USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 847 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 61 GLN : amide:sc= 0.418 K(o=0.88,f=-1.4) USER MOD Set 1.2: A 63 LYS NZ :NH3+ 178:sc= 0.457 (180deg=0) USER MOD Set 2.1: A 23 TYR OH : rot 76:sc= 0.698 USER MOD Set 2.2: A 65 SER OG : rot 136:sc= 1.44 USER MOD Single : A 1 MET CE :methyl 160:sc= -0.0948 (180deg=-0.197) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 GLN :FLIP amide:sc= -0.386 F(o=-1.4,f=-0.39) USER MOD Single : A 7 GLN : amide:sc= -0.246 X(o=-0.25,f=-0.12) USER MOD Single : A 13 HIS :FLIP no HD1:sc= -0.26 F(o=-0.99,f=-0.26) USER MOD Single : A 14 GLN : amide:sc= -0.703 X(o=-0.7,f=-0.78) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -1.28 (180deg=-2.21!) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc= -0.0214 (180deg=-0.227) USER MOD Single : A 21 SER OG : rot -170:sc= -0.207 USER MOD Single : A 22 THR OG1 : rot -76:sc= -0.83 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0581) USER MOD Single : A 29 MET CE :methyl -143:sc= 0 (180deg=-0.0278) 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 : no HD1:sc= -0.602 X(o=-0.6,f=-0.1) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.0858 K(o=-0.086,f=-3.1!) USER MOD Single : A 50 SER OG : rot 180:sc= -0.157 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= -0.0276 (180deg=-0.231) USER MOD Single : A 59 ASN : amide:sc= -1.09 K(o=-1.1,f=-7.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 GLN : amide:sc= -1.25! C(o=-1.3!,f=-4.4!) USER MOD Single : A 75 LYS NZ :NH3+ -162:sc= 1.06 (180deg=0.502) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 1.11 (180deg=1.01) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -168:sc= -0.018 (180deg=-0.197) USER MOD Single : A 95 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.142) USER MOD Single : A 96 TYR OH : rot 165:sc= 0.492 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 GLN : amide:sc= 0.721 K(o=0.72,f=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.217 -1.830 12.634 1.00 22.41 N ATOM 2 CA MET A 1 -15.990 -2.179 11.869 1.00 4.53 C ATOM 3 C MET A 1 -16.228 -3.403 10.972 1.00 63.22 C ATOM 4 O MET A 1 -16.460 -4.509 11.462 1.00 63.12 O ATOM 5 CB MET A 1 -14.826 -2.449 12.835 1.00 3.32 C ATOM 6 CG MET A 1 -13.512 -2.792 12.141 1.00 24.15 C ATOM 7 SD MET A 1 -12.926 -1.460 11.074 1.00 50.13 S ATOM 8 CE MET A 1 -11.337 -2.111 10.557 1.00 65.24 C ATOM 0 H1 MET A 1 -17.029 -1.000 13.232 1.00 22.41 H new ATOM 0 H2 MET A 1 -17.989 -1.612 11.972 1.00 22.41 H new ATOM 0 H3 MET A 1 -17.492 -2.634 13.234 1.00 22.41 H new ATOM 0 HA MET A 1 -15.736 -1.334 11.229 1.00 4.53 H new ATOM 0 HB2 MET A 1 -14.676 -1.570 13.461 1.00 3.32 H new ATOM 0 HB3 MET A 1 -15.100 -3.270 13.498 1.00 3.32 H new ATOM 0 HG2 MET A 1 -12.754 -3.011 12.893 1.00 24.15 H new ATOM 0 HG3 MET A 1 -13.643 -3.697 11.548 1.00 24.15 H new ATOM 0 HE1 MET A 1 -11.014 -1.603 9.648 1.00 65.24 H new ATOM 0 HE2 MET A 1 -10.602 -1.946 11.345 1.00 65.24 H new ATOM 0 HE3 MET A 1 -11.427 -3.180 10.363 1.00 65.24 H new ATOM 20 N ASP A 2 -16.159 -3.197 9.659 1.00 14.22 N ATOM 21 CA ASP A 2 -16.413 -4.270 8.689 1.00 63.53 C ATOM 22 C ASP A 2 -15.278 -5.310 8.673 1.00 31.30 C ATOM 23 O ASP A 2 -14.100 -4.954 8.594 1.00 14.40 O ATOM 24 CB ASP A 2 -16.587 -3.675 7.289 1.00 1.22 C ATOM 25 CG ASP A 2 -17.670 -2.614 7.252 1.00 41.21 C ATOM 26 OD1 ASP A 2 -18.861 -2.979 7.316 1.00 35.31 O ATOM 27 OD2 ASP A 2 -17.337 -1.409 7.185 1.00 23.44 O ATOM 0 H ASP A 2 -15.929 -2.297 9.238 1.00 14.22 H new ATOM 0 HA ASP A 2 -17.328 -4.779 8.992 1.00 63.53 H new ATOM 0 HB2 ASP A 2 -15.643 -3.241 6.960 1.00 1.22 H new ATOM 0 HB3 ASP A 2 -16.834 -4.470 6.586 1.00 1.22 H new ATOM 32 N GLN A 3 -15.637 -6.595 8.735 1.00 41.14 N ATOM 33 CA GLN A 3 -14.646 -7.677 8.650 1.00 60.44 C ATOM 34 C GLN A 3 -13.882 -7.631 7.323 1.00 43.33 C ATOM 35 O GLN A 3 -12.738 -8.070 7.245 1.00 64.03 O ATOM 36 CB GLN A 3 -15.312 -9.050 8.835 1.00 44.25 C ATOM 37 CG GLN A 3 -15.800 -9.310 10.255 1.00 10.24 C ATOM 38 CD GLN A 3 -14.676 -9.235 11.274 1.00 24.43 C ATOM 39 OE1 GLN A 3 -14.432 -8.053 11.797 1.00 53.32 O flip ATOM 40 NE2 GLN A 3 -14.025 -10.227 11.583 1.00 31.23 N flip ATOM 0 H GLN A 3 -16.600 -6.913 8.843 1.00 41.14 H new ATOM 0 HA GLN A 3 -13.930 -7.528 9.459 1.00 60.44 H new ATOM 0 HB2 GLN A 3 -16.156 -9.129 8.150 1.00 44.25 H new ATOM 0 HB3 GLN A 3 -14.602 -9.829 8.556 1.00 44.25 H new ATOM 0 HG2 GLN A 3 -16.569 -8.581 10.512 1.00 10.24 H new ATOM 0 HG3 GLN A 3 -16.265 -10.295 10.302 1.00 10.24 H new ATOM 0 HE21 GLN A 3 -14.239 -11.130 11.159 1.00 31.23 H new ATOM 0 HE22 GLN A 3 -13.269 -10.149 12.264 1.00 31.23 H new ATOM 49 N PHE A 4 -14.519 -7.096 6.283 1.00 72.22 N ATOM 50 CA PHE A 4 -13.838 -6.841 5.010 1.00 54.23 C ATOM 51 C PHE A 4 -12.561 -6.021 5.246 1.00 52.42 C ATOM 52 O PHE A 4 -11.479 -6.372 4.771 1.00 54.51 O ATOM 53 CB PHE A 4 -14.778 -6.092 4.049 1.00 4.03 C ATOM 54 CG PHE A 4 -14.085 -5.527 2.830 1.00 53.13 C ATOM 55 CD1 PHE A 4 -13.687 -6.356 1.792 1.00 14.32 C ATOM 56 CD2 PHE A 4 -13.831 -4.164 2.725 1.00 62.22 C ATOM 57 CE1 PHE A 4 -13.053 -5.840 0.677 1.00 13.21 C ATOM 58 CE2 PHE A 4 -13.197 -3.645 1.612 1.00 71.10 C ATOM 59 CZ PHE A 4 -12.808 -4.485 0.587 1.00 53.52 C ATOM 0 H PHE A 4 -15.504 -6.830 6.294 1.00 72.22 H new ATOM 0 HA PHE A 4 -13.563 -7.796 4.562 1.00 54.23 H new ATOM 0 HB2 PHE A 4 -15.566 -6.771 3.724 1.00 4.03 H new ATOM 0 HB3 PHE A 4 -15.261 -5.278 4.590 1.00 4.03 H new ATOM 0 HD1 PHE A 4 -13.875 -7.418 1.855 1.00 14.32 H new ATOM 0 HD2 PHE A 4 -14.133 -3.502 3.523 1.00 62.22 H new ATOM 0 HE1 PHE A 4 -12.749 -6.498 -0.124 1.00 13.21 H new ATOM 0 HE2 PHE A 4 -13.006 -2.584 1.544 1.00 71.10 H new ATOM 0 HZ PHE A 4 -12.313 -4.082 -0.284 1.00 53.52 H new ATOM 69 N LEU A 5 -12.708 -4.938 6.006 1.00 13.32 N ATOM 70 CA LEU A 5 -11.586 -4.059 6.346 1.00 51.10 C ATOM 71 C LEU A 5 -10.574 -4.780 7.246 1.00 4.21 C ATOM 72 O LEU A 5 -9.373 -4.751 6.991 1.00 12.05 O ATOM 73 CB LEU A 5 -12.109 -2.796 7.043 1.00 44.24 C ATOM 74 CG LEU A 5 -13.162 -2.008 6.247 1.00 31.33 C ATOM 75 CD1 LEU A 5 -13.680 -0.833 7.059 1.00 50.23 C ATOM 76 CD2 LEU A 5 -12.593 -1.533 4.914 1.00 32.41 C ATOM 0 H LEU A 5 -13.601 -4.644 6.402 1.00 13.32 H new ATOM 0 HA LEU A 5 -11.077 -3.778 5.424 1.00 51.10 H new ATOM 0 HB2 LEU A 5 -12.538 -3.080 8.004 1.00 44.24 H new ATOM 0 HB3 LEU A 5 -11.265 -2.138 7.253 1.00 44.24 H new ATOM 0 HG LEU A 5 -13.998 -2.675 6.039 1.00 31.33 H new ATOM 0 HD11 LEU A 5 -14.424 -0.289 6.477 1.00 50.23 H new ATOM 0 HD12 LEU A 5 -14.135 -1.199 7.979 1.00 50.23 H new ATOM 0 HD13 LEU A 5 -12.853 -0.167 7.304 1.00 50.23 H new ATOM 0 HD21 LEU A 5 -13.357 -0.978 4.369 1.00 32.41 H new ATOM 0 HD22 LEU A 5 -11.734 -0.886 5.095 1.00 32.41 H new ATOM 0 HD23 LEU A 5 -12.281 -2.395 4.324 1.00 32.41 H new ATOM 88 N VAL A 6 -11.076 -5.442 8.287 1.00 62.41 N ATOM 89 CA VAL A 6 -10.220 -6.182 9.223 1.00 43.41 C ATOM 90 C VAL A 6 -9.337 -7.209 8.492 1.00 55.45 C ATOM 91 O VAL A 6 -8.140 -7.316 8.758 1.00 52.43 O ATOM 92 CB VAL A 6 -11.069 -6.911 10.300 1.00 71.45 C ATOM 93 CG1 VAL A 6 -10.178 -7.670 11.284 1.00 61.22 C ATOM 94 CG2 VAL A 6 -11.971 -5.922 11.037 1.00 51.53 C ATOM 0 H VAL A 6 -12.071 -5.483 8.507 1.00 62.41 H new ATOM 0 HA VAL A 6 -9.576 -5.449 9.708 1.00 43.41 H new ATOM 0 HB VAL A 6 -11.702 -7.639 9.792 1.00 71.45 H new ATOM 0 HG11 VAL A 6 -10.800 -8.170 12.026 1.00 61.22 H new ATOM 0 HG12 VAL A 6 -9.589 -8.412 10.744 1.00 61.22 H new ATOM 0 HG13 VAL A 6 -9.509 -6.970 11.784 1.00 61.22 H new ATOM 0 HG21 VAL A 6 -12.557 -6.453 11.787 1.00 51.53 H new ATOM 0 HG22 VAL A 6 -11.358 -5.165 11.525 1.00 51.53 H new ATOM 0 HG23 VAL A 6 -12.642 -5.442 10.325 1.00 51.53 H new ATOM 104 N GLN A 7 -9.937 -7.951 7.564 1.00 75.24 N ATOM 105 CA GLN A 7 -9.222 -8.988 6.814 1.00 11.53 C ATOM 106 C GLN A 7 -8.144 -8.398 5.890 1.00 21.33 C ATOM 107 O GLN A 7 -6.986 -8.817 5.938 1.00 35.34 O ATOM 108 CB GLN A 7 -10.215 -9.835 6.001 1.00 71.24 C ATOM 109 CG GLN A 7 -11.186 -10.647 6.855 1.00 12.11 C ATOM 110 CD GLN A 7 -10.483 -11.654 7.748 1.00 33.43 C ATOM 111 OE1 GLN A 7 -10.232 -12.787 7.349 1.00 61.45 O ATOM 112 NE2 GLN A 7 -10.157 -11.254 8.961 1.00 64.13 N ATOM 0 H GLN A 7 -10.920 -7.855 7.311 1.00 75.24 H new ATOM 0 HA GLN A 7 -8.714 -9.623 7.540 1.00 11.53 H new ATOM 0 HB2 GLN A 7 -10.786 -9.177 5.346 1.00 71.24 H new ATOM 0 HB3 GLN A 7 -9.655 -10.516 5.359 1.00 71.24 H new ATOM 0 HG2 GLN A 7 -11.774 -9.969 7.473 1.00 12.11 H new ATOM 0 HG3 GLN A 7 -11.885 -11.172 6.203 1.00 12.11 H new ATOM 0 HE21 GLN A 7 -10.380 -10.305 9.262 1.00 64.13 H new ATOM 0 HE22 GLN A 7 -9.682 -11.893 9.598 1.00 64.13 H new ATOM 121 N ILE A 8 -8.515 -7.426 5.049 1.00 54.34 N ATOM 122 CA ILE A 8 -7.549 -6.817 4.122 1.00 4.02 C ATOM 123 C ILE A 8 -6.387 -6.146 4.879 1.00 22.30 C ATOM 124 O ILE A 8 -5.225 -6.280 4.493 1.00 2.51 O ATOM 125 CB ILE A 8 -8.216 -5.794 3.157 1.00 14.31 C ATOM 126 CG1 ILE A 8 -8.877 -4.645 3.937 1.00 45.31 C ATOM 127 CG2 ILE A 8 -9.235 -6.494 2.256 1.00 20.10 C ATOM 128 CD1 ILE A 8 -9.525 -3.592 3.061 1.00 43.51 C ATOM 0 H ILE A 8 -9.460 -7.048 4.989 1.00 54.34 H new ATOM 0 HA ILE A 8 -7.151 -7.633 3.519 1.00 4.02 H new ATOM 0 HB ILE A 8 -7.436 -5.364 2.528 1.00 14.31 H new ATOM 0 HG12 ILE A 8 -9.632 -5.061 4.605 1.00 45.31 H new ATOM 0 HG13 ILE A 8 -8.125 -4.167 4.565 1.00 45.31 H new ATOM 0 HG21 ILE A 8 -9.692 -5.764 1.588 1.00 20.10 H new ATOM 0 HG22 ILE A 8 -8.733 -7.261 1.667 1.00 20.10 H new ATOM 0 HG23 ILE A 8 -10.007 -6.956 2.871 1.00 20.10 H new ATOM 0 HD11 ILE A 8 -9.967 -2.818 3.689 1.00 43.51 H new ATOM 0 HD12 ILE A 8 -8.772 -3.146 2.411 1.00 43.51 H new ATOM 0 HD13 ILE A 8 -10.302 -4.053 2.452 1.00 43.51 H new ATOM 140 N PHE A 9 -6.702 -5.449 5.972 1.00 44.25 N ATOM 141 CA PHE A 9 -5.671 -4.837 6.819 1.00 51.41 C ATOM 142 C PHE A 9 -4.745 -5.913 7.412 1.00 1.04 C ATOM 143 O PHE A 9 -3.516 -5.785 7.380 1.00 61.40 O ATOM 144 CB PHE A 9 -6.315 -4.020 7.952 1.00 62.44 C ATOM 145 CG PHE A 9 -7.162 -2.853 7.491 1.00 74.42 C ATOM 146 CD1 PHE A 9 -7.129 -2.413 6.173 1.00 11.23 C ATOM 147 CD2 PHE A 9 -7.992 -2.190 8.388 1.00 35.53 C ATOM 148 CE1 PHE A 9 -7.902 -1.343 5.764 1.00 12.00 C ATOM 149 CE2 PHE A 9 -8.766 -1.121 7.980 1.00 23.42 C ATOM 150 CZ PHE A 9 -8.720 -0.697 6.667 1.00 43.21 C ATOM 0 H PHE A 9 -7.658 -5.293 6.292 1.00 44.25 H new ATOM 0 HA PHE A 9 -5.077 -4.168 6.196 1.00 51.41 H new ATOM 0 HB2 PHE A 9 -6.934 -4.685 8.554 1.00 62.44 H new ATOM 0 HB3 PHE A 9 -5.526 -3.643 8.603 1.00 62.44 H new ATOM 0 HD1 PHE A 9 -6.491 -2.914 5.460 1.00 11.23 H new ATOM 0 HD2 PHE A 9 -8.032 -2.515 9.417 1.00 35.53 H new ATOM 0 HE1 PHE A 9 -7.865 -1.012 4.736 1.00 12.00 H new ATOM 0 HE2 PHE A 9 -9.407 -0.617 8.688 1.00 23.42 H new ATOM 0 HZ PHE A 9 -9.324 0.139 6.347 1.00 43.21 H new ATOM 160 N ALA A 10 -5.347 -6.979 7.940 1.00 11.22 N ATOM 161 CA ALA A 10 -4.592 -8.101 8.501 1.00 4.12 C ATOM 162 C ALA A 10 -3.568 -8.645 7.498 1.00 72.23 C ATOM 163 O ALA A 10 -2.443 -8.982 7.872 1.00 62.11 O ATOM 164 CB ALA A 10 -5.545 -9.206 8.941 1.00 11.40 C ATOM 0 H ALA A 10 -6.360 -7.090 7.991 1.00 11.22 H new ATOM 0 HA ALA A 10 -4.043 -7.737 9.370 1.00 4.12 H new ATOM 0 HB1 ALA A 10 -4.973 -10.036 9.357 1.00 11.40 H new ATOM 0 HB2 ALA A 10 -6.226 -8.819 9.699 1.00 11.40 H new ATOM 0 HB3 ALA A 10 -6.119 -9.555 8.082 1.00 11.40 H new ATOM 170 N VAL A 11 -3.956 -8.713 6.221 1.00 2.03 N ATOM 171 CA VAL A 11 -3.056 -9.179 5.159 1.00 52.22 C ATOM 172 C VAL A 11 -1.868 -8.221 4.967 1.00 63.43 C ATOM 173 O VAL A 11 -0.723 -8.656 4.828 1.00 55.13 O ATOM 174 CB VAL A 11 -3.800 -9.344 3.810 1.00 71.45 C ATOM 175 CG1 VAL A 11 -2.841 -9.782 2.704 1.00 51.31 C ATOM 176 CG2 VAL A 11 -4.952 -10.336 3.950 1.00 74.53 C ATOM 0 H VAL A 11 -4.887 -8.452 5.896 1.00 2.03 H new ATOM 0 HA VAL A 11 -2.681 -10.152 5.477 1.00 52.22 H new ATOM 0 HB VAL A 11 -4.213 -8.374 3.531 1.00 71.45 H new ATOM 0 HG11 VAL A 11 -3.390 -9.890 1.768 1.00 51.31 H new ATOM 0 HG12 VAL A 11 -2.060 -9.032 2.582 1.00 51.31 H new ATOM 0 HG13 VAL A 11 -2.389 -10.737 2.972 1.00 51.31 H new ATOM 0 HG21 VAL A 11 -5.462 -10.438 2.992 1.00 74.53 H new ATOM 0 HG22 VAL A 11 -4.562 -11.306 4.259 1.00 74.53 H new ATOM 0 HG23 VAL A 11 -5.656 -9.973 4.699 1.00 74.53 H new ATOM 186 N ILE A 12 -2.148 -6.920 4.976 1.00 43.42 N ATOM 187 CA ILE A 12 -1.110 -5.892 4.817 1.00 74.31 C ATOM 188 C ILE A 12 -0.005 -6.026 5.883 1.00 54.55 C ATOM 189 O ILE A 12 1.169 -5.763 5.615 1.00 61.43 O ATOM 190 CB ILE A 12 -1.726 -4.473 4.895 1.00 63.22 C ATOM 191 CG1 ILE A 12 -2.825 -4.305 3.833 1.00 21.00 C ATOM 192 CG2 ILE A 12 -0.648 -3.401 4.731 1.00 21.24 C ATOM 193 CD1 ILE A 12 -3.630 -3.031 3.977 1.00 24.23 C ATOM 0 H ILE A 12 -3.090 -6.546 5.092 1.00 43.42 H new ATOM 0 HA ILE A 12 -0.663 -6.042 3.834 1.00 74.31 H new ATOM 0 HB ILE A 12 -2.176 -4.350 5.880 1.00 63.22 H new ATOM 0 HG12 ILE A 12 -2.366 -4.323 2.844 1.00 21.00 H new ATOM 0 HG13 ILE A 12 -3.501 -5.158 3.887 1.00 21.00 H new ATOM 0 HG21 ILE A 12 -1.105 -2.413 4.789 1.00 21.24 H new ATOM 0 HG22 ILE A 12 0.093 -3.505 5.524 1.00 21.24 H new ATOM 0 HG23 ILE A 12 -0.162 -3.519 3.763 1.00 21.24 H new ATOM 0 HD11 ILE A 12 -4.384 -2.986 3.191 1.00 24.23 H new ATOM 0 HD12 ILE A 12 -4.119 -3.018 4.951 1.00 24.23 H new ATOM 0 HD13 ILE A 12 -2.967 -2.170 3.892 1.00 24.23 H new ATOM 205 N HIS A 13 -0.383 -6.451 7.090 1.00 43.14 N ATOM 206 CA HIS A 13 0.586 -6.640 8.185 1.00 4.43 C ATOM 207 C HIS A 13 1.697 -7.664 7.847 1.00 40.24 C ATOM 208 O HIS A 13 2.733 -7.696 8.515 1.00 2.23 O ATOM 209 CB HIS A 13 -0.133 -7.056 9.477 1.00 43.22 C ATOM 210 CG HIS A 13 -0.878 -5.933 10.142 1.00 63.34 C ATOM 211 ND1 HIS A 13 -2.211 -5.699 10.217 1.00 70.13 N flip ATOM 212 CD2 HIS A 13 -0.211 -4.937 10.815 1.00 54.13 C flip ATOM 213 CE1 HIS A 13 -2.370 -4.547 10.946 1.00 74.23 C flip ATOM 214 NE2 HIS A 13 -1.144 -4.126 11.282 1.00 14.24 N flip ATOM 0 H HIS A 13 -1.347 -6.671 7.339 1.00 43.14 H new ATOM 0 HA HIS A 13 1.075 -5.676 8.329 1.00 4.43 H new ATOM 0 HB2 HIS A 13 -0.833 -7.860 9.250 1.00 43.22 H new ATOM 0 HB3 HIS A 13 0.600 -7.459 10.177 1.00 43.22 H new ATOM 0 HD2 HIS A 13 0.857 -4.838 10.937 1.00 54.13 H new ATOM 0 HE1 HIS A 13 -3.305 -4.071 11.200 1.00 74.23 H new ATOM 0 HE2 HIS A 13 -0.954 -3.286 11.829 1.00 14.24 H new ATOM 222 N GLN A 14 1.490 -8.494 6.819 1.00 14.00 N ATOM 223 CA GLN A 14 2.521 -9.464 6.395 1.00 23.43 C ATOM 224 C GLN A 14 3.604 -8.819 5.508 1.00 51.11 C ATOM 225 O GLN A 14 4.637 -9.438 5.240 1.00 12.33 O ATOM 226 CB GLN A 14 1.900 -10.664 5.650 1.00 61.41 C ATOM 227 CG GLN A 14 1.381 -11.776 6.554 1.00 12.41 C ATOM 228 CD GLN A 14 0.124 -11.409 7.322 1.00 30.52 C ATOM 229 OE1 GLN A 14 -0.073 -11.832 8.454 1.00 71.53 O ATOM 230 NE2 GLN A 14 -0.754 -10.658 6.701 1.00 62.32 N ATOM 0 H GLN A 14 0.632 -8.519 6.268 1.00 14.00 H new ATOM 0 HA GLN A 14 2.993 -9.817 7.312 1.00 23.43 H new ATOM 0 HB2 GLN A 14 1.078 -10.304 5.031 1.00 61.41 H new ATOM 0 HB3 GLN A 14 2.647 -11.082 4.976 1.00 61.41 H new ATOM 0 HG2 GLN A 14 1.180 -12.659 5.948 1.00 12.41 H new ATOM 0 HG3 GLN A 14 2.162 -12.048 7.264 1.00 12.41 H new ATOM 0 HE21 GLN A 14 -0.561 -10.321 5.758 1.00 62.32 H new ATOM 0 HE22 GLN A 14 -1.630 -10.411 7.161 1.00 62.32 H new ATOM 239 N ILE A 15 3.368 -7.592 5.044 1.00 32.24 N ATOM 240 CA ILE A 15 4.349 -6.882 4.208 1.00 74.43 C ATOM 241 C ILE A 15 5.523 -6.357 5.056 1.00 12.40 C ATOM 242 O ILE A 15 5.329 -5.504 5.928 1.00 21.23 O ATOM 243 CB ILE A 15 3.699 -5.695 3.446 1.00 22.12 C ATOM 244 CG1 ILE A 15 2.468 -6.170 2.658 1.00 54.34 C ATOM 245 CG2 ILE A 15 4.715 -5.044 2.508 1.00 20.31 C ATOM 246 CD1 ILE A 15 1.748 -5.060 1.918 1.00 52.01 C ATOM 0 H ILE A 15 2.513 -7.067 5.229 1.00 32.24 H new ATOM 0 HA ILE A 15 4.723 -7.603 3.481 1.00 74.43 H new ATOM 0 HB ILE A 15 3.375 -4.952 4.175 1.00 22.12 H new ATOM 0 HG12 ILE A 15 2.779 -6.930 1.941 1.00 54.34 H new ATOM 0 HG13 ILE A 15 1.770 -6.647 3.346 1.00 54.34 H new ATOM 0 HG21 ILE A 15 4.244 -4.214 1.981 1.00 20.31 H new ATOM 0 HG22 ILE A 15 5.560 -4.673 3.088 1.00 20.31 H new ATOM 0 HG23 ILE A 15 5.066 -5.780 1.785 1.00 20.31 H new ATOM 0 HD11 ILE A 15 0.891 -5.473 1.386 1.00 52.01 H new ATOM 0 HD12 ILE A 15 1.405 -4.310 2.631 1.00 52.01 H new ATOM 0 HD13 ILE A 15 2.429 -4.597 1.204 1.00 52.01 H new ATOM 258 N PRO A 16 6.755 -6.866 4.828 1.00 23.12 N ATOM 259 CA PRO A 16 7.948 -6.441 5.586 1.00 72.11 C ATOM 260 C PRO A 16 8.357 -4.981 5.320 1.00 31.41 C ATOM 261 O PRO A 16 7.863 -4.332 4.393 1.00 54.14 O ATOM 262 CB PRO A 16 9.054 -7.406 5.101 1.00 61.15 C ATOM 263 CG PRO A 16 8.334 -8.516 4.410 1.00 53.31 C ATOM 264 CD PRO A 16 7.090 -7.900 3.837 1.00 72.32 C ATOM 0 HA PRO A 16 7.762 -6.480 6.659 1.00 72.11 H new ATOM 0 HB2 PRO A 16 9.745 -6.904 4.424 1.00 61.15 H new ATOM 0 HB3 PRO A 16 9.644 -7.781 5.938 1.00 61.15 H new ATOM 0 HG2 PRO A 16 8.951 -8.954 3.625 1.00 53.31 H new ATOM 0 HG3 PRO A 16 8.089 -9.317 5.107 1.00 53.31 H new ATOM 0 HD2 PRO A 16 7.267 -7.473 2.850 1.00 72.32 H new ATOM 0 HD3 PRO A 16 6.289 -8.631 3.728 1.00 72.32 H new ATOM 272 N LYS A 17 9.283 -4.480 6.136 1.00 72.34 N ATOM 273 CA LYS A 17 9.759 -3.099 6.030 1.00 74.01 C ATOM 274 C LYS A 17 10.602 -2.906 4.760 1.00 51.13 C ATOM 275 O LYS A 17 11.666 -3.508 4.614 1.00 15.23 O ATOM 276 CB LYS A 17 10.579 -2.746 7.283 1.00 35.35 C ATOM 277 CG LYS A 17 10.871 -1.256 7.440 1.00 41.42 C ATOM 278 CD LYS A 17 11.587 -0.945 8.757 1.00 3.22 C ATOM 279 CE LYS A 17 13.103 -1.121 8.669 1.00 53.12 C ATOM 280 NZ LYS A 17 13.514 -2.481 8.220 1.00 73.12 N ATOM 0 H LYS A 17 9.723 -5.015 6.885 1.00 72.34 H new ATOM 0 HA LYS A 17 8.900 -2.432 5.962 1.00 74.01 H new ATOM 0 HB2 LYS A 17 10.042 -3.095 8.165 1.00 35.35 H new ATOM 0 HB3 LYS A 17 11.524 -3.289 7.250 1.00 35.35 H new ATOM 0 HG2 LYS A 17 11.485 -0.917 6.605 1.00 41.42 H new ATOM 0 HG3 LYS A 17 9.936 -0.697 7.395 1.00 41.42 H new ATOM 0 HD2 LYS A 17 11.362 0.080 9.053 1.00 3.22 H new ATOM 0 HD3 LYS A 17 11.196 -1.596 9.539 1.00 3.22 H new ATOM 0 HE2 LYS A 17 13.508 -0.381 7.979 1.00 53.12 H new ATOM 0 HE3 LYS A 17 13.542 -0.920 9.646 1.00 53.12 H new ATOM 0 HZ1 LYS A 17 14.512 -2.641 8.466 1.00 73.12 H new ATOM 0 HZ2 LYS A 17 12.922 -3.195 8.690 1.00 73.12 H new ATOM 0 HZ3 LYS A 17 13.395 -2.557 7.190 1.00 73.12 H new ATOM 294 N GLY A 18 10.119 -2.073 3.839 1.00 2.12 N ATOM 295 CA GLY A 18 10.835 -1.839 2.588 1.00 71.34 C ATOM 296 C GLY A 18 10.287 -2.646 1.406 1.00 60.50 C ATOM 297 O GLY A 18 10.981 -2.836 0.406 1.00 21.02 O ATOM 0 H GLY A 18 9.245 -1.555 3.934 1.00 2.12 H new ATOM 0 HA2 GLY A 18 10.788 -0.777 2.345 1.00 71.34 H new ATOM 0 HA3 GLY A 18 11.887 -2.087 2.730 1.00 71.34 H new ATOM 301 N LYS A 19 9.048 -3.129 1.520 1.00 11.41 N ATOM 302 CA LYS A 19 8.384 -3.853 0.424 1.00 51.34 C ATOM 303 C LYS A 19 7.009 -3.245 0.104 1.00 21.54 C ATOM 304 O LYS A 19 6.361 -2.657 0.973 1.00 45.11 O ATOM 305 CB LYS A 19 8.225 -5.342 0.777 1.00 30.22 C ATOM 306 CG LYS A 19 9.547 -6.090 0.935 1.00 73.01 C ATOM 307 CD LYS A 19 10.396 -6.013 -0.335 1.00 21.32 C ATOM 308 CE LYS A 19 11.694 -6.804 -0.204 1.00 11.30 C ATOM 309 NZ LYS A 19 12.504 -6.352 0.959 1.00 24.43 N ATOM 0 H LYS A 19 8.479 -3.033 2.361 1.00 11.41 H new ATOM 0 HA LYS A 19 9.015 -3.760 -0.460 1.00 51.34 H new ATOM 0 HB2 LYS A 19 7.659 -5.426 1.705 1.00 30.22 H new ATOM 0 HB3 LYS A 19 7.636 -5.828 -0.001 1.00 30.22 H new ATOM 0 HG2 LYS A 19 10.105 -5.670 1.772 1.00 73.01 H new ATOM 0 HG3 LYS A 19 9.348 -7.134 1.177 1.00 73.01 H new ATOM 0 HD2 LYS A 19 9.822 -6.396 -1.179 1.00 21.32 H new ATOM 0 HD3 LYS A 19 10.627 -4.971 -0.554 1.00 21.32 H new ATOM 0 HE2 LYS A 19 11.464 -7.864 -0.096 1.00 11.30 H new ATOM 0 HE3 LYS A 19 12.279 -6.696 -1.118 1.00 11.30 H new ATOM 0 HZ1 LYS A 19 13.452 -6.777 0.908 1.00 24.43 H new ATOM 0 HZ2 LYS A 19 12.588 -5.316 0.942 1.00 24.43 H new ATOM 0 HZ3 LYS A 19 12.039 -6.647 1.841 1.00 24.43 H new ATOM 323 N VAL A 20 6.569 -3.393 -1.147 1.00 55.44 N ATOM 324 CA VAL A 20 5.268 -2.872 -1.584 1.00 15.22 C ATOM 325 C VAL A 20 4.424 -3.956 -2.278 1.00 51.15 C ATOM 326 O VAL A 20 4.957 -4.884 -2.891 1.00 65.20 O ATOM 327 CB VAL A 20 5.423 -1.660 -2.546 1.00 43.01 C ATOM 328 CG1 VAL A 20 6.164 -0.506 -1.863 1.00 2.35 C ATOM 329 CG2 VAL A 20 6.132 -2.068 -3.839 1.00 73.52 C ATOM 0 H VAL A 20 7.095 -3.871 -1.879 1.00 55.44 H new ATOM 0 HA VAL A 20 4.755 -2.544 -0.680 1.00 15.22 H new ATOM 0 HB VAL A 20 4.422 -1.314 -2.805 1.00 43.01 H new ATOM 0 HG11 VAL A 20 6.258 0.328 -2.558 1.00 2.35 H new ATOM 0 HG12 VAL A 20 5.605 -0.184 -0.984 1.00 2.35 H new ATOM 0 HG13 VAL A 20 7.156 -0.840 -1.560 1.00 2.35 H new ATOM 0 HG21 VAL A 20 6.226 -1.200 -4.492 1.00 73.52 H new ATOM 0 HG22 VAL A 20 7.124 -2.454 -3.604 1.00 73.52 H new ATOM 0 HG23 VAL A 20 5.552 -2.841 -4.344 1.00 73.52 H new ATOM 339 N SER A 21 3.103 -3.839 -2.165 1.00 11.21 N ATOM 340 CA SER A 21 2.177 -4.748 -2.860 1.00 51.45 C ATOM 341 C SER A 21 0.981 -3.981 -3.439 1.00 23.32 C ATOM 342 O SER A 21 0.838 -2.779 -3.218 1.00 31.44 O ATOM 343 CB SER A 21 1.680 -5.852 -1.918 1.00 51.31 C ATOM 344 OG SER A 21 0.817 -6.757 -2.595 1.00 51.12 O ATOM 0 H SER A 21 2.643 -3.125 -1.600 1.00 11.21 H new ATOM 0 HA SER A 21 2.726 -5.209 -3.681 1.00 51.45 H new ATOM 0 HB2 SER A 21 2.532 -6.395 -1.509 1.00 51.31 H new ATOM 0 HB3 SER A 21 1.153 -5.404 -1.075 1.00 51.31 H new ATOM 0 HG SER A 21 0.392 -7.353 -1.943 1.00 51.12 H new ATOM 350 N THR A 22 0.124 -4.679 -4.180 1.00 63.24 N ATOM 351 CA THR A 22 -1.036 -4.047 -4.826 1.00 23.35 C ATOM 352 C THR A 22 -2.347 -4.376 -4.101 1.00 24.51 C ATOM 353 O THR A 22 -2.484 -5.439 -3.491 1.00 23.30 O ATOM 354 CB THR A 22 -1.170 -4.477 -6.307 1.00 21.20 C ATOM 355 OG1 THR A 22 -1.439 -5.884 -6.397 1.00 75.51 O ATOM 356 CG2 THR A 22 0.100 -4.152 -7.089 1.00 2.54 C ATOM 0 H THR A 22 0.206 -5.681 -4.351 1.00 63.24 H new ATOM 0 HA THR A 22 -0.858 -2.973 -4.774 1.00 23.35 H new ATOM 0 HB THR A 22 -2.001 -3.921 -6.741 1.00 21.20 H new ATOM 0 HG1 THR A 22 -0.615 -6.386 -6.224 1.00 75.51 H new ATOM 0 HG21 THR A 22 -0.021 -4.464 -8.126 1.00 2.54 H new ATOM 0 HG22 THR A 22 0.285 -3.078 -7.053 1.00 2.54 H new ATOM 0 HG23 THR A 22 0.945 -4.681 -6.647 1.00 2.54 H new ATOM 364 N TYR A 23 -3.313 -3.455 -4.178 1.00 41.04 N ATOM 365 CA TYR A 23 -4.638 -3.653 -3.564 1.00 21.20 C ATOM 366 C TYR A 23 -5.273 -4.984 -4.001 1.00 42.12 C ATOM 367 O TYR A 23 -5.946 -5.652 -3.214 1.00 13.41 O ATOM 368 CB TYR A 23 -5.583 -2.496 -3.932 1.00 33.30 C ATOM 369 CG TYR A 23 -5.044 -1.123 -3.584 1.00 60.21 C ATOM 370 CD1 TYR A 23 -5.024 -0.675 -2.269 1.00 21.23 C ATOM 371 CD2 TYR A 23 -4.553 -0.280 -4.571 1.00 2.32 C ATOM 372 CE1 TYR A 23 -4.526 0.573 -1.950 1.00 63.21 C ATOM 373 CE2 TYR A 23 -4.051 0.967 -4.259 1.00 54.14 C ATOM 374 CZ TYR A 23 -4.041 1.390 -2.949 1.00 20.14 C ATOM 375 OH TYR A 23 -3.536 2.631 -2.636 1.00 21.02 O ATOM 0 H TYR A 23 -3.206 -2.562 -4.659 1.00 41.04 H new ATOM 0 HA TYR A 23 -4.491 -3.677 -2.484 1.00 21.20 H new ATOM 0 HB2 TYR A 23 -5.787 -2.534 -5.002 1.00 33.30 H new ATOM 0 HB3 TYR A 23 -6.535 -2.641 -3.421 1.00 33.30 H new ATOM 0 HD1 TYR A 23 -5.404 -1.312 -1.484 1.00 21.23 H new ATOM 0 HD2 TYR A 23 -4.564 -0.605 -5.601 1.00 2.32 H new ATOM 0 HE1 TYR A 23 -4.517 0.907 -0.923 1.00 63.21 H new ATOM 0 HE2 TYR A 23 -3.668 1.608 -5.039 1.00 54.14 H new ATOM 0 HH TYR A 23 -2.644 2.531 -2.242 1.00 21.02 H new ATOM 385 N GLY A 24 -5.050 -5.354 -5.264 1.00 13.41 N ATOM 386 CA GLY A 24 -5.592 -6.597 -5.800 1.00 55.11 C ATOM 387 C GLY A 24 -5.085 -7.830 -5.060 1.00 30.30 C ATOM 388 O GLY A 24 -5.874 -8.694 -4.668 1.00 4.24 O ATOM 0 H GLY A 24 -4.500 -4.811 -5.929 1.00 13.41 H new ATOM 0 HA2 GLY A 24 -6.680 -6.567 -5.744 1.00 55.11 H new ATOM 0 HA3 GLY A 24 -5.329 -6.678 -6.855 1.00 55.11 H new ATOM 392 N GLU A 25 -3.769 -7.903 -4.856 1.00 40.51 N ATOM 393 CA GLU A 25 -3.156 -9.021 -4.129 1.00 54.23 C ATOM 394 C GLU A 25 -3.681 -9.098 -2.689 1.00 65.41 C ATOM 395 O GLU A 25 -4.148 -10.147 -2.242 1.00 43.54 O ATOM 396 CB GLU A 25 -1.628 -8.870 -4.123 1.00 4.13 C ATOM 397 CG GLU A 25 -1.006 -8.864 -5.516 1.00 42.42 C ATOM 398 CD GLU A 25 0.498 -8.634 -5.496 1.00 15.25 C ATOM 399 OE1 GLU A 25 0.923 -7.458 -5.451 1.00 52.12 O ATOM 400 OE2 GLU A 25 1.259 -9.626 -5.532 1.00 22.34 O ATOM 0 H GLU A 25 -3.105 -7.202 -5.183 1.00 40.51 H new ATOM 0 HA GLU A 25 -3.425 -9.946 -4.639 1.00 54.23 H new ATOM 0 HB2 GLU A 25 -1.366 -7.943 -3.614 1.00 4.13 H new ATOM 0 HB3 GLU A 25 -1.194 -9.685 -3.544 1.00 4.13 H new ATOM 0 HG2 GLU A 25 -1.216 -9.815 -6.005 1.00 42.42 H new ATOM 0 HG3 GLU A 25 -1.479 -8.086 -6.115 1.00 42.42 H new ATOM 407 N ILE A 26 -3.613 -7.971 -1.976 1.00 54.25 N ATOM 408 CA ILE A 26 -4.087 -7.888 -0.587 1.00 10.30 C ATOM 409 C ILE A 26 -5.539 -8.385 -0.452 1.00 54.25 C ATOM 410 O ILE A 26 -5.840 -9.263 0.362 1.00 53.31 O ATOM 411 CB ILE A 26 -3.998 -6.430 -0.057 1.00 42.25 C ATOM 412 CG1 ILE A 26 -2.549 -5.915 -0.120 1.00 33.25 C ATOM 413 CG2 ILE A 26 -4.545 -6.334 1.368 1.00 4.31 C ATOM 414 CD1 ILE A 26 -1.571 -6.711 0.722 1.00 72.11 C ATOM 0 H ILE A 26 -3.232 -7.097 -2.338 1.00 54.25 H new ATOM 0 HA ILE A 26 -3.439 -8.532 0.007 1.00 10.30 H new ATOM 0 HB ILE A 26 -4.613 -5.799 -0.699 1.00 42.25 H new ATOM 0 HG12 ILE A 26 -2.214 -5.930 -1.157 1.00 33.25 H new ATOM 0 HG13 ILE A 26 -2.530 -4.875 0.206 1.00 33.25 H new ATOM 0 HG21 ILE A 26 -4.472 -5.304 1.717 1.00 4.31 H new ATOM 0 HG22 ILE A 26 -5.589 -6.648 1.379 1.00 4.31 H new ATOM 0 HG23 ILE A 26 -3.965 -6.982 2.025 1.00 4.31 H new ATOM 0 HD11 ILE A 26 -0.573 -6.284 0.622 1.00 72.11 H new ATOM 0 HD12 ILE A 26 -1.878 -6.676 1.767 1.00 72.11 H new ATOM 0 HD13 ILE A 26 -1.558 -7.747 0.383 1.00 72.11 H new ATOM 426 N ALA A 27 -6.432 -7.821 -1.263 1.00 42.40 N ATOM 427 CA ALA A 27 -7.843 -8.215 -1.252 1.00 5.25 C ATOM 428 C ALA A 27 -8.011 -9.702 -1.605 1.00 24.12 C ATOM 429 O ALA A 27 -8.754 -10.434 -0.947 1.00 62.23 O ATOM 430 CB ALA A 27 -8.639 -7.343 -2.218 1.00 3.03 C ATOM 0 H ALA A 27 -6.205 -7.090 -1.937 1.00 42.40 H new ATOM 0 HA ALA A 27 -8.228 -8.068 -0.243 1.00 5.25 H new ATOM 0 HB1 ALA A 27 -9.686 -7.645 -2.202 1.00 3.03 H new ATOM 0 HB2 ALA A 27 -8.557 -6.299 -1.917 1.00 3.03 H new ATOM 0 HB3 ALA A 27 -8.243 -7.462 -3.226 1.00 3.03 H new ATOM 436 N LYS A 28 -7.295 -10.145 -2.635 1.00 73.33 N ATOM 437 CA LYS A 28 -7.370 -11.536 -3.100 1.00 53.41 C ATOM 438 C LYS A 28 -6.898 -12.523 -2.012 1.00 64.43 C ATOM 439 O LYS A 28 -7.420 -13.635 -1.897 1.00 32.34 O ATOM 440 CB LYS A 28 -6.538 -11.694 -4.382 1.00 63.34 C ATOM 441 CG LYS A 28 -6.640 -13.070 -5.032 1.00 0.25 C ATOM 442 CD LYS A 28 -6.006 -13.089 -6.423 1.00 0.35 C ATOM 443 CE LYS A 28 -4.515 -12.767 -6.386 1.00 4.13 C ATOM 444 NZ LYS A 28 -3.739 -13.804 -5.658 1.00 11.31 N ATOM 0 H LYS A 28 -6.652 -9.561 -3.169 1.00 73.33 H new ATOM 0 HA LYS A 28 -8.411 -11.773 -3.317 1.00 53.41 H new ATOM 0 HB2 LYS A 28 -6.856 -10.940 -5.103 1.00 63.34 H new ATOM 0 HB3 LYS A 28 -5.492 -11.492 -4.150 1.00 63.34 H new ATOM 0 HG2 LYS A 28 -6.149 -13.809 -4.399 1.00 0.25 H new ATOM 0 HG3 LYS A 28 -7.688 -13.360 -5.106 1.00 0.25 H new ATOM 0 HD2 LYS A 28 -6.152 -14.071 -6.873 1.00 0.35 H new ATOM 0 HD3 LYS A 28 -6.515 -12.367 -7.062 1.00 0.35 H new ATOM 0 HE2 LYS A 28 -4.138 -12.681 -7.405 1.00 4.13 H new ATOM 0 HE3 LYS A 28 -4.365 -11.799 -5.907 1.00 4.13 H new ATOM 0 HZ1 LYS A 28 -2.723 -13.601 -5.743 1.00 11.31 H new ATOM 0 HZ2 LYS A 28 -4.010 -13.799 -4.654 1.00 11.31 H new ATOM 0 HZ3 LYS A 28 -3.940 -14.739 -6.067 1.00 11.31 H new ATOM 458 N MET A 29 -5.918 -12.105 -1.210 1.00 62.10 N ATOM 459 CA MET A 29 -5.448 -12.912 -0.075 1.00 2.10 C ATOM 460 C MET A 29 -6.473 -12.909 1.070 1.00 72.02 C ATOM 461 O MET A 29 -6.731 -13.939 1.692 1.00 2.50 O ATOM 462 CB MET A 29 -4.099 -12.388 0.436 1.00 54.33 C ATOM 463 CG MET A 29 -2.970 -12.496 -0.577 1.00 32.03 C ATOM 464 SD MET A 29 -1.411 -11.847 0.053 1.00 73.10 S ATOM 465 CE MET A 29 -0.355 -12.054 -1.377 1.00 5.55 C ATOM 0 H MET A 29 -5.433 -11.215 -1.322 1.00 62.10 H new ATOM 0 HA MET A 29 -5.324 -13.936 -0.426 1.00 2.10 H new ATOM 0 HB2 MET A 29 -4.213 -11.344 0.728 1.00 54.33 H new ATOM 0 HB3 MET A 29 -3.822 -12.941 1.334 1.00 54.33 H new ATOM 0 HG2 MET A 29 -2.838 -13.541 -0.858 1.00 32.03 H new ATOM 0 HG3 MET A 29 -3.246 -11.955 -1.482 1.00 32.03 H new ATOM 0 HE1 MET A 29 0.645 -12.342 -1.052 1.00 5.55 H new ATOM 0 HE2 MET A 29 -0.765 -12.831 -2.023 1.00 5.55 H new ATOM 0 HE3 MET A 29 -0.301 -11.115 -1.928 1.00 5.55 H new ATOM 475 N ALA A 30 -7.058 -11.741 1.334 1.00 45.01 N ATOM 476 CA ALA A 30 -8.076 -11.592 2.384 1.00 51.34 C ATOM 477 C ALA A 30 -9.360 -12.373 2.062 1.00 22.32 C ATOM 478 O ALA A 30 -10.122 -12.735 2.961 1.00 15.24 O ATOM 479 CB ALA A 30 -8.397 -10.115 2.588 1.00 11.13 C ATOM 0 H ALA A 30 -6.846 -10.877 0.834 1.00 45.01 H new ATOM 0 HA ALA A 30 -7.665 -12.010 3.303 1.00 51.34 H new ATOM 0 HB1 ALA A 30 -9.152 -10.011 3.367 1.00 11.13 H new ATOM 0 HB2 ALA A 30 -7.493 -9.584 2.886 1.00 11.13 H new ATOM 0 HB3 ALA A 30 -8.776 -9.693 1.657 1.00 11.13 H new ATOM 485 N GLY A 31 -9.599 -12.616 0.776 1.00 25.14 N ATOM 486 CA GLY A 31 -10.779 -13.367 0.352 1.00 42.04 C ATOM 487 C GLY A 31 -11.831 -12.500 -0.331 1.00 10.44 C ATOM 488 O GLY A 31 -13.017 -12.838 -0.340 1.00 51.31 O ATOM 0 H GLY A 31 -8.996 -12.307 0.013 1.00 25.14 H new ATOM 0 HA2 GLY A 31 -10.471 -14.159 -0.331 1.00 42.04 H new ATOM 0 HA3 GLY A 31 -11.225 -13.851 1.221 1.00 42.04 H new ATOM 492 N TYR A 32 -11.399 -11.377 -0.903 1.00 64.43 N ATOM 493 CA TYR A 32 -12.308 -10.449 -1.590 1.00 41.43 C ATOM 494 C TYR A 32 -11.721 -9.971 -2.934 1.00 63.41 C ATOM 495 O TYR A 32 -11.404 -8.790 -3.098 1.00 40.32 O ATOM 496 CB TYR A 32 -12.598 -9.235 -0.691 1.00 60.34 C ATOM 497 CG TYR A 32 -13.082 -9.594 0.702 1.00 51.44 C ATOM 498 CD1 TYR A 32 -12.176 -9.785 1.743 1.00 74.24 C ATOM 499 CD2 TYR A 32 -14.438 -9.736 0.978 1.00 12.15 C ATOM 500 CE1 TYR A 32 -12.607 -10.108 3.014 1.00 74.50 C ATOM 501 CE2 TYR A 32 -14.875 -10.059 2.250 1.00 53.12 C ATOM 502 CZ TYR A 32 -13.955 -10.243 3.264 1.00 54.22 C ATOM 503 OH TYR A 32 -14.386 -10.565 4.534 1.00 52.04 O ATOM 0 H TYR A 32 -10.422 -11.084 -0.906 1.00 64.43 H new ATOM 0 HA TYR A 32 -13.235 -10.984 -1.797 1.00 41.43 H new ATOM 0 HB2 TYR A 32 -11.692 -8.636 -0.605 1.00 60.34 H new ATOM 0 HB3 TYR A 32 -13.349 -8.610 -1.175 1.00 60.34 H new ATOM 0 HD1 TYR A 32 -11.118 -9.679 1.552 1.00 74.24 H new ATOM 0 HD2 TYR A 32 -15.160 -9.592 0.188 1.00 12.15 H new ATOM 0 HE1 TYR A 32 -11.891 -10.254 3.809 1.00 74.50 H new ATOM 0 HE2 TYR A 32 -15.931 -10.167 2.450 1.00 53.12 H new ATOM 0 HH TYR A 32 -15.364 -10.621 4.543 1.00 52.04 H new ATOM 513 N PRO A 33 -11.560 -10.882 -3.916 1.00 3.33 N ATOM 514 CA PRO A 33 -11.010 -10.534 -5.241 1.00 53.05 C ATOM 515 C PRO A 33 -11.878 -9.515 -5.996 1.00 63.51 C ATOM 516 O PRO A 33 -13.108 -9.603 -5.989 1.00 52.22 O ATOM 517 CB PRO A 33 -10.977 -11.882 -5.988 1.00 5.14 C ATOM 518 CG PRO A 33 -11.053 -12.918 -4.916 1.00 64.04 C ATOM 519 CD PRO A 33 -11.892 -12.314 -3.826 1.00 53.42 C ATOM 0 HA PRO A 33 -10.033 -10.057 -5.158 1.00 53.05 H new ATOM 0 HB2 PRO A 33 -11.813 -11.970 -6.682 1.00 5.14 H new ATOM 0 HB3 PRO A 33 -10.064 -11.986 -6.574 1.00 5.14 H new ATOM 0 HG2 PRO A 33 -11.502 -13.838 -5.291 1.00 64.04 H new ATOM 0 HG3 PRO A 33 -10.059 -13.175 -4.549 1.00 64.04 H new ATOM 0 HD2 PRO A 33 -12.955 -12.494 -3.987 1.00 53.42 H new ATOM 0 HD3 PRO A 33 -11.643 -12.726 -2.848 1.00 53.42 H new ATOM 527 N GLY A 34 -11.233 -8.547 -6.644 1.00 20.11 N ATOM 528 CA GLY A 34 -11.956 -7.526 -7.395 1.00 54.01 C ATOM 529 C GLY A 34 -12.259 -6.276 -6.570 1.00 11.43 C ATOM 530 O GLY A 34 -12.346 -5.174 -7.109 1.00 42.54 O ATOM 0 H GLY A 34 -10.218 -8.449 -6.664 1.00 20.11 H new ATOM 0 HA2 GLY A 34 -11.370 -7.243 -8.269 1.00 54.01 H new ATOM 0 HA3 GLY A 34 -12.892 -7.948 -7.761 1.00 54.01 H new ATOM 534 N TYR A 35 -12.383 -6.434 -5.255 1.00 44.54 N ATOM 535 CA TYR A 35 -12.725 -5.314 -4.361 1.00 25.03 C ATOM 536 C TYR A 35 -11.508 -4.424 -4.036 1.00 60.11 C ATOM 537 O TYR A 35 -11.505 -3.697 -3.040 1.00 64.35 O ATOM 538 CB TYR A 35 -13.346 -5.853 -3.065 1.00 53.13 C ATOM 539 CG TYR A 35 -14.705 -6.500 -3.265 1.00 12.32 C ATOM 540 CD1 TYR A 35 -15.871 -5.744 -3.187 1.00 51.53 C ATOM 541 CD2 TYR A 35 -14.825 -7.860 -3.529 1.00 20.21 C ATOM 542 CE1 TYR A 35 -17.111 -6.322 -3.367 1.00 42.22 C ATOM 543 CE2 TYR A 35 -16.063 -8.445 -3.712 1.00 33.30 C ATOM 544 CZ TYR A 35 -17.202 -7.672 -3.629 1.00 11.03 C ATOM 545 OH TYR A 35 -18.440 -8.247 -3.803 1.00 41.44 O ATOM 0 H TYR A 35 -12.253 -7.326 -4.777 1.00 44.54 H new ATOM 0 HA TYR A 35 -13.447 -4.688 -4.886 1.00 25.03 H new ATOM 0 HB2 TYR A 35 -12.667 -6.582 -2.623 1.00 53.13 H new ATOM 0 HB3 TYR A 35 -13.444 -5.035 -2.351 1.00 53.13 H new ATOM 0 HD1 TYR A 35 -15.804 -4.686 -2.982 1.00 51.53 H new ATOM 0 HD2 TYR A 35 -13.935 -8.469 -3.592 1.00 20.21 H new ATOM 0 HE1 TYR A 35 -18.005 -5.720 -3.303 1.00 42.22 H new ATOM 0 HE2 TYR A 35 -16.138 -9.502 -3.919 1.00 33.30 H new ATOM 0 HH TYR A 35 -18.334 -9.205 -3.981 1.00 41.44 H new ATOM 555 N ALA A 36 -10.494 -4.452 -4.903 1.00 33.31 N ATOM 556 CA ALA A 36 -9.269 -3.665 -4.709 1.00 5.04 C ATOM 557 C ALA A 36 -9.557 -2.162 -4.544 1.00 42.13 C ATOM 558 O ALA A 36 -8.904 -1.475 -3.754 1.00 74.33 O ATOM 559 CB ALA A 36 -8.319 -3.896 -5.879 1.00 15.12 C ATOM 0 H ALA A 36 -10.495 -5.015 -5.753 1.00 33.31 H new ATOM 0 HA ALA A 36 -8.804 -4.003 -3.783 1.00 5.04 H new ATOM 0 HB1 ALA A 36 -7.411 -3.311 -5.732 1.00 15.12 H new ATOM 0 HB2 ALA A 36 -8.063 -4.954 -5.937 1.00 15.12 H new ATOM 0 HB3 ALA A 36 -8.802 -3.589 -6.806 1.00 15.12 H new ATOM 565 N ARG A 37 -10.533 -1.659 -5.297 1.00 62.12 N ATOM 566 CA ARG A 37 -10.934 -0.248 -5.217 1.00 43.42 C ATOM 567 C ARG A 37 -11.390 0.136 -3.800 1.00 0.44 C ATOM 568 O ARG A 37 -11.092 1.230 -3.315 1.00 43.43 O ATOM 569 CB ARG A 37 -12.053 0.041 -6.230 1.00 4.34 C ATOM 570 CG ARG A 37 -13.334 -0.758 -5.991 1.00 13.31 C ATOM 571 CD ARG A 37 -14.336 -0.578 -7.125 1.00 70.14 C ATOM 572 NE ARG A 37 -13.816 -1.091 -8.391 1.00 61.13 N ATOM 573 CZ ARG A 37 -14.425 -0.970 -9.539 1.00 33.12 C ATOM 574 NH1 ARG A 37 -15.550 -0.332 -9.630 1.00 24.34 N ATOM 575 NH2 ARG A 37 -13.895 -1.479 -10.603 1.00 14.22 N ATOM 0 H ARG A 37 -11.065 -2.207 -5.973 1.00 62.12 H new ATOM 0 HA ARG A 37 -10.061 0.359 -5.459 1.00 43.42 H new ATOM 0 HB2 ARG A 37 -12.290 1.104 -6.199 1.00 4.34 H new ATOM 0 HB3 ARG A 37 -11.685 -0.175 -7.233 1.00 4.34 H new ATOM 0 HG2 ARG A 37 -13.089 -1.815 -5.888 1.00 13.31 H new ATOM 0 HG3 ARG A 37 -13.788 -0.443 -5.052 1.00 13.31 H new ATOM 0 HD2 ARG A 37 -15.264 -1.094 -6.877 1.00 70.14 H new ATOM 0 HD3 ARG A 37 -14.578 0.479 -7.233 1.00 70.14 H new ATOM 0 HE ARG A 37 -12.918 -1.575 -8.376 1.00 61.13 H new ATOM 0 HH11 ARG A 37 -15.970 0.083 -8.798 1.00 24.34 H new ATOM 0 HH12 ARG A 37 -16.015 -0.245 -10.534 1.00 24.34 H new ATOM 0 HH21 ARG A 37 -13.004 -1.973 -10.543 1.00 14.22 H new ATOM 0 HH22 ARG A 37 -14.367 -1.387 -11.502 1.00 14.22 H new ATOM 589 N HIS A 38 -12.095 -0.778 -3.133 1.00 2.42 N ATOM 590 CA HIS A 38 -12.583 -0.536 -1.771 1.00 45.33 C ATOM 591 C HIS A 38 -11.425 -0.507 -0.766 1.00 4.34 C ATOM 592 O HIS A 38 -11.449 0.256 0.199 1.00 21.11 O ATOM 593 CB HIS A 38 -13.608 -1.598 -1.368 1.00 61.32 C ATOM 594 CG HIS A 38 -14.865 -1.552 -2.181 1.00 73.44 C ATOM 595 ND1 HIS A 38 -15.846 -0.629 -1.921 1.00 2.21 N ATOM 596 CD2 HIS A 38 -15.252 -2.324 -3.224 1.00 22.31 C ATOM 597 CE1 HIS A 38 -16.800 -0.855 -2.804 1.00 72.14 C ATOM 598 NE2 HIS A 38 -16.489 -1.876 -3.615 1.00 72.41 N ATOM 0 H HIS A 38 -12.342 -1.692 -3.511 1.00 2.42 H new ATOM 0 HA HIS A 38 -13.068 0.440 -1.760 1.00 45.33 H new ATOM 0 HB2 HIS A 38 -13.156 -2.585 -1.468 1.00 61.32 H new ATOM 0 HB3 HIS A 38 -13.860 -1.468 -0.316 1.00 61.32 H new ATOM 0 HD2 HIS A 38 -14.694 -3.137 -3.664 1.00 22.31 H new ATOM 0 HE1 HIS A 38 -17.717 -0.288 -2.866 1.00 72.14 H new ATOM 0 HE2 HIS A 38 -17.060 -2.247 -4.374 1.00 72.41 H new ATOM 606 N VAL A 39 -10.410 -1.335 -1.005 1.00 50.32 N ATOM 607 CA VAL A 39 -9.198 -1.332 -0.180 1.00 31.21 C ATOM 608 C VAL A 39 -8.517 0.047 -0.221 1.00 35.43 C ATOM 609 O VAL A 39 -8.111 0.585 0.810 1.00 14.45 O ATOM 610 CB VAL A 39 -8.193 -2.417 -0.646 1.00 52.52 C ATOM 611 CG1 VAL A 39 -6.968 -2.463 0.270 1.00 44.22 C ATOM 612 CG2 VAL A 39 -8.870 -3.786 -0.717 1.00 14.21 C ATOM 0 H VAL A 39 -10.400 -2.018 -1.763 1.00 50.32 H new ATOM 0 HA VAL A 39 -9.502 -1.556 0.843 1.00 31.21 H new ATOM 0 HB VAL A 39 -7.852 -2.152 -1.647 1.00 52.52 H new ATOM 0 HG11 VAL A 39 -6.280 -3.233 -0.080 1.00 44.22 H new ATOM 0 HG12 VAL A 39 -6.467 -1.495 0.256 1.00 44.22 H new ATOM 0 HG13 VAL A 39 -7.283 -2.694 1.288 1.00 44.22 H new ATOM 0 HG21 VAL A 39 -8.147 -4.533 -1.046 1.00 14.21 H new ATOM 0 HG22 VAL A 39 -9.248 -4.057 0.269 1.00 14.21 H new ATOM 0 HG23 VAL A 39 -9.698 -3.746 -1.425 1.00 14.21 H new ATOM 622 N GLY A 40 -8.415 0.620 -1.422 1.00 25.50 N ATOM 623 CA GLY A 40 -7.864 1.965 -1.574 1.00 20.11 C ATOM 624 C GLY A 40 -8.712 3.032 -0.882 1.00 74.12 C ATOM 625 O GLY A 40 -8.184 3.961 -0.262 1.00 62.42 O ATOM 0 H GLY A 40 -8.704 0.178 -2.295 1.00 25.50 H new ATOM 0 HA2 GLY A 40 -6.854 1.988 -1.165 1.00 20.11 H new ATOM 0 HA3 GLY A 40 -7.783 2.202 -2.635 1.00 20.11 H new ATOM 629 N LYS A 41 -10.033 2.898 -0.993 1.00 32.23 N ATOM 630 CA LYS A 41 -10.966 3.794 -0.298 1.00 64.20 C ATOM 631 C LYS A 41 -10.891 3.600 1.225 1.00 55.00 C ATOM 632 O LYS A 41 -11.174 4.517 1.995 1.00 45.12 O ATOM 633 CB LYS A 41 -12.404 3.546 -0.780 1.00 54.23 C ATOM 634 CG LYS A 41 -12.614 3.803 -2.272 1.00 74.33 C ATOM 635 CD LYS A 41 -14.025 3.425 -2.720 1.00 22.32 C ATOM 636 CE LYS A 41 -15.091 4.298 -2.059 1.00 13.25 C ATOM 637 NZ LYS A 41 -16.466 3.812 -2.353 1.00 1.34 N ATOM 0 H LYS A 41 -10.485 2.178 -1.557 1.00 32.23 H new ATOM 0 HA LYS A 41 -10.679 4.819 -0.531 1.00 64.20 H new ATOM 0 HB2 LYS A 41 -12.678 2.515 -0.558 1.00 54.23 H new ATOM 0 HB3 LYS A 41 -13.081 4.185 -0.213 1.00 54.23 H new ATOM 0 HG2 LYS A 41 -12.434 4.856 -2.488 1.00 74.33 H new ATOM 0 HG3 LYS A 41 -11.885 3.231 -2.846 1.00 74.33 H new ATOM 0 HD2 LYS A 41 -14.099 3.521 -3.803 1.00 22.32 H new ATOM 0 HD3 LYS A 41 -14.213 2.379 -2.479 1.00 22.32 H new ATOM 0 HE2 LYS A 41 -14.933 4.310 -0.981 1.00 13.25 H new ATOM 0 HE3 LYS A 41 -14.987 5.325 -2.408 1.00 13.25 H new ATOM 0 HZ1 LYS A 41 -17.160 4.431 -1.887 1.00 1.34 H new ATOM 0 HZ2 LYS A 41 -16.626 3.824 -3.381 1.00 1.34 H new ATOM 0 HZ3 LYS A 41 -16.574 2.841 -1.997 1.00 1.34 H new ATOM 651 N ALA A 42 -10.521 2.392 1.649 1.00 3.13 N ATOM 652 CA ALA A 42 -10.360 2.082 3.071 1.00 70.54 C ATOM 653 C ALA A 42 -9.112 2.753 3.658 1.00 42.30 C ATOM 654 O ALA A 42 -9.193 3.467 4.661 1.00 53.13 O ATOM 655 CB ALA A 42 -10.295 0.574 3.276 1.00 25.22 C ATOM 0 H ALA A 42 -10.326 1.608 1.026 1.00 3.13 H new ATOM 0 HA ALA A 42 -11.228 2.478 3.599 1.00 70.54 H new ATOM 0 HB1 ALA A 42 -10.175 0.356 4.337 1.00 25.22 H new ATOM 0 HB2 ALA A 42 -11.216 0.117 2.913 1.00 25.22 H new ATOM 0 HB3 ALA A 42 -9.447 0.168 2.724 1.00 25.22 H new ATOM 661 N LEU A 43 -7.959 2.524 3.025 1.00 24.24 N ATOM 662 CA LEU A 43 -6.687 3.093 3.491 1.00 62.12 C ATOM 663 C LEU A 43 -6.718 4.630 3.480 1.00 20.23 C ATOM 664 O LEU A 43 -6.201 5.276 4.390 1.00 22.20 O ATOM 665 CB LEU A 43 -5.521 2.586 2.629 1.00 73.53 C ATOM 666 CG LEU A 43 -5.355 1.056 2.570 1.00 21.45 C ATOM 667 CD1 LEU A 43 -4.101 0.684 1.788 1.00 40.31 C ATOM 668 CD2 LEU A 43 -5.313 0.456 3.972 1.00 4.52 C ATOM 0 H LEU A 43 -7.878 1.948 2.187 1.00 24.24 H new ATOM 0 HA LEU A 43 -6.540 2.765 4.520 1.00 62.12 H new ATOM 0 HB2 LEU A 43 -5.654 2.959 1.613 1.00 73.53 H new ATOM 0 HB3 LEU A 43 -4.596 3.020 3.009 1.00 73.53 H new ATOM 0 HG LEU A 43 -6.220 0.641 2.053 1.00 21.45 H new ATOM 0 HD11 LEU A 43 -4.000 -0.401 1.757 1.00 40.31 H new ATOM 0 HD12 LEU A 43 -4.178 1.071 0.772 1.00 40.31 H new ATOM 0 HD13 LEU A 43 -3.227 1.116 2.275 1.00 40.31 H new ATOM 0 HD21 LEU A 43 -5.195 -0.625 3.902 1.00 4.52 H new ATOM 0 HD22 LEU A 43 -4.472 0.877 4.523 1.00 4.52 H new ATOM 0 HD23 LEU A 43 -6.241 0.687 4.494 1.00 4.52 H new ATOM 680 N GLY A 44 -7.333 5.209 2.449 1.00 15.12 N ATOM 681 CA GLY A 44 -7.454 6.665 2.368 1.00 31.15 C ATOM 682 C GLY A 44 -8.289 7.272 3.498 1.00 54.51 C ATOM 683 O GLY A 44 -8.244 8.480 3.733 1.00 34.34 O ATOM 0 H GLY A 44 -7.750 4.701 1.669 1.00 15.12 H new ATOM 0 HA2 GLY A 44 -6.457 7.106 2.386 1.00 31.15 H new ATOM 0 HA3 GLY A 44 -7.903 6.932 1.411 1.00 31.15 H new ATOM 687 N ASN A 45 -9.053 6.433 4.195 1.00 35.23 N ATOM 688 CA ASN A 45 -9.897 6.880 5.314 1.00 12.32 C ATOM 689 C ASN A 45 -9.278 6.518 6.678 1.00 55.04 C ATOM 690 O ASN A 45 -9.930 6.640 7.719 1.00 30.13 O ATOM 691 CB ASN A 45 -11.299 6.269 5.188 1.00 42.22 C ATOM 692 CG ASN A 45 -12.081 6.835 4.010 1.00 64.35 C ATOM 693 OD1 ASN A 45 -11.509 7.286 3.023 1.00 43.24 O ATOM 694 ND2 ASN A 45 -13.396 6.804 4.096 1.00 43.31 N ATOM 0 H ASN A 45 -9.108 5.432 4.007 1.00 35.23 H new ATOM 0 HA ASN A 45 -9.969 7.967 5.265 1.00 12.32 H new ATOM 0 HB2 ASN A 45 -11.212 5.188 5.076 1.00 42.22 H new ATOM 0 HB3 ASN A 45 -11.854 6.450 6.108 1.00 42.22 H new ATOM 0 HD21 ASN A 45 -13.966 7.161 3.329 1.00 43.31 H new ATOM 0 HD22 ASN A 45 -13.844 6.423 4.929 1.00 43.31 H new ATOM 701 N LEU A 46 -8.021 6.080 6.669 1.00 33.22 N ATOM 702 CA LEU A 46 -7.298 5.746 7.905 1.00 34.30 C ATOM 703 C LEU A 46 -6.624 6.980 8.531 1.00 22.13 C ATOM 704 O LEU A 46 -6.344 7.967 7.846 1.00 75.23 O ATOM 705 CB LEU A 46 -6.233 4.674 7.622 1.00 70.14 C ATOM 706 CG LEU A 46 -6.768 3.250 7.415 1.00 74.42 C ATOM 707 CD1 LEU A 46 -5.638 2.312 7.008 1.00 20.23 C ATOM 708 CD2 LEU A 46 -7.450 2.748 8.688 1.00 64.42 C ATOM 0 H LEU A 46 -7.475 5.946 5.818 1.00 33.22 H new ATOM 0 HA LEU A 46 -8.032 5.365 8.615 1.00 34.30 H new ATOM 0 HB2 LEU A 46 -5.675 4.967 6.733 1.00 70.14 H new ATOM 0 HB3 LEU A 46 -5.526 4.661 8.452 1.00 70.14 H new ATOM 0 HG LEU A 46 -7.506 3.269 6.613 1.00 74.42 H new ATOM 0 HD11 LEU A 46 -6.034 1.306 6.865 1.00 20.23 H new ATOM 0 HD12 LEU A 46 -5.192 2.662 6.077 1.00 20.23 H new ATOM 0 HD13 LEU A 46 -4.879 2.296 7.790 1.00 20.23 H new ATOM 0 HD21 LEU A 46 -7.824 1.737 8.526 1.00 64.42 H new ATOM 0 HD22 LEU A 46 -6.731 2.742 9.508 1.00 64.42 H new ATOM 0 HD23 LEU A 46 -8.281 3.407 8.939 1.00 64.42 H new ATOM 720 N PRO A 47 -6.369 6.947 9.856 1.00 61.31 N ATOM 721 CA PRO A 47 -5.583 7.992 10.531 1.00 35.53 C ATOM 722 C PRO A 47 -4.095 7.932 10.139 1.00 61.12 C ATOM 723 O PRO A 47 -3.584 6.866 9.789 1.00 60.33 O ATOM 724 CB PRO A 47 -5.774 7.676 12.022 1.00 11.54 C ATOM 725 CG PRO A 47 -6.074 6.215 12.064 1.00 35.23 C ATOM 726 CD PRO A 47 -6.836 5.911 10.800 1.00 70.14 C ATOM 0 HA PRO A 47 -5.907 8.997 10.260 1.00 35.53 H new ATOM 0 HB2 PRO A 47 -4.878 7.913 12.595 1.00 11.54 H new ATOM 0 HB3 PRO A 47 -6.589 8.260 12.449 1.00 11.54 H new ATOM 0 HG2 PRO A 47 -5.156 5.630 12.117 1.00 35.23 H new ATOM 0 HG3 PRO A 47 -6.664 5.963 12.945 1.00 35.23 H new ATOM 0 HD2 PRO A 47 -6.620 4.908 10.433 1.00 70.14 H new ATOM 0 HD3 PRO A 47 -7.913 5.968 10.957 1.00 70.14 H new ATOM 734 N GLU A 48 -3.409 9.078 10.211 1.00 35.13 N ATOM 735 CA GLU A 48 -1.999 9.184 9.789 1.00 0.12 C ATOM 736 C GLU A 48 -1.141 8.060 10.407 1.00 2.22 C ATOM 737 O GLU A 48 -0.716 7.125 9.718 1.00 51.42 O ATOM 738 CB GLU A 48 -1.438 10.569 10.188 1.00 64.34 C ATOM 739 CG GLU A 48 -0.320 11.101 9.284 1.00 14.34 C ATOM 740 CD GLU A 48 0.898 10.189 9.199 1.00 60.41 C ATOM 741 OE1 GLU A 48 1.775 10.268 10.087 1.00 2.13 O ATOM 742 OE2 GLU A 48 0.982 9.398 8.242 1.00 40.44 O ATOM 0 H GLU A 48 -3.805 9.951 10.558 1.00 35.13 H new ATOM 0 HA GLU A 48 -1.957 9.075 8.705 1.00 0.12 H new ATOM 0 HB2 GLU A 48 -2.257 11.289 10.190 1.00 64.34 H new ATOM 0 HB3 GLU A 48 -1.062 10.511 11.209 1.00 64.34 H new ATOM 0 HG2 GLU A 48 -0.719 11.251 8.281 1.00 14.34 H new ATOM 0 HG3 GLU A 48 -0.004 12.078 9.651 1.00 14.34 H new ATOM 749 N GLY A 49 -0.913 8.143 11.714 1.00 70.14 N ATOM 750 CA GLY A 49 -0.102 7.147 12.404 1.00 45.54 C ATOM 751 C GLY A 49 -0.918 5.990 12.971 1.00 40.50 C ATOM 752 O GLY A 49 -0.913 5.753 14.182 1.00 51.22 O ATOM 0 H GLY A 49 -1.276 8.885 12.313 1.00 70.14 H new ATOM 0 HA2 GLY A 49 0.642 6.752 11.712 1.00 45.54 H new ATOM 0 HA3 GLY A 49 0.442 7.631 13.215 1.00 45.54 H new ATOM 756 N SER A 50 -1.629 5.271 12.103 1.00 63.41 N ATOM 757 CA SER A 50 -2.389 4.080 12.516 1.00 52.20 C ATOM 758 C SER A 50 -1.459 2.916 12.887 1.00 41.03 C ATOM 759 O SER A 50 -0.263 2.936 12.584 1.00 62.11 O ATOM 760 CB SER A 50 -3.334 3.628 11.392 1.00 23.50 C ATOM 761 OG SER A 50 -4.022 2.433 11.744 1.00 2.24 O ATOM 0 H SER A 50 -1.698 5.488 11.109 1.00 63.41 H new ATOM 0 HA SER A 50 -2.968 4.358 13.396 1.00 52.20 H new ATOM 0 HB2 SER A 50 -4.056 4.417 11.182 1.00 23.50 H new ATOM 0 HB3 SER A 50 -2.763 3.466 10.478 1.00 23.50 H new ATOM 0 HG SER A 50 -4.617 2.170 11.011 1.00 2.24 H new ATOM 767 N LYS A 51 -2.013 1.904 13.553 1.00 63.04 N ATOM 768 CA LYS A 51 -1.263 0.682 13.864 1.00 23.40 C ATOM 769 C LYS A 51 -0.934 -0.092 12.576 1.00 33.22 C ATOM 770 O LYS A 51 0.031 -0.858 12.519 1.00 5.05 O ATOM 771 CB LYS A 51 -2.070 -0.208 14.827 1.00 53.35 C ATOM 772 CG LYS A 51 -1.375 -1.521 15.185 1.00 44.42 C ATOM 773 CD LYS A 51 -2.205 -2.358 16.154 1.00 13.50 C ATOM 774 CE LYS A 51 -1.532 -3.690 16.477 1.00 2.44 C ATOM 775 NZ LYS A 51 -1.337 -4.528 15.263 1.00 31.31 N ATOM 0 H LYS A 51 -2.976 1.903 13.888 1.00 63.04 H new ATOM 0 HA LYS A 51 -0.328 0.965 14.347 1.00 23.40 H new ATOM 0 HB2 LYS A 51 -2.266 0.349 15.743 1.00 53.35 H new ATOM 0 HB3 LYS A 51 -3.037 -0.431 14.376 1.00 53.35 H new ATOM 0 HG2 LYS A 51 -1.191 -2.094 14.276 1.00 44.42 H new ATOM 0 HG3 LYS A 51 -0.403 -1.308 15.630 1.00 44.42 H new ATOM 0 HD2 LYS A 51 -2.362 -1.798 17.076 1.00 13.50 H new ATOM 0 HD3 LYS A 51 -3.189 -2.543 15.723 1.00 13.50 H new ATOM 0 HE2 LYS A 51 -0.566 -3.503 16.947 1.00 2.44 H new ATOM 0 HE3 LYS A 51 -2.138 -4.236 17.200 1.00 2.44 H new ATOM 0 HZ1 LYS A 51 -1.102 -5.501 15.547 1.00 31.31 H new ATOM 0 HZ2 LYS A 51 -2.212 -4.533 14.700 1.00 31.31 H new ATOM 0 HZ3 LYS A 51 -0.560 -4.137 14.692 1.00 31.31 H new ATOM 789 N LEU A 52 -1.748 0.127 11.547 1.00 73.24 N ATOM 790 CA LEU A 52 -1.575 -0.524 10.245 1.00 61.22 C ATOM 791 C LEU A 52 -0.682 0.307 9.306 1.00 20.44 C ATOM 792 O LEU A 52 -0.949 1.489 9.074 1.00 72.33 O ATOM 793 CB LEU A 52 -2.945 -0.716 9.579 1.00 50.45 C ATOM 794 CG LEU A 52 -2.902 -1.260 8.141 1.00 20.34 C ATOM 795 CD1 LEU A 52 -2.515 -2.734 8.128 1.00 64.33 C ATOM 796 CD2 LEU A 52 -4.234 -1.036 7.438 1.00 61.41 C ATOM 0 H LEU A 52 -2.547 0.760 11.589 1.00 73.24 H new ATOM 0 HA LEU A 52 -1.093 -1.486 10.419 1.00 61.22 H new ATOM 0 HB2 LEU A 52 -3.537 -1.397 10.191 1.00 50.45 H new ATOM 0 HB3 LEU A 52 -3.466 0.241 9.573 1.00 50.45 H new ATOM 0 HG LEU A 52 -2.137 -0.710 7.593 1.00 20.34 H new ATOM 0 HD11 LEU A 52 -2.492 -3.095 7.100 1.00 64.33 H new ATOM 0 HD12 LEU A 52 -1.530 -2.855 8.578 1.00 64.33 H new ATOM 0 HD13 LEU A 52 -3.247 -3.307 8.697 1.00 64.33 H new ATOM 0 HD21 LEU A 52 -4.180 -1.429 6.423 1.00 61.41 H new ATOM 0 HD22 LEU A 52 -5.025 -1.550 7.984 1.00 61.41 H new ATOM 0 HD23 LEU A 52 -4.452 0.031 7.403 1.00 61.41 H new ATOM 808 N PRO A 53 0.384 -0.289 8.735 1.00 2.20 N ATOM 809 CA PRO A 53 1.163 0.374 7.685 1.00 34.41 C ATOM 810 C PRO A 53 0.428 0.344 6.330 1.00 60.23 C ATOM 811 O PRO A 53 0.528 -0.618 5.571 1.00 71.23 O ATOM 812 CB PRO A 53 2.450 -0.459 7.633 1.00 11.34 C ATOM 813 CG PRO A 53 2.028 -1.826 8.068 1.00 43.44 C ATOM 814 CD PRO A 53 0.924 -1.622 9.079 1.00 33.03 C ATOM 0 HA PRO A 53 1.339 1.430 7.889 1.00 34.41 H new ATOM 0 HB2 PRO A 53 2.872 -0.475 6.628 1.00 11.34 H new ATOM 0 HB3 PRO A 53 3.214 -0.050 8.294 1.00 11.34 H new ATOM 0 HG2 PRO A 53 1.676 -2.413 7.220 1.00 43.44 H new ATOM 0 HG3 PRO A 53 2.864 -2.370 8.508 1.00 43.44 H new ATOM 0 HD2 PRO A 53 0.161 -2.396 9.002 1.00 33.03 H new ATOM 0 HD3 PRO A 53 1.304 -1.650 10.100 1.00 33.03 H new ATOM 822 N TRP A 54 -0.300 1.418 6.031 1.00 12.14 N ATOM 823 CA TRP A 54 -1.100 1.506 4.799 1.00 3.32 C ATOM 824 C TRP A 54 -0.252 1.959 3.604 1.00 40.15 C ATOM 825 O TRP A 54 -0.536 1.625 2.454 1.00 41.14 O ATOM 826 CB TRP A 54 -2.280 2.469 5.013 1.00 54.11 C ATOM 827 CG TRP A 54 -1.878 3.813 5.571 1.00 31.13 C ATOM 828 CD1 TRP A 54 -1.803 4.163 6.892 1.00 31.24 C ATOM 829 CD2 TRP A 54 -1.508 4.983 4.829 1.00 43.22 C ATOM 830 NE1 TRP A 54 -1.401 5.472 7.011 1.00 15.22 N ATOM 831 CE2 TRP A 54 -1.217 5.998 5.759 1.00 2.52 C ATOM 832 CE3 TRP A 54 -1.396 5.270 3.465 1.00 10.30 C ATOM 833 CZ2 TRP A 54 -0.815 7.273 5.369 1.00 4.23 C ATOM 834 CZ3 TRP A 54 -0.997 6.536 3.080 1.00 11.54 C ATOM 835 CH2 TRP A 54 -0.713 7.525 4.028 1.00 4.54 C ATOM 0 H TRP A 54 -0.356 2.246 6.624 1.00 12.14 H new ATOM 0 HA TRP A 54 -1.481 0.510 4.571 1.00 3.32 H new ATOM 0 HB2 TRP A 54 -2.791 2.619 4.062 1.00 54.11 H new ATOM 0 HB3 TRP A 54 -2.997 2.005 5.690 1.00 54.11 H new ATOM 0 HD1 TRP A 54 -2.027 3.507 7.720 1.00 31.24 H new ATOM 0 HE1 TRP A 54 -1.262 5.971 7.889 1.00 15.22 H new ATOM 0 HE3 TRP A 54 -1.618 4.515 2.725 1.00 10.30 H new ATOM 0 HZ2 TRP A 54 -0.592 8.036 6.100 1.00 4.23 H new ATOM 0 HZ3 TRP A 54 -0.903 6.766 2.029 1.00 11.54 H new ATOM 0 HH2 TRP A 54 -0.407 8.506 3.695 1.00 4.54 H new ATOM 846 N PHE A 55 0.804 2.701 3.896 1.00 13.52 N ATOM 847 CA PHE A 55 1.683 3.269 2.871 1.00 11.15 C ATOM 848 C PHE A 55 2.404 2.202 2.014 1.00 23.51 C ATOM 849 O PHE A 55 2.954 2.525 0.965 1.00 32.14 O ATOM 850 CB PHE A 55 2.705 4.199 3.539 1.00 31.53 C ATOM 851 CG PHE A 55 3.306 3.630 4.802 1.00 22.44 C ATOM 852 CD1 PHE A 55 4.368 2.741 4.747 1.00 71.33 C ATOM 853 CD2 PHE A 55 2.803 3.987 6.047 1.00 73.10 C ATOM 854 CE1 PHE A 55 4.916 2.223 5.904 1.00 43.31 C ATOM 855 CE2 PHE A 55 3.349 3.471 7.205 1.00 54.35 C ATOM 856 CZ PHE A 55 4.406 2.588 7.133 1.00 5.24 C ATOM 0 H PHE A 55 1.081 2.930 4.850 1.00 13.52 H new ATOM 0 HA PHE A 55 1.051 3.829 2.181 1.00 11.15 H new ATOM 0 HB2 PHE A 55 3.505 4.414 2.831 1.00 31.53 H new ATOM 0 HB3 PHE A 55 2.222 5.148 3.772 1.00 31.53 H new ATOM 0 HD1 PHE A 55 4.772 2.450 3.788 1.00 71.33 H new ATOM 0 HD2 PHE A 55 1.974 4.677 6.109 1.00 73.10 H new ATOM 0 HE1 PHE A 55 5.744 1.532 5.847 1.00 43.31 H new ATOM 0 HE2 PHE A 55 2.949 3.758 8.166 1.00 54.35 H new ATOM 0 HZ PHE A 55 4.834 2.183 8.038 1.00 5.24 H new ATOM 866 N ARG A 56 2.396 0.940 2.448 1.00 0.44 N ATOM 867 CA ARG A 56 3.091 -0.132 1.708 1.00 12.24 C ATOM 868 C ARG A 56 2.215 -0.750 0.603 1.00 34.13 C ATOM 869 O ARG A 56 2.626 -1.701 -0.069 1.00 61.22 O ATOM 870 CB ARG A 56 3.569 -1.229 2.674 1.00 5.45 C ATOM 871 CG ARG A 56 4.638 -0.757 3.657 1.00 42.04 C ATOM 872 CD ARG A 56 5.129 -1.889 4.556 1.00 12.22 C ATOM 873 NE ARG A 56 6.130 -1.426 5.512 1.00 1.00 N ATOM 874 CZ ARG A 56 6.393 -2.010 6.649 1.00 72.32 C ATOM 875 NH1 ARG A 56 5.815 -3.119 6.979 1.00 74.22 N ATOM 876 NH2 ARG A 56 7.266 -1.491 7.443 1.00 23.54 N ATOM 0 H ARG A 56 1.924 0.631 3.297 1.00 0.44 H new ATOM 0 HA ARG A 56 3.952 0.327 1.222 1.00 12.24 H new ATOM 0 HB2 ARG A 56 2.713 -1.606 3.234 1.00 5.45 H new ATOM 0 HB3 ARG A 56 3.963 -2.064 2.095 1.00 5.45 H new ATOM 0 HG2 ARG A 56 5.481 -0.342 3.104 1.00 42.04 H new ATOM 0 HG3 ARG A 56 4.234 0.046 4.273 1.00 42.04 H new ATOM 0 HD2 ARG A 56 4.284 -2.319 5.094 1.00 12.22 H new ATOM 0 HD3 ARG A 56 5.553 -2.683 3.942 1.00 12.22 H new ATOM 0 HE ARG A 56 6.661 -0.588 5.275 1.00 1.00 H new ATOM 0 HH11 ARG A 56 5.142 -3.551 6.346 1.00 74.22 H new ATOM 0 HH12 ARG A 56 6.033 -3.562 7.872 1.00 74.22 H new ATOM 0 HH21 ARG A 56 7.746 -0.630 7.181 1.00 23.54 H new ATOM 0 HH22 ARG A 56 7.477 -1.941 8.333 1.00 23.54 H new ATOM 890 N VAL A 57 1.013 -0.213 0.407 1.00 34.13 N ATOM 891 CA VAL A 57 0.099 -0.735 -0.615 1.00 3.53 C ATOM 892 C VAL A 57 -0.192 0.310 -1.710 1.00 40.21 C ATOM 893 O VAL A 57 -0.657 1.417 -1.429 1.00 1.23 O ATOM 894 CB VAL A 57 -1.235 -1.207 0.013 1.00 40.14 C ATOM 895 CG1 VAL A 57 -2.101 -1.922 -1.026 1.00 2.24 C ATOM 896 CG2 VAL A 57 -0.978 -2.111 1.218 1.00 73.42 C ATOM 0 H VAL A 57 0.648 0.578 0.937 1.00 34.13 H new ATOM 0 HA VAL A 57 0.599 -1.588 -1.074 1.00 3.53 H new ATOM 0 HB VAL A 57 -1.777 -0.327 0.359 1.00 40.14 H new ATOM 0 HG11 VAL A 57 -3.033 -2.245 -0.563 1.00 2.24 H new ATOM 0 HG12 VAL A 57 -2.321 -1.240 -1.847 1.00 2.24 H new ATOM 0 HG13 VAL A 57 -1.566 -2.791 -1.409 1.00 2.24 H new ATOM 0 HG21 VAL A 57 -1.930 -2.430 1.643 1.00 73.42 H new ATOM 0 HG22 VAL A 57 -0.410 -2.986 0.902 1.00 73.42 H new ATOM 0 HG23 VAL A 57 -0.411 -1.562 1.970 1.00 73.42 H new ATOM 906 N ILE A 58 0.089 -0.058 -2.961 1.00 12.13 N ATOM 907 CA ILE A 58 -0.151 0.813 -4.123 1.00 52.34 C ATOM 908 C ILE A 58 -0.991 0.093 -5.198 1.00 43.21 C ATOM 909 O ILE A 58 -1.500 -1.006 -4.967 1.00 31.13 O ATOM 910 CB ILE A 58 1.187 1.302 -4.742 1.00 1.50 C ATOM 911 CG1 ILE A 58 2.094 0.108 -5.092 1.00 32.20 C ATOM 912 CG2 ILE A 58 1.897 2.268 -3.791 1.00 34.53 C ATOM 913 CD1 ILE A 58 3.430 0.504 -5.689 1.00 45.22 C ATOM 0 H ILE A 58 0.489 -0.965 -3.202 1.00 12.13 H new ATOM 0 HA ILE A 58 -0.710 1.679 -3.767 1.00 52.34 H new ATOM 0 HB ILE A 58 0.964 1.837 -5.665 1.00 1.50 H new ATOM 0 HG12 ILE A 58 2.270 -0.478 -4.190 1.00 32.20 H new ATOM 0 HG13 ILE A 58 1.570 -0.539 -5.796 1.00 32.20 H new ATOM 0 HG21 ILE A 58 2.832 2.600 -4.241 1.00 34.53 H new ATOM 0 HG22 ILE A 58 1.258 3.131 -3.605 1.00 34.53 H new ATOM 0 HG23 ILE A 58 2.107 1.762 -2.849 1.00 34.53 H new ATOM 0 HD11 ILE A 58 4.011 -0.392 -5.908 1.00 45.22 H new ATOM 0 HD12 ILE A 58 3.266 1.064 -6.610 1.00 45.22 H new ATOM 0 HD13 ILE A 58 3.976 1.125 -4.979 1.00 45.22 H new ATOM 925 N ASN A 59 -1.155 0.714 -6.367 1.00 34.51 N ATOM 926 CA ASN A 59 -1.986 0.129 -7.432 1.00 40.23 C ATOM 927 C ASN A 59 -1.168 -0.774 -8.377 1.00 2.42 C ATOM 928 O ASN A 59 0.059 -0.833 -8.295 1.00 4.04 O ATOM 929 CB ASN A 59 -2.716 1.232 -8.220 1.00 61.11 C ATOM 930 CG ASN A 59 -1.779 2.243 -8.861 1.00 35.52 C ATOM 931 OD1 ASN A 59 -0.667 1.919 -9.264 1.00 50.22 O ATOM 932 ND2 ASN A 59 -2.226 3.479 -8.959 1.00 73.10 N ATOM 0 H ASN A 59 -0.731 1.611 -6.603 1.00 34.51 H new ATOM 0 HA ASN A 59 -2.731 -0.505 -6.951 1.00 40.23 H new ATOM 0 HB2 ASN A 59 -3.325 0.770 -8.997 1.00 61.11 H new ATOM 0 HB3 ASN A 59 -3.398 1.755 -7.550 1.00 61.11 H new ATOM 0 HD21 ASN A 59 -1.641 4.201 -9.381 1.00 73.10 H new ATOM 0 HD22 ASN A 59 -3.156 3.714 -8.613 1.00 73.10 H new ATOM 939 N SER A 60 -1.866 -1.469 -9.283 1.00 13.12 N ATOM 940 CA SER A 60 -1.236 -2.441 -10.201 1.00 72.11 C ATOM 941 C SER A 60 -0.232 -1.783 -11.158 1.00 53.41 C ATOM 942 O SER A 60 0.589 -2.462 -11.771 1.00 35.23 O ATOM 943 CB SER A 60 -2.311 -3.168 -11.023 1.00 32.53 C ATOM 944 OG SER A 60 -3.251 -3.826 -10.186 1.00 53.03 O ATOM 0 H SER A 60 -2.875 -1.379 -9.405 1.00 13.12 H new ATOM 0 HA SER A 60 -0.690 -3.150 -9.579 1.00 72.11 H new ATOM 0 HB2 SER A 60 -2.829 -2.452 -11.661 1.00 32.53 H new ATOM 0 HB3 SER A 60 -1.837 -3.896 -11.681 1.00 32.53 H new ATOM 0 HG SER A 60 -3.922 -4.277 -10.739 1.00 53.03 H new ATOM 950 N GLN A 61 -0.307 -0.463 -11.283 1.00 43.42 N ATOM 951 CA GLN A 61 0.564 0.287 -12.194 1.00 33.43 C ATOM 952 C GLN A 61 1.879 0.696 -11.513 1.00 53.12 C ATOM 953 O GLN A 61 2.758 1.290 -12.142 1.00 33.44 O ATOM 954 CB GLN A 61 -0.175 1.535 -12.691 1.00 64.31 C ATOM 955 CG GLN A 61 -1.524 1.226 -13.332 1.00 15.22 C ATOM 956 CD GLN A 61 -2.317 2.473 -13.683 1.00 73.11 C ATOM 957 OE1 GLN A 61 -1.759 3.523 -13.995 1.00 24.11 O ATOM 958 NE2 GLN A 61 -3.626 2.369 -13.622 1.00 22.31 N ATOM 0 H GLN A 61 -0.965 0.117 -10.763 1.00 43.42 H new ATOM 0 HA GLN A 61 0.814 -0.359 -13.035 1.00 33.43 H new ATOM 0 HB2 GLN A 61 -0.327 2.216 -11.853 1.00 64.31 H new ATOM 0 HB3 GLN A 61 0.452 2.055 -13.415 1.00 64.31 H new ATOM 0 HG2 GLN A 61 -1.364 0.638 -14.236 1.00 15.22 H new ATOM 0 HG3 GLN A 61 -2.110 0.610 -12.651 1.00 15.22 H new ATOM 0 HE21 GLN A 61 -4.055 1.482 -13.359 1.00 22.31 H new ATOM 0 HE22 GLN A 61 -4.212 3.175 -13.837 1.00 22.31 H new ATOM 967 N GLY A 62 2.009 0.374 -10.228 1.00 52.14 N ATOM 968 CA GLY A 62 3.179 0.792 -9.464 1.00 51.52 C ATOM 969 C GLY A 62 3.178 2.285 -9.175 1.00 64.23 C ATOM 970 O GLY A 62 4.210 2.948 -9.259 1.00 40.23 O ATOM 0 H GLY A 62 1.326 -0.169 -9.700 1.00 52.14 H new ATOM 0 HA2 GLY A 62 3.211 0.242 -8.523 1.00 51.52 H new ATOM 0 HA3 GLY A 62 4.082 0.532 -10.016 1.00 51.52 H new ATOM 974 N LYS A 63 2.005 2.813 -8.842 1.00 20.43 N ATOM 975 CA LYS A 63 1.836 4.244 -8.582 1.00 50.52 C ATOM 976 C LYS A 63 1.088 4.489 -7.264 1.00 14.44 C ATOM 977 O LYS A 63 0.322 3.640 -6.798 1.00 42.34 O ATOM 978 CB LYS A 63 1.058 4.889 -9.735 1.00 71.00 C ATOM 979 CG LYS A 63 1.715 4.716 -11.103 1.00 53.12 C ATOM 980 CD LYS A 63 0.824 5.238 -12.229 1.00 31.54 C ATOM 981 CE LYS A 63 1.419 4.957 -13.604 1.00 23.22 C ATOM 982 NZ LYS A 63 0.515 5.392 -14.699 1.00 14.13 N ATOM 0 H LYS A 63 1.148 2.268 -8.744 1.00 20.43 H new ATOM 0 HA LYS A 63 2.827 4.691 -8.502 1.00 50.52 H new ATOM 0 HB2 LYS A 63 0.056 4.461 -9.768 1.00 71.00 H new ATOM 0 HB3 LYS A 63 0.943 5.954 -9.531 1.00 71.00 H new ATOM 0 HG2 LYS A 63 2.668 5.245 -11.118 1.00 53.12 H new ATOM 0 HG3 LYS A 63 1.933 3.661 -11.271 1.00 53.12 H new ATOM 0 HD2 LYS A 63 -0.160 4.774 -12.158 1.00 31.54 H new ATOM 0 HD3 LYS A 63 0.679 6.312 -12.109 1.00 31.54 H new ATOM 0 HE2 LYS A 63 2.376 5.471 -13.697 1.00 23.22 H new ATOM 0 HE3 LYS A 63 1.620 3.890 -13.701 1.00 23.22 H new ATOM 0 HZ1 LYS A 63 0.971 5.214 -15.617 1.00 14.13 H new ATOM 0 HZ2 LYS A 63 -0.376 4.859 -14.646 1.00 14.13 H new ATOM 0 HZ3 LYS A 63 0.316 6.408 -14.602 1.00 14.13 H new ATOM 996 N ILE A 64 1.311 5.659 -6.669 1.00 5.24 N ATOM 997 CA ILE A 64 0.607 6.054 -5.445 1.00 14.53 C ATOM 998 C ILE A 64 -0.830 6.512 -5.759 1.00 25.21 C ATOM 999 O ILE A 64 -1.052 7.324 -6.660 1.00 33.33 O ATOM 1000 CB ILE A 64 1.372 7.180 -4.697 1.00 74.44 C ATOM 1001 CG1 ILE A 64 2.744 6.666 -4.221 1.00 74.22 C ATOM 1002 CG2 ILE A 64 0.551 7.713 -3.523 1.00 71.33 C ATOM 1003 CD1 ILE A 64 3.572 7.701 -3.480 1.00 51.13 C ATOM 0 H ILE A 64 1.974 6.353 -7.013 1.00 5.24 H new ATOM 0 HA ILE A 64 0.561 5.179 -4.797 1.00 14.53 H new ATOM 0 HB ILE A 64 1.534 8.006 -5.390 1.00 74.44 H new ATOM 0 HG12 ILE A 64 2.591 5.805 -3.570 1.00 74.22 H new ATOM 0 HG13 ILE A 64 3.308 6.316 -5.085 1.00 74.22 H new ATOM 0 HG21 ILE A 64 1.109 8.500 -3.016 1.00 71.33 H new ATOM 0 HG22 ILE A 64 -0.392 8.117 -3.892 1.00 71.33 H new ATOM 0 HG23 ILE A 64 0.349 6.903 -2.822 1.00 71.33 H new ATOM 0 HD11 ILE A 64 4.522 7.259 -3.179 1.00 51.13 H new ATOM 0 HD12 ILE A 64 3.759 8.553 -4.133 1.00 51.13 H new ATOM 0 HD13 ILE A 64 3.030 8.034 -2.595 1.00 51.13 H new ATOM 1015 N SER A 65 -1.799 5.976 -5.017 1.00 14.12 N ATOM 1016 CA SER A 65 -3.216 6.312 -5.228 1.00 74.52 C ATOM 1017 C SER A 65 -3.554 7.720 -4.732 1.00 34.45 C ATOM 1018 O SER A 65 -4.311 8.449 -5.376 1.00 55.21 O ATOM 1019 CB SER A 65 -4.125 5.297 -4.528 1.00 30.34 C ATOM 1020 OG SER A 65 -3.946 3.998 -5.066 1.00 30.01 O ATOM 0 H SER A 65 -1.634 5.308 -4.264 1.00 14.12 H new ATOM 0 HA SER A 65 -3.389 6.278 -6.304 1.00 74.52 H new ATOM 0 HB2 SER A 65 -3.908 5.285 -3.460 1.00 30.34 H new ATOM 0 HB3 SER A 65 -5.166 5.600 -4.638 1.00 30.34 H new ATOM 0 HG SER A 65 -3.895 3.346 -4.336 1.00 30.01 H new ATOM 1026 N LEU A 66 -3.008 8.088 -3.577 1.00 10.30 N ATOM 1027 CA LEU A 66 -3.222 9.421 -3.006 1.00 42.33 C ATOM 1028 C LEU A 66 -2.435 10.483 -3.790 1.00 61.14 C ATOM 1029 O LEU A 66 -1.350 10.212 -4.300 1.00 74.30 O ATOM 1030 CB LEU A 66 -2.812 9.428 -1.526 1.00 24.25 C ATOM 1031 CG LEU A 66 -3.595 8.451 -0.629 1.00 23.30 C ATOM 1032 CD1 LEU A 66 -3.074 8.494 0.805 1.00 35.24 C ATOM 1033 CD2 LEU A 66 -5.092 8.759 -0.667 1.00 13.01 C ATOM 0 H LEU A 66 -2.411 7.482 -3.014 1.00 10.30 H new ATOM 0 HA LEU A 66 -4.282 9.666 -3.079 1.00 42.33 H new ATOM 0 HB2 LEU A 66 -1.751 9.189 -1.457 1.00 24.25 H new ATOM 0 HB3 LEU A 66 -2.938 10.437 -1.134 1.00 24.25 H new ATOM 0 HG LEU A 66 -3.444 7.443 -1.016 1.00 23.30 H new ATOM 0 HD11 LEU A 66 -3.642 7.796 1.420 1.00 35.24 H new ATOM 0 HD12 LEU A 66 -2.021 8.214 0.818 1.00 35.24 H new ATOM 0 HD13 LEU A 66 -3.187 9.502 1.203 1.00 35.24 H new ATOM 0 HD21 LEU A 66 -5.624 8.056 -0.026 1.00 13.01 H new ATOM 0 HD22 LEU A 66 -5.263 9.775 -0.312 1.00 13.01 H new ATOM 0 HD23 LEU A 66 -5.457 8.665 -1.690 1.00 13.01 H new ATOM 1045 N LYS A 67 -2.990 11.686 -3.896 1.00 54.00 N ATOM 1046 CA LYS A 67 -2.369 12.754 -4.690 1.00 40.13 C ATOM 1047 C LYS A 67 -1.949 13.951 -3.822 1.00 54.24 C ATOM 1048 O LYS A 67 -2.474 14.160 -2.726 1.00 22.41 O ATOM 1049 CB LYS A 67 -3.340 13.216 -5.785 1.00 52.11 C ATOM 1050 CG LYS A 67 -3.791 12.089 -6.711 1.00 41.35 C ATOM 1051 CD LYS A 67 -4.793 12.574 -7.755 1.00 73.35 C ATOM 1052 CE LYS A 67 -5.270 11.436 -8.655 1.00 24.10 C ATOM 1053 NZ LYS A 67 -6.238 11.907 -9.681 1.00 44.34 N ATOM 0 H LYS A 67 -3.866 11.951 -3.446 1.00 54.00 H new ATOM 0 HA LYS A 67 -1.465 12.347 -5.143 1.00 40.13 H new ATOM 0 HB2 LYS A 67 -4.216 13.665 -5.317 1.00 52.11 H new ATOM 0 HB3 LYS A 67 -2.862 13.995 -6.379 1.00 52.11 H new ATOM 0 HG2 LYS A 67 -2.922 11.662 -7.213 1.00 41.35 H new ATOM 0 HG3 LYS A 67 -4.241 11.292 -6.119 1.00 41.35 H new ATOM 0 HD2 LYS A 67 -5.650 13.025 -7.254 1.00 73.35 H new ATOM 0 HD3 LYS A 67 -4.334 13.352 -8.365 1.00 73.35 H new ATOM 0 HE2 LYS A 67 -4.412 10.980 -9.148 1.00 24.10 H new ATOM 0 HE3 LYS A 67 -5.736 10.662 -8.045 1.00 24.10 H new ATOM 0 HZ1 LYS A 67 -6.537 11.104 -10.271 1.00 44.34 H new ATOM 0 HZ2 LYS A 67 -7.069 12.320 -9.211 1.00 44.34 H new ATOM 0 HZ3 LYS A 67 -5.786 12.627 -10.280 1.00 44.34 H new ATOM 1067 N GLY A 68 -0.990 14.726 -4.326 1.00 74.51 N ATOM 1068 CA GLY A 68 -0.536 15.930 -3.637 1.00 32.40 C ATOM 1069 C GLY A 68 0.114 15.662 -2.279 1.00 43.35 C ATOM 1070 O GLY A 68 1.070 14.894 -2.175 1.00 44.14 O ATOM 0 H GLY A 68 -0.513 14.541 -5.209 1.00 74.51 H new ATOM 0 HA2 GLY A 68 0.178 16.453 -4.273 1.00 32.40 H new ATOM 0 HA3 GLY A 68 -1.386 16.598 -3.496 1.00 32.40 H new ATOM 1074 N ARG A 69 -0.416 16.298 -1.235 1.00 0.34 N ATOM 1075 CA ARG A 69 0.133 16.176 0.122 1.00 30.14 C ATOM 1076 C ARG A 69 0.084 14.728 0.634 1.00 31.44 C ATOM 1077 O ARG A 69 1.067 14.211 1.168 1.00 11.12 O ATOM 1078 CB ARG A 69 -0.636 17.098 1.076 1.00 41.34 C ATOM 1079 CG ARG A 69 -0.402 18.586 0.820 1.00 74.32 C ATOM 1080 CD ARG A 69 -1.299 19.455 1.691 1.00 12.22 C ATOM 1081 NE ARG A 69 -1.269 19.039 3.092 1.00 72.32 N ATOM 1082 CZ ARG A 69 -1.510 19.824 4.103 1.00 70.45 C ATOM 1083 NH1 ARG A 69 -1.701 21.092 3.933 1.00 63.34 N ATOM 1084 NH2 ARG A 69 -1.530 19.333 5.298 1.00 1.14 N ATOM 0 H ARG A 69 -1.231 16.908 -1.301 1.00 0.34 H new ATOM 0 HA ARG A 69 1.181 16.474 0.086 1.00 30.14 H new ATOM 0 HB2 ARG A 69 -1.702 16.887 0.989 1.00 41.34 H new ATOM 0 HB3 ARG A 69 -0.348 16.866 2.101 1.00 41.34 H new ATOM 0 HG2 ARG A 69 0.642 18.829 1.016 1.00 74.32 H new ATOM 0 HG3 ARG A 69 -0.589 18.808 -0.231 1.00 74.32 H new ATOM 0 HD2 ARG A 69 -0.982 20.495 1.614 1.00 12.22 H new ATOM 0 HD3 ARG A 69 -2.323 19.406 1.320 1.00 12.22 H new ATOM 0 HE ARG A 69 -1.043 18.065 3.292 1.00 72.32 H new ATOM 0 HH11 ARG A 69 -1.664 21.492 2.995 1.00 63.34 H new ATOM 0 HH12 ARG A 69 -1.889 21.692 4.736 1.00 63.34 H new ATOM 0 HH21 ARG A 69 -1.358 18.338 5.444 1.00 1.14 H new ATOM 0 HH22 ARG A 69 -1.718 19.940 6.096 1.00 1.14 H new ATOM 1098 N ASP A 70 -1.064 14.078 0.464 1.00 61.41 N ATOM 1099 CA ASP A 70 -1.234 12.687 0.891 1.00 20.35 C ATOM 1100 C ASP A 70 -0.286 11.747 0.118 1.00 61.54 C ATOM 1101 O ASP A 70 0.141 10.713 0.637 1.00 14.03 O ATOM 1102 CB ASP A 70 -2.691 12.264 0.699 1.00 11.31 C ATOM 1103 CG ASP A 70 -3.652 13.179 1.436 1.00 3.45 C ATOM 1104 OD1 ASP A 70 -3.859 12.982 2.651 1.00 11.40 O ATOM 1105 OD2 ASP A 70 -4.197 14.109 0.806 1.00 0.31 O ATOM 0 H ASP A 70 -1.892 14.490 0.034 1.00 61.41 H new ATOM 0 HA ASP A 70 -0.978 12.614 1.948 1.00 20.35 H new ATOM 0 HB2 ASP A 70 -2.932 12.266 -0.364 1.00 11.31 H new ATOM 0 HB3 ASP A 70 -2.821 11.241 1.053 1.00 11.31 H new ATOM 1110 N LEU A 71 0.041 12.124 -1.121 1.00 73.34 N ATOM 1111 CA LEU A 71 1.007 11.375 -1.940 1.00 51.11 C ATOM 1112 C LEU A 71 2.400 11.409 -1.293 1.00 50.13 C ATOM 1113 O LEU A 71 3.018 10.366 -1.062 1.00 14.33 O ATOM 1114 CB LEU A 71 1.048 11.966 -3.367 1.00 61.52 C ATOM 1115 CG LEU A 71 1.890 11.203 -4.419 1.00 54.11 C ATOM 1116 CD1 LEU A 71 1.436 11.563 -5.834 1.00 75.04 C ATOM 1117 CD2 LEU A 71 3.385 11.495 -4.265 1.00 40.30 C ATOM 0 H LEU A 71 -0.349 12.946 -1.583 1.00 73.34 H new ATOM 0 HA LEU A 71 0.692 10.333 -2.002 1.00 51.11 H new ATOM 0 HB2 LEU A 71 0.024 12.033 -3.736 1.00 61.52 H new ATOM 0 HB3 LEU A 71 1.430 12.985 -3.301 1.00 61.52 H new ATOM 0 HG LEU A 71 1.733 10.138 -4.250 1.00 54.11 H new ATOM 0 HD11 LEU A 71 2.039 11.017 -6.560 1.00 75.04 H new ATOM 0 HD12 LEU A 71 0.387 11.295 -5.959 1.00 75.04 H new ATOM 0 HD13 LEU A 71 1.558 12.634 -5.994 1.00 75.04 H new ATOM 0 HD21 LEU A 71 3.943 10.942 -5.020 1.00 40.30 H new ATOM 0 HD22 LEU A 71 3.562 12.563 -4.392 1.00 40.30 H new ATOM 0 HD23 LEU A 71 3.715 11.188 -3.273 1.00 40.30 H new ATOM 1129 N ASP A 72 2.885 12.616 -0.997 1.00 30.12 N ATOM 1130 CA ASP A 72 4.204 12.784 -0.383 1.00 54.40 C ATOM 1131 C ASP A 72 4.263 12.116 1.000 1.00 2.30 C ATOM 1132 O ASP A 72 5.318 11.657 1.425 1.00 54.51 O ATOM 1133 CB ASP A 72 4.561 14.270 -0.273 1.00 54.11 C ATOM 1134 CG ASP A 72 6.009 14.495 0.140 1.00 23.34 C ATOM 1135 OD1 ASP A 72 6.923 14.014 -0.570 1.00 13.53 O ATOM 1136 OD2 ASP A 72 6.242 15.176 1.160 1.00 64.43 O ATOM 0 H ASP A 72 2.387 13.489 -1.172 1.00 30.12 H new ATOM 0 HA ASP A 72 4.936 12.295 -1.026 1.00 54.40 H new ATOM 0 HB2 ASP A 72 4.381 14.755 -1.232 1.00 54.11 H new ATOM 0 HB3 ASP A 72 3.902 14.746 0.453 1.00 54.11 H new ATOM 1141 N ARG A 73 3.126 12.061 1.699 1.00 14.33 N ATOM 1142 CA ARG A 73 3.046 11.347 2.980 1.00 22.02 C ATOM 1143 C ARG A 73 3.416 9.864 2.807 1.00 74.13 C ATOM 1144 O ARG A 73 4.378 9.380 3.408 1.00 23.21 O ATOM 1145 CB ARG A 73 1.638 11.467 3.587 1.00 42.32 C ATOM 1146 CG ARG A 73 1.472 10.710 4.906 1.00 74.20 C ATOM 1147 CD ARG A 73 0.043 10.778 5.432 1.00 1.10 C ATOM 1148 NE ARG A 73 -0.362 12.144 5.766 1.00 63.44 N ATOM 1149 CZ ARG A 73 -1.480 12.693 5.379 1.00 51.02 C ATOM 1150 NH1 ARG A 73 -2.312 12.041 4.626 1.00 74.01 N ATOM 1151 NH2 ARG A 73 -1.767 13.893 5.752 1.00 73.41 N ATOM 0 H ARG A 73 2.253 12.498 1.404 1.00 14.33 H new ATOM 0 HA ARG A 73 3.762 11.808 3.660 1.00 22.02 H new ATOM 0 HB2 ARG A 73 1.411 12.520 3.752 1.00 42.32 H new ATOM 0 HB3 ARG A 73 0.909 11.092 2.869 1.00 42.32 H new ATOM 0 HG2 ARG A 73 1.756 9.667 4.763 1.00 74.20 H new ATOM 0 HG3 ARG A 73 2.152 11.126 5.650 1.00 74.20 H new ATOM 0 HD2 ARG A 73 -0.637 10.373 4.683 1.00 1.10 H new ATOM 0 HD3 ARG A 73 -0.046 10.148 6.317 1.00 1.10 H new ATOM 0 HE ARG A 73 0.271 12.703 6.338 1.00 63.44 H new ATOM 0 HH11 ARG A 73 -2.094 11.089 4.331 1.00 74.01 H new ATOM 0 HH12 ARG A 73 -3.183 12.480 4.329 1.00 74.01 H new ATOM 0 HH21 ARG A 73 -1.121 14.410 6.348 1.00 73.41 H new ATOM 0 HH22 ARG A 73 -2.640 14.325 5.451 1.00 73.41 H new ATOM 1165 N GLN A 74 2.652 9.151 1.974 1.00 43.42 N ATOM 1166 CA GLN A 74 2.931 7.736 1.679 1.00 3.22 C ATOM 1167 C GLN A 74 4.366 7.556 1.151 1.00 52.24 C ATOM 1168 O GLN A 74 5.085 6.643 1.561 1.00 71.15 O ATOM 1169 CB GLN A 74 1.901 7.197 0.668 1.00 4.35 C ATOM 1170 CG GLN A 74 2.231 5.813 0.104 1.00 43.10 C ATOM 1171 CD GLN A 74 1.055 5.157 -0.610 1.00 31.43 C ATOM 1172 OE1 GLN A 74 0.167 5.823 -1.129 1.00 1.21 O ATOM 1173 NE2 GLN A 74 1.054 3.840 -0.658 1.00 41.12 N ATOM 0 H GLN A 74 1.836 9.527 1.491 1.00 43.42 H new ATOM 0 HA GLN A 74 2.845 7.164 2.603 1.00 3.22 H new ATOM 0 HB2 GLN A 74 0.924 7.156 1.150 1.00 4.35 H new ATOM 0 HB3 GLN A 74 1.819 7.902 -0.159 1.00 4.35 H new ATOM 0 HG2 GLN A 74 3.066 5.901 -0.591 1.00 43.10 H new ATOM 0 HG3 GLN A 74 2.560 5.166 0.917 1.00 43.10 H new ATOM 0 HE21 GLN A 74 1.807 3.313 -0.216 1.00 41.12 H new ATOM 0 HE22 GLN A 74 0.300 3.348 -1.137 1.00 41.12 H new ATOM 1182 N LYS A 75 4.769 8.454 0.257 1.00 70.24 N ATOM 1183 CA LYS A 75 6.132 8.479 -0.285 1.00 52.12 C ATOM 1184 C LYS A 75 7.193 8.555 0.833 1.00 14.00 C ATOM 1185 O LYS A 75 8.066 7.692 0.929 1.00 51.52 O ATOM 1186 CB LYS A 75 6.261 9.674 -1.245 1.00 13.33 C ATOM 1187 CG LYS A 75 7.693 10.113 -1.540 1.00 61.32 C ATOM 1188 CD LYS A 75 7.725 11.262 -2.545 1.00 51.43 C ATOM 1189 CE LYS A 75 9.064 11.985 -2.541 1.00 63.31 C ATOM 1190 NZ LYS A 75 9.326 12.645 -1.232 1.00 63.44 N ATOM 0 H LYS A 75 4.164 9.186 -0.115 1.00 70.24 H new ATOM 0 HA LYS A 75 6.313 7.550 -0.825 1.00 52.12 H new ATOM 0 HB2 LYS A 75 5.774 9.419 -2.186 1.00 13.33 H new ATOM 0 HB3 LYS A 75 5.717 10.520 -0.824 1.00 13.33 H new ATOM 0 HG2 LYS A 75 8.179 10.423 -0.615 1.00 61.32 H new ATOM 0 HG3 LYS A 75 8.261 9.269 -1.931 1.00 61.32 H new ATOM 0 HD2 LYS A 75 7.525 10.875 -3.544 1.00 51.43 H new ATOM 0 HD3 LYS A 75 6.930 11.970 -2.312 1.00 51.43 H new ATOM 0 HE2 LYS A 75 9.862 11.275 -2.758 1.00 63.31 H new ATOM 0 HE3 LYS A 75 9.077 12.732 -3.335 1.00 63.31 H new ATOM 0 HZ1 LYS A 75 10.069 13.364 -1.348 1.00 63.44 H new ATOM 0 HZ2 LYS A 75 8.455 13.099 -0.892 1.00 63.44 H new ATOM 0 HZ3 LYS A 75 9.638 11.933 -0.541 1.00 63.44 H new ATOM 1204 N GLN A 76 7.097 9.578 1.684 1.00 42.44 N ATOM 1205 CA GLN A 76 8.064 9.790 2.772 1.00 21.52 C ATOM 1206 C GLN A 76 8.124 8.592 3.737 1.00 41.42 C ATOM 1207 O GLN A 76 9.197 8.231 4.226 1.00 13.12 O ATOM 1208 CB GLN A 76 7.723 11.071 3.548 1.00 4.12 C ATOM 1209 CG GLN A 76 7.966 12.353 2.760 1.00 61.45 C ATOM 1210 CD GLN A 76 7.670 13.604 3.573 1.00 1.22 C ATOM 1211 OE1 GLN A 76 6.826 13.602 4.464 1.00 54.40 O ATOM 1212 NE2 GLN A 76 8.364 14.681 3.277 1.00 23.24 N ATOM 0 H GLN A 76 6.356 10.278 1.643 1.00 42.44 H new ATOM 0 HA GLN A 76 9.047 9.893 2.313 1.00 21.52 H new ATOM 0 HB2 GLN A 76 6.676 11.034 3.849 1.00 4.12 H new ATOM 0 HB3 GLN A 76 8.317 11.100 4.462 1.00 4.12 H new ATOM 0 HG2 GLN A 76 9.003 12.378 2.425 1.00 61.45 H new ATOM 0 HG3 GLN A 76 7.343 12.349 1.866 1.00 61.45 H new ATOM 0 HE21 GLN A 76 9.059 14.651 2.531 1.00 23.24 H new ATOM 0 HE22 GLN A 76 8.208 15.546 3.794 1.00 23.24 H new ATOM 1221 N LYS A 77 6.972 7.983 4.014 1.00 43.41 N ATOM 1222 CA LYS A 77 6.919 6.788 4.869 1.00 3.05 C ATOM 1223 C LYS A 77 7.778 5.654 4.283 1.00 53.10 C ATOM 1224 O LYS A 77 8.558 5.018 4.994 1.00 72.13 O ATOM 1225 CB LYS A 77 5.472 6.306 5.028 1.00 73.30 C ATOM 1226 CG LYS A 77 4.523 7.333 5.643 1.00 54.25 C ATOM 1227 CD LYS A 77 4.847 7.631 7.104 1.00 65.10 C ATOM 1228 CE LYS A 77 3.856 8.628 7.693 1.00 74.44 C ATOM 1229 NZ LYS A 77 4.059 8.848 9.149 1.00 52.43 N ATOM 0 H LYS A 77 6.065 8.292 3.663 1.00 43.41 H new ATOM 0 HA LYS A 77 7.317 7.060 5.847 1.00 3.05 H new ATOM 0 HB2 LYS A 77 5.089 6.018 4.049 1.00 73.30 H new ATOM 0 HB3 LYS A 77 5.468 5.410 5.648 1.00 73.30 H new ATOM 0 HG2 LYS A 77 4.572 8.258 5.068 1.00 54.25 H new ATOM 0 HG3 LYS A 77 3.499 6.966 5.569 1.00 54.25 H new ATOM 0 HD2 LYS A 77 4.824 6.706 7.681 1.00 65.10 H new ATOM 0 HD3 LYS A 77 5.858 8.030 7.181 1.00 65.10 H new ATOM 0 HE2 LYS A 77 3.950 9.579 7.170 1.00 74.44 H new ATOM 0 HE3 LYS A 77 2.841 8.269 7.522 1.00 74.44 H new ATOM 0 HZ1 LYS A 77 3.280 9.426 9.525 1.00 52.43 H new ATOM 0 HZ2 LYS A 77 4.078 7.931 9.639 1.00 52.43 H new ATOM 0 HZ3 LYS A 77 4.961 9.342 9.303 1.00 52.43 H new ATOM 1243 N LEU A 78 7.629 5.416 2.979 1.00 4.22 N ATOM 1244 CA LEU A 78 8.391 4.373 2.278 1.00 54.21 C ATOM 1245 C LEU A 78 9.872 4.759 2.125 1.00 60.34 C ATOM 1246 O LEU A 78 10.759 3.902 2.190 1.00 23.13 O ATOM 1247 CB LEU A 78 7.763 4.113 0.905 1.00 31.41 C ATOM 1248 CG LEU A 78 6.308 3.614 0.942 1.00 53.33 C ATOM 1249 CD1 LEU A 78 5.754 3.446 -0.469 1.00 70.25 C ATOM 1250 CD2 LEU A 78 6.207 2.304 1.724 1.00 44.45 C ATOM 0 H LEU A 78 6.984 5.933 2.381 1.00 4.22 H new ATOM 0 HA LEU A 78 8.351 3.462 2.875 1.00 54.21 H new ATOM 0 HB2 LEU A 78 7.801 5.034 0.324 1.00 31.41 H new ATOM 0 HB3 LEU A 78 8.371 3.378 0.377 1.00 31.41 H new ATOM 0 HG LEU A 78 5.705 4.364 1.453 1.00 53.33 H new ATOM 0 HD11 LEU A 78 4.724 3.092 -0.416 1.00 70.25 H new ATOM 0 HD12 LEU A 78 5.782 4.404 -0.987 1.00 70.25 H new ATOM 0 HD13 LEU A 78 6.359 2.721 -1.013 1.00 70.25 H new ATOM 0 HD21 LEU A 78 5.170 1.968 1.738 1.00 44.45 H new ATOM 0 HD22 LEU A 78 6.828 1.546 1.246 1.00 44.45 H new ATOM 0 HD23 LEU A 78 6.551 2.463 2.746 1.00 44.45 H new ATOM 1262 N GLU A 79 10.133 6.051 1.923 1.00 22.20 N ATOM 1263 CA GLU A 79 11.506 6.573 1.893 1.00 2.32 C ATOM 1264 C GLU A 79 12.262 6.190 3.175 1.00 1.10 C ATOM 1265 O GLU A 79 13.431 5.799 3.132 1.00 42.10 O ATOM 1266 CB GLU A 79 11.492 8.104 1.733 1.00 22.35 C ATOM 1267 CG GLU A 79 11.101 8.592 0.337 1.00 0.32 C ATOM 1268 CD GLU A 79 12.182 8.345 -0.703 1.00 54.01 C ATOM 1269 OE1 GLU A 79 13.374 8.564 -0.392 1.00 60.52 O ATOM 1270 OE2 GLU A 79 11.853 7.965 -1.847 1.00 1.43 O ATOM 0 H GLU A 79 9.413 6.759 1.777 1.00 22.20 H new ATOM 0 HA GLU A 79 12.019 6.130 1.040 1.00 2.32 H new ATOM 0 HB2 GLU A 79 10.798 8.526 2.459 1.00 22.35 H new ATOM 0 HB3 GLU A 79 12.482 8.491 1.976 1.00 22.35 H new ATOM 0 HG2 GLU A 79 10.184 8.091 0.026 1.00 0.32 H new ATOM 0 HG3 GLU A 79 10.882 9.659 0.379 1.00 0.32 H new ATOM 1277 N ALA A 80 11.574 6.281 4.314 1.00 71.40 N ATOM 1278 CA ALA A 80 12.160 5.930 5.616 1.00 11.25 C ATOM 1279 C ALA A 80 12.428 4.416 5.752 1.00 40.34 C ATOM 1280 O ALA A 80 13.036 3.970 6.723 1.00 4.42 O ATOM 1281 CB ALA A 80 11.250 6.409 6.742 1.00 62.41 C ATOM 0 H ALA A 80 10.605 6.596 4.365 1.00 71.40 H new ATOM 0 HA ALA A 80 13.125 6.433 5.685 1.00 11.25 H new ATOM 0 HB1 ALA A 80 11.691 6.145 7.703 1.00 62.41 H new ATOM 0 HB2 ALA A 80 11.134 7.491 6.681 1.00 62.41 H new ATOM 0 HB3 ALA A 80 10.274 5.934 6.648 1.00 62.41 H new ATOM 1287 N GLU A 81 11.955 3.629 4.785 1.00 44.10 N ATOM 1288 CA GLU A 81 12.200 2.179 4.768 1.00 3.32 C ATOM 1289 C GLU A 81 13.207 1.791 3.672 1.00 33.11 C ATOM 1290 O GLU A 81 13.480 0.607 3.450 1.00 63.03 O ATOM 1291 CB GLU A 81 10.876 1.427 4.570 1.00 1.41 C ATOM 1292 CG GLU A 81 9.816 1.795 5.605 1.00 14.31 C ATOM 1293 CD GLU A 81 8.578 0.913 5.562 1.00 54.44 C ATOM 1294 OE1 GLU A 81 8.412 0.130 4.606 1.00 1.02 O ATOM 1295 OE2 GLU A 81 7.765 0.993 6.508 1.00 33.14 O ATOM 0 H GLU A 81 11.399 3.968 4.000 1.00 44.10 H new ATOM 0 HA GLU A 81 12.633 1.897 5.728 1.00 3.32 H new ATOM 0 HB2 GLU A 81 10.490 1.639 3.573 1.00 1.41 H new ATOM 0 HB3 GLU A 81 11.064 0.354 4.617 1.00 1.41 H new ATOM 0 HG2 GLU A 81 10.258 1.735 6.600 1.00 14.31 H new ATOM 0 HG3 GLU A 81 9.517 2.832 5.451 1.00 14.31 H new ATOM 1302 N GLY A 82 13.758 2.796 2.991 1.00 3.51 N ATOM 1303 CA GLY A 82 14.760 2.552 1.957 1.00 34.21 C ATOM 1304 C GLY A 82 14.181 2.442 0.546 1.00 35.13 C ATOM 1305 O GLY A 82 14.906 2.144 -0.406 1.00 52.11 O ATOM 0 H GLY A 82 13.529 3.779 3.136 1.00 3.51 H new ATOM 0 HA2 GLY A 82 15.492 3.359 1.977 1.00 34.21 H new ATOM 0 HA3 GLY A 82 15.294 1.632 2.193 1.00 34.21 H new ATOM 1309 N ILE A 83 12.879 2.681 0.400 1.00 13.23 N ATOM 1310 CA ILE A 83 12.225 2.617 -0.914 1.00 64.01 C ATOM 1311 C ILE A 83 12.411 3.927 -1.699 1.00 53.14 C ATOM 1312 O ILE A 83 12.242 5.016 -1.156 1.00 21.44 O ATOM 1313 CB ILE A 83 10.711 2.308 -0.774 1.00 61.31 C ATOM 1314 CG1 ILE A 83 10.513 0.957 -0.065 1.00 51.00 C ATOM 1315 CG2 ILE A 83 10.020 2.310 -2.142 1.00 52.13 C ATOM 1316 CD1 ILE A 83 9.062 0.574 0.146 1.00 75.43 C ATOM 0 H ILE A 83 12.254 2.920 1.170 1.00 13.23 H new ATOM 0 HA ILE A 83 12.702 1.807 -1.466 1.00 64.01 H new ATOM 0 HB ILE A 83 10.253 3.092 -0.170 1.00 61.31 H new ATOM 0 HG12 ILE A 83 11.002 0.177 -0.649 1.00 51.00 H new ATOM 0 HG13 ILE A 83 11.013 0.990 0.903 1.00 51.00 H new ATOM 0 HG21 ILE A 83 8.960 2.091 -2.014 1.00 52.13 H new ATOM 0 HG22 ILE A 83 10.135 3.290 -2.606 1.00 52.13 H new ATOM 0 HG23 ILE A 83 10.473 1.551 -2.780 1.00 52.13 H new ATOM 0 HD11 ILE A 83 9.010 -0.390 0.651 1.00 75.43 H new ATOM 0 HD12 ILE A 83 8.571 1.331 0.757 1.00 75.43 H new ATOM 0 HD13 ILE A 83 8.560 0.505 -0.819 1.00 75.43 H new ATOM 1328 N GLU A 84 12.787 3.812 -2.972 1.00 42.13 N ATOM 1329 CA GLU A 84 12.978 4.984 -3.836 1.00 23.23 C ATOM 1330 C GLU A 84 11.695 5.327 -4.610 1.00 61.24 C ATOM 1331 O GLU A 84 11.401 4.726 -5.649 1.00 53.32 O ATOM 1332 CB GLU A 84 14.125 4.734 -4.825 1.00 55.33 C ATOM 1333 CG GLU A 84 15.424 4.269 -4.172 1.00 72.30 C ATOM 1334 CD GLU A 84 16.541 4.030 -5.179 1.00 55.24 C ATOM 1335 OE1 GLU A 84 16.243 3.647 -6.335 1.00 23.03 O ATOM 1336 OE2 GLU A 84 17.720 4.217 -4.821 1.00 42.23 O ATOM 0 H GLU A 84 12.966 2.919 -3.432 1.00 42.13 H new ATOM 0 HA GLU A 84 13.227 5.830 -3.195 1.00 23.23 H new ATOM 0 HB2 GLU A 84 13.808 3.985 -5.550 1.00 55.33 H new ATOM 0 HB3 GLU A 84 14.319 5.652 -5.379 1.00 55.33 H new ATOM 0 HG2 GLU A 84 15.748 5.016 -3.448 1.00 72.30 H new ATOM 0 HG3 GLU A 84 15.237 3.349 -3.619 1.00 72.30 H new ATOM 1343 N VAL A 85 10.928 6.286 -4.100 1.00 75.35 N ATOM 1344 CA VAL A 85 9.688 6.714 -4.755 1.00 4.02 C ATOM 1345 C VAL A 85 9.938 7.880 -5.729 1.00 25.52 C ATOM 1346 O VAL A 85 10.492 8.915 -5.349 1.00 34.21 O ATOM 1347 CB VAL A 85 8.625 7.141 -3.712 1.00 74.40 C ATOM 1348 CG1 VAL A 85 7.305 7.497 -4.392 1.00 53.53 C ATOM 1349 CG2 VAL A 85 8.420 6.045 -2.664 1.00 53.12 C ATOM 0 H VAL A 85 11.140 6.784 -3.235 1.00 75.35 H new ATOM 0 HA VAL A 85 9.316 5.858 -5.318 1.00 4.02 H new ATOM 0 HB VAL A 85 8.992 8.032 -3.203 1.00 74.40 H new ATOM 0 HG11 VAL A 85 6.576 7.793 -3.638 1.00 53.53 H new ATOM 0 HG12 VAL A 85 7.464 8.322 -5.087 1.00 53.53 H new ATOM 0 HG13 VAL A 85 6.931 6.630 -4.937 1.00 53.53 H new ATOM 0 HG21 VAL A 85 7.669 6.367 -1.942 1.00 53.12 H new ATOM 0 HG22 VAL A 85 8.083 5.131 -3.154 1.00 53.12 H new ATOM 0 HG23 VAL A 85 9.361 5.854 -2.148 1.00 53.12 H new ATOM 1359 N SER A 86 9.541 7.704 -6.988 1.00 32.33 N ATOM 1360 CA SER A 86 9.673 8.763 -7.999 1.00 51.31 C ATOM 1361 C SER A 86 8.746 9.948 -7.701 1.00 32.31 C ATOM 1362 O SER A 86 7.616 9.760 -7.239 1.00 62.32 O ATOM 1363 CB SER A 86 9.375 8.219 -9.399 1.00 2.41 C ATOM 1364 OG SER A 86 9.452 9.245 -10.378 1.00 53.13 O ATOM 0 H SER A 86 9.125 6.840 -7.337 1.00 32.33 H new ATOM 0 HA SER A 86 10.704 9.115 -7.962 1.00 51.31 H new ATOM 0 HB2 SER A 86 10.084 7.427 -9.642 1.00 2.41 H new ATOM 0 HB3 SER A 86 8.381 7.773 -9.414 1.00 2.41 H new ATOM 0 HG SER A 86 9.259 8.869 -11.262 1.00 53.13 H new ATOM 1370 N GLU A 87 9.233 11.156 -8.012 1.00 64.04 N ATOM 1371 CA GLU A 87 8.563 12.427 -7.674 1.00 34.22 C ATOM 1372 C GLU A 87 7.037 12.412 -7.895 1.00 64.21 C ATOM 1373 O GLU A 87 6.273 12.806 -7.015 1.00 75.45 O ATOM 1374 CB GLU A 87 9.195 13.566 -8.490 1.00 61.32 C ATOM 1375 CG GLU A 87 9.200 13.315 -9.998 1.00 2.40 C ATOM 1376 CD GLU A 87 9.964 14.376 -10.774 1.00 2.11 C ATOM 1377 OE1 GLU A 87 9.354 15.392 -11.164 1.00 31.43 O ATOM 1378 OE2 GLU A 87 11.183 14.199 -10.998 1.00 40.41 O ATOM 0 H GLU A 87 10.113 11.284 -8.511 1.00 64.04 H new ATOM 0 HA GLU A 87 8.710 12.581 -6.605 1.00 34.22 H new ATOM 0 HB2 GLU A 87 8.654 14.490 -8.287 1.00 61.32 H new ATOM 0 HB3 GLU A 87 10.220 13.717 -8.153 1.00 61.32 H new ATOM 0 HG2 GLU A 87 9.642 12.339 -10.197 1.00 2.40 H new ATOM 0 HG3 GLU A 87 8.172 13.279 -10.358 1.00 2.40 H new ATOM 1385 N ILE A 88 6.594 11.941 -9.060 1.00 72.13 N ATOM 1386 CA ILE A 88 5.167 11.973 -9.413 1.00 33.00 C ATOM 1387 C ILE A 88 4.367 10.818 -8.779 1.00 71.35 C ATOM 1388 O ILE A 88 3.232 10.541 -9.179 1.00 73.43 O ATOM 1389 CB ILE A 88 4.967 11.997 -10.959 1.00 73.44 C ATOM 1390 CG1 ILE A 88 5.763 10.873 -11.668 1.00 40.14 C ATOM 1391 CG2 ILE A 88 5.364 13.362 -11.520 1.00 73.15 C ATOM 1392 CD1 ILE A 88 5.150 9.490 -11.557 1.00 20.12 C ATOM 0 H ILE A 88 7.196 11.534 -9.776 1.00 72.13 H new ATOM 0 HA ILE A 88 4.771 12.899 -8.996 1.00 33.00 H new ATOM 0 HB ILE A 88 3.910 11.819 -11.155 1.00 73.44 H new ATOM 0 HG12 ILE A 88 5.861 11.127 -12.723 1.00 40.14 H new ATOM 0 HG13 ILE A 88 6.770 10.843 -11.252 1.00 40.14 H new ATOM 0 HG21 ILE A 88 5.220 13.367 -12.600 1.00 73.15 H new ATOM 0 HG22 ILE A 88 4.744 14.136 -11.068 1.00 73.15 H new ATOM 0 HG23 ILE A 88 6.412 13.558 -11.293 1.00 73.15 H new ATOM 0 HD11 ILE A 88 5.777 8.771 -12.084 1.00 20.12 H new ATOM 0 HD12 ILE A 88 5.077 9.208 -10.507 1.00 20.12 H new ATOM 0 HD13 ILE A 88 4.154 9.497 -12.001 1.00 20.12 H new ATOM 1404 N GLY A 89 4.949 10.170 -7.773 1.00 64.15 N ATOM 1405 CA GLY A 89 4.276 9.077 -7.083 1.00 32.14 C ATOM 1406 C GLY A 89 4.362 7.747 -7.822 1.00 54.41 C ATOM 1407 O GLY A 89 3.347 7.087 -8.047 1.00 25.45 O ATOM 0 H GLY A 89 5.882 10.383 -7.420 1.00 64.15 H new ATOM 0 HA2 GLY A 89 4.712 8.961 -6.091 1.00 32.14 H new ATOM 0 HA3 GLY A 89 3.227 9.338 -6.942 1.00 32.14 H new ATOM 1411 N LYS A 90 5.575 7.346 -8.198 1.00 0.03 N ATOM 1412 CA LYS A 90 5.784 6.075 -8.910 1.00 52.14 C ATOM 1413 C LYS A 90 6.818 5.198 -8.191 1.00 35.14 C ATOM 1414 O LYS A 90 7.892 5.667 -7.821 1.00 52.24 O ATOM 1415 CB LYS A 90 6.228 6.346 -10.354 1.00 32.42 C ATOM 1416 CG LYS A 90 6.455 5.086 -11.186 1.00 2.12 C ATOM 1417 CD LYS A 90 6.929 5.417 -12.597 1.00 44.15 C ATOM 1418 CE LYS A 90 7.173 4.161 -13.427 1.00 33.42 C ATOM 1419 NZ LYS A 90 8.205 3.277 -12.819 1.00 71.21 N ATOM 0 H LYS A 90 6.429 7.877 -8.025 1.00 0.03 H new ATOM 0 HA LYS A 90 4.837 5.535 -8.923 1.00 52.14 H new ATOM 0 HB2 LYS A 90 5.474 6.961 -10.845 1.00 32.42 H new ATOM 0 HB3 LYS A 90 7.150 6.927 -10.336 1.00 32.42 H new ATOM 0 HG2 LYS A 90 7.193 4.453 -10.694 1.00 2.12 H new ATOM 0 HG3 LYS A 90 5.529 4.513 -11.239 1.00 2.12 H new ATOM 0 HD2 LYS A 90 6.185 6.040 -13.093 1.00 44.15 H new ATOM 0 HD3 LYS A 90 7.848 6.000 -12.543 1.00 44.15 H new ATOM 0 HE2 LYS A 90 6.239 3.609 -13.530 1.00 33.42 H new ATOM 0 HE3 LYS A 90 7.487 4.446 -14.431 1.00 33.42 H new ATOM 0 HZ1 LYS A 90 8.485 2.548 -13.505 1.00 71.21 H new ATOM 0 HZ2 LYS A 90 9.037 3.844 -12.557 1.00 71.21 H new ATOM 0 HZ3 LYS A 90 7.815 2.821 -11.970 1.00 71.21 H new ATOM 1433 N ILE A 91 6.487 3.922 -7.998 1.00 11.12 N ATOM 1434 CA ILE A 91 7.358 2.985 -7.278 1.00 62.10 C ATOM 1435 C ILE A 91 7.684 1.749 -8.133 1.00 31.31 C ATOM 1436 O ILE A 91 6.801 1.163 -8.762 1.00 13.14 O ATOM 1437 CB ILE A 91 6.692 2.517 -5.960 1.00 35.50 C ATOM 1438 CG1 ILE A 91 6.290 3.728 -5.103 1.00 12.54 C ATOM 1439 CG2 ILE A 91 7.621 1.582 -5.182 1.00 23.54 C ATOM 1440 CD1 ILE A 91 5.514 3.364 -3.856 1.00 4.35 C ATOM 0 H ILE A 91 5.616 3.508 -8.332 1.00 11.12 H new ATOM 0 HA ILE A 91 8.282 3.518 -7.055 1.00 62.10 H new ATOM 0 HB ILE A 91 5.790 1.959 -6.210 1.00 35.50 H new ATOM 0 HG12 ILE A 91 7.190 4.271 -4.814 1.00 12.54 H new ATOM 0 HG13 ILE A 91 5.689 4.406 -5.709 1.00 12.54 H new ATOM 0 HG21 ILE A 91 7.131 1.267 -4.261 1.00 23.54 H new ATOM 0 HG22 ILE A 91 7.848 0.706 -5.790 1.00 23.54 H new ATOM 0 HG23 ILE A 91 8.546 2.106 -4.941 1.00 23.54 H new ATOM 0 HD11 ILE A 91 5.266 4.271 -3.304 1.00 4.35 H new ATOM 0 HD12 ILE A 91 4.596 2.848 -4.137 1.00 4.35 H new ATOM 0 HD13 ILE A 91 6.120 2.711 -3.228 1.00 4.35 H new ATOM 1452 N ALA A 92 8.955 1.362 -8.153 1.00 34.15 N ATOM 1453 CA ALA A 92 9.398 0.179 -8.898 1.00 23.33 C ATOM 1454 C ALA A 92 8.873 -1.126 -8.271 1.00 43.24 C ATOM 1455 O ALA A 92 9.427 -1.620 -7.287 1.00 64.32 O ATOM 1456 CB ALA A 92 10.921 0.156 -8.975 1.00 65.44 C ATOM 0 H ALA A 92 9.703 1.850 -7.661 1.00 34.15 H new ATOM 0 HA ALA A 92 8.984 0.244 -9.904 1.00 23.33 H new ATOM 0 HB1 ALA A 92 11.244 -0.725 -9.530 1.00 65.44 H new ATOM 0 HB2 ALA A 92 11.273 1.054 -9.483 1.00 65.44 H new ATOM 0 HB3 ALA A 92 11.336 0.123 -7.968 1.00 65.44 H new ATOM 1462 N LEU A 93 7.807 -1.682 -8.849 1.00 53.31 N ATOM 1463 CA LEU A 93 7.186 -2.906 -8.325 1.00 61.43 C ATOM 1464 C LEU A 93 8.165 -4.085 -8.284 1.00 73.33 C ATOM 1465 O LEU A 93 8.476 -4.593 -7.215 1.00 64.20 O ATOM 1466 CB LEU A 93 5.952 -3.285 -9.157 1.00 11.13 C ATOM 1467 CG LEU A 93 4.691 -2.450 -8.884 1.00 71.33 C ATOM 1468 CD1 LEU A 93 3.554 -2.865 -9.814 1.00 0.23 C ATOM 1469 CD2 LEU A 93 4.262 -2.581 -7.422 1.00 73.13 C ATOM 0 H LEU A 93 7.353 -1.306 -9.681 1.00 53.31 H new ATOM 0 HA LEU A 93 6.883 -2.691 -7.300 1.00 61.43 H new ATOM 0 HB2 LEU A 93 6.205 -3.195 -10.213 1.00 11.13 H new ATOM 0 HB3 LEU A 93 5.719 -4.334 -8.974 1.00 11.13 H new ATOM 0 HG LEU A 93 4.929 -1.405 -9.080 1.00 71.33 H new ATOM 0 HD11 LEU A 93 2.672 -2.261 -9.603 1.00 0.23 H new ATOM 0 HD12 LEU A 93 3.858 -2.714 -10.850 1.00 0.23 H new ATOM 0 HD13 LEU A 93 3.319 -3.917 -9.655 1.00 0.23 H new ATOM 0 HD21 LEU A 93 3.368 -1.982 -7.250 1.00 73.13 H new ATOM 0 HD22 LEU A 93 4.048 -3.626 -7.198 1.00 73.13 H new ATOM 0 HD23 LEU A 93 5.065 -2.228 -6.774 1.00 73.13 H new ATOM 1481 N ARG A 94 8.664 -4.501 -9.448 1.00 3.42 N ATOM 1482 CA ARG A 94 9.528 -5.690 -9.549 1.00 23.31 C ATOM 1483 C ARG A 94 10.690 -5.659 -8.531 1.00 2.52 C ATOM 1484 O ARG A 94 11.101 -6.697 -8.011 1.00 34.41 O ATOM 1485 CB ARG A 94 10.084 -5.808 -10.976 1.00 72.34 C ATOM 1486 CG ARG A 94 10.945 -7.046 -11.210 1.00 73.21 C ATOM 1487 CD ARG A 94 11.518 -7.074 -12.623 1.00 44.35 C ATOM 1488 NE ARG A 94 10.471 -7.077 -13.646 1.00 64.02 N ATOM 1489 CZ ARG A 94 10.592 -6.522 -14.824 1.00 62.44 C ATOM 1490 NH1 ARG A 94 11.681 -5.906 -15.155 1.00 62.23 N ATOM 1491 NH2 ARG A 94 9.622 -6.589 -15.674 1.00 71.12 N ATOM 0 H ARG A 94 8.488 -4.035 -10.338 1.00 3.42 H new ATOM 0 HA ARG A 94 8.916 -6.561 -9.315 1.00 23.31 H new ATOM 0 HB2 ARG A 94 9.251 -5.820 -11.679 1.00 72.34 H new ATOM 0 HB3 ARG A 94 10.676 -4.920 -11.198 1.00 72.34 H new ATOM 0 HG2 ARG A 94 11.760 -7.065 -10.486 1.00 73.21 H new ATOM 0 HG3 ARG A 94 10.348 -7.942 -11.041 1.00 73.21 H new ATOM 0 HD2 ARG A 94 12.163 -6.207 -12.769 1.00 44.35 H new ATOM 0 HD3 ARG A 94 12.142 -7.960 -12.742 1.00 44.35 H new ATOM 0 HE ARG A 94 9.590 -7.542 -13.426 1.00 64.02 H new ATOM 0 HH11 ARG A 94 12.456 -5.850 -14.494 1.00 62.23 H new ATOM 0 HH12 ARG A 94 11.764 -5.477 -16.077 1.00 62.23 H new ATOM 0 HH21 ARG A 94 8.760 -7.075 -15.427 1.00 71.12 H new ATOM 0 HH22 ARG A 94 9.718 -6.156 -16.592 1.00 71.12 H new ATOM 1505 N LYS A 95 11.208 -4.465 -8.248 1.00 11.52 N ATOM 1506 CA LYS A 95 12.322 -4.301 -7.304 1.00 32.43 C ATOM 1507 C LYS A 95 11.879 -4.488 -5.835 1.00 43.41 C ATOM 1508 O LYS A 95 12.526 -5.208 -5.071 1.00 23.54 O ATOM 1509 CB LYS A 95 12.957 -2.916 -7.490 1.00 34.35 C ATOM 1510 CG LYS A 95 14.230 -2.701 -6.673 1.00 53.53 C ATOM 1511 CD LYS A 95 14.812 -1.308 -6.897 1.00 12.20 C ATOM 1512 CE LYS A 95 16.103 -1.092 -6.115 1.00 11.42 C ATOM 1513 NZ LYS A 95 17.188 -2.009 -6.556 1.00 13.34 N ATOM 0 H LYS A 95 10.876 -3.592 -8.658 1.00 11.52 H new ATOM 0 HA LYS A 95 13.055 -5.078 -7.521 1.00 32.43 H new ATOM 0 HB2 LYS A 95 13.186 -2.772 -8.546 1.00 34.35 H new ATOM 0 HB3 LYS A 95 12.228 -2.154 -7.215 1.00 34.35 H new ATOM 0 HG2 LYS A 95 14.011 -2.839 -5.614 1.00 53.53 H new ATOM 0 HG3 LYS A 95 14.970 -3.453 -6.946 1.00 53.53 H new ATOM 0 HD2 LYS A 95 15.004 -1.163 -7.960 1.00 12.20 H new ATOM 0 HD3 LYS A 95 14.079 -0.558 -6.600 1.00 12.20 H new ATOM 0 HE2 LYS A 95 16.431 -0.060 -6.236 1.00 11.42 H new ATOM 0 HE3 LYS A 95 15.912 -1.243 -5.053 1.00 11.42 H new ATOM 0 HZ1 LYS A 95 18.090 -1.707 -6.136 1.00 13.34 H new ATOM 0 HZ2 LYS A 95 16.970 -2.978 -6.248 1.00 13.34 H new ATOM 0 HZ3 LYS A 95 17.264 -1.984 -7.593 1.00 13.34 H new ATOM 1527 N TYR A 96 10.774 -3.843 -5.448 1.00 21.54 N ATOM 1528 CA TYR A 96 10.283 -3.898 -4.055 1.00 1.41 C ATOM 1529 C TYR A 96 9.095 -4.860 -3.914 1.00 14.21 C ATOM 1530 O TYR A 96 8.392 -4.856 -2.901 1.00 42.42 O ATOM 1531 CB TYR A 96 9.859 -2.500 -3.586 1.00 31.21 C ATOM 1532 CG TYR A 96 10.938 -1.446 -3.738 1.00 1.34 C ATOM 1533 CD1 TYR A 96 11.994 -1.367 -2.836 1.00 10.42 C ATOM 1534 CD2 TYR A 96 10.896 -0.528 -4.781 1.00 35.42 C ATOM 1535 CE1 TYR A 96 12.972 -0.403 -2.970 1.00 25.13 C ATOM 1536 CE2 TYR A 96 11.872 0.435 -4.920 1.00 73.20 C ATOM 1537 CZ TYR A 96 12.907 0.493 -4.013 1.00 4.11 C ATOM 1538 OH TYR A 96 13.877 1.458 -4.149 1.00 62.14 O ATOM 0 H TYR A 96 10.200 -3.277 -6.073 1.00 21.54 H new ATOM 0 HA TYR A 96 11.101 -4.264 -3.434 1.00 1.41 H new ATOM 0 HB2 TYR A 96 8.980 -2.190 -4.151 1.00 31.21 H new ATOM 0 HB3 TYR A 96 9.563 -2.554 -2.538 1.00 31.21 H new ATOM 0 HD1 TYR A 96 12.049 -2.071 -2.019 1.00 10.42 H new ATOM 0 HD2 TYR A 96 10.086 -0.570 -5.494 1.00 35.42 H new ATOM 0 HE1 TYR A 96 13.784 -0.352 -2.260 1.00 25.13 H new ATOM 0 HE2 TYR A 96 11.826 1.141 -5.736 1.00 73.20 H new ATOM 0 HH TYR A 96 13.823 1.852 -5.045 1.00 62.14 H new ATOM 1548 N LYS A 97 8.890 -5.681 -4.935 1.00 5.33 N ATOM 1549 CA LYS A 97 7.742 -6.590 -5.013 1.00 63.14 C ATOM 1550 C LYS A 97 7.647 -7.500 -3.779 1.00 55.12 C ATOM 1551 O LYS A 97 8.516 -8.346 -3.545 1.00 54.32 O ATOM 1552 CB LYS A 97 7.852 -7.423 -6.295 1.00 72.33 C ATOM 1553 CG LYS A 97 6.546 -8.069 -6.737 1.00 24.21 C ATOM 1554 CD LYS A 97 6.688 -8.728 -8.105 1.00 42.02 C ATOM 1555 CE LYS A 97 7.675 -9.889 -8.080 1.00 21.42 C ATOM 1556 NZ LYS A 97 7.865 -10.493 -9.424 1.00 24.21 N ATOM 0 H LYS A 97 9.515 -5.740 -5.739 1.00 5.33 H new ATOM 0 HA LYS A 97 6.829 -5.996 -5.036 1.00 63.14 H new ATOM 0 HB2 LYS A 97 8.218 -6.784 -7.099 1.00 72.33 H new ATOM 0 HB3 LYS A 97 8.597 -8.204 -6.144 1.00 72.33 H new ATOM 0 HG2 LYS A 97 6.240 -8.814 -6.002 1.00 24.21 H new ATOM 0 HG3 LYS A 97 5.759 -7.315 -6.774 1.00 24.21 H new ATOM 0 HD2 LYS A 97 5.714 -9.087 -8.437 1.00 42.02 H new ATOM 0 HD3 LYS A 97 7.019 -7.986 -8.832 1.00 42.02 H new ATOM 0 HE2 LYS A 97 8.635 -9.539 -7.702 1.00 21.42 H new ATOM 0 HE3 LYS A 97 7.319 -10.652 -7.388 1.00 21.42 H new ATOM 0 HZ1 LYS A 97 8.544 -11.278 -9.359 1.00 24.21 H new ATOM 0 HZ2 LYS A 97 6.954 -10.851 -9.776 1.00 24.21 H new ATOM 0 HZ3 LYS A 97 8.230 -9.773 -10.080 1.00 24.21 H new ATOM 1570 N TRP A 98 6.587 -7.311 -2.995 1.00 22.13 N ATOM 1571 CA TRP A 98 6.390 -8.061 -1.750 1.00 15.04 C ATOM 1572 C TRP A 98 6.391 -9.585 -1.957 1.00 64.34 C ATOM 1573 O TRP A 98 5.576 -10.134 -2.706 1.00 50.44 O ATOM 1574 CB TRP A 98 5.072 -7.640 -1.071 1.00 23.44 C ATOM 1575 CG TRP A 98 4.727 -8.478 0.134 1.00 3.20 C ATOM 1576 CD1 TRP A 98 5.593 -8.943 1.081 1.00 50.42 C ATOM 1577 CD2 TRP A 98 3.426 -8.948 0.523 1.00 53.41 C ATOM 1578 NE1 TRP A 98 4.920 -9.677 2.022 1.00 10.24 N ATOM 1579 CE2 TRP A 98 3.591 -9.690 1.706 1.00 11.21 C ATOM 1580 CE3 TRP A 98 2.140 -8.815 -0.010 1.00 5.34 C ATOM 1581 CZ2 TRP A 98 2.530 -10.297 2.361 1.00 23.54 C ATOM 1582 CZ3 TRP A 98 1.081 -9.417 0.649 1.00 65.15 C ATOM 1583 CH2 TRP A 98 1.284 -10.153 1.826 1.00 4.54 C ATOM 0 H TRP A 98 5.846 -6.641 -3.200 1.00 22.13 H new ATOM 0 HA TRP A 98 7.238 -7.818 -1.110 1.00 15.04 H new ATOM 0 HB2 TRP A 98 5.145 -6.595 -0.769 1.00 23.44 H new ATOM 0 HB3 TRP A 98 4.261 -7.707 -1.796 1.00 23.44 H new ATOM 0 HD1 TRP A 98 6.657 -8.759 1.088 1.00 50.42 H new ATOM 0 HE1 TRP A 98 5.343 -10.139 2.827 1.00 10.24 H new ATOM 0 HE3 TRP A 98 1.976 -8.254 -0.918 1.00 5.34 H new ATOM 0 HZ2 TRP A 98 2.686 -10.866 3.266 1.00 23.54 H new ATOM 0 HZ3 TRP A 98 0.082 -9.318 0.250 1.00 65.15 H new ATOM 0 HH2 TRP A 98 0.439 -10.613 2.317 1.00 4.54 H new ATOM 1594 N GLN A 99 7.315 -10.259 -1.275 1.00 53.00 N ATOM 1595 CA GLN A 99 7.283 -11.714 -1.158 1.00 21.12 C ATOM 1596 C GLN A 99 7.360 -12.124 0.328 1.00 51.03 C ATOM 1597 O GLN A 99 8.375 -11.919 0.990 1.00 63.14 O ATOM 1598 CB GLN A 99 8.420 -12.370 -1.973 1.00 42.42 C ATOM 1599 CG GLN A 99 9.826 -12.118 -1.432 1.00 54.22 C ATOM 1600 CD GLN A 99 10.909 -12.817 -2.239 1.00 73.14 C ATOM 1601 OE1 GLN A 99 10.801 -12.972 -3.452 1.00 2.35 O ATOM 1602 NE2 GLN A 99 11.942 -13.282 -1.568 1.00 24.01 N ATOM 0 H GLN A 99 8.098 -9.817 -0.793 1.00 53.00 H new ATOM 0 HA GLN A 99 6.340 -12.072 -1.572 1.00 21.12 H new ATOM 0 HB2 GLN A 99 8.248 -13.446 -2.009 1.00 42.42 H new ATOM 0 HB3 GLN A 99 8.370 -12.004 -2.999 1.00 42.42 H new ATOM 0 HG2 GLN A 99 10.020 -11.045 -1.427 1.00 54.22 H new ATOM 0 HG3 GLN A 99 9.877 -12.456 -0.397 1.00 54.22 H new ATOM 0 HE21 GLN A 99 12.003 -13.137 -0.560 1.00 24.01 H new ATOM 0 HE22 GLN A 99 12.682 -13.787 -2.056 1.00 24.01 H new ATOM 1611 N PRO A 100 6.264 -12.653 0.898 1.00 45.15 N ATOM 1612 CA PRO A 100 6.271 -13.175 2.277 1.00 63.30 C ATOM 1613 C PRO A 100 6.962 -14.545 2.378 1.00 50.30 C ATOM 1614 O PRO A 100 7.176 -15.073 3.474 1.00 41.42 O ATOM 1615 CB PRO A 100 4.777 -13.299 2.601 1.00 41.33 C ATOM 1616 CG PRO A 100 4.132 -13.549 1.278 1.00 62.24 C ATOM 1617 CD PRO A 100 4.929 -12.755 0.272 1.00 54.41 C ATOM 0 HA PRO A 100 6.822 -12.532 2.963 1.00 63.30 H new ATOM 0 HB2 PRO A 100 4.587 -14.116 3.297 1.00 41.33 H new ATOM 0 HB3 PRO A 100 4.394 -12.390 3.065 1.00 41.33 H new ATOM 0 HG2 PRO A 100 4.142 -14.611 1.033 1.00 62.24 H new ATOM 0 HG3 PRO A 100 3.089 -13.233 1.286 1.00 62.24 H new ATOM 0 HD2 PRO A 100 4.975 -13.260 -0.693 1.00 54.41 H new ATOM 0 HD3 PRO A 100 4.491 -11.772 0.097 1.00 54.41 H new ATOM 1625 N LEU A 101 7.310 -15.113 1.224 1.00 22.44 N ATOM 1626 CA LEU A 101 7.897 -16.452 1.151 1.00 1.23 C ATOM 1627 C LEU A 101 9.289 -16.419 0.499 1.00 40.03 C ATOM 1628 O LEU A 101 9.417 -16.136 -0.694 1.00 40.23 O ATOM 1629 CB LEU A 101 6.968 -17.374 0.344 1.00 20.33 C ATOM 1630 CG LEU A 101 5.512 -17.450 0.844 1.00 41.41 C ATOM 1631 CD1 LEU A 101 4.661 -18.303 -0.091 1.00 2.42 C ATOM 1632 CD2 LEU A 101 5.454 -17.995 2.271 1.00 34.54 C ATOM 0 H LEU A 101 7.194 -14.661 0.317 1.00 22.44 H new ATOM 0 HA LEU A 101 8.010 -16.832 2.166 1.00 1.23 H new ATOM 0 HB2 LEU A 101 6.961 -17.037 -0.692 1.00 20.33 H new ATOM 0 HB3 LEU A 101 7.389 -18.380 0.349 1.00 20.33 H new ATOM 0 HG LEU A 101 5.105 -16.439 0.849 1.00 41.41 H new ATOM 0 HD11 LEU A 101 3.638 -18.342 0.282 1.00 2.42 H new ATOM 0 HD12 LEU A 101 4.667 -17.865 -1.089 1.00 2.42 H new ATOM 0 HD13 LEU A 101 5.070 -19.313 -0.135 1.00 2.42 H new ATOM 0 HD21 LEU A 101 4.416 -18.039 2.602 1.00 34.54 H new ATOM 0 HD22 LEU A 101 5.886 -18.995 2.296 1.00 34.54 H new ATOM 0 HD23 LEU A 101 6.018 -17.339 2.934 1.00 34.54 H new ATOM 1644 N GLU A 102 10.324 -16.694 1.292 1.00 31.12 N ATOM 1645 CA GLU A 102 11.699 -16.815 0.778 1.00 65.14 C ATOM 1646 C GLU A 102 11.990 -18.254 0.296 1.00 0.33 C ATOM 1647 O GLU A 102 12.349 -19.110 1.135 1.00 38.40 O ATOM 1648 CB GLU A 102 12.718 -16.401 1.863 1.00 42.55 C ATOM 1649 CG GLU A 102 13.047 -14.907 1.906 1.00 21.20 C ATOM 1650 CD GLU A 102 11.842 -14.018 2.175 1.00 34.53 C ATOM 1651 OE1 GLU A 102 11.256 -14.116 3.278 1.00 41.21 O ATOM 1652 OE2 GLU A 102 11.497 -13.196 1.301 1.00 33.13 O ATOM 0 H GLU A 102 10.241 -16.839 2.298 1.00 31.12 H new ATOM 0 HA GLU A 102 11.798 -16.144 -0.075 1.00 65.14 H new ATOM 0 HB2 GLU A 102 12.331 -16.700 2.837 1.00 42.55 H new ATOM 0 HB3 GLU A 102 13.642 -16.957 1.703 1.00 42.55 H new ATOM 0 HG2 GLU A 102 13.795 -14.732 2.679 1.00 21.20 H new ATOM 0 HG3 GLU A 102 13.496 -14.616 0.956 1.00 21.20 H new TER 1659 GLU A 102