USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 482 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 THR N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 1:sc= 0.237 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.53 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot -116:sc= -0.159 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl -175:sc= 0 (180deg=-0.0274) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 166:sc= 0.419 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 48 LYS NZ :NH3+ -130:sc= -0.0183 (180deg=-0.928) USER MOD Single : A 50 LYS NZ :NH3+ -175:sc= 0.114 (180deg=0.108) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 32:sc= 0.0949 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -31.084 -19.703 -13.399 1.00 0.00 N ATOM 2 CA THR A 1 -31.976 -19.337 -14.526 1.00 0.00 C ATOM 3 C THR A 1 -31.384 -18.075 -15.244 1.00 0.00 C ATOM 4 O THR A 1 -31.099 -17.097 -14.540 1.00 0.00 O ATOM 5 CB THR A 1 -33.431 -19.106 -13.990 1.00 0.00 C ATOM 6 OG1 THR A 1 -33.955 -20.339 -13.507 1.00 0.00 O ATOM 7 CG2 THR A 1 -34.486 -18.514 -14.957 1.00 0.00 C ATOM 0 H1 THR A 1 -31.465 -20.540 -12.913 1.00 0.00 H new ATOM 0 H2 THR A 1 -30.134 -19.917 -13.764 1.00 0.00 H new ATOM 0 H3 THR A 1 -31.027 -18.909 -12.729 1.00 0.00 H new ATOM 0 HA THR A 1 -32.034 -20.141 -15.260 1.00 0.00 H new ATOM 0 HB THR A 1 -33.284 -18.340 -13.229 1.00 0.00 H new ATOM 0 HG1 THR A 1 -34.864 -20.198 -13.169 1.00 0.00 H new ATOM 0 HG21 THR A 1 -35.440 -18.415 -14.439 1.00 0.00 H new ATOM 0 HG22 THR A 1 -34.156 -17.533 -15.300 1.00 0.00 H new ATOM 0 HG23 THR A 1 -34.606 -19.176 -15.814 1.00 0.00 H new ATOM 17 N PRO A 2 -31.230 -17.994 -16.605 1.00 0.00 N ATOM 18 CA PRO A 2 -30.708 -16.777 -17.287 1.00 0.00 C ATOM 19 C PRO A 2 -31.798 -15.663 -17.389 1.00 0.00 C ATOM 20 O PRO A 2 -32.764 -15.784 -18.150 1.00 0.00 O ATOM 21 CB PRO A 2 -30.268 -17.344 -18.663 1.00 0.00 C ATOM 22 CG PRO A 2 -31.211 -18.521 -18.927 1.00 0.00 C ATOM 23 CD PRO A 2 -31.472 -19.115 -17.540 1.00 0.00 C ATOM 0 HA PRO A 2 -29.894 -16.278 -16.761 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -30.350 -16.589 -19.445 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -29.228 -17.669 -18.642 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -32.136 -18.191 -19.399 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -30.756 -19.253 -19.594 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -32.492 -19.490 -17.454 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -30.806 -19.953 -17.335 1.00 0.00 H new ATOM 31 N ASP A 3 -31.638 -14.601 -16.579 1.00 0.00 N ATOM 32 CA ASP A 3 -32.627 -13.493 -16.481 1.00 0.00 C ATOM 33 C ASP A 3 -31.940 -12.179 -16.021 1.00 0.00 C ATOM 34 O ASP A 3 -30.995 -12.177 -15.222 1.00 0.00 O ATOM 35 CB ASP A 3 -33.857 -13.860 -15.587 1.00 0.00 C ATOM 36 CG ASP A 3 -33.586 -14.160 -14.100 1.00 0.00 C ATOM 37 OD1 ASP A 3 -33.536 -13.205 -13.292 1.00 0.00 O ATOM 38 OD2 ASP A 3 -33.421 -15.345 -13.740 1.00 0.00 O ATOM 0 H ASP A 3 -30.826 -14.479 -15.973 1.00 0.00 H new ATOM 0 HA ASP A 3 -33.027 -13.328 -17.481 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -34.570 -13.037 -15.641 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -34.343 -14.732 -16.024 1.00 0.00 H new ATOM 43 N VAL A 4 -32.475 -11.051 -16.522 1.00 0.00 N ATOM 44 CA VAL A 4 -31.953 -9.689 -16.217 1.00 0.00 C ATOM 45 C VAL A 4 -32.620 -9.188 -14.883 1.00 0.00 C ATOM 46 O VAL A 4 -33.790 -9.483 -14.606 1.00 0.00 O ATOM 47 CB VAL A 4 -32.204 -8.686 -17.401 1.00 0.00 C ATOM 48 CG1 VAL A 4 -31.396 -7.377 -17.259 1.00 0.00 C ATOM 49 CG2 VAL A 4 -31.917 -9.231 -18.826 1.00 0.00 C ATOM 0 H VAL A 4 -33.280 -11.048 -17.149 1.00 0.00 H new ATOM 0 HA VAL A 4 -30.872 -9.738 -16.090 1.00 0.00 H new ATOM 0 HB VAL A 4 -33.276 -8.511 -17.311 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -31.610 -6.724 -18.105 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -31.676 -6.875 -16.333 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -30.331 -7.607 -17.239 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -32.125 -8.454 -19.561 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -30.871 -9.528 -18.898 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -32.554 -10.094 -19.021 1.00 0.00 H new ATOM 59 N SER A 5 -31.878 -8.406 -14.076 1.00 0.00 N ATOM 60 CA SER A 5 -32.431 -7.731 -12.867 1.00 0.00 C ATOM 61 C SER A 5 -31.719 -6.353 -12.748 1.00 0.00 C ATOM 62 O SER A 5 -30.814 -6.162 -11.928 1.00 0.00 O ATOM 63 CB SER A 5 -32.269 -8.614 -11.602 1.00 0.00 C ATOM 64 OG SER A 5 -33.054 -9.797 -11.688 1.00 0.00 O ATOM 0 H SER A 5 -30.888 -8.220 -14.234 1.00 0.00 H new ATOM 0 HA SER A 5 -33.506 -7.574 -12.960 1.00 0.00 H new ATOM 0 HB2 SER A 5 -31.220 -8.881 -11.475 1.00 0.00 H new ATOM 0 HB3 SER A 5 -32.562 -8.045 -10.720 1.00 0.00 H new ATOM 0 HG SER A 5 -33.523 -9.817 -12.548 1.00 0.00 H new ATOM 70 N SER A 6 -32.104 -5.411 -13.636 1.00 0.00 N ATOM 71 CA SER A 6 -31.341 -4.156 -13.919 1.00 0.00 C ATOM 72 C SER A 6 -29.798 -4.300 -14.175 1.00 0.00 C ATOM 73 O SER A 6 -28.999 -3.503 -13.675 1.00 0.00 O ATOM 74 CB SER A 6 -31.710 -3.039 -12.909 1.00 0.00 C ATOM 75 OG SER A 6 -33.107 -2.764 -12.912 1.00 0.00 O ATOM 0 H SER A 6 -32.959 -5.492 -14.186 1.00 0.00 H new ATOM 0 HA SER A 6 -31.683 -3.849 -14.908 1.00 0.00 H new ATOM 0 HB2 SER A 6 -31.401 -3.338 -11.907 1.00 0.00 H new ATOM 0 HB3 SER A 6 -31.160 -2.131 -13.155 1.00 0.00 H new ATOM 0 HG SER A 6 -33.303 -2.057 -12.263 1.00 0.00 H new ATOM 81 N ALA A 7 -29.388 -5.300 -14.985 1.00 0.00 N ATOM 82 CA ALA A 7 -27.975 -5.477 -15.419 1.00 0.00 C ATOM 83 C ALA A 7 -27.671 -4.702 -16.733 1.00 0.00 C ATOM 84 O ALA A 7 -26.775 -3.853 -16.734 1.00 0.00 O ATOM 85 CB ALA A 7 -27.637 -6.978 -15.510 1.00 0.00 C ATOM 0 H ALA A 7 -30.021 -6.008 -15.358 1.00 0.00 H new ATOM 0 HA ALA A 7 -27.319 -5.039 -14.667 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -26.602 -7.099 -15.828 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -27.773 -7.441 -14.533 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -28.297 -7.456 -16.233 1.00 0.00 H new ATOM 91 N LEU A 8 -28.436 -4.950 -17.820 1.00 0.00 N ATOM 92 CA LEU A 8 -28.412 -4.107 -19.049 1.00 0.00 C ATOM 93 C LEU A 8 -28.878 -2.630 -18.850 1.00 0.00 C ATOM 94 O LEU A 8 -28.236 -1.732 -19.399 1.00 0.00 O ATOM 95 CB LEU A 8 -29.192 -4.843 -20.177 1.00 0.00 C ATOM 96 CG LEU A 8 -29.157 -4.219 -21.604 1.00 0.00 C ATOM 97 CD1 LEU A 8 -27.739 -4.142 -22.207 1.00 0.00 C ATOM 98 CD2 LEU A 8 -30.094 -4.989 -22.555 1.00 0.00 C ATOM 0 H LEU A 8 -29.086 -5.734 -17.876 1.00 0.00 H new ATOM 0 HA LEU A 8 -27.368 -3.989 -19.340 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -28.804 -5.859 -20.245 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -30.235 -4.920 -19.869 1.00 0.00 H new ATOM 0 HG LEU A 8 -29.506 -3.192 -21.493 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -27.790 -3.697 -23.201 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -27.104 -3.529 -21.567 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -27.319 -5.145 -22.279 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -30.056 -4.538 -23.547 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -29.775 -6.029 -22.617 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -31.115 -4.944 -22.175 1.00 0.00 H new ATOM 110 N ASP A 9 -29.952 -2.385 -18.071 1.00 0.00 N ATOM 111 CA ASP A 9 -30.447 -1.018 -17.732 1.00 0.00 C ATOM 112 C ASP A 9 -29.394 -0.082 -17.047 1.00 0.00 C ATOM 113 O ASP A 9 -29.193 1.040 -17.522 1.00 0.00 O ATOM 114 CB ASP A 9 -31.751 -1.157 -16.897 1.00 0.00 C ATOM 115 CG ASP A 9 -32.571 0.134 -16.760 1.00 0.00 C ATOM 116 OD1 ASP A 9 -33.354 0.455 -17.681 1.00 0.00 O ATOM 117 OD2 ASP A 9 -32.429 0.834 -15.732 1.00 0.00 O ATOM 0 H ASP A 9 -30.510 -3.130 -17.653 1.00 0.00 H new ATOM 0 HA ASP A 9 -30.654 -0.506 -18.671 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -32.378 -1.922 -17.354 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -31.491 -1.513 -15.900 1.00 0.00 H new ATOM 122 N LYS A 10 -28.712 -0.553 -15.982 1.00 0.00 N ATOM 123 CA LYS A 10 -27.542 0.152 -15.377 1.00 0.00 C ATOM 124 C LYS A 10 -26.319 0.343 -16.332 1.00 0.00 C ATOM 125 O LYS A 10 -25.733 1.429 -16.345 1.00 0.00 O ATOM 126 CB LYS A 10 -27.114 -0.555 -14.063 1.00 0.00 C ATOM 127 CG LYS A 10 -28.116 -0.423 -12.893 1.00 0.00 C ATOM 128 CD LYS A 10 -27.639 -1.137 -11.610 1.00 0.00 C ATOM 129 CE LYS A 10 -28.662 -1.138 -10.456 1.00 0.00 C ATOM 130 NZ LYS A 10 -28.864 0.193 -9.852 1.00 0.00 N ATOM 0 H LYS A 10 -28.948 -1.427 -15.513 1.00 0.00 H new ATOM 0 HA LYS A 10 -27.887 1.164 -15.164 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -26.960 -1.614 -14.272 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -26.153 -0.149 -13.746 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -28.277 0.633 -12.677 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -29.078 -0.836 -13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -27.388 -2.169 -11.856 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -26.722 -0.660 -11.264 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -29.617 -1.509 -10.827 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -28.328 -1.832 -9.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -29.562 0.123 -9.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -27.962 0.541 -9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -29.211 0.854 -10.576 1.00 0.00 H new ATOM 144 N LEU A 11 -25.962 -0.666 -17.154 1.00 0.00 N ATOM 145 CA LEU A 11 -24.943 -0.529 -18.237 1.00 0.00 C ATOM 146 C LEU A 11 -25.211 0.577 -19.314 1.00 0.00 C ATOM 147 O LEU A 11 -24.235 1.101 -19.854 1.00 0.00 O ATOM 148 CB LEU A 11 -24.716 -1.954 -18.836 1.00 0.00 C ATOM 149 CG LEU A 11 -23.534 -2.241 -19.810 1.00 0.00 C ATOM 150 CD1 LEU A 11 -23.823 -1.871 -21.279 1.00 0.00 C ATOM 151 CD2 LEU A 11 -22.176 -1.681 -19.338 1.00 0.00 C ATOM 0 H LEU A 11 -26.366 -1.600 -17.093 1.00 0.00 H new ATOM 0 HA LEU A 11 -24.027 -0.143 -17.790 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -24.609 -2.639 -17.995 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -25.632 -2.230 -19.358 1.00 0.00 H new ATOM 0 HG LEU A 11 -23.443 -3.327 -19.780 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -22.951 -2.102 -21.891 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.679 -2.444 -21.637 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.044 -0.806 -21.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -21.407 -1.924 -20.072 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.246 -0.599 -19.231 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.914 -2.124 -18.377 1.00 0.00 H new ATOM 163 N LYS A 12 -26.473 0.966 -19.612 1.00 0.00 N ATOM 164 CA LYS A 12 -26.786 2.036 -20.605 1.00 0.00 C ATOM 165 C LYS A 12 -26.219 3.449 -20.254 1.00 0.00 C ATOM 166 O LYS A 12 -25.519 4.024 -21.092 1.00 0.00 O ATOM 167 CB LYS A 12 -28.314 2.137 -20.913 1.00 0.00 C ATOM 168 CG LYS A 12 -29.093 0.874 -21.358 1.00 0.00 C ATOM 169 CD LYS A 12 -28.489 0.029 -22.506 1.00 0.00 C ATOM 170 CE LYS A 12 -28.327 0.730 -23.870 1.00 0.00 C ATOM 171 NZ LYS A 12 -29.614 1.052 -24.517 1.00 0.00 N ATOM 0 H LYS A 12 -27.300 0.555 -19.179 1.00 0.00 H new ATOM 0 HA LYS A 12 -26.260 1.709 -21.502 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -28.802 2.522 -20.017 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -28.440 2.889 -21.692 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -29.209 0.227 -20.489 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -30.093 1.185 -21.659 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -27.509 -0.327 -22.188 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -29.117 -0.851 -22.648 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -27.757 1.649 -23.733 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -27.745 0.090 -24.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -29.437 1.521 -25.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -30.151 0.176 -24.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -30.162 1.687 -23.902 1.00 0.00 H new ATOM 185 N GLU A 13 -26.513 4.007 -19.056 1.00 0.00 N ATOM 186 CA GLU A 13 -26.113 5.397 -18.694 1.00 0.00 C ATOM 187 C GLU A 13 -24.599 5.585 -18.376 1.00 0.00 C ATOM 188 O GLU A 13 -23.970 6.434 -19.013 1.00 0.00 O ATOM 189 CB GLU A 13 -27.090 6.045 -17.668 1.00 0.00 C ATOM 190 CG GLU A 13 -27.013 5.675 -16.165 1.00 0.00 C ATOM 191 CD GLU A 13 -27.362 4.234 -15.774 1.00 0.00 C ATOM 192 OE1 GLU A 13 -28.318 3.653 -16.334 1.00 0.00 O ATOM 193 OE2 GLU A 13 -26.687 3.684 -14.877 1.00 0.00 O ATOM 0 H GLU A 13 -27.025 3.520 -18.321 1.00 0.00 H new ATOM 0 HA GLU A 13 -26.225 5.980 -19.608 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -26.962 7.125 -17.740 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -28.103 5.821 -18.003 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -26.000 5.882 -15.819 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -27.679 6.343 -15.619 1.00 0.00 H new ATOM 200 N PHE A 14 -24.005 4.798 -17.448 1.00 0.00 N ATOM 201 CA PHE A 14 -22.527 4.810 -17.211 1.00 0.00 C ATOM 202 C PHE A 14 -21.624 4.178 -18.323 1.00 0.00 C ATOM 203 O PHE A 14 -20.453 4.556 -18.416 1.00 0.00 O ATOM 204 CB PHE A 14 -22.150 4.334 -15.780 1.00 0.00 C ATOM 205 CG PHE A 14 -22.513 2.901 -15.337 1.00 0.00 C ATOM 206 CD1 PHE A 14 -21.877 1.786 -15.897 1.00 0.00 C ATOM 207 CD2 PHE A 14 -23.434 2.713 -14.301 1.00 0.00 C ATOM 208 CE1 PHE A 14 -22.178 0.504 -15.445 1.00 0.00 C ATOM 209 CE2 PHE A 14 -23.718 1.432 -13.836 1.00 0.00 C ATOM 210 CZ PHE A 14 -23.096 0.328 -14.414 1.00 0.00 C ATOM 0 H PHE A 14 -24.516 4.148 -16.851 1.00 0.00 H new ATOM 0 HA PHE A 14 -22.279 5.869 -17.288 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -21.071 4.446 -15.672 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -22.614 5.022 -15.074 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -21.149 1.921 -16.684 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -23.927 3.566 -13.860 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -21.699 -0.354 -15.894 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.420 1.294 -13.027 1.00 0.00 H new ATOM 0 HZ PHE A 14 -23.327 -0.666 -14.061 1.00 0.00 H new ATOM 220 N GLY A 15 -22.149 3.270 -19.175 1.00 0.00 N ATOM 221 CA GLY A 15 -21.475 2.867 -20.441 1.00 0.00 C ATOM 222 C GLY A 15 -21.294 4.008 -21.472 1.00 0.00 C ATOM 223 O GLY A 15 -20.163 4.270 -21.878 1.00 0.00 O ATOM 0 H GLY A 15 -23.039 2.798 -19.013 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -20.495 2.456 -20.199 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -22.051 2.066 -20.904 1.00 0.00 H new ATOM 227 N ASN A 16 -22.390 4.709 -21.831 1.00 0.00 N ATOM 228 CA ASN A 16 -22.344 5.988 -22.603 1.00 0.00 C ATOM 229 C ASN A 16 -21.485 7.150 -21.990 1.00 0.00 C ATOM 230 O ASN A 16 -20.877 7.903 -22.757 1.00 0.00 O ATOM 231 CB ASN A 16 -23.814 6.436 -22.850 1.00 0.00 C ATOM 232 CG ASN A 16 -23.995 7.496 -23.955 1.00 0.00 C ATOM 233 OD1 ASN A 16 -23.825 7.218 -25.142 1.00 0.00 O ATOM 234 ND2 ASN A 16 -24.339 8.724 -23.594 1.00 0.00 N ATOM 0 H ASN A 16 -23.337 4.411 -21.598 1.00 0.00 H new ATOM 0 HA ASN A 16 -21.813 5.774 -23.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -24.407 5.559 -23.108 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -24.219 6.831 -21.918 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -24.465 9.447 -24.302 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -24.478 8.946 -22.608 1.00 0.00 H new ATOM 241 N THR A 17 -21.403 7.279 -20.648 1.00 0.00 N ATOM 242 CA THR A 17 -20.419 8.168 -19.955 1.00 0.00 C ATOM 243 C THR A 17 -18.933 7.817 -20.304 1.00 0.00 C ATOM 244 O THR A 17 -18.199 8.709 -20.736 1.00 0.00 O ATOM 245 CB THR A 17 -20.713 8.172 -18.422 1.00 0.00 C ATOM 246 OG1 THR A 17 -22.061 8.567 -18.176 1.00 0.00 O ATOM 247 CG2 THR A 17 -19.822 9.099 -17.576 1.00 0.00 C ATOM 0 H THR A 17 -22.013 6.773 -20.006 1.00 0.00 H new ATOM 0 HA THR A 17 -20.547 9.185 -20.324 1.00 0.00 H new ATOM 0 HB THR A 17 -20.505 7.146 -18.118 1.00 0.00 H new ATOM 0 HG1 THR A 17 -22.668 7.852 -18.460 1.00 0.00 H new ATOM 0 HG21 THR A 17 -20.111 9.024 -16.528 1.00 0.00 H new ATOM 0 HG22 THR A 17 -18.779 8.802 -17.687 1.00 0.00 H new ATOM 0 HG23 THR A 17 -19.944 10.128 -17.914 1.00 0.00 H new ATOM 255 N LEU A 18 -18.518 6.537 -20.166 1.00 0.00 N ATOM 256 CA LEU A 18 -17.189 6.052 -20.659 1.00 0.00 C ATOM 257 C LEU A 18 -16.983 5.818 -22.194 1.00 0.00 C ATOM 258 O LEU A 18 -15.891 5.416 -22.604 1.00 0.00 O ATOM 259 CB LEU A 18 -16.646 4.920 -19.740 1.00 0.00 C ATOM 260 CG LEU A 18 -17.298 3.505 -19.782 1.00 0.00 C ATOM 261 CD1 LEU A 18 -16.851 2.661 -20.994 1.00 0.00 C ATOM 262 CD2 LEU A 18 -16.984 2.741 -18.480 1.00 0.00 C ATOM 0 H LEU A 18 -19.079 5.813 -19.718 1.00 0.00 H new ATOM 0 HA LEU A 18 -16.546 6.927 -20.564 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -15.587 4.796 -19.968 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -16.711 5.277 -18.712 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.372 3.663 -19.883 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -17.342 1.689 -20.961 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -17.124 3.175 -21.916 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -15.770 2.523 -20.962 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -17.443 1.753 -18.518 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -15.905 2.635 -18.372 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -17.382 3.294 -17.629 1.00 0.00 H new ATOM 274 N GLU A 19 -17.979 6.147 -23.033 1.00 0.00 N ATOM 275 CA GLU A 19 -17.803 6.326 -24.500 1.00 0.00 C ATOM 276 C GLU A 19 -17.159 7.710 -24.815 1.00 0.00 C ATOM 277 O GLU A 19 -16.049 7.742 -25.351 1.00 0.00 O ATOM 278 CB GLU A 19 -19.126 6.085 -25.278 1.00 0.00 C ATOM 279 CG GLU A 19 -19.673 4.640 -25.331 1.00 0.00 C ATOM 280 CD GLU A 19 -18.801 3.651 -26.111 1.00 0.00 C ATOM 281 OE1 GLU A 19 -18.905 3.604 -27.357 1.00 0.00 O ATOM 282 OE2 GLU A 19 -18.006 2.920 -25.480 1.00 0.00 O ATOM 0 H GLU A 19 -18.938 6.299 -22.720 1.00 0.00 H new ATOM 0 HA GLU A 19 -17.109 5.563 -24.852 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -19.895 6.719 -24.837 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -18.980 6.427 -26.303 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -19.790 4.273 -24.311 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -20.666 4.659 -25.779 1.00 0.00 H new ATOM 289 N ASP A 20 -17.814 8.833 -24.439 1.00 0.00 N ATOM 290 CA ASP A 20 -17.224 10.204 -24.525 1.00 0.00 C ATOM 291 C ASP A 20 -15.875 10.436 -23.772 1.00 0.00 C ATOM 292 O ASP A 20 -14.962 11.040 -24.340 1.00 0.00 O ATOM 293 CB ASP A 20 -18.295 11.275 -24.176 1.00 0.00 C ATOM 294 CG ASP A 20 -18.850 11.310 -22.739 1.00 0.00 C ATOM 295 OD1 ASP A 20 -18.231 11.957 -21.865 1.00 0.00 O ATOM 296 OD2 ASP A 20 -19.905 10.692 -22.483 1.00 0.00 O ATOM 0 H ASP A 20 -18.764 8.822 -24.068 1.00 0.00 H new ATOM 0 HA ASP A 20 -16.924 10.312 -25.567 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.869 12.255 -24.392 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -19.137 11.137 -24.855 1.00 0.00 H new ATOM 301 N LYS A 21 -15.753 9.932 -22.528 1.00 0.00 N ATOM 302 CA LYS A 21 -14.479 9.946 -21.750 1.00 0.00 C ATOM 303 C LYS A 21 -13.300 9.128 -22.364 1.00 0.00 C ATOM 304 O LYS A 21 -12.163 9.591 -22.263 1.00 0.00 O ATOM 305 CB LYS A 21 -14.736 9.495 -20.287 1.00 0.00 C ATOM 306 CG LYS A 21 -15.523 10.503 -19.414 1.00 0.00 C ATOM 307 CD LYS A 21 -15.820 10.014 -17.982 1.00 0.00 C ATOM 308 CE LYS A 21 -14.587 9.954 -17.059 1.00 0.00 C ATOM 309 NZ LYS A 21 -14.954 9.528 -15.697 1.00 0.00 N ATOM 0 H LYS A 21 -16.530 9.502 -22.026 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.147 10.984 -21.785 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.282 8.552 -20.305 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.776 9.299 -19.810 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -14.958 11.433 -19.357 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.467 10.733 -19.909 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.563 10.674 -17.533 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -16.267 9.021 -18.036 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -13.854 9.262 -17.473 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.112 10.934 -17.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -14.102 9.498 -15.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -15.635 10.203 -15.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.385 8.582 -15.733 1.00 0.00 H new ATOM 323 N ALA A 22 -13.532 7.956 -22.993 1.00 0.00 N ATOM 324 CA ALA A 22 -12.467 7.200 -23.710 1.00 0.00 C ATOM 325 C ALA A 22 -11.918 7.886 -24.994 1.00 0.00 C ATOM 326 O ALA A 22 -10.700 8.027 -25.110 1.00 0.00 O ATOM 327 CB ALA A 22 -12.958 5.775 -24.007 1.00 0.00 C ATOM 0 H ALA A 22 -14.447 7.507 -23.022 1.00 0.00 H new ATOM 0 HA ALA A 22 -11.611 7.174 -23.035 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.178 5.223 -24.532 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.194 5.269 -23.071 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.851 5.820 -24.630 1.00 0.00 H new ATOM 333 N ARG A 23 -12.782 8.345 -25.925 1.00 0.00 N ATOM 334 CA ARG A 23 -12.353 9.140 -27.115 1.00 0.00 C ATOM 335 C ARG A 23 -11.664 10.505 -26.779 1.00 0.00 C ATOM 336 O ARG A 23 -10.691 10.861 -27.451 1.00 0.00 O ATOM 337 CB ARG A 23 -13.532 9.338 -28.113 1.00 0.00 C ATOM 338 CG ARG A 23 -13.932 8.114 -28.978 1.00 0.00 C ATOM 339 CD ARG A 23 -14.754 7.032 -28.251 1.00 0.00 C ATOM 340 NE ARG A 23 -15.101 5.906 -29.148 1.00 0.00 N ATOM 341 CZ ARG A 23 -15.495 4.689 -28.722 1.00 0.00 C ATOM 342 NH1 ARG A 23 -15.581 4.339 -27.439 1.00 0.00 N ATOM 343 NH2 ARG A 23 -15.814 3.786 -29.631 1.00 0.00 N ATOM 0 H ARG A 23 -13.788 8.182 -25.882 1.00 0.00 H new ATOM 0 HA ARG A 23 -11.577 8.540 -27.591 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -14.408 9.653 -27.545 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.275 10.158 -28.784 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -14.506 8.468 -29.835 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -13.024 7.655 -29.370 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -14.187 6.656 -27.399 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -15.668 7.475 -27.855 1.00 0.00 H new ATOM 0 HE ARG A 23 -15.038 6.061 -30.154 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -15.341 5.011 -26.710 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -15.887 3.399 -27.186 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -15.758 4.019 -30.623 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -16.116 2.856 -29.342 1.00 0.00 H new ATOM 357 N GLU A 24 -12.112 11.224 -25.726 1.00 0.00 N ATOM 358 CA GLU A 24 -11.358 12.363 -25.136 1.00 0.00 C ATOM 359 C GLU A 24 -9.976 11.965 -24.525 1.00 0.00 C ATOM 360 O GLU A 24 -8.997 12.629 -24.867 1.00 0.00 O ATOM 361 CB GLU A 24 -12.279 13.112 -24.127 1.00 0.00 C ATOM 362 CG GLU A 24 -11.730 14.429 -23.523 1.00 0.00 C ATOM 363 CD GLU A 24 -11.458 15.540 -24.542 1.00 0.00 C ATOM 364 OE1 GLU A 24 -12.405 16.275 -24.906 1.00 0.00 O ATOM 365 OE2 GLU A 24 -10.298 15.682 -24.986 1.00 0.00 O ATOM 0 H GLU A 24 -13.000 11.036 -25.261 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.089 13.042 -25.945 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.221 13.335 -24.628 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.508 12.432 -23.307 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -12.443 14.799 -22.786 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -10.805 14.210 -22.990 1.00 0.00 H new ATOM 372 N LEU A 25 -9.881 10.926 -23.660 1.00 0.00 N ATOM 373 CA LEU A 25 -8.594 10.505 -23.034 1.00 0.00 C ATOM 374 C LEU A 25 -7.835 9.373 -23.814 1.00 0.00 C ATOM 375 O LEU A 25 -7.280 8.445 -23.221 1.00 0.00 O ATOM 376 CB LEU A 25 -8.802 10.184 -21.517 1.00 0.00 C ATOM 377 CG LEU A 25 -9.089 11.329 -20.496 1.00 0.00 C ATOM 378 CD1 LEU A 25 -8.086 12.499 -20.572 1.00 0.00 C ATOM 379 CD2 LEU A 25 -10.540 11.846 -20.504 1.00 0.00 C ATOM 0 H LEU A 25 -10.681 10.360 -23.376 1.00 0.00 H new ATOM 0 HA LEU A 25 -7.917 11.356 -23.104 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.629 9.477 -21.448 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.908 9.663 -21.173 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.942 10.840 -19.533 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.352 13.255 -19.833 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.081 12.130 -20.369 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -8.116 12.940 -21.568 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -10.648 12.639 -19.764 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.782 12.236 -21.493 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.219 11.029 -20.261 1.00 0.00 H new ATOM 391 N ILE A 26 -7.723 9.500 -25.149 1.00 0.00 N ATOM 392 CA ILE A 26 -6.651 8.882 -25.978 1.00 0.00 C ATOM 393 C ILE A 26 -5.950 10.042 -26.756 1.00 0.00 C ATOM 394 O ILE A 26 -4.731 10.158 -26.633 1.00 0.00 O ATOM 395 CB ILE A 26 -7.146 7.683 -26.863 1.00 0.00 C ATOM 396 CG1 ILE A 26 -7.705 6.546 -25.958 1.00 0.00 C ATOM 397 CG2 ILE A 26 -6.024 7.146 -27.795 1.00 0.00 C ATOM 398 CD1 ILE A 26 -8.224 5.283 -26.647 1.00 0.00 C ATOM 0 H ILE A 26 -8.385 10.045 -25.701 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.915 8.388 -25.344 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.946 8.051 -27.506 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.918 6.251 -25.264 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.517 6.961 -25.361 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.410 6.318 -28.389 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.690 7.943 -28.459 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.185 6.800 -27.192 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.581 4.579 -25.895 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -9.043 5.545 -27.318 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.418 4.824 -27.220 1.00 0.00 H new ATOM 410 N SER A 27 -6.673 10.897 -27.525 1.00 0.00 N ATOM 411 CA SER A 27 -6.121 12.165 -28.073 1.00 0.00 C ATOM 412 C SER A 27 -6.089 13.250 -26.951 1.00 0.00 C ATOM 413 O SER A 27 -7.074 13.952 -26.708 1.00 0.00 O ATOM 414 CB SER A 27 -6.959 12.577 -29.304 1.00 0.00 C ATOM 415 OG SER A 27 -6.405 13.730 -29.926 1.00 0.00 O ATOM 0 H SER A 27 -7.646 10.730 -27.781 1.00 0.00 H new ATOM 0 HA SER A 27 -5.091 12.039 -28.408 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.995 11.754 -30.018 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.986 12.780 -29.000 1.00 0.00 H new ATOM 0 HG SER A 27 -6.948 13.975 -30.704 1.00 0.00 H new ATOM 421 N ARG A 28 -4.943 13.286 -26.248 1.00 0.00 N ATOM 422 CA ARG A 28 -4.771 13.791 -24.848 1.00 0.00 C ATOM 423 C ARG A 28 -3.617 12.949 -24.222 1.00 0.00 C ATOM 424 O ARG A 28 -2.570 13.511 -23.885 1.00 0.00 O ATOM 425 CB ARG A 28 -6.003 13.798 -23.884 1.00 0.00 C ATOM 426 CG ARG A 28 -6.801 15.121 -23.825 1.00 0.00 C ATOM 427 CD ARG A 28 -6.235 16.185 -22.861 1.00 0.00 C ATOM 428 NE ARG A 28 -6.447 15.821 -21.437 1.00 0.00 N ATOM 429 CZ ARG A 28 -5.906 16.474 -20.392 1.00 0.00 C ATOM 430 NH1 ARG A 28 -5.086 17.518 -20.509 1.00 0.00 N ATOM 431 NH2 ARG A 28 -6.204 16.053 -19.177 1.00 0.00 N ATOM 0 H ARG A 28 -4.065 12.952 -26.646 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.572 14.858 -24.950 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -6.681 12.999 -24.185 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.656 13.559 -22.879 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.843 15.547 -24.827 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.826 14.896 -23.531 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -5.168 16.311 -23.047 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -6.709 17.145 -23.063 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.045 15.019 -21.237 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -4.834 17.867 -21.434 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.711 17.968 -19.674 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.827 15.255 -19.052 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.811 16.525 -18.363 1.00 0.00 H new ATOM 445 N ILE A 29 -3.806 11.614 -24.073 1.00 0.00 N ATOM 446 CA ILE A 29 -2.785 10.676 -23.539 1.00 0.00 C ATOM 447 C ILE A 29 -1.688 10.447 -24.635 1.00 0.00 C ATOM 448 O ILE A 29 -0.665 11.135 -24.592 1.00 0.00 O ATOM 449 CB ILE A 29 -3.504 9.436 -22.881 1.00 0.00 C ATOM 450 CG1 ILE A 29 -4.275 9.848 -21.583 1.00 0.00 C ATOM 451 CG2 ILE A 29 -2.557 8.242 -22.599 1.00 0.00 C ATOM 452 CD1 ILE A 29 -5.006 8.750 -20.792 1.00 0.00 C ATOM 0 H ILE A 29 -4.681 11.153 -24.323 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.207 11.069 -22.702 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.222 9.087 -23.624 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.563 10.325 -20.910 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -5.009 10.605 -21.858 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -3.123 7.428 -22.147 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.114 7.900 -23.534 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.767 8.557 -21.917 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.491 9.191 -19.921 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.757 8.282 -21.428 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.288 7.998 -20.465 1.00 0.00 H new ATOM 464 N LYS A 30 -1.891 9.521 -25.597 1.00 0.00 N ATOM 465 CA LYS A 30 -0.888 9.155 -26.648 1.00 0.00 C ATOM 466 C LYS A 30 0.501 8.702 -26.077 1.00 0.00 C ATOM 467 O LYS A 30 1.529 9.342 -26.324 1.00 0.00 O ATOM 468 CB LYS A 30 -0.761 10.230 -27.775 1.00 0.00 C ATOM 469 CG LYS A 30 -2.039 10.664 -28.533 1.00 0.00 C ATOM 470 CD LYS A 30 -2.841 9.556 -29.258 1.00 0.00 C ATOM 471 CE LYS A 30 -2.124 8.812 -30.405 1.00 0.00 C ATOM 472 NZ LYS A 30 -1.859 9.668 -31.578 1.00 0.00 N ATOM 0 H LYS A 30 -2.761 8.995 -25.676 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.299 8.265 -27.124 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.319 11.123 -27.332 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.051 9.855 -28.512 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -2.705 11.152 -27.821 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.756 11.414 -29.271 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.149 8.819 -28.516 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.750 10.003 -29.660 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.180 8.411 -30.035 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.732 7.962 -30.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.377 9.111 -32.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.759 10.031 -31.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.255 10.466 -31.296 1.00 0.00 H new ATOM 486 N GLN A 31 0.508 7.616 -25.270 1.00 0.00 N ATOM 487 CA GLN A 31 1.690 7.152 -24.484 1.00 0.00 C ATOM 488 C GLN A 31 2.418 8.238 -23.605 1.00 0.00 C ATOM 489 O GLN A 31 3.648 8.350 -23.616 1.00 0.00 O ATOM 490 CB GLN A 31 2.616 6.312 -25.410 1.00 0.00 C ATOM 491 CG GLN A 31 3.465 5.266 -24.664 1.00 0.00 C ATOM 492 CD GLN A 31 4.568 4.650 -25.540 1.00 0.00 C ATOM 493 OE1 GLN A 31 5.656 5.208 -25.679 1.00 0.00 O ATOM 494 NE2 GLN A 31 4.320 3.495 -26.138 1.00 0.00 N ATOM 0 H GLN A 31 -0.314 7.026 -25.140 1.00 0.00 H new ATOM 0 HA GLN A 31 1.316 6.505 -23.691 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.004 5.804 -26.155 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.281 6.986 -25.950 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.921 5.732 -23.791 1.00 0.00 H new ATOM 0 HG3 GLN A 31 2.814 4.472 -24.298 1.00 0.00 H new ATOM 0 HE21 GLN A 31 3.415 3.041 -26.016 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.034 3.059 -26.721 1.00 0.00 H new ATOM 503 N SER A 32 1.634 9.056 -22.874 1.00 0.00 N ATOM 504 CA SER A 32 2.121 10.279 -22.178 1.00 0.00 C ATOM 505 C SER A 32 1.001 10.805 -21.234 1.00 0.00 C ATOM 506 O SER A 32 -0.191 10.611 -21.487 1.00 0.00 O ATOM 507 CB SER A 32 2.545 11.381 -23.185 1.00 0.00 C ATOM 508 OG SER A 32 3.192 12.465 -22.529 1.00 0.00 O ATOM 0 H SER A 32 0.636 8.891 -22.745 1.00 0.00 H new ATOM 0 HA SER A 32 3.005 10.020 -21.595 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.214 10.955 -23.932 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.667 11.748 -23.716 1.00 0.00 H new ATOM 0 HG SER A 32 3.448 13.141 -23.190 1.00 0.00 H new ATOM 514 N GLU A 33 1.407 11.474 -20.138 1.00 0.00 N ATOM 515 CA GLU A 33 0.505 11.977 -19.055 1.00 0.00 C ATOM 516 C GLU A 33 -0.198 10.946 -18.118 1.00 0.00 C ATOM 517 O GLU A 33 -0.260 11.165 -16.904 1.00 0.00 O ATOM 518 CB GLU A 33 -0.354 13.232 -19.390 1.00 0.00 C ATOM 519 CG GLU A 33 -1.586 13.032 -20.306 1.00 0.00 C ATOM 520 CD GLU A 33 -2.551 14.219 -20.314 1.00 0.00 C ATOM 521 OE1 GLU A 33 -3.413 14.299 -19.412 1.00 0.00 O ATOM 522 OE2 GLU A 33 -2.462 15.072 -21.226 1.00 0.00 O ATOM 0 H GLU A 33 2.389 11.690 -19.966 1.00 0.00 H new ATOM 0 HA GLU A 33 1.286 12.351 -18.393 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.700 13.663 -18.451 1.00 0.00 H new ATOM 0 HB3 GLU A 33 0.297 13.970 -19.859 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.243 12.848 -21.324 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.125 12.140 -19.985 1.00 0.00 H new ATOM 529 N LEU A 34 -0.646 9.803 -18.660 1.00 0.00 N ATOM 530 CA LEU A 34 -0.709 8.524 -17.893 1.00 0.00 C ATOM 531 C LEU A 34 0.724 7.986 -17.575 1.00 0.00 C ATOM 532 O LEU A 34 0.997 7.641 -16.422 1.00 0.00 O ATOM 533 CB LEU A 34 -1.621 7.521 -18.662 1.00 0.00 C ATOM 534 CG LEU A 34 -1.899 6.098 -18.086 1.00 0.00 C ATOM 535 CD1 LEU A 34 -0.779 5.079 -18.387 1.00 0.00 C ATOM 536 CD2 LEU A 34 -2.273 6.081 -16.591 1.00 0.00 C ATOM 0 H LEU A 34 -0.972 9.726 -19.623 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.164 8.683 -16.915 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.587 8.006 -18.800 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.187 7.387 -19.653 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.786 5.775 -18.631 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.041 4.113 -17.956 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.661 4.976 -19.466 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.157 5.428 -17.952 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.450 5.054 -16.272 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.457 6.507 -16.007 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.177 6.670 -16.435 1.00 0.00 H new ATOM 548 N SER A 35 1.628 7.980 -18.577 1.00 0.00 N ATOM 549 CA SER A 35 3.085 7.910 -18.344 1.00 0.00 C ATOM 550 C SER A 35 3.633 9.370 -18.328 1.00 0.00 C ATOM 551 O SER A 35 3.159 10.168 -17.511 1.00 0.00 O ATOM 552 CB SER A 35 3.657 6.907 -19.367 1.00 0.00 C ATOM 553 OG SER A 35 5.056 6.743 -19.211 1.00 0.00 O ATOM 0 H SER A 35 1.371 8.023 -19.563 1.00 0.00 H new ATOM 0 HA SER A 35 3.400 7.513 -17.379 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.162 5.943 -19.248 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.441 7.254 -20.377 1.00 0.00 H new ATOM 0 HG SER A 35 5.514 7.060 -20.017 1.00 0.00 H new ATOM 559 N ALA A 36 4.659 9.703 -19.146 1.00 0.00 N ATOM 560 CA ALA A 36 5.585 10.871 -18.922 1.00 0.00 C ATOM 561 C ALA A 36 6.448 10.831 -17.616 1.00 0.00 C ATOM 562 O ALA A 36 7.662 11.037 -17.666 1.00 0.00 O ATOM 563 CB ALA A 36 4.889 12.230 -19.113 1.00 0.00 C ATOM 0 H ALA A 36 4.881 9.174 -19.989 1.00 0.00 H new ATOM 0 HA ALA A 36 6.318 10.753 -19.720 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.605 13.033 -18.939 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.504 12.302 -20.130 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.065 12.319 -18.406 1.00 0.00 H new ATOM 569 N LYS A 37 5.804 10.569 -16.467 1.00 0.00 N ATOM 570 CA LYS A 37 6.470 10.313 -15.160 1.00 0.00 C ATOM 571 C LYS A 37 7.068 8.873 -15.067 1.00 0.00 C ATOM 572 O LYS A 37 8.219 8.736 -14.644 1.00 0.00 O ATOM 573 CB LYS A 37 5.503 10.584 -13.970 1.00 0.00 C ATOM 574 CG LYS A 37 4.987 12.034 -13.783 1.00 0.00 C ATOM 575 CD LYS A 37 3.724 12.395 -14.602 1.00 0.00 C ATOM 576 CE LYS A 37 3.167 13.809 -14.349 1.00 0.00 C ATOM 577 NZ LYS A 37 4.021 14.876 -14.904 1.00 0.00 N ATOM 0 H LYS A 37 4.787 10.526 -16.409 1.00 0.00 H new ATOM 0 HA LYS A 37 7.303 11.013 -15.094 1.00 0.00 H new ATOM 0 HB2 LYS A 37 4.638 9.931 -14.084 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.008 10.286 -13.051 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.773 12.193 -12.726 1.00 0.00 H new ATOM 0 HG3 LYS A 37 5.786 12.725 -14.054 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.956 12.297 -15.662 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.944 11.668 -14.378 1.00 0.00 H new ATOM 0 HE2 LYS A 37 2.172 13.884 -14.787 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.056 13.962 -13.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.594 15.803 -14.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 4.964 14.827 -14.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.107 14.752 -15.933 1.00 0.00 H new ATOM 591 N MET A 38 6.326 7.821 -15.487 1.00 0.00 N ATOM 592 CA MET A 38 6.886 6.462 -15.722 1.00 0.00 C ATOM 593 C MET A 38 8.007 6.401 -16.809 1.00 0.00 C ATOM 594 O MET A 38 9.007 5.724 -16.563 1.00 0.00 O ATOM 595 CB MET A 38 5.767 5.438 -16.061 1.00 0.00 C ATOM 596 CG MET A 38 4.677 5.203 -14.998 1.00 0.00 C ATOM 597 SD MET A 38 5.381 4.759 -13.388 1.00 0.00 S ATOM 598 CE MET A 38 6.161 3.158 -13.697 1.00 0.00 C ATOM 0 H MET A 38 5.325 7.886 -15.673 1.00 0.00 H new ATOM 0 HA MET A 38 7.359 6.193 -14.778 1.00 0.00 H new ATOM 0 HB2 MET A 38 5.278 5.765 -16.979 1.00 0.00 H new ATOM 0 HB3 MET A 38 6.241 4.480 -16.276 1.00 0.00 H new ATOM 0 HG2 MET A 38 4.073 6.104 -14.893 1.00 0.00 H new ATOM 0 HG3 MET A 38 4.009 4.409 -15.333 1.00 0.00 H new ATOM 0 HE1 MET A 38 6.545 2.753 -12.760 1.00 0.00 H new ATOM 0 HE2 MET A 38 5.426 2.470 -14.116 1.00 0.00 H new ATOM 0 HE3 MET A 38 6.983 3.284 -14.402 1.00 0.00 H new ATOM 608 N ARG A 39 7.872 7.085 -17.972 1.00 0.00 N ATOM 609 CA ARG A 39 8.918 7.092 -19.039 1.00 0.00 C ATOM 610 C ARG A 39 9.824 8.336 -18.823 1.00 0.00 C ATOM 611 O ARG A 39 9.535 9.438 -19.298 1.00 0.00 O ATOM 612 CB ARG A 39 8.249 7.036 -20.440 1.00 0.00 C ATOM 613 CG ARG A 39 7.670 5.645 -20.786 1.00 0.00 C ATOM 614 CD ARG A 39 6.820 5.621 -22.069 1.00 0.00 C ATOM 615 NE ARG A 39 6.201 4.278 -22.266 1.00 0.00 N ATOM 616 CZ ARG A 39 6.753 3.272 -22.974 1.00 0.00 C ATOM 617 NH1 ARG A 39 7.910 3.364 -23.628 1.00 0.00 N ATOM 618 NH2 ARG A 39 6.107 2.122 -23.022 1.00 0.00 N ATOM 0 H ARG A 39 7.049 7.642 -18.200 1.00 0.00 H new ATOM 0 HA ARG A 39 9.555 6.209 -18.982 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.449 7.776 -20.483 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.982 7.315 -21.197 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.492 4.937 -20.894 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.060 5.299 -19.952 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.041 6.381 -22.009 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.443 5.870 -22.928 1.00 0.00 H new ATOM 0 HE ARG A 39 5.293 4.108 -21.833 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.437 4.237 -23.612 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.269 2.561 -24.145 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.219 2.015 -22.532 1.00 0.00 H new ATOM 0 HH22 ARG A 39 6.496 1.340 -23.549 1.00 0.00 H new ATOM 632 N GLU A 40 10.884 8.112 -18.024 1.00 0.00 N ATOM 633 CA GLU A 40 11.565 9.123 -17.155 1.00 0.00 C ATOM 634 C GLU A 40 12.142 8.288 -15.965 1.00 0.00 C ATOM 635 O GLU A 40 13.362 8.125 -15.869 1.00 0.00 O ATOM 636 CB GLU A 40 10.741 10.369 -16.702 1.00 0.00 C ATOM 637 CG GLU A 40 11.436 11.362 -15.747 1.00 0.00 C ATOM 638 CD GLU A 40 10.500 12.499 -15.326 1.00 0.00 C ATOM 639 OE1 GLU A 40 9.721 12.316 -14.365 1.00 0.00 O ATOM 640 OE2 GLU A 40 10.535 13.577 -15.959 1.00 0.00 O ATOM 0 H GLU A 40 11.315 7.190 -17.955 1.00 0.00 H new ATOM 0 HA GLU A 40 12.329 9.634 -17.741 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.436 10.915 -17.594 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.831 10.015 -16.218 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.784 10.831 -14.861 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.317 11.779 -16.235 1.00 0.00 H new ATOM 647 N TRP A 41 11.261 7.730 -15.101 1.00 0.00 N ATOM 648 CA TRP A 41 11.615 6.688 -14.099 1.00 0.00 C ATOM 649 C TRP A 41 12.247 5.373 -14.673 1.00 0.00 C ATOM 650 O TRP A 41 13.122 4.814 -14.010 1.00 0.00 O ATOM 651 CB TRP A 41 10.330 6.409 -13.267 1.00 0.00 C ATOM 652 CG TRP A 41 10.477 5.462 -12.068 1.00 0.00 C ATOM 653 CD1 TRP A 41 10.654 5.843 -10.723 1.00 0.00 C ATOM 654 CD2 TRP A 41 10.412 4.077 -12.057 1.00 0.00 C ATOM 655 NE1 TRP A 41 10.698 4.728 -9.865 1.00 0.00 N ATOM 656 CE2 TRP A 41 10.539 3.644 -10.713 1.00 0.00 C ATOM 657 CE3 TRP A 41 10.281 3.131 -13.109 1.00 0.00 C ATOM 658 CZ2 TRP A 41 10.516 2.262 -10.408 1.00 0.00 C ATOM 659 CZ3 TRP A 41 10.263 1.775 -12.781 1.00 0.00 C ATOM 660 CH2 TRP A 41 10.371 1.347 -11.453 1.00 0.00 C ATOM 0 H TRP A 41 10.275 7.991 -15.077 1.00 0.00 H new ATOM 0 HA TRP A 41 12.424 7.077 -13.481 1.00 0.00 H new ATOM 0 HB2 TRP A 41 9.947 7.362 -12.903 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.575 5.996 -13.936 1.00 0.00 H new ATOM 0 HD1 TRP A 41 10.745 6.867 -10.391 1.00 0.00 H new ATOM 0 HE1 TRP A 41 10.819 4.720 -8.852 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.197 3.453 -14.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 10.609 1.922 -9.387 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 10.164 1.041 -13.567 1.00 0.00 H new ATOM 0 HH2 TRP A 41 10.342 0.290 -11.232 1.00 0.00 H new ATOM 671 N PHE A 42 11.799 4.855 -15.840 1.00 0.00 N ATOM 672 CA PHE A 42 12.382 3.622 -16.460 1.00 0.00 C ATOM 673 C PHE A 42 13.865 3.795 -16.923 1.00 0.00 C ATOM 674 O PHE A 42 14.673 2.889 -16.709 1.00 0.00 O ATOM 675 CB PHE A 42 11.537 3.080 -17.653 1.00 0.00 C ATOM 676 CG PHE A 42 10.120 2.534 -17.376 1.00 0.00 C ATOM 677 CD1 PHE A 42 9.913 1.483 -16.472 1.00 0.00 C ATOM 678 CD2 PHE A 42 9.028 3.032 -18.097 1.00 0.00 C ATOM 679 CE1 PHE A 42 8.631 0.991 -16.245 1.00 0.00 C ATOM 680 CE2 PHE A 42 7.747 2.536 -17.871 1.00 0.00 C ATOM 681 CZ PHE A 42 7.548 1.522 -16.941 1.00 0.00 C ATOM 0 H PHE A 42 11.036 5.265 -16.378 1.00 0.00 H new ATOM 0 HA PHE A 42 12.360 2.891 -15.652 1.00 0.00 H new ATOM 0 HB2 PHE A 42 11.443 3.884 -18.383 1.00 0.00 H new ATOM 0 HB3 PHE A 42 12.110 2.284 -18.128 1.00 0.00 H new ATOM 0 HD1 PHE A 42 10.754 1.052 -15.948 1.00 0.00 H new ATOM 0 HD2 PHE A 42 9.181 3.807 -18.834 1.00 0.00 H new ATOM 0 HE1 PHE A 42 8.476 0.197 -15.529 1.00 0.00 H new ATOM 0 HE2 PHE A 42 6.908 2.939 -18.418 1.00 0.00 H new ATOM 0 HZ PHE A 42 6.552 1.146 -16.758 1.00 0.00 H new ATOM 691 N SER A 43 14.204 4.955 -17.527 1.00 0.00 N ATOM 692 CA SER A 43 15.608 5.347 -17.815 1.00 0.00 C ATOM 693 C SER A 43 16.183 6.198 -16.640 1.00 0.00 C ATOM 694 O SER A 43 16.291 7.426 -16.711 1.00 0.00 O ATOM 695 CB SER A 43 15.650 6.056 -19.188 1.00 0.00 C ATOM 696 OG SER A 43 16.992 6.335 -19.568 1.00 0.00 O ATOM 0 H SER A 43 13.517 5.646 -17.829 1.00 0.00 H new ATOM 0 HA SER A 43 16.256 4.473 -17.884 1.00 0.00 H new ATOM 0 HB2 SER A 43 15.176 5.428 -19.942 1.00 0.00 H new ATOM 0 HB3 SER A 43 15.079 6.984 -19.142 1.00 0.00 H new ATOM 0 HG SER A 43 16.999 6.782 -20.440 1.00 0.00 H new ATOM 702 N GLU A 44 16.508 5.489 -15.547 1.00 0.00 N ATOM 703 CA GLU A 44 16.817 6.043 -14.194 1.00 0.00 C ATOM 704 C GLU A 44 16.972 4.794 -13.269 1.00 0.00 C ATOM 705 O GLU A 44 18.069 4.534 -12.769 1.00 0.00 O ATOM 706 CB GLU A 44 15.805 7.122 -13.676 1.00 0.00 C ATOM 707 CG GLU A 44 15.945 7.637 -12.224 1.00 0.00 C ATOM 708 CD GLU A 44 15.253 6.767 -11.166 1.00 0.00 C ATOM 709 OE1 GLU A 44 14.004 6.687 -11.165 1.00 0.00 O ATOM 710 OE2 GLU A 44 15.956 6.151 -10.335 1.00 0.00 O ATOM 0 H GLU A 44 16.569 4.471 -15.570 1.00 0.00 H new ATOM 0 HA GLU A 44 17.735 6.630 -14.215 1.00 0.00 H new ATOM 0 HB2 GLU A 44 15.872 7.984 -14.340 1.00 0.00 H new ATOM 0 HB3 GLU A 44 14.801 6.713 -13.786 1.00 0.00 H new ATOM 0 HG2 GLU A 44 17.005 7.709 -11.979 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.536 8.646 -12.170 1.00 0.00 H new ATOM 717 N THR A 45 15.882 4.018 -13.072 1.00 0.00 N ATOM 718 CA THR A 45 15.903 2.689 -12.403 1.00 0.00 C ATOM 719 C THR A 45 16.702 1.621 -13.219 1.00 0.00 C ATOM 720 O THR A 45 17.630 1.028 -12.669 1.00 0.00 O ATOM 721 CB THR A 45 14.437 2.277 -12.071 1.00 0.00 C ATOM 722 OG1 THR A 45 13.819 3.260 -11.242 1.00 0.00 O ATOM 723 CG2 THR A 45 14.280 0.923 -11.360 1.00 0.00 C ATOM 0 H THR A 45 14.949 4.297 -13.376 1.00 0.00 H new ATOM 0 HA THR A 45 16.452 2.756 -11.464 1.00 0.00 H new ATOM 0 HB THR A 45 13.960 2.192 -13.048 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.850 3.117 -11.232 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.223 0.730 -11.174 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.688 0.132 -11.989 1.00 0.00 H new ATOM 0 HG23 THR A 45 14.817 0.946 -10.412 1.00 0.00 H new ATOM 731 N PHE A 46 16.352 1.386 -14.502 1.00 0.00 N ATOM 732 CA PHE A 46 17.082 0.453 -15.395 1.00 0.00 C ATOM 733 C PHE A 46 18.083 1.287 -16.233 1.00 0.00 C ATOM 734 O PHE A 46 17.729 2.164 -17.026 1.00 0.00 O ATOM 735 CB PHE A 46 16.075 -0.336 -16.258 1.00 0.00 C ATOM 736 CG PHE A 46 16.594 -1.573 -17.015 1.00 0.00 C ATOM 737 CD1 PHE A 46 17.097 -2.675 -16.311 1.00 0.00 C ATOM 738 CD2 PHE A 46 16.459 -1.655 -18.405 1.00 0.00 C ATOM 739 CE1 PHE A 46 17.469 -3.834 -16.988 1.00 0.00 C ATOM 740 CE2 PHE A 46 16.819 -2.820 -19.080 1.00 0.00 C ATOM 741 CZ PHE A 46 17.322 -3.907 -18.370 1.00 0.00 C ATOM 0 H PHE A 46 15.555 1.837 -14.951 1.00 0.00 H new ATOM 0 HA PHE A 46 17.646 -0.290 -14.831 1.00 0.00 H new ATOM 0 HB2 PHE A 46 15.259 -0.657 -15.611 1.00 0.00 H new ATOM 0 HB3 PHE A 46 15.650 0.351 -16.990 1.00 0.00 H new ATOM 0 HD1 PHE A 46 17.197 -2.625 -15.237 1.00 0.00 H new ATOM 0 HD2 PHE A 46 16.074 -0.811 -18.958 1.00 0.00 H new ATOM 0 HE1 PHE A 46 17.871 -4.674 -16.442 1.00 0.00 H new ATOM 0 HE2 PHE A 46 16.708 -2.880 -20.153 1.00 0.00 H new ATOM 0 HZ PHE A 46 17.599 -4.810 -18.894 1.00 0.00 H new ATOM 751 N GLN A 47 19.336 0.962 -15.933 1.00 0.00 N ATOM 752 CA GLN A 47 20.551 1.830 -16.050 1.00 0.00 C ATOM 753 C GLN A 47 21.332 1.876 -14.699 1.00 0.00 C ATOM 754 O GLN A 47 22.535 1.598 -14.690 1.00 0.00 O ATOM 755 CB GLN A 47 20.492 3.197 -16.795 1.00 0.00 C ATOM 756 CG GLN A 47 19.775 4.390 -16.114 1.00 0.00 C ATOM 757 CD GLN A 47 20.663 5.318 -15.265 1.00 0.00 C ATOM 758 OE1 GLN A 47 20.689 5.242 -14.038 1.00 0.00 O ATOM 759 NE2 GLN A 47 21.392 6.227 -15.894 1.00 0.00 N ATOM 0 H GLN A 47 19.568 0.034 -15.578 1.00 0.00 H new ATOM 0 HA GLN A 47 21.121 1.295 -16.810 1.00 0.00 H new ATOM 0 HB2 GLN A 47 21.517 3.504 -17.003 1.00 0.00 H new ATOM 0 HB3 GLN A 47 20.009 3.028 -17.757 1.00 0.00 H new ATOM 0 HG2 GLN A 47 19.294 4.989 -16.888 1.00 0.00 H new ATOM 0 HG3 GLN A 47 18.983 3.996 -15.477 1.00 0.00 H new ATOM 0 HE21 GLN A 47 21.367 6.286 -16.912 1.00 0.00 H new ATOM 0 HE22 GLN A 47 21.979 6.868 -15.361 1.00 0.00 H new ATOM 768 N LYS A 48 20.656 2.166 -13.563 1.00 0.00 N ATOM 769 CA LYS A 48 21.175 1.851 -12.198 1.00 0.00 C ATOM 770 C LYS A 48 21.337 0.317 -11.920 1.00 0.00 C ATOM 771 O LYS A 48 22.325 -0.065 -11.286 1.00 0.00 O ATOM 772 CB LYS A 48 20.309 2.616 -11.157 1.00 0.00 C ATOM 773 CG LYS A 48 20.794 2.640 -9.686 1.00 0.00 C ATOM 774 CD LYS A 48 20.466 1.427 -8.780 1.00 0.00 C ATOM 775 CE LYS A 48 18.962 1.184 -8.476 1.00 0.00 C ATOM 776 NZ LYS A 48 18.295 0.355 -9.497 1.00 0.00 N ATOM 0 H LYS A 48 19.743 2.621 -13.559 1.00 0.00 H new ATOM 0 HA LYS A 48 22.202 2.205 -12.112 1.00 0.00 H new ATOM 0 HB2 LYS A 48 20.215 3.648 -11.495 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.309 2.183 -11.172 1.00 0.00 H new ATOM 0 HG2 LYS A 48 21.877 2.763 -9.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.376 3.529 -9.214 1.00 0.00 H new ATOM 0 HD2 LYS A 48 20.870 0.530 -9.249 1.00 0.00 H new ATOM 0 HD3 LYS A 48 20.990 1.555 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.867 0.700 -7.504 1.00 0.00 H new ATOM 0 HE3 LYS A 48 18.451 2.144 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 17.418 0.822 -9.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 18.928 0.234 -10.313 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 18.068 -0.576 -9.094 1.00 0.00 H new ATOM 790 N VAL A 49 20.442 -0.558 -12.437 1.00 0.00 N ATOM 791 CA VAL A 49 20.699 -2.030 -12.551 1.00 0.00 C ATOM 792 C VAL A 49 21.968 -2.342 -13.414 1.00 0.00 C ATOM 793 O VAL A 49 22.831 -3.079 -12.935 1.00 0.00 O ATOM 794 CB VAL A 49 19.463 -2.838 -13.078 1.00 0.00 C ATOM 795 CG1 VAL A 49 19.658 -4.374 -13.028 1.00 0.00 C ATOM 796 CG2 VAL A 49 18.125 -2.528 -12.362 1.00 0.00 C ATOM 0 H VAL A 49 19.526 -0.276 -12.787 1.00 0.00 H new ATOM 0 HA VAL A 49 20.887 -2.366 -11.531 1.00 0.00 H new ATOM 0 HB VAL A 49 19.400 -2.495 -14.111 1.00 0.00 H new ATOM 0 HG11 VAL A 49 18.763 -4.867 -13.408 1.00 0.00 H new ATOM 0 HG12 VAL A 49 20.514 -4.652 -13.643 1.00 0.00 H new ATOM 0 HG13 VAL A 49 19.834 -4.685 -11.998 1.00 0.00 H new ATOM 0 HG21 VAL A 49 17.331 -3.135 -12.796 1.00 0.00 H new ATOM 0 HG22 VAL A 49 18.219 -2.758 -11.301 1.00 0.00 H new ATOM 0 HG23 VAL A 49 17.883 -1.472 -12.485 1.00 0.00 H new ATOM 806 N LYS A 50 22.062 -1.807 -14.654 1.00 0.00 N ATOM 807 CA LYS A 50 23.135 -2.163 -15.625 1.00 0.00 C ATOM 808 C LYS A 50 24.597 -1.914 -15.139 1.00 0.00 C ATOM 809 O LYS A 50 25.426 -2.826 -15.221 1.00 0.00 O ATOM 810 CB LYS A 50 22.922 -1.456 -16.994 1.00 0.00 C ATOM 811 CG LYS A 50 21.639 -1.822 -17.770 1.00 0.00 C ATOM 812 CD LYS A 50 21.460 -0.939 -19.024 1.00 0.00 C ATOM 813 CE LYS A 50 20.147 -1.153 -19.795 1.00 0.00 C ATOM 814 NZ LYS A 50 20.132 -2.408 -20.566 1.00 0.00 N ATOM 0 H LYS A 50 21.401 -1.118 -15.013 1.00 0.00 H new ATOM 0 HA LYS A 50 23.034 -3.243 -15.730 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.922 -0.379 -16.825 1.00 0.00 H new ATOM 0 HB3 LYS A 50 23.779 -1.679 -17.629 1.00 0.00 H new ATOM 0 HG2 LYS A 50 21.679 -2.870 -18.066 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.774 -1.707 -17.117 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.519 0.107 -18.723 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.294 -1.124 -19.701 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.315 -1.155 -19.091 1.00 0.00 H new ATOM 0 HE3 LYS A 50 19.989 -0.314 -20.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.260 -2.458 -21.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.957 -2.436 -21.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 20.169 -3.217 -19.913 1.00 0.00 H new ATOM 828 N GLU A 51 24.887 -0.707 -14.607 1.00 0.00 N ATOM 829 CA GLU A 51 26.182 -0.381 -13.936 1.00 0.00 C ATOM 830 C GLU A 51 26.641 -1.281 -12.739 1.00 0.00 C ATOM 831 O GLU A 51 27.847 -1.381 -12.500 1.00 0.00 O ATOM 832 CB GLU A 51 26.200 1.132 -13.565 1.00 0.00 C ATOM 833 CG GLU A 51 25.290 1.586 -12.395 1.00 0.00 C ATOM 834 CD GLU A 51 25.227 3.106 -12.235 1.00 0.00 C ATOM 835 OE1 GLU A 51 24.379 3.747 -12.896 1.00 0.00 O ATOM 836 OE2 GLU A 51 26.019 3.665 -11.446 1.00 0.00 O ATOM 0 H GLU A 51 24.234 0.076 -14.626 1.00 0.00 H new ATOM 0 HA GLU A 51 26.939 -0.622 -14.682 1.00 0.00 H new ATOM 0 HB2 GLU A 51 27.226 1.408 -13.321 1.00 0.00 H new ATOM 0 HB3 GLU A 51 25.919 1.700 -14.452 1.00 0.00 H new ATOM 0 HG2 GLU A 51 24.283 1.202 -12.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 25.654 1.144 -11.467 1.00 0.00 H new ATOM 843 N LYS A 52 25.704 -1.921 -12.006 1.00 0.00 N ATOM 844 CA LYS A 52 26.030 -2.872 -10.907 1.00 0.00 C ATOM 845 C LYS A 52 26.243 -4.311 -11.469 1.00 0.00 C ATOM 846 O LYS A 52 27.342 -4.857 -11.332 1.00 0.00 O ATOM 847 CB LYS A 52 24.957 -2.813 -9.778 1.00 0.00 C ATOM 848 CG LYS A 52 24.715 -1.448 -9.089 1.00 0.00 C ATOM 849 CD LYS A 52 25.916 -0.882 -8.305 1.00 0.00 C ATOM 850 CE LYS A 52 25.596 0.474 -7.650 1.00 0.00 C ATOM 851 NZ LYS A 52 26.756 1.006 -6.915 1.00 0.00 N ATOM 0 H LYS A 52 24.702 -1.797 -12.154 1.00 0.00 H new ATOM 0 HA LYS A 52 26.972 -2.571 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 52 24.009 -3.150 -10.198 1.00 0.00 H new ATOM 0 HB3 LYS A 52 25.239 -3.532 -9.009 1.00 0.00 H new ATOM 0 HG2 LYS A 52 24.424 -0.723 -9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 52 23.872 -1.549 -8.406 1.00 0.00 H new ATOM 0 HD2 LYS A 52 26.213 -1.594 -7.535 1.00 0.00 H new ATOM 0 HD3 LYS A 52 26.766 -0.767 -8.978 1.00 0.00 H new ATOM 0 HE2 LYS A 52 25.292 1.187 -8.417 1.00 0.00 H new ATOM 0 HE3 LYS A 52 24.753 0.360 -6.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.506 1.920 -6.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 27.030 0.337 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.552 1.138 -7.571 1.00 0.00 H new ATOM 865 N LEU A 53 25.213 -4.898 -12.111 1.00 0.00 N ATOM 866 CA LEU A 53 25.306 -6.183 -12.852 1.00 0.00 C ATOM 867 C LEU A 53 24.651 -5.982 -14.262 1.00 0.00 C ATOM 868 O LEU A 53 23.547 -5.427 -14.335 1.00 0.00 O ATOM 869 CB LEU A 53 24.771 -7.373 -12.004 1.00 0.00 C ATOM 870 CG LEU A 53 23.244 -7.599 -11.933 1.00 0.00 C ATOM 871 CD1 LEU A 53 22.913 -8.971 -11.315 1.00 0.00 C ATOM 872 CD2 LEU A 53 22.456 -6.488 -11.205 1.00 0.00 C ATOM 0 H LEU A 53 24.278 -4.491 -12.133 1.00 0.00 H new ATOM 0 HA LEU A 53 26.342 -6.470 -13.033 1.00 0.00 H new ATOM 0 HB2 LEU A 53 25.224 -8.286 -12.391 1.00 0.00 H new ATOM 0 HB3 LEU A 53 25.135 -7.244 -10.985 1.00 0.00 H new ATOM 0 HG LEU A 53 22.913 -7.568 -12.971 1.00 0.00 H new ATOM 0 HD11 LEU A 53 21.832 -9.102 -11.278 1.00 0.00 H new ATOM 0 HD12 LEU A 53 23.353 -9.760 -11.924 1.00 0.00 H new ATOM 0 HD13 LEU A 53 23.320 -9.023 -10.305 1.00 0.00 H new ATOM 0 HD21 LEU A 53 21.394 -6.735 -11.206 1.00 0.00 H new ATOM 0 HD22 LEU A 53 22.808 -6.406 -10.177 1.00 0.00 H new ATOM 0 HD23 LEU A 53 22.608 -5.538 -11.718 1.00 0.00 H new ATOM 884 N LYS A 54 25.283 -6.405 -15.386 1.00 0.00 N ATOM 885 CA LYS A 54 24.787 -6.065 -16.750 1.00 0.00 C ATOM 886 C LYS A 54 23.586 -6.977 -17.139 1.00 0.00 C ATOM 887 O LYS A 54 23.751 -8.175 -17.387 1.00 0.00 O ATOM 888 CB LYS A 54 25.952 -6.128 -17.776 1.00 0.00 C ATOM 889 CG LYS A 54 25.599 -5.563 -19.171 1.00 0.00 C ATOM 890 CD LYS A 54 26.780 -5.606 -20.159 1.00 0.00 C ATOM 891 CE LYS A 54 26.403 -5.058 -21.547 1.00 0.00 C ATOM 892 NZ LYS A 54 27.547 -5.102 -22.475 1.00 0.00 N ATOM 0 H LYS A 54 26.128 -6.976 -15.379 1.00 0.00 H new ATOM 0 HA LYS A 54 24.414 -5.041 -16.756 1.00 0.00 H new ATOM 0 HB2 LYS A 54 26.803 -5.575 -17.377 1.00 0.00 H new ATOM 0 HB3 LYS A 54 26.269 -7.165 -17.886 1.00 0.00 H new ATOM 0 HG2 LYS A 54 24.766 -6.130 -19.586 1.00 0.00 H new ATOM 0 HG3 LYS A 54 25.261 -4.532 -19.064 1.00 0.00 H new ATOM 0 HD2 LYS A 54 27.610 -5.026 -19.755 1.00 0.00 H new ATOM 0 HD3 LYS A 54 27.129 -6.634 -20.259 1.00 0.00 H new ATOM 0 HE2 LYS A 54 25.578 -5.640 -21.957 1.00 0.00 H new ATOM 0 HE3 LYS A 54 26.051 -4.031 -21.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 27.258 -4.726 -23.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 28.325 -4.526 -22.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 27.866 -6.085 -22.586 1.00 0.00 H new ATOM 906 N ILE A 55 22.388 -6.367 -17.180 1.00 0.00 N ATOM 907 CA ILE A 55 21.132 -7.043 -17.603 1.00 0.00 C ATOM 908 C ILE A 55 20.661 -6.223 -18.837 1.00 0.00 C ATOM 909 O ILE A 55 20.230 -5.073 -18.705 1.00 0.00 O ATOM 910 CB ILE A 55 20.094 -7.166 -16.431 1.00 0.00 C ATOM 911 CG1 ILE A 55 20.630 -8.133 -15.329 1.00 0.00 C ATOM 912 CG2 ILE A 55 18.701 -7.641 -16.926 1.00 0.00 C ATOM 913 CD1 ILE A 55 19.815 -8.211 -14.036 1.00 0.00 C ATOM 0 H ILE A 55 22.255 -5.389 -16.922 1.00 0.00 H new ATOM 0 HA ILE A 55 21.271 -8.089 -17.877 1.00 0.00 H new ATOM 0 HB ILE A 55 19.968 -6.169 -16.008 1.00 0.00 H new ATOM 0 HG12 ILE A 55 20.692 -9.135 -15.754 1.00 0.00 H new ATOM 0 HG13 ILE A 55 21.646 -7.831 -15.075 1.00 0.00 H new ATOM 0 HG21 ILE A 55 18.018 -7.711 -16.079 1.00 0.00 H new ATOM 0 HG22 ILE A 55 18.309 -6.927 -17.650 1.00 0.00 H new ATOM 0 HG23 ILE A 55 18.796 -8.620 -17.397 1.00 0.00 H new ATOM 0 HD11 ILE A 55 20.287 -8.914 -13.350 1.00 0.00 H new ATOM 0 HD12 ILE A 55 19.773 -7.225 -13.573 1.00 0.00 H new ATOM 0 HD13 ILE A 55 18.804 -8.549 -14.263 1.00 0.00 H new ATOM 925 N ASP A 56 20.745 -6.842 -20.026 1.00 0.00 N ATOM 926 CA ASP A 56 20.379 -6.186 -21.317 1.00 0.00 C ATOM 927 C ASP A 56 18.838 -6.034 -21.509 1.00 0.00 C ATOM 928 O ASP A 56 18.360 -4.896 -21.552 1.00 0.00 O ATOM 929 CB ASP A 56 21.074 -6.891 -22.517 1.00 0.00 C ATOM 930 CG ASP A 56 22.601 -6.718 -22.571 1.00 0.00 C ATOM 931 OD1 ASP A 56 23.076 -5.726 -23.167 1.00 0.00 O ATOM 932 OD2 ASP A 56 23.328 -7.570 -22.012 1.00 0.00 O ATOM 0 H ASP A 56 21.065 -7.805 -20.132 1.00 0.00 H new ATOM 0 HA ASP A 56 20.759 -5.165 -21.278 1.00 0.00 H new ATOM 0 HB2 ASP A 56 20.844 -7.956 -22.477 1.00 0.00 H new ATOM 0 HB3 ASP A 56 20.646 -6.507 -23.443 1.00 0.00 H new ATOM 937 N SER A 57 18.062 -7.138 -21.602 1.00 0.00 N ATOM 938 CA SER A 57 16.581 -7.080 -21.720 1.00 0.00 C ATOM 939 C SER A 57 15.901 -6.855 -20.349 1.00 0.00 C ATOM 940 O SER A 57 16.106 -7.660 -19.410 1.00 0.00 O ATOM 941 CB SER A 57 16.050 -8.341 -22.439 1.00 0.00 C ATOM 942 OG SER A 57 16.334 -9.541 -21.723 1.00 0.00 O ATOM 943 OXT SER A 57 15.161 -5.857 -20.208 1.00 0.00 O ATOM 0 H SER A 57 18.437 -8.087 -21.598 1.00 0.00 H new ATOM 0 HA SER A 57 16.321 -6.215 -22.330 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.972 -8.250 -22.576 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.493 -8.402 -23.433 1.00 0.00 H new ATOM 0 HG SER A 57 16.327 -9.357 -20.760 1.00 0.00 H new TER 949 SER A 57