USER MOD reduce.3.24.130724 H: found=0, std=0, add=367, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 369 hydrogens (12 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 NoAdj-H: A 50 CY1 H2 : A 50 CY1 N : A 49 LYS C :(H bumps) USER MOD Set 1.1: A 46 ASN : amide:sc= -0.129 K(o=1,f=-0.48) USER MOD Set 1.2: A 47 SER OG : rot 25:sc= 1.16 USER MOD Set 2.1: A 12 TYR OH : rot 143:sc= -1.02! USER MOD Set 2.2: A 31 THR OG1 : rot -15:sc= -0.452 USER MOD Single : A 1 LEU N :NH3+ -172:sc= -0.0758 (180deg=-0.153) USER MOD Single : A 2 GLN : amide:sc= -1.68 K(o=-1.7,f=-2.2) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -0.28 K(o=-0.28,f=-2.6!) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -2.39! C(o=-2.4!,f=-2.3!) USER MOD Single : A 15 SER OG : rot 9:sc= 0.364! USER MOD Single : A 18 HIS : no HE2:sc= 0.0375 K(o=0.037,f=-0.7) USER MOD Single : A 24 GLN : amide:sc= -0.0417 X(o=-0.042,f=0) USER MOD Single : A 28 SER OG : rot -65:sc= 1.2 USER MOD Single : A 29 SER OG : rot 180:sc= -0.125 USER MOD Single : A 30 ASN : amide:sc= -0.0472 X(o=-0.047,f=0) USER MOD Single : A 35 THR OG1 : rot -33:sc= 0.676 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.649! K(o=-0.65!,f=-1.3) USER MOD Single : A 43 SER OG : rot 156:sc= 1.4 USER MOD Single : A 45 THR OG1 : rot -123:sc= 0.576! USER MOD Single : A 49 LYS NZ :NH3+ 154:sc= -0.3 (180deg=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -9.033 -5.899 17.721 1.00 0.00 N ATOM 2 CA LEU A 1 -9.384 -6.220 16.312 1.00 0.00 C ATOM 3 C LEU A 1 -8.460 -5.501 15.333 1.00 0.00 C ATOM 4 O LEU A 1 -8.334 -5.905 14.176 1.00 0.00 O ATOM 5 CB LEU A 1 -10.839 -5.813 16.068 1.00 0.00 C ATOM 6 CG LEU A 1 -11.782 -6.966 15.718 1.00 0.00 C ATOM 7 CD1 LEU A 1 -13.230 -6.507 15.776 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.452 -7.523 14.341 1.00 0.00 C ATOM 0 H1 LEU A 1 -9.586 -6.503 18.363 1.00 0.00 H new ATOM 0 H2 LEU A 1 -8.018 -6.069 17.873 1.00 0.00 H new ATOM 0 H3 LEU A 1 -9.249 -4.900 17.914 1.00 0.00 H new ATOM 0 HA LEU A 1 -9.261 -7.290 16.147 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -11.216 -5.313 16.961 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -10.866 -5.083 15.259 1.00 0.00 H new ATOM 0 HG LEU A 1 -11.645 -7.760 16.452 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -13.886 -7.340 15.524 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -13.460 -6.155 16.782 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -13.383 -5.696 15.064 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -12.132 -8.342 14.107 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -11.562 -6.736 13.594 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -10.426 -7.890 14.333 1.00 0.00 H new ATOM 22 N GLN A 2 -7.812 -4.436 15.799 1.00 0.00 N ATOM 23 CA GLN A 2 -6.901 -3.672 14.955 1.00 0.00 C ATOM 24 C GLN A 2 -5.529 -4.330 14.901 1.00 0.00 C ATOM 25 O GLN A 2 -4.836 -4.412 15.913 1.00 0.00 O ATOM 26 CB GLN A 2 -6.768 -2.239 15.464 1.00 0.00 C ATOM 27 CG GLN A 2 -8.083 -1.476 15.499 1.00 0.00 C ATOM 28 CD GLN A 2 -8.987 -1.920 16.633 1.00 0.00 C ATOM 29 OE1 GLN A 2 -9.894 -2.729 16.439 1.00 0.00 O ATOM 30 NE2 GLN A 2 -8.742 -1.392 17.828 1.00 0.00 N ATOM 0 H GLN A 2 -7.901 -4.085 16.752 1.00 0.00 H new ATOM 0 HA GLN A 2 -7.318 -3.652 13.948 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -6.343 -2.258 16.467 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -6.064 -1.702 14.829 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -7.877 -0.410 15.600 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -8.603 -1.612 14.551 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -7.979 -0.725 17.944 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -9.317 -1.654 18.629 1.00 0.00 H new ATOM 39 N MET A 3 -5.164 -4.795 13.704 1.00 0.00 N ATOM 40 CA MET A 3 -3.886 -5.474 13.437 1.00 0.00 C ATOM 41 C MET A 3 -4.150 -6.909 13.031 1.00 0.00 C ATOM 42 O MET A 3 -4.598 -7.729 13.833 1.00 0.00 O ATOM 43 CB MET A 3 -2.906 -5.475 14.621 1.00 0.00 C ATOM 44 CG MET A 3 -2.049 -4.213 14.769 1.00 0.00 C ATOM 45 SD MET A 3 -2.902 -2.702 14.269 1.00 0.00 S ATOM 46 CE MET A 3 -1.512 -1.643 13.875 1.00 0.00 C ATOM 0 H MET A 3 -5.755 -4.711 12.877 1.00 0.00 H new ATOM 0 HA MET A 3 -3.412 -4.905 12.637 1.00 0.00 H new ATOM 0 HB2 MET A 3 -3.474 -5.617 15.540 1.00 0.00 H new ATOM 0 HB3 MET A 3 -2.243 -6.334 14.520 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.734 -4.117 15.808 1.00 0.00 H new ATOM 0 HG3 MET A 3 -1.144 -4.325 14.171 1.00 0.00 H new ATOM 0 HE1 MET A 3 -1.877 -0.669 13.549 1.00 0.00 H new ATOM 0 HE2 MET A 3 -0.887 -1.518 14.759 1.00 0.00 H new ATOM 0 HE3 MET A 3 -0.924 -2.096 13.077 1.00 0.00 H new ATOM 56 N ALA A 4 -3.864 -7.197 11.781 1.00 0.00 N ATOM 57 CA ALA A 4 -4.060 -8.534 11.234 1.00 0.00 C ATOM 58 C ALA A 4 -2.855 -9.419 11.531 1.00 0.00 C ATOM 59 O ALA A 4 -2.100 -9.781 10.628 1.00 0.00 O ATOM 60 CB ALA A 4 -4.311 -8.459 9.735 1.00 0.00 C ATOM 0 H ALA A 4 -3.491 -6.521 11.114 1.00 0.00 H new ATOM 0 HA ALA A 4 -4.934 -8.978 11.711 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.456 -9.464 9.340 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.203 -7.862 9.545 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -3.454 -7.996 9.245 1.00 0.00 H new ATOM 66 N GLY A 5 -2.673 -9.757 12.805 1.00 0.00 N ATOM 67 CA GLY A 5 -1.541 -10.598 13.193 1.00 0.00 C ATOM 68 C GLY A 5 -0.217 -10.016 12.737 1.00 0.00 C ATOM 69 O GLY A 5 0.730 -10.754 12.465 1.00 0.00 O ATOM 0 H GLY A 5 -3.280 -9.470 13.573 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -1.531 -10.715 14.277 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -1.666 -11.593 12.766 1.00 0.00 H new ATOM 73 N GLN A 6 -0.160 -8.687 12.644 1.00 0.00 N ATOM 74 CA GLN A 6 1.041 -7.985 12.207 1.00 0.00 C ATOM 75 C GLN A 6 1.091 -7.934 10.691 1.00 0.00 C ATOM 76 O GLN A 6 1.872 -8.640 10.054 1.00 0.00 O ATOM 77 CB GLN A 6 2.312 -8.633 12.771 1.00 0.00 C ATOM 78 CG GLN A 6 3.306 -7.629 13.332 1.00 0.00 C ATOM 79 CD GLN A 6 3.960 -8.110 14.613 1.00 0.00 C ATOM 80 OE1 GLN A 6 3.450 -9.005 15.286 1.00 0.00 O ATOM 81 NE2 GLN A 6 5.098 -7.515 14.956 1.00 0.00 N ATOM 0 H GLN A 6 -0.942 -8.072 12.869 1.00 0.00 H new ATOM 0 HA GLN A 6 0.997 -6.967 12.595 1.00 0.00 H new ATOM 0 HB2 GLN A 6 2.034 -9.335 13.557 1.00 0.00 H new ATOM 0 HB3 GLN A 6 2.796 -9.211 11.984 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.077 -7.431 12.587 1.00 0.00 H new ATOM 0 HG3 GLN A 6 2.796 -6.685 13.521 1.00 0.00 H new ATOM 0 HE21 GLN A 6 5.485 -6.777 14.368 1.00 0.00 H new ATOM 0 HE22 GLN A 6 5.584 -7.796 15.807 1.00 0.00 H new ATOM 90 N CYS A 7 0.220 -7.094 10.135 1.00 0.00 N ATOM 91 CA CYS A 7 0.098 -6.901 8.683 1.00 0.00 C ATOM 92 C CYS A 7 1.328 -7.377 7.926 1.00 0.00 C ATOM 93 O CYS A 7 2.456 -7.023 8.269 1.00 0.00 O ATOM 94 CB CYS A 7 -0.129 -5.422 8.365 1.00 0.00 C ATOM 95 SG CYS A 7 -1.512 -4.664 9.279 1.00 0.00 S ATOM 0 H CYS A 7 -0.427 -6.523 10.679 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.754 -7.500 8.360 1.00 0.00 H new ATOM 0 HB2 CYS A 7 0.784 -4.870 8.587 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -0.313 -5.316 7.296 1.00 0.00 H new ATOM 100 N SER A 8 1.104 -8.161 6.879 1.00 0.00 N ATOM 101 CA SER A 8 2.200 -8.653 6.062 1.00 0.00 C ATOM 102 C SER A 8 2.997 -7.476 5.526 1.00 0.00 C ATOM 103 O SER A 8 2.486 -6.363 5.432 1.00 0.00 O ATOM 104 CB SER A 8 1.672 -9.505 4.905 1.00 0.00 C ATOM 105 OG SER A 8 0.907 -10.597 5.385 1.00 0.00 O ATOM 0 H SER A 8 0.178 -8.467 6.579 1.00 0.00 H new ATOM 0 HA SER A 8 2.846 -9.279 6.677 1.00 0.00 H new ATOM 0 HB2 SER A 8 1.060 -8.890 4.246 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.507 -9.875 4.311 1.00 0.00 H new ATOM 0 HG SER A 8 0.579 -11.125 4.627 1.00 0.00 H new ATOM 111 N GLN A 9 4.252 -7.711 5.198 1.00 0.00 N ATOM 112 CA GLN A 9 5.104 -6.648 4.700 1.00 0.00 C ATOM 113 C GLN A 9 4.439 -5.875 3.571 1.00 0.00 C ATOM 114 O GLN A 9 3.920 -6.451 2.615 1.00 0.00 O ATOM 115 CB GLN A 9 6.454 -7.207 4.243 1.00 0.00 C ATOM 116 CG GLN A 9 7.601 -6.867 5.181 1.00 0.00 C ATOM 117 CD GLN A 9 8.041 -8.052 6.019 1.00 0.00 C ATOM 118 OE1 GLN A 9 8.989 -8.756 5.670 1.00 0.00 O ATOM 119 NE2 GLN A 9 7.351 -8.280 7.130 1.00 0.00 N ATOM 0 H GLN A 9 4.703 -8.623 5.267 1.00 0.00 H new ATOM 0 HA GLN A 9 5.272 -5.952 5.522 1.00 0.00 H new ATOM 0 HB2 GLN A 9 6.378 -8.291 4.153 1.00 0.00 H new ATOM 0 HB3 GLN A 9 6.681 -6.820 3.250 1.00 0.00 H new ATOM 0 HG2 GLN A 9 8.448 -6.505 4.597 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.297 -6.054 5.840 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.572 -7.671 7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 9 7.600 -9.064 7.733 1.00 0.00 H new ATOM 128 N ASN A 10 4.468 -4.557 3.708 1.00 0.00 N ATOM 129 CA ASN A 10 3.885 -3.657 2.728 1.00 0.00 C ATOM 130 C ASN A 10 2.368 -3.747 2.705 1.00 0.00 C ATOM 131 O ASN A 10 1.737 -3.465 1.685 1.00 0.00 O ATOM 132 CB ASN A 10 4.456 -3.925 1.335 1.00 0.00 C ATOM 133 CG ASN A 10 5.447 -2.861 0.907 1.00 0.00 C ATOM 134 OD1 ASN A 10 6.610 -3.153 0.631 1.00 0.00 O ATOM 135 ND2 ASN A 10 4.988 -1.615 0.856 1.00 0.00 N ATOM 0 H ASN A 10 4.897 -4.083 4.503 1.00 0.00 H new ATOM 0 HA ASN A 10 4.150 -2.643 3.027 1.00 0.00 H new ATOM 0 HB2 ASN A 10 4.945 -4.899 1.326 1.00 0.00 H new ATOM 0 HB3 ASN A 10 3.641 -3.971 0.613 1.00 0.00 H new ATOM 0 HD21 ASN A 10 5.608 -0.854 0.579 1.00 0.00 H new ATOM 0 HD22 ASN A 10 4.016 -1.420 1.094 1.00 0.00 H new ATOM 142 N GLU A 11 1.782 -4.108 3.836 1.00 0.00 N ATOM 143 CA GLU A 11 0.327 -4.190 3.922 1.00 0.00 C ATOM 144 C GLU A 11 -0.222 -3.062 4.769 1.00 0.00 C ATOM 145 O GLU A 11 0.386 -2.681 5.770 1.00 0.00 O ATOM 146 CB GLU A 11 -0.131 -5.549 4.450 1.00 0.00 C ATOM 147 CG GLU A 11 -1.075 -6.272 3.502 1.00 0.00 C ATOM 148 CD GLU A 11 -1.124 -7.766 3.754 1.00 0.00 C ATOM 149 OE1 GLU A 11 -1.240 -8.165 4.931 1.00 0.00 O ATOM 150 OE2 GLU A 11 -1.046 -8.536 2.773 1.00 0.00 O ATOM 0 H GLU A 11 2.278 -4.346 4.695 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.072 -4.085 2.913 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.743 -6.175 4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.627 -5.410 5.411 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.077 -5.857 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.761 -6.091 2.474 1.00 0.00 H new ATOM 157 N TYR A 12 -1.372 -2.512 4.365 1.00 0.00 N ATOM 158 CA TYR A 12 -1.956 -1.406 5.128 1.00 0.00 C ATOM 159 C TYR A 12 -3.329 -1.757 5.681 1.00 0.00 C ATOM 160 O TYR A 12 -4.260 -2.066 4.939 1.00 0.00 O ATOM 161 CB TYR A 12 -1.997 -0.112 4.304 1.00 0.00 C ATOM 162 CG TYR A 12 -3.162 0.016 3.345 1.00 0.00 C ATOM 163 CD1 TYR A 12 -3.104 -0.527 2.069 1.00 0.00 C ATOM 164 CD2 TYR A 12 -4.312 0.699 3.713 1.00 0.00 C ATOM 165 CE1 TYR A 12 -4.160 -0.397 1.188 1.00 0.00 C ATOM 166 CE2 TYR A 12 -5.371 0.835 2.838 1.00 0.00 C ATOM 167 CZ TYR A 12 -5.291 0.285 1.578 1.00 0.00 C ATOM 168 OH TYR A 12 -6.344 0.420 0.703 1.00 0.00 O ATOM 0 H TYR A 12 -1.901 -2.802 3.543 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.303 -1.231 5.983 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -2.020 0.734 4.991 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -1.071 -0.035 3.735 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -2.218 -1.061 1.759 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.380 1.131 4.700 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -4.099 -0.828 0.199 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.259 1.371 3.140 1.00 0.00 H new ATOM 0 HH TYR A 12 -7.189 0.355 1.195 1.00 0.00 H new ATOM 178 N PHE A 13 -3.423 -1.707 7.006 1.00 0.00 N ATOM 179 CA PHE A 13 -4.655 -2.020 7.726 1.00 0.00 C ATOM 180 C PHE A 13 -5.630 -0.857 7.687 1.00 0.00 C ATOM 181 O PHE A 13 -5.500 0.098 8.453 1.00 0.00 O ATOM 182 CB PHE A 13 -4.328 -2.361 9.182 1.00 0.00 C ATOM 183 CG PHE A 13 -5.511 -2.835 9.977 1.00 0.00 C ATOM 184 CD1 PHE A 13 -6.053 -4.092 9.756 1.00 0.00 C ATOM 185 CD2 PHE A 13 -6.080 -2.025 10.946 1.00 0.00 C ATOM 186 CE1 PHE A 13 -7.138 -4.531 10.489 1.00 0.00 C ATOM 187 CE2 PHE A 13 -7.166 -2.460 11.681 1.00 0.00 C ATOM 188 CZ PHE A 13 -7.695 -3.714 11.452 1.00 0.00 C ATOM 0 H PHE A 13 -2.646 -1.448 7.613 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.123 -2.875 7.238 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -3.558 -3.132 9.200 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -3.907 -1.479 9.666 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.622 -4.735 9.003 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.670 -1.043 11.129 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -7.550 -5.513 10.309 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -7.601 -1.819 12.434 1.00 0.00 H new ATOM 0 HZ PHE A 13 -8.544 -4.056 12.026 1.00 0.00 H new ATOM 198 N ASP A 14 -6.621 -0.948 6.814 1.00 0.00 N ATOM 199 CA ASP A 14 -7.625 0.099 6.713 1.00 0.00 C ATOM 200 C ASP A 14 -8.517 0.062 7.940 1.00 0.00 C ATOM 201 O ASP A 14 -9.405 -0.777 8.039 1.00 0.00 O ATOM 202 CB ASP A 14 -8.476 -0.076 5.456 1.00 0.00 C ATOM 203 CG ASP A 14 -7.661 -0.414 4.222 1.00 0.00 C ATOM 204 OD1 ASP A 14 -6.682 -1.181 4.341 1.00 0.00 O ATOM 205 OD2 ASP A 14 -8.008 0.084 3.130 1.00 0.00 O ATOM 0 H ASP A 14 -6.751 -1.729 6.171 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.116 1.061 6.651 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.207 -0.866 5.628 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -9.035 0.842 5.274 1.00 0.00 H new ATOM 210 N SER A 15 -8.278 0.967 8.882 1.00 0.00 N ATOM 211 CA SER A 15 -9.073 1.002 10.105 1.00 0.00 C ATOM 212 C SER A 15 -10.571 1.074 9.800 1.00 0.00 C ATOM 213 O SER A 15 -11.398 0.853 10.683 1.00 0.00 O ATOM 214 CB SER A 15 -8.655 2.167 11.019 1.00 0.00 C ATOM 215 OG SER A 15 -9.650 2.427 11.994 1.00 0.00 O ATOM 0 H SER A 15 -7.549 1.679 8.825 1.00 0.00 H new ATOM 0 HA SER A 15 -8.879 0.069 10.635 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.712 1.928 11.511 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.485 3.062 10.420 1.00 0.00 H new ATOM 0 HG SER A 15 -10.328 1.720 11.966 1.00 0.00 H new ATOM 221 N LEU A 16 -10.920 1.356 8.544 1.00 0.00 N ATOM 222 CA LEU A 16 -12.317 1.419 8.147 1.00 0.00 C ATOM 223 C LEU A 16 -12.768 0.066 7.602 1.00 0.00 C ATOM 224 O LEU A 16 -13.953 -0.264 7.628 1.00 0.00 O ATOM 225 CB LEU A 16 -12.523 2.508 7.093 1.00 0.00 C ATOM 226 CG LEU A 16 -12.857 3.893 7.650 1.00 0.00 C ATOM 227 CD1 LEU A 16 -14.164 3.856 8.425 1.00 0.00 C ATOM 228 CD2 LEU A 16 -11.726 4.398 8.534 1.00 0.00 C ATOM 0 H LEU A 16 -10.256 1.542 7.793 1.00 0.00 H new ATOM 0 HA LEU A 16 -12.918 1.665 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -11.618 2.584 6.490 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.327 2.198 6.425 1.00 0.00 H new ATOM 0 HG LEU A 16 -12.974 4.582 6.813 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -14.385 4.850 8.814 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -14.970 3.537 7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -14.076 3.154 9.254 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -11.980 5.384 8.922 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -11.578 3.708 9.365 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -10.809 4.463 7.949 1.00 0.00 H new ATOM 240 N LEU A 17 -11.805 -0.713 7.109 1.00 0.00 N ATOM 241 CA LEU A 17 -12.082 -2.028 6.553 1.00 0.00 C ATOM 242 C LEU A 17 -11.666 -3.138 7.517 1.00 0.00 C ATOM 243 O LEU A 17 -12.161 -4.261 7.425 1.00 0.00 O ATOM 244 CB LEU A 17 -11.330 -2.192 5.236 1.00 0.00 C ATOM 245 CG LEU A 17 -11.604 -1.100 4.201 1.00 0.00 C ATOM 246 CD1 LEU A 17 -10.649 -1.229 3.025 1.00 0.00 C ATOM 247 CD2 LEU A 17 -13.047 -1.166 3.726 1.00 0.00 C ATOM 0 H LEU A 17 -10.820 -0.449 7.086 1.00 0.00 H new ATOM 0 HA LEU A 17 -13.156 -2.107 6.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -10.260 -2.215 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -11.591 -3.158 4.803 1.00 0.00 H new ATOM 0 HG LEU A 17 -11.441 -0.131 4.672 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -10.858 -0.444 2.298 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.622 -1.132 3.378 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -10.781 -2.203 2.554 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -13.224 -0.382 2.990 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -13.237 -2.139 3.272 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -13.716 -1.025 4.575 1.00 0.00 H new ATOM 259 N HIS A 18 -10.743 -2.827 8.426 1.00 0.00 N ATOM 260 CA HIS A 18 -10.256 -3.812 9.381 1.00 0.00 C ATOM 261 C HIS A 18 -9.567 -4.953 8.650 1.00 0.00 C ATOM 262 O HIS A 18 -9.895 -6.125 8.838 1.00 0.00 O ATOM 263 CB HIS A 18 -11.400 -4.359 10.222 1.00 0.00 C ATOM 264 CG HIS A 18 -11.881 -3.414 11.279 1.00 0.00 C ATOM 265 ND1 HIS A 18 -11.029 -2.719 12.112 1.00 0.00 N ATOM 266 CD2 HIS A 18 -13.135 -3.050 11.638 1.00 0.00 C ATOM 267 CE1 HIS A 18 -11.739 -1.970 12.938 1.00 0.00 C ATOM 268 NE2 HIS A 18 -13.018 -2.152 12.670 1.00 0.00 N ATOM 0 H HIS A 18 -10.321 -1.903 8.518 1.00 0.00 H new ATOM 0 HA HIS A 18 -9.540 -3.322 10.041 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.233 -4.609 9.565 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.078 -5.286 10.696 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -10.011 -2.774 12.093 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -14.055 -3.401 11.195 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.340 -1.320 13.702 1.00 0.00 H new ATOM 277 N ALA A 19 -8.616 -4.593 7.805 1.00 0.00 N ATOM 278 CA ALA A 19 -7.877 -5.566 7.022 1.00 0.00 C ATOM 279 C ALA A 19 -6.633 -4.962 6.405 1.00 0.00 C ATOM 280 O ALA A 19 -6.711 -4.013 5.625 1.00 0.00 O ATOM 281 CB ALA A 19 -8.743 -6.119 5.907 1.00 0.00 C ATOM 0 H ALA A 19 -8.337 -3.625 7.644 1.00 0.00 H new ATOM 0 HA ALA A 19 -7.584 -6.364 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -8.173 -6.847 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -9.621 -6.603 6.334 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -9.058 -5.305 5.254 1.00 0.00 H new ATOM 287 N CYS A 20 -5.491 -5.538 6.722 1.00 0.00 N ATOM 288 CA CYS A 20 -4.249 -5.069 6.147 1.00 0.00 C ATOM 289 C CYS A 20 -4.231 -5.422 4.664 1.00 0.00 C ATOM 290 O CYS A 20 -4.115 -6.588 4.286 1.00 0.00 O ATOM 291 CB CYS A 20 -3.033 -5.676 6.852 1.00 0.00 C ATOM 292 SG CYS A 20 -3.147 -5.705 8.669 1.00 0.00 S ATOM 0 H CYS A 20 -5.398 -6.323 7.367 1.00 0.00 H new ATOM 0 HA CYS A 20 -4.189 -3.988 6.277 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -2.893 -6.696 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -2.145 -5.113 6.566 1.00 0.00 H new ATOM 297 N ILE A 21 -4.385 -4.403 3.838 1.00 0.00 N ATOM 298 CA ILE A 21 -4.429 -4.564 2.393 1.00 0.00 C ATOM 299 C ILE A 21 -3.135 -4.108 1.743 1.00 0.00 C ATOM 300 O ILE A 21 -2.543 -3.121 2.161 1.00 0.00 O ATOM 301 CB ILE A 21 -5.582 -3.724 1.823 1.00 0.00 C ATOM 302 CG1 ILE A 21 -6.912 -4.190 2.413 1.00 0.00 C ATOM 303 CG2 ILE A 21 -5.626 -3.776 0.299 1.00 0.00 C ATOM 304 CD1 ILE A 21 -7.880 -3.064 2.686 1.00 0.00 C ATOM 0 H ILE A 21 -4.484 -3.437 4.150 1.00 0.00 H new ATOM 0 HA ILE A 21 -4.575 -5.623 2.178 1.00 0.00 H new ATOM 0 HB ILE A 21 -5.408 -2.686 2.106 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -7.376 -4.898 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -6.720 -4.726 3.342 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.456 -3.169 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -4.691 -3.389 -0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.763 -4.807 -0.026 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.802 -3.470 3.104 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.436 -2.367 3.396 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.102 -2.542 1.755 1.00 0.00 H new ATOM 316 N PRO A 22 -2.678 -4.807 0.694 1.00 0.00 N ATOM 317 CA PRO A 22 -1.454 -4.426 0.001 1.00 0.00 C ATOM 318 C PRO A 22 -1.599 -3.081 -0.706 1.00 0.00 C ATOM 319 O PRO A 22 -2.550 -2.859 -1.453 1.00 0.00 O ATOM 320 CB PRO A 22 -1.237 -5.553 -1.010 1.00 0.00 C ATOM 321 CG PRO A 22 -2.591 -6.138 -1.220 1.00 0.00 C ATOM 322 CD PRO A 22 -3.302 -6.007 0.102 1.00 0.00 C ATOM 0 HA PRO A 22 -0.616 -4.302 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.821 -5.173 -1.943 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.538 -6.298 -0.629 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -3.128 -5.609 -2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -2.523 -7.182 -1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -4.377 -5.881 -0.028 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.158 -6.888 0.728 1.00 0.00 H new ATOM 330 N CYS A 23 -0.653 -2.186 -0.451 1.00 0.00 N ATOM 331 CA CYS A 23 -0.679 -0.849 -1.050 1.00 0.00 C ATOM 332 C CYS A 23 -0.539 -0.911 -2.568 1.00 0.00 C ATOM 333 O CYS A 23 -1.019 -0.029 -3.273 1.00 0.00 O ATOM 334 CB CYS A 23 0.432 0.036 -0.469 1.00 0.00 C ATOM 335 SG CYS A 23 0.699 -0.169 1.323 1.00 0.00 S ATOM 0 H CYS A 23 0.142 -2.357 0.165 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.648 -0.411 -0.809 1.00 0.00 H new ATOM 0 HB2 CYS A 23 1.364 -0.183 -0.990 1.00 0.00 H new ATOM 0 HB3 CYS A 23 0.191 1.080 -0.671 1.00 0.00 H new ATOM 340 N GLN A 24 0.127 -1.945 -3.064 1.00 0.00 N ATOM 341 CA GLN A 24 0.333 -2.104 -4.503 1.00 0.00 C ATOM 342 C GLN A 24 -0.970 -1.942 -5.281 1.00 0.00 C ATOM 343 O GLN A 24 -1.043 -1.187 -6.250 1.00 0.00 O ATOM 344 CB GLN A 24 0.952 -3.474 -4.797 1.00 0.00 C ATOM 345 CG GLN A 24 1.076 -3.785 -6.281 1.00 0.00 C ATOM 346 CD GLN A 24 2.108 -4.857 -6.568 1.00 0.00 C ATOM 347 OE1 GLN A 24 1.774 -5.951 -7.026 1.00 0.00 O ATOM 348 NE2 GLN A 24 3.371 -4.550 -6.298 1.00 0.00 N ATOM 0 H GLN A 24 0.534 -2.687 -2.495 1.00 0.00 H new ATOM 0 HA GLN A 24 1.015 -1.319 -4.829 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.941 -3.521 -4.341 1.00 0.00 H new ATOM 0 HB3 GLN A 24 0.346 -4.246 -4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.107 -4.107 -6.663 1.00 0.00 H new ATOM 0 HG3 GLN A 24 1.344 -2.875 -6.818 1.00 0.00 H new ATOM 0 HE21 GLN A 24 3.603 -3.632 -5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 24 4.110 -5.232 -6.469 1.00 0.00 H new ATOM 357 N LEU A 25 -1.983 -2.671 -4.853 1.00 0.00 N ATOM 358 CA LEU A 25 -3.290 -2.641 -5.500 1.00 0.00 C ATOM 359 C LEU A 25 -3.989 -1.288 -5.345 1.00 0.00 C ATOM 360 O LEU A 25 -5.019 -1.046 -5.976 1.00 0.00 O ATOM 361 CB LEU A 25 -4.182 -3.747 -4.933 1.00 0.00 C ATOM 362 CG LEU A 25 -3.776 -5.171 -5.318 1.00 0.00 C ATOM 363 CD1 LEU A 25 -4.328 -6.174 -4.316 1.00 0.00 C ATOM 364 CD2 LEU A 25 -4.257 -5.499 -6.724 1.00 0.00 C ATOM 0 H LEU A 25 -1.929 -3.299 -4.051 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.123 -2.804 -6.565 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.185 -3.668 -3.846 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.205 -3.575 -5.268 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.688 -5.235 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.029 -7.181 -4.607 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.935 -5.951 -3.324 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.416 -6.110 -4.298 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.960 -6.515 -6.982 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.343 -5.417 -6.765 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.813 -4.800 -7.433 1.00 0.00 H new ATOM 376 N ARG A 26 -3.445 -0.411 -4.505 1.00 0.00 N ATOM 377 CA ARG A 26 -4.058 0.905 -4.287 1.00 0.00 C ATOM 378 C ARG A 26 -3.071 2.057 -4.464 1.00 0.00 C ATOM 379 O ARG A 26 -3.434 3.221 -4.302 1.00 0.00 O ATOM 380 CB ARG A 26 -4.680 0.983 -2.892 1.00 0.00 C ATOM 381 CG ARG A 26 -5.787 2.017 -2.769 1.00 0.00 C ATOM 382 CD ARG A 26 -6.967 1.693 -3.674 1.00 0.00 C ATOM 383 NE ARG A 26 -7.549 0.389 -3.359 1.00 0.00 N ATOM 384 CZ ARG A 26 -8.823 0.070 -3.582 1.00 0.00 C ATOM 385 NH1 ARG A 26 -9.651 0.950 -4.131 1.00 0.00 N ATOM 386 NH2 ARG A 26 -9.269 -1.136 -3.258 1.00 0.00 N ATOM 0 H ARG A 26 -2.594 -0.580 -3.969 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.830 1.012 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -5.080 0.004 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -3.898 1.214 -2.169 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -6.125 2.066 -1.734 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.394 3.002 -3.022 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -7.728 2.466 -3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -6.642 1.704 -4.714 1.00 0.00 H new ATOM 0 HE ARG A 26 -6.943 -0.319 -2.944 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -9.313 1.878 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -10.625 0.698 -4.299 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -8.637 -1.818 -2.839 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -10.244 -1.382 -3.428 1.00 0.00 H new ATOM 400 N CYS A 27 -1.836 1.714 -4.788 1.00 0.00 N ATOM 401 CA CYS A 27 -0.749 2.682 -4.992 1.00 0.00 C ATOM 402 C CYS A 27 -0.953 3.986 -4.212 1.00 0.00 C ATOM 403 O CYS A 27 -0.434 4.136 -3.107 1.00 0.00 O ATOM 404 CB CYS A 27 -0.559 2.977 -6.482 1.00 0.00 C ATOM 405 SG CYS A 27 1.152 3.425 -6.927 1.00 0.00 S ATOM 0 H CYS A 27 -1.547 0.745 -4.921 1.00 0.00 H new ATOM 0 HA CYS A 27 0.155 2.217 -4.598 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.858 2.101 -7.058 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.225 3.790 -6.770 1.00 0.00 H new ATOM 410 N SER A 28 -1.696 4.931 -4.790 1.00 0.00 N ATOM 411 CA SER A 28 -1.938 6.194 -4.153 1.00 0.00 C ATOM 412 C SER A 28 -3.240 6.828 -4.634 1.00 0.00 C ATOM 413 O SER A 28 -3.241 7.923 -5.199 1.00 0.00 O ATOM 414 CB SER A 28 -0.765 7.128 -4.417 1.00 0.00 C ATOM 415 OG SER A 28 -1.100 8.474 -4.128 1.00 0.00 O ATOM 0 H SER A 28 -2.136 4.829 -5.704 1.00 0.00 H new ATOM 0 HA SER A 28 -2.037 6.023 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 28 0.087 6.825 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.458 7.044 -5.460 1.00 0.00 H new ATOM 0 HG SER A 28 -1.796 8.778 -4.747 1.00 0.00 H new ATOM 421 N SER A 29 -4.351 6.143 -4.391 1.00 0.00 N ATOM 422 CA SER A 29 -5.658 6.648 -4.780 1.00 0.00 C ATOM 423 C SER A 29 -6.750 6.050 -3.906 1.00 0.00 C ATOM 424 O SER A 29 -6.720 4.868 -3.566 1.00 0.00 O ATOM 425 CB SER A 29 -5.954 6.347 -6.244 1.00 0.00 C ATOM 426 OG SER A 29 -4.965 6.902 -7.093 1.00 0.00 O ATOM 0 H SER A 29 -4.371 5.236 -3.926 1.00 0.00 H new ATOM 0 HA SER A 29 -5.643 7.729 -4.643 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.001 5.268 -6.394 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.932 6.749 -6.510 1.00 0.00 H new ATOM 0 HG SER A 29 -5.179 6.692 -8.026 1.00 0.00 H new ATOM 432 N ASN A 30 -7.708 6.889 -3.545 1.00 0.00 N ATOM 433 CA ASN A 30 -8.827 6.475 -2.701 1.00 0.00 C ATOM 434 C ASN A 30 -8.330 5.760 -1.448 1.00 0.00 C ATOM 435 O ASN A 30 -9.059 4.973 -0.843 1.00 0.00 O ATOM 436 CB ASN A 30 -9.770 5.559 -3.482 1.00 0.00 C ATOM 437 CG ASN A 30 -10.866 6.327 -4.194 1.00 0.00 C ATOM 438 OD1 ASN A 30 -10.939 6.332 -5.423 1.00 0.00 O ATOM 439 ND2 ASN A 30 -11.726 6.984 -3.423 1.00 0.00 N ATOM 0 H ASN A 30 -7.736 7.870 -3.824 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.369 7.370 -2.396 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -9.196 4.990 -4.213 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.220 4.839 -2.799 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.484 7.520 -3.846 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.628 6.953 -2.408 1.00 0.00 H new ATOM 446 N THR A 31 -7.088 6.042 -1.066 1.00 0.00 N ATOM 447 CA THR A 31 -6.485 5.429 0.099 1.00 0.00 C ATOM 448 C THR A 31 -5.153 6.100 0.447 1.00 0.00 C ATOM 449 O THR A 31 -4.095 5.581 0.093 1.00 0.00 O ATOM 450 CB THR A 31 -6.253 3.941 -0.155 1.00 0.00 C ATOM 451 OG1 THR A 31 -7.471 3.276 -0.436 1.00 0.00 O ATOM 452 CG2 THR A 31 -5.602 3.226 1.011 1.00 0.00 C ATOM 0 H THR A 31 -6.480 6.698 -1.556 1.00 0.00 H new ATOM 0 HA THR A 31 -7.168 5.556 0.939 1.00 0.00 H new ATOM 0 HB THR A 31 -5.578 3.903 -1.010 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.223 3.849 -0.178 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.467 2.173 0.763 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.632 3.677 1.219 1.00 0.00 H new ATOM 0 HG23 THR A 31 -6.238 3.312 1.892 1.00 0.00 H new ATOM 460 N PRO A 32 -5.167 7.265 1.134 1.00 0.00 N ATOM 461 CA PRO A 32 -3.933 7.969 1.502 1.00 0.00 C ATOM 462 C PRO A 32 -2.861 7.016 2.035 1.00 0.00 C ATOM 463 O PRO A 32 -2.892 6.619 3.200 1.00 0.00 O ATOM 464 CB PRO A 32 -4.375 8.959 2.596 1.00 0.00 C ATOM 465 CG PRO A 32 -5.814 8.655 2.868 1.00 0.00 C ATOM 466 CD PRO A 32 -6.348 8.000 1.608 1.00 0.00 C ATOM 0 HA PRO A 32 -3.478 8.459 0.641 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -3.774 8.839 3.497 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.250 9.990 2.264 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.917 7.991 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.368 9.565 3.100 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -7.188 7.337 1.815 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.694 8.734 0.880 1.00 0.00 H new ATOM 474 N PRO A 33 -1.903 6.628 1.174 1.00 0.00 N ATOM 475 CA PRO A 33 -0.825 5.713 1.530 1.00 0.00 C ATOM 476 C PRO A 33 0.348 6.409 2.181 1.00 0.00 C ATOM 477 O PRO A 33 1.414 6.550 1.587 1.00 0.00 O ATOM 478 CB PRO A 33 -0.417 5.093 0.186 1.00 0.00 C ATOM 479 CG PRO A 33 -1.170 5.836 -0.878 1.00 0.00 C ATOM 480 CD PRO A 33 -1.796 7.037 -0.227 1.00 0.00 C ATOM 0 HA PRO A 33 -1.149 4.980 2.268 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.658 5.179 0.031 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -0.659 4.030 0.161 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.500 6.140 -1.682 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.934 5.199 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.178 7.928 -0.342 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -2.771 7.268 -0.657 1.00 0.00 H new ATOM 488 N LEU A 34 0.153 6.834 3.415 1.00 0.00 N ATOM 489 CA LEU A 34 1.226 7.504 4.137 1.00 0.00 C ATOM 490 C LEU A 34 2.413 6.566 4.341 1.00 0.00 C ATOM 491 O LEU A 34 3.564 6.986 4.216 1.00 0.00 O ATOM 492 CB LEU A 34 0.758 8.125 5.472 1.00 0.00 C ATOM 493 CG LEU A 34 -0.174 7.285 6.365 1.00 0.00 C ATOM 494 CD1 LEU A 34 0.506 6.001 6.818 1.00 0.00 C ATOM 495 CD2 LEU A 34 -0.604 8.104 7.574 1.00 0.00 C ATOM 0 H LEU A 34 -0.720 6.732 3.933 1.00 0.00 H new ATOM 0 HA LEU A 34 1.551 8.338 3.515 1.00 0.00 H new ATOM 0 HB2 LEU A 34 1.645 8.375 6.055 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.250 9.063 5.246 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.052 7.011 5.781 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.177 5.430 7.447 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.779 5.407 5.946 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.403 6.245 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.263 7.506 8.203 1.00 0.00 H new ATOM 0 HD22 LEU A 34 0.276 8.397 8.146 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.133 8.996 7.239 1.00 0.00 H new ATOM 507 N THR A 35 2.145 5.294 4.621 1.00 0.00 N ATOM 508 CA THR A 35 3.206 4.324 4.798 1.00 0.00 C ATOM 509 C THR A 35 3.513 3.615 3.477 1.00 0.00 C ATOM 510 O THR A 35 4.376 2.739 3.426 1.00 0.00 O ATOM 511 CB THR A 35 2.821 3.298 5.864 1.00 0.00 C ATOM 512 OG1 THR A 35 3.880 2.387 6.090 1.00 0.00 O ATOM 513 CG2 THR A 35 1.591 2.492 5.503 1.00 0.00 C ATOM 0 H THR A 35 1.203 4.918 4.729 1.00 0.00 H new ATOM 0 HA THR A 35 4.100 4.854 5.127 1.00 0.00 H new ATOM 0 HB THR A 35 2.604 3.881 6.759 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.364 2.233 5.252 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.373 1.783 6.302 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.742 3.163 5.372 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.771 1.949 4.575 1.00 0.00 H new ATOM 521 N CYS A 36 2.801 3.987 2.403 1.00 0.00 N ATOM 522 CA CYS A 36 3.024 3.357 1.103 1.00 0.00 C ATOM 523 C CYS A 36 3.425 4.368 0.030 1.00 0.00 C ATOM 524 O CYS A 36 3.884 3.981 -1.045 1.00 0.00 O ATOM 525 CB CYS A 36 1.781 2.585 0.654 1.00 0.00 C ATOM 526 SG CYS A 36 0.894 1.735 2.001 1.00 0.00 S ATOM 0 H CYS A 36 2.080 4.708 2.411 1.00 0.00 H new ATOM 0 HA CYS A 36 3.854 2.662 1.229 1.00 0.00 H new ATOM 0 HB2 CYS A 36 1.096 3.277 0.164 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.076 1.847 -0.092 1.00 0.00 H new ATOM 531 N GLN A 37 3.256 5.659 0.314 1.00 0.00 N ATOM 532 CA GLN A 37 3.610 6.704 -0.645 1.00 0.00 C ATOM 533 C GLN A 37 4.985 6.447 -1.253 1.00 0.00 C ATOM 534 O GLN A 37 5.255 6.832 -2.391 1.00 0.00 O ATOM 535 CB GLN A 37 3.582 8.078 0.032 1.00 0.00 C ATOM 536 CG GLN A 37 2.540 9.021 -0.547 1.00 0.00 C ATOM 537 CD GLN A 37 2.916 10.480 -0.372 1.00 0.00 C ATOM 538 OE1 GLN A 37 3.771 11.003 -1.086 1.00 0.00 O ATOM 539 NE2 GLN A 37 2.275 11.144 0.582 1.00 0.00 N ATOM 0 H GLN A 37 2.878 6.005 1.196 1.00 0.00 H new ATOM 0 HA GLN A 37 2.874 6.688 -1.448 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.388 7.945 1.096 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.566 8.538 -0.058 1.00 0.00 H new ATOM 0 HG2 GLN A 37 2.411 8.807 -1.608 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.580 8.836 -0.065 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.573 10.670 1.150 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.484 12.129 0.747 1.00 0.00 H new ATOM 548 N ARG A 38 5.841 5.780 -0.492 1.00 0.00 N ATOM 549 CA ARG A 38 7.177 5.453 -0.953 1.00 0.00 C ATOM 550 C ARG A 38 7.119 4.247 -1.888 1.00 0.00 C ATOM 551 O ARG A 38 7.781 4.215 -2.921 1.00 0.00 O ATOM 552 CB ARG A 38 8.089 5.181 0.254 1.00 0.00 C ATOM 553 CG ARG A 38 9.133 4.095 0.032 1.00 0.00 C ATOM 554 CD ARG A 38 10.460 4.453 0.682 1.00 0.00 C ATOM 555 NE ARG A 38 11.494 4.717 -0.318 1.00 0.00 N ATOM 556 CZ ARG A 38 12.467 3.864 -0.634 1.00 0.00 C ATOM 557 NH1 ARG A 38 12.555 2.683 -0.033 1.00 0.00 N ATOM 558 NH2 ARG A 38 13.357 4.193 -1.559 1.00 0.00 N ATOM 0 H ARG A 38 5.630 5.455 0.451 1.00 0.00 H new ATOM 0 HA ARG A 38 7.592 6.294 -1.510 1.00 0.00 H new ATOM 0 HB2 ARG A 38 8.599 6.106 0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 38 7.468 4.901 1.105 1.00 0.00 H new ATOM 0 HG2 ARG A 38 8.770 3.152 0.440 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.280 3.944 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 38 10.331 5.332 1.314 1.00 0.00 H new ATOM 0 HD3 ARG A 38 10.780 3.638 1.331 1.00 0.00 H new ATOM 0 HE ARG A 38 11.468 5.613 -0.805 1.00 0.00 H new ATOM 0 HH11 ARG A 38 11.873 2.421 0.679 1.00 0.00 H new ATOM 0 HH12 ARG A 38 13.304 2.038 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 38 13.296 5.097 -2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 38 14.103 3.542 -1.803 1.00 0.00 H new ATOM 572 N TYR A 39 6.309 3.262 -1.520 1.00 0.00 N ATOM 573 CA TYR A 39 6.160 2.060 -2.326 1.00 0.00 C ATOM 574 C TYR A 39 5.438 2.370 -3.626 1.00 0.00 C ATOM 575 O TYR A 39 5.833 1.897 -4.692 1.00 0.00 O ATOM 576 CB TYR A 39 5.411 0.970 -1.550 1.00 0.00 C ATOM 577 CG TYR A 39 5.786 -0.432 -1.969 1.00 0.00 C ATOM 578 CD1 TYR A 39 6.941 -1.035 -1.484 1.00 0.00 C ATOM 579 CD2 TYR A 39 4.993 -1.149 -2.855 1.00 0.00 C ATOM 580 CE1 TYR A 39 7.293 -2.314 -1.873 1.00 0.00 C ATOM 581 CE2 TYR A 39 5.339 -2.429 -3.246 1.00 0.00 C ATOM 582 CZ TYR A 39 6.489 -3.007 -2.753 1.00 0.00 C ATOM 583 OH TYR A 39 6.838 -4.281 -3.141 1.00 0.00 O ATOM 0 H TYR A 39 5.746 3.273 -0.669 1.00 0.00 H new ATOM 0 HA TYR A 39 7.158 1.690 -2.563 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.613 1.089 -0.485 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.339 1.108 -1.689 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.573 -0.496 -0.793 1.00 0.00 H new ATOM 0 HD2 TYR A 39 4.092 -0.700 -3.245 1.00 0.00 H new ATOM 0 HE1 TYR A 39 8.194 -2.769 -1.489 1.00 0.00 H new ATOM 0 HE2 TYR A 39 4.711 -2.974 -3.935 1.00 0.00 H new ATOM 0 HH TYR A 39 6.165 -4.629 -3.763 1.00 0.00 H new ATOM 593 N CYS A 40 4.389 3.177 -3.540 1.00 0.00 N ATOM 594 CA CYS A 40 3.636 3.554 -4.732 1.00 0.00 C ATOM 595 C CYS A 40 4.562 4.241 -5.727 1.00 0.00 C ATOM 596 O CYS A 40 4.531 3.952 -6.923 1.00 0.00 O ATOM 597 CB CYS A 40 2.459 4.472 -4.379 1.00 0.00 C ATOM 598 SG CYS A 40 1.528 5.089 -5.823 1.00 0.00 S ATOM 0 H CYS A 40 4.042 3.580 -2.669 1.00 0.00 H new ATOM 0 HA CYS A 40 3.228 2.649 -5.182 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.775 3.931 -3.725 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.835 5.324 -3.813 1.00 0.00 H new ATOM 603 N ASN A 41 5.401 5.138 -5.220 1.00 0.00 N ATOM 604 CA ASN A 41 6.348 5.848 -6.063 1.00 0.00 C ATOM 605 C ASN A 41 7.410 4.891 -6.595 1.00 0.00 C ATOM 606 O ASN A 41 8.101 5.187 -7.570 1.00 0.00 O ATOM 607 CB ASN A 41 6.979 7.022 -5.290 1.00 0.00 C ATOM 608 CG ASN A 41 8.485 6.897 -5.111 1.00 0.00 C ATOM 609 OD1 ASN A 41 9.247 7.746 -5.575 1.00 0.00 O ATOM 610 ND2 ASN A 41 8.916 5.839 -4.435 1.00 0.00 N ATOM 0 H ASN A 41 5.442 5.388 -4.232 1.00 0.00 H new ATOM 0 HA ASN A 41 5.817 6.262 -6.920 1.00 0.00 H new ATOM 0 HB2 ASN A 41 6.760 7.951 -5.816 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.510 7.093 -4.309 1.00 0.00 H new ATOM 0 HD21 ASN A 41 9.915 5.704 -4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 41 8.248 5.161 -4.069 1.00 0.00 H new ATOM 617 N ALA A 42 7.513 3.740 -5.952 1.00 0.00 N ATOM 618 CA ALA A 42 8.467 2.717 -6.354 1.00 0.00 C ATOM 619 C ALA A 42 7.736 1.466 -6.820 1.00 0.00 C ATOM 620 O ALA A 42 8.239 0.350 -6.697 1.00 0.00 O ATOM 621 CB ALA A 42 9.415 2.390 -5.209 1.00 0.00 C ATOM 0 H ALA A 42 6.944 3.488 -5.144 1.00 0.00 H new ATOM 0 HA ALA A 42 9.058 3.101 -7.186 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.121 1.623 -5.529 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.961 3.288 -4.921 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.843 2.024 -4.356 1.00 0.00 H new ATOM 627 N SER A 43 6.539 1.672 -7.354 1.00 0.00 N ATOM 628 CA SER A 43 5.714 0.580 -7.847 1.00 0.00 C ATOM 629 C SER A 43 4.906 0.998 -9.078 1.00 0.00 C ATOM 630 O SER A 43 4.446 0.149 -9.841 1.00 0.00 O ATOM 631 CB SER A 43 4.771 0.091 -6.746 1.00 0.00 C ATOM 632 OG SER A 43 5.459 -0.711 -5.803 1.00 0.00 O ATOM 0 H SER A 43 6.116 2.595 -7.457 1.00 0.00 H new ATOM 0 HA SER A 43 6.379 -0.232 -8.140 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.322 0.946 -6.241 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.956 -0.482 -7.189 1.00 0.00 H new ATOM 0 HG SER A 43 4.982 -0.692 -4.947 1.00 0.00 H new ATOM 638 N VAL A 44 4.734 2.307 -9.270 1.00 0.00 N ATOM 639 CA VAL A 44 3.983 2.817 -10.407 1.00 0.00 C ATOM 640 C VAL A 44 4.449 4.222 -10.781 1.00 0.00 C ATOM 641 O VAL A 44 3.684 5.182 -10.701 1.00 0.00 O ATOM 642 CB VAL A 44 2.468 2.847 -10.120 1.00 0.00 C ATOM 643 CG1 VAL A 44 1.689 3.167 -11.386 1.00 0.00 C ATOM 644 CG2 VAL A 44 2.006 1.524 -9.523 1.00 0.00 C ATOM 0 H VAL A 44 5.106 3.028 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 44 4.168 2.138 -11.239 1.00 0.00 H new ATOM 0 HB VAL A 44 2.274 3.634 -9.392 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.622 3.183 -11.162 1.00 0.00 H new ATOM 0 HG12 VAL A 44 1.995 4.142 -11.765 1.00 0.00 H new ATOM 0 HG13 VAL A 44 1.890 2.405 -12.139 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.934 1.567 -9.328 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.215 0.716 -10.224 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.537 1.341 -8.589 1.00 0.00 H new ATOM 654 N THR A 45 5.715 4.328 -11.178 1.00 0.00 N ATOM 655 CA THR A 45 6.307 5.610 -11.562 1.00 0.00 C ATOM 656 C THR A 45 5.953 6.704 -10.563 1.00 0.00 C ATOM 657 O THR A 45 5.512 6.424 -9.449 1.00 0.00 O ATOM 658 CB THR A 45 5.858 6.020 -12.970 1.00 0.00 C ATOM 659 OG1 THR A 45 6.467 7.240 -13.357 1.00 0.00 O ATOM 660 CG2 THR A 45 4.362 6.197 -13.106 1.00 0.00 C ATOM 0 H THR A 45 6.355 3.537 -11.243 1.00 0.00 H new ATOM 0 HA THR A 45 7.390 5.483 -11.562 1.00 0.00 H new ATOM 0 HB THR A 45 6.167 5.196 -13.614 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.774 7.894 -13.586 1.00 0.00 H new ATOM 0 HG21 THR A 45 4.121 6.487 -14.129 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.861 5.259 -12.867 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.024 6.973 -12.420 1.00 0.00 H new ATOM 668 N ASN A 46 6.145 7.949 -10.973 1.00 0.00 N ATOM 669 CA ASN A 46 5.850 9.088 -10.119 1.00 0.00 C ATOM 670 C ASN A 46 5.538 10.331 -10.948 1.00 0.00 C ATOM 671 O ASN A 46 5.464 10.268 -12.174 1.00 0.00 O ATOM 672 CB ASN A 46 7.026 9.365 -9.181 1.00 0.00 C ATOM 673 CG ASN A 46 8.324 9.590 -9.932 1.00 0.00 C ATOM 674 OD1 ASN A 46 8.470 10.569 -10.664 1.00 0.00 O ATOM 675 ND2 ASN A 46 9.276 8.681 -9.754 1.00 0.00 N ATOM 0 H ASN A 46 6.505 8.196 -11.895 1.00 0.00 H new ATOM 0 HA ASN A 46 4.969 8.845 -9.525 1.00 0.00 H new ATOM 0 HB2 ASN A 46 6.804 10.243 -8.574 1.00 0.00 H new ATOM 0 HB3 ASN A 46 7.146 8.526 -8.496 1.00 0.00 H new ATOM 0 HD21 ASN A 46 10.171 8.779 -10.233 1.00 0.00 H new ATOM 0 HD22 ASN A 46 9.112 7.885 -9.138 1.00 0.00 H new ATOM 682 N SER A 47 5.351 11.458 -10.265 1.00 0.00 N ATOM 683 CA SER A 47 5.045 12.722 -10.929 1.00 0.00 C ATOM 684 C SER A 47 3.871 12.568 -11.893 1.00 0.00 C ATOM 685 O SER A 47 4.058 12.281 -13.075 1.00 0.00 O ATOM 686 CB SER A 47 6.273 13.242 -11.679 1.00 0.00 C ATOM 687 OG SER A 47 6.698 12.323 -12.671 1.00 0.00 O ATOM 0 H SER A 47 5.406 11.521 -9.248 1.00 0.00 H new ATOM 0 HA SER A 47 4.765 13.443 -10.161 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.039 14.200 -12.144 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.084 13.420 -10.973 1.00 0.00 H new ATOM 0 HG SER A 47 5.942 11.762 -12.943 1.00 0.00 H new ATOM 693 N VAL A 48 2.660 12.761 -11.378 1.00 0.00 N ATOM 694 CA VAL A 48 1.452 12.644 -12.192 1.00 0.00 C ATOM 695 C VAL A 48 0.934 13.999 -12.631 1.00 0.00 C ATOM 696 O VAL A 48 -0.244 14.170 -12.944 1.00 0.00 O ATOM 697 CB VAL A 48 0.343 11.940 -11.443 1.00 0.00 C ATOM 698 CG1 VAL A 48 -0.707 11.404 -12.406 1.00 0.00 C ATOM 699 CG2 VAL A 48 0.888 10.835 -10.548 1.00 0.00 C ATOM 0 H VAL A 48 2.488 12.999 -10.401 1.00 0.00 H new ATOM 0 HA VAL A 48 1.737 12.060 -13.067 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.138 12.673 -10.796 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -1.494 10.902 -11.843 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.136 12.230 -12.973 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.243 10.696 -13.092 1.00 0.00 H new ATOM 0 HG21 VAL A 48 0.063 10.351 -10.025 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.414 10.100 -11.157 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.578 11.263 -9.820 1.00 0.00 H new ATOM 709 N LYS A 49 1.833 14.943 -12.647 1.00 0.00 N ATOM 710 CA LYS A 49 1.525 16.313 -13.043 1.00 0.00 C ATOM 711 C LYS A 49 0.396 16.891 -12.193 1.00 0.00 C ATOM 712 O LYS A 49 -0.412 17.685 -12.675 1.00 0.00 O ATOM 713 CB LYS A 49 1.143 16.364 -14.523 1.00 0.00 C ATOM 714 CG LYS A 49 1.318 17.739 -15.148 1.00 0.00 C ATOM 715 CD LYS A 49 1.228 17.675 -16.664 1.00 0.00 C ATOM 716 CE LYS A 49 1.915 18.866 -17.312 1.00 0.00 C ATOM 717 NZ LYS A 49 3.308 19.041 -16.816 1.00 0.00 N ATOM 0 H LYS A 49 2.808 14.796 -12.387 1.00 0.00 H new ATOM 0 HA LYS A 49 2.418 16.918 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.750 15.644 -15.072 1.00 0.00 H new ATOM 0 HB3 LYS A 49 0.104 16.053 -14.633 1.00 0.00 H new ATOM 0 HG2 LYS A 49 0.553 18.414 -14.765 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.283 18.153 -14.857 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.686 16.752 -17.018 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.181 17.648 -16.967 1.00 0.00 H new ATOM 0 HE2 LYS A 49 1.929 18.733 -18.394 1.00 0.00 H new ATOM 0 HE3 LYS A 49 1.341 19.770 -17.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 3.875 19.530 -17.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 3.297 19.606 -15.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.726 18.109 -16.620 1.00 0.00 H new HETATM 731 N CY1 A 50 0.357 16.562 -10.892 1.00 0.00 N HETATM 732 CA CY1 A 50 -0.725 16.978 -9.968 1.00 0.00 C HETATM 733 CB CY1 A 50 -1.202 15.828 -9.063 1.00 0.00 C HETATM 734 SG CY1 A 50 -2.828 16.207 -8.317 1.00 0.00 S HETATM 735 CD CY1 A 50 -2.931 14.937 -7.027 1.00 0.00 C HETATM 736 NE CY1 A 50 -1.971 15.277 -5.980 1.00 0.00 N HETATM 737 CZ CY1 A 50 -1.025 14.439 -5.536 1.00 0.00 C HETATM 738 OAC CY1 A 50 -0.890 13.333 -5.999 1.00 0.00 O HETATM 739 CM CY1 A 50 -0.129 14.985 -4.461 1.00 0.00 C HETATM 740 C CY1 A 50 -0.368 18.218 -9.155 1.00 0.00 C HETATM 741 O CY1 A 50 0.093 18.190 -8.037 1.00 0.00 O HETATM 0 HM3 CY1 A 50 0.393 15.866 -4.835 1.00 0.00 H new HETATM 0 HM2 CY1 A 50 -0.728 15.259 -3.593 1.00 0.00 H new HETATM 0 HM1 CY1 A 50 0.599 14.226 -4.174 1.00 0.00 H new HETATM 0 HE CY1 A 50 -2.024 16.206 -5.563 1.00 0.00 H new HETATM 0 HD3 CY1 A 50 -3.940 14.891 -6.618 1.00 0.00 H new HETATM 0 HD2 CY1 A 50 -2.710 13.954 -7.442 1.00 0.00 H new HETATM 0 HB3 CY1 A 50 -1.271 14.908 -9.644 1.00 0.00 H new HETATM 0 HB2 CY1 A 50 -0.469 15.653 -8.275 1.00 0.00 H new HETATM 0 HA CY1 A 50 -1.564 17.254 -10.607 1.00 0.00 H new HETATM 0 H CY1 A 50 0.700 15.602 -10.876 1.00 0.00 H new HETATM 752 N NH2 A 51 -0.219 19.340 -9.854 1.00 0.00 N TER 755 NH2 A 51