USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 819 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 3 GLN : amide:sc= -0.0662 X(o=-0.066,f=-0.14) USER MOD Single : A 7 GLN : amide:sc= -0.38 X(o=-0.38,f=-0.19) USER MOD Single : A 13 HIS : no HD1:sc= -0.147 X(o=-0.15,f=-0.18) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.33 F(o=-1,f=-0.33) USER MOD Single : A 17 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0444) USER MOD Single : A 19 LYS NZ :NH3+ -174:sc=-0.00448 (180deg=-0.0633) USER MOD Single : A 21 SER OG : rot -80:sc= -0.987 USER MOD Single : A 22 THR OG1 : rot -61:sc= -1.12 USER MOD Single : A 23 TYR OH : rot 150:sc= -0.116 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 163:sc= -0.73 (180deg=-1.21) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS :FLIP no HD1:sc= -0.0192 F(o=-1.1,f=-0.019) USER MOD Single : A 41 LYS NZ :NH3+ -168:sc= -0.0391 (180deg=-0.253) USER MOD Single : A 45 ASN : amide:sc= -0.0266 X(o=-0.027,f=-0.01) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 167:sc= -0.0431 (180deg=-0.22) USER MOD Single : A 59 ASN : amide:sc= -2.07! C(o=-2.1!,f=-6.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -45:sc= 0.899 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.3! C(o=-1.3!,f=-4.6!) USER MOD Single : A 75 LYS NZ :NH3+ 173:sc= 0.785 (180deg=0.459) USER MOD Single : A 76 GLN : amide:sc= -0.524 K(o=-0.52,f=-3.9!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ 178:sc= 1.1 (180deg=1.1) USER MOD Single : A 96 TYR OH : rot 150:sc= 0.822 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 20 N ASP A 2 -10.310 -7.675 15.272 1.00 71.24 N ATOM 21 CA ASP A 2 -10.677 -8.922 14.591 1.00 54.21 C ATOM 22 C ASP A 2 -9.513 -9.508 13.772 1.00 51.22 C ATOM 23 O ASP A 2 -8.678 -8.770 13.239 1.00 72.54 O ATOM 24 CB ASP A 2 -11.898 -8.688 13.698 1.00 12.10 C ATOM 25 CG ASP A 2 -13.091 -8.197 14.498 1.00 31.12 C ATOM 26 OD1 ASP A 2 -13.683 -9.006 15.241 1.00 3.31 O ATOM 27 OD2 ASP A 2 -13.427 -6.994 14.408 1.00 53.33 O ATOM 0 HA ASP A 2 -10.923 -9.655 15.359 1.00 54.21 H new ATOM 0 HB2 ASP A 2 -11.651 -7.958 12.927 1.00 12.10 H new ATOM 0 HB3 ASP A 2 -12.159 -9.615 13.187 1.00 12.10 H new ATOM 32 N GLN A 3 -9.480 -10.843 13.674 1.00 24.43 N ATOM 33 CA GLN A 3 -8.419 -11.560 12.948 1.00 63.02 C ATOM 34 C GLN A 3 -8.207 -11.003 11.531 1.00 35.52 C ATOM 35 O GLN A 3 -7.078 -10.953 11.047 1.00 72.31 O ATOM 36 CB GLN A 3 -8.736 -13.063 12.874 1.00 74.35 C ATOM 37 CG GLN A 3 -8.652 -13.788 14.217 1.00 10.11 C ATOM 38 CD GLN A 3 -7.242 -13.807 14.793 1.00 52.21 C ATOM 39 OE1 GLN A 3 -6.849 -12.926 15.552 1.00 33.31 O ATOM 40 NE2 GLN A 3 -6.467 -14.807 14.430 1.00 34.54 N ATOM 0 H GLN A 3 -10.181 -11.455 14.092 1.00 24.43 H new ATOM 0 HA GLN A 3 -7.495 -11.410 13.506 1.00 63.02 H new ATOM 0 HB2 GLN A 3 -9.739 -13.192 12.466 1.00 74.35 H new ATOM 0 HB3 GLN A 3 -8.045 -13.535 12.175 1.00 74.35 H new ATOM 0 HG2 GLN A 3 -9.323 -13.305 14.928 1.00 10.11 H new ATOM 0 HG3 GLN A 3 -9.003 -14.813 14.094 1.00 10.11 H new ATOM 0 HE21 GLN A 3 -6.822 -15.524 13.798 1.00 34.54 H new ATOM 0 HE22 GLN A 3 -5.511 -14.865 14.781 1.00 34.54 H new ATOM 49 N PHE A 4 -9.291 -10.586 10.875 1.00 71.31 N ATOM 50 CA PHE A 4 -9.200 -9.963 9.549 1.00 34.52 C ATOM 51 C PHE A 4 -8.151 -8.839 9.528 1.00 11.20 C ATOM 52 O PHE A 4 -7.208 -8.870 8.734 1.00 61.10 O ATOM 53 CB PHE A 4 -10.570 -9.415 9.120 1.00 21.10 C ATOM 54 CG PHE A 4 -10.530 -8.639 7.824 1.00 73.02 C ATOM 55 CD1 PHE A 4 -10.279 -9.284 6.622 1.00 23.32 C ATOM 56 CD2 PHE A 4 -10.740 -7.265 7.809 1.00 5.54 C ATOM 57 CE1 PHE A 4 -10.237 -8.579 5.435 1.00 61.21 C ATOM 58 CE2 PHE A 4 -10.700 -6.555 6.624 1.00 23.04 C ATOM 59 CZ PHE A 4 -10.448 -7.213 5.436 1.00 23.22 C ATOM 0 H PHE A 4 -10.241 -10.667 11.237 1.00 71.31 H new ATOM 0 HA PHE A 4 -8.886 -10.731 8.842 1.00 34.52 H new ATOM 0 HB2 PHE A 4 -11.268 -10.246 9.016 1.00 21.10 H new ATOM 0 HB3 PHE A 4 -10.958 -8.770 9.909 1.00 21.10 H new ATOM 0 HD1 PHE A 4 -10.114 -10.351 6.614 1.00 23.32 H new ATOM 0 HD2 PHE A 4 -10.937 -6.746 8.735 1.00 5.54 H new ATOM 0 HE1 PHE A 4 -10.039 -9.095 4.507 1.00 61.21 H new ATOM 0 HE2 PHE A 4 -10.865 -5.488 6.627 1.00 23.04 H new ATOM 0 HZ PHE A 4 -10.416 -6.661 4.509 1.00 23.22 H new ATOM 69 N LEU A 5 -8.311 -7.862 10.420 1.00 1.52 N ATOM 70 CA LEU A 5 -7.379 -6.733 10.510 1.00 24.10 C ATOM 71 C LEU A 5 -5.981 -7.204 10.934 1.00 60.21 C ATOM 72 O LEU A 5 -4.971 -6.780 10.371 1.00 10.53 O ATOM 73 CB LEU A 5 -7.902 -5.684 11.504 1.00 73.24 C ATOM 74 CG LEU A 5 -9.261 -5.055 11.147 1.00 72.43 C ATOM 75 CD1 LEU A 5 -9.690 -4.059 12.223 1.00 72.40 C ATOM 76 CD2 LEU A 5 -9.201 -4.377 9.779 1.00 72.04 C ATOM 0 H LEU A 5 -9.077 -7.828 11.092 1.00 1.52 H new ATOM 0 HA LEU A 5 -7.304 -6.281 9.521 1.00 24.10 H new ATOM 0 HB2 LEU A 5 -7.983 -6.148 12.487 1.00 73.24 H new ATOM 0 HB3 LEU A 5 -7.163 -4.887 11.588 1.00 73.24 H new ATOM 0 HG LEU A 5 -10.004 -5.851 11.100 1.00 72.43 H new ATOM 0 HD11 LEU A 5 -10.653 -3.625 11.954 1.00 72.40 H new ATOM 0 HD12 LEU A 5 -9.779 -4.573 13.180 1.00 72.40 H new ATOM 0 HD13 LEU A 5 -8.945 -3.268 12.304 1.00 72.40 H new ATOM 0 HD21 LEU A 5 -10.172 -3.939 9.547 1.00 72.04 H new ATOM 0 HD22 LEU A 5 -8.444 -3.593 9.794 1.00 72.04 H new ATOM 0 HD23 LEU A 5 -8.944 -5.114 9.018 1.00 72.04 H new ATOM 88 N VAL A 6 -5.935 -8.091 11.926 1.00 13.11 N ATOM 89 CA VAL A 6 -4.668 -8.636 12.431 1.00 44.11 C ATOM 90 C VAL A 6 -3.833 -9.272 11.306 1.00 42.14 C ATOM 91 O VAL A 6 -2.639 -8.998 11.173 1.00 62.25 O ATOM 92 CB VAL A 6 -4.915 -9.695 13.539 1.00 13.21 C ATOM 93 CG1 VAL A 6 -3.596 -10.291 14.036 1.00 44.23 C ATOM 94 CG2 VAL A 6 -5.705 -9.088 14.698 1.00 44.21 C ATOM 0 H VAL A 6 -6.763 -8.452 12.401 1.00 13.11 H new ATOM 0 HA VAL A 6 -4.113 -7.797 12.850 1.00 44.11 H new ATOM 0 HB VAL A 6 -5.505 -10.503 13.106 1.00 13.21 H new ATOM 0 HG11 VAL A 6 -3.800 -11.029 14.811 1.00 44.23 H new ATOM 0 HG12 VAL A 6 -3.078 -10.770 13.206 1.00 44.23 H new ATOM 0 HG13 VAL A 6 -2.970 -9.498 14.445 1.00 44.23 H new ATOM 0 HG21 VAL A 6 -5.868 -9.846 15.464 1.00 44.21 H new ATOM 0 HG22 VAL A 6 -5.144 -8.256 15.124 1.00 44.21 H new ATOM 0 HG23 VAL A 6 -6.667 -8.728 14.334 1.00 44.21 H new ATOM 104 N GLN A 7 -4.475 -10.109 10.494 1.00 3.42 N ATOM 105 CA GLN A 7 -3.782 -10.843 9.429 1.00 71.05 C ATOM 106 C GLN A 7 -3.330 -9.923 8.285 1.00 44.42 C ATOM 107 O GLN A 7 -2.158 -9.940 7.901 1.00 22.32 O ATOM 108 CB GLN A 7 -4.677 -11.964 8.883 1.00 71.23 C ATOM 109 CG GLN A 7 -4.989 -13.056 9.904 1.00 61.30 C ATOM 110 CD GLN A 7 -3.735 -13.702 10.473 1.00 14.35 C ATOM 111 OE1 GLN A 7 -3.222 -14.677 9.933 1.00 0.12 O ATOM 112 NE2 GLN A 7 -3.234 -13.171 11.570 1.00 72.25 N ATOM 0 H GLN A 7 -5.476 -10.298 10.551 1.00 3.42 H new ATOM 0 HA GLN A 7 -2.885 -11.278 9.871 1.00 71.05 H new ATOM 0 HB2 GLN A 7 -5.613 -11.530 8.531 1.00 71.23 H new ATOM 0 HB3 GLN A 7 -4.191 -12.416 8.019 1.00 71.23 H new ATOM 0 HG2 GLN A 7 -5.575 -12.630 10.718 1.00 61.30 H new ATOM 0 HG3 GLN A 7 -5.606 -13.822 9.434 1.00 61.30 H new ATOM 0 HE21 GLN A 7 -3.683 -12.360 11.995 1.00 72.25 H new ATOM 0 HE22 GLN A 7 -2.397 -13.571 11.994 1.00 72.25 H new ATOM 121 N ILE A 8 -4.249 -9.121 7.741 1.00 22.52 N ATOM 122 CA ILE A 8 -3.908 -8.230 6.621 1.00 1.41 C ATOM 123 C ILE A 8 -2.776 -7.256 6.998 1.00 41.22 C ATOM 124 O ILE A 8 -1.858 -7.024 6.209 1.00 71.53 O ATOM 125 CB ILE A 8 -5.134 -7.432 6.092 1.00 1.24 C ATOM 126 CG1 ILE A 8 -5.725 -6.524 7.184 1.00 0.53 C ATOM 127 CG2 ILE A 8 -6.200 -8.388 5.554 1.00 74.24 C ATOM 128 CD1 ILE A 8 -6.879 -5.661 6.710 1.00 5.53 C ATOM 0 H ILE A 8 -5.220 -9.067 8.049 1.00 22.52 H new ATOM 0 HA ILE A 8 -3.564 -8.881 5.817 1.00 1.41 H new ATOM 0 HB ILE A 8 -4.792 -6.793 5.278 1.00 1.24 H new ATOM 0 HG12 ILE A 8 -6.065 -7.144 8.013 1.00 0.53 H new ATOM 0 HG13 ILE A 8 -4.937 -5.878 7.571 1.00 0.53 H new ATOM 0 HG21 ILE A 8 -7.051 -7.815 5.188 1.00 74.24 H new ATOM 0 HG22 ILE A 8 -5.782 -8.978 4.738 1.00 74.24 H new ATOM 0 HG23 ILE A 8 -6.528 -9.054 6.352 1.00 74.24 H new ATOM 0 HD11 ILE A 8 -7.240 -5.050 7.537 1.00 5.53 H new ATOM 0 HD12 ILE A 8 -6.541 -5.013 5.901 1.00 5.53 H new ATOM 0 HD13 ILE A 8 -7.686 -6.299 6.350 1.00 5.53 H new ATOM 140 N PHE A 9 -2.830 -6.712 8.215 1.00 62.34 N ATOM 141 CA PHE A 9 -1.784 -5.802 8.696 1.00 40.12 C ATOM 142 C PHE A 9 -0.469 -6.556 8.961 1.00 43.20 C ATOM 143 O PHE A 9 0.616 -6.029 8.718 1.00 61.21 O ATOM 144 CB PHE A 9 -2.250 -5.067 9.964 1.00 24.32 C ATOM 145 CG PHE A 9 -3.451 -4.170 9.757 1.00 62.24 C ATOM 146 CD1 PHE A 9 -3.820 -3.748 8.486 1.00 22.22 C ATOM 147 CD2 PHE A 9 -4.207 -3.742 10.840 1.00 45.44 C ATOM 148 CE1 PHE A 9 -4.915 -2.925 8.303 1.00 34.23 C ATOM 149 CE2 PHE A 9 -5.302 -2.919 10.660 1.00 25.11 C ATOM 150 CZ PHE A 9 -5.657 -2.510 9.391 1.00 12.12 C ATOM 0 H PHE A 9 -3.581 -6.883 8.883 1.00 62.34 H new ATOM 0 HA PHE A 9 -1.596 -5.065 7.916 1.00 40.12 H new ATOM 0 HB2 PHE A 9 -2.490 -5.804 10.730 1.00 24.32 H new ATOM 0 HB3 PHE A 9 -1.424 -4.467 10.346 1.00 24.32 H new ATOM 0 HD1 PHE A 9 -3.244 -4.067 7.630 1.00 22.22 H new ATOM 0 HD2 PHE A 9 -3.935 -4.057 11.837 1.00 45.44 H new ATOM 0 HE1 PHE A 9 -5.190 -2.606 7.309 1.00 34.23 H new ATOM 0 HE2 PHE A 9 -5.880 -2.596 11.513 1.00 25.11 H new ATOM 0 HZ PHE A 9 -6.513 -1.867 9.249 1.00 12.12 H new ATOM 160 N ALA A 10 -0.569 -7.795 9.448 1.00 22.23 N ATOM 161 CA ALA A 10 0.615 -8.640 9.667 1.00 31.13 C ATOM 162 C ALA A 10 1.406 -8.843 8.365 1.00 43.10 C ATOM 163 O ALA A 10 2.638 -8.870 8.367 1.00 11.30 O ATOM 164 CB ALA A 10 0.209 -9.985 10.258 1.00 32.12 C ATOM 0 H ALA A 10 -1.453 -8.237 9.699 1.00 22.23 H new ATOM 0 HA ALA A 10 1.264 -8.127 10.376 1.00 31.13 H new ATOM 0 HB1 ALA A 10 1.097 -10.597 10.413 1.00 32.12 H new ATOM 0 HB2 ALA A 10 -0.294 -9.826 11.212 1.00 32.12 H new ATOM 0 HB3 ALA A 10 -0.467 -10.495 9.572 1.00 32.12 H new ATOM 170 N VAL A 11 0.690 -8.991 7.253 1.00 14.35 N ATOM 171 CA VAL A 11 1.325 -9.100 5.935 1.00 44.34 C ATOM 172 C VAL A 11 2.023 -7.781 5.555 1.00 43.34 C ATOM 173 O VAL A 11 3.159 -7.778 5.079 1.00 41.52 O ATOM 174 CB VAL A 11 0.297 -9.475 4.835 1.00 41.23 C ATOM 175 CG1 VAL A 11 0.983 -9.669 3.482 1.00 62.44 C ATOM 176 CG2 VAL A 11 -0.483 -10.728 5.232 1.00 51.34 C ATOM 0 H VAL A 11 -0.329 -9.039 7.234 1.00 14.35 H new ATOM 0 HA VAL A 11 2.067 -9.896 6.001 1.00 44.34 H new ATOM 0 HB VAL A 11 -0.407 -8.649 4.737 1.00 41.23 H new ATOM 0 HG11 VAL A 11 0.238 -9.931 2.731 1.00 62.44 H new ATOM 0 HG12 VAL A 11 1.482 -8.745 3.191 1.00 62.44 H new ATOM 0 HG13 VAL A 11 1.718 -10.470 3.558 1.00 62.44 H new ATOM 0 HG21 VAL A 11 -1.199 -10.975 4.448 1.00 51.34 H new ATOM 0 HG22 VAL A 11 0.209 -11.560 5.367 1.00 51.34 H new ATOM 0 HG23 VAL A 11 -1.016 -10.544 6.165 1.00 51.34 H new ATOM 186 N ILE A 12 1.338 -6.664 5.796 1.00 24.41 N ATOM 187 CA ILE A 12 1.885 -5.331 5.517 1.00 32.12 C ATOM 188 C ILE A 12 3.113 -5.018 6.399 1.00 24.43 C ATOM 189 O ILE A 12 4.021 -4.296 5.989 1.00 32.44 O ATOM 190 CB ILE A 12 0.800 -4.243 5.722 1.00 45.14 C ATOM 191 CG1 ILE A 12 -0.415 -4.541 4.827 1.00 61.11 C ATOM 192 CG2 ILE A 12 1.356 -2.848 5.431 1.00 4.41 C ATOM 193 CD1 ILE A 12 -1.585 -3.607 5.046 1.00 45.15 C ATOM 0 H ILE A 12 0.396 -6.653 6.187 1.00 24.41 H new ATOM 0 HA ILE A 12 2.208 -5.327 4.476 1.00 32.12 H new ATOM 0 HB ILE A 12 0.484 -4.262 6.765 1.00 45.14 H new ATOM 0 HG12 ILE A 12 -0.107 -4.483 3.783 1.00 61.11 H new ATOM 0 HG13 ILE A 12 -0.743 -5.565 5.006 1.00 61.11 H new ATOM 0 HG21 ILE A 12 0.573 -2.105 5.583 1.00 4.41 H new ATOM 0 HG22 ILE A 12 2.188 -2.641 6.103 1.00 4.41 H new ATOM 0 HG23 ILE A 12 1.703 -2.803 4.399 1.00 4.41 H new ATOM 0 HD11 ILE A 12 -2.401 -3.883 4.378 1.00 45.15 H new ATOM 0 HD12 ILE A 12 -1.922 -3.682 6.080 1.00 45.15 H new ATOM 0 HD13 ILE A 12 -1.277 -2.582 4.838 1.00 45.15 H new ATOM 205 N HIS A 13 3.147 -5.582 7.607 1.00 5.00 N ATOM 206 CA HIS A 13 4.313 -5.443 8.494 1.00 53.33 C ATOM 207 C HIS A 13 5.578 -6.085 7.895 1.00 32.21 C ATOM 208 O HIS A 13 6.687 -5.873 8.393 1.00 62.02 O ATOM 209 CB HIS A 13 4.028 -6.069 9.867 1.00 31.23 C ATOM 210 CG HIS A 13 3.326 -5.152 10.819 1.00 23.23 C ATOM 211 ND1 HIS A 13 3.979 -4.081 11.380 1.00 52.23 N ATOM 212 CD2 HIS A 13 2.058 -5.193 11.293 1.00 14.54 C ATOM 213 CE1 HIS A 13 3.101 -3.500 12.175 1.00 12.41 C ATOM 214 NE2 HIS A 13 1.923 -4.138 12.158 1.00 62.02 N ATOM 0 H HIS A 13 2.386 -6.138 7.997 1.00 5.00 H new ATOM 0 HA HIS A 13 4.495 -4.374 8.608 1.00 53.33 H new ATOM 0 HB2 HIS A 13 3.423 -6.965 9.728 1.00 31.23 H new ATOM 0 HB3 HIS A 13 4.970 -6.387 10.313 1.00 31.23 H new ATOM 0 HD2 HIS A 13 1.299 -5.918 11.038 1.00 14.54 H new ATOM 0 HE1 HIS A 13 3.306 -2.620 12.766 1.00 12.41 H new ATOM 0 HE2 HIS A 13 1.087 -3.887 12.686 1.00 62.02 H new ATOM 222 N GLN A 14 5.408 -6.875 6.836 1.00 51.11 N ATOM 223 CA GLN A 14 6.525 -7.592 6.208 1.00 51.53 C ATOM 224 C GLN A 14 7.012 -6.902 4.916 1.00 52.54 C ATOM 225 O GLN A 14 7.915 -7.405 4.238 1.00 11.10 O ATOM 226 CB GLN A 14 6.103 -9.043 5.928 1.00 55.20 C ATOM 227 CG GLN A 14 5.820 -9.845 7.199 1.00 32.11 C ATOM 228 CD GLN A 14 5.130 -11.173 6.928 1.00 50.32 C ATOM 229 OE1 GLN A 14 3.814 -11.181 6.983 1.00 72.44 O flip ATOM 230 NE2 GLN A 14 5.776 -12.187 6.694 1.00 43.42 N flip ATOM 0 H GLN A 14 4.505 -7.037 6.391 1.00 51.11 H new ATOM 0 HA GLN A 14 7.367 -7.582 6.900 1.00 51.53 H new ATOM 0 HB2 GLN A 14 5.211 -9.040 5.302 1.00 55.20 H new ATOM 0 HB3 GLN A 14 6.890 -9.540 5.360 1.00 55.20 H new ATOM 0 HG2 GLN A 14 6.759 -10.031 7.720 1.00 32.11 H new ATOM 0 HG3 GLN A 14 5.197 -9.249 7.866 1.00 32.11 H new ATOM 0 HE21 GLN A 14 6.795 -12.146 6.658 1.00 43.42 H new ATOM 0 HE22 GLN A 14 5.295 -13.072 6.535 1.00 43.42 H new ATOM 239 N ILE A 15 6.430 -5.742 4.588 1.00 72.15 N ATOM 240 CA ILE A 15 6.858 -4.964 3.412 1.00 54.42 C ATOM 241 C ILE A 15 8.252 -4.349 3.637 1.00 11.34 C ATOM 242 O ILE A 15 8.488 -3.708 4.665 1.00 45.01 O ATOM 243 CB ILE A 15 5.875 -3.809 3.079 1.00 72.44 C ATOM 244 CG1 ILE A 15 4.432 -4.312 2.970 1.00 63.03 C ATOM 245 CG2 ILE A 15 6.283 -3.121 1.777 1.00 10.30 C ATOM 246 CD1 ILE A 15 4.220 -5.365 1.901 1.00 3.21 C ATOM 0 H ILE A 15 5.665 -5.321 5.115 1.00 72.15 H new ATOM 0 HA ILE A 15 6.879 -5.666 2.579 1.00 54.42 H new ATOM 0 HB ILE A 15 5.923 -3.091 3.898 1.00 72.44 H new ATOM 0 HG12 ILE A 15 4.128 -4.722 3.933 1.00 63.03 H new ATOM 0 HG13 ILE A 15 3.778 -3.464 2.764 1.00 63.03 H new ATOM 0 HG21 ILE A 15 5.584 -2.314 1.557 1.00 10.30 H new ATOM 0 HG22 ILE A 15 7.288 -2.712 1.881 1.00 10.30 H new ATOM 0 HG23 ILE A 15 6.268 -3.845 0.963 1.00 10.30 H new ATOM 0 HD11 ILE A 15 3.173 -5.667 1.890 1.00 3.21 H new ATOM 0 HD12 ILE A 15 4.490 -4.955 0.928 1.00 3.21 H new ATOM 0 HD13 ILE A 15 4.845 -6.232 2.115 1.00 3.21 H new ATOM 258 N PRO A 16 9.190 -4.540 2.690 1.00 44.02 N ATOM 259 CA PRO A 16 10.536 -3.956 2.765 1.00 35.02 C ATOM 260 C PRO A 16 10.632 -2.553 2.130 1.00 34.13 C ATOM 261 O PRO A 16 9.622 -1.950 1.762 1.00 1.13 O ATOM 262 CB PRO A 16 11.361 -4.969 1.969 1.00 73.01 C ATOM 263 CG PRO A 16 10.432 -5.452 0.902 1.00 31.22 C ATOM 264 CD PRO A 16 9.029 -5.355 1.470 1.00 15.52 C ATOM 0 HA PRO A 16 10.865 -3.799 3.792 1.00 35.02 H new ATOM 0 HB2 PRO A 16 12.251 -4.508 1.541 1.00 73.01 H new ATOM 0 HB3 PRO A 16 11.700 -5.789 2.601 1.00 73.01 H new ATOM 0 HG2 PRO A 16 10.528 -4.845 0.002 1.00 31.22 H new ATOM 0 HG3 PRO A 16 10.666 -6.479 0.621 1.00 31.22 H new ATOM 0 HD2 PRO A 16 8.345 -4.885 0.764 1.00 15.52 H new ATOM 0 HD3 PRO A 16 8.623 -6.340 1.699 1.00 15.52 H new ATOM 272 N LYS A 17 11.860 -2.044 2.005 1.00 34.41 N ATOM 273 CA LYS A 17 12.112 -0.721 1.421 1.00 24.34 C ATOM 274 C LYS A 17 11.730 -0.687 -0.072 1.00 61.54 C ATOM 275 O LYS A 17 12.168 -1.532 -0.858 1.00 23.51 O ATOM 276 CB LYS A 17 13.604 -0.360 1.630 1.00 52.11 C ATOM 277 CG LYS A 17 14.026 1.040 1.157 1.00 15.04 C ATOM 278 CD LYS A 17 14.203 1.118 -0.362 1.00 72.45 C ATOM 279 CE LYS A 17 14.744 2.471 -0.817 1.00 55.55 C ATOM 280 NZ LYS A 17 16.159 2.678 -0.405 1.00 13.42 N ATOM 0 H LYS A 17 12.704 -2.533 2.303 1.00 34.41 H new ATOM 0 HA LYS A 17 11.488 0.020 1.921 1.00 24.34 H new ATOM 0 HB2 LYS A 17 13.835 -0.449 2.692 1.00 52.11 H new ATOM 0 HB3 LYS A 17 14.213 -1.098 1.108 1.00 52.11 H new ATOM 0 HG2 LYS A 17 13.276 1.767 1.470 1.00 15.04 H new ATOM 0 HG3 LYS A 17 14.961 1.317 1.643 1.00 15.04 H new ATOM 0 HD2 LYS A 17 14.883 0.330 -0.687 1.00 72.45 H new ATOM 0 HD3 LYS A 17 13.245 0.932 -0.847 1.00 72.45 H new ATOM 0 HE2 LYS A 17 14.669 2.544 -1.902 1.00 55.55 H new ATOM 0 HE3 LYS A 17 14.126 3.266 -0.400 1.00 55.55 H new ATOM 0 HZ1 LYS A 17 16.526 3.544 -0.848 1.00 13.42 H new ATOM 0 HZ2 LYS A 17 16.209 2.770 0.630 1.00 13.42 H new ATOM 0 HZ3 LYS A 17 16.731 1.864 -0.708 1.00 13.42 H new ATOM 294 N GLY A 18 10.907 0.291 -0.454 1.00 1.55 N ATOM 295 CA GLY A 18 10.585 0.509 -1.866 1.00 75.34 C ATOM 296 C GLY A 18 9.536 -0.450 -2.439 1.00 54.34 C ATOM 297 O GLY A 18 8.601 -0.019 -3.117 1.00 23.40 O ATOM 0 H GLY A 18 10.454 0.941 0.189 1.00 1.55 H new ATOM 0 HA2 GLY A 18 10.229 1.532 -1.990 1.00 75.34 H new ATOM 0 HA3 GLY A 18 11.500 0.417 -2.452 1.00 75.34 H new ATOM 301 N LYS A 19 9.697 -1.748 -2.182 1.00 14.03 N ATOM 302 CA LYS A 19 8.796 -2.771 -2.733 1.00 5.42 C ATOM 303 C LYS A 19 7.367 -2.640 -2.179 1.00 62.11 C ATOM 304 O LYS A 19 7.069 -3.104 -1.080 1.00 1.13 O ATOM 305 CB LYS A 19 9.344 -4.177 -2.444 1.00 65.40 C ATOM 306 CG LYS A 19 10.659 -4.495 -3.151 1.00 1.34 C ATOM 307 CD LYS A 19 10.511 -4.453 -4.670 1.00 30.12 C ATOM 308 CE LYS A 19 11.781 -4.909 -5.382 1.00 64.10 C ATOM 309 NZ LYS A 19 12.957 -4.074 -5.027 1.00 14.12 N ATOM 0 H LYS A 19 10.443 -2.121 -1.595 1.00 14.03 H new ATOM 0 HA LYS A 19 8.749 -2.614 -3.811 1.00 5.42 H new ATOM 0 HB2 LYS A 19 9.488 -4.285 -1.369 1.00 65.40 H new ATOM 0 HB3 LYS A 19 8.598 -4.914 -2.741 1.00 65.40 H new ATOM 0 HG2 LYS A 19 11.421 -3.780 -2.840 1.00 1.34 H new ATOM 0 HG3 LYS A 19 11.006 -5.483 -2.847 1.00 1.34 H new ATOM 0 HD2 LYS A 19 9.679 -5.089 -4.971 1.00 30.12 H new ATOM 0 HD3 LYS A 19 10.265 -3.438 -4.982 1.00 30.12 H new ATOM 0 HE2 LYS A 19 11.985 -5.948 -5.125 1.00 64.10 H new ATOM 0 HE3 LYS A 19 11.624 -4.872 -6.460 1.00 64.10 H new ATOM 0 HZ1 LYS A 19 13.771 -4.356 -5.609 1.00 14.12 H new ATOM 0 HZ2 LYS A 19 12.737 -3.073 -5.201 1.00 14.12 H new ATOM 0 HZ3 LYS A 19 13.187 -4.208 -4.022 1.00 14.12 H new ATOM 323 N VAL A 20 6.488 -2.014 -2.958 1.00 64.13 N ATOM 324 CA VAL A 20 5.090 -1.813 -2.561 1.00 61.22 C ATOM 325 C VAL A 20 4.196 -2.990 -2.996 1.00 2.25 C ATOM 326 O VAL A 20 4.523 -3.740 -3.921 1.00 71.30 O ATOM 327 CB VAL A 20 4.519 -0.494 -3.147 1.00 62.24 C ATOM 328 CG1 VAL A 20 5.289 0.715 -2.610 1.00 24.22 C ATOM 329 CG2 VAL A 20 4.539 -0.518 -4.676 1.00 53.35 C ATOM 0 H VAL A 20 6.719 -1.633 -3.876 1.00 64.13 H new ATOM 0 HA VAL A 20 5.084 -1.753 -1.473 1.00 61.22 H new ATOM 0 HB VAL A 20 3.480 -0.405 -2.828 1.00 62.24 H new ATOM 0 HG11 VAL A 20 4.872 1.629 -3.033 1.00 24.22 H new ATOM 0 HG12 VAL A 20 5.205 0.747 -1.524 1.00 24.22 H new ATOM 0 HG13 VAL A 20 6.339 0.631 -2.890 1.00 24.22 H new ATOM 0 HG21 VAL A 20 4.134 0.418 -5.060 1.00 53.35 H new ATOM 0 HG22 VAL A 20 5.565 -0.639 -5.025 1.00 53.35 H new ATOM 0 HG23 VAL A 20 3.933 -1.350 -5.035 1.00 53.35 H new ATOM 339 N SER A 21 3.059 -3.145 -2.326 1.00 31.02 N ATOM 340 CA SER A 21 2.140 -4.258 -2.607 1.00 2.20 C ATOM 341 C SER A 21 0.717 -3.762 -2.900 1.00 53.42 C ATOM 342 O SER A 21 0.395 -2.591 -2.686 1.00 53.23 O ATOM 343 CB SER A 21 2.115 -5.231 -1.421 1.00 41.41 C ATOM 344 OG SER A 21 1.705 -4.578 -0.228 1.00 10.53 O ATOM 0 H SER A 21 2.746 -2.518 -1.584 1.00 31.02 H new ATOM 0 HA SER A 21 2.506 -4.771 -3.496 1.00 2.20 H new ATOM 0 HB2 SER A 21 1.437 -6.056 -1.639 1.00 41.41 H new ATOM 0 HB3 SER A 21 3.106 -5.662 -1.280 1.00 41.41 H new ATOM 0 HG SER A 21 2.463 -4.087 0.153 1.00 10.53 H new ATOM 350 N THR A 22 -0.128 -4.656 -3.412 1.00 54.34 N ATOM 351 CA THR A 22 -1.529 -4.323 -3.706 1.00 42.53 C ATOM 352 C THR A 22 -2.486 -4.946 -2.681 1.00 71.15 C ATOM 353 O THR A 22 -2.207 -6.005 -2.116 1.00 24.02 O ATOM 354 CB THR A 22 -1.950 -4.783 -5.125 1.00 5.40 C ATOM 355 OG1 THR A 22 -1.862 -6.214 -5.238 1.00 44.45 O ATOM 356 CG2 THR A 22 -1.077 -4.133 -6.193 1.00 1.34 C ATOM 0 H THR A 22 0.129 -5.618 -3.633 1.00 54.34 H new ATOM 0 HA THR A 22 -1.597 -3.237 -3.650 1.00 42.53 H new ATOM 0 HB THR A 22 -2.983 -4.473 -5.281 1.00 5.40 H new ATOM 0 HG1 THR A 22 -0.936 -6.497 -5.091 1.00 44.45 H new ATOM 0 HG21 THR A 22 -1.394 -4.473 -7.179 1.00 1.34 H new ATOM 0 HG22 THR A 22 -1.176 -3.049 -6.134 1.00 1.34 H new ATOM 0 HG23 THR A 22 -0.036 -4.411 -6.031 1.00 1.34 H new ATOM 364 N TYR A 23 -3.626 -4.285 -2.459 1.00 71.23 N ATOM 365 CA TYR A 23 -4.630 -4.749 -1.485 1.00 2.51 C ATOM 366 C TYR A 23 -5.018 -6.225 -1.710 1.00 13.41 C ATOM 367 O TYR A 23 -5.250 -6.970 -0.755 1.00 35.11 O ATOM 368 CB TYR A 23 -5.890 -3.870 -1.554 1.00 3.31 C ATOM 369 CG TYR A 23 -5.611 -2.381 -1.438 1.00 55.25 C ATOM 370 CD1 TYR A 23 -5.044 -1.846 -0.286 1.00 70.34 C ATOM 371 CD2 TYR A 23 -5.906 -1.516 -2.484 1.00 45.20 C ATOM 372 CE1 TYR A 23 -4.781 -0.492 -0.184 1.00 40.45 C ATOM 373 CE2 TYR A 23 -5.642 -0.163 -2.391 1.00 64.44 C ATOM 374 CZ TYR A 23 -5.080 0.344 -1.239 1.00 21.23 C ATOM 375 OH TYR A 23 -4.809 1.691 -1.146 1.00 4.35 O ATOM 0 H TYR A 23 -3.881 -3.423 -2.941 1.00 71.23 H new ATOM 0 HA TYR A 23 -4.178 -4.667 -0.497 1.00 2.51 H new ATOM 0 HB2 TYR A 23 -6.403 -4.061 -2.497 1.00 3.31 H new ATOM 0 HB3 TYR A 23 -6.571 -4.165 -0.756 1.00 3.31 H new ATOM 0 HD1 TYR A 23 -4.805 -2.498 0.541 1.00 70.34 H new ATOM 0 HD2 TYR A 23 -6.350 -1.908 -3.387 1.00 45.20 H new ATOM 0 HE1 TYR A 23 -4.343 -0.091 0.718 1.00 40.45 H new ATOM 0 HE2 TYR A 23 -5.875 0.494 -3.216 1.00 64.44 H new ATOM 0 HH TYR A 23 -4.614 2.048 -2.038 1.00 4.35 H new ATOM 385 N GLY A 24 -5.085 -6.633 -2.978 1.00 21.14 N ATOM 386 CA GLY A 24 -5.414 -8.017 -3.313 1.00 42.12 C ATOM 387 C GLY A 24 -4.396 -9.021 -2.778 1.00 12.24 C ATOM 388 O GLY A 24 -4.763 -10.019 -2.153 1.00 53.22 O ATOM 0 H GLY A 24 -4.917 -6.030 -3.783 1.00 21.14 H new ATOM 0 HA2 GLY A 24 -6.398 -8.258 -2.911 1.00 42.12 H new ATOM 0 HA3 GLY A 24 -5.479 -8.117 -4.396 1.00 42.12 H new ATOM 392 N GLU A 25 -3.113 -8.747 -3.017 1.00 4.43 N ATOM 393 CA GLU A 25 -2.028 -9.611 -2.534 1.00 41.32 C ATOM 394 C GLU A 25 -2.074 -9.744 -1.004 1.00 2.12 C ATOM 395 O GLU A 25 -2.058 -10.852 -0.461 1.00 31.32 O ATOM 396 CB GLU A 25 -0.669 -9.043 -2.968 1.00 12.42 C ATOM 397 CG GLU A 25 -0.507 -8.912 -4.477 1.00 73.30 C ATOM 398 CD GLU A 25 0.809 -8.258 -4.870 1.00 65.33 C ATOM 399 OE1 GLU A 25 0.927 -7.022 -4.736 1.00 42.33 O ATOM 400 OE2 GLU A 25 1.724 -8.976 -5.326 1.00 70.00 O ATOM 0 H GLU A 25 -2.796 -7.932 -3.543 1.00 4.43 H new ATOM 0 HA GLU A 25 -2.160 -10.601 -2.970 1.00 41.32 H new ATOM 0 HB2 GLU A 25 -0.534 -8.062 -2.512 1.00 12.42 H new ATOM 0 HB3 GLU A 25 0.122 -9.686 -2.582 1.00 12.42 H new ATOM 0 HG2 GLU A 25 -0.567 -9.901 -4.932 1.00 73.30 H new ATOM 0 HG3 GLU A 25 -1.334 -8.326 -4.878 1.00 73.30 H new ATOM 407 N ILE A 26 -2.149 -8.601 -0.323 1.00 11.10 N ATOM 408 CA ILE A 26 -2.227 -8.565 1.141 1.00 31.53 C ATOM 409 C ILE A 26 -3.361 -9.465 1.664 1.00 65.35 C ATOM 410 O ILE A 26 -3.161 -10.275 2.574 1.00 73.25 O ATOM 411 CB ILE A 26 -2.446 -7.113 1.645 1.00 13.31 C ATOM 412 CG1 ILE A 26 -1.295 -6.196 1.188 1.00 0.25 C ATOM 413 CG2 ILE A 26 -2.595 -7.079 3.163 1.00 40.13 C ATOM 414 CD1 ILE A 26 0.070 -6.622 1.688 1.00 52.34 C ATOM 0 H ILE A 26 -2.158 -7.681 -0.763 1.00 11.10 H new ATOM 0 HA ILE A 26 -1.278 -8.940 1.525 1.00 31.53 H new ATOM 0 HB ILE A 26 -3.372 -6.741 1.207 1.00 13.31 H new ATOM 0 HG12 ILE A 26 -1.278 -6.167 0.099 1.00 0.25 H new ATOM 0 HG13 ILE A 26 -1.495 -5.181 1.531 1.00 0.25 H new ATOM 0 HG21 ILE A 26 -2.747 -6.051 3.491 1.00 40.13 H new ATOM 0 HG22 ILE A 26 -3.452 -7.685 3.458 1.00 40.13 H new ATOM 0 HG23 ILE A 26 -1.692 -7.477 3.626 1.00 40.13 H new ATOM 0 HD11 ILE A 26 0.825 -5.926 1.323 1.00 52.34 H new ATOM 0 HD12 ILE A 26 0.074 -6.623 2.778 1.00 52.34 H new ATOM 0 HD13 ILE A 26 0.295 -7.624 1.323 1.00 52.34 H new ATOM 426 N ALA A 27 -4.541 -9.332 1.064 1.00 60.35 N ATOM 427 CA ALA A 27 -5.707 -10.130 1.453 1.00 11.23 C ATOM 428 C ALA A 27 -5.471 -11.641 1.251 1.00 63.14 C ATOM 429 O ALA A 27 -5.918 -12.465 2.054 1.00 72.34 O ATOM 430 CB ALA A 27 -6.928 -9.671 0.666 1.00 75.32 C ATOM 0 H ALA A 27 -4.718 -8.677 0.303 1.00 60.35 H new ATOM 0 HA ALA A 27 -5.879 -9.974 2.518 1.00 11.23 H new ATOM 0 HB1 ALA A 27 -7.793 -10.266 0.957 1.00 75.32 H new ATOM 0 HB2 ALA A 27 -7.123 -8.620 0.877 1.00 75.32 H new ATOM 0 HB3 ALA A 27 -6.742 -9.798 -0.401 1.00 75.32 H new ATOM 436 N LYS A 28 -4.760 -11.998 0.181 1.00 73.32 N ATOM 437 CA LYS A 28 -4.483 -13.407 -0.136 1.00 1.52 C ATOM 438 C LYS A 28 -3.636 -14.091 0.951 1.00 24.33 C ATOM 439 O LYS A 28 -4.067 -15.084 1.543 1.00 34.04 O ATOM 440 CB LYS A 28 -3.791 -13.532 -1.500 1.00 22.14 C ATOM 441 CG LYS A 28 -4.687 -13.156 -2.675 1.00 61.23 C ATOM 442 CD LYS A 28 -3.992 -13.400 -4.012 1.00 71.54 C ATOM 443 CE LYS A 28 -4.932 -13.167 -5.187 1.00 53.32 C ATOM 444 NZ LYS A 28 -4.308 -13.556 -6.479 1.00 60.23 N ATOM 0 H LYS A 28 -4.364 -11.334 -0.484 1.00 73.32 H new ATOM 0 HA LYS A 28 -5.445 -13.918 -0.175 1.00 1.52 H new ATOM 0 HB2 LYS A 28 -2.907 -12.895 -1.509 1.00 22.14 H new ATOM 0 HB3 LYS A 28 -3.446 -14.558 -1.631 1.00 22.14 H new ATOM 0 HG2 LYS A 28 -5.608 -13.737 -2.632 1.00 61.23 H new ATOM 0 HG3 LYS A 28 -4.969 -12.106 -2.597 1.00 61.23 H new ATOM 0 HD2 LYS A 28 -3.130 -12.739 -4.100 1.00 71.54 H new ATOM 0 HD3 LYS A 28 -3.615 -14.422 -4.045 1.00 71.54 H new ATOM 0 HE2 LYS A 28 -5.848 -13.739 -5.039 1.00 53.32 H new ATOM 0 HE3 LYS A 28 -5.216 -12.115 -5.222 1.00 53.32 H new ATOM 0 HZ1 LYS A 28 -4.979 -13.383 -7.255 1.00 60.23 H new ATOM 0 HZ2 LYS A 28 -3.448 -12.992 -6.633 1.00 60.23 H new ATOM 0 HZ3 LYS A 28 -4.060 -14.566 -6.455 1.00 60.23 H new ATOM 458 N MET A 29 -2.437 -13.569 1.216 1.00 51.35 N ATOM 459 CA MET A 29 -1.574 -14.145 2.261 1.00 45.43 C ATOM 460 C MET A 29 -2.213 -14.028 3.655 1.00 61.20 C ATOM 461 O MET A 29 -1.891 -14.796 4.561 1.00 62.12 O ATOM 462 CB MET A 29 -0.179 -13.497 2.266 1.00 14.20 C ATOM 463 CG MET A 29 0.707 -13.938 1.105 1.00 70.22 C ATOM 464 SD MET A 29 0.257 -13.171 -0.465 1.00 71.32 S ATOM 465 CE MET A 29 0.879 -11.508 -0.219 1.00 23.31 C ATOM 0 H MET A 29 -2.042 -12.762 0.733 1.00 51.35 H new ATOM 0 HA MET A 29 -1.461 -15.203 2.023 1.00 45.43 H new ATOM 0 HB2 MET A 29 -0.292 -12.413 2.234 1.00 14.20 H new ATOM 0 HB3 MET A 29 0.320 -13.738 3.204 1.00 14.20 H new ATOM 0 HG2 MET A 29 1.744 -13.696 1.336 1.00 70.22 H new ATOM 0 HG3 MET A 29 0.648 -15.022 1.003 1.00 70.22 H new ATOM 0 HE1 MET A 29 0.955 -11.002 -1.181 1.00 23.31 H new ATOM 0 HE2 MET A 29 0.197 -10.956 0.428 1.00 23.31 H new ATOM 0 HE3 MET A 29 1.864 -11.553 0.246 1.00 23.31 H new ATOM 475 N ALA A 30 -3.115 -13.060 3.822 1.00 5.22 N ATOM 476 CA ALA A 30 -3.869 -12.913 5.071 1.00 23.03 C ATOM 477 C ALA A 30 -4.897 -14.041 5.246 1.00 2.42 C ATOM 478 O ALA A 30 -5.252 -14.408 6.370 1.00 61.44 O ATOM 479 CB ALA A 30 -4.564 -11.557 5.103 1.00 71.33 C ATOM 0 H ALA A 30 -3.342 -12.366 3.110 1.00 5.22 H new ATOM 0 HA ALA A 30 -3.163 -12.977 5.899 1.00 23.03 H new ATOM 0 HB1 ALA A 30 -5.122 -11.456 6.034 1.00 71.33 H new ATOM 0 HB2 ALA A 30 -3.818 -10.764 5.039 1.00 71.33 H new ATOM 0 HB3 ALA A 30 -5.250 -11.479 4.259 1.00 71.33 H new ATOM 485 N GLY A 31 -5.367 -14.594 4.128 1.00 0.21 N ATOM 486 CA GLY A 31 -6.353 -15.670 4.170 1.00 50.25 C ATOM 487 C GLY A 31 -7.773 -15.206 3.851 1.00 11.30 C ATOM 488 O GLY A 31 -8.734 -15.949 4.053 1.00 60.12 O ATOM 0 H GLY A 31 -5.082 -14.316 3.189 1.00 0.21 H new ATOM 0 HA2 GLY A 31 -6.064 -16.445 3.460 1.00 50.25 H new ATOM 0 HA3 GLY A 31 -6.341 -16.125 5.161 1.00 50.25 H new ATOM 492 N TYR A 32 -7.906 -13.979 3.345 1.00 40.04 N ATOM 493 CA TYR A 32 -9.219 -13.408 3.009 1.00 20.11 C ATOM 494 C TYR A 32 -9.231 -12.846 1.571 1.00 0.13 C ATOM 495 O TYR A 32 -9.311 -11.632 1.368 1.00 33.21 O ATOM 496 CB TYR A 32 -9.581 -12.294 4.003 1.00 21.54 C ATOM 497 CG TYR A 32 -9.457 -12.698 5.465 1.00 50.34 C ATOM 498 CD1 TYR A 32 -10.492 -13.359 6.119 1.00 53.42 C ATOM 499 CD2 TYR A 32 -8.301 -12.413 6.189 1.00 64.33 C ATOM 500 CE1 TYR A 32 -10.380 -13.725 7.448 1.00 74.50 C ATOM 501 CE2 TYR A 32 -8.184 -12.775 7.517 1.00 72.44 C ATOM 502 CZ TYR A 32 -9.224 -13.429 8.142 1.00 71.51 C ATOM 503 OH TYR A 32 -9.107 -13.786 9.466 1.00 21.12 O ATOM 0 H TYR A 32 -7.120 -13.357 3.157 1.00 40.04 H new ATOM 0 HA TYR A 32 -9.959 -14.206 3.073 1.00 20.11 H new ATOM 0 HB2 TYR A 32 -8.936 -11.435 3.819 1.00 21.54 H new ATOM 0 HB3 TYR A 32 -10.604 -11.971 3.812 1.00 21.54 H new ATOM 0 HD1 TYR A 32 -11.399 -13.590 5.579 1.00 53.42 H new ATOM 0 HD2 TYR A 32 -7.483 -11.901 5.704 1.00 64.33 H new ATOM 0 HE1 TYR A 32 -11.192 -14.239 7.940 1.00 74.50 H new ATOM 0 HE2 TYR A 32 -7.281 -12.546 8.064 1.00 72.44 H new ATOM 0 HH TYR A 32 -8.231 -13.505 9.804 1.00 21.12 H new ATOM 513 N PRO A 33 -9.178 -13.723 0.549 1.00 51.11 N ATOM 514 CA PRO A 33 -9.051 -13.303 -0.861 1.00 22.12 C ATOM 515 C PRO A 33 -10.361 -12.763 -1.474 1.00 14.45 C ATOM 516 O PRO A 33 -10.593 -12.888 -2.680 1.00 13.01 O ATOM 517 CB PRO A 33 -8.619 -14.601 -1.555 1.00 0.22 C ATOM 518 CG PRO A 33 -9.258 -15.680 -0.749 1.00 53.21 C ATOM 519 CD PRO A 33 -9.246 -15.192 0.678 1.00 51.32 C ATOM 0 HA PRO A 33 -8.356 -12.471 -0.973 1.00 22.12 H new ATOM 0 HB2 PRO A 33 -8.954 -14.628 -2.592 1.00 0.22 H new ATOM 0 HB3 PRO A 33 -7.534 -14.703 -1.567 1.00 0.22 H new ATOM 0 HG2 PRO A 33 -10.276 -15.870 -1.088 1.00 53.21 H new ATOM 0 HG3 PRO A 33 -8.710 -16.617 -0.846 1.00 53.21 H new ATOM 0 HD2 PRO A 33 -10.141 -15.505 1.215 1.00 51.32 H new ATOM 0 HD3 PRO A 33 -8.391 -15.585 1.228 1.00 51.32 H new ATOM 527 N GLY A 34 -11.202 -12.147 -0.648 1.00 44.42 N ATOM 528 CA GLY A 34 -12.442 -11.551 -1.138 1.00 63.15 C ATOM 529 C GLY A 34 -12.739 -10.192 -0.511 1.00 52.30 C ATOM 530 O GLY A 34 -13.780 -9.589 -0.778 1.00 21.32 O ATOM 0 H GLY A 34 -11.050 -12.048 0.356 1.00 44.42 H new ATOM 0 HA2 GLY A 34 -12.382 -11.440 -2.221 1.00 63.15 H new ATOM 0 HA3 GLY A 34 -13.270 -12.229 -0.932 1.00 63.15 H new ATOM 534 N TYR A 35 -11.817 -9.694 0.316 1.00 40.23 N ATOM 535 CA TYR A 35 -12.023 -8.429 1.033 1.00 25.15 C ATOM 536 C TYR A 35 -10.925 -7.400 0.716 1.00 54.12 C ATOM 537 O TYR A 35 -10.642 -6.510 1.523 1.00 41.13 O ATOM 538 CB TYR A 35 -12.083 -8.691 2.543 1.00 1.24 C ATOM 539 CG TYR A 35 -13.220 -9.609 2.960 1.00 50.24 C ATOM 540 CD1 TYR A 35 -14.547 -9.219 2.805 1.00 24.01 C ATOM 541 CD2 TYR A 35 -12.968 -10.869 3.496 1.00 54.33 C ATOM 542 CE1 TYR A 35 -15.585 -10.052 3.173 1.00 34.31 C ATOM 543 CE2 TYR A 35 -14.002 -11.709 3.865 1.00 41.23 C ATOM 544 CZ TYR A 35 -15.309 -11.295 3.702 1.00 21.40 C ATOM 545 OH TYR A 35 -16.342 -12.133 4.061 1.00 12.15 O ATOM 0 H TYR A 35 -10.922 -10.144 0.507 1.00 40.23 H new ATOM 0 HA TYR A 35 -12.970 -8.007 0.696 1.00 25.15 H new ATOM 0 HB2 TYR A 35 -11.138 -9.129 2.864 1.00 1.24 H new ATOM 0 HB3 TYR A 35 -12.187 -7.739 3.064 1.00 1.24 H new ATOM 0 HD1 TYR A 35 -14.769 -8.247 2.389 1.00 24.01 H new ATOM 0 HD2 TYR A 35 -11.947 -11.196 3.626 1.00 54.33 H new ATOM 0 HE1 TYR A 35 -16.609 -9.731 3.047 1.00 34.31 H new ATOM 0 HE2 TYR A 35 -13.789 -12.684 4.278 1.00 41.23 H new ATOM 0 HH TYR A 35 -15.976 -12.970 4.416 1.00 12.15 H new ATOM 555 N ALA A 36 -10.341 -7.497 -0.478 1.00 65.04 N ATOM 556 CA ALA A 36 -9.274 -6.577 -0.903 1.00 13.32 C ATOM 557 C ALA A 36 -9.734 -5.109 -0.862 1.00 50.13 C ATOM 558 O ALA A 36 -8.968 -4.210 -0.504 1.00 1.10 O ATOM 559 CB ALA A 36 -8.797 -6.942 -2.304 1.00 15.55 C ATOM 0 H ALA A 36 -10.586 -8.203 -1.172 1.00 65.04 H new ATOM 0 HA ALA A 36 -8.447 -6.681 -0.201 1.00 13.32 H new ATOM 0 HB1 ALA A 36 -8.007 -6.256 -2.610 1.00 15.55 H new ATOM 0 HB2 ALA A 36 -8.411 -7.961 -2.303 1.00 15.55 H new ATOM 0 HB3 ALA A 36 -9.631 -6.870 -3.002 1.00 15.55 H new ATOM 565 N ARG A 37 -10.992 -4.877 -1.224 1.00 71.10 N ATOM 566 CA ARG A 37 -11.581 -3.533 -1.192 1.00 32.25 C ATOM 567 C ARG A 37 -11.652 -3.007 0.252 1.00 2.31 C ATOM 568 O ARG A 37 -11.442 -1.821 0.517 1.00 53.21 O ATOM 569 CB ARG A 37 -12.988 -3.580 -1.807 1.00 23.23 C ATOM 570 CG ARG A 37 -13.584 -2.217 -2.151 1.00 23.41 C ATOM 571 CD ARG A 37 -12.778 -1.501 -3.235 1.00 71.54 C ATOM 572 NE ARG A 37 -13.588 -0.532 -3.971 1.00 14.52 N ATOM 573 CZ ARG A 37 -13.158 0.142 -5.006 1.00 14.15 C ATOM 574 NH1 ARG A 37 -11.918 0.083 -5.364 1.00 2.21 N ATOM 575 NH2 ARG A 37 -13.966 0.897 -5.666 1.00 71.32 N ATOM 0 H ARG A 37 -11.631 -5.604 -1.546 1.00 71.10 H new ATOM 0 HA ARG A 37 -10.953 -2.856 -1.771 1.00 32.25 H new ATOM 0 HB2 ARG A 37 -12.953 -4.184 -2.713 1.00 23.23 H new ATOM 0 HB3 ARG A 37 -13.656 -4.088 -1.111 1.00 23.23 H new ATOM 0 HG2 ARG A 37 -14.613 -2.345 -2.488 1.00 23.41 H new ATOM 0 HG3 ARG A 37 -13.617 -1.598 -1.254 1.00 23.41 H new ATOM 0 HD2 ARG A 37 -11.929 -0.991 -2.778 1.00 71.54 H new ATOM 0 HD3 ARG A 37 -12.372 -2.236 -3.930 1.00 71.54 H new ATOM 0 HE ARG A 37 -14.546 -0.372 -3.659 1.00 14.52 H new ATOM 0 HH11 ARG A 37 -11.262 -0.494 -4.838 1.00 2.21 H new ATOM 0 HH12 ARG A 37 -11.595 0.613 -6.173 1.00 2.21 H new ATOM 0 HH21 ARG A 37 -14.943 0.970 -5.382 1.00 71.32 H new ATOM 0 HH22 ARG A 37 -13.629 1.422 -6.473 1.00 71.32 H new ATOM 589 N HIS A 38 -11.929 -3.917 1.180 1.00 32.43 N ATOM 590 CA HIS A 38 -12.051 -3.576 2.600 1.00 0.13 C ATOM 591 C HIS A 38 -10.676 -3.281 3.217 1.00 13.44 C ATOM 592 O HIS A 38 -10.554 -2.433 4.100 1.00 52.25 O ATOM 593 CB HIS A 38 -12.742 -4.718 3.354 1.00 15.41 C ATOM 594 CG HIS A 38 -14.062 -5.114 2.755 1.00 75.04 C ATOM 595 ND1 HIS A 38 -14.316 -5.798 1.612 1.00 71.22 N flip ATOM 596 CD2 HIS A 38 -15.257 -4.797 3.356 1.00 63.13 C flip ATOM 597 CE1 HIS A 38 -15.675 -5.903 1.504 1.00 20.52 C flip ATOM 598 NE2 HIS A 38 -16.200 -5.289 2.569 1.00 35.53 N flip ATOM 0 H HIS A 38 -12.075 -4.906 0.975 1.00 32.43 H new ATOM 0 HA HIS A 38 -12.657 -2.674 2.687 1.00 0.13 H new ATOM 0 HB2 HIS A 38 -12.083 -5.586 3.368 1.00 15.41 H new ATOM 0 HB3 HIS A 38 -12.897 -4.418 4.390 1.00 15.41 H new ATOM 0 HD2 HIS A 38 -15.397 -4.257 4.281 1.00 63.13 H new ATOM 0 HE1 HIS A 38 -16.221 -6.390 0.709 1.00 20.52 H new ATOM 0 HE2 HIS A 38 -17.200 -5.210 2.752 1.00 35.53 H new ATOM 606 N VAL A 39 -9.646 -3.986 2.744 1.00 12.42 N ATOM 607 CA VAL A 39 -8.265 -3.716 3.165 1.00 1.51 C ATOM 608 C VAL A 39 -7.888 -2.251 2.883 1.00 22.25 C ATOM 609 O VAL A 39 -7.304 -1.569 3.729 1.00 40.21 O ATOM 610 CB VAL A 39 -7.258 -4.653 2.446 1.00 31.13 C ATOM 611 CG1 VAL A 39 -5.823 -4.363 2.889 1.00 44.35 C ATOM 612 CG2 VAL A 39 -7.613 -6.120 2.690 1.00 4.03 C ATOM 0 H VAL A 39 -9.739 -4.747 2.071 1.00 12.42 H new ATOM 0 HA VAL A 39 -8.212 -3.905 4.237 1.00 1.51 H new ATOM 0 HB VAL A 39 -7.325 -4.458 1.376 1.00 31.13 H new ATOM 0 HG11 VAL A 39 -5.139 -5.034 2.369 1.00 44.35 H new ATOM 0 HG12 VAL A 39 -5.570 -3.330 2.649 1.00 44.35 H new ATOM 0 HG13 VAL A 39 -5.736 -4.518 3.964 1.00 44.35 H new ATOM 0 HG21 VAL A 39 -6.894 -6.759 2.177 1.00 4.03 H new ATOM 0 HG22 VAL A 39 -7.585 -6.328 3.760 1.00 4.03 H new ATOM 0 HG23 VAL A 39 -8.614 -6.321 2.308 1.00 4.03 H new ATOM 622 N GLY A 40 -8.239 -1.774 1.687 1.00 61.34 N ATOM 623 CA GLY A 40 -8.017 -0.375 1.335 1.00 72.03 C ATOM 624 C GLY A 40 -8.760 0.592 2.257 1.00 64.31 C ATOM 625 O GLY A 40 -8.215 1.618 2.668 1.00 72.23 O ATOM 0 H GLY A 40 -8.674 -2.333 0.953 1.00 61.34 H new ATOM 0 HA2 GLY A 40 -6.949 -0.160 1.375 1.00 72.03 H new ATOM 0 HA3 GLY A 40 -8.338 -0.208 0.307 1.00 72.03 H new ATOM 629 N LYS A 41 -10.011 0.261 2.577 1.00 53.42 N ATOM 630 CA LYS A 41 -10.810 1.062 3.516 1.00 72.44 C ATOM 631 C LYS A 41 -10.121 1.129 4.892 1.00 13.30 C ATOM 632 O LYS A 41 -9.998 2.201 5.489 1.00 14.45 O ATOM 633 CB LYS A 41 -12.228 0.460 3.635 1.00 54.54 C ATOM 634 CG LYS A 41 -13.271 1.358 4.318 1.00 71.44 C ATOM 635 CD LYS A 41 -13.090 1.451 5.836 1.00 63.03 C ATOM 636 CE LYS A 41 -14.154 2.329 6.489 1.00 53.43 C ATOM 637 NZ LYS A 41 -14.191 3.698 5.904 1.00 44.22 N ATOM 0 H LYS A 41 -10.496 -0.554 2.203 1.00 53.42 H new ATOM 0 HA LYS A 41 -10.893 2.081 3.137 1.00 72.44 H new ATOM 0 HB2 LYS A 41 -12.585 0.214 2.635 1.00 54.54 H new ATOM 0 HB3 LYS A 41 -12.161 -0.476 4.189 1.00 54.54 H new ATOM 0 HG2 LYS A 41 -13.214 2.359 3.890 1.00 71.44 H new ATOM 0 HG3 LYS A 41 -14.268 0.975 4.101 1.00 71.44 H new ATOM 0 HD2 LYS A 41 -13.131 0.451 6.267 1.00 63.03 H new ATOM 0 HD3 LYS A 41 -12.102 1.854 6.059 1.00 63.03 H new ATOM 0 HE2 LYS A 41 -15.131 1.860 6.373 1.00 53.43 H new ATOM 0 HE3 LYS A 41 -13.959 2.398 7.559 1.00 53.43 H new ATOM 0 HZ1 LYS A 41 -14.776 4.316 6.503 1.00 44.22 H new ATOM 0 HZ2 LYS A 41 -13.225 4.080 5.852 1.00 44.22 H new ATOM 0 HZ3 LYS A 41 -14.598 3.656 4.948 1.00 44.22 H new ATOM 651 N ALA A 42 -9.671 -0.026 5.385 1.00 31.35 N ATOM 652 CA ALA A 42 -8.998 -0.111 6.686 1.00 52.02 C ATOM 653 C ALA A 42 -7.746 0.776 6.732 1.00 41.12 C ATOM 654 O ALA A 42 -7.582 1.588 7.644 1.00 23.32 O ATOM 655 CB ALA A 42 -8.640 -1.560 6.994 1.00 15.34 C ATOM 0 H ALA A 42 -9.760 -0.920 4.902 1.00 31.35 H new ATOM 0 HA ALA A 42 -9.686 0.255 7.448 1.00 52.02 H new ATOM 0 HB1 ALA A 42 -8.141 -1.614 7.961 1.00 15.34 H new ATOM 0 HB2 ALA A 42 -9.549 -2.162 7.021 1.00 15.34 H new ATOM 0 HB3 ALA A 42 -7.974 -1.943 6.220 1.00 15.34 H new ATOM 661 N LEU A 43 -6.875 0.627 5.734 1.00 55.34 N ATOM 662 CA LEU A 43 -5.651 1.434 5.643 1.00 73.14 C ATOM 663 C LEU A 43 -5.972 2.932 5.532 1.00 3.12 C ATOM 664 O LEU A 43 -5.304 3.768 6.143 1.00 70.10 O ATOM 665 CB LEU A 43 -4.807 0.978 4.446 1.00 73.22 C ATOM 666 CG LEU A 43 -4.294 -0.468 4.529 1.00 23.21 C ATOM 667 CD1 LEU A 43 -3.526 -0.843 3.266 1.00 22.11 C ATOM 668 CD2 LEU A 43 -3.422 -0.657 5.769 1.00 44.02 C ATOM 0 H LEU A 43 -6.991 -0.045 4.975 1.00 55.34 H new ATOM 0 HA LEU A 43 -5.080 1.285 6.560 1.00 73.14 H new ATOM 0 HB2 LEU A 43 -5.402 1.086 3.539 1.00 73.22 H new ATOM 0 HB3 LEU A 43 -3.952 1.646 4.348 1.00 73.22 H new ATOM 0 HG LEU A 43 -5.155 -1.132 4.611 1.00 23.21 H new ATOM 0 HD11 LEU A 43 -3.172 -1.871 3.347 1.00 22.11 H new ATOM 0 HD12 LEU A 43 -4.182 -0.752 2.401 1.00 22.11 H new ATOM 0 HD13 LEU A 43 -2.674 -0.174 3.146 1.00 22.11 H new ATOM 0 HD21 LEU A 43 -3.068 -1.687 5.811 1.00 44.02 H new ATOM 0 HD22 LEU A 43 -2.568 0.019 5.720 1.00 44.02 H new ATOM 0 HD23 LEU A 43 -4.007 -0.438 6.662 1.00 44.02 H new ATOM 680 N GLY A 44 -7.009 3.264 4.765 1.00 61.43 N ATOM 681 CA GLY A 44 -7.436 4.655 4.632 1.00 53.34 C ATOM 682 C GLY A 44 -8.085 5.213 5.900 1.00 32.32 C ATOM 683 O GLY A 44 -8.299 6.421 6.018 1.00 54.04 O ATOM 0 H GLY A 44 -7.564 2.596 4.231 1.00 61.43 H new ATOM 0 HA2 GLY A 44 -6.574 5.269 4.373 1.00 53.34 H new ATOM 0 HA3 GLY A 44 -8.143 4.733 3.806 1.00 53.34 H new ATOM 687 N ASN A 45 -8.417 4.333 6.844 1.00 44.34 N ATOM 688 CA ASN A 45 -9.027 4.748 8.115 1.00 64.23 C ATOM 689 C ASN A 45 -7.964 4.894 9.225 1.00 35.25 C ATOM 690 O ASN A 45 -8.216 5.510 10.263 1.00 44.13 O ATOM 691 CB ASN A 45 -10.105 3.736 8.531 1.00 0.33 C ATOM 692 CG ASN A 45 -10.933 4.216 9.711 1.00 65.04 C ATOM 693 OD1 ASN A 45 -11.939 4.899 9.542 1.00 63.22 O ATOM 694 ND2 ASN A 45 -10.527 3.861 10.910 1.00 22.51 N ATOM 0 H ASN A 45 -8.275 3.327 6.756 1.00 44.34 H new ATOM 0 HA ASN A 45 -9.490 5.724 7.971 1.00 64.23 H new ATOM 0 HB2 ASN A 45 -10.764 3.544 7.684 1.00 0.33 H new ATOM 0 HB3 ASN A 45 -9.630 2.789 8.787 1.00 0.33 H new ATOM 0 HD21 ASN A 45 -11.052 4.154 11.734 1.00 22.51 H new ATOM 0 HD22 ASN A 45 -9.687 3.293 11.016 1.00 22.51 H new ATOM 701 N LEU A 46 -6.781 4.328 8.993 1.00 34.44 N ATOM 702 CA LEU A 46 -5.679 4.393 9.962 1.00 40.10 C ATOM 703 C LEU A 46 -5.204 5.840 10.197 1.00 21.04 C ATOM 704 O LEU A 46 -5.269 6.681 9.296 1.00 2.55 O ATOM 705 CB LEU A 46 -4.496 3.541 9.479 1.00 21.23 C ATOM 706 CG LEU A 46 -4.757 2.028 9.390 1.00 55.14 C ATOM 707 CD1 LEU A 46 -3.554 1.309 8.788 1.00 44.43 C ATOM 708 CD2 LEU A 46 -5.089 1.455 10.768 1.00 20.52 C ATOM 0 H LEU A 46 -6.557 3.816 8.140 1.00 34.44 H new ATOM 0 HA LEU A 46 -6.057 4.002 10.907 1.00 40.10 H new ATOM 0 HB2 LEU A 46 -4.193 3.897 8.494 1.00 21.23 H new ATOM 0 HB3 LEU A 46 -3.654 3.707 10.151 1.00 21.23 H new ATOM 0 HG LEU A 46 -5.615 1.869 8.737 1.00 55.14 H new ATOM 0 HD11 LEU A 46 -3.759 0.240 8.734 1.00 44.43 H new ATOM 0 HD12 LEU A 46 -3.364 1.693 7.786 1.00 44.43 H new ATOM 0 HD13 LEU A 46 -2.678 1.479 9.414 1.00 44.43 H new ATOM 0 HD21 LEU A 46 -5.270 0.384 10.683 1.00 20.52 H new ATOM 0 HD22 LEU A 46 -4.253 1.629 11.445 1.00 20.52 H new ATOM 0 HD23 LEU A 46 -5.981 1.944 11.160 1.00 20.52 H new ATOM 720 N PRO A 47 -4.716 6.150 11.417 1.00 24.11 N ATOM 721 CA PRO A 47 -4.177 7.484 11.738 1.00 11.41 C ATOM 722 C PRO A 47 -2.808 7.754 11.080 1.00 11.43 C ATOM 723 O PRO A 47 -2.387 7.041 10.167 1.00 23.30 O ATOM 724 CB PRO A 47 -4.054 7.449 13.268 1.00 60.31 C ATOM 725 CG PRO A 47 -3.847 6.007 13.591 1.00 55.14 C ATOM 726 CD PRO A 47 -4.660 5.238 12.582 1.00 31.33 C ATOM 0 HA PRO A 47 -4.816 8.284 11.364 1.00 11.41 H new ATOM 0 HB2 PRO A 47 -3.218 8.057 13.613 1.00 60.31 H new ATOM 0 HB3 PRO A 47 -4.952 7.839 13.748 1.00 60.31 H new ATOM 0 HG2 PRO A 47 -2.792 5.740 13.528 1.00 55.14 H new ATOM 0 HG3 PRO A 47 -4.172 5.784 14.607 1.00 55.14 H new ATOM 0 HD2 PRO A 47 -4.189 4.289 12.326 1.00 31.33 H new ATOM 0 HD3 PRO A 47 -5.656 5.008 12.960 1.00 31.33 H new ATOM 734 N GLU A 48 -2.123 8.800 11.543 1.00 23.22 N ATOM 735 CA GLU A 48 -0.820 9.189 10.988 1.00 3.34 C ATOM 736 C GLU A 48 0.242 8.093 11.205 1.00 14.33 C ATOM 737 O GLU A 48 0.692 7.449 10.256 1.00 45.04 O ATOM 738 CB GLU A 48 -0.361 10.506 11.630 1.00 11.52 C ATOM 739 CG GLU A 48 -1.415 11.608 11.574 1.00 41.15 C ATOM 740 CD GLU A 48 -1.021 12.844 12.365 1.00 53.13 C ATOM 741 OE1 GLU A 48 -0.903 12.746 13.605 1.00 64.04 O ATOM 742 OE2 GLU A 48 -0.827 13.915 11.754 1.00 41.41 O ATOM 0 H GLU A 48 -2.448 9.397 12.304 1.00 23.22 H new ATOM 0 HA GLU A 48 -0.936 9.325 9.913 1.00 3.34 H new ATOM 0 HB2 GLU A 48 -0.095 10.321 12.671 1.00 11.52 H new ATOM 0 HB3 GLU A 48 0.542 10.851 11.127 1.00 11.52 H new ATOM 0 HG2 GLU A 48 -1.586 11.887 10.534 1.00 41.15 H new ATOM 0 HG3 GLU A 48 -2.358 11.221 11.960 1.00 41.15 H new ATOM 749 N GLY A 49 0.632 7.887 12.462 1.00 63.14 N ATOM 750 CA GLY A 49 1.616 6.861 12.790 1.00 43.34 C ATOM 751 C GLY A 49 1.066 5.799 13.735 1.00 73.44 C ATOM 752 O GLY A 49 1.047 5.988 14.949 1.00 15.03 O ATOM 0 H GLY A 49 0.284 8.413 13.263 1.00 63.14 H new ATOM 0 HA2 GLY A 49 1.956 6.383 11.871 1.00 43.34 H new ATOM 0 HA3 GLY A 49 2.487 7.331 13.246 1.00 43.34 H new ATOM 756 N SER A 50 0.606 4.682 13.175 1.00 72.31 N ATOM 757 CA SER A 50 0.051 3.576 13.974 1.00 31.51 C ATOM 758 C SER A 50 1.004 2.374 14.000 1.00 63.21 C ATOM 759 O SER A 50 0.564 1.230 14.155 1.00 42.55 O ATOM 760 CB SER A 50 -1.305 3.142 13.392 1.00 45.43 C ATOM 761 OG SER A 50 -1.173 2.705 12.047 1.00 2.54 O ATOM 0 H SER A 50 0.604 4.513 12.169 1.00 72.31 H new ATOM 0 HA SER A 50 -0.081 3.932 14.996 1.00 31.51 H new ATOM 0 HB2 SER A 50 -1.723 2.338 13.998 1.00 45.43 H new ATOM 0 HB3 SER A 50 -2.007 3.975 13.439 1.00 45.43 H new ATOM 0 HG SER A 50 -2.050 2.434 11.704 1.00 2.54 H new ATOM 767 N LYS A 51 2.309 2.647 13.864 1.00 13.14 N ATOM 768 CA LYS A 51 3.352 1.603 13.783 1.00 42.24 C ATOM 769 C LYS A 51 3.340 0.909 12.408 1.00 22.53 C ATOM 770 O LYS A 51 4.382 0.743 11.773 1.00 14.13 O ATOM 771 CB LYS A 51 3.202 0.562 14.914 1.00 43.22 C ATOM 772 CG LYS A 51 4.297 -0.506 14.934 1.00 22.21 C ATOM 773 CD LYS A 51 5.674 0.090 15.221 1.00 14.24 C ATOM 774 CE LYS A 51 5.766 0.668 16.631 1.00 53.34 C ATOM 775 NZ LYS A 51 5.526 -0.362 17.680 1.00 25.43 N ATOM 0 H LYS A 51 2.676 3.597 13.807 1.00 13.14 H new ATOM 0 HA LYS A 51 4.314 2.099 13.908 1.00 42.24 H new ATOM 0 HB2 LYS A 51 3.199 1.081 15.872 1.00 43.22 H new ATOM 0 HB3 LYS A 51 2.234 0.071 14.815 1.00 43.22 H new ATOM 0 HG2 LYS A 51 4.061 -1.253 15.692 1.00 22.21 H new ATOM 0 HG3 LYS A 51 4.318 -1.021 13.974 1.00 22.21 H new ATOM 0 HD2 LYS A 51 6.435 -0.680 15.095 1.00 14.24 H new ATOM 0 HD3 LYS A 51 5.889 0.873 14.494 1.00 14.24 H new ATOM 0 HE2 LYS A 51 6.752 1.109 16.777 1.00 53.34 H new ATOM 0 HE3 LYS A 51 5.038 1.472 16.740 1.00 53.34 H new ATOM 0 HZ1 LYS A 51 5.811 0.014 18.607 1.00 25.43 H new ATOM 0 HZ2 LYS A 51 4.515 -0.607 17.701 1.00 25.43 H new ATOM 0 HZ3 LYS A 51 6.084 -1.213 17.465 1.00 25.43 H new ATOM 789 N LEU A 52 2.154 0.510 11.957 1.00 4.25 N ATOM 790 CA LEU A 52 1.972 -0.116 10.644 1.00 45.32 C ATOM 791 C LEU A 52 2.238 0.878 9.494 1.00 52.43 C ATOM 792 O LEU A 52 1.668 1.972 9.467 1.00 72.24 O ATOM 793 CB LEU A 52 0.534 -0.644 10.527 1.00 41.21 C ATOM 794 CG LEU A 52 0.193 -1.336 9.197 1.00 41.43 C ATOM 795 CD1 LEU A 52 0.895 -2.685 9.090 1.00 62.12 C ATOM 796 CD2 LEU A 52 -1.314 -1.495 9.050 1.00 5.41 C ATOM 0 H LEU A 52 1.290 0.610 12.489 1.00 4.25 H new ATOM 0 HA LEU A 52 2.690 -0.932 10.561 1.00 45.32 H new ATOM 0 HB2 LEU A 52 0.356 -1.348 11.340 1.00 41.21 H new ATOM 0 HB3 LEU A 52 -0.154 0.189 10.671 1.00 41.21 H new ATOM 0 HG LEU A 52 0.552 -0.707 8.382 1.00 41.43 H new ATOM 0 HD11 LEU A 52 0.638 -3.155 8.141 1.00 62.12 H new ATOM 0 HD12 LEU A 52 1.974 -2.539 9.142 1.00 62.12 H new ATOM 0 HD13 LEU A 52 0.576 -3.327 9.911 1.00 62.12 H new ATOM 0 HD21 LEU A 52 -1.537 -1.987 8.103 1.00 5.41 H new ATOM 0 HD22 LEU A 52 -1.698 -2.099 9.872 1.00 5.41 H new ATOM 0 HD23 LEU A 52 -1.787 -0.513 9.070 1.00 5.41 H new ATOM 808 N PRO A 53 3.111 0.527 8.526 1.00 31.41 N ATOM 809 CA PRO A 53 3.310 1.355 7.331 1.00 24.03 C ATOM 810 C PRO A 53 2.169 1.189 6.312 1.00 71.20 C ATOM 811 O PRO A 53 2.177 0.276 5.486 1.00 50.22 O ATOM 812 CB PRO A 53 4.640 0.836 6.768 1.00 2.51 C ATOM 813 CG PRO A 53 4.707 -0.591 7.206 1.00 53.31 C ATOM 814 CD PRO A 53 3.982 -0.666 8.530 1.00 74.33 C ATOM 0 HA PRO A 53 3.321 2.421 7.558 1.00 24.03 H new ATOM 0 HB2 PRO A 53 4.669 0.918 5.682 1.00 2.51 H new ATOM 0 HB3 PRO A 53 5.484 1.409 7.154 1.00 2.51 H new ATOM 0 HG2 PRO A 53 4.240 -1.245 6.470 1.00 53.31 H new ATOM 0 HG3 PRO A 53 5.742 -0.917 7.311 1.00 53.31 H new ATOM 0 HD2 PRO A 53 3.401 -1.584 8.616 1.00 74.33 H new ATOM 0 HD3 PRO A 53 4.678 -0.649 9.368 1.00 74.33 H new ATOM 822 N TRP A 54 1.194 2.093 6.373 1.00 23.21 N ATOM 823 CA TRP A 54 0.020 2.049 5.484 1.00 64.35 C ATOM 824 C TRP A 54 0.351 2.555 4.070 1.00 43.50 C ATOM 825 O TRP A 54 -0.219 2.098 3.082 1.00 70.14 O ATOM 826 CB TRP A 54 -1.129 2.875 6.094 1.00 63.24 C ATOM 827 CG TRP A 54 -0.708 4.245 6.566 1.00 42.44 C ATOM 828 CD1 TRP A 54 -0.260 4.581 7.816 1.00 30.45 C ATOM 829 CD2 TRP A 54 -0.697 5.461 5.802 1.00 71.44 C ATOM 830 NE1 TRP A 54 0.030 5.921 7.870 1.00 75.43 N ATOM 831 CE2 TRP A 54 -0.228 6.483 6.649 1.00 34.54 C ATOM 832 CE3 TRP A 54 -1.035 5.784 4.484 1.00 43.35 C ATOM 833 CZ2 TRP A 54 -0.090 7.802 6.221 1.00 31.24 C ATOM 834 CZ3 TRP A 54 -0.897 7.093 4.063 1.00 14.42 C ATOM 835 CH2 TRP A 54 -0.425 8.087 4.928 1.00 20.31 C ATOM 0 H TRP A 54 1.188 2.872 7.031 1.00 23.21 H new ATOM 0 HA TRP A 54 -0.290 1.008 5.391 1.00 64.35 H new ATOM 0 HB2 TRP A 54 -1.920 2.983 5.352 1.00 63.24 H new ATOM 0 HB3 TRP A 54 -1.553 2.325 6.934 1.00 63.24 H new ATOM 0 HD1 TRP A 54 -0.151 3.891 8.640 1.00 30.45 H new ATOM 0 HE1 TRP A 54 0.381 6.418 8.688 1.00 75.43 H new ATOM 0 HE3 TRP A 54 -1.397 5.024 3.807 1.00 43.35 H new ATOM 0 HZ2 TRP A 54 0.269 8.572 6.888 1.00 31.24 H new ATOM 0 HZ3 TRP A 54 -1.158 7.354 3.048 1.00 14.42 H new ATOM 0 HH2 TRP A 54 -0.324 9.099 4.566 1.00 20.31 H new ATOM 846 N PHE A 55 1.294 3.487 3.988 1.00 12.22 N ATOM 847 CA PHE A 55 1.666 4.121 2.714 1.00 32.13 C ATOM 848 C PHE A 55 2.275 3.135 1.696 1.00 13.42 C ATOM 849 O PHE A 55 2.335 3.427 0.503 1.00 23.50 O ATOM 850 CB PHE A 55 2.636 5.287 2.978 1.00 63.21 C ATOM 851 CG PHE A 55 3.801 4.939 3.874 1.00 55.32 C ATOM 852 CD1 PHE A 55 3.702 5.086 5.251 1.00 54.41 C ATOM 853 CD2 PHE A 55 4.994 4.471 3.341 1.00 41.24 C ATOM 854 CE1 PHE A 55 4.765 4.770 6.076 1.00 53.14 C ATOM 855 CE2 PHE A 55 6.059 4.154 4.161 1.00 55.13 C ATOM 856 CZ PHE A 55 5.945 4.303 5.529 1.00 73.33 C ATOM 0 H PHE A 55 1.822 3.827 4.792 1.00 12.22 H new ATOM 0 HA PHE A 55 0.746 4.494 2.264 1.00 32.13 H new ATOM 0 HB2 PHE A 55 3.022 5.646 2.024 1.00 63.21 H new ATOM 0 HB3 PHE A 55 2.081 6.111 3.427 1.00 63.21 H new ATOM 0 HD1 PHE A 55 2.782 5.452 5.683 1.00 54.41 H new ATOM 0 HD2 PHE A 55 5.091 4.353 2.272 1.00 41.24 H new ATOM 0 HE1 PHE A 55 4.674 4.888 7.146 1.00 53.14 H new ATOM 0 HE2 PHE A 55 6.981 3.790 3.732 1.00 55.13 H new ATOM 0 HZ PHE A 55 6.777 4.055 6.171 1.00 73.33 H new ATOM 866 N ARG A 56 2.705 1.964 2.163 1.00 62.34 N ATOM 867 CA ARG A 56 3.384 0.984 1.299 1.00 21.21 C ATOM 868 C ARG A 56 2.408 0.065 0.538 1.00 3.45 C ATOM 869 O ARG A 56 2.832 -0.911 -0.088 1.00 52.43 O ATOM 870 CB ARG A 56 4.354 0.135 2.134 1.00 72.50 C ATOM 871 CG ARG A 56 5.639 0.864 2.519 1.00 32.23 C ATOM 872 CD ARG A 56 6.576 -0.021 3.337 1.00 62.20 C ATOM 873 NE ARG A 56 7.933 0.514 3.384 1.00 31.25 N ATOM 874 CZ ARG A 56 8.912 0.014 4.094 1.00 45.24 C ATOM 875 NH1 ARG A 56 8.725 -1.013 4.860 1.00 21.50 N ATOM 876 NH2 ARG A 56 10.088 0.544 4.024 1.00 5.43 N ATOM 0 H ARG A 56 2.598 1.666 3.133 1.00 62.34 H new ATOM 0 HA ARG A 56 3.930 1.554 0.548 1.00 21.21 H new ATOM 0 HB2 ARG A 56 3.847 -0.191 3.042 1.00 72.50 H new ATOM 0 HB3 ARG A 56 4.611 -0.763 1.572 1.00 72.50 H new ATOM 0 HG2 ARG A 56 6.151 1.197 1.616 1.00 32.23 H new ATOM 0 HG3 ARG A 56 5.391 1.757 3.093 1.00 32.23 H new ATOM 0 HD2 ARG A 56 6.189 -0.118 4.352 1.00 62.20 H new ATOM 0 HD3 ARG A 56 6.596 -1.022 2.907 1.00 62.20 H new ATOM 0 HE ARG A 56 8.134 1.340 2.821 1.00 31.25 H new ATOM 0 HH11 ARG A 56 7.803 -1.446 4.917 1.00 21.50 H new ATOM 0 HH12 ARG A 56 9.500 -1.389 5.406 1.00 21.50 H new ATOM 0 HH21 ARG A 56 10.250 1.348 3.418 1.00 5.43 H new ATOM 0 HH22 ARG A 56 10.855 0.158 4.575 1.00 5.43 H new ATOM 890 N VAL A 57 1.112 0.371 0.578 1.00 12.31 N ATOM 891 CA VAL A 57 0.109 -0.459 -0.108 1.00 34.51 C ATOM 892 C VAL A 57 -0.799 0.381 -1.032 1.00 4.14 C ATOM 893 O VAL A 57 -1.345 1.410 -0.628 1.00 54.52 O ATOM 894 CB VAL A 57 -0.769 -1.241 0.905 1.00 24.01 C ATOM 895 CG1 VAL A 57 -1.668 -2.245 0.182 1.00 34.42 C ATOM 896 CG2 VAL A 57 0.097 -1.946 1.950 1.00 71.21 C ATOM 0 H VAL A 57 0.729 1.178 1.071 1.00 12.31 H new ATOM 0 HA VAL A 57 0.664 -1.170 -0.720 1.00 34.51 H new ATOM 0 HB VAL A 57 -1.406 -0.523 1.422 1.00 24.01 H new ATOM 0 HG11 VAL A 57 -2.274 -2.782 0.912 1.00 34.42 H new ATOM 0 HG12 VAL A 57 -2.320 -1.715 -0.512 1.00 34.42 H new ATOM 0 HG13 VAL A 57 -1.051 -2.955 -0.369 1.00 34.42 H new ATOM 0 HG21 VAL A 57 -0.543 -2.487 2.648 1.00 71.21 H new ATOM 0 HG22 VAL A 57 0.767 -2.648 1.454 1.00 71.21 H new ATOM 0 HG23 VAL A 57 0.684 -1.207 2.494 1.00 71.21 H new ATOM 906 N ILE A 58 -0.957 -0.074 -2.278 1.00 33.22 N ATOM 907 CA ILE A 58 -1.772 0.631 -3.284 1.00 62.12 C ATOM 908 C ILE A 58 -2.701 -0.338 -4.049 1.00 1.41 C ATOM 909 O ILE A 58 -2.794 -1.521 -3.714 1.00 25.45 O ATOM 910 CB ILE A 58 -0.867 1.395 -4.291 1.00 34.12 C ATOM 911 CG1 ILE A 58 0.184 0.446 -4.896 1.00 12.52 C ATOM 912 CG2 ILE A 58 -0.200 2.596 -3.615 1.00 14.21 C ATOM 913 CD1 ILE A 58 1.152 1.127 -5.842 1.00 33.43 C ATOM 0 H ILE A 58 -0.529 -0.934 -2.621 1.00 33.22 H new ATOM 0 HA ILE A 58 -2.394 1.347 -2.747 1.00 62.12 H new ATOM 0 HB ILE A 58 -1.491 1.771 -5.102 1.00 34.12 H new ATOM 0 HG12 ILE A 58 0.748 -0.019 -4.087 1.00 12.52 H new ATOM 0 HG13 ILE A 58 -0.328 -0.355 -5.430 1.00 12.52 H new ATOM 0 HG21 ILE A 58 0.429 3.117 -4.337 1.00 14.21 H new ATOM 0 HG22 ILE A 58 -0.966 3.276 -3.244 1.00 14.21 H new ATOM 0 HG23 ILE A 58 0.413 2.251 -2.782 1.00 14.21 H new ATOM 0 HD11 ILE A 58 1.861 0.394 -6.227 1.00 33.43 H new ATOM 0 HD12 ILE A 58 0.600 1.568 -6.672 1.00 33.43 H new ATOM 0 HD13 ILE A 58 1.692 1.909 -5.309 1.00 33.43 H new ATOM 925 N ASN A 59 -3.410 0.167 -5.063 1.00 0.30 N ATOM 926 CA ASN A 59 -4.348 -0.670 -5.830 1.00 44.12 C ATOM 927 C ASN A 59 -3.701 -1.246 -7.106 1.00 53.33 C ATOM 928 O ASN A 59 -2.537 -0.983 -7.400 1.00 35.52 O ATOM 929 CB ASN A 59 -5.618 0.117 -6.189 1.00 54.03 C ATOM 930 CG ASN A 59 -5.352 1.278 -7.129 1.00 50.31 C ATOM 931 OD1 ASN A 59 -5.305 1.108 -8.341 1.00 13.22 O ATOM 932 ND2 ASN A 59 -5.189 2.463 -6.587 1.00 53.22 N ATOM 0 H ASN A 59 -3.357 1.138 -5.372 1.00 0.30 H new ATOM 0 HA ASN A 59 -4.621 -1.509 -5.189 1.00 44.12 H new ATOM 0 HB2 ASN A 59 -6.339 -0.558 -6.650 1.00 54.03 H new ATOM 0 HB3 ASN A 59 -6.075 0.495 -5.274 1.00 54.03 H new ATOM 0 HD21 ASN A 59 -5.017 3.275 -7.179 1.00 53.22 H new ATOM 0 HD22 ASN A 59 -5.234 2.571 -5.574 1.00 53.22 H new ATOM 939 N SER A 60 -4.485 -2.015 -7.866 1.00 51.54 N ATOM 940 CA SER A 60 -3.986 -2.715 -9.071 1.00 12.24 C ATOM 941 C SER A 60 -3.382 -1.754 -10.109 1.00 44.14 C ATOM 942 O SER A 60 -2.405 -2.085 -10.778 1.00 63.44 O ATOM 943 CB SER A 60 -5.117 -3.525 -9.728 1.00 11.21 C ATOM 944 OG SER A 60 -4.683 -4.140 -10.934 1.00 60.23 O ATOM 0 H SER A 60 -5.474 -2.174 -7.674 1.00 51.54 H new ATOM 0 HA SER A 60 -3.192 -3.382 -8.735 1.00 12.24 H new ATOM 0 HB2 SER A 60 -5.469 -4.289 -9.035 1.00 11.21 H new ATOM 0 HB3 SER A 60 -5.962 -2.869 -9.936 1.00 11.21 H new ATOM 0 HG SER A 60 -5.423 -4.648 -11.327 1.00 60.23 H new ATOM 950 N GLN A 61 -3.957 -0.560 -10.232 1.00 25.21 N ATOM 951 CA GLN A 61 -3.489 0.428 -11.217 1.00 44.44 C ATOM 952 C GLN A 61 -2.177 1.100 -10.781 1.00 12.42 C ATOM 953 O GLN A 61 -1.680 1.997 -11.463 1.00 44.03 O ATOM 954 CB GLN A 61 -4.565 1.502 -11.443 1.00 3.14 C ATOM 955 CG GLN A 61 -5.890 0.954 -11.963 1.00 24.21 C ATOM 956 CD GLN A 61 -6.952 2.030 -12.114 1.00 72.42 C ATOM 957 OE1 GLN A 61 -6.651 3.192 -12.381 1.00 43.42 O ATOM 958 NE2 GLN A 61 -8.202 1.655 -11.938 1.00 71.14 N ATOM 0 H GLN A 61 -4.746 -0.248 -9.666 1.00 25.21 H new ATOM 0 HA GLN A 61 -3.299 -0.108 -12.147 1.00 44.44 H new ATOM 0 HB2 GLN A 61 -4.744 2.026 -10.504 1.00 3.14 H new ATOM 0 HB3 GLN A 61 -4.185 2.238 -12.151 1.00 3.14 H new ATOM 0 HG2 GLN A 61 -5.726 0.474 -12.928 1.00 24.21 H new ATOM 0 HG3 GLN A 61 -6.253 0.185 -11.281 1.00 24.21 H new ATOM 0 HE21 GLN A 61 -8.416 0.682 -11.717 1.00 71.14 H new ATOM 0 HE22 GLN A 61 -8.956 2.337 -12.022 1.00 71.14 H new ATOM 967 N GLY A 62 -1.616 0.663 -9.654 1.00 61.40 N ATOM 968 CA GLY A 62 -0.422 1.301 -9.118 1.00 24.32 C ATOM 969 C GLY A 62 -0.664 2.760 -8.758 1.00 70.21 C ATOM 970 O GLY A 62 0.079 3.646 -9.169 1.00 62.14 O ATOM 0 H GLY A 62 -1.966 -0.121 -9.103 1.00 61.40 H new ATOM 0 HA2 GLY A 62 -0.089 0.760 -8.232 1.00 24.32 H new ATOM 0 HA3 GLY A 62 0.382 1.238 -9.851 1.00 24.32 H new ATOM 974 N LYS A 63 -1.720 3.011 -7.989 1.00 4.24 N ATOM 975 CA LYS A 63 -2.120 4.379 -7.655 1.00 34.12 C ATOM 976 C LYS A 63 -2.545 4.513 -6.184 1.00 23.13 C ATOM 977 O LYS A 63 -3.043 3.562 -5.574 1.00 61.42 O ATOM 978 CB LYS A 63 -3.269 4.811 -8.581 1.00 54.45 C ATOM 979 CG LYS A 63 -3.720 6.257 -8.392 1.00 74.20 C ATOM 980 CD LYS A 63 -4.905 6.607 -9.292 1.00 54.25 C ATOM 981 CE LYS A 63 -4.578 6.408 -10.768 1.00 53.52 C ATOM 982 NZ LYS A 63 -5.726 6.757 -11.647 1.00 71.21 N ATOM 0 H LYS A 63 -2.315 2.288 -7.585 1.00 4.24 H new ATOM 0 HA LYS A 63 -1.258 5.030 -7.801 1.00 34.12 H new ATOM 0 HB2 LYS A 63 -2.957 4.673 -9.616 1.00 54.45 H new ATOM 0 HB3 LYS A 63 -4.121 4.152 -8.414 1.00 54.45 H new ATOM 0 HG2 LYS A 63 -3.996 6.418 -7.350 1.00 74.20 H new ATOM 0 HG3 LYS A 63 -2.889 6.928 -8.609 1.00 74.20 H new ATOM 0 HD2 LYS A 63 -5.760 5.987 -9.023 1.00 54.25 H new ATOM 0 HD3 LYS A 63 -5.196 7.643 -9.121 1.00 54.25 H new ATOM 0 HE2 LYS A 63 -3.718 7.022 -11.034 1.00 53.52 H new ATOM 0 HE3 LYS A 63 -4.293 5.370 -10.939 1.00 53.52 H new ATOM 0 HZ1 LYS A 63 -5.460 6.607 -12.641 1.00 71.21 H new ATOM 0 HZ2 LYS A 63 -6.540 6.154 -11.411 1.00 71.21 H new ATOM 0 HZ3 LYS A 63 -5.982 7.755 -11.504 1.00 71.21 H new ATOM 996 N ILE A 64 -2.338 5.701 -5.624 1.00 40.24 N ATOM 997 CA ILE A 64 -2.764 6.010 -4.256 1.00 15.32 C ATOM 998 C ILE A 64 -4.298 6.107 -4.160 1.00 31.54 C ATOM 999 O ILE A 64 -4.926 6.947 -4.810 1.00 31.02 O ATOM 1000 CB ILE A 64 -2.114 7.333 -3.766 1.00 71.04 C ATOM 1001 CG1 ILE A 64 -0.581 7.187 -3.736 1.00 40.52 C ATOM 1002 CG2 ILE A 64 -2.652 7.736 -2.393 1.00 70.34 C ATOM 1003 CD1 ILE A 64 0.155 8.439 -3.304 1.00 52.41 C ATOM 0 H ILE A 64 -1.873 6.475 -6.099 1.00 40.24 H new ATOM 0 HA ILE A 64 -2.432 5.195 -3.613 1.00 15.32 H new ATOM 0 HB ILE A 64 -2.375 8.127 -4.466 1.00 71.04 H new ATOM 0 HG12 ILE A 64 -0.318 6.373 -3.060 1.00 40.52 H new ATOM 0 HG13 ILE A 64 -0.235 6.901 -4.729 1.00 40.52 H new ATOM 0 HG21 ILE A 64 -2.179 8.665 -2.075 1.00 70.34 H new ATOM 0 HG22 ILE A 64 -3.731 7.880 -2.453 1.00 70.34 H new ATOM 0 HG23 ILE A 64 -2.430 6.951 -1.670 1.00 70.34 H new ATOM 0 HD11 ILE A 64 1.229 8.250 -3.310 1.00 52.41 H new ATOM 0 HD12 ILE A 64 -0.075 9.252 -3.993 1.00 52.41 H new ATOM 0 HD13 ILE A 64 -0.159 8.717 -2.298 1.00 52.41 H new ATOM 1015 N SER A 65 -4.896 5.251 -3.329 1.00 40.33 N ATOM 1016 CA SER A 65 -6.364 5.151 -3.219 1.00 51.21 C ATOM 1017 C SER A 65 -6.937 6.135 -2.182 1.00 23.04 C ATOM 1018 O SER A 65 -7.974 5.873 -1.568 1.00 51.21 O ATOM 1019 CB SER A 65 -6.760 3.712 -2.846 1.00 55.41 C ATOM 1020 OG SER A 65 -8.174 3.544 -2.831 1.00 62.22 O ATOM 0 H SER A 65 -4.389 4.612 -2.717 1.00 40.33 H new ATOM 0 HA SER A 65 -6.785 5.415 -4.189 1.00 51.21 H new ATOM 0 HB2 SER A 65 -6.318 3.016 -3.559 1.00 55.41 H new ATOM 0 HB3 SER A 65 -6.353 3.465 -1.865 1.00 55.41 H new ATOM 0 HG SER A 65 -8.588 4.300 -2.365 1.00 62.22 H new ATOM 1026 N LEU A 66 -6.274 7.277 -2.004 1.00 63.43 N ATOM 1027 CA LEU A 66 -6.720 8.299 -1.044 1.00 63.23 C ATOM 1028 C LEU A 66 -7.182 9.581 -1.762 1.00 13.31 C ATOM 1029 O LEU A 66 -7.109 9.679 -2.991 1.00 44.32 O ATOM 1030 CB LEU A 66 -5.588 8.629 -0.061 1.00 51.11 C ATOM 1031 CG LEU A 66 -5.094 7.452 0.800 1.00 43.32 C ATOM 1032 CD1 LEU A 66 -3.931 7.882 1.693 1.00 3.24 C ATOM 1033 CD2 LEU A 66 -6.233 6.876 1.641 1.00 32.51 C ATOM 0 H LEU A 66 -5.424 7.523 -2.511 1.00 63.43 H new ATOM 0 HA LEU A 66 -7.570 7.894 -0.495 1.00 63.23 H new ATOM 0 HB2 LEU A 66 -4.743 9.023 -0.626 1.00 51.11 H new ATOM 0 HB3 LEU A 66 -5.927 9.425 0.602 1.00 51.11 H new ATOM 0 HG LEU A 66 -4.738 6.671 0.128 1.00 43.32 H new ATOM 0 HD11 LEU A 66 -3.599 7.034 2.292 1.00 3.24 H new ATOM 0 HD12 LEU A 66 -3.106 8.233 1.073 1.00 3.24 H new ATOM 0 HD13 LEU A 66 -4.257 8.686 2.353 1.00 3.24 H new ATOM 0 HD21 LEU A 66 -5.859 6.046 2.240 1.00 32.51 H new ATOM 0 HD22 LEU A 66 -6.627 7.650 2.299 1.00 32.51 H new ATOM 0 HD23 LEU A 66 -7.027 6.520 0.984 1.00 32.51 H new ATOM 1045 N LYS A 67 -7.658 10.559 -0.986 1.00 62.55 N ATOM 1046 CA LYS A 67 -8.105 11.848 -1.538 1.00 51.41 C ATOM 1047 C LYS A 67 -6.927 12.651 -2.124 1.00 31.31 C ATOM 1048 O LYS A 67 -5.764 12.294 -1.931 1.00 62.21 O ATOM 1049 CB LYS A 67 -8.808 12.681 -0.454 1.00 31.42 C ATOM 1050 CG LYS A 67 -10.054 12.021 0.137 1.00 60.12 C ATOM 1051 CD LYS A 67 -10.729 12.918 1.177 1.00 31.03 C ATOM 1052 CE LYS A 67 -9.779 13.275 2.317 1.00 65.24 C ATOM 1053 NZ LYS A 67 -10.391 14.218 3.290 1.00 73.34 N ATOM 0 H LYS A 67 -7.745 10.486 0.028 1.00 62.55 H new ATOM 0 HA LYS A 67 -8.807 11.633 -2.343 1.00 51.41 H new ATOM 0 HB2 LYS A 67 -8.100 12.880 0.351 1.00 31.42 H new ATOM 0 HB3 LYS A 67 -9.088 13.645 -0.878 1.00 31.42 H new ATOM 0 HG2 LYS A 67 -10.760 11.795 -0.662 1.00 60.12 H new ATOM 0 HG3 LYS A 67 -9.780 11.072 0.598 1.00 60.12 H new ATOM 0 HD2 LYS A 67 -11.080 13.831 0.697 1.00 31.03 H new ATOM 0 HD3 LYS A 67 -11.606 12.412 1.580 1.00 31.03 H new ATOM 0 HE2 LYS A 67 -9.480 12.364 2.836 1.00 65.24 H new ATOM 0 HE3 LYS A 67 -8.873 13.719 1.906 1.00 65.24 H new ATOM 0 HZ1 LYS A 67 -9.708 14.430 4.045 1.00 73.34 H new ATOM 0 HZ2 LYS A 67 -10.653 15.099 2.802 1.00 73.34 H new ATOM 0 HZ3 LYS A 67 -11.241 13.786 3.704 1.00 73.34 H new ATOM 1067 N GLY A 68 -7.239 13.752 -2.810 1.00 24.14 N ATOM 1068 CA GLY A 68 -6.209 14.562 -3.465 1.00 24.25 C ATOM 1069 C GLY A 68 -5.115 15.056 -2.517 1.00 41.21 C ATOM 1070 O GLY A 68 -3.936 15.072 -2.873 1.00 11.51 O ATOM 0 H GLY A 68 -8.190 14.102 -2.926 1.00 24.14 H new ATOM 0 HA2 GLY A 68 -5.750 13.975 -4.260 1.00 24.25 H new ATOM 0 HA3 GLY A 68 -6.683 15.422 -3.937 1.00 24.25 H new ATOM 1074 N ARG A 69 -5.502 15.462 -1.309 1.00 32.42 N ATOM 1075 CA ARG A 69 -4.536 15.948 -0.313 1.00 40.40 C ATOM 1076 C ARG A 69 -3.811 14.788 0.391 1.00 64.14 C ATOM 1077 O ARG A 69 -2.589 14.814 0.554 1.00 3.35 O ATOM 1078 CB ARG A 69 -5.239 16.848 0.711 1.00 75.13 C ATOM 1079 CG ARG A 69 -5.816 18.124 0.101 1.00 71.42 C ATOM 1080 CD ARG A 69 -4.733 18.975 -0.559 1.00 54.12 C ATOM 1081 NE ARG A 69 -5.284 20.151 -1.227 1.00 21.15 N ATOM 1082 CZ ARG A 69 -4.573 21.161 -1.650 1.00 11.01 C ATOM 1083 NH1 ARG A 69 -3.289 21.181 -1.483 1.00 24.34 N ATOM 1084 NH2 ARG A 69 -5.149 22.149 -2.247 1.00 2.44 N ATOM 0 H ARG A 69 -6.472 15.466 -0.993 1.00 32.42 H new ATOM 0 HA ARG A 69 -3.780 16.532 -0.838 1.00 40.40 H new ATOM 0 HB2 ARG A 69 -6.043 16.286 1.187 1.00 75.13 H new ATOM 0 HB3 ARG A 69 -4.531 17.117 1.495 1.00 75.13 H new ATOM 0 HG2 ARG A 69 -6.574 17.864 -0.637 1.00 71.42 H new ATOM 0 HG3 ARG A 69 -6.313 18.706 0.877 1.00 71.42 H new ATOM 0 HD2 ARG A 69 -4.013 19.292 0.195 1.00 54.12 H new ATOM 0 HD3 ARG A 69 -4.189 18.369 -1.284 1.00 54.12 H new ATOM 0 HE ARG A 69 -6.293 20.186 -1.373 1.00 21.15 H new ATOM 0 HH11 ARG A 69 -2.823 20.402 -1.017 1.00 24.34 H new ATOM 0 HH12 ARG A 69 -2.744 21.975 -1.818 1.00 24.34 H new ATOM 0 HH21 ARG A 69 -6.159 22.141 -2.388 1.00 2.44 H new ATOM 0 HH22 ARG A 69 -4.594 22.938 -2.578 1.00 2.44 H new ATOM 1098 N ASP A 70 -4.566 13.774 0.808 1.00 43.33 N ATOM 1099 CA ASP A 70 -3.979 12.568 1.405 1.00 64.20 C ATOM 1100 C ASP A 70 -3.032 11.859 0.421 1.00 71.25 C ATOM 1101 O ASP A 70 -2.138 11.113 0.827 1.00 43.00 O ATOM 1102 CB ASP A 70 -5.089 11.613 1.853 1.00 41.33 C ATOM 1103 CG ASP A 70 -6.000 12.243 2.892 1.00 45.15 C ATOM 1104 OD1 ASP A 70 -6.733 13.190 2.545 1.00 63.34 O ATOM 1105 OD2 ASP A 70 -5.982 11.798 4.061 1.00 74.25 O ATOM 0 H ASP A 70 -5.584 13.760 0.745 1.00 43.33 H new ATOM 0 HA ASP A 70 -3.393 12.871 2.273 1.00 64.20 H new ATOM 0 HB2 ASP A 70 -5.680 11.313 0.987 1.00 41.33 H new ATOM 0 HB3 ASP A 70 -4.643 10.707 2.264 1.00 41.33 H new ATOM 1110 N LEU A 71 -3.237 12.102 -0.875 1.00 3.31 N ATOM 1111 CA LEU A 71 -2.364 11.567 -1.924 1.00 24.31 C ATOM 1112 C LEU A 71 -0.922 12.052 -1.723 1.00 23.13 C ATOM 1113 O LEU A 71 -0.005 11.246 -1.586 1.00 4.15 O ATOM 1114 CB LEU A 71 -2.898 11.986 -3.307 1.00 33.31 C ATOM 1115 CG LEU A 71 -2.231 11.328 -4.535 1.00 24.24 C ATOM 1116 CD1 LEU A 71 -3.126 11.468 -5.761 1.00 43.45 C ATOM 1117 CD2 LEU A 71 -0.856 11.938 -4.825 1.00 1.00 C ATOM 0 H LEU A 71 -4.007 12.671 -1.226 1.00 3.31 H new ATOM 0 HA LEU A 71 -2.361 10.479 -1.866 1.00 24.31 H new ATOM 0 HB2 LEU A 71 -3.965 11.767 -3.341 1.00 33.31 H new ATOM 0 HB3 LEU A 71 -2.792 13.067 -3.400 1.00 33.31 H new ATOM 0 HG LEU A 71 -2.091 10.272 -4.306 1.00 24.24 H new ATOM 0 HD11 LEU A 71 -2.644 11.000 -6.619 1.00 43.45 H new ATOM 0 HD12 LEU A 71 -4.082 10.980 -5.571 1.00 43.45 H new ATOM 0 HD13 LEU A 71 -3.293 12.524 -5.971 1.00 43.45 H new ATOM 0 HD21 LEU A 71 -0.418 11.450 -5.695 1.00 1.00 H new ATOM 0 HD22 LEU A 71 -0.965 13.004 -5.024 1.00 1.00 H new ATOM 0 HD23 LEU A 71 -0.205 11.795 -3.963 1.00 1.00 H new ATOM 1129 N ASP A 72 -0.729 13.373 -1.708 1.00 13.34 N ATOM 1130 CA ASP A 72 0.596 13.958 -1.472 1.00 54.42 C ATOM 1131 C ASP A 72 1.153 13.547 -0.098 1.00 3.34 C ATOM 1132 O ASP A 72 2.355 13.363 0.060 1.00 62.20 O ATOM 1133 CB ASP A 72 0.535 15.483 -1.585 1.00 73.24 C ATOM 1134 CG ASP A 72 0.258 15.940 -3.006 1.00 1.34 C ATOM 1135 OD1 ASP A 72 -0.925 16.052 -3.385 1.00 33.54 O ATOM 1136 OD2 ASP A 72 1.228 16.197 -3.752 1.00 53.41 O ATOM 0 H ASP A 72 -1.471 14.058 -1.856 1.00 13.34 H new ATOM 0 HA ASP A 72 1.271 13.574 -2.237 1.00 54.42 H new ATOM 0 HB2 ASP A 72 -0.243 15.864 -0.924 1.00 73.24 H new ATOM 0 HB3 ASP A 72 1.479 15.909 -1.245 1.00 73.24 H new ATOM 1141 N ARG A 73 0.267 13.405 0.884 1.00 1.43 N ATOM 1142 CA ARG A 73 0.645 12.915 2.217 1.00 12.23 C ATOM 1143 C ARG A 73 1.311 11.526 2.142 1.00 23.20 C ATOM 1144 O ARG A 73 2.409 11.316 2.674 1.00 63.52 O ATOM 1145 CB ARG A 73 -0.602 12.883 3.114 1.00 5.25 C ATOM 1146 CG ARG A 73 -0.440 12.123 4.429 1.00 64.23 C ATOM 1147 CD ARG A 73 -1.660 12.317 5.327 1.00 12.31 C ATOM 1148 NE ARG A 73 -1.750 11.314 6.391 1.00 34.54 N ATOM 1149 CZ ARG A 73 -2.179 11.568 7.600 1.00 64.31 C ATOM 1150 NH1 ARG A 73 -2.389 12.790 7.982 1.00 25.42 N ATOM 1151 NH2 ARG A 73 -2.381 10.595 8.431 1.00 21.14 N ATOM 0 H ARG A 73 -0.725 13.622 0.786 1.00 1.43 H new ATOM 0 HA ARG A 73 1.381 13.595 2.647 1.00 12.23 H new ATOM 0 HB2 ARG A 73 -0.894 13.909 3.340 1.00 5.25 H new ATOM 0 HB3 ARG A 73 -1.422 12.435 2.553 1.00 5.25 H new ATOM 0 HG2 ARG A 73 -0.299 11.062 4.225 1.00 64.23 H new ATOM 0 HG3 ARG A 73 0.455 12.470 4.946 1.00 64.23 H new ATOM 0 HD2 ARG A 73 -1.622 13.311 5.774 1.00 12.31 H new ATOM 0 HD3 ARG A 73 -2.563 12.276 4.718 1.00 12.31 H new ATOM 0 HE ARG A 73 -1.461 10.360 6.176 1.00 34.54 H new ATOM 0 HH11 ARG A 73 -2.219 13.562 7.337 1.00 25.42 H new ATOM 0 HH12 ARG A 73 -2.724 12.979 8.927 1.00 25.42 H new ATOM 0 HH21 ARG A 73 -2.205 9.633 8.142 1.00 21.14 H new ATOM 0 HH22 ARG A 73 -2.716 10.791 9.374 1.00 21.14 H new ATOM 1165 N GLN A 74 0.653 10.582 1.472 1.00 33.52 N ATOM 1166 CA GLN A 74 1.222 9.245 1.272 1.00 3.50 C ATOM 1167 C GLN A 74 2.471 9.317 0.377 1.00 25.41 C ATOM 1168 O GLN A 74 3.495 8.693 0.663 1.00 41.45 O ATOM 1169 CB GLN A 74 0.181 8.303 0.647 1.00 5.23 C ATOM 1170 CG GLN A 74 0.646 6.851 0.571 1.00 74.52 C ATOM 1171 CD GLN A 74 -0.398 5.899 0.004 1.00 44.54 C ATOM 1172 OE1 GLN A 74 -1.594 6.126 0.116 1.00 51.34 O ATOM 1173 NE2 GLN A 74 0.053 4.803 -0.577 1.00 52.52 N ATOM 0 H GLN A 74 -0.270 10.714 1.059 1.00 33.52 H new ATOM 0 HA GLN A 74 1.512 8.850 2.246 1.00 3.50 H new ATOM 0 HB2 GLN A 74 -0.739 8.352 1.230 1.00 5.23 H new ATOM 0 HB3 GLN A 74 -0.059 8.653 -0.357 1.00 5.23 H new ATOM 0 HG2 GLN A 74 1.544 6.799 -0.045 1.00 74.52 H new ATOM 0 HG3 GLN A 74 0.925 6.516 1.570 1.00 74.52 H new ATOM 0 HE21 GLN A 74 1.057 4.643 -0.655 1.00 52.52 H new ATOM 0 HE22 GLN A 74 -0.603 4.116 -0.948 1.00 52.52 H new ATOM 1182 N LYS A 75 2.371 10.100 -0.696 1.00 75.45 N ATOM 1183 CA LYS A 75 3.478 10.303 -1.637 1.00 21.14 C ATOM 1184 C LYS A 75 4.742 10.812 -0.923 1.00 62.03 C ATOM 1185 O LYS A 75 5.848 10.364 -1.213 1.00 62.52 O ATOM 1186 CB LYS A 75 3.037 11.286 -2.736 1.00 51.00 C ATOM 1187 CG LYS A 75 4.121 11.639 -3.753 1.00 25.54 C ATOM 1188 CD LYS A 75 3.552 12.458 -4.910 1.00 63.32 C ATOM 1189 CE LYS A 75 4.641 12.930 -5.868 1.00 33.42 C ATOM 1190 NZ LYS A 75 5.519 13.959 -5.250 1.00 52.04 N ATOM 0 H LYS A 75 1.523 10.612 -0.940 1.00 75.45 H new ATOM 0 HA LYS A 75 3.731 9.344 -2.089 1.00 21.14 H new ATOM 0 HB2 LYS A 75 2.186 10.858 -3.267 1.00 51.00 H new ATOM 0 HB3 LYS A 75 2.689 12.205 -2.264 1.00 51.00 H new ATOM 0 HG2 LYS A 75 4.914 12.203 -3.261 1.00 25.54 H new ATOM 0 HG3 LYS A 75 4.572 10.725 -4.139 1.00 25.54 H new ATOM 0 HD2 LYS A 75 2.825 11.857 -5.456 1.00 63.32 H new ATOM 0 HD3 LYS A 75 3.018 13.322 -4.514 1.00 63.32 H new ATOM 0 HE2 LYS A 75 5.245 12.077 -6.179 1.00 33.42 H new ATOM 0 HE3 LYS A 75 4.180 13.339 -6.767 1.00 33.42 H new ATOM 0 HZ1 LYS A 75 6.314 14.166 -5.888 1.00 52.04 H new ATOM 0 HZ2 LYS A 75 4.972 14.828 -5.085 1.00 52.04 H new ATOM 0 HZ3 LYS A 75 5.886 13.604 -4.344 1.00 52.04 H new ATOM 1204 N GLN A 76 4.569 11.732 0.026 1.00 1.10 N ATOM 1205 CA GLN A 76 5.688 12.250 0.827 1.00 61.44 C ATOM 1206 C GLN A 76 6.351 11.137 1.649 1.00 23.24 C ATOM 1207 O GLN A 76 7.581 11.037 1.701 1.00 63.54 O ATOM 1208 CB GLN A 76 5.207 13.383 1.751 1.00 14.35 C ATOM 1209 CG GLN A 76 4.950 14.704 1.027 1.00 2.04 C ATOM 1210 CD GLN A 76 6.231 15.423 0.621 1.00 43.12 C ATOM 1211 OE1 GLN A 76 7.271 14.808 0.396 1.00 20.32 O ATOM 1212 NE2 GLN A 76 6.165 16.734 0.514 1.00 12.23 N ATOM 0 H GLN A 76 3.663 12.137 0.262 1.00 1.10 H new ATOM 0 HA GLN A 76 6.434 12.647 0.139 1.00 61.44 H new ATOM 0 HB2 GLN A 76 4.290 13.068 2.249 1.00 14.35 H new ATOM 0 HB3 GLN A 76 5.953 13.545 2.529 1.00 14.35 H new ATOM 0 HG2 GLN A 76 4.350 14.513 0.137 1.00 2.04 H new ATOM 0 HG3 GLN A 76 4.363 15.357 1.673 1.00 2.04 H new ATOM 0 HE21 GLN A 76 5.288 17.218 0.707 1.00 12.23 H new ATOM 0 HE22 GLN A 76 6.991 17.265 0.238 1.00 12.23 H new ATOM 1221 N LYS A 77 5.531 10.303 2.288 1.00 75.40 N ATOM 1222 CA LYS A 77 6.034 9.143 3.037 1.00 12.45 C ATOM 1223 C LYS A 77 6.802 8.169 2.120 1.00 0.40 C ATOM 1224 O LYS A 77 7.779 7.545 2.535 1.00 42.14 O ATOM 1225 CB LYS A 77 4.871 8.408 3.727 1.00 21.23 C ATOM 1226 CG LYS A 77 4.143 9.213 4.816 1.00 24.32 C ATOM 1227 CD LYS A 77 4.887 9.216 6.160 1.00 32.25 C ATOM 1228 CE LYS A 77 6.096 10.149 6.170 1.00 14.13 C ATOM 1229 NZ LYS A 77 6.863 10.060 7.443 1.00 10.42 N ATOM 0 H LYS A 77 4.516 10.405 2.304 1.00 75.40 H new ATOM 0 HA LYS A 77 6.726 9.512 3.794 1.00 12.45 H new ATOM 0 HB2 LYS A 77 4.146 8.115 2.968 1.00 21.23 H new ATOM 0 HB3 LYS A 77 5.255 7.490 4.172 1.00 21.23 H new ATOM 0 HG2 LYS A 77 4.015 10.241 4.476 1.00 24.32 H new ATOM 0 HG3 LYS A 77 3.145 8.798 4.960 1.00 24.32 H new ATOM 0 HD2 LYS A 77 4.198 9.515 6.950 1.00 32.25 H new ATOM 0 HD3 LYS A 77 5.215 8.202 6.390 1.00 32.25 H new ATOM 0 HE2 LYS A 77 6.751 9.901 5.335 1.00 14.13 H new ATOM 0 HE3 LYS A 77 5.762 11.176 6.020 1.00 14.13 H new ATOM 0 HZ1 LYS A 77 7.674 10.710 7.406 1.00 10.42 H new ATOM 0 HZ2 LYS A 77 6.246 10.321 8.239 1.00 10.42 H new ATOM 0 HZ3 LYS A 77 7.205 9.087 7.575 1.00 10.42 H new ATOM 1243 N LEU A 78 6.351 8.055 0.870 1.00 3.11 N ATOM 1244 CA LEU A 78 6.991 7.180 -0.122 1.00 52.25 C ATOM 1245 C LEU A 78 8.314 7.773 -0.641 1.00 45.14 C ATOM 1246 O LEU A 78 9.334 7.082 -0.723 1.00 13.13 O ATOM 1247 CB LEU A 78 6.028 6.938 -1.291 1.00 1.10 C ATOM 1248 CG LEU A 78 4.723 6.210 -0.920 1.00 54.04 C ATOM 1249 CD1 LEU A 78 3.756 6.190 -2.099 1.00 14.42 C ATOM 1250 CD2 LEU A 78 5.019 4.790 -0.437 1.00 71.41 C ATOM 0 H LEU A 78 5.539 8.560 0.516 1.00 3.11 H new ATOM 0 HA LEU A 78 7.226 6.234 0.366 1.00 52.25 H new ATOM 0 HB2 LEU A 78 5.775 7.899 -1.739 1.00 1.10 H new ATOM 0 HB3 LEU A 78 6.546 6.357 -2.054 1.00 1.10 H new ATOM 0 HG LEU A 78 4.248 6.757 -0.106 1.00 54.04 H new ATOM 0 HD11 LEU A 78 2.842 5.670 -1.811 1.00 14.42 H new ATOM 0 HD12 LEU A 78 3.516 7.213 -2.390 1.00 14.42 H new ATOM 0 HD13 LEU A 78 4.218 5.673 -2.940 1.00 14.42 H new ATOM 0 HD21 LEU A 78 4.085 4.291 -0.179 1.00 71.41 H new ATOM 0 HD22 LEU A 78 5.521 4.234 -1.229 1.00 71.41 H new ATOM 0 HD23 LEU A 78 5.663 4.831 0.442 1.00 71.41 H new ATOM 1262 N GLU A 79 8.299 9.057 -0.990 1.00 23.35 N ATOM 1263 CA GLU A 79 9.505 9.733 -1.476 1.00 13.34 C ATOM 1264 C GLU A 79 10.560 9.864 -0.367 1.00 64.31 C ATOM 1265 O GLU A 79 11.742 10.076 -0.646 1.00 32.03 O ATOM 1266 CB GLU A 79 9.157 11.109 -2.060 1.00 14.21 C ATOM 1267 CG GLU A 79 8.227 11.032 -3.268 1.00 33.41 C ATOM 1268 CD GLU A 79 7.932 12.391 -3.880 1.00 44.42 C ATOM 1269 OE1 GLU A 79 7.228 13.198 -3.238 1.00 43.34 O ATOM 1270 OE2 GLU A 79 8.390 12.659 -5.013 1.00 22.42 O ATOM 0 H GLU A 79 7.470 9.650 -0.947 1.00 23.35 H new ATOM 0 HA GLU A 79 9.933 9.120 -2.269 1.00 13.34 H new ATOM 0 HB2 GLU A 79 8.688 11.717 -1.286 1.00 14.21 H new ATOM 0 HB3 GLU A 79 10.077 11.617 -2.350 1.00 14.21 H new ATOM 0 HG2 GLU A 79 8.677 10.389 -4.025 1.00 33.41 H new ATOM 0 HG3 GLU A 79 7.289 10.564 -2.968 1.00 33.41 H new ATOM 1277 N ALA A 80 10.130 9.724 0.889 1.00 70.43 N ATOM 1278 CA ALA A 80 11.062 9.656 2.023 1.00 73.03 C ATOM 1279 C ALA A 80 11.978 8.422 1.915 1.00 10.51 C ATOM 1280 O ALA A 80 13.113 8.429 2.397 1.00 22.22 O ATOM 1281 CB ALA A 80 10.294 9.642 3.339 1.00 35.50 C ATOM 0 H ALA A 80 9.146 9.655 1.149 1.00 70.43 H new ATOM 0 HA ALA A 80 11.694 10.544 1.998 1.00 73.03 H new ATOM 0 HB1 ALA A 80 10.997 9.591 4.170 1.00 35.50 H new ATOM 0 HB2 ALA A 80 9.698 10.551 3.422 1.00 35.50 H new ATOM 0 HB3 ALA A 80 9.636 8.773 3.367 1.00 35.50 H new ATOM 1287 N GLU A 81 11.470 7.360 1.289 1.00 14.15 N ATOM 1288 CA GLU A 81 12.287 6.180 0.961 1.00 63.43 C ATOM 1289 C GLU A 81 12.942 6.335 -0.422 1.00 23.34 C ATOM 1290 O GLU A 81 13.916 5.655 -0.749 1.00 2.41 O ATOM 1291 CB GLU A 81 11.428 4.906 0.979 1.00 34.04 C ATOM 1292 CG GLU A 81 10.885 4.538 2.356 1.00 51.13 C ATOM 1293 CD GLU A 81 10.117 3.223 2.352 1.00 30.32 C ATOM 1294 OE1 GLU A 81 10.666 2.210 1.871 1.00 3.44 O ATOM 1295 OE2 GLU A 81 8.968 3.190 2.840 1.00 65.14 O ATOM 0 H GLU A 81 10.496 7.288 0.996 1.00 14.15 H new ATOM 0 HA GLU A 81 13.069 6.097 1.716 1.00 63.43 H new ATOM 0 HB2 GLU A 81 10.591 5.036 0.293 1.00 34.04 H new ATOM 0 HB3 GLU A 81 12.023 4.075 0.601 1.00 34.04 H new ATOM 0 HG2 GLU A 81 11.713 4.469 3.062 1.00 51.13 H new ATOM 0 HG3 GLU A 81 10.231 5.335 2.709 1.00 51.13 H new ATOM 1302 N GLY A 82 12.393 7.240 -1.228 1.00 64.33 N ATOM 1303 CA GLY A 82 12.880 7.447 -2.586 1.00 52.44 C ATOM 1304 C GLY A 82 12.184 6.548 -3.601 1.00 52.14 C ATOM 1305 O GLY A 82 12.830 5.823 -4.350 1.00 72.23 O ATOM 0 H GLY A 82 11.612 7.840 -0.963 1.00 64.33 H new ATOM 0 HA2 GLY A 82 12.731 8.490 -2.867 1.00 52.44 H new ATOM 0 HA3 GLY A 82 13.953 7.260 -2.616 1.00 52.44 H new ATOM 1309 N ILE A 83 10.857 6.582 -3.607 1.00 13.55 N ATOM 1310 CA ILE A 83 10.061 5.790 -4.551 1.00 14.12 C ATOM 1311 C ILE A 83 9.587 6.652 -5.733 1.00 75.34 C ATOM 1312 O ILE A 83 9.089 7.764 -5.541 1.00 50.15 O ATOM 1313 CB ILE A 83 8.831 5.152 -3.845 1.00 52.24 C ATOM 1314 CG1 ILE A 83 9.295 4.209 -2.719 1.00 74.12 C ATOM 1315 CG2 ILE A 83 7.946 4.406 -4.845 1.00 42.41 C ATOM 1316 CD1 ILE A 83 8.165 3.546 -1.956 1.00 63.03 C ATOM 0 H ILE A 83 10.302 7.151 -2.967 1.00 13.55 H new ATOM 0 HA ILE A 83 10.703 4.994 -4.930 1.00 14.12 H new ATOM 0 HB ILE A 83 8.235 5.953 -3.408 1.00 52.24 H new ATOM 0 HG12 ILE A 83 9.931 3.435 -3.148 1.00 74.12 H new ATOM 0 HG13 ILE A 83 9.909 4.774 -2.018 1.00 74.12 H new ATOM 0 HG21 ILE A 83 7.094 3.970 -4.323 1.00 42.41 H new ATOM 0 HG22 ILE A 83 7.589 5.102 -5.605 1.00 42.41 H new ATOM 0 HG23 ILE A 83 8.523 3.614 -5.321 1.00 42.41 H new ATOM 0 HD11 ILE A 83 8.579 2.899 -1.182 1.00 63.03 H new ATOM 0 HD12 ILE A 83 7.540 4.310 -1.494 1.00 63.03 H new ATOM 0 HD13 ILE A 83 7.563 2.951 -2.642 1.00 63.03 H new ATOM 1328 N GLU A 84 9.765 6.143 -6.953 1.00 34.23 N ATOM 1329 CA GLU A 84 9.318 6.840 -8.164 1.00 44.22 C ATOM 1330 C GLU A 84 7.781 6.913 -8.226 1.00 54.15 C ATOM 1331 O GLU A 84 7.113 5.996 -8.712 1.00 63.31 O ATOM 1332 CB GLU A 84 9.871 6.133 -9.415 1.00 32.43 C ATOM 1333 CG GLU A 84 9.461 6.775 -10.738 1.00 40.21 C ATOM 1334 CD GLU A 84 9.984 6.007 -11.944 1.00 24.25 C ATOM 1335 OE1 GLU A 84 9.348 5.007 -12.346 1.00 71.14 O ATOM 1336 OE2 GLU A 84 11.041 6.389 -12.488 1.00 31.24 O ATOM 0 H GLU A 84 10.218 5.246 -7.131 1.00 34.23 H new ATOM 0 HA GLU A 84 9.702 7.860 -8.133 1.00 44.22 H new ATOM 0 HB2 GLU A 84 10.959 6.116 -9.356 1.00 32.43 H new ATOM 0 HB3 GLU A 84 9.535 5.096 -9.409 1.00 32.43 H new ATOM 0 HG2 GLU A 84 8.374 6.830 -10.790 1.00 40.21 H new ATOM 0 HG3 GLU A 84 9.834 7.798 -10.773 1.00 40.21 H new ATOM 1343 N VAL A 85 7.228 8.000 -7.696 1.00 24.04 N ATOM 1344 CA VAL A 85 5.778 8.215 -7.692 1.00 14.50 C ATOM 1345 C VAL A 85 5.388 9.345 -8.654 1.00 2.21 C ATOM 1346 O VAL A 85 5.853 10.481 -8.517 1.00 75.31 O ATOM 1347 CB VAL A 85 5.264 8.570 -6.269 1.00 51.24 C ATOM 1348 CG1 VAL A 85 3.739 8.670 -6.251 1.00 61.21 C ATOM 1349 CG2 VAL A 85 5.753 7.550 -5.243 1.00 61.23 C ATOM 0 H VAL A 85 7.763 8.752 -7.261 1.00 24.04 H new ATOM 0 HA VAL A 85 5.317 7.282 -8.018 1.00 14.50 H new ATOM 0 HB VAL A 85 5.671 9.544 -5.997 1.00 51.24 H new ATOM 0 HG11 VAL A 85 3.403 8.919 -5.245 1.00 61.21 H new ATOM 0 HG12 VAL A 85 3.417 9.447 -6.944 1.00 61.21 H new ATOM 0 HG13 VAL A 85 3.308 7.715 -6.551 1.00 61.21 H new ATOM 0 HG21 VAL A 85 5.380 7.820 -4.255 1.00 61.23 H new ATOM 0 HG22 VAL A 85 5.386 6.559 -5.511 1.00 61.23 H new ATOM 0 HG23 VAL A 85 6.843 7.541 -5.230 1.00 61.23 H new ATOM 1359 N SER A 86 4.550 9.030 -9.640 1.00 72.33 N ATOM 1360 CA SER A 86 4.020 10.050 -10.557 1.00 62.44 C ATOM 1361 C SER A 86 3.163 11.065 -9.792 1.00 4.22 C ATOM 1362 O SER A 86 2.511 10.709 -8.809 1.00 35.41 O ATOM 1363 CB SER A 86 3.184 9.405 -11.671 1.00 14.14 C ATOM 1364 OG SER A 86 2.622 10.386 -12.530 1.00 53.32 O ATOM 0 H SER A 86 4.222 8.083 -9.828 1.00 72.33 H new ATOM 0 HA SER A 86 4.867 10.565 -11.009 1.00 62.44 H new ATOM 0 HB2 SER A 86 3.809 8.726 -12.251 1.00 14.14 H new ATOM 0 HB3 SER A 86 2.387 8.806 -11.230 1.00 14.14 H new ATOM 0 HG SER A 86 2.097 9.945 -13.230 1.00 53.32 H new ATOM 1370 N GLU A 87 3.150 12.314 -10.265 1.00 2.55 N ATOM 1371 CA GLU A 87 2.502 13.431 -9.552 1.00 74.12 C ATOM 1372 C GLU A 87 1.062 13.101 -9.112 1.00 63.33 C ATOM 1373 O GLU A 87 0.636 13.471 -8.017 1.00 32.42 O ATOM 1374 CB GLU A 87 2.499 14.679 -10.447 1.00 21.51 C ATOM 1375 CG GLU A 87 2.101 15.965 -9.726 1.00 12.34 C ATOM 1376 CD GLU A 87 3.103 16.368 -8.655 1.00 15.05 C ATOM 1377 OE1 GLU A 87 4.115 17.017 -8.992 1.00 52.42 O ATOM 1378 OE2 GLU A 87 2.898 16.027 -7.473 1.00 4.43 O ATOM 0 H GLU A 87 3.584 12.584 -11.148 1.00 2.55 H new ATOM 0 HA GLU A 87 3.079 13.615 -8.646 1.00 74.12 H new ATOM 0 HB2 GLU A 87 3.493 14.808 -10.875 1.00 21.51 H new ATOM 0 HB3 GLU A 87 1.813 14.515 -11.278 1.00 21.51 H new ATOM 0 HG2 GLU A 87 2.008 16.771 -10.453 1.00 12.34 H new ATOM 0 HG3 GLU A 87 1.120 15.833 -9.270 1.00 12.34 H new ATOM 1385 N ILE A 88 0.323 12.389 -9.960 1.00 41.43 N ATOM 1386 CA ILE A 88 -1.064 12.003 -9.653 1.00 41.14 C ATOM 1387 C ILE A 88 -1.134 10.782 -8.708 1.00 44.23 C ATOM 1388 O ILE A 88 -2.178 10.137 -8.586 1.00 62.33 O ATOM 1389 CB ILE A 88 -1.853 11.687 -10.951 1.00 33.42 C ATOM 1390 CG1 ILE A 88 -1.180 10.538 -11.724 1.00 11.42 C ATOM 1391 CG2 ILE A 88 -1.968 12.939 -11.821 1.00 61.32 C ATOM 1392 CD1 ILE A 88 -1.920 10.125 -12.981 1.00 3.24 C ATOM 0 H ILE A 88 0.657 12.064 -10.868 1.00 41.43 H new ATOM 0 HA ILE A 88 -1.517 12.856 -9.147 1.00 41.14 H new ATOM 0 HB ILE A 88 -2.859 11.368 -10.680 1.00 33.42 H new ATOM 0 HG12 ILE A 88 -0.167 10.839 -11.993 1.00 11.42 H new ATOM 0 HG13 ILE A 88 -1.092 9.674 -11.066 1.00 11.42 H new ATOM 0 HG21 ILE A 88 -2.524 12.702 -12.728 1.00 61.32 H new ATOM 0 HG22 ILE A 88 -2.491 13.719 -11.268 1.00 61.32 H new ATOM 0 HG23 ILE A 88 -0.971 13.290 -12.088 1.00 61.32 H new ATOM 0 HD11 ILE A 88 -1.383 9.311 -13.468 1.00 3.24 H new ATOM 0 HD12 ILE A 88 -2.924 9.792 -12.719 1.00 3.24 H new ATOM 0 HD13 ILE A 88 -1.985 10.975 -13.660 1.00 3.24 H new ATOM 1404 N GLY A 89 -0.024 10.488 -8.028 1.00 32.02 N ATOM 1405 CA GLY A 89 0.031 9.354 -7.112 1.00 13.22 C ATOM 1406 C GLY A 89 0.050 8.005 -7.821 1.00 62.01 C ATOM 1407 O GLY A 89 -0.652 7.080 -7.416 1.00 72.24 O ATOM 0 H GLY A 89 0.844 11.019 -8.096 1.00 32.02 H new ATOM 0 HA2 GLY A 89 0.922 9.442 -6.490 1.00 13.22 H new ATOM 0 HA3 GLY A 89 -0.830 9.393 -6.444 1.00 13.22 H new ATOM 1411 N LYS A 90 0.864 7.889 -8.870 1.00 50.11 N ATOM 1412 CA LYS A 90 0.938 6.645 -9.658 1.00 35.54 C ATOM 1413 C LYS A 90 2.348 6.026 -9.619 1.00 55.25 C ATOM 1414 O LYS A 90 3.303 6.591 -10.154 1.00 61.32 O ATOM 1415 CB LYS A 90 0.500 6.914 -11.108 1.00 24.45 C ATOM 1416 CG LYS A 90 0.651 5.714 -12.046 1.00 11.01 C ATOM 1417 CD LYS A 90 -0.106 5.916 -13.361 1.00 72.04 C ATOM 1418 CE LYS A 90 0.314 7.188 -14.091 1.00 53.53 C ATOM 1419 NZ LYS A 90 1.719 7.134 -14.576 1.00 15.30 N ATOM 0 H LYS A 90 1.480 8.633 -9.198 1.00 50.11 H new ATOM 0 HA LYS A 90 0.257 5.922 -9.209 1.00 35.54 H new ATOM 0 HB2 LYS A 90 -0.543 7.230 -11.107 1.00 24.45 H new ATOM 0 HB3 LYS A 90 1.085 7.745 -11.503 1.00 24.45 H new ATOM 0 HG2 LYS A 90 1.708 5.550 -12.257 1.00 11.01 H new ATOM 0 HG3 LYS A 90 0.282 4.817 -11.549 1.00 11.01 H new ATOM 0 HD2 LYS A 90 0.064 5.057 -14.009 1.00 72.04 H new ATOM 0 HD3 LYS A 90 -1.176 5.955 -13.157 1.00 72.04 H new ATOM 0 HE2 LYS A 90 -0.352 7.353 -14.938 1.00 53.53 H new ATOM 0 HE3 LYS A 90 0.197 8.041 -13.423 1.00 53.53 H new ATOM 0 HZ1 LYS A 90 1.952 8.022 -15.064 1.00 15.30 H new ATOM 0 HZ2 LYS A 90 2.361 7.004 -13.768 1.00 15.30 H new ATOM 0 HZ3 LYS A 90 1.828 6.338 -15.236 1.00 15.30 H new ATOM 1433 N ILE A 91 2.459 4.861 -8.979 1.00 11.21 N ATOM 1434 CA ILE A 91 3.738 4.153 -8.831 1.00 23.12 C ATOM 1435 C ILE A 91 3.891 3.036 -9.880 1.00 15.01 C ATOM 1436 O ILE A 91 2.931 2.337 -10.205 1.00 54.13 O ATOM 1437 CB ILE A 91 3.862 3.519 -7.422 1.00 45.22 C ATOM 1438 CG1 ILE A 91 3.631 4.576 -6.330 1.00 53.24 C ATOM 1439 CG2 ILE A 91 5.226 2.851 -7.244 1.00 15.31 C ATOM 1440 CD1 ILE A 91 3.680 4.020 -4.918 1.00 42.31 C ATOM 0 H ILE A 91 1.669 4.380 -8.549 1.00 11.21 H new ATOM 0 HA ILE A 91 4.524 4.895 -8.975 1.00 23.12 H new ATOM 0 HB ILE A 91 3.093 2.752 -7.326 1.00 45.22 H new ATOM 0 HG12 ILE A 91 4.384 5.358 -6.429 1.00 53.24 H new ATOM 0 HG13 ILE A 91 2.661 5.046 -6.492 1.00 53.24 H new ATOM 0 HG21 ILE A 91 5.290 2.413 -6.248 1.00 15.31 H new ATOM 0 HG22 ILE A 91 5.348 2.068 -7.993 1.00 15.31 H new ATOM 0 HG23 ILE A 91 6.014 3.595 -7.364 1.00 15.31 H new ATOM 0 HD11 ILE A 91 3.508 4.825 -4.204 1.00 42.31 H new ATOM 0 HD12 ILE A 91 2.908 3.259 -4.800 1.00 42.31 H new ATOM 0 HD13 ILE A 91 4.659 3.576 -4.736 1.00 42.31 H new ATOM 1452 N ALA A 92 5.106 2.862 -10.396 1.00 35.21 N ATOM 1453 CA ALA A 92 5.383 1.803 -11.367 1.00 65.22 C ATOM 1454 C ALA A 92 5.547 0.433 -10.680 1.00 1.23 C ATOM 1455 O ALA A 92 6.641 0.069 -10.241 1.00 70.53 O ATOM 1456 CB ALA A 92 6.629 2.148 -12.178 1.00 61.31 C ATOM 0 H ALA A 92 5.913 3.439 -10.159 1.00 35.21 H new ATOM 0 HA ALA A 92 4.529 1.732 -12.040 1.00 65.22 H new ATOM 0 HB1 ALA A 92 6.826 1.353 -12.898 1.00 61.31 H new ATOM 0 HB2 ALA A 92 6.469 3.087 -12.709 1.00 61.31 H new ATOM 0 HB3 ALA A 92 7.482 2.251 -11.508 1.00 61.31 H new ATOM 1462 N LEU A 93 4.449 -0.321 -10.591 1.00 60.14 N ATOM 1463 CA LEU A 93 4.461 -1.661 -9.979 1.00 64.33 C ATOM 1464 C LEU A 93 5.502 -2.582 -10.633 1.00 24.42 C ATOM 1465 O LEU A 93 6.090 -3.434 -9.973 1.00 33.32 O ATOM 1466 CB LEU A 93 3.070 -2.307 -10.072 1.00 63.21 C ATOM 1467 CG LEU A 93 1.972 -1.648 -9.220 1.00 4.33 C ATOM 1468 CD1 LEU A 93 0.624 -2.320 -9.465 1.00 14.11 C ATOM 1469 CD2 LEU A 93 2.341 -1.700 -7.737 1.00 61.42 C ATOM 0 H LEU A 93 3.534 -0.029 -10.935 1.00 60.14 H new ATOM 0 HA LEU A 93 4.735 -1.533 -8.932 1.00 64.33 H new ATOM 0 HB2 LEU A 93 2.752 -2.294 -11.115 1.00 63.21 H new ATOM 0 HB3 LEU A 93 3.155 -3.353 -9.777 1.00 63.21 H new ATOM 0 HG LEU A 93 1.889 -0.602 -9.516 1.00 4.33 H new ATOM 0 HD11 LEU A 93 -0.139 -1.839 -8.853 1.00 14.11 H new ATOM 0 HD12 LEU A 93 0.357 -2.227 -10.518 1.00 14.11 H new ATOM 0 HD13 LEU A 93 0.690 -3.375 -9.200 1.00 14.11 H new ATOM 0 HD21 LEU A 93 1.553 -1.229 -7.149 1.00 61.42 H new ATOM 0 HD22 LEU A 93 2.454 -2.739 -7.426 1.00 61.42 H new ATOM 0 HD23 LEU A 93 3.279 -1.169 -7.577 1.00 61.42 H new ATOM 1481 N ARG A 94 5.735 -2.392 -11.927 1.00 45.42 N ATOM 1482 CA ARG A 94 6.679 -3.229 -12.677 1.00 55.20 C ATOM 1483 C ARG A 94 8.081 -3.258 -12.034 1.00 3.44 C ATOM 1484 O ARG A 94 8.773 -4.278 -12.089 1.00 34.25 O ATOM 1485 CB ARG A 94 6.776 -2.751 -14.131 1.00 30.33 C ATOM 1486 CG ARG A 94 5.476 -2.897 -14.918 1.00 74.41 C ATOM 1487 CD ARG A 94 5.639 -2.461 -16.371 1.00 70.33 C ATOM 1488 NE ARG A 94 6.736 -3.169 -17.030 1.00 71.13 N ATOM 1489 CZ ARG A 94 6.617 -3.860 -18.127 1.00 54.21 C ATOM 1490 NH1 ARG A 94 5.472 -3.982 -18.718 1.00 1.02 N ATOM 1491 NH2 ARG A 94 7.651 -4.449 -18.628 1.00 70.03 N ATOM 0 H ARG A 94 5.285 -1.666 -12.484 1.00 45.42 H new ATOM 0 HA ARG A 94 6.291 -4.247 -12.653 1.00 55.20 H new ATOM 0 HB2 ARG A 94 7.079 -1.704 -14.140 1.00 30.33 H new ATOM 0 HB3 ARG A 94 7.561 -3.314 -14.637 1.00 30.33 H new ATOM 0 HG2 ARG A 94 5.146 -3.935 -14.885 1.00 74.41 H new ATOM 0 HG3 ARG A 94 4.696 -2.300 -14.445 1.00 74.41 H new ATOM 0 HD2 ARG A 94 4.711 -2.645 -16.912 1.00 70.33 H new ATOM 0 HD3 ARG A 94 5.824 -1.387 -16.410 1.00 70.33 H new ATOM 0 HE ARG A 94 7.659 -3.118 -16.600 1.00 71.13 H new ATOM 0 HH11 ARG A 94 4.645 -3.533 -18.325 1.00 1.02 H new ATOM 0 HH12 ARG A 94 5.397 -4.527 -19.577 1.00 1.02 H new ATOM 0 HH21 ARG A 94 8.556 -4.372 -18.165 1.00 70.03 H new ATOM 0 HH22 ARG A 94 7.562 -4.991 -19.487 1.00 70.03 H new ATOM 1505 N LYS A 95 8.494 -2.146 -11.419 1.00 34.34 N ATOM 1506 CA LYS A 95 9.816 -2.065 -10.773 1.00 11.30 C ATOM 1507 C LYS A 95 9.718 -2.003 -9.233 1.00 34.41 C ATOM 1508 O LYS A 95 10.732 -2.112 -8.541 1.00 31.42 O ATOM 1509 CB LYS A 95 10.601 -0.848 -11.295 1.00 34.44 C ATOM 1510 CG LYS A 95 9.939 0.498 -11.001 1.00 34.22 C ATOM 1511 CD LYS A 95 10.907 1.667 -11.196 1.00 23.43 C ATOM 1512 CE LYS A 95 11.266 1.901 -12.660 1.00 32.25 C ATOM 1513 NZ LYS A 95 10.136 2.483 -13.430 1.00 44.44 N ATOM 0 H LYS A 95 7.939 -1.292 -11.353 1.00 34.34 H new ATOM 0 HA LYS A 95 10.348 -2.980 -11.032 1.00 11.30 H new ATOM 0 HB2 LYS A 95 11.597 -0.855 -10.852 1.00 34.44 H new ATOM 0 HB3 LYS A 95 10.731 -0.949 -12.373 1.00 34.44 H new ATOM 0 HG2 LYS A 95 9.077 0.628 -11.655 1.00 34.22 H new ATOM 0 HG3 LYS A 95 9.566 0.503 -9.977 1.00 34.22 H new ATOM 0 HD2 LYS A 95 10.461 2.574 -10.787 1.00 23.43 H new ATOM 0 HD3 LYS A 95 11.818 1.476 -10.629 1.00 23.43 H new ATOM 0 HE2 LYS A 95 12.126 2.569 -12.719 1.00 32.25 H new ATOM 0 HE3 LYS A 95 11.564 0.956 -13.114 1.00 32.25 H new ATOM 0 HZ1 LYS A 95 10.437 2.656 -14.410 1.00 44.44 H new ATOM 0 HZ2 LYS A 95 9.335 1.820 -13.425 1.00 44.44 H new ATOM 0 HZ3 LYS A 95 9.845 3.381 -12.994 1.00 44.44 H new ATOM 1527 N TYR A 96 8.507 -1.820 -8.694 1.00 71.43 N ATOM 1528 CA TYR A 96 8.321 -1.731 -7.230 1.00 14.03 C ATOM 1529 C TYR A 96 7.412 -2.835 -6.663 1.00 54.34 C ATOM 1530 O TYR A 96 7.016 -2.766 -5.503 1.00 34.42 O ATOM 1531 CB TYR A 96 7.748 -0.360 -6.839 1.00 32.43 C ATOM 1532 CG TYR A 96 8.742 0.778 -6.962 1.00 4.04 C ATOM 1533 CD1 TYR A 96 9.751 0.951 -6.019 1.00 5.33 C ATOM 1534 CD2 TYR A 96 8.670 1.678 -8.015 1.00 24.32 C ATOM 1535 CE1 TYR A 96 10.657 1.989 -6.125 1.00 12.01 C ATOM 1536 CE2 TYR A 96 9.573 2.714 -8.128 1.00 12.53 C ATOM 1537 CZ TYR A 96 10.564 2.868 -7.183 1.00 24.14 C ATOM 1538 OH TYR A 96 11.465 3.905 -7.296 1.00 30.44 O ATOM 0 H TYR A 96 7.648 -1.731 -9.236 1.00 71.43 H new ATOM 0 HA TYR A 96 9.312 -1.866 -6.796 1.00 14.03 H new ATOM 0 HB2 TYR A 96 6.884 -0.145 -7.468 1.00 32.43 H new ATOM 0 HB3 TYR A 96 7.389 -0.407 -5.811 1.00 32.43 H new ATOM 0 HD1 TYR A 96 9.827 0.262 -5.190 1.00 5.33 H new ATOM 0 HD2 TYR A 96 7.894 1.566 -8.758 1.00 24.32 H new ATOM 0 HE1 TYR A 96 11.433 2.111 -5.384 1.00 12.01 H new ATOM 0 HE2 TYR A 96 9.504 3.404 -8.956 1.00 12.53 H new ATOM 0 HH TYR A 96 11.596 4.123 -8.242 1.00 30.44 H new ATOM 1548 N LYS A 97 7.088 -3.848 -7.461 1.00 32.45 N ATOM 1549 CA LYS A 97 6.240 -4.949 -6.984 1.00 70.22 C ATOM 1550 C LYS A 97 6.917 -5.736 -5.844 1.00 22.54 C ATOM 1551 O LYS A 97 8.094 -6.093 -5.931 1.00 21.53 O ATOM 1552 CB LYS A 97 5.877 -5.896 -8.135 1.00 31.13 C ATOM 1553 CG LYS A 97 7.079 -6.536 -8.823 1.00 63.32 C ATOM 1554 CD LYS A 97 6.647 -7.562 -9.868 1.00 31.31 C ATOM 1555 CE LYS A 97 5.788 -6.936 -10.963 1.00 1.12 C ATOM 1556 NZ LYS A 97 5.230 -7.961 -11.882 1.00 31.10 N ATOM 0 H LYS A 97 7.393 -3.935 -8.431 1.00 32.45 H new ATOM 0 HA LYS A 97 5.326 -4.505 -6.590 1.00 70.22 H new ATOM 0 HB2 LYS A 97 5.230 -6.685 -7.751 1.00 31.13 H new ATOM 0 HB3 LYS A 97 5.300 -5.344 -8.877 1.00 31.13 H new ATOM 0 HG2 LYS A 97 7.681 -5.762 -9.299 1.00 63.32 H new ATOM 0 HG3 LYS A 97 7.711 -7.019 -8.078 1.00 63.32 H new ATOM 0 HD2 LYS A 97 7.530 -8.017 -10.316 1.00 31.31 H new ATOM 0 HD3 LYS A 97 6.088 -8.362 -9.382 1.00 31.31 H new ATOM 0 HE2 LYS A 97 4.973 -6.374 -10.508 1.00 1.12 H new ATOM 0 HE3 LYS A 97 6.387 -6.225 -11.532 1.00 1.12 H new ATOM 0 HZ1 LYS A 97 4.653 -7.496 -12.611 1.00 31.10 H new ATOM 0 HZ2 LYS A 97 6.008 -8.481 -12.336 1.00 31.10 H new ATOM 0 HZ3 LYS A 97 4.638 -8.625 -11.343 1.00 31.10 H new ATOM 1570 N TRP A 98 6.168 -5.999 -4.777 1.00 54.21 N ATOM 1571 CA TRP A 98 6.696 -6.731 -3.626 1.00 0.24 C ATOM 1572 C TRP A 98 7.028 -8.188 -3.985 1.00 52.13 C ATOM 1573 O TRP A 98 6.148 -8.972 -4.356 1.00 14.53 O ATOM 1574 CB TRP A 98 5.702 -6.681 -2.453 1.00 13.34 C ATOM 1575 CG TRP A 98 6.205 -7.351 -1.205 1.00 25.11 C ATOM 1576 CD1 TRP A 98 7.493 -7.390 -0.752 1.00 21.32 C ATOM 1577 CD2 TRP A 98 5.421 -8.063 -0.239 1.00 0.50 C ATOM 1578 NE1 TRP A 98 7.560 -8.090 0.426 1.00 45.44 N ATOM 1579 CE2 TRP A 98 6.301 -8.511 0.764 1.00 71.03 C ATOM 1580 CE3 TRP A 98 4.060 -8.368 -0.127 1.00 44.02 C ATOM 1581 CZ2 TRP A 98 5.864 -9.244 1.866 1.00 75.22 C ATOM 1582 CZ3 TRP A 98 3.628 -9.095 0.967 1.00 2.12 C ATOM 1583 CH2 TRP A 98 4.527 -9.526 1.952 1.00 65.53 C ATOM 0 H TRP A 98 5.192 -5.717 -4.684 1.00 54.21 H new ATOM 0 HA TRP A 98 7.623 -6.244 -3.324 1.00 0.24 H new ATOM 0 HB2 TRP A 98 5.472 -5.640 -2.228 1.00 13.34 H new ATOM 0 HB3 TRP A 98 4.769 -7.155 -2.758 1.00 13.34 H new ATOM 0 HD1 TRP A 98 8.337 -6.935 -1.249 1.00 21.32 H new ATOM 0 HE1 TRP A 98 8.409 -8.268 0.963 1.00 45.44 H new ATOM 0 HE3 TRP A 98 3.360 -8.041 -0.881 1.00 44.02 H new ATOM 0 HZ2 TRP A 98 6.556 -9.578 2.625 1.00 75.22 H new ATOM 0 HZ3 TRP A 98 2.579 -9.335 1.064 1.00 2.12 H new ATOM 0 HH2 TRP A 98 4.158 -10.091 2.795 1.00 65.53 H new ATOM 1594 N GLN A 99 8.309 -8.536 -3.875 1.00 21.44 N ATOM 1595 CA GLN A 99 8.790 -9.889 -4.168 1.00 24.54 C ATOM 1596 C GLN A 99 9.231 -10.614 -2.877 1.00 44.11 C ATOM 1597 O GLN A 99 10.372 -10.475 -2.431 1.00 51.50 O ATOM 1598 CB GLN A 99 9.947 -9.810 -5.179 1.00 62.25 C ATOM 1599 CG GLN A 99 10.604 -11.148 -5.499 1.00 52.04 C ATOM 1600 CD GLN A 99 11.655 -11.027 -6.591 1.00 24.14 C ATOM 1601 OE1 GLN A 99 12.825 -10.761 -6.323 1.00 41.42 O ATOM 1602 NE2 GLN A 99 11.252 -11.218 -7.831 1.00 44.52 N ATOM 0 H GLN A 99 9.043 -7.891 -3.581 1.00 21.44 H new ATOM 0 HA GLN A 99 7.976 -10.469 -4.602 1.00 24.54 H new ATOM 0 HB2 GLN A 99 9.573 -9.373 -6.105 1.00 62.25 H new ATOM 0 HB3 GLN A 99 10.706 -9.131 -4.790 1.00 62.25 H new ATOM 0 HG2 GLN A 99 11.065 -11.549 -4.596 1.00 52.04 H new ATOM 0 HG3 GLN A 99 9.840 -11.860 -5.810 1.00 52.04 H new ATOM 0 HE21 GLN A 99 10.274 -11.437 -8.021 1.00 44.52 H new ATOM 0 HE22 GLN A 99 11.918 -11.146 -8.600 1.00 44.52 H new ATOM 1611 N PRO A 100 8.311 -11.364 -2.232 1.00 65.45 N ATOM 1612 CA PRO A 100 8.617 -12.125 -1.009 1.00 74.43 C ATOM 1613 C PRO A 100 9.473 -13.380 -1.276 1.00 11.03 C ATOM 1614 O PRO A 100 10.490 -13.604 -0.611 1.00 31.23 O ATOM 1615 CB PRO A 100 7.227 -12.525 -0.462 1.00 70.51 C ATOM 1616 CG PRO A 100 6.234 -11.757 -1.281 1.00 2.54 C ATOM 1617 CD PRO A 100 6.897 -11.504 -2.607 1.00 24.23 C ATOM 0 HA PRO A 100 9.208 -11.530 -0.313 1.00 74.43 H new ATOM 0 HB2 PRO A 100 7.064 -13.599 -0.554 1.00 70.51 H new ATOM 0 HB3 PRO A 100 7.137 -12.278 0.596 1.00 70.51 H new ATOM 0 HG2 PRO A 100 5.312 -12.324 -1.408 1.00 2.54 H new ATOM 0 HG3 PRO A 100 5.968 -10.820 -0.793 1.00 2.54 H new ATOM 0 HD2 PRO A 100 6.741 -12.328 -3.303 1.00 24.23 H new ATOM 0 HD3 PRO A 100 6.513 -10.604 -3.088 1.00 24.23 H new