 5.275 -16.992 1.00 0.00 H new ATOM 0 HD1 TYR A 13 25.605 1.624 -16.475 1.00 0.00 H new ATOM 0 HD2 TYR A 13 27.720 5.323 -16.477 1.00 0.00 H new ATOM 0 HE1 TYR A 13 27.735 0.404 -16.436 1.00 0.00 H new ATOM 0 HE2 TYR A 13 29.851 4.107 -16.445 1.00 0.00 H new ATOM 0 HH TYR A 13 30.858 2.141 -16.412 1.00 0.00 H new ATOM 207 N ASP A 14 23.360 6.470 -15.916 1.00 0.00 N ATOM 208 CA ASP A 14 22.188 7.317 -16.106 1.00 0.00 C ATOM 209 C ASP A 14 21.583 7.107 -17.491 1.00 0.00 C ATOM 210 O ASP A 14 22.278 6.718 -18.430 1.00 0.00 O ATOM 211 CB ASP A 14 22.559 8.789 -15.916 1.00 0.00 C ATOM 212 CG ASP A 14 23.798 9.179 -16.698 1.00 0.00 C ATOM 213 OD1 ASP A 14 23.965 8.680 -17.831 1.00 0.00 O ATOM 214 OD2 ASP A 14 24.600 9.982 -16.178 1.00 0.00 O ATOM 0 H ASP A 14 24.213 6.827 -16.347 1.00 0.00 H new ATOM 0 HA ASP A 14 21.445 7.038 -15.359 1.00 0.00 H new ATOM 0 HB2 ASP A 14 21.723 9.415 -16.229 1.00 0.00 H new ATOM 0 HB3 ASP A 14 22.725 8.985 -14.857 1.00 0.00 H new ATOM 219 N TYR A 15 20.286 7.365 -17.609 1.00 0.00 N ATOM 220 CA TYR A 15 19.587 7.201 -18.879 1.00 0.00 C ATOM 221 C TYR A 15 18.634 8.366 -19.131 1.00 0.00 C ATOM 222 O TYR A 15 18.452 9.228 -18.272 1.00 0.00 O ATOM 223 CB TYR A 15 18.813 5.882 -18.891 1.00 0.00 C ATOM 224 CG TYR A 15 18.606 5.315 -20.278 1.00 0.00 C ATOM 225 CD1 TYR A 15 19.679 5.130 -21.141 1.00 0.00 C ATOM 226 CD2 TYR A 15 17.338 4.962 -20.723 1.00 0.00 C ATOM 227 CE1 TYR A 15 19.495 4.613 -22.409 1.00 0.00 C ATOM 228 CE2 TYR A 15 17.145 4.442 -21.989 1.00 0.00 C ATOM 229 CZ TYR A 15 18.226 4.270 -22.828 1.00 0.00 C ATOM 230 OH TYR A 15 18.039 3.753 -24.089 1.00 0.00 O ATOM 0 H TYR A 15 19.697 7.688 -16.842 1.00 0.00 H new ATOM 0 HA TYR A 15 20.331 7.186 -19.676 1.00 0.00 H new ATOM 0 HB2 TYR A 15 19.348 5.151 -18.285 1.00 0.00 H new ATOM 0 HB3 TYR A 15 17.841 6.036 -18.422 1.00 0.00 H new ATOM 0 HD1 TYR A 15 20.674 5.395 -20.815 1.00 0.00 H new ATOM 0 HD2 TYR A 15 16.489 5.096 -20.069 1.00 0.00 H new ATOM 0 HE1 TYR A 15 20.340 4.478 -23.068 1.00 0.00 H new ATOM 0 HE2 TYR A 15 16.153 4.172 -22.319 1.00 0.00 H new ATOM 0 HH TYR A 15 17.952 2.778 -24.033 1.00 0.00 H new ATOM 240 N GLN A 16 18.030 8.382 -20.314 1.00 0.00 N ATOM 241 CA GLN A 16 17.096 9.440 -20.680 1.00 0.00 C ATOM 242 C GLN A 16 16.066 8.934 -21.684 1.00 0.00 C ATOM 243 O GLN A 16 16.315 8.920 -22.889 1.00 0.00 O ATOM 244 CB GLN A 16 17.850 10.636 -21.265 1.00 0.00 C ATOM 245 CG GLN A 16 18.111 11.742 -20.256 1.00 0.00 C ATOM 246 CD GLN A 16 16.975 12.743 -20.180 1.00 0.00 C ATOM 247 OE1 GLN A 16 16.903 13.679 -20.976 1.00 0.00 O ATOM 248 NE2 GLN A 16 16.079 12.550 -19.219 1.00 0.00 N ATOM 0 H GLN A 16 18.170 7.675 -21.035 1.00 0.00 H new ATOM 0 HA GLN A 16 16.573 9.755 -19.777 1.00 0.00 H new ATOM 0 HB2 GLN A 16 18.802 10.292 -21.670 1.00 0.00 H new ATOM 0 HB3 GLN A 16 17.278 11.043 -22.099 1.00 0.00 H new ATOM 0 HG2 GLN A 16 18.268 11.301 -19.272 1.00 0.00 H new ATOM 0 HG3 GLN A 16 19.031 12.262 -20.523 1.00 0.00 H new ATOM 0 HE21 GLN A 16 16.178 11.760 -18.581 1.00 0.00 H new ATOM 0 HE22 GLN A 16 15.292 13.191 -19.119 1.00 0.00 H new ATOM 257 N GLU A 17 14.908 8.518 -21.179 1.00 0.00 N ATOM 258 CA GLU A 17 13.841 8.010 -22.033 1.00 0.00 C ATOM 259 C GLU A 17 13.544 8.983 -23.170 1.00 0.00 C ATOM 260 O GLU A 17 13.681 10.197 -23.016 1.00 0.00 O ATOM 261 CB GLU A 17 12.574 7.765 -21.212 1.00 0.00 C ATOM 262 CG GLU A 17 12.067 9.003 -20.490 1.00 0.00 C ATOM 263 CD GLU A 17 11.117 8.670 -19.357 1.00 0.00 C ATOM 264 OE1 GLU A 17 10.032 8.117 -19.635 1.00 0.00 O ATOM 265 OE2 GLU A 17 11.458 8.962 -18.192 1.00 0.00 O ATOM 0 H GLU A 17 14.686 8.523 -20.184 1.00 0.00 H new ATOM 0 HA GLU A 17 14.174 7.066 -22.464 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.790 7.393 -21.872 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.772 6.983 -20.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.916 9.562 -20.095 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.561 9.654 -21.204 1.00 0.00 H new ATOM 272 N LYS A 18 13.137 8.442 -24.313 1.00 0.00 N ATOM 273 CA LYS A 18 12.819 9.260 -25.477 1.00 0.00 C ATOM 274 C LYS A 18 11.350 9.115 -25.860 1.00 0.00 C ATOM 275 O LYS A 18 10.865 9.791 -26.766 1.00 0.00 O ATOM 276 CB LYS A 18 13.706 8.866 -26.661 1.00 0.00 C ATOM 277 CG LYS A 18 14.017 7.381 -26.720 1.00 0.00 C ATOM 278 CD LYS A 18 12.751 6.552 -26.866 1.00 0.00 C ATOM 279 CE LYS A 18 13.066 5.123 -27.283 1.00 0.00 C ATOM 280 NZ LYS A 18 11.850 4.402 -27.750 1.00 0.00 N ATOM 0 H LYS A 18 13.019 7.439 -24.458 1.00 0.00 H new ATOM 0 HA LYS A 18 13.008 10.302 -25.219 1.00 0.00 H new ATOM 0 HB2 LYS A 18 13.214 9.163 -27.587 1.00 0.00 H new ATOM 0 HB3 LYS A 18 14.641 9.423 -26.604 1.00 0.00 H new ATOM 0 HG2 LYS A 18 14.683 7.181 -27.559 1.00 0.00 H new ATOM 0 HG3 LYS A 18 14.546 7.083 -25.815 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.208 6.545 -25.921 1.00 0.00 H new ATOM 0 HD3 LYS A 18 12.097 7.012 -27.606 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.811 5.132 -28.079 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.505 4.587 -26.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 12.106 3.432 -28.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.149 4.371 -26.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 11.445 4.899 -28.569 1.00 0.00 H new ATOM 294 N SER A 19 10.646 8.229 -25.162 1.00 0.00 N ATOM 295 CA SER A 19 9.232 7.993 -25.430 1.00 0.00 C ATOM 296 C SER A 19 8.452 7.833 -24.129 1.00 0.00 C ATOM 297 O SER A 19 9.011 7.543 -23.071 1.00 0.00 O ATOM 298 CB SER A 19 9.057 6.747 -26.299 1.00 0.00 C ATOM 299 OG SER A 19 8.618 5.643 -25.526 1.00 0.00 O ATOM 0 H SER A 19 11.032 7.663 -24.407 1.00 0.00 H new ATOM 0 HA SER A 19 8.840 8.858 -25.965 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.336 6.950 -27.091 1.00 0.00 H new ATOM 0 HB3 SER A 19 10.002 6.502 -26.784 1.00 0.00 H new ATOM 0 HG SER A 19 8.512 4.860 -26.105 1.00 0.00 H new ATOM 305 N PRO A 20 7.127 8.028 -24.207 1.00 0.00 N ATOM 306 CA PRO A 20 6.240 7.911 -23.046 1.00 0.00 C ATOM 307 C PRO A 20 6.099 6.470 -22.567 1.00 0.00 C ATOM 308 O PRO A 20 5.622 6.217 -21.461 1.00 0.00 O ATOM 309 CB PRO A 20 4.900 8.434 -23.568 1.00 0.00 C ATOM 310 CG PRO A 20 4.952 8.206 -25.040 1.00 0.00 C ATOM 311 CD PRO A 20 6.393 8.377 -25.435 1.00 0.00 C ATOM 0 HA PRO A 20 6.621 8.461 -22.185 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.064 7.902 -23.114 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.770 9.491 -23.335 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.594 7.208 -25.293 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.316 8.917 -25.568 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.663 7.723 -26.264 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.604 9.398 -25.753 1.00 0.00 H new ATOM 319 N ARG A 21 6.517 5.529 -23.407 1.00 0.00 N ATOM 320 CA ARG A 21 6.437 4.113 -23.070 1.00 0.00 C ATOM 321 C ARG A 21 7.701 3.652 -22.349 1.00 0.00 C ATOM 322 O ARG A 21 7.658 2.741 -21.524 1.00 0.00 O ATOM 323 CB ARG A 21 6.224 3.277 -24.333 1.00 0.00 C ATOM 324 CG ARG A 21 5.429 2.004 -24.095 1.00 0.00 C ATOM 325 CD ARG A 21 4.809 1.484 -25.383 1.00 0.00 C ATOM 326 NE ARG A 21 3.927 0.345 -25.145 1.00 0.00 N ATOM 327 CZ ARG A 21 3.286 -0.302 -26.112 1.00 0.00 C ATOM 328 NH1 ARG A 21 3.429 0.075 -27.375 1.00 0.00 N ATOM 329 NH2 ARG A 21 2.501 -1.330 -25.816 1.00 0.00 N ATOM 0 H ARG A 21 6.915 5.722 -24.326 1.00 0.00 H new ATOM 0 HA ARG A 21 5.587 3.973 -22.402 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.708 3.884 -25.077 1.00 0.00 H new ATOM 0 HB3 ARG A 21 7.195 3.015 -24.753 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.081 1.241 -23.670 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.644 2.196 -23.364 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.246 2.284 -25.863 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.600 1.192 -26.074 1.00 0.00 H new ATOM 0 HE ARG A 21 3.796 0.029 -24.184 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.033 0.864 -27.607 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.935 -0.424 -28.115 1.00 0.00 H new ATOM 0 HH21 ARG A 21 2.390 -1.624 -24.846 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.009 -1.826 -26.559 1.00 0.00 H new ATOM 343 N GLU A 22 8.823 4.289 -22.669 1.00 0.00 N ATOM 344 CA GLU A 22 10.099 3.944 -22.052 1.00 0.00 C ATOM 345 C GLU A 22 10.288 4.693 -20.737 1.00 0.00 C ATOM 346 O GLU A 22 9.617 5.692 -20.476 1.00 0.00 O ATOM 347 CB GLU A 22 11.253 4.262 -23.005 1.00 0.00 C ATOM 348 CG GLU A 22 12.397 3.265 -22.929 1.00 0.00 C ATOM 349 CD GLU A 22 12.121 2.000 -23.719 1.00 0.00 C ATOM 350 OE1 GLU A 22 10.947 1.765 -24.074 1.00 0.00 O ATOM 351 OE2 GLU A 22 13.080 1.245 -23.983 1.00 0.00 O ATOM 0 H GLU A 22 8.875 5.046 -23.351 1.00 0.00 H new ATOM 0 HA GLU A 22 10.095 2.874 -21.842 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.873 4.289 -24.026 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.635 5.258 -22.781 1.00 0.00 H new ATOM 0 HG2 GLU A 22 13.307 3.732 -23.305 1.00 0.00 H new ATOM 0 HG3 GLU A 22 12.579 3.005 -21.886 1.00 0.00 H new ATOM 358 N VAL A 23 11.207 4.203 -19.911 1.00 0.00 N ATOM 359 CA VAL A 23 11.486 4.826 -18.622 1.00 0.00 C ATOM 360 C VAL A 23 12.936 5.291 -18.539 1.00 0.00 C ATOM 361 O VAL A 23 13.703 5.142 -19.490 1.00 0.00 O ATOM 362 CB VAL A 23 11.201 3.859 -17.458 1.00 0.00 C ATOM 363 CG1 VAL A 23 9.704 3.744 -17.214 1.00 0.00 C ATOM 364 CG2 VAL A 23 11.810 2.494 -17.738 1.00 0.00 C ATOM 0 H VAL A 23 11.771 3.377 -20.111 1.00 0.00 H new ATOM 0 HA VAL A 23 10.825 5.689 -18.538 1.00 0.00 H new ATOM 0 HB VAL A 23 11.663 4.259 -16.555 1.00 0.00 H new ATOM 0 HG11 VAL A 23 9.522 3.057 -16.388 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.299 4.725 -16.966 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.217 3.368 -18.113 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.599 1.824 -16.905 1.00 0.00 H new ATOM 0 HG22 VAL A 23 11.380 2.084 -18.652 1.00 0.00 H new ATOM 0 HG23 VAL A 23 12.889 2.595 -17.858 1.00 0.00 H new ATOM 374 N THR A 24 13.306 5.855 -17.393 1.00 0.00 N ATOM 375 CA THR A 24 14.663 6.343 -17.185 1.00 0.00 C ATOM 376 C THR A 24 15.090 6.176 -15.731 1.00 0.00 C ATOM 377 O THR A 24 14.270 5.875 -14.864 1.00 0.00 O ATOM 378 CB THR A 24 14.794 7.826 -17.580 1.00 0.00 C ATOM 379 OG1 THR A 24 16.154 8.126 -17.912 1.00 0.00 O ATOM 380 CG2 THR A 24 14.331 8.730 -16.448 1.00 0.00 C ATOM 0 H THR A 24 12.684 5.985 -16.595 1.00 0.00 H new ATOM 0 HA THR A 24 15.315 5.746 -17.823 1.00 0.00 H new ATOM 0 HB THR A 24 14.161 8.006 -18.449 1.00 0.00 H new ATOM 0 HG1 THR A 24 16.383 9.019 -17.578 1.00 0.00 H new ATOM 0 HG21 THR A 24 14.433 9.772 -16.750 1.00 0.00 H new ATOM 0 HG22 THR A 24 13.287 8.519 -16.218 1.00 0.00 H new ATOM 0 HG23 THR A 24 14.941 8.547 -15.564 1.00 0.00 H new ATOM 388 N MET A 25 16.378 6.376 -15.471 1.00 0.00 N ATOM 389 CA MET A 25 16.913 6.250 -14.120 1.00 0.00 C ATOM 390 C MET A 25 18.296 6.886 -14.021 1.00 0.00 C ATOM 391 O MET A 25 18.907 7.229 -15.034 1.00 0.00 O ATOM 392 CB MET A 25 16.987 4.777 -13.713 1.00 0.00 C ATOM 393 CG MET A 25 18.311 4.116 -14.061 1.00 0.00 C ATOM 394 SD MET A 25 18.666 4.159 -15.828 1.00 0.00 S ATOM 395 CE MET A 25 17.613 2.835 -16.418 1.00 0.00 C ATOM 0 H MET A 25 17.070 6.626 -16.177 1.00 0.00 H new ATOM 0 HA MET A 25 16.241 6.775 -13.440 1.00 0.00 H new ATOM 0 HB2 MET A 25 16.822 4.697 -12.639 1.00 0.00 H new ATOM 0 HB3 MET A 25 16.179 4.233 -14.202 1.00 0.00 H new ATOM 0 HG2 MET A 25 19.115 4.616 -13.521 1.00 0.00 H new ATOM 0 HG3 MET A 25 18.295 3.080 -13.723 1.00 0.00 H new ATOM 0 HE1 MET A 25 18.215 2.106 -16.961 1.00 0.00 H new ATOM 0 HE2 MET A 25 17.131 2.348 -15.570 1.00 0.00 H new ATOM 0 HE3 MET A 25 16.852 3.244 -17.083 1.00 0.00 H new ATOM 405 N LYS A 26 18.784 7.042 -12.795 1.00 0.00 N ATOM 406 CA LYS A 26 20.095 7.637 -12.563 1.00 0.00 C ATOM 407 C LYS A 26 20.965 6.720 -11.709 1.00 0.00 C ATOM 408 O LYS A 26 20.459 5.846 -11.005 1.00 0.00 O ATOM 409 CB LYS A 26 19.946 8.998 -11.880 1.00 0.00 C ATOM 410 CG LYS A 26 19.475 10.099 -12.815 1.00 0.00 C ATOM 411 CD LYS A 26 17.959 10.173 -12.870 1.00 0.00 C ATOM 412 CE LYS A 26 17.408 11.115 -11.810 1.00 0.00 C ATOM 413 NZ LYS A 26 17.145 10.411 -10.525 1.00 0.00 N ATOM 0 H LYS A 26 18.291 6.764 -11.946 1.00 0.00 H new ATOM 0 HA LYS A 26 20.581 7.773 -13.529 1.00 0.00 H new ATOM 0 HB2 LYS A 26 19.239 8.906 -11.055 1.00 0.00 H new ATOM 0 HB3 LYS A 26 20.905 9.285 -11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 26 19.875 11.057 -12.482 1.00 0.00 H new ATOM 0 HG3 LYS A 26 19.868 9.920 -13.816 1.00 0.00 H new ATOM 0 HD2 LYS A 26 17.646 10.512 -13.858 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.540 9.177 -12.727 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.116 11.926 -11.641 1.00 0.00 H new ATOM 0 HE3 LYS A 26 16.485 11.568 -12.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.210 10.686 -10.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 17.167 9.383 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.875 10.671 -9.831 1.00 0.00 H new ATOM 427 N LYS A 27 22.276 6.926 -11.775 1.00 0.00 N ATOM 428 CA LYS A 27 23.217 6.120 -11.006 1.00 0.00 C ATOM 429 C LYS A 27 22.829 6.090 -9.531 1.00 0.00 C ATOM 430 O LYS A 27 22.691 7.133 -8.894 1.00 0.00 O ATOM 431 CB LYS A 27 24.636 6.671 -11.160 1.00 0.00 C ATOM 432 CG LYS A 27 24.724 8.179 -11.001 1.00 0.00 C ATOM 433 CD LYS A 27 25.108 8.856 -12.306 1.00 0.00 C ATOM 434 CE LYS A 27 25.984 10.076 -12.064 1.00 0.00 C ATOM 435 NZ LYS A 27 27.425 9.714 -11.970 1.00 0.00 N ATOM 0 H LYS A 27 22.711 7.645 -12.353 1.00 0.00 H new ATOM 0 HA LYS A 27 23.185 5.101 -11.393 1.00 0.00 H new ATOM 0 HB2 LYS A 27 25.283 6.198 -10.421 1.00 0.00 H new ATOM 0 HB3 LYS A 27 25.019 6.395 -12.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 23.765 8.566 -10.658 1.00 0.00 H new ATOM 0 HG3 LYS A 27 25.459 8.423 -10.234 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.637 8.147 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 27 24.207 9.154 -12.841 1.00 0.00 H new ATOM 0 HE2 LYS A 27 25.841 10.792 -12.874 1.00 0.00 H new ATOM 0 HE3 LYS A 27 25.673 10.570 -11.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 27.989 10.572 -11.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 27.566 9.051 -11.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.729 9.266 -12.858 1.00 0.00 H new ATOM 449 N GLY A 28 22.654 4.886 -8.994 1.00 0.00 N ATOM 450 CA GLY A 28 22.285 4.743 -7.598 1.00 0.00 C ATOM 451 C GLY A 28 20.797 4.527 -7.411 1.00 0.00 C ATOM 452 O GLY A 28 20.332 4.286 -6.296 1.00 0.00 O ATOM 0 H GLY A 28 22.761 4.007 -9.501 1.00 0.00 H new ATOM 0 HA2 GLY A 28 22.828 3.902 -7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 28 22.591 5.635 -7.051 1.00 0.00 H new ATOM 456 N ASP A 29 20.046 4.614 -8.504 1.00 0.00 N ATOM 457 CA ASP A 29 18.601 4.426 -8.455 1.00 0.00 C ATOM 458 C ASP A 29 18.246 2.943 -8.403 1.00 0.00 C ATOM 459 O ASP A 29 19.069 2.087 -8.729 1.00 0.00 O ATOM 460 CB ASP A 29 17.939 5.079 -9.670 1.00 0.00 C ATOM 461 CG ASP A 29 17.947 6.593 -9.590 1.00 0.00 C ATOM 462 OD1 ASP A 29 18.823 7.145 -8.893 1.00 0.00 O ATOM 463 OD2 ASP A 29 17.075 7.225 -10.224 1.00 0.00 O ATOM 0 H ASP A 29 20.414 4.813 -9.434 1.00 0.00 H new ATOM 0 HA ASP A 29 18.229 4.902 -7.548 1.00 0.00 H new ATOM 0 HB2 ASP A 29 18.457 4.763 -10.576 1.00 0.00 H new ATOM 0 HB3 ASP A 29 16.910 4.728 -9.752 1.00 0.00 H new ATOM 468 N ILE A 30 17.019 2.648 -7.990 1.00 0.00 N ATOM 469 CA ILE A 30 16.556 1.269 -7.895 1.00 0.00 C ATOM 470 C ILE A 30 15.157 1.116 -8.482 1.00 0.00 C ATOM 471 O ILE A 30 14.225 1.815 -8.081 1.00 0.00 O ATOM 472 CB ILE A 30 16.546 0.778 -6.436 1.00 0.00 C ATOM 473 CG1 ILE A 30 17.897 1.051 -5.773 1.00 0.00 C ATOM 474 CG2 ILE A 30 16.211 -0.705 -6.378 1.00 0.00 C ATOM 475 CD1 ILE A 30 17.935 0.685 -4.305 1.00 0.00 C ATOM 0 H ILE A 30 16.327 3.345 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 30 17.256 0.661 -8.469 1.00 0.00 H new ATOM 0 HB ILE A 30 15.778 1.325 -5.890 1.00 0.00 H new ATOM 0 HG12 ILE A 30 18.670 0.491 -6.299 1.00 0.00 H new ATOM 0 HG13 ILE A 30 18.139 2.108 -5.882 1.00 0.00 H new ATOM 0 HG21 ILE A 30 16.208 -1.037 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 30 15.227 -0.873 -6.816 1.00 0.00 H new ATOM 0 HG23 ILE A 30 16.958 -1.269 -6.937 1.00 0.00 H new ATOM 0 HD11 ILE A 30 18.923 0.905 -3.901 1.00 0.00 H new ATOM 0 HD12 ILE A 30 17.185 1.264 -3.766 1.00 0.00 H new ATOM 0 HD13 ILE A 30 17.725 -0.378 -4.190 1.00 0.00 H new ATOM 487 N LEU A 31 15.016 0.198 -9.431 1.00 0.00 N ATOM 488 CA LEU A 31 13.729 -0.048 -10.072 1.00 0.00 C ATOM 489 C LEU A 31 13.344 -1.521 -9.972 1.00 0.00 C ATOM 490 O LEU A 31 14.184 -2.406 -10.136 1.00 0.00 O ATOM 491 CB LEU A 31 13.778 0.379 -11.540 1.00 0.00 C ATOM 492 CG LEU A 31 13.441 1.843 -11.825 1.00 0.00 C ATOM 493 CD1 LEU A 31 14.257 2.763 -10.929 1.00 0.00 C ATOM 494 CD2 LEU A 31 13.684 2.171 -13.291 1.00 0.00 C ATOM 0 H LEU A 31 15.777 -0.388 -9.774 1.00 0.00 H new ATOM 0 HA LEU A 31 12.974 0.542 -9.553 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.778 0.176 -11.923 1.00 0.00 H new ATOM 0 HB3 LEU A 31 13.087 -0.248 -12.103 1.00 0.00 H new ATOM 0 HG LEU A 31 12.385 2.001 -11.608 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.004 3.801 -11.146 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.033 2.546 -9.885 1.00 0.00 H new ATOM 0 HD13 LEU A 31 15.319 2.602 -11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.439 3.217 -13.475 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.732 1.996 -13.534 1.00 0.00 H new ATOM 0 HD23 LEU A 31 13.055 1.536 -13.915 1.00 0.00 H new ATOM 506 N THR A 32 12.067 -1.776 -9.704 1.00 0.00 N ATOM 507 CA THR A 32 11.570 -3.141 -9.583 1.00 0.00 C ATOM 508 C THR A 32 11.442 -3.803 -10.950 1.00 0.00 C ATOM 509 O THR A 32 10.746 -3.299 -11.833 1.00 0.00 O ATOM 510 CB THR A 32 10.201 -3.179 -8.877 1.00 0.00 C ATOM 511 OG1 THR A 32 10.160 -2.198 -7.835 1.00 0.00 O ATOM 512 CG2 THR A 32 9.932 -4.558 -8.293 1.00 0.00 C ATOM 0 H THR A 32 11.358 -1.055 -9.567 1.00 0.00 H new ATOM 0 HA THR A 32 12.296 -3.690 -8.983 1.00 0.00 H new ATOM 0 HB THR A 32 9.430 -2.957 -9.615 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.274 -2.638 -6.967 1.00 0.00 H new ATOM 0 HG21 THR A 32 8.960 -4.561 -7.800 1.00 0.00 H new ATOM 0 HG22 THR A 32 9.935 -5.299 -9.093 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.708 -4.804 -7.568 1.00 0.00 H new ATOM 520 N LEU A 33 12.118 -4.934 -11.120 1.00 0.00 N ATOM 521 CA LEU A 33 12.079 -5.666 -12.381 1.00 0.00 C ATOM 522 C LEU A 33 10.740 -6.375 -12.558 1.00 0.00 C ATOM 523 O LEU A 33 10.247 -7.032 -11.641 1.00 0.00 O ATOM 524 CB LEU A 33 13.220 -6.684 -12.437 1.00 0.00 C ATOM 525 CG LEU A 33 13.644 -7.140 -13.834 1.00 0.00 C ATOM 526 CD1 LEU A 33 12.545 -7.967 -14.482 1.00 0.00 C ATOM 527 CD2 LEU A 33 13.995 -5.941 -14.702 1.00 0.00 C ATOM 0 H LEU A 33 12.700 -5.364 -10.401 1.00 0.00 H new ATOM 0 HA LEU A 33 12.199 -4.949 -13.193 1.00 0.00 H new ATOM 0 HB2 LEU A 33 14.088 -6.254 -11.938 1.00 0.00 H new ATOM 0 HB3 LEU A 33 12.925 -7.563 -11.864 1.00 0.00 H new ATOM 0 HG LEU A 33 14.531 -7.766 -13.738 1.00 0.00 H new ATOM 0 HD11 LEU A 33 12.865 -8.282 -15.475 1.00 0.00 H new ATOM 0 HD12 LEU A 33 12.342 -8.846 -13.870 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.639 -7.366 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.294 -6.284 -15.692 1.00 0.00 H new ATOM 0 HD22 LEU A 33 13.126 -5.289 -14.791 1.00 0.00 H new ATOM 0 HD23 LEU A 33 14.817 -5.389 -14.245 1.00 0.00 H new ATOM 539 N LEU A 34 10.158 -6.239 -13.745 1.00 0.00 N ATOM 540 CA LEU A 34 8.876 -6.868 -14.044 1.00 0.00 C ATOM 541 C LEU A 34 9.061 -8.065 -14.972 1.00 0.00 C ATOM 542 O LEU A 34 8.552 -9.153 -14.707 1.00 0.00 O ATOM 543 CB LEU A 34 7.925 -5.855 -14.683 1.00 0.00 C ATOM 544 CG LEU A 34 7.012 -5.093 -13.721 1.00 0.00 C ATOM 545 CD1 LEU A 34 6.127 -6.058 -12.948 1.00 0.00 C ATOM 546 CD2 LEU A 34 7.835 -4.240 -12.767 1.00 0.00 C ATOM 0 H LEU A 34 10.553 -5.699 -14.515 1.00 0.00 H new ATOM 0 HA LEU A 34 8.445 -7.221 -13.107 1.00 0.00 H new ATOM 0 HB2 LEU A 34 8.519 -5.130 -15.240 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.301 -6.379 -15.407 1.00 0.00 H new ATOM 0 HG LEU A 34 6.371 -4.433 -14.305 1.00 0.00 H new ATOM 0 HD11 LEU A 34 5.484 -5.498 -12.269 1.00 0.00 H new ATOM 0 HD12 LEU A 34 5.511 -6.625 -13.646 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.751 -6.744 -12.375 1.00 0.00 H new ATOM 0 HD21 LEU A 34 7.169 -3.705 -12.090 1.00 0.00 H new ATOM 0 HD22 LEU A 34 8.502 -4.880 -12.189 1.00 0.00 H new ATOM 0 HD23 LEU A 34 8.425 -3.523 -13.337 1.00 0.00 H new ATOM 558 N ASN A 35 9.794 -7.855 -16.061 1.00 0.00 N ATOM 559 CA ASN A 35 10.048 -8.917 -17.027 1.00 0.00 C ATOM 560 C ASN A 35 11.462 -8.814 -17.590 1.00 0.00 C ATOM 561 O ASN A 35 11.815 -7.824 -18.231 1.00 0.00 O ATOM 562 CB ASN A 35 9.028 -8.853 -18.166 1.00 0.00 C ATOM 563 CG ASN A 35 8.113 -10.063 -18.192 1.00 0.00 C ATOM 564 OD1 ASN A 35 7.323 -10.277 -17.273 1.00 0.00 O ATOM 565 ND2 ASN A 35 8.218 -10.861 -19.248 1.00 0.00 N ATOM 0 H ASN A 35 10.222 -6.960 -16.296 1.00 0.00 H new ATOM 0 HA ASN A 35 9.950 -9.873 -16.513 1.00 0.00 H new ATOM 0 HB2 ASN A 35 8.428 -7.949 -18.062 1.00 0.00 H new ATOM 0 HB3 ASN A 35 9.554 -8.778 -19.118 1.00 0.00 H new ATOM 0 HD21 ASN A 35 7.629 -11.691 -19.321 1.00 0.00 H new ATOM 0 HD22 ASN A 35 8.887 -10.644 -19.987 1.00 0.00 H new ATOM 572 N SER A 36 12.267 -9.843 -17.346 1.00 0.00 N ATOM 573 CA SER A 36 13.644 -9.868 -17.826 1.00 0.00 C ATOM 574 C SER A 36 13.875 -11.057 -18.753 1.00 0.00 C ATOM 575 O SER A 36 14.887 -11.752 -18.652 1.00 0.00 O ATOM 576 CB SER A 36 14.616 -9.930 -16.646 1.00 0.00 C ATOM 577 OG SER A 36 14.180 -10.866 -15.675 1.00 0.00 O ATOM 0 H SER A 36 11.989 -10.671 -16.819 1.00 0.00 H new ATOM 0 HA SER A 36 13.824 -8.952 -18.388 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.608 -10.206 -17.002 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.704 -8.943 -16.191 1.00 0.00 H new ATOM 0 HG SER A 36 14.819 -10.888 -14.932 1.00 0.00 H new ATOM 583 N THR A 37 12.929 -11.285 -19.659 1.00 0.00 N ATOM 584 CA THR A 37 13.027 -12.390 -20.605 1.00 0.00 C ATOM 585 C THR A 37 14.089 -12.114 -21.663 1.00 0.00 C ATOM 586 O THR A 37 14.675 -13.040 -22.223 1.00 0.00 O ATOM 587 CB THR A 37 11.680 -12.654 -21.302 1.00 0.00 C ATOM 588 OG1 THR A 37 11.816 -13.726 -22.242 1.00 0.00 O ATOM 589 CG2 THR A 37 11.187 -11.405 -22.018 1.00 0.00 C ATOM 0 H THR A 37 12.086 -10.719 -19.758 1.00 0.00 H new ATOM 0 HA THR A 37 13.309 -13.273 -20.032 1.00 0.00 H new ATOM 0 HB THR A 37 10.950 -12.929 -20.541 1.00 0.00 H new ATOM 0 HG1 THR A 37 10.954 -13.888 -22.680 1.00 0.00 H new ATOM 0 HG21 THR A 37 10.234 -11.616 -22.503 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.056 -10.599 -21.296 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.917 -11.104 -22.769 1.00 0.00 H new ATOM 597 N ASN A 38 14.332 -10.836 -21.933 1.00 0.00 N ATOM 598 CA ASN A 38 15.324 -10.439 -22.925 1.00 0.00 C ATOM 599 C ASN A 38 16.729 -10.468 -22.331 1.00 0.00 C ATOM 600 O ASN A 38 16.900 -10.520 -21.113 1.00 0.00 O ATOM 601 CB ASN A 38 15.012 -9.039 -23.457 1.00 0.00 C ATOM 602 CG ASN A 38 15.456 -8.854 -24.895 1.00 0.00 C ATOM 603 OD1 ASN A 38 16.267 -7.979 -25.199 1.00 0.00 O ATOM 604 ND2 ASN A 38 14.925 -9.681 -25.789 1.00 0.00 N ATOM 0 H ASN A 38 13.855 -10.057 -21.478 1.00 0.00 H new ATOM 0 HA ASN A 38 15.282 -11.151 -23.749 1.00 0.00 H new ATOM 0 HB2 ASN A 38 13.940 -8.856 -23.384 1.00 0.00 H new ATOM 0 HB3 ASN A 38 15.505 -8.297 -22.829 1.00 0.00 H new ATOM 0 HD21 ASN A 38 15.186 -9.605 -26.772 1.00 0.00 H new ATOM 0 HD22 ASN A 38 14.256 -10.392 -25.492 1.00 0.00 H new ATOM 611 N LYS A 39 17.734 -10.433 -23.200 1.00 0.00 N ATOM 612 CA LYS A 39 19.125 -10.453 -22.764 1.00 0.00 C ATOM 613 C LYS A 39 19.809 -9.124 -23.065 1.00 0.00 C ATOM 614 O LYS A 39 21.034 -9.053 -23.162 1.00 0.00 O ATOM 615 CB LYS A 39 19.880 -11.594 -23.450 1.00 0.00 C ATOM 616 CG LYS A 39 19.633 -11.673 -24.947 1.00 0.00 C ATOM 617 CD LYS A 39 18.521 -12.655 -25.277 1.00 0.00 C ATOM 618 CE LYS A 39 19.033 -14.087 -25.305 1.00 0.00 C ATOM 619 NZ LYS A 39 18.137 -14.981 -26.091 1.00 0.00 N ATOM 0 H LYS A 39 17.610 -10.391 -24.212 1.00 0.00 H new ATOM 0 HA LYS A 39 19.139 -10.613 -21.686 1.00 0.00 H new ATOM 0 HB2 LYS A 39 20.948 -11.470 -23.272 1.00 0.00 H new ATOM 0 HB3 LYS A 39 19.588 -12.539 -22.992 1.00 0.00 H new ATOM 0 HG2 LYS A 39 19.372 -10.685 -25.326 1.00 0.00 H new ATOM 0 HG3 LYS A 39 20.550 -11.976 -25.453 1.00 0.00 H new ATOM 0 HD2 LYS A 39 17.725 -12.566 -24.538 1.00 0.00 H new ATOM 0 HD3 LYS A 39 18.087 -12.403 -26.245 1.00 0.00 H new ATOM 0 HE2 LYS A 39 20.034 -14.106 -25.736 1.00 0.00 H new ATOM 0 HE3 LYS A 39 19.117 -14.463 -24.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 18.520 -15.948 -26.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 17.188 -14.983 -25.666 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 18.076 -14.638 -27.071 1.00 0.00 H new ATOM 633 N ASP A 40 19.010 -8.072 -23.210 1.00 0.00 N ATOM 634 CA ASP A 40 19.539 -6.744 -23.497 1.00 0.00 C ATOM 635 C ASP A 40 18.757 -5.672 -22.744 1.00 0.00 C ATOM 636 O ASP A 40 19.327 -4.900 -21.974 1.00 0.00 O ATOM 637 CB ASP A 40 19.491 -6.466 -25.001 1.00 0.00 C ATOM 638 CG ASP A 40 20.533 -7.254 -25.769 1.00 0.00 C ATOM 639 OD1 ASP A 40 21.731 -6.922 -25.654 1.00 0.00 O ATOM 640 OD2 ASP A 40 20.151 -8.204 -26.485 1.00 0.00 O ATOM 0 H ASP A 40 17.994 -8.114 -23.133 1.00 0.00 H new ATOM 0 HA ASP A 40 20.576 -6.714 -23.163 1.00 0.00 H new ATOM 0 HB2 ASP A 40 18.500 -6.713 -25.382 1.00 0.00 H new ATOM 0 HB3 ASP A 40 19.644 -5.401 -25.176 1.00 0.00 H new ATOM 645 N TRP A 41 17.449 -5.632 -22.973 1.00 0.00 N ATOM 646 CA TRP A 41 16.589 -4.655 -22.316 1.00 0.00 C ATOM 647 C TRP A 41 15.543 -5.346 -21.448 1.00 0.00 C ATOM 648 O TRP A 41 14.903 -6.305 -21.877 1.00 0.00 O ATOM 649 CB TRP A 41 15.901 -3.769 -23.357 1.00 0.00 C ATOM 650 CG TRP A 41 16.859 -3.111 -24.303 1.00 0.00 C ATOM 651 CD1 TRP A 41 17.534 -3.704 -25.331 1.00 0.00 C ATOM 652 CD2 TRP A 41 17.250 -1.733 -24.305 1.00 0.00 C ATOM 653 NE1 TRP A 41 18.321 -2.778 -25.973 1.00 0.00 N ATOM 654 CE2 TRP A 41 18.164 -1.562 -25.363 1.00 0.00 C ATOM 655 CE3 TRP A 41 16.916 -0.628 -23.518 1.00 0.00 C ATOM 656 CZ2 TRP A 41 18.746 -0.330 -25.651 1.00 0.00 C ATOM 657 CZ3 TRP A 41 17.495 0.593 -23.805 1.00 0.00 C ATOM 658 CH2 TRP A 41 18.401 0.735 -24.864 1.00 0.00 C ATOM 0 H TRP A 41 16.962 -6.264 -23.608 1.00 0.00 H new ATOM 0 HA TRP A 41 17.213 -4.033 -21.674 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.195 -4.372 -23.927 1.00 0.00 H new ATOM 0 HB3 TRP A 41 15.322 -3.001 -22.844 1.00 0.00 H new ATOM 0 HD1 TRP A 41 17.460 -4.747 -25.600 1.00 0.00 H new ATOM 0 HE1 TRP A 41 18.924 -2.966 -26.774 1.00 0.00 H new ATOM 0 HE3 TRP A 41 16.218 -0.727 -22.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.445 -0.219 -26.467 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 17.245 1.453 -23.202 1.00 0.00 H new ATOM 0 HH2 TRP A 41 18.835 1.703 -25.063 1.00 0.00 H new ATOM 669 N TRP A 42 15.376 -4.853 -20.226 1.00 0.00 N ATOM 670 CA TRP A 42 14.407 -5.424 -19.298 1.00 0.00 C ATOM 671 C TRP A 42 13.290 -4.431 -18.998 1.00 0.00 C ATOM 672 O TRP A 42 13.472 -3.219 -19.121 1.00 0.00 O ATOM 673 CB TRP A 42 15.098 -5.841 -17.999 1.00 0.00 C ATOM 674 CG TRP A 42 16.329 -6.667 -18.220 1.00 0.00 C ATOM 675 CD1 TRP A 42 16.536 -7.579 -19.215 1.00 0.00 C ATOM 676 CD2 TRP A 42 17.522 -6.656 -17.428 1.00 0.00 C ATOM 677 NE1 TRP A 42 17.786 -8.137 -19.089 1.00 0.00 N ATOM 678 CE2 TRP A 42 18.411 -7.587 -18.001 1.00 0.00 C ATOM 679 CE3 TRP A 42 17.926 -5.950 -16.292 1.00 0.00 C ATOM 680 CZ2 TRP A 42 19.677 -7.828 -17.474 1.00 0.00 C ATOM 681 CZ3 TRP A 42 19.183 -6.191 -15.770 1.00 0.00 C ATOM 682 CH2 TRP A 42 20.046 -7.123 -16.361 1.00 0.00 C ATOM 0 H TRP A 42 15.899 -4.060 -19.855 1.00 0.00 H new ATOM 0 HA TRP A 42 13.968 -6.305 -19.767 1.00 0.00 H new ATOM 0 HB2 TRP A 42 15.365 -4.947 -17.435 1.00 0.00 H new ATOM 0 HB3 TRP A 42 14.395 -6.406 -17.387 1.00 0.00 H new ATOM 0 HD1 TRP A 42 15.823 -7.826 -19.987 1.00 0.00 H new ATOM 0 HE1 TRP A 42 18.184 -8.846 -19.706 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.268 -5.229 -15.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 20.344 -8.546 -17.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 19.505 -5.652 -14.892 1.00 0.00 H new ATOM 0 HH2 TRP A 42 21.022 -7.288 -15.929 1.00 0.00 H new ATOM 693 N LYS A 43 12.132 -4.950 -18.602 1.00 0.00 N ATOM 694 CA LYS A 43 10.985 -4.109 -18.282 1.00 0.00 C ATOM 695 C LYS A 43 10.883 -3.878 -16.778 1.00 0.00 C ATOM 696 O LYS A 43 10.684 -4.817 -16.007 1.00 0.00 O ATOM 697 CB LYS A 43 9.696 -4.752 -18.799 1.00 0.00 C ATOM 698 CG LYS A 43 8.436 -4.022 -18.365 1.00 0.00 C ATOM 699 CD LYS A 43 7.659 -3.494 -19.559 1.00 0.00 C ATOM 700 CE LYS A 43 6.690 -4.535 -20.097 1.00 0.00 C ATOM 701 NZ LYS A 43 5.718 -3.944 -21.058 1.00 0.00 N ATOM 0 H LYS A 43 11.964 -5.950 -18.495 1.00 0.00 H new ATOM 0 HA LYS A 43 11.124 -3.145 -18.771 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.729 -4.787 -19.888 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.648 -5.783 -18.448 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.804 -4.697 -17.788 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.702 -3.194 -17.708 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.109 -2.599 -19.270 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.354 -3.201 -20.346 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.249 -5.331 -20.589 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.149 -4.991 -19.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.013 -4.661 -21.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.239 -3.135 -20.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.223 -3.623 -21.909 1.00 0.00 H new ATOM 715 N VAL A 44 11.018 -2.621 -16.366 1.00 0.00 N ATOM 716 CA VAL A 44 10.938 -2.266 -14.954 1.00 0.00 C ATOM 717 C VAL A 44 9.770 -1.322 -14.690 1.00 0.00 C ATOM 718 O VAL A 44 9.250 -0.691 -15.610 1.00 0.00 O ATOM 719 CB VAL A 44 12.240 -1.603 -14.468 1.00 0.00 C ATOM 720 CG1 VAL A 44 13.416 -2.556 -14.624 1.00 0.00 C ATOM 721 CG2 VAL A 44 12.491 -0.306 -15.221 1.00 0.00 C ATOM 0 H VAL A 44 11.183 -1.832 -16.990 1.00 0.00 H new ATOM 0 HA VAL A 44 10.783 -3.193 -14.402 1.00 0.00 H new ATOM 0 HB VAL A 44 12.133 -1.367 -13.409 1.00 0.00 H new ATOM 0 HG11 VAL A 44 14.327 -2.070 -14.275 1.00 0.00 H new ATOM 0 HG12 VAL A 44 13.236 -3.455 -14.035 1.00 0.00 H new ATOM 0 HG13 VAL A 44 13.528 -2.827 -15.674 1.00 0.00 H new ATOM 0 HG21 VAL A 44 13.415 0.149 -14.864 1.00 0.00 H new ATOM 0 HG22 VAL A 44 12.577 -0.515 -16.287 1.00 0.00 H new ATOM 0 HG23 VAL A 44 11.661 0.380 -15.052 1.00 0.00 H new ATOM 731 N GLU A 45 9.364 -1.230 -13.428 1.00 0.00 N ATOM 732 CA GLU A 45 8.257 -0.362 -13.043 1.00 0.00 C ATOM 733 C GLU A 45 8.755 0.824 -12.223 1.00 0.00 C ATOM 734 O GLU A 45 9.329 0.653 -11.148 1.00 0.00 O ATOM 735 CB GLU A 45 7.218 -1.149 -12.242 1.00 0.00 C ATOM 736 CG GLU A 45 6.141 -0.277 -11.619 1.00 0.00 C ATOM 737 CD GLU A 45 4.863 -1.041 -11.335 1.00 0.00 C ATOM 738 OE1 GLU A 45 4.912 -2.002 -10.539 1.00 0.00 O ATOM 739 OE2 GLU A 45 3.814 -0.679 -11.908 1.00 0.00 O ATOM 0 H GLU A 45 9.785 -1.745 -12.655 1.00 0.00 H new ATOM 0 HA GLU A 45 7.793 0.017 -13.953 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.746 -1.882 -12.896 1.00 0.00 H new ATOM 0 HB3 GLU A 45 7.725 -1.705 -11.453 1.00 0.00 H new ATOM 0 HG2 GLU A 45 6.518 0.151 -10.690 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.921 0.555 -12.287 1.00 0.00 H new ATOM 746 N VAL A 46 8.532 2.028 -12.740 1.00 0.00 N ATOM 747 CA VAL A 46 8.957 3.244 -12.057 1.00 0.00 C ATOM 748 C VAL A 46 7.778 3.934 -11.378 1.00 0.00 C ATOM 749 O VAL A 46 6.621 3.693 -11.723 1.00 0.00 O ATOM 750 CB VAL A 46 9.623 4.233 -13.032 1.00 0.00 C ATOM 751 CG1 VAL A 46 10.856 3.607 -13.666 1.00 0.00 C ATOM 752 CG2 VAL A 46 8.633 4.678 -14.098 1.00 0.00 C ATOM 0 H VAL A 46 8.059 2.187 -13.630 1.00 0.00 H new ATOM 0 HA VAL A 46 9.684 2.944 -11.302 1.00 0.00 H new ATOM 0 HB VAL A 46 9.938 5.113 -12.472 1.00 0.00 H new ATOM 0 HG11 VAL A 46 11.314 4.320 -14.352 1.00 0.00 H new ATOM 0 HG12 VAL A 46 11.571 3.342 -12.887 1.00 0.00 H new ATOM 0 HG13 VAL A 46 10.568 2.710 -14.214 1.00 0.00 H new ATOM 0 HG21 VAL A 46 9.120 5.376 -14.778 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.286 3.809 -14.657 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.783 5.168 -13.623 1.00 0.00 H new ATOM 762 N LYS A 47 8.080 4.794 -10.412 1.00 0.00 N ATOM 763 CA LYS A 47 7.047 5.521 -9.684 1.00 0.00 C ATOM 764 C LYS A 47 6.953 6.964 -10.170 1.00 0.00 C ATOM 765 O LYS A 47 7.965 7.594 -10.474 1.00 0.00 O ATOM 766 CB LYS A 47 7.338 5.496 -8.182 1.00 0.00 C ATOM 767 CG LYS A 47 6.670 4.343 -7.452 1.00 0.00 C ATOM 768 CD LYS A 47 5.288 4.727 -6.951 1.00 0.00 C ATOM 769 CE LYS A 47 4.810 3.783 -5.858 1.00 0.00 C ATOM 770 NZ LYS A 47 5.718 3.794 -4.679 1.00 0.00 N ATOM 0 H LYS A 47 9.033 5.005 -10.115 1.00 0.00 H new ATOM 0 HA LYS A 47 6.092 5.029 -9.871 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.416 5.436 -8.030 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.006 6.436 -7.740 1.00 0.00 H new ATOM 0 HG2 LYS A 47 6.591 3.485 -8.120 1.00 0.00 H new ATOM 0 HG3 LYS A 47 7.291 4.035 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 47 5.309 5.747 -6.569 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.582 4.712 -7.781 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.806 4.069 -5.545 1.00 0.00 H new ATOM 0 HE3 LYS A 47 4.744 2.770 -6.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.185 3.523 -3.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 6.494 3.118 -4.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.111 4.749 -4.552 1.00 0.00 H new ATOM 784 N ALA A 48 5.731 7.482 -10.240 1.00 0.00 N ATOM 785 CA ALA A 48 5.505 8.851 -10.685 1.00 0.00 C ATOM 786 C ALA A 48 4.497 9.561 -9.789 1.00 0.00 C ATOM 787 O ALA A 48 3.653 8.923 -9.158 1.00 0.00 O ATOM 788 CB ALA A 48 5.031 8.865 -12.131 1.00 0.00 C ATOM 0 H ALA A 48 4.882 6.973 -9.994 1.00 0.00 H new ATOM 0 HA ALA A 48 6.451 9.388 -10.619 1.00 0.00 H new ATOM 0 HB1 ALA A 48 4.866 9.894 -12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 48 5.788 8.405 -12.766 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.099 8.306 -12.214 1.00 0.00 H new ATOM 794 N THR A 49 4.589 10.886 -9.735 1.00 0.00 N ATOM 795 CA THR A 49 3.686 11.683 -8.914 1.00 0.00 C ATOM 796 C THR A 49 3.111 12.853 -9.705 1.00 0.00 C ATOM 797 O THR A 49 3.826 13.795 -10.045 1.00 0.00 O ATOM 798 CB THR A 49 4.398 12.226 -7.661 1.00 0.00 C ATOM 799 OG1 THR A 49 4.962 11.145 -6.910 1.00 0.00 O ATOM 800 CG2 THR A 49 3.431 13.009 -6.785 1.00 0.00 C ATOM 0 H THR A 49 5.281 11.430 -10.251 1.00 0.00 H new ATOM 0 HA THR A 49 2.875 11.023 -8.605 1.00 0.00 H new ATOM 0 HB THR A 49 5.194 12.896 -7.985 1.00 0.00 H new ATOM 0 HG1 THR A 49 5.414 11.499 -6.116 1.00 0.00 H new ATOM 0 HG21 THR A 49 3.957 13.382 -5.906 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.027 13.849 -7.350 1.00 0.00 H new ATOM 0 HG23 THR A 49 2.616 12.357 -6.470 1.00 0.00 H new ATOM 808 N ALA A 50 1.816 12.786 -9.994 1.00 0.00 N ATOM 809 CA ALA A 50 1.145 13.841 -10.742 1.00 0.00 C ATOM 810 C ALA A 50 -0.232 14.138 -10.158 1.00 0.00 C ATOM 811 O ALA A 50 -0.913 13.241 -9.663 1.00 0.00 O ATOM 812 CB ALA A 50 1.025 13.453 -12.209 1.00 0.00 C ATOM 0 H ALA A 50 1.211 12.012 -9.721 1.00 0.00 H new ATOM 0 HA ALA A 50 1.747 14.746 -10.664 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.522 14.250 -12.756 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.020 13.298 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 50 0.447 12.533 -12.296 1.00 0.00 H new ATOM 818 N ASN A 51 -0.635 15.403 -10.219 1.00 0.00 N ATOM 819 CA ASN A 51 -1.931 15.818 -9.694 1.00 0.00 C ATOM 820 C ASN A 51 -2.084 15.407 -8.233 1.00 0.00 C ATOM 821 O ASN A 51 -3.161 15.000 -7.801 1.00 0.00 O ATOM 822 CB ASN A 51 -3.061 15.209 -10.527 1.00 0.00 C ATOM 823 CG ASN A 51 -2.781 15.273 -12.016 1.00 0.00 C ATOM 824 OD1 ASN A 51 -3.004 16.300 -12.658 1.00 0.00 O ATOM 825 ND2 ASN A 51 -2.288 14.173 -12.573 1.00 0.00 N ATOM 0 H ASN A 51 -0.083 16.158 -10.626 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.988 16.905 -9.755 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.207 14.170 -10.232 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -3.991 15.735 -10.312 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -2.079 14.157 -13.571 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.119 13.344 -12.003 1.00 0.00 H new ATOM 832 N GLY A 52 -0.996 15.519 -7.476 1.00 0.00 N ATOM 833 CA GLY A 52 -1.030 15.156 -6.071 1.00 0.00 C ATOM 834 C GLY A 52 -1.320 13.684 -5.859 1.00 0.00 C ATOM 835 O GLY A 52 -1.727 13.273 -4.772 1.00 0.00 O ATOM 0 H GLY A 52 -0.093 15.854 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -0.073 15.404 -5.612 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.791 15.750 -5.564 1.00 0.00 H new ATOM 839 N LYS A 53 -1.112 12.886 -6.901 1.00 0.00 N ATOM 840 CA LYS A 53 -1.355 11.450 -6.826 1.00 0.00 C ATOM 841 C LYS A 53 -0.133 10.666 -7.294 1.00 0.00 C ATOM 842 O LYS A 53 0.621 11.126 -8.154 1.00 0.00 O ATOM 843 CB LYS A 53 -2.572 11.072 -7.674 1.00 0.00 C ATOM 844 CG LYS A 53 -3.337 9.874 -7.139 1.00 0.00 C ATOM 845 CD LYS A 53 -4.289 10.273 -6.024 1.00 0.00 C ATOM 846 CE LYS A 53 -5.496 11.024 -6.563 1.00 0.00 C ATOM 847 NZ LYS A 53 -6.607 11.071 -5.573 1.00 0.00 N ATOM 0 H LYS A 53 -0.776 13.210 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.552 11.195 -5.785 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.245 11.927 -7.730 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.243 10.858 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.899 9.409 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.634 9.128 -6.769 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.622 9.382 -5.492 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.763 10.898 -5.302 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.203 12.040 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -5.844 10.543 -7.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -7.411 11.591 -5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -6.904 10.102 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -6.283 11.552 -4.710 1.00 0.00 H new ATOM 861 N THR A 54 0.058 9.480 -6.725 1.00 0.00 N ATOM 862 CA THR A 54 1.188 8.633 -7.085 1.00 0.00 C ATOM 863 C THR A 54 0.745 7.469 -7.963 1.00 0.00 C ATOM 864 O THR A 54 -0.160 6.716 -7.603 1.00 0.00 O ATOM 865 CB THR A 54 1.894 8.077 -5.834 1.00 0.00 C ATOM 866 OG1 THR A 54 0.952 7.925 -4.766 1.00 0.00 O ATOM 867 CG2 THR A 54 3.022 8.999 -5.394 1.00 0.00 C ATOM 0 H THR A 54 -0.556 9.084 -6.013 1.00 0.00 H new ATOM 0 HA THR A 54 1.887 9.258 -7.641 1.00 0.00 H new ATOM 0 HB THR A 54 2.318 7.105 -6.086 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.409 7.569 -3.975 1.00 0.00 H new ATOM 0 HG21 THR A 54 3.506 8.586 -4.509 1.00 0.00 H new ATOM 0 HG22 THR A 54 3.753 9.089 -6.198 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.617 9.983 -5.160 1.00 0.00 H new ATOM 875 N TYR A 55 1.389 7.326 -9.117 1.00 0.00 N ATOM 876 CA TYR A 55 1.059 6.254 -10.048 1.00 0.00 C ATOM 877 C TYR A 55 2.324 5.597 -10.593 1.00 0.00 C ATOM 878 O TYR A 55 3.308 6.274 -10.890 1.00 0.00 O ATOM 879 CB TYR A 55 0.214 6.794 -11.203 1.00 0.00 C ATOM 880 CG TYR A 55 0.987 7.672 -12.160 1.00 0.00 C ATOM 881 CD1 TYR A 55 1.136 9.032 -11.921 1.00 0.00 C ATOM 882 CD2 TYR A 55 1.570 7.141 -13.304 1.00 0.00 C ATOM 883 CE1 TYR A 55 1.842 9.838 -12.793 1.00 0.00 C ATOM 884 CE2 TYR A 55 2.278 7.939 -14.182 1.00 0.00 C ATOM 885 CZ TYR A 55 2.411 9.287 -13.922 1.00 0.00 C ATOM 886 OH TYR A 55 3.115 10.086 -14.793 1.00 0.00 O ATOM 0 H TYR A 55 2.142 7.939 -9.429 1.00 0.00 H new ATOM 0 HA TYR A 55 0.484 5.502 -9.507 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.210 5.955 -11.755 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -0.622 7.363 -10.796 1.00 0.00 H new ATOM 0 HD1 TYR A 55 0.692 9.467 -11.038 1.00 0.00 H new ATOM 0 HD2 TYR A 55 1.468 6.086 -13.511 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.948 10.894 -12.592 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.725 7.510 -15.067 1.00 0.00 H new ATOM 0 HH TYR A 55 3.452 9.543 -15.536 1.00 0.00 H new ATOM 896 N GLU A 56 2.288 4.275 -10.722 1.00 0.00 N ATOM 897 CA GLU A 56 3.432 3.526 -11.231 1.00 0.00 C ATOM 898 C GLU A 56 3.240 3.175 -12.703 1.00 0.00 C ATOM 899 O GLU A 56 2.156 2.763 -13.118 1.00 0.00 O ATOM 900 CB GLU A 56 3.639 2.250 -10.413 1.00 0.00 C ATOM 901 CG GLU A 56 3.787 2.499 -8.922 1.00 0.00 C ATOM 902 CD GLU A 56 3.446 1.279 -8.089 1.00 0.00 C ATOM 903 OE1 GLU A 56 4.312 0.388 -7.958 1.00 0.00 O ATOM 904 OE2 GLU A 56 2.313 1.215 -7.568 1.00 0.00 O ATOM 0 H GLU A 56 1.480 3.700 -10.482 1.00 0.00 H new ATOM 0 HA GLU A 56 4.317 4.155 -11.138 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.794 1.581 -10.579 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.529 1.736 -10.777 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.811 2.805 -8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.140 3.326 -8.630 1.00 0.00 H new ATOM 911 N ARG A 57 4.300 3.341 -13.488 1.00 0.00 N ATOM 912 CA ARG A 57 4.248 3.043 -14.914 1.00 0.00 C ATOM 913 C ARG A 57 5.306 2.010 -15.292 1.00 0.00 C ATOM 914 O ARG A 57 6.387 1.972 -14.705 1.00 0.00 O ATOM 915 CB ARG A 57 4.453 4.320 -15.731 1.00 0.00 C ATOM 916 CG ARG A 57 5.738 5.059 -15.395 1.00 0.00 C ATOM 917 CD ARG A 57 5.625 6.544 -15.706 1.00 0.00 C ATOM 918 NE ARG A 57 5.809 6.820 -17.129 1.00 0.00 N ATOM 919 CZ ARG A 57 6.999 6.909 -17.711 1.00 0.00 C ATOM 920 NH1 ARG A 57 8.105 6.744 -16.998 1.00 0.00 N ATOM 921 NH2 ARG A 57 7.086 7.164 -19.011 1.00 0.00 N ATOM 0 H ARG A 57 5.205 3.680 -13.160 1.00 0.00 H new ATOM 0 HA ARG A 57 3.264 2.630 -15.138 1.00 0.00 H new ATOM 0 HB2 ARG A 57 4.456 4.066 -16.791 1.00 0.00 H new ATOM 0 HB3 ARG A 57 3.607 4.987 -15.566 1.00 0.00 H new ATOM 0 HG2 ARG A 57 5.971 4.924 -14.339 1.00 0.00 H new ATOM 0 HG3 ARG A 57 6.565 4.630 -15.961 1.00 0.00 H new ATOM 0 HD2 ARG A 57 4.647 6.907 -15.390 1.00 0.00 H new ATOM 0 HD3 ARG A 57 6.371 7.093 -15.131 1.00 0.00 H new ATOM 0 HE ARG A 57 4.978 6.951 -17.706 1.00 0.00 H new ATOM 0 HH11 ARG A 57 8.043 6.548 -15.999 1.00 0.00 H new ATOM 0 HH12 ARG A 57 9.017 6.813 -17.449 1.00 0.00 H new ATOM 0 HH21 ARG A 57 6.238 7.292 -19.564 1.00 0.00 H new ATOM 0 HH22 ARG A 57 8.001 7.232 -19.457 1.00 0.00 H new ATOM 935 N GLN A 58 4.985 1.175 -16.275 1.00 0.00 N ATOM 936 CA GLN A 58 5.907 0.141 -16.730 1.00 0.00 C ATOM 937 C GLN A 58 6.696 0.613 -17.947 1.00 0.00 C ATOM 938 O GLN A 58 6.132 1.176 -18.884 1.00 0.00 O ATOM 939 CB GLN A 58 5.144 -1.140 -17.067 1.00 0.00 C ATOM 940 CG GLN A 58 4.610 -1.870 -15.845 1.00 0.00 C ATOM 941 CD GLN A 58 3.516 -2.861 -16.189 1.00 0.00 C ATOM 942 OE1 GLN A 58 2.330 -2.535 -16.142 1.00 0.00 O ATOM 943 NE2 GLN A 58 3.909 -4.081 -16.537 1.00 0.00 N ATOM 0 H GLN A 58 4.094 1.194 -16.771 1.00 0.00 H new ATOM 0 HA GLN A 58 6.609 -0.065 -15.922 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.311 -0.894 -17.726 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.802 -1.810 -17.621 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.429 -2.395 -15.353 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.224 -1.142 -15.131 1.00 0.00 H new ATOM 0 HE21 GLN A 58 4.903 -4.309 -16.563 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.217 -4.790 -16.779 1.00 0.00 H new ATOM 952 N GLY A 59 8.005 0.378 -17.926 1.00 0.00 N ATOM 953 CA GLY A 59 8.849 0.785 -19.034 1.00 0.00 C ATOM 954 C GLY A 59 10.020 -0.154 -19.246 1.00 0.00 C ATOM 955 O GLY A 59 10.197 -1.116 -18.498 1.00 0.00 O ATOM 0 H GLY A 59 8.495 -0.087 -17.162 1.00 0.00 H new ATOM 0 HA2 GLY A 59 8.252 0.828 -19.945 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.223 1.792 -18.851 1.00 0.00 H new ATOM 959 N PHE A 60 10.820 0.122 -20.271 1.00 0.00 N ATOM 960 CA PHE A 60 11.978 -0.708 -20.582 1.00 0.00 C ATOM 961 C PHE A 60 13.276 0.057 -20.338 1.00 0.00 C ATOM 962 O PHE A 60 13.356 1.260 -20.584 1.00 0.00 O ATOM 963 CB PHE A 60 11.917 -1.181 -22.036 1.00 0.00 C ATOM 964 CG PHE A 60 10.699 -2.003 -22.348 1.00 0.00 C ATOM 965 CD1 PHE A 60 9.528 -1.396 -22.772 1.00 0.00 C ATOM 966 CD2 PHE A 60 10.725 -3.382 -22.217 1.00 0.00 C ATOM 967 CE1 PHE A 60 8.405 -2.150 -23.059 1.00 0.00 C ATOM 968 CE2 PHE A 60 9.605 -4.141 -22.503 1.00 0.00 C ATOM 969 CZ PHE A 60 8.445 -3.524 -22.926 1.00 0.00 C ATOM 0 H PHE A 60 10.688 0.914 -20.900 1.00 0.00 H new ATOM 0 HA PHE A 60 11.959 -1.577 -19.924 1.00 0.00 H new ATOM 0 HB2 PHE A 60 11.937 -0.312 -22.694 1.00 0.00 H new ATOM 0 HB3 PHE A 60 12.808 -1.768 -22.256 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.492 -0.322 -22.880 1.00 0.00 H new ATOM 0 HD2 PHE A 60 11.631 -3.870 -21.888 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.497 -1.665 -23.387 1.00 0.00 H new ATOM 0 HE2 PHE A 60 9.638 -5.215 -22.396 1.00 0.00 H new ATOM 0 HZ PHE A 60 7.570 -4.115 -23.153 1.00 0.00 H new ATOM 979 N VAL A 61 14.291 -0.652 -19.853 1.00 0.00 N ATOM 980 CA VAL A 61 15.585 -0.041 -19.576 1.00 0.00 C ATOM 981 C VAL A 61 16.727 -0.945 -20.028 1.00 0.00 C ATOM 982 O VAL A 61 16.614 -2.171 -20.040 1.00 0.00 O ATOM 983 CB VAL A 61 15.752 0.266 -18.076 1.00 0.00 C ATOM 984 CG1 VAL A 61 14.796 1.369 -17.648 1.00 0.00 C ATOM 985 CG2 VAL A 61 15.533 -0.991 -17.248 1.00 0.00 C ATOM 0 H VAL A 61 14.242 -1.649 -19.644 1.00 0.00 H new ATOM 0 HA VAL A 61 15.620 0.893 -20.136 1.00 0.00 H new ATOM 0 HB VAL A 61 16.771 0.614 -17.905 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.928 1.573 -16.585 1.00 0.00 H new ATOM 0 HG12 VAL A 61 15.005 2.273 -18.220 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.769 1.052 -17.832 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.655 -0.756 -16.191 1.00 0.00 H new ATOM 0 HG22 VAL A 61 14.526 -1.370 -17.422 1.00 0.00 H new ATOM 0 HG23 VAL A 61 16.261 -1.749 -17.537 1.00 0.00 H new ATOM 995 N PRO A 62 17.855 -0.328 -20.409 1.00 0.00 N ATOM 996 CA PRO A 62 19.040 -1.058 -20.869 1.00 0.00 C ATOM 997 C PRO A 62 19.724 -1.822 -19.740 1.00 0.00 C ATOM 998 O PRO A 62 20.063 -1.248 -18.706 1.00 0.00 O ATOM 999 CB PRO A 62 19.956 0.049 -21.396 1.00 0.00 C ATOM 1000 CG PRO A 62 19.539 1.272 -20.654 1.00 0.00 C ATOM 1001 CD PRO A 62 18.060 1.130 -20.421 1.00 0.00 C ATOM 0 HA PRO A 62 18.790 -1.814 -21.614 1.00 0.00 H new ATOM 0 HB2 PRO A 62 21.005 -0.186 -21.215 1.00 0.00 H new ATOM 0 HB3 PRO A 62 19.840 0.180 -22.472 1.00 0.00 H new ATOM 0 HG2 PRO A 62 20.076 1.358 -19.710 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.759 2.171 -21.229 1.00 0.00 H new ATOM 0 HD2 PRO A 62 17.756 1.586 -19.479 1.00 0.00 H new ATOM 0 HD3 PRO A 62 17.481 1.611 -21.210 1.00 0.00 H new ATOM 1009 N ALA A 63 19.923 -3.120 -19.946 1.00 0.00 N ATOM 1010 CA ALA A 63 20.568 -3.962 -18.946 1.00 0.00 C ATOM 1011 C ALA A 63 21.998 -3.503 -18.682 1.00 0.00 C ATOM 1012 O ALA A 63 22.617 -3.902 -17.696 1.00 0.00 O ATOM 1013 CB ALA A 63 20.553 -5.416 -19.392 1.00 0.00 C ATOM 0 H ALA A 63 19.647 -3.611 -20.796 1.00 0.00 H new ATOM 0 HA ALA A 63 20.008 -3.873 -18.015 1.00 0.00 H new ATOM 0 HB1 ALA A 63 21.038 -6.034 -18.636 1.00 0.00 H new ATOM 0 HB2 ALA A 63 19.522 -5.746 -19.523 1.00 0.00 H new ATOM 0 HB3 ALA A 63 21.088 -5.512 -20.337 1.00 0.00 H new ATOM 1019 N ALA A 64 22.518 -2.662 -19.570 1.00 0.00 N ATOM 1020 CA ALA A 64 23.875 -2.148 -19.432 1.00 0.00 C ATOM 1021 C ALA A 64 23.941 -1.048 -18.377 1.00 0.00 C ATOM 1022 O ALA A 64 24.989 -0.816 -17.774 1.00 0.00 O ATOM 1023 CB ALA A 64 24.382 -1.629 -20.770 1.00 0.00 C ATOM 0 H ALA A 64 22.020 -2.322 -20.393 1.00 0.00 H new ATOM 0 HA ALA A 64 24.516 -2.967 -19.106 1.00 0.00 H new ATOM 0 HB1 ALA A 64 25.396 -1.248 -20.652 1.00 0.00 H new ATOM 0 HB2 ALA A 64 24.381 -2.440 -21.499 1.00 0.00 H new ATOM 0 HB3 ALA A 64 23.732 -0.827 -21.119 1.00 0.00 H new ATOM 1029 N TYR A 65 22.817 -0.375 -18.161 1.00 0.00 N ATOM 1030 CA TYR A 65 22.748 0.702 -17.181 1.00 0.00 C ATOM 1031 C TYR A 65 21.994 0.255 -15.932 1.00 0.00 C ATOM 1032 O TYR A 65 21.895 0.996 -14.954 1.00 0.00 O ATOM 1033 CB TYR A 65 22.068 1.930 -17.788 1.00 0.00 C ATOM 1034 CG TYR A 65 22.760 2.455 -19.026 1.00 0.00 C ATOM 1035 CD1 TYR A 65 24.127 2.283 -19.207 1.00 0.00 C ATOM 1036 CD2 TYR A 65 22.048 3.124 -20.014 1.00 0.00 C ATOM 1037 CE1 TYR A 65 24.764 2.762 -20.335 1.00 0.00 C ATOM 1038 CE2 TYR A 65 22.676 3.604 -21.146 1.00 0.00 C ATOM 1039 CZ TYR A 65 24.034 3.421 -21.302 1.00 0.00 C ATOM 1040 OH TYR A 65 24.664 3.900 -22.428 1.00 0.00 O ATOM 0 H TYR A 65 21.941 -0.556 -18.651 1.00 0.00 H new ATOM 0 HA TYR A 65 23.767 0.963 -16.895 1.00 0.00 H new ATOM 0 HB2 TYR A 65 21.037 1.678 -18.037 1.00 0.00 H new ATOM 0 HB3 TYR A 65 22.031 2.721 -17.039 1.00 0.00 H new ATOM 0 HD1 TYR A 65 24.701 1.766 -18.453 1.00 0.00 H new ATOM 0 HD2 TYR A 65 20.985 3.271 -19.894 1.00 0.00 H new ATOM 0 HE1 TYR A 65 25.828 2.621 -20.459 1.00 0.00 H new ATOM 0 HE2 TYR A 65 22.107 4.120 -21.905 1.00 0.00 H new ATOM 0 HH TYR A 65 24.007 4.337 -23.009 1.00 0.00 H new ATOM 1050 N VAL A 66 21.464 -0.963 -15.973 1.00 0.00 N ATOM 1051 CA VAL A 66 20.720 -1.511 -14.845 1.00 0.00 C ATOM 1052 C VAL A 66 21.008 -2.998 -14.668 1.00 0.00 C ATOM 1053 O VAL A 66 21.004 -3.762 -15.633 1.00 0.00 O ATOM 1054 CB VAL A 66 19.203 -1.311 -15.023 1.00 0.00 C ATOM 1055 CG1 VAL A 66 18.876 0.164 -15.197 1.00 0.00 C ATOM 1056 CG2 VAL A 66 18.694 -2.121 -16.206 1.00 0.00 C ATOM 0 H VAL A 66 21.536 -1.589 -16.775 1.00 0.00 H new ATOM 0 HA VAL A 66 21.048 -0.971 -13.957 1.00 0.00 H new ATOM 0 HB VAL A 66 18.699 -1.667 -14.124 1.00 0.00 H new ATOM 0 HG11 VAL A 66 17.800 0.286 -15.321 1.00 0.00 H new ATOM 0 HG12 VAL A 66 19.204 0.716 -14.316 1.00 0.00 H new ATOM 0 HG13 VAL A 66 19.389 0.549 -16.078 1.00 0.00 H new ATOM 0 HG21 VAL A 66 17.621 -1.968 -16.317 1.00 0.00 H new ATOM 0 HG22 VAL A 66 19.203 -1.798 -17.114 1.00 0.00 H new ATOM 0 HG23 VAL A 66 18.894 -3.179 -16.036 1.00 0.00 H new ATOM 1066 N LYS A 67 21.257 -3.402 -13.427 1.00 0.00 N ATOM 1067 CA LYS A 67 21.545 -4.798 -13.120 1.00 0.00 C ATOM 1068 C LYS A 67 20.688 -5.289 -11.958 1.00 0.00 C ATOM 1069 O LYS A 67 20.385 -4.533 -11.034 1.00 0.00 O ATOM 1070 CB LYS A 67 23.028 -4.972 -12.783 1.00 0.00 C ATOM 1071 CG LYS A 67 23.383 -6.369 -12.305 1.00 0.00 C ATOM 1072 CD LYS A 67 23.153 -7.406 -13.392 1.00 0.00 C ATOM 1073 CE LYS A 67 24.265 -7.383 -14.429 1.00 0.00 C ATOM 1074 NZ LYS A 67 23.844 -8.020 -15.707 1.00 0.00 N ATOM 0 H LYS A 67 21.265 -2.782 -12.617 1.00 0.00 H new ATOM 0 HA LYS A 67 21.306 -5.394 -14.001 1.00 0.00 H new ATOM 0 HB2 LYS A 67 23.623 -4.737 -13.666 1.00 0.00 H new ATOM 0 HB3 LYS A 67 23.304 -4.252 -12.012 1.00 0.00 H new ATOM 0 HG2 LYS A 67 24.427 -6.393 -11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 67 22.783 -6.619 -11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 67 23.093 -8.398 -12.943 1.00 0.00 H new ATOM 0 HD3 LYS A 67 22.196 -7.218 -13.879 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.564 -6.352 -14.618 1.00 0.00 H new ATOM 0 HE3 LYS A 67 25.139 -7.901 -14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 24.629 -7.984 -16.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.583 -9.011 -15.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.025 -7.510 -16.096 1.00 0.00 H new ATOM 1088 N LYS A 68 20.300 -6.559 -12.009 1.00 0.00 N ATOM 1089 CA LYS A 68 19.480 -7.151 -10.959 1.00 0.00 C ATOM 1090 C LYS A 68 20.219 -7.150 -9.625 1.00 0.00 C ATOM 1091 O LYS A 68 21.446 -7.247 -9.583 1.00 0.00 O ATOM 1092 CB LYS A 68 19.089 -8.582 -11.336 1.00 0.00 C ATOM 1093 CG LYS A 68 17.978 -9.156 -10.473 1.00 0.00 C ATOM 1094 CD LYS A 68 17.681 -10.602 -10.836 1.00 0.00 C ATOM 1095 CE LYS A 68 18.881 -11.499 -10.579 1.00 0.00 C ATOM 1096 NZ LYS A 68 19.724 -11.662 -11.796 1.00 0.00 N ATOM 0 H LYS A 68 20.541 -7.198 -12.767 1.00 0.00 H new ATOM 0 HA LYS A 68 18.577 -6.549 -10.854 1.00 0.00 H new ATOM 0 HB2 LYS A 68 18.774 -8.601 -12.379 1.00 0.00 H new ATOM 0 HB3 LYS A 68 19.967 -9.223 -11.257 1.00 0.00 H new ATOM 0 HG2 LYS A 68 18.263 -9.095 -9.423 1.00 0.00 H new ATOM 0 HG3 LYS A 68 17.076 -8.557 -10.594 1.00 0.00 H new ATOM 0 HD2 LYS A 68 16.830 -10.956 -10.255 1.00 0.00 H new ATOM 0 HD3 LYS A 68 17.398 -10.664 -11.887 1.00 0.00 H new ATOM 0 HE2 LYS A 68 19.483 -11.078 -9.774 1.00 0.00 H new ATOM 0 HE3 LYS A 68 18.538 -12.477 -10.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 19.726 -12.661 -12.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 19.338 -11.079 -12.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 20.697 -11.360 -11.587 1.00 0.00 H new ATOM 1110 N LEU A 69 19.465 -7.040 -8.537 1.00 0.00 N ATOM 1111 CA LEU A 69 20.049 -7.028 -7.200 1.00 0.00 C ATOM 1112 C LEU A 69 19.613 -8.254 -6.404 1.00 0.00 C ATOM 1113 O LEU A 69 19.062 -8.133 -5.310 1.00 0.00 O ATOM 1114 CB LEU A 69 19.644 -5.754 -6.457 1.00 0.00 C ATOM 1115 CG LEU A 69 20.052 -4.435 -7.115 1.00 0.00 C ATOM 1116 CD1 LEU A 69 19.063 -3.334 -6.762 1.00 0.00 C ATOM 1117 CD2 LEU A 69 21.461 -4.043 -6.695 1.00 0.00 C ATOM 0 H LEU A 69 18.448 -6.958 -8.554 1.00 0.00 H new ATOM 0 HA LEU A 69 21.134 -7.052 -7.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 18.561 -5.757 -6.336 1.00 0.00 H new ATOM 0 HB3 LEU A 69 20.077 -5.787 -5.457 1.00 0.00 H new ATOM 0 HG LEU A 69 20.041 -4.572 -8.196 1.00 0.00 H new ATOM 0 HD11 LEU A 69 19.369 -2.403 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 69 18.069 -3.611 -7.113 1.00 0.00 H new ATOM 0 HD13 LEU A 69 19.041 -3.198 -5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 69 21.735 -3.102 -7.173 1.00 0.00 H new ATOM 0 HD22 LEU A 69 21.498 -3.924 -5.612 1.00 0.00 H new ATOM 0 HD23 LEU A 69 22.161 -4.821 -6.999 1.00 0.00 H new ATOM 1129 N ASP A 70 19.866 -9.434 -6.960 1.00 0.00 N ATOM 1130 CA ASP A 70 19.503 -10.683 -6.301 1.00 0.00 C ATOM 1131 C ASP A 70 20.499 -11.787 -6.642 1.00 0.00 C ATOM 1132 O ASP A 70 21.179 -11.728 -7.668 1.00 0.00 O ATOM 1133 CB ASP A 70 18.092 -11.109 -6.709 1.00 0.00 C ATOM 1134 CG ASP A 70 17.020 -10.244 -6.076 1.00 0.00 C ATOM 1135 OD1 ASP A 70 16.749 -9.148 -6.610 1.00 0.00 O ATOM 1136 OD2 ASP A 70 16.452 -10.662 -5.045 1.00 0.00 O ATOM 0 H ASP A 70 20.321 -9.552 -7.865 1.00 0.00 H new ATOM 0 HA ASP A 70 19.527 -10.517 -5.224 1.00 0.00 H new ATOM 0 HB2 ASP A 70 18.000 -11.060 -7.794 1.00 0.00 H new ATOM 0 HB3 ASP A 70 17.932 -12.148 -6.422 1.00 0.00 H new TER 1141 ASP A 70