USER MOD reduce.3.24.130724 H: found=0, std=0, add=482, rem=0, adj=10 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= -0.332 (180deg=-0.332) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 76:sc= 0.0903 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 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 80:sc= 0.292 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0.036) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -11.282 4.031 -23.695 1.00 0.00 N ATOM 2 CA THR A 1 -10.188 3.104 -23.330 1.00 0.00 C ATOM 3 C THR A 1 -10.867 1.718 -23.087 1.00 0.00 C ATOM 4 O THR A 1 -11.623 1.635 -22.111 1.00 0.00 O ATOM 5 CB THR A 1 -9.423 3.656 -22.077 1.00 0.00 C ATOM 6 OG1 THR A 1 -8.732 4.850 -22.433 1.00 0.00 O ATOM 7 CG2 THR A 1 -8.404 2.721 -21.380 1.00 0.00 C ATOM 0 H1 THR A 1 -10.890 4.978 -23.871 1.00 0.00 H new ATOM 0 H2 THR A 1 -11.756 3.687 -24.555 1.00 0.00 H new ATOM 0 H3 THR A 1 -11.970 4.080 -22.917 1.00 0.00 H new ATOM 0 HA THR A 1 -9.432 3.003 -24.109 1.00 0.00 H new ATOM 0 HB THR A 1 -10.221 3.799 -21.348 1.00 0.00 H new ATOM 0 HG1 THR A 1 -8.255 5.197 -21.651 1.00 0.00 H new ATOM 0 HG21 THR A 1 -7.956 3.239 -20.532 1.00 0.00 H new ATOM 0 HG22 THR A 1 -8.914 1.824 -21.029 1.00 0.00 H new ATOM 0 HG23 THR A 1 -7.624 2.441 -22.088 1.00 0.00 H new ATOM 17 N PRO A 2 -10.659 0.617 -23.879 1.00 0.00 N ATOM 18 CA PRO A 2 -11.441 -0.640 -23.727 1.00 0.00 C ATOM 19 C PRO A 2 -10.950 -1.511 -22.526 1.00 0.00 C ATOM 20 O PRO A 2 -9.980 -2.267 -22.633 1.00 0.00 O ATOM 21 CB PRO A 2 -11.255 -1.310 -25.117 1.00 0.00 C ATOM 22 CG PRO A 2 -9.890 -0.826 -25.604 1.00 0.00 C ATOM 23 CD PRO A 2 -9.786 0.605 -25.073 1.00 0.00 C ATOM 0 HA PRO A 2 -12.490 -0.483 -23.478 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.285 -2.397 -25.039 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -12.047 -1.018 -25.806 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -9.085 -1.453 -25.220 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.823 -0.853 -26.692 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.758 0.860 -24.816 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.118 1.330 -25.816 1.00 0.00 H new ATOM 31 N ASP A 3 -11.647 -1.365 -21.385 1.00 0.00 N ATOM 32 CA ASP A 3 -11.293 -2.031 -20.108 1.00 0.00 C ATOM 33 C ASP A 3 -12.262 -3.212 -19.853 1.00 0.00 C ATOM 34 O ASP A 3 -13.489 -3.053 -19.868 1.00 0.00 O ATOM 35 CB ASP A 3 -11.352 -0.958 -18.990 1.00 0.00 C ATOM 36 CG ASP A 3 -10.808 -1.419 -17.629 1.00 0.00 C ATOM 37 OD1 ASP A 3 -9.592 -1.259 -17.377 1.00 0.00 O ATOM 38 OD2 ASP A 3 -11.592 -1.949 -16.812 1.00 0.00 O ATOM 0 H ASP A 3 -12.479 -0.778 -21.317 1.00 0.00 H new ATOM 0 HA ASP A 3 -10.288 -2.452 -20.135 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -10.788 -0.084 -19.314 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -12.387 -0.641 -18.864 1.00 0.00 H new ATOM 43 N VAL A 4 -11.669 -4.390 -19.596 1.00 0.00 N ATOM 44 CA VAL A 4 -12.423 -5.643 -19.358 1.00 0.00 C ATOM 45 C VAL A 4 -11.897 -6.282 -18.036 1.00 0.00 C ATOM 46 O VAL A 4 -12.030 -5.671 -16.970 1.00 0.00 O ATOM 47 CB VAL A 4 -12.530 -6.467 -20.697 1.00 0.00 C ATOM 48 CG1 VAL A 4 -11.208 -7.017 -21.292 1.00 0.00 C ATOM 49 CG2 VAL A 4 -13.589 -7.583 -20.604 1.00 0.00 C ATOM 0 H VAL A 4 -10.657 -4.506 -19.546 1.00 0.00 H new ATOM 0 HA VAL A 4 -13.484 -5.525 -19.136 1.00 0.00 H new ATOM 0 HB VAL A 4 -12.848 -5.710 -21.414 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -11.422 -7.563 -22.211 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -10.535 -6.188 -21.511 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.736 -7.687 -20.573 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.630 -8.126 -21.548 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -13.323 -8.271 -19.801 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -14.564 -7.143 -20.396 1.00 0.00 H new ATOM 59 N SER A 5 -11.393 -7.530 -18.084 1.00 0.00 N ATOM 60 CA SER A 5 -11.302 -8.445 -16.903 1.00 0.00 C ATOM 61 C SER A 5 -12.659 -8.621 -16.135 1.00 0.00 C ATOM 62 O SER A 5 -12.765 -8.327 -14.940 1.00 0.00 O ATOM 63 CB SER A 5 -10.083 -8.084 -16.015 1.00 0.00 C ATOM 64 OG SER A 5 -9.842 -9.098 -15.047 1.00 0.00 O ATOM 0 H SER A 5 -11.032 -7.945 -18.943 1.00 0.00 H new ATOM 0 HA SER A 5 -11.110 -9.450 -17.278 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.199 -7.954 -16.639 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.262 -7.133 -15.514 1.00 0.00 H new ATOM 0 HG SER A 5 -9.068 -8.850 -14.499 1.00 0.00 H new ATOM 70 N SER A 6 -13.709 -9.040 -16.876 1.00 0.00 N ATOM 71 CA SER A 6 -15.135 -8.918 -16.461 1.00 0.00 C ATOM 72 C SER A 6 -15.578 -7.485 -15.999 1.00 0.00 C ATOM 73 O SER A 6 -15.958 -7.284 -14.842 1.00 0.00 O ATOM 74 CB SER A 6 -15.552 -10.077 -15.526 1.00 0.00 C ATOM 75 OG SER A 6 -16.961 -10.087 -15.324 1.00 0.00 O ATOM 0 H SER A 6 -13.595 -9.478 -17.790 1.00 0.00 H new ATOM 0 HA SER A 6 -15.727 -9.037 -17.368 1.00 0.00 H new ATOM 0 HB2 SER A 6 -15.236 -11.028 -15.956 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.044 -9.976 -14.567 1.00 0.00 H new ATOM 0 HG SER A 6 -17.201 -10.829 -14.731 1.00 0.00 H new ATOM 81 N ALA A 7 -15.522 -6.507 -16.924 1.00 0.00 N ATOM 82 CA ALA A 7 -16.070 -5.136 -16.728 1.00 0.00 C ATOM 83 C ALA A 7 -16.949 -4.748 -17.949 1.00 0.00 C ATOM 84 O ALA A 7 -18.140 -4.486 -17.771 1.00 0.00 O ATOM 85 CB ALA A 7 -14.949 -4.117 -16.439 1.00 0.00 C ATOM 0 H ALA A 7 -15.092 -6.640 -17.839 1.00 0.00 H new ATOM 0 HA ALA A 7 -16.710 -5.124 -15.845 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -15.384 -3.127 -16.301 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -14.417 -4.409 -15.534 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -14.253 -4.094 -17.278 1.00 0.00 H new ATOM 91 N LEU A 8 -16.398 -4.782 -19.185 1.00 0.00 N ATOM 92 CA LEU A 8 -17.206 -4.826 -20.439 1.00 0.00 C ATOM 93 C LEU A 8 -18.126 -6.078 -20.624 1.00 0.00 C ATOM 94 O LEU A 8 -19.167 -5.955 -21.271 1.00 0.00 O ATOM 95 CB LEU A 8 -16.228 -4.658 -21.638 1.00 0.00 C ATOM 96 CG LEU A 8 -16.830 -4.418 -23.053 1.00 0.00 C ATOM 97 CD1 LEU A 8 -17.709 -3.153 -23.155 1.00 0.00 C ATOM 98 CD2 LEU A 8 -15.710 -4.365 -24.111 1.00 0.00 C ATOM 0 H LEU A 8 -15.391 -4.780 -19.347 1.00 0.00 H new ATOM 0 HA LEU A 8 -17.924 -4.008 -20.379 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -15.566 -3.822 -21.412 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -15.607 -5.552 -21.688 1.00 0.00 H new ATOM 0 HG LEU A 8 -17.489 -5.265 -23.243 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.091 -3.056 -24.171 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -18.545 -3.233 -22.460 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -17.113 -2.275 -22.906 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.147 -4.197 -25.095 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -15.024 -3.551 -23.874 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.166 -5.309 -24.112 1.00 0.00 H new ATOM 110 N ASP A 9 -17.774 -7.253 -20.067 1.00 0.00 N ATOM 111 CA ASP A 9 -18.666 -8.451 -20.049 1.00 0.00 C ATOM 112 C ASP A 9 -19.973 -8.254 -19.210 1.00 0.00 C ATOM 113 O ASP A 9 -21.067 -8.442 -19.750 1.00 0.00 O ATOM 114 CB ASP A 9 -17.867 -9.712 -19.603 1.00 0.00 C ATOM 115 CG ASP A 9 -18.459 -11.036 -20.103 1.00 0.00 C ATOM 116 OD1 ASP A 9 -18.094 -11.480 -21.214 1.00 0.00 O ATOM 117 OD2 ASP A 9 -19.293 -11.634 -19.387 1.00 0.00 O ATOM 0 H ASP A 9 -16.872 -7.408 -19.617 1.00 0.00 H new ATOM 0 HA ASP A 9 -19.013 -8.601 -21.071 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -16.842 -9.626 -19.963 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -17.822 -9.734 -18.514 1.00 0.00 H new ATOM 122 N LYS A 10 -19.859 -7.880 -17.916 1.00 0.00 N ATOM 123 CA LYS A 10 -21.028 -7.672 -17.015 1.00 0.00 C ATOM 124 C LYS A 10 -21.852 -6.369 -17.277 1.00 0.00 C ATOM 125 O LYS A 10 -23.084 -6.434 -17.323 1.00 0.00 O ATOM 126 CB LYS A 10 -20.600 -7.862 -15.530 1.00 0.00 C ATOM 127 CG LYS A 10 -19.671 -6.789 -14.911 1.00 0.00 C ATOM 128 CD LYS A 10 -19.185 -7.138 -13.492 1.00 0.00 C ATOM 129 CE LYS A 10 -18.392 -5.986 -12.847 1.00 0.00 C ATOM 130 NZ LYS A 10 -17.883 -6.361 -11.518 1.00 0.00 N ATOM 0 H LYS A 10 -18.961 -7.713 -17.463 1.00 0.00 H new ATOM 0 HA LYS A 10 -21.751 -8.449 -17.262 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -21.504 -7.915 -14.923 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -20.102 -8.828 -15.444 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -18.805 -6.653 -15.559 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -20.200 -5.836 -14.881 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -20.043 -7.381 -12.866 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -18.559 -8.029 -13.534 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -17.558 -5.710 -13.493 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -19.031 -5.107 -12.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -17.354 -5.563 -11.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -18.681 -6.601 -10.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -17.254 -7.184 -11.607 1.00 0.00 H new ATOM 144 N LEU A 11 -21.186 -5.210 -17.449 1.00 0.00 N ATOM 145 CA LEU A 11 -21.849 -3.899 -17.701 1.00 0.00 C ATOM 146 C LEU A 11 -22.346 -3.759 -19.175 1.00 0.00 C ATOM 147 O LEU A 11 -23.538 -3.512 -19.371 1.00 0.00 O ATOM 148 CB LEU A 11 -20.924 -2.722 -17.274 1.00 0.00 C ATOM 149 CG LEU A 11 -20.385 -2.681 -15.816 1.00 0.00 C ATOM 150 CD1 LEU A 11 -19.319 -1.578 -15.665 1.00 0.00 C ATOM 151 CD2 LEU A 11 -21.502 -2.508 -14.768 1.00 0.00 C ATOM 0 H LEU A 11 -20.168 -5.148 -17.418 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.744 -3.857 -17.080 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -20.064 -2.719 -17.944 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -21.468 -1.794 -17.450 1.00 0.00 H new ATOM 0 HG LEU A 11 -19.926 -3.650 -15.623 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -18.953 -1.564 -14.638 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -18.490 -1.778 -16.343 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -19.760 -0.611 -15.906 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -21.064 -2.487 -13.770 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -22.032 -1.573 -14.952 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -22.201 -3.342 -14.840 1.00 0.00 H new ATOM 163 N LYS A 12 -21.454 -3.948 -20.176 1.00 0.00 N ATOM 164 CA LYS A 12 -21.790 -4.128 -21.618 1.00 0.00 C ATOM 165 C LYS A 12 -22.326 -2.879 -22.366 1.00 0.00 C ATOM 166 O LYS A 12 -21.575 -2.259 -23.123 1.00 0.00 O ATOM 167 CB LYS A 12 -22.386 -5.515 -22.002 1.00 0.00 C ATOM 168 CG LYS A 12 -23.789 -5.899 -21.486 1.00 0.00 C ATOM 169 CD LYS A 12 -24.193 -7.331 -21.898 1.00 0.00 C ATOM 170 CE LYS A 12 -25.578 -7.781 -21.393 1.00 0.00 C ATOM 171 NZ LYS A 12 -26.697 -7.089 -22.062 1.00 0.00 N ATOM 0 H LYS A 12 -20.449 -3.981 -20.003 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.807 -4.197 -22.084 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -22.409 -5.572 -23.090 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -21.689 -6.279 -21.657 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -23.809 -5.817 -20.399 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -24.522 -5.191 -21.873 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -24.178 -7.399 -22.986 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -23.442 -8.027 -21.525 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -25.681 -8.855 -21.546 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -25.641 -7.604 -20.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -27.599 -7.436 -21.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -26.621 -6.065 -21.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -26.660 -7.278 -23.084 1.00 0.00 H new ATOM 185 N GLU A 13 -23.594 -2.500 -22.149 1.00 0.00 N ATOM 186 CA GLU A 13 -24.147 -1.195 -22.619 1.00 0.00 C ATOM 187 C GLU A 13 -23.732 0.025 -21.735 1.00 0.00 C ATOM 188 O GLU A 13 -23.323 1.053 -22.284 1.00 0.00 O ATOM 189 CB GLU A 13 -25.671 -1.291 -22.925 1.00 0.00 C ATOM 190 CG GLU A 13 -26.654 -1.823 -21.850 1.00 0.00 C ATOM 191 CD GLU A 13 -26.959 -0.879 -20.683 1.00 0.00 C ATOM 192 OE1 GLU A 13 -27.491 0.230 -20.919 1.00 0.00 O ATOM 193 OE2 GLU A 13 -26.671 -1.243 -19.521 1.00 0.00 O ATOM 0 H GLU A 13 -24.271 -3.076 -21.648 1.00 0.00 H new ATOM 0 HA GLU A 13 -23.668 -0.979 -23.574 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -26.007 -0.292 -23.204 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -25.784 -1.923 -23.806 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -27.594 -2.075 -22.341 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -26.248 -2.749 -21.444 1.00 0.00 H new ATOM 200 N PHE A 14 -23.775 -0.106 -20.393 1.00 0.00 N ATOM 201 CA PHE A 14 -23.107 0.843 -19.454 1.00 0.00 C ATOM 202 C PHE A 14 -21.539 0.808 -19.498 1.00 0.00 C ATOM 203 O PHE A 14 -20.916 1.862 -19.344 1.00 0.00 O ATOM 204 CB PHE A 14 -23.675 0.607 -18.023 1.00 0.00 C ATOM 205 CG PHE A 14 -23.303 1.684 -16.986 1.00 0.00 C ATOM 206 CD1 PHE A 14 -23.967 2.916 -16.971 1.00 0.00 C ATOM 207 CD2 PHE A 14 -22.285 1.443 -16.057 1.00 0.00 C ATOM 208 CE1 PHE A 14 -23.620 3.889 -16.036 1.00 0.00 C ATOM 209 CE2 PHE A 14 -21.941 2.417 -15.122 1.00 0.00 C ATOM 210 CZ PHE A 14 -22.610 3.638 -15.111 1.00 0.00 C ATOM 0 H PHE A 14 -24.269 -0.865 -19.924 1.00 0.00 H new ATOM 0 HA PHE A 14 -23.341 1.856 -19.781 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -24.761 0.545 -18.086 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -23.321 -0.359 -17.663 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -24.751 3.113 -17.687 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -21.763 0.497 -16.065 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -24.135 4.838 -16.029 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -21.156 2.225 -14.406 1.00 0.00 H new ATOM 0 HZ PHE A 14 -22.345 4.391 -14.384 1.00 0.00 H new ATOM 220 N GLY A 15 -20.917 -0.368 -19.720 1.00 0.00 N ATOM 221 CA GLY A 15 -19.449 -0.489 -19.922 1.00 0.00 C ATOM 222 C GLY A 15 -18.892 0.234 -21.165 1.00 0.00 C ATOM 223 O GLY A 15 -18.004 1.071 -21.015 1.00 0.00 O ATOM 0 H GLY A 15 -21.411 -1.259 -19.765 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -18.944 -0.098 -19.038 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -19.195 -1.547 -19.993 1.00 0.00 H new ATOM 227 N ASN A 16 -19.427 -0.065 -22.364 1.00 0.00 N ATOM 228 CA ASN A 16 -18.989 0.567 -23.642 1.00 0.00 C ATOM 229 C ASN A 16 -19.163 2.121 -23.752 1.00 0.00 C ATOM 230 O ASN A 16 -18.289 2.767 -24.336 1.00 0.00 O ATOM 231 CB ASN A 16 -19.705 -0.161 -24.819 1.00 0.00 C ATOM 232 CG ASN A 16 -19.047 0.034 -26.200 1.00 0.00 C ATOM 233 OD1 ASN A 16 -19.404 0.938 -26.954 1.00 0.00 O ATOM 234 ND2 ASN A 16 -18.078 -0.798 -26.552 1.00 0.00 N ATOM 0 H ASN A 16 -20.174 -0.749 -22.483 1.00 0.00 H new ATOM 0 HA ASN A 16 -17.907 0.441 -23.681 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -19.743 -1.228 -24.598 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -20.736 0.190 -24.871 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -17.619 -0.693 -27.457 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -17.791 -1.544 -25.918 1.00 0.00 H new ATOM 241 N THR A 17 -20.259 2.710 -23.218 1.00 0.00 N ATOM 242 CA THR A 17 -20.499 4.186 -23.257 1.00 0.00 C ATOM 243 C THR A 17 -19.450 5.047 -22.476 1.00 0.00 C ATOM 244 O THR A 17 -18.928 6.006 -23.050 1.00 0.00 O ATOM 245 CB THR A 17 -21.989 4.518 -22.946 1.00 0.00 C ATOM 246 OG1 THR A 17 -22.272 5.851 -23.359 1.00 0.00 O ATOM 247 CG2 THR A 17 -22.459 4.364 -21.489 1.00 0.00 C ATOM 0 H THR A 17 -21.000 2.188 -22.750 1.00 0.00 H new ATOM 0 HA THR A 17 -20.320 4.503 -24.284 1.00 0.00 H new ATOM 0 HB THR A 17 -22.540 3.760 -23.503 1.00 0.00 H new ATOM 0 HG1 THR A 17 -23.209 6.061 -23.166 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.514 4.627 -21.417 1.00 0.00 H new ATOM 0 HG22 THR A 17 -22.320 3.331 -21.169 1.00 0.00 H new ATOM 0 HG23 THR A 17 -21.876 5.024 -20.847 1.00 0.00 H new ATOM 255 N LEU A 18 -19.107 4.679 -21.223 1.00 0.00 N ATOM 256 CA LEU A 18 -17.839 5.131 -20.563 1.00 0.00 C ATOM 257 C LEU A 18 -16.672 4.088 -20.614 1.00 0.00 C ATOM 258 O LEU A 18 -15.929 3.867 -19.655 1.00 0.00 O ATOM 259 CB LEU A 18 -18.112 5.670 -19.137 1.00 0.00 C ATOM 260 CG LEU A 18 -18.708 4.663 -18.117 1.00 0.00 C ATOM 261 CD1 LEU A 18 -18.068 4.848 -16.729 1.00 0.00 C ATOM 262 CD2 LEU A 18 -20.241 4.796 -18.016 1.00 0.00 C ATOM 0 H LEU A 18 -19.682 4.071 -20.640 1.00 0.00 H new ATOM 0 HA LEU A 18 -17.468 5.961 -21.164 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -17.175 6.052 -18.732 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -18.793 6.517 -19.217 1.00 0.00 H new ATOM 0 HG LEU A 18 -18.480 3.661 -18.480 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -18.501 4.132 -16.030 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -16.993 4.682 -16.799 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -18.256 5.861 -16.374 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -20.622 4.075 -17.293 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -20.498 5.805 -17.693 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -20.688 4.602 -18.991 1.00 0.00 H new ATOM 274 N GLU A 19 -16.469 3.517 -21.800 1.00 0.00 N ATOM 275 CA GLU A 19 -15.121 3.286 -22.384 1.00 0.00 C ATOM 276 C GLU A 19 -15.002 4.109 -23.714 1.00 0.00 C ATOM 277 O GLU A 19 -14.658 3.575 -24.774 1.00 0.00 O ATOM 278 CB GLU A 19 -14.936 1.757 -22.577 1.00 0.00 C ATOM 279 CG GLU A 19 -14.812 0.897 -21.294 1.00 0.00 C ATOM 280 CD GLU A 19 -15.133 -0.592 -21.479 1.00 0.00 C ATOM 281 OE1 GLU A 19 -14.683 -1.206 -22.470 1.00 0.00 O ATOM 282 OE2 GLU A 19 -15.838 -1.162 -20.616 1.00 0.00 O ATOM 0 H GLU A 19 -17.230 3.195 -22.397 1.00 0.00 H new ATOM 0 HA GLU A 19 -14.319 3.630 -21.731 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -15.781 1.384 -23.155 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -14.042 1.597 -23.180 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -13.796 0.989 -20.909 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -15.479 1.306 -20.535 1.00 0.00 H new ATOM 289 N ASP A 20 -15.306 5.424 -23.640 1.00 0.00 N ATOM 290 CA ASP A 20 -15.474 6.325 -24.809 1.00 0.00 C ATOM 291 C ASP A 20 -15.597 7.791 -24.292 1.00 0.00 C ATOM 292 O ASP A 20 -14.773 8.623 -24.684 1.00 0.00 O ATOM 293 CB ASP A 20 -16.632 5.914 -25.768 1.00 0.00 C ATOM 294 CG ASP A 20 -16.624 6.642 -27.117 1.00 0.00 C ATOM 295 OD1 ASP A 20 -15.913 6.193 -28.043 1.00 0.00 O ATOM 296 OD2 ASP A 20 -17.326 7.669 -27.254 1.00 0.00 O ATOM 0 H ASP A 20 -15.445 5.901 -22.749 1.00 0.00 H new ATOM 0 HA ASP A 20 -14.588 6.238 -25.438 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -16.575 4.840 -25.948 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.584 6.104 -25.272 1.00 0.00 H new ATOM 301 N LYS A 21 -16.554 8.111 -23.381 1.00 0.00 N ATOM 302 CA LYS A 21 -16.387 9.263 -22.446 1.00 0.00 C ATOM 303 C LYS A 21 -15.197 9.090 -21.444 1.00 0.00 C ATOM 304 O LYS A 21 -14.434 10.045 -21.278 1.00 0.00 O ATOM 305 CB LYS A 21 -17.712 9.747 -21.796 1.00 0.00 C ATOM 306 CG LYS A 21 -18.391 8.905 -20.700 1.00 0.00 C ATOM 307 CD LYS A 21 -19.614 9.631 -20.099 1.00 0.00 C ATOM 308 CE LYS A 21 -20.289 8.850 -18.961 1.00 0.00 C ATOM 309 NZ LYS A 21 -21.441 9.583 -18.406 1.00 0.00 N ATOM 0 H LYS A 21 -17.431 7.602 -23.272 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.087 10.098 -23.079 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -17.523 10.734 -21.374 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -18.437 9.877 -22.599 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -18.705 7.948 -21.118 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -17.672 8.688 -19.910 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -19.301 10.606 -19.725 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -20.344 9.812 -20.888 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -20.619 7.880 -19.331 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -19.564 8.659 -18.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.871 9.026 -17.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.122 10.499 -18.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.144 9.743 -19.155 1.00 0.00 H new ATOM 323 N ALA A 22 -14.970 7.880 -20.875 1.00 0.00 N ATOM 324 CA ALA A 22 -13.661 7.523 -20.254 1.00 0.00 C ATOM 325 C ALA A 22 -12.583 6.993 -21.263 1.00 0.00 C ATOM 326 O ALA A 22 -12.000 5.916 -21.115 1.00 0.00 O ATOM 327 CB ALA A 22 -13.924 6.524 -19.122 1.00 0.00 C ATOM 0 H ALA A 22 -15.668 7.137 -20.831 1.00 0.00 H new ATOM 0 HA ALA A 22 -13.219 8.439 -19.862 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -12.979 6.249 -18.653 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.579 6.980 -18.379 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -14.401 5.632 -19.528 1.00 0.00 H new ATOM 333 N ARG A 23 -12.302 7.834 -22.264 1.00 0.00 N ATOM 334 CA ARG A 23 -11.153 7.729 -23.196 1.00 0.00 C ATOM 335 C ARG A 23 -10.316 9.041 -23.103 1.00 0.00 C ATOM 336 O ARG A 23 -9.151 8.980 -22.704 1.00 0.00 O ATOM 337 CB ARG A 23 -11.668 7.388 -24.619 1.00 0.00 C ATOM 338 CG ARG A 23 -10.581 6.988 -25.643 1.00 0.00 C ATOM 339 CD ARG A 23 -11.140 6.568 -27.018 1.00 0.00 C ATOM 340 NE ARG A 23 -11.889 5.284 -26.962 1.00 0.00 N ATOM 341 CZ ARG A 23 -12.656 4.802 -27.957 1.00 0.00 C ATOM 342 NH1 ARG A 23 -12.821 5.408 -29.131 1.00 0.00 N ATOM 343 NH2 ARG A 23 -13.282 3.657 -27.758 1.00 0.00 N ATOM 0 H ARG A 23 -12.889 8.644 -22.463 1.00 0.00 H new ATOM 0 HA ARG A 23 -10.482 6.914 -22.926 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.386 6.572 -24.540 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -12.208 8.251 -25.007 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.899 7.827 -25.780 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.995 6.165 -25.233 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -11.797 7.352 -27.394 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.318 6.474 -27.727 1.00 0.00 H new ATOM 0 HE ARG A 23 -11.816 4.730 -26.109 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.351 6.293 -29.318 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.418 4.987 -29.843 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -13.176 3.166 -26.870 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.871 3.264 -28.492 1.00 0.00 H new ATOM 357 N GLU A 24 -10.915 10.216 -23.415 1.00 0.00 N ATOM 358 CA GLU A 24 -10.325 11.554 -23.122 1.00 0.00 C ATOM 359 C GLU A 24 -10.066 11.879 -21.613 1.00 0.00 C ATOM 360 O GLU A 24 -9.081 12.568 -21.332 1.00 0.00 O ATOM 361 CB GLU A 24 -11.206 12.668 -23.757 1.00 0.00 C ATOM 362 CG GLU A 24 -11.252 12.673 -25.302 1.00 0.00 C ATOM 363 CD GLU A 24 -12.140 13.787 -25.863 1.00 0.00 C ATOM 364 OE1 GLU A 24 -13.357 13.558 -26.041 1.00 0.00 O ATOM 365 OE2 GLU A 24 -11.626 14.897 -26.127 1.00 0.00 O ATOM 0 H GLU A 24 -11.823 10.267 -23.878 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.332 11.521 -23.570 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.223 12.563 -23.380 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.839 13.637 -23.418 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.241 12.790 -25.691 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.620 11.709 -25.654 1.00 0.00 H new ATOM 372 N LEU A 25 -10.891 11.389 -20.651 1.00 0.00 N ATOM 373 CA LEU A 25 -10.565 11.472 -19.194 1.00 0.00 C ATOM 374 C LEU A 25 -9.295 10.654 -18.786 1.00 0.00 C ATOM 375 O LEU A 25 -8.461 11.192 -18.058 1.00 0.00 O ATOM 376 CB LEU A 25 -11.784 11.100 -18.294 1.00 0.00 C ATOM 377 CG LEU A 25 -12.824 12.224 -18.007 1.00 0.00 C ATOM 378 CD1 LEU A 25 -13.768 12.530 -19.186 1.00 0.00 C ATOM 379 CD2 LEU A 25 -13.673 11.883 -16.765 1.00 0.00 C ATOM 0 H LEU A 25 -11.782 10.934 -20.851 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.324 12.520 -19.018 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -12.308 10.266 -18.762 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.402 10.741 -17.338 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.228 13.120 -17.833 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -14.459 13.323 -18.902 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -13.182 12.850 -20.048 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -14.331 11.633 -19.443 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -14.392 12.682 -16.585 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -14.206 10.947 -16.934 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -13.022 11.778 -15.897 1.00 0.00 H new ATOM 391 N ILE A 26 -9.127 9.401 -19.263 1.00 0.00 N ATOM 392 CA ILE A 26 -7.895 8.579 -19.035 1.00 0.00 C ATOM 393 C ILE A 26 -6.607 9.200 -19.685 1.00 0.00 C ATOM 394 O ILE A 26 -5.554 9.187 -19.046 1.00 0.00 O ATOM 395 CB ILE A 26 -8.124 7.082 -19.468 1.00 0.00 C ATOM 396 CG1 ILE A 26 -9.447 6.413 -18.978 1.00 0.00 C ATOM 397 CG2 ILE A 26 -6.925 6.163 -19.118 1.00 0.00 C ATOM 398 CD1 ILE A 26 -9.698 6.370 -17.462 1.00 0.00 C ATOM 0 H ILE A 26 -9.836 8.922 -19.818 1.00 0.00 H new ATOM 0 HA ILE A 26 -7.707 8.587 -17.961 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.219 7.176 -20.550 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.282 6.937 -19.443 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.465 5.389 -19.352 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.141 5.144 -19.440 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.030 6.522 -19.627 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.760 6.175 -18.041 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -10.651 5.879 -17.265 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.896 5.814 -16.976 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.725 7.386 -17.069 1.00 0.00 H new ATOM 410 N SER A 27 -6.688 9.748 -20.917 1.00 0.00 N ATOM 411 CA SER A 27 -5.587 10.532 -21.549 1.00 0.00 C ATOM 412 C SER A 27 -5.079 11.768 -20.737 1.00 0.00 C ATOM 413 O SER A 27 -3.863 11.935 -20.626 1.00 0.00 O ATOM 414 CB SER A 27 -6.006 10.953 -22.977 1.00 0.00 C ATOM 415 OG SER A 27 -6.269 9.822 -23.801 1.00 0.00 O ATOM 0 H SER A 27 -7.516 9.663 -21.507 1.00 0.00 H new ATOM 0 HA SER A 27 -4.730 9.859 -21.573 1.00 0.00 H new ATOM 0 HB2 SER A 27 -6.895 11.581 -22.926 1.00 0.00 H new ATOM 0 HB3 SER A 27 -5.216 11.555 -23.426 1.00 0.00 H new ATOM 0 HG SER A 27 -7.137 9.436 -23.560 1.00 0.00 H new ATOM 421 N ARG A 28 -5.974 12.597 -20.159 1.00 0.00 N ATOM 422 CA ARG A 28 -5.586 13.710 -19.240 1.00 0.00 C ATOM 423 C ARG A 28 -5.286 13.314 -17.746 1.00 0.00 C ATOM 424 O ARG A 28 -4.808 14.166 -16.995 1.00 0.00 O ATOM 425 CB ARG A 28 -6.683 14.811 -19.351 1.00 0.00 C ATOM 426 CG ARG A 28 -6.224 16.229 -18.941 1.00 0.00 C ATOM 427 CD ARG A 28 -7.333 17.289 -19.092 1.00 0.00 C ATOM 428 NE ARG A 28 -6.855 18.660 -18.779 1.00 0.00 N ATOM 429 CZ ARG A 28 -6.805 19.201 -17.544 1.00 0.00 C ATOM 430 NH1 ARG A 28 -7.164 18.559 -16.433 1.00 0.00 N ATOM 431 NH2 ARG A 28 -6.372 20.443 -17.429 1.00 0.00 N ATOM 0 H ARG A 28 -6.980 12.522 -20.309 1.00 0.00 H new ATOM 0 HA ARG A 28 -4.613 14.074 -19.571 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.042 14.844 -20.380 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.530 14.524 -18.727 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.886 16.210 -17.905 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.368 16.518 -19.550 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.717 17.266 -20.112 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.164 17.038 -18.432 1.00 0.00 H new ATOM 0 HE ARG A 28 -6.540 19.238 -19.558 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.502 17.598 -16.486 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -7.101 19.029 -15.530 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.088 20.963 -18.259 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -6.322 20.882 -16.510 1.00 0.00 H new ATOM 445 N ILE A 29 -5.539 12.065 -17.302 1.00 0.00 N ATOM 446 CA ILE A 29 -5.253 11.585 -15.916 1.00 0.00 C ATOM 447 C ILE A 29 -3.939 10.761 -15.918 1.00 0.00 C ATOM 448 O ILE A 29 -2.924 11.225 -15.393 1.00 0.00 O ATOM 449 CB ILE A 29 -6.530 10.881 -15.337 1.00 0.00 C ATOM 450 CG1 ILE A 29 -7.669 11.890 -15.020 1.00 0.00 C ATOM 451 CG2 ILE A 29 -6.285 9.932 -14.136 1.00 0.00 C ATOM 452 CD1 ILE A 29 -7.419 12.862 -13.858 1.00 0.00 C ATOM 0 H ILE A 29 -5.952 11.346 -17.896 1.00 0.00 H new ATOM 0 HA ILE A 29 -5.057 12.402 -15.222 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.850 10.232 -16.152 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.866 12.475 -15.918 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -8.575 11.325 -14.803 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.233 9.499 -13.815 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -5.605 9.135 -14.435 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -5.845 10.494 -13.312 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -8.284 13.513 -13.736 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -7.257 12.297 -12.940 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.537 13.466 -14.072 1.00 0.00 H new ATOM 464 N LYS A 30 -3.967 9.558 -16.515 1.00 0.00 N ATOM 465 CA LYS A 30 -2.747 8.713 -16.711 1.00 0.00 C ATOM 466 C LYS A 30 -1.605 9.257 -17.626 1.00 0.00 C ATOM 467 O LYS A 30 -0.487 8.736 -17.588 1.00 0.00 O ATOM 468 CB LYS A 30 -3.145 7.263 -17.112 1.00 0.00 C ATOM 469 CG LYS A 30 -4.034 6.464 -16.122 1.00 0.00 C ATOM 470 CD LYS A 30 -3.510 6.304 -14.677 1.00 0.00 C ATOM 471 CE LYS A 30 -2.173 5.546 -14.554 1.00 0.00 C ATOM 472 NZ LYS A 30 -1.759 5.409 -13.147 1.00 0.00 N ATOM 0 H LYS A 30 -4.821 9.135 -16.877 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.279 8.739 -15.727 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -3.665 7.309 -18.069 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.229 6.695 -17.274 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.009 6.949 -16.076 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.192 5.468 -16.537 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.392 7.294 -14.237 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.264 5.781 -14.088 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -2.271 4.558 -15.004 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -1.401 6.075 -15.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -0.856 4.895 -13.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.642 6.353 -12.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -2.486 4.883 -12.621 1.00 0.00 H new ATOM 486 N GLN A 31 -1.880 10.335 -18.369 1.00 0.00 N ATOM 487 CA GLN A 31 -0.847 11.260 -18.890 1.00 0.00 C ATOM 488 C GLN A 31 -1.318 12.727 -18.633 1.00 0.00 C ATOM 489 O GLN A 31 -1.656 13.462 -19.568 1.00 0.00 O ATOM 490 CB GLN A 31 -0.538 10.962 -20.377 1.00 0.00 C ATOM 491 CG GLN A 31 0.326 9.711 -20.649 1.00 0.00 C ATOM 492 CD GLN A 31 0.595 9.480 -22.143 1.00 0.00 C ATOM 493 OE1 GLN A 31 -0.233 8.919 -22.861 1.00 0.00 O ATOM 494 NE2 GLN A 31 1.747 9.900 -22.643 1.00 0.00 N ATOM 0 H GLN A 31 -2.830 10.599 -18.632 1.00 0.00 H new ATOM 0 HA GLN A 31 0.097 11.116 -18.365 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -1.483 10.850 -20.909 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.033 11.828 -20.804 1.00 0.00 H new ATOM 0 HG2 GLN A 31 1.277 9.812 -20.126 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.173 8.835 -20.236 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.426 10.364 -22.039 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.955 9.760 -23.632 1.00 0.00 H new ATOM 503 N SER A 32 -1.298 13.173 -17.358 1.00 0.00 N ATOM 504 CA SER A 32 -1.619 14.576 -16.985 1.00 0.00 C ATOM 505 C SER A 32 -0.449 15.550 -17.289 1.00 0.00 C ATOM 506 O SER A 32 0.725 15.189 -17.180 1.00 0.00 O ATOM 507 CB SER A 32 -1.987 14.604 -15.482 1.00 0.00 C ATOM 508 OG SER A 32 -2.503 15.876 -15.102 1.00 0.00 O ATOM 0 H SER A 32 -1.062 12.580 -16.562 1.00 0.00 H new ATOM 0 HA SER A 32 -2.460 14.919 -17.588 1.00 0.00 H new ATOM 0 HB2 SER A 32 -2.726 13.831 -15.271 1.00 0.00 H new ATOM 0 HB3 SER A 32 -1.105 14.373 -14.885 1.00 0.00 H new ATOM 0 HG SER A 32 -2.729 15.866 -14.148 1.00 0.00 H new ATOM 514 N GLU A 33 -0.791 16.812 -17.613 1.00 0.00 N ATOM 515 CA GLU A 33 0.204 17.924 -17.693 1.00 0.00 C ATOM 516 C GLU A 33 0.670 18.573 -16.337 1.00 0.00 C ATOM 517 O GLU A 33 1.297 19.636 -16.351 1.00 0.00 O ATOM 518 CB GLU A 33 -0.262 18.952 -18.764 1.00 0.00 C ATOM 519 CG GLU A 33 -1.419 19.918 -18.418 1.00 0.00 C ATOM 520 CD GLU A 33 -2.808 19.276 -18.301 1.00 0.00 C ATOM 521 OE1 GLU A 33 -3.464 19.053 -19.343 1.00 0.00 O ATOM 522 OE2 GLU A 33 -3.247 18.986 -17.166 1.00 0.00 O ATOM 0 H GLU A 33 -1.747 17.097 -17.826 1.00 0.00 H new ATOM 0 HA GLU A 33 1.140 17.464 -18.010 1.00 0.00 H new ATOM 0 HB2 GLU A 33 0.602 19.557 -19.038 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.554 18.393 -19.653 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -1.186 20.412 -17.474 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.461 20.694 -19.182 1.00 0.00 H new ATOM 529 N LEU A 34 0.478 17.887 -15.188 1.00 0.00 N ATOM 530 CA LEU A 34 1.380 17.999 -14.011 1.00 0.00 C ATOM 531 C LEU A 34 2.670 17.170 -14.316 1.00 0.00 C ATOM 532 O LEU A 34 3.772 17.724 -14.329 1.00 0.00 O ATOM 533 CB LEU A 34 0.618 17.491 -12.743 1.00 0.00 C ATOM 534 CG LEU A 34 1.231 17.655 -11.310 1.00 0.00 C ATOM 535 CD1 LEU A 34 0.796 16.479 -10.407 1.00 0.00 C ATOM 536 CD2 LEU A 34 2.762 17.816 -11.185 1.00 0.00 C ATOM 0 H LEU A 34 -0.300 17.243 -15.047 1.00 0.00 H new ATOM 0 HA LEU A 34 1.677 19.029 -13.816 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.352 17.988 -12.734 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.430 16.427 -12.889 1.00 0.00 H new ATOM 0 HG LEU A 34 0.828 18.618 -10.995 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.228 16.604 -9.414 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.291 16.462 -10.330 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.144 15.541 -10.839 1.00 0.00 H new ATOM 0 HD21 LEU A 34 3.032 17.919 -10.134 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.255 16.938 -11.603 1.00 0.00 H new ATOM 0 HD23 LEU A 34 3.080 18.705 -11.730 1.00 0.00 H new ATOM 548 N SER A 35 2.498 15.856 -14.557 1.00 0.00 N ATOM 549 CA SER A 35 3.598 14.909 -14.796 1.00 0.00 C ATOM 550 C SER A 35 3.715 14.606 -16.310 1.00 0.00 C ATOM 551 O SER A 35 3.091 13.695 -16.862 1.00 0.00 O ATOM 552 CB SER A 35 3.276 13.633 -14.017 1.00 0.00 C ATOM 553 OG SER A 35 3.303 13.835 -12.607 1.00 0.00 O ATOM 0 H SER A 35 1.577 15.419 -14.591 1.00 0.00 H new ATOM 0 HA SER A 35 4.550 15.325 -14.466 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.291 13.271 -14.310 1.00 0.00 H new ATOM 0 HB3 SER A 35 3.994 12.857 -14.284 1.00 0.00 H new ATOM 0 HG SER A 35 3.090 12.994 -12.152 1.00 0.00 H new ATOM 559 N ALA A 36 4.568 15.396 -16.953 1.00 0.00 N ATOM 560 CA ALA A 36 5.132 15.073 -18.290 1.00 0.00 C ATOM 561 C ALA A 36 6.574 14.482 -18.211 1.00 0.00 C ATOM 562 O ALA A 36 6.890 13.560 -18.969 1.00 0.00 O ATOM 563 CB ALA A 36 5.059 16.342 -19.153 1.00 0.00 C ATOM 0 H ALA A 36 4.898 16.284 -16.574 1.00 0.00 H new ATOM 0 HA ALA A 36 4.541 14.283 -18.752 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.467 16.133 -20.142 1.00 0.00 H new ATOM 0 HB2 ALA A 36 4.020 16.658 -19.248 1.00 0.00 H new ATOM 0 HB3 ALA A 36 5.638 17.136 -18.682 1.00 0.00 H new ATOM 569 N LYS A 37 7.421 14.990 -17.289 1.00 0.00 N ATOM 570 CA LYS A 37 8.746 14.387 -16.964 1.00 0.00 C ATOM 571 C LYS A 37 8.646 13.173 -15.990 1.00 0.00 C ATOM 572 O LYS A 37 9.339 12.180 -16.218 1.00 0.00 O ATOM 573 CB LYS A 37 9.732 15.460 -16.423 1.00 0.00 C ATOM 574 CG LYS A 37 10.158 16.579 -17.406 1.00 0.00 C ATOM 575 CD LYS A 37 11.032 16.100 -18.584 1.00 0.00 C ATOM 576 CE LYS A 37 11.446 17.248 -19.521 1.00 0.00 C ATOM 577 NZ LYS A 37 12.265 16.756 -20.644 1.00 0.00 N ATOM 0 H LYS A 37 7.212 15.828 -16.746 1.00 0.00 H new ATOM 0 HA LYS A 37 9.141 13.994 -17.901 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.277 15.930 -15.551 1.00 0.00 H new ATOM 0 HB3 LYS A 37 10.632 14.951 -16.078 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.262 17.054 -17.805 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.704 17.343 -16.852 1.00 0.00 H new ATOM 0 HD2 LYS A 37 11.926 15.615 -18.194 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.485 15.349 -19.155 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.555 17.743 -19.908 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.007 17.994 -18.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.528 17.554 -21.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 13.126 16.305 -20.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.719 16.062 -21.194 1.00 0.00 H new ATOM 591 N MET A 38 7.792 13.212 -14.943 1.00 0.00 N ATOM 592 CA MET A 38 7.412 12.046 -14.132 1.00 0.00 C ATOM 593 C MET A 38 6.595 10.926 -14.860 1.00 0.00 C ATOM 594 O MET A 38 6.717 9.785 -14.413 1.00 0.00 O ATOM 595 CB MET A 38 6.710 12.781 -12.961 1.00 0.00 C ATOM 596 CG MET A 38 6.017 11.951 -11.900 1.00 0.00 C ATOM 597 SD MET A 38 6.986 10.520 -11.353 1.00 0.00 S ATOM 598 CE MET A 38 8.346 11.276 -10.440 1.00 0.00 C ATOM 0 H MET A 38 7.342 14.074 -14.636 1.00 0.00 H new ATOM 0 HA MET A 38 8.241 11.407 -13.829 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.456 13.400 -12.463 1.00 0.00 H new ATOM 0 HB3 MET A 38 5.970 13.457 -13.390 1.00 0.00 H new ATOM 0 HG2 MET A 38 5.801 12.584 -11.039 1.00 0.00 H new ATOM 0 HG3 MET A 38 5.060 11.604 -12.289 1.00 0.00 H new ATOM 0 HE1 MET A 38 9.005 10.497 -10.058 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.908 11.934 -11.103 1.00 0.00 H new ATOM 0 HE3 MET A 38 7.948 11.855 -9.607 1.00 0.00 H new ATOM 608 N ARG A 39 5.841 11.179 -15.963 1.00 0.00 N ATOM 609 CA ARG A 39 5.358 10.081 -16.865 1.00 0.00 C ATOM 610 C ARG A 39 6.444 9.457 -17.798 1.00 0.00 C ATOM 611 O ARG A 39 6.402 8.242 -18.017 1.00 0.00 O ATOM 612 CB ARG A 39 4.067 10.461 -17.654 1.00 0.00 C ATOM 613 CG ARG A 39 2.756 9.914 -17.043 1.00 0.00 C ATOM 614 CD ARG A 39 2.258 10.654 -15.787 1.00 0.00 C ATOM 615 NE ARG A 39 1.262 9.843 -15.048 1.00 0.00 N ATOM 616 CZ ARG A 39 0.282 10.338 -14.270 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.020 11.635 -14.130 1.00 0.00 N ATOM 618 NH2 ARG A 39 -0.468 9.481 -13.602 1.00 0.00 N ATOM 0 H ARG A 39 5.555 12.114 -16.252 1.00 0.00 H new ATOM 0 HA ARG A 39 5.095 9.284 -16.170 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.999 11.547 -17.713 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.159 10.091 -18.675 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.975 9.955 -17.803 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.902 8.863 -16.792 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.102 10.880 -15.136 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.814 11.607 -16.075 1.00 0.00 H new ATOM 0 HE ARG A 39 1.324 8.829 -15.136 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.579 12.325 -14.631 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.740 11.939 -13.522 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.295 8.479 -13.685 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.220 9.821 -13.003 1.00 0.00 H new ATOM 632 N GLU A 40 7.423 10.237 -18.305 1.00 0.00 N ATOM 633 CA GLU A 40 8.681 9.680 -18.896 1.00 0.00 C ATOM 634 C GLU A 40 9.513 8.782 -17.920 1.00 0.00 C ATOM 635 O GLU A 40 9.959 7.705 -18.324 1.00 0.00 O ATOM 636 CB GLU A 40 9.551 10.817 -19.493 1.00 0.00 C ATOM 637 CG GLU A 40 8.999 11.421 -20.801 1.00 0.00 C ATOM 638 CD GLU A 40 9.709 12.716 -21.206 1.00 0.00 C ATOM 639 OE1 GLU A 40 10.808 12.645 -21.798 1.00 0.00 O ATOM 640 OE2 GLU A 40 9.169 13.811 -20.934 1.00 0.00 O ATOM 0 H GLU A 40 7.376 11.256 -18.322 1.00 0.00 H new ATOM 0 HA GLU A 40 8.363 9.010 -19.695 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.648 11.611 -18.753 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.553 10.431 -19.680 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.101 10.691 -21.604 1.00 0.00 H new ATOM 0 HG3 GLU A 40 7.934 11.618 -20.683 1.00 0.00 H new ATOM 647 N TRP A 41 9.670 9.197 -16.645 1.00 0.00 N ATOM 648 CA TRP A 41 10.227 8.353 -15.554 1.00 0.00 C ATOM 649 C TRP A 41 9.375 7.093 -15.183 1.00 0.00 C ATOM 650 O TRP A 41 9.988 6.064 -14.904 1.00 0.00 O ATOM 651 CB TRP A 41 10.479 9.288 -14.335 1.00 0.00 C ATOM 652 CG TRP A 41 11.193 8.660 -13.130 1.00 0.00 C ATOM 653 CD1 TRP A 41 12.574 8.722 -12.854 1.00 0.00 C ATOM 654 CD2 TRP A 41 10.634 7.940 -12.088 1.00 0.00 C ATOM 655 NE1 TRP A 41 12.894 8.055 -11.657 1.00 0.00 N ATOM 656 CE2 TRP A 41 11.677 7.579 -11.198 1.00 0.00 C ATOM 657 CE3 TRP A 41 9.301 7.518 -11.845 1.00 0.00 C ATOM 658 CZ2 TRP A 41 11.392 6.799 -10.052 1.00 0.00 C ATOM 659 CZ3 TRP A 41 9.046 6.751 -10.707 1.00 0.00 C ATOM 660 CH2 TRP A 41 10.075 6.399 -9.823 1.00 0.00 C ATOM 0 H TRP A 41 9.413 10.135 -16.336 1.00 0.00 H new ATOM 0 HA TRP A 41 11.157 7.907 -15.906 1.00 0.00 H new ATOM 0 HB2 TRP A 41 11.067 10.141 -14.674 1.00 0.00 H new ATOM 0 HB3 TRP A 41 9.518 9.677 -13.998 1.00 0.00 H new ATOM 0 HD1 TRP A 41 13.297 9.220 -13.483 1.00 0.00 H new ATOM 0 HE1 TRP A 41 13.812 7.947 -11.226 1.00 0.00 H new ATOM 0 HE3 TRP A 41 8.504 7.784 -12.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 12.179 6.519 -9.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.037 6.423 -10.504 1.00 0.00 H new ATOM 0 HH2 TRP A 41 9.845 5.808 -8.949 1.00 0.00 H new ATOM 671 N PHE A 42 8.020 7.141 -15.143 1.00 0.00 N ATOM 672 CA PHE A 42 7.176 5.919 -14.916 1.00 0.00 C ATOM 673 C PHE A 42 7.328 4.820 -16.021 1.00 0.00 C ATOM 674 O PHE A 42 7.299 3.629 -15.698 1.00 0.00 O ATOM 675 CB PHE A 42 5.661 6.257 -14.741 1.00 0.00 C ATOM 676 CG PHE A 42 5.196 7.017 -13.477 1.00 0.00 C ATOM 677 CD1 PHE A 42 5.622 6.643 -12.196 1.00 0.00 C ATOM 678 CD2 PHE A 42 4.254 8.046 -13.600 1.00 0.00 C ATOM 679 CE1 PHE A 42 5.168 7.327 -11.071 1.00 0.00 C ATOM 680 CE2 PHE A 42 3.801 8.732 -12.475 1.00 0.00 C ATOM 681 CZ PHE A 42 4.262 8.374 -11.213 1.00 0.00 C ATOM 0 H PHE A 42 7.483 8.000 -15.263 1.00 0.00 H new ATOM 0 HA PHE A 42 7.565 5.509 -13.984 1.00 0.00 H new ATOM 0 HB2 PHE A 42 5.354 6.843 -15.607 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.109 5.318 -14.780 1.00 0.00 H new ATOM 0 HD1 PHE A 42 6.308 5.817 -12.080 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.875 8.310 -14.576 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.519 7.045 -10.089 1.00 0.00 H new ATOM 0 HE2 PHE A 42 3.093 9.540 -12.583 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.916 8.909 -10.341 1.00 0.00 H new ATOM 691 N SER A 43 7.519 5.226 -17.292 1.00 0.00 N ATOM 692 CA SER A 43 7.920 4.312 -18.397 1.00 0.00 C ATOM 693 C SER A 43 9.361 3.727 -18.255 1.00 0.00 C ATOM 694 O SER A 43 9.527 2.514 -18.394 1.00 0.00 O ATOM 695 CB SER A 43 7.741 5.024 -19.758 1.00 0.00 C ATOM 696 OG SER A 43 6.381 5.384 -19.983 1.00 0.00 O ATOM 0 H SER A 43 7.401 6.195 -17.588 1.00 0.00 H new ATOM 0 HA SER A 43 7.257 3.449 -18.339 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.365 5.917 -19.787 1.00 0.00 H new ATOM 0 HB3 SER A 43 8.083 4.370 -20.560 1.00 0.00 H new ATOM 0 HG SER A 43 6.301 5.833 -20.850 1.00 0.00 H new ATOM 702 N GLU A 44 10.378 4.564 -17.959 1.00 0.00 N ATOM 703 CA GLU A 44 11.777 4.116 -17.690 1.00 0.00 C ATOM 704 C GLU A 44 11.977 3.200 -16.440 1.00 0.00 C ATOM 705 O GLU A 44 12.740 2.235 -16.529 1.00 0.00 O ATOM 706 CB GLU A 44 12.704 5.365 -17.613 1.00 0.00 C ATOM 707 CG GLU A 44 12.962 6.118 -18.939 1.00 0.00 C ATOM 708 CD GLU A 44 13.772 5.324 -19.971 1.00 0.00 C ATOM 709 OE1 GLU A 44 15.021 5.327 -19.894 1.00 0.00 O ATOM 710 OE2 GLU A 44 13.161 4.691 -20.861 1.00 0.00 O ATOM 0 H GLU A 44 10.260 5.575 -17.898 1.00 0.00 H new ATOM 0 HA GLU A 44 12.044 3.471 -18.527 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.271 6.067 -16.901 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.666 5.051 -17.207 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.003 6.391 -19.380 1.00 0.00 H new ATOM 0 HG3 GLU A 44 13.488 7.047 -18.719 1.00 0.00 H new ATOM 717 N THR A 45 11.301 3.478 -15.307 1.00 0.00 N ATOM 718 CA THR A 45 11.287 2.598 -14.099 1.00 0.00 C ATOM 719 C THR A 45 10.565 1.226 -14.329 1.00 0.00 C ATOM 720 O THR A 45 11.094 0.199 -13.897 1.00 0.00 O ATOM 721 CB THR A 45 10.736 3.395 -12.880 1.00 0.00 C ATOM 722 OG1 THR A 45 11.469 4.605 -12.702 1.00 0.00 O ATOM 723 CG2 THR A 45 10.789 2.652 -11.532 1.00 0.00 C ATOM 0 H THR A 45 10.742 4.324 -15.194 1.00 0.00 H new ATOM 0 HA THR A 45 12.315 2.310 -13.879 1.00 0.00 H new ATOM 0 HB THR A 45 9.689 3.564 -13.132 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.143 5.281 -13.332 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.383 3.291 -10.748 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.199 1.738 -11.597 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.823 2.400 -11.296 1.00 0.00 H new ATOM 731 N PHE A 46 9.405 1.196 -15.021 1.00 0.00 N ATOM 732 CA PHE A 46 8.767 -0.060 -15.515 1.00 0.00 C ATOM 733 C PHE A 46 9.673 -0.935 -16.447 1.00 0.00 C ATOM 734 O PHE A 46 9.783 -2.138 -16.205 1.00 0.00 O ATOM 735 CB PHE A 46 7.404 0.326 -16.163 1.00 0.00 C ATOM 736 CG PHE A 46 6.520 -0.840 -16.646 1.00 0.00 C ATOM 737 CD1 PHE A 46 5.872 -1.669 -15.723 1.00 0.00 C ATOM 738 CD2 PHE A 46 6.356 -1.077 -18.016 1.00 0.00 C ATOM 739 CE1 PHE A 46 5.075 -2.722 -16.166 1.00 0.00 C ATOM 740 CE2 PHE A 46 5.551 -2.124 -18.455 1.00 0.00 C ATOM 741 CZ PHE A 46 4.913 -2.948 -17.531 1.00 0.00 C ATOM 0 H PHE A 46 8.879 2.038 -15.257 1.00 0.00 H new ATOM 0 HA PHE A 46 8.604 -0.723 -14.665 1.00 0.00 H new ATOM 0 HB2 PHE A 46 6.835 0.909 -15.439 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.603 0.979 -17.013 1.00 0.00 H new ATOM 0 HD1 PHE A 46 5.990 -1.492 -14.664 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.856 -0.445 -18.735 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.582 -3.364 -15.451 1.00 0.00 H new ATOM 0 HE2 PHE A 46 5.421 -2.298 -19.513 1.00 0.00 H new ATOM 0 HZ PHE A 46 4.292 -3.763 -17.873 1.00 0.00 H new ATOM 751 N GLN A 47 10.327 -0.339 -17.464 1.00 0.00 N ATOM 752 CA GLN A 47 11.351 -1.024 -18.310 1.00 0.00 C ATOM 753 C GLN A 47 12.632 -1.528 -17.565 1.00 0.00 C ATOM 754 O GLN A 47 13.155 -2.581 -17.933 1.00 0.00 O ATOM 755 CB GLN A 47 11.760 -0.085 -19.480 1.00 0.00 C ATOM 756 CG GLN A 47 10.665 0.198 -20.538 1.00 0.00 C ATOM 757 CD GLN A 47 11.059 1.321 -21.512 1.00 0.00 C ATOM 758 OE1 GLN A 47 10.905 2.505 -21.216 1.00 0.00 O ATOM 759 NE2 GLN A 47 11.572 0.979 -22.685 1.00 0.00 N ATOM 0 H GLN A 47 10.167 0.633 -17.730 1.00 0.00 H new ATOM 0 HA GLN A 47 10.865 -1.932 -18.665 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.085 0.866 -19.059 1.00 0.00 H new ATOM 0 HB3 GLN A 47 12.622 -0.521 -19.985 1.00 0.00 H new ATOM 0 HG2 GLN A 47 10.466 -0.713 -21.102 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.738 0.469 -20.033 1.00 0.00 H new ATOM 0 HE21 GLN A 47 11.695 -0.006 -22.920 1.00 0.00 H new ATOM 0 HE22 GLN A 47 11.844 1.701 -23.353 1.00 0.00 H new ATOM 768 N LYS A 48 13.120 -0.813 -16.528 1.00 0.00 N ATOM 769 CA LYS A 48 14.221 -1.278 -15.636 1.00 0.00 C ATOM 770 C LYS A 48 13.936 -2.627 -14.894 1.00 0.00 C ATOM 771 O LYS A 48 14.790 -3.518 -14.930 1.00 0.00 O ATOM 772 CB LYS A 48 14.557 -0.102 -14.679 1.00 0.00 C ATOM 773 CG LYS A 48 15.796 -0.295 -13.777 1.00 0.00 C ATOM 774 CD LYS A 48 16.156 0.952 -12.937 1.00 0.00 C ATOM 775 CE LYS A 48 15.134 1.364 -11.838 1.00 0.00 C ATOM 776 NZ LYS A 48 15.073 0.398 -10.725 1.00 0.00 N ATOM 0 H LYS A 48 12.763 0.110 -16.279 1.00 0.00 H new ATOM 0 HA LYS A 48 15.089 -1.534 -16.243 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.705 0.797 -15.278 1.00 0.00 H new ATOM 0 HB3 LYS A 48 13.692 0.079 -14.041 1.00 0.00 H new ATOM 0 HG2 LYS A 48 15.618 -1.135 -13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.650 -0.561 -14.400 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.119 0.775 -12.459 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.287 1.795 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 48 15.403 2.345 -11.447 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.145 1.459 -12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 14.378 0.721 -10.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 14.790 -0.534 -11.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 16.009 0.325 -10.277 1.00 0.00 H new ATOM 790 N VAL A 49 12.750 -2.789 -14.268 1.00 0.00 N ATOM 791 CA VAL A 49 12.309 -4.087 -13.667 1.00 0.00 C ATOM 792 C VAL A 49 12.017 -5.171 -14.754 1.00 0.00 C ATOM 793 O VAL A 49 12.533 -6.285 -14.632 1.00 0.00 O ATOM 794 CB VAL A 49 11.096 -3.941 -12.682 1.00 0.00 C ATOM 795 CG1 VAL A 49 10.864 -5.213 -11.830 1.00 0.00 C ATOM 796 CG2 VAL A 49 11.166 -2.744 -11.700 1.00 0.00 C ATOM 0 H VAL A 49 12.070 -2.037 -14.160 1.00 0.00 H new ATOM 0 HA VAL A 49 13.155 -4.426 -13.070 1.00 0.00 H new ATOM 0 HB VAL A 49 10.269 -3.765 -13.370 1.00 0.00 H new ATOM 0 HG11 VAL A 49 10.013 -5.057 -11.167 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.661 -6.059 -12.487 1.00 0.00 H new ATOM 0 HG13 VAL A 49 11.754 -5.420 -11.236 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.278 -2.740 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 49 12.055 -2.836 -11.076 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.214 -1.813 -12.264 1.00 0.00 H new ATOM 806 N LYS A 50 11.188 -4.863 -15.776 1.00 0.00 N ATOM 807 CA LYS A 50 10.730 -5.839 -16.789 1.00 0.00 C ATOM 808 C LYS A 50 11.859 -6.462 -17.669 1.00 0.00 C ATOM 809 O LYS A 50 11.958 -7.689 -17.741 1.00 0.00 O ATOM 810 CB LYS A 50 9.635 -5.118 -17.619 1.00 0.00 C ATOM 811 CG LYS A 50 8.746 -6.043 -18.465 1.00 0.00 C ATOM 812 CD LYS A 50 7.660 -5.272 -19.236 1.00 0.00 C ATOM 813 CE LYS A 50 8.087 -4.805 -20.640 1.00 0.00 C ATOM 814 NZ LYS A 50 6.954 -4.240 -21.393 1.00 0.00 N ATOM 0 H LYS A 50 10.816 -3.925 -15.922 1.00 0.00 H new ATOM 0 HA LYS A 50 10.332 -6.721 -16.286 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.000 -4.551 -16.939 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.117 -4.398 -18.280 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.368 -6.593 -19.172 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.273 -6.780 -17.816 1.00 0.00 H new ATOM 0 HD2 LYS A 50 6.779 -5.906 -19.330 1.00 0.00 H new ATOM 0 HD3 LYS A 50 7.365 -4.401 -18.651 1.00 0.00 H new ATOM 0 HE2 LYS A 50 8.874 -4.057 -20.551 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.507 -5.646 -21.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.279 -3.936 -22.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 6.213 -4.962 -21.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.569 -3.422 -20.879 1.00 0.00 H new ATOM 828 N GLU A 51 12.723 -5.633 -18.290 1.00 0.00 N ATOM 829 CA GLU A 51 13.911 -6.115 -19.053 1.00 0.00 C ATOM 830 C GLU A 51 15.052 -6.817 -18.238 1.00 0.00 C ATOM 831 O GLU A 51 15.929 -7.421 -18.863 1.00 0.00 O ATOM 832 CB GLU A 51 14.489 -4.961 -19.925 1.00 0.00 C ATOM 833 CG GLU A 51 13.556 -4.344 -20.997 1.00 0.00 C ATOM 834 CD GLU A 51 13.154 -5.310 -22.118 1.00 0.00 C ATOM 835 OE1 GLU A 51 13.876 -5.386 -23.137 1.00 0.00 O ATOM 836 OE2 GLU A 51 12.121 -6.003 -21.981 1.00 0.00 O ATOM 0 H GLU A 51 12.626 -4.618 -18.282 1.00 0.00 H new ATOM 0 HA GLU A 51 13.515 -6.922 -19.670 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.810 -4.162 -19.257 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.381 -5.333 -20.428 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.653 -3.978 -20.508 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.052 -3.480 -21.439 1.00 0.00 H new ATOM 843 N LYS A 52 15.031 -6.803 -16.886 1.00 0.00 N ATOM 844 CA LYS A 52 15.835 -7.738 -16.052 1.00 0.00 C ATOM 845 C LYS A 52 15.047 -9.052 -15.749 1.00 0.00 C ATOM 846 O LYS A 52 15.544 -10.136 -16.066 1.00 0.00 O ATOM 847 CB LYS A 52 16.329 -7.037 -14.753 1.00 0.00 C ATOM 848 CG LYS A 52 17.346 -5.879 -14.919 1.00 0.00 C ATOM 849 CD LYS A 52 18.714 -6.225 -15.547 1.00 0.00 C ATOM 850 CE LYS A 52 19.574 -7.199 -14.720 1.00 0.00 C ATOM 851 NZ LYS A 52 20.884 -7.434 -15.352 1.00 0.00 N ATOM 0 H LYS A 52 14.464 -6.152 -16.343 1.00 0.00 H new ATOM 0 HA LYS A 52 16.719 -8.026 -16.621 1.00 0.00 H new ATOM 0 HB2 LYS A 52 15.458 -6.649 -14.226 1.00 0.00 H new ATOM 0 HB3 LYS A 52 16.780 -7.794 -14.111 1.00 0.00 H new ATOM 0 HG2 LYS A 52 16.880 -5.105 -15.529 1.00 0.00 H new ATOM 0 HG3 LYS A 52 17.526 -5.444 -13.936 1.00 0.00 H new ATOM 0 HD2 LYS A 52 18.547 -6.657 -16.534 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.275 -5.302 -15.694 1.00 0.00 H new ATOM 0 HE2 LYS A 52 19.720 -6.796 -13.718 1.00 0.00 H new ATOM 0 HE3 LYS A 52 19.047 -8.147 -14.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 21.437 -8.094 -14.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 20.745 -7.841 -16.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.396 -6.533 -15.435 1.00 0.00 H new ATOM 865 N LEU A 53 13.852 -8.961 -15.128 1.00 0.00 N ATOM 866 CA LEU A 53 13.158 -10.102 -14.502 1.00 0.00 C ATOM 867 C LEU A 53 12.026 -10.682 -15.404 1.00 0.00 C ATOM 868 O LEU A 53 12.172 -11.813 -15.875 1.00 0.00 O ATOM 869 CB LEU A 53 12.678 -9.613 -13.110 1.00 0.00 C ATOM 870 CG LEU A 53 13.742 -9.238 -12.034 1.00 0.00 C ATOM 871 CD1 LEU A 53 13.062 -8.616 -10.800 1.00 0.00 C ATOM 872 CD2 LEU A 53 14.628 -10.428 -11.612 1.00 0.00 C ATOM 0 H LEU A 53 13.338 -8.084 -15.047 1.00 0.00 H new ATOM 0 HA LEU A 53 13.828 -10.952 -14.377 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.047 -8.738 -13.268 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.043 -10.392 -12.688 1.00 0.00 H new ATOM 0 HG LEU A 53 14.404 -8.506 -12.497 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.818 -8.360 -10.058 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.524 -7.715 -11.096 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.361 -9.332 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.346 -10.099 -10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 53 14.003 -11.217 -11.194 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.162 -10.811 -12.482 1.00 0.00 H new ATOM 884 N LYS A 54 10.913 -9.945 -15.629 1.00 0.00 N ATOM 885 CA LYS A 54 9.710 -10.476 -16.330 1.00 0.00 C ATOM 886 C LYS A 54 9.864 -10.243 -17.857 1.00 0.00 C ATOM 887 O LYS A 54 9.614 -9.142 -18.356 1.00 0.00 O ATOM 888 CB LYS A 54 8.408 -9.810 -15.793 1.00 0.00 C ATOM 889 CG LYS A 54 7.868 -10.278 -14.418 1.00 0.00 C ATOM 890 CD LYS A 54 8.670 -9.900 -13.149 1.00 0.00 C ATOM 891 CE LYS A 54 8.950 -8.401 -12.911 1.00 0.00 C ATOM 892 NZ LYS A 54 7.733 -7.606 -12.655 1.00 0.00 N ATOM 0 H LYS A 54 10.819 -8.973 -15.334 1.00 0.00 H new ATOM 0 HA LYS A 54 9.629 -11.546 -16.137 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.581 -8.735 -15.736 1.00 0.00 H new ATOM 0 HB3 LYS A 54 7.622 -9.968 -16.532 1.00 0.00 H new ATOM 0 HG2 LYS A 54 6.859 -9.882 -14.304 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.782 -11.364 -14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.132 -10.285 -12.283 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.627 -10.420 -13.187 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.627 -8.297 -12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.464 -7.993 -13.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 7.994 -6.611 -12.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 7.094 -7.676 -13.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 7.252 -7.970 -11.808 1.00 0.00 H new ATOM 906 N ILE A 55 10.300 -11.291 -18.590 1.00 0.00 N ATOM 907 CA ILE A 55 10.621 -11.228 -20.047 1.00 0.00 C ATOM 908 C ILE A 55 11.852 -10.285 -20.266 1.00 0.00 C ATOM 909 O ILE A 55 11.687 -9.076 -20.463 1.00 0.00 O ATOM 910 CB ILE A 55 9.386 -10.986 -20.998 1.00 0.00 C ATOM 911 CG1 ILE A 55 8.217 -12.009 -20.816 1.00 0.00 C ATOM 912 CG2 ILE A 55 9.805 -11.002 -22.492 1.00 0.00 C ATOM 913 CD1 ILE A 55 7.198 -11.696 -19.708 1.00 0.00 C ATOM 0 H ILE A 55 10.443 -12.218 -18.189 1.00 0.00 H new ATOM 0 HA ILE A 55 10.917 -12.225 -20.373 1.00 0.00 H new ATOM 0 HB ILE A 55 9.019 -10.002 -20.705 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.680 -12.085 -21.762 1.00 0.00 H new ATOM 0 HG13 ILE A 55 8.649 -12.989 -20.615 1.00 0.00 H new ATOM 0 HG21 ILE A 55 8.929 -10.832 -23.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 10.538 -10.216 -22.673 1.00 0.00 H new ATOM 0 HG23 ILE A 55 10.243 -11.970 -22.737 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.438 -12.477 -19.681 1.00 0.00 H new ATOM 0 HD12 ILE A 55 7.708 -11.653 -18.746 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.724 -10.736 -19.910 1.00 0.00 H new ATOM 925 N ASP A 56 13.071 -10.857 -20.211 1.00 0.00 N ATOM 926 CA ASP A 56 14.337 -10.074 -20.269 1.00 0.00 C ATOM 927 C ASP A 56 14.630 -9.387 -21.642 1.00 0.00 C ATOM 928 O ASP A 56 14.730 -8.159 -21.677 1.00 0.00 O ATOM 929 CB ASP A 56 15.533 -10.860 -19.660 1.00 0.00 C ATOM 930 CG ASP A 56 15.990 -12.143 -20.375 1.00 0.00 C ATOM 931 OD1 ASP A 56 15.394 -13.215 -20.131 1.00 0.00 O ATOM 932 OD2 ASP A 56 16.944 -12.078 -21.181 1.00 0.00 O ATOM 0 H ASP A 56 13.213 -11.863 -20.126 1.00 0.00 H new ATOM 0 HA ASP A 56 14.182 -9.214 -19.618 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.386 -10.184 -19.609 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.273 -11.123 -18.635 1.00 0.00 H new ATOM 937 N SER A 57 14.745 -10.153 -22.752 1.00 0.00 N ATOM 938 CA SER A 57 14.912 -9.618 -24.134 1.00 0.00 C ATOM 939 C SER A 57 16.271 -8.907 -24.343 1.00 0.00 C ATOM 940 O SER A 57 17.230 -9.572 -24.798 1.00 0.00 O ATOM 941 CB SER A 57 13.701 -8.799 -24.649 1.00 0.00 C ATOM 942 OG SER A 57 12.505 -9.569 -24.614 1.00 0.00 O ATOM 943 OXT SER A 57 16.391 -7.695 -24.050 1.00 0.00 O ATOM 0 H SER A 57 14.725 -11.172 -22.718 1.00 0.00 H new ATOM 0 HA SER A 57 14.933 -10.498 -24.777 1.00 0.00 H new ATOM 0 HB2 SER A 57 13.578 -7.904 -24.039 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.892 -8.465 -25.669 1.00 0.00 H new ATOM 0 HG SER A 57 11.757 -9.027 -24.943 1.00 0.00 H new TER 949 SER A 57