USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 836 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 19 SER OG : rot 90:sc= -0.306 USER MOD Set 1.2: A 103 GLN : amide:sc= -1.19 K(o=-1.5,f=-0.33) USER MOD Set 2.1: A 1 LEU N :NH3+ -156:sc= -1.23 (180deg=-2.12!) USER MOD Set 2.2: A 85 LYS NZ :NH3+ -170:sc= -0.467 (180deg=0) USER MOD Set 3.1: A 51 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 82 THR OG1 : rot -10:sc= -1.25 USER MOD Set 4.1: A 27 CYS SG : rot -85:sc= -0.0507 USER MOD Set 4.2: A 66 CYS SG : rot -159:sc= -2.4! USER MOD Set 5.1: A 23 ASN : amide:sc= -4.77! C(o=-8.7!,f=-7.1!) USER MOD Set 5.2: A 28 THR OG1 : rot -160:sc= -3.92! USER MOD Set 6.1: A 5 ASN : amide:sc= -2.29 K(o=-3.3,f=-0.14!) USER MOD Set 6.2: A 78 SER OG : rot 180:sc= -1.01 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 MET CE :methyl 179:sc= -1.36 (180deg=-1.4) USER MOD Single : A 10 LYS NZ :NH3+ -142:sc= -2.9! (180deg=-6.5!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 138:sc= -1.08 (180deg=-3.46!) USER MOD Single : A 21 SER OG : rot -11:sc= -5.79! USER MOD Single : A 34 GLN : amide:sc= -0.0126 K(o=-0.013,f=-0.65) USER MOD Single : A 36 GLN : amide:sc= -2.65 K(o=-2.7,f=-11!) USER MOD Single : A 37 TYR OH : rot -90:sc= 0.91 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 1.32 (180deg=1.32) USER MOD Single : A 45 GLN : amide:sc= -0.0408 X(o=-0.041,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 TYR OH : rot -93:sc= 1.1 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.248 K(o=0.25,f=-1.3) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= -0.152 (180deg=-0.152) USER MOD Single : A 79 MET CE :methyl 180:sc= -0.527 (180deg=-0.527) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= -0.226 X(o=-0.23,f=0) USER MOD Single : A 104 TYR OH : rot -103:sc= 0.652 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -1.159 -10.152 -14.129 1.00 0.00 N ATOM 2 CA LEU A 1 -1.138 -9.118 -13.061 1.00 0.00 C ATOM 3 C LEU A 1 -0.748 -7.755 -13.622 1.00 0.00 C ATOM 4 O LEU A 1 0.359 -7.574 -14.128 1.00 0.00 O ATOM 5 CB LEU A 1 -0.140 -9.551 -11.984 1.00 0.00 C ATOM 6 CG LEU A 1 -0.602 -10.713 -11.104 1.00 0.00 C ATOM 7 CD1 LEU A 1 -0.226 -12.044 -11.738 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.001 -10.596 -9.711 1.00 0.00 C ATOM 0 H1 LEU A 1 -1.789 -10.930 -13.847 1.00 0.00 H new ATOM 0 H2 LEU A 1 -1.505 -9.730 -15.014 1.00 0.00 H new ATOM 0 H3 LEU A 1 -0.197 -10.520 -14.274 1.00 0.00 H new ATOM 0 HA LEU A 1 -2.136 -9.024 -12.633 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.795 -9.831 -12.468 1.00 0.00 H new ATOM 0 HB3 LEU A 1 0.076 -8.695 -11.345 1.00 0.00 H new ATOM 0 HG LEU A 1 -1.688 -10.669 -11.016 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -0.562 -12.860 -11.098 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -0.702 -12.129 -12.715 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.856 -12.098 -11.856 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.340 -11.431 -9.097 1.00 0.00 H new ATOM 0 HD22 LEU A 1 1.087 -10.615 -9.781 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -0.319 -9.658 -9.255 1.00 0.00 H new ATOM 22 N GLU A 2 -1.665 -6.796 -13.526 1.00 0.00 N ATOM 23 CA GLU A 2 -1.414 -5.448 -14.023 1.00 0.00 C ATOM 24 C GLU A 2 -0.616 -4.637 -13.011 1.00 0.00 C ATOM 25 O GLU A 2 -0.645 -4.919 -11.813 1.00 0.00 O ATOM 26 CB GLU A 2 -2.733 -4.734 -14.326 1.00 0.00 C ATOM 27 CG GLU A 2 -2.707 -3.933 -15.618 1.00 0.00 C ATOM 28 CD GLU A 2 -3.151 -4.745 -16.817 1.00 0.00 C ATOM 29 OE1 GLU A 2 -4.147 -5.490 -16.695 1.00 0.00 O ATOM 30 OE2 GLU A 2 -2.503 -4.639 -17.881 1.00 0.00 O ATOM 0 H GLU A 2 -2.587 -6.928 -13.109 1.00 0.00 H new ATOM 0 HA GLU A 2 -0.834 -5.533 -14.942 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.532 -5.473 -14.382 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -2.974 -4.066 -13.499 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -3.354 -3.062 -15.514 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.697 -3.561 -15.790 1.00 0.00 H new ATOM 37 N LYS A 3 0.085 -3.621 -13.498 1.00 0.00 N ATOM 38 CA LYS A 3 0.877 -2.762 -12.632 1.00 0.00 C ATOM 39 C LYS A 3 0.981 -1.356 -13.207 1.00 0.00 C ATOM 40 O LYS A 3 1.336 -1.172 -14.369 1.00 0.00 O ATOM 41 CB LYS A 3 2.281 -3.338 -12.426 1.00 0.00 C ATOM 42 CG LYS A 3 2.302 -4.832 -12.157 1.00 0.00 C ATOM 43 CD LYS A 3 3.726 -5.352 -12.058 1.00 0.00 C ATOM 44 CE LYS A 3 3.811 -6.585 -11.173 1.00 0.00 C ATOM 45 NZ LYS A 3 3.327 -7.806 -11.872 1.00 0.00 N ATOM 0 H LYS A 3 0.120 -3.373 -14.487 1.00 0.00 H new ATOM 0 HA LYS A 3 0.371 -2.712 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.881 -3.130 -13.312 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.755 -2.822 -11.591 1.00 0.00 H new ATOM 0 HG2 LYS A 3 1.769 -5.045 -11.230 1.00 0.00 H new ATOM 0 HG3 LYS A 3 1.775 -5.355 -12.955 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.096 -5.592 -13.055 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.372 -4.571 -11.658 1.00 0.00 H new ATOM 0 HE2 LYS A 3 4.843 -6.734 -10.856 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.220 -6.425 -10.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.402 -8.624 -11.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.334 -7.675 -12.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 3.906 -7.974 -12.719 1.00 0.00 H new ATOM 59 N PHE A 4 0.683 -0.369 -12.375 1.00 0.00 N ATOM 60 CA PHE A 4 0.754 1.025 -12.781 1.00 0.00 C ATOM 61 C PHE A 4 1.406 1.851 -11.679 1.00 0.00 C ATOM 62 O PHE A 4 1.646 1.347 -10.584 1.00 0.00 O ATOM 63 CB PHE A 4 -0.641 1.566 -13.109 1.00 0.00 C ATOM 64 CG PHE A 4 -1.518 1.763 -11.904 1.00 0.00 C ATOM 65 CD1 PHE A 4 -2.136 0.682 -11.295 1.00 0.00 C ATOM 66 CD2 PHE A 4 -1.726 3.028 -11.383 1.00 0.00 C ATOM 67 CE1 PHE A 4 -2.943 0.862 -10.188 1.00 0.00 C ATOM 68 CE2 PHE A 4 -2.531 3.212 -10.279 1.00 0.00 C ATOM 69 CZ PHE A 4 -3.140 2.129 -9.680 1.00 0.00 C ATOM 0 H PHE A 4 0.388 -0.510 -11.409 1.00 0.00 H new ATOM 0 HA PHE A 4 1.362 1.098 -13.683 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -0.537 2.518 -13.630 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -1.134 0.878 -13.796 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.985 -0.312 -11.690 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.252 3.881 -11.846 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -3.419 0.012 -9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.685 4.205 -9.883 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.770 2.273 -8.815 1.00 0.00 H new ATOM 79 N ASN A 5 1.698 3.110 -11.968 1.00 0.00 N ATOM 80 CA ASN A 5 2.330 3.979 -10.985 1.00 0.00 C ATOM 81 C ASN A 5 1.355 5.031 -10.471 1.00 0.00 C ATOM 82 O ASN A 5 0.623 5.648 -11.243 1.00 0.00 O ATOM 83 CB ASN A 5 3.561 4.659 -11.591 1.00 0.00 C ATOM 84 CG ASN A 5 4.824 4.387 -10.797 1.00 0.00 C ATOM 85 OD1 ASN A 5 5.858 4.027 -11.359 1.00 0.00 O ATOM 86 ND2 ASN A 5 4.744 4.560 -9.483 1.00 0.00 N ATOM 0 H ASN A 5 1.509 3.551 -12.868 1.00 0.00 H new ATOM 0 HA ASN A 5 2.640 3.361 -10.142 1.00 0.00 H new ATOM 0 HB2 ASN A 5 3.697 4.311 -12.615 1.00 0.00 H new ATOM 0 HB3 ASN A 5 3.391 5.735 -11.640 1.00 0.00 H new ATOM 0 HD21 ASN A 5 5.561 4.393 -8.896 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.865 4.860 -9.061 1.00 0.00 H new ATOM 93 N VAL A 6 1.359 5.229 -9.157 1.00 0.00 N ATOM 94 CA VAL A 6 0.484 6.208 -8.528 1.00 0.00 C ATOM 95 C VAL A 6 1.304 7.308 -7.876 1.00 0.00 C ATOM 96 O VAL A 6 1.930 7.095 -6.840 1.00 0.00 O ATOM 97 CB VAL A 6 -0.408 5.557 -7.454 1.00 0.00 C ATOM 98 CG1 VAL A 6 -1.501 6.515 -7.008 1.00 0.00 C ATOM 99 CG2 VAL A 6 -0.996 4.254 -7.962 1.00 0.00 C ATOM 0 H VAL A 6 1.960 4.723 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 6 -0.149 6.626 -9.311 1.00 0.00 H new ATOM 0 HB VAL A 6 0.211 5.329 -6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.119 6.034 -6.249 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.048 7.415 -6.591 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.121 6.784 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.622 3.811 -7.188 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.599 4.448 -8.849 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.190 3.565 -8.215 1.00 0.00 H new ATOM 109 N ASP A 7 1.296 8.487 -8.482 1.00 0.00 N ATOM 110 CA ASP A 7 2.046 9.610 -7.941 1.00 0.00 C ATOM 111 C ASP A 7 1.105 10.670 -7.386 1.00 0.00 C ATOM 112 O ASP A 7 0.205 11.137 -8.084 1.00 0.00 O ATOM 113 CB ASP A 7 2.934 10.221 -9.026 1.00 0.00 C ATOM 114 CG ASP A 7 2.147 10.628 -10.256 1.00 0.00 C ATOM 115 OD1 ASP A 7 1.373 9.793 -10.768 1.00 0.00 O ATOM 116 OD2 ASP A 7 2.304 11.781 -10.707 1.00 0.00 O ATOM 0 H ASP A 7 0.783 8.689 -9.340 1.00 0.00 H new ATOM 0 HA ASP A 7 2.673 9.243 -7.129 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.448 11.093 -8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.702 9.502 -9.311 1.00 0.00 H new ATOM 121 N LEU A 8 1.326 11.064 -6.137 1.00 0.00 N ATOM 122 CA LEU A 8 0.498 12.088 -5.515 1.00 0.00 C ATOM 123 C LEU A 8 1.305 12.882 -4.499 1.00 0.00 C ATOM 124 O LEU A 8 2.335 12.422 -4.015 1.00 0.00 O ATOM 125 CB LEU A 8 -0.770 11.493 -4.868 1.00 0.00 C ATOM 126 CG LEU A 8 -0.586 10.315 -3.893 1.00 0.00 C ATOM 127 CD1 LEU A 8 0.262 9.212 -4.504 1.00 0.00 C ATOM 128 CD2 LEU A 8 0.003 10.784 -2.567 1.00 0.00 C ATOM 0 H LEU A 8 2.065 10.693 -5.540 1.00 0.00 H new ATOM 0 HA LEU A 8 0.167 12.765 -6.303 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.283 12.294 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.434 11.166 -5.668 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.574 9.900 -3.695 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.371 8.398 -3.788 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.222 8.839 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 8 1.246 9.607 -4.756 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.121 9.931 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.975 11.244 -2.743 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.666 11.513 -2.109 1.00 0.00 H new ATOM 140 N MET A 9 0.842 14.080 -4.189 1.00 0.00 N ATOM 141 CA MET A 9 1.539 14.930 -3.238 1.00 0.00 C ATOM 142 C MET A 9 1.386 14.399 -1.822 1.00 0.00 C ATOM 143 O MET A 9 0.290 14.384 -1.264 1.00 0.00 O ATOM 144 CB MET A 9 1.015 16.361 -3.327 1.00 0.00 C ATOM 145 CG MET A 9 1.838 17.241 -4.256 1.00 0.00 C ATOM 146 SD MET A 9 2.769 18.510 -3.377 1.00 0.00 S ATOM 147 CE MET A 9 4.400 17.771 -3.353 1.00 0.00 C ATOM 0 H MET A 9 -0.009 14.485 -4.579 1.00 0.00 H new ATOM 0 HA MET A 9 2.600 14.926 -3.490 1.00 0.00 H new ATOM 0 HB2 MET A 9 -0.018 16.342 -3.674 1.00 0.00 H new ATOM 0 HB3 MET A 9 1.008 16.802 -2.330 1.00 0.00 H new ATOM 0 HG2 MET A 9 2.529 16.617 -4.822 1.00 0.00 H new ATOM 0 HG3 MET A 9 1.175 17.718 -4.978 1.00 0.00 H new ATOM 0 HE1 MET A 9 5.098 18.445 -2.856 1.00 0.00 H new ATOM 0 HE2 MET A 9 4.363 16.825 -2.813 1.00 0.00 H new ATOM 0 HE3 MET A 9 4.734 17.592 -4.375 1.00 0.00 H new ATOM 157 N LYS A 10 2.499 13.955 -1.251 1.00 0.00 N ATOM 158 CA LYS A 10 2.495 13.414 0.096 1.00 0.00 C ATOM 159 C LYS A 10 2.922 14.457 1.114 1.00 0.00 C ATOM 160 O LYS A 10 3.780 15.298 0.844 1.00 0.00 O ATOM 161 CB LYS A 10 3.416 12.199 0.187 1.00 0.00 C ATOM 162 CG LYS A 10 2.681 10.924 0.555 1.00 0.00 C ATOM 163 CD LYS A 10 2.411 10.861 2.052 1.00 0.00 C ATOM 164 CE LYS A 10 2.761 9.504 2.642 1.00 0.00 C ATOM 165 NZ LYS A 10 3.667 9.625 3.819 1.00 0.00 N ATOM 0 H LYS A 10 3.414 13.960 -1.702 1.00 0.00 H new ATOM 0 HA LYS A 10 1.473 13.110 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 10 3.919 12.059 -0.770 1.00 0.00 H new ATOM 0 HB3 LYS A 10 4.191 12.392 0.929 1.00 0.00 H new ATOM 0 HG2 LYS A 10 1.739 10.873 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 10 3.272 10.059 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 10 2.989 11.635 2.557 1.00 0.00 H new ATOM 0 HD3 LYS A 10 1.359 11.076 2.239 1.00 0.00 H new ATOM 0 HE2 LYS A 10 1.846 8.991 2.939 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.238 8.889 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 4.360 8.849 3.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.167 10.536 3.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.108 9.574 4.694 1.00 0.00 H new ATOM 179 N LYS A 11 2.327 14.378 2.293 1.00 0.00 N ATOM 180 CA LYS A 11 2.647 15.300 3.375 1.00 0.00 C ATOM 181 C LYS A 11 2.900 14.530 4.666 1.00 0.00 C ATOM 182 O LYS A 11 2.110 14.590 5.608 1.00 0.00 O ATOM 183 CB LYS A 11 1.514 16.308 3.575 1.00 0.00 C ATOM 184 CG LYS A 11 0.969 16.875 2.274 1.00 0.00 C ATOM 185 CD LYS A 11 1.880 17.953 1.710 1.00 0.00 C ATOM 186 CE LYS A 11 1.238 18.662 0.528 1.00 0.00 C ATOM 187 NZ LYS A 11 1.407 20.140 0.609 1.00 0.00 N ATOM 0 H LYS A 11 1.618 13.684 2.527 1.00 0.00 H new ATOM 0 HA LYS A 11 3.552 15.846 3.107 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.702 15.827 4.120 1.00 0.00 H new ATOM 0 HB3 LYS A 11 1.874 17.128 4.197 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.858 16.073 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.024 17.290 2.445 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.112 18.679 2.489 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.824 17.507 1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.680 18.296 -0.399 1.00 0.00 H new ATOM 0 HE3 LYS A 11 0.176 18.419 0.492 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 0.956 20.587 -0.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 0.963 20.493 1.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.420 20.374 0.618 1.00 0.00 H new ATOM 201 N ALA A 12 4.013 13.800 4.696 1.00 0.00 N ATOM 202 CA ALA A 12 4.382 13.007 5.864 1.00 0.00 C ATOM 203 C ALA A 12 3.263 12.044 6.257 1.00 0.00 C ATOM 204 O ALA A 12 3.181 11.611 7.407 1.00 0.00 O ATOM 205 CB ALA A 12 4.735 13.921 7.028 1.00 0.00 C ATOM 0 H ALA A 12 4.675 13.742 3.923 1.00 0.00 H new ATOM 0 HA ALA A 12 5.257 12.410 5.606 1.00 0.00 H new ATOM 0 HB1 ALA A 12 5.009 13.318 7.894 1.00 0.00 H new ATOM 0 HB2 ALA A 12 5.575 14.558 6.749 1.00 0.00 H new ATOM 0 HB3 ALA A 12 3.875 14.543 7.276 1.00 0.00 H new ATOM 211 N GLY A 13 2.404 11.713 5.298 1.00 0.00 N ATOM 212 CA GLY A 13 1.305 10.803 5.567 1.00 0.00 C ATOM 213 C GLY A 13 0.067 11.518 6.071 1.00 0.00 C ATOM 214 O GLY A 13 0.067 12.075 7.169 1.00 0.00 O ATOM 0 H GLY A 13 2.449 12.059 4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.059 10.257 4.656 1.00 0.00 H new ATOM 0 HA3 GLY A 13 1.621 10.066 6.306 1.00 0.00 H new ATOM 218 N LYS A 14 -0.993 11.500 5.269 1.00 0.00 N ATOM 219 CA LYS A 14 -2.245 12.149 5.642 1.00 0.00 C ATOM 220 C LYS A 14 -3.409 11.616 4.804 1.00 0.00 C ATOM 221 O LYS A 14 -4.012 10.597 5.138 1.00 0.00 O ATOM 222 CB LYS A 14 -2.129 13.668 5.485 1.00 0.00 C ATOM 223 CG LYS A 14 -1.266 14.099 4.312 1.00 0.00 C ATOM 224 CD LYS A 14 -1.707 15.449 3.770 1.00 0.00 C ATOM 225 CE LYS A 14 -1.577 16.542 4.820 1.00 0.00 C ATOM 226 NZ LYS A 14 -1.499 17.897 4.208 1.00 0.00 N ATOM 0 H LYS A 14 -1.010 11.043 4.357 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.445 11.920 6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.127 14.089 5.363 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -1.716 14.088 6.402 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.223 14.153 4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.323 13.351 3.521 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.105 15.707 2.899 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -2.742 15.387 3.435 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.431 16.498 5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -0.685 16.364 5.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.082 18.560 4.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.511 18.222 4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.849 17.857 3.229 1.00 0.00 H new ATOM 240 N GLU A 15 -3.716 12.310 3.710 1.00 0.00 N ATOM 241 CA GLU A 15 -4.794 11.921 2.818 1.00 0.00 C ATOM 242 C GLU A 15 -4.460 10.638 2.054 1.00 0.00 C ATOM 243 O GLU A 15 -5.304 10.108 1.332 1.00 0.00 O ATOM 244 CB GLU A 15 -5.110 13.059 1.847 1.00 0.00 C ATOM 245 CG GLU A 15 -6.187 14.003 2.356 1.00 0.00 C ATOM 246 CD GLU A 15 -6.155 15.350 1.664 1.00 0.00 C ATOM 247 OE1 GLU A 15 -5.044 15.883 1.453 1.00 0.00 O ATOM 248 OE2 GLU A 15 -7.238 15.875 1.331 1.00 0.00 O ATOM 0 H GLU A 15 -3.223 13.155 3.422 1.00 0.00 H new ATOM 0 HA GLU A 15 -5.675 11.718 3.426 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.200 13.627 1.656 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -5.428 12.636 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -7.165 13.546 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -6.061 14.147 3.429 1.00 0.00 H new ATOM 255 N LEU A 16 -3.230 10.136 2.204 1.00 0.00 N ATOM 256 CA LEU A 16 -2.825 8.914 1.509 1.00 0.00 C ATOM 257 C LEU A 16 -3.919 7.861 1.648 1.00 0.00 C ATOM 258 O LEU A 16 -4.181 7.090 0.726 1.00 0.00 O ATOM 259 CB LEU A 16 -1.510 8.386 2.090 1.00 0.00 C ATOM 260 CG LEU A 16 -0.462 7.981 1.056 1.00 0.00 C ATOM 261 CD1 LEU A 16 0.052 9.202 0.315 1.00 0.00 C ATOM 262 CD2 LEU A 16 0.684 7.231 1.720 1.00 0.00 C ATOM 0 H LEU A 16 -2.508 10.551 2.792 1.00 0.00 H new ATOM 0 HA LEU A 16 -2.673 9.137 0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.083 9.152 2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -1.729 7.524 2.720 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.931 7.314 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.798 8.895 -0.418 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.777 9.694 -0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.504 9.895 1.025 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.420 6.951 0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.154 7.871 2.466 1.00 0.00 H new ATOM 0 HD23 LEU A 16 0.299 6.333 2.203 1.00 0.00 H new ATOM 274 N GLY A 17 -4.576 7.884 2.805 1.00 0.00 N ATOM 275 CA GLY A 17 -5.677 6.981 3.096 1.00 0.00 C ATOM 276 C GLY A 17 -5.690 5.701 2.280 1.00 0.00 C ATOM 277 O GLY A 17 -6.640 5.440 1.543 1.00 0.00 O ATOM 0 H GLY A 17 -4.357 8.530 3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.643 6.719 4.154 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.615 7.510 2.929 1.00 0.00 H new ATOM 281 N LEU A 18 -4.653 4.890 2.433 1.00 0.00 N ATOM 282 CA LEU A 18 -4.574 3.620 1.725 1.00 0.00 C ATOM 283 C LEU A 18 -4.020 2.541 2.646 1.00 0.00 C ATOM 284 O LEU A 18 -2.809 2.353 2.747 1.00 0.00 O ATOM 285 CB LEU A 18 -3.715 3.743 0.465 1.00 0.00 C ATOM 286 CG LEU A 18 -2.461 4.610 0.606 1.00 0.00 C ATOM 287 CD1 LEU A 18 -1.236 3.745 0.861 1.00 0.00 C ATOM 288 CD2 LEU A 18 -2.260 5.463 -0.639 1.00 0.00 C ATOM 0 H LEU A 18 -3.857 5.088 3.039 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.581 3.338 1.416 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.412 2.743 0.154 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.331 4.153 -0.335 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.597 5.272 1.461 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.356 4.380 0.958 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.377 3.177 1.781 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.097 3.057 0.027 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.364 6.073 -0.521 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.147 4.816 -1.509 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -3.125 6.112 -0.779 1.00 0.00 H new ATOM 300 N SER A 19 -4.922 1.840 3.325 1.00 0.00 N ATOM 301 CA SER A 19 -4.535 0.784 4.250 1.00 0.00 C ATOM 302 C SER A 19 -3.790 -0.331 3.526 1.00 0.00 C ATOM 303 O SER A 19 -4.333 -0.967 2.623 1.00 0.00 O ATOM 304 CB SER A 19 -5.768 0.222 4.959 1.00 0.00 C ATOM 305 OG SER A 19 -5.505 -1.059 5.506 1.00 0.00 O ATOM 0 H SER A 19 -5.929 1.986 3.251 1.00 0.00 H new ATOM 0 HA SER A 19 -3.864 1.214 4.994 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.076 0.903 5.752 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.597 0.156 4.255 1.00 0.00 H new ATOM 0 HG SER A 19 -5.168 -0.961 6.421 1.00 0.00 H new ATOM 311 N LEU A 20 -2.543 -0.554 3.928 1.00 0.00 N ATOM 312 CA LEU A 20 -1.712 -1.586 3.319 1.00 0.00 C ATOM 313 C LEU A 20 -1.673 -2.847 4.178 1.00 0.00 C ATOM 314 O LEU A 20 -1.945 -2.804 5.378 1.00 0.00 O ATOM 315 CB LEU A 20 -0.291 -1.057 3.105 1.00 0.00 C ATOM 316 CG LEU A 20 -0.038 -0.408 1.744 1.00 0.00 C ATOM 317 CD1 LEU A 20 -1.083 0.659 1.456 1.00 0.00 C ATOM 318 CD2 LEU A 20 1.362 0.187 1.693 1.00 0.00 C ATOM 0 H LEU A 20 -2.085 -0.032 4.675 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.151 -1.846 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.070 -0.328 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.410 -1.882 3.233 1.00 0.00 H new ATOM 0 HG LEU A 20 -0.115 -1.177 0.976 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.885 1.109 0.483 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.074 0.206 1.451 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.039 1.428 2.227 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.527 0.645 0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 20 1.465 0.943 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.098 -0.601 1.853 1.00 0.00 H new ATOM 330 N SER A 21 -1.326 -3.968 3.553 1.00 0.00 N ATOM 331 CA SER A 21 -1.241 -5.246 4.251 1.00 0.00 C ATOM 332 C SER A 21 0.088 -5.937 3.949 1.00 0.00 C ATOM 333 O SER A 21 0.716 -5.663 2.928 1.00 0.00 O ATOM 334 CB SER A 21 -2.405 -6.153 3.842 1.00 0.00 C ATOM 335 OG SER A 21 -3.650 -5.562 4.166 1.00 0.00 O ATOM 0 H SER A 21 -1.098 -4.017 2.560 1.00 0.00 H new ATOM 0 HA SER A 21 -1.299 -5.055 5.323 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.359 -6.348 2.770 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.314 -7.116 4.345 1.00 0.00 H new ATOM 0 HG SER A 21 -3.502 -4.782 4.740 1.00 0.00 H new ATOM 341 N PRO A 22 0.538 -6.841 4.834 1.00 0.00 N ATOM 342 CA PRO A 22 1.803 -7.563 4.651 1.00 0.00 C ATOM 343 C PRO A 22 1.762 -8.519 3.464 1.00 0.00 C ATOM 344 O PRO A 22 1.059 -9.529 3.490 1.00 0.00 O ATOM 345 CB PRO A 22 1.966 -8.341 5.961 1.00 0.00 C ATOM 346 CG PRO A 22 0.585 -8.472 6.504 1.00 0.00 C ATOM 347 CD PRO A 22 -0.145 -7.228 6.083 1.00 0.00 C ATOM 0 HA PRO A 22 2.629 -6.884 4.439 1.00 0.00 H new ATOM 0 HB2 PRO A 22 2.416 -9.318 5.787 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.616 -7.811 6.657 1.00 0.00 H new ATOM 0 HG2 PRO A 22 0.095 -9.363 6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 22 0.600 -8.567 7.590 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -1.205 -7.420 5.919 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.076 -6.446 6.839 1.00 0.00 H new ATOM 355 N ASN A 23 2.524 -8.195 2.422 1.00 0.00 N ATOM 356 CA ASN A 23 2.577 -9.024 1.224 1.00 0.00 C ATOM 357 C ASN A 23 4.007 -9.465 0.925 1.00 0.00 C ATOM 358 O ASN A 23 4.968 -8.891 1.438 1.00 0.00 O ATOM 359 CB ASN A 23 1.999 -8.272 0.023 1.00 0.00 C ATOM 360 CG ASN A 23 0.956 -9.085 -0.714 1.00 0.00 C ATOM 361 OD1 ASN A 23 0.972 -9.169 -1.943 1.00 0.00 O ATOM 362 ND2 ASN A 23 0.042 -9.689 0.033 1.00 0.00 N ATOM 0 H ASN A 23 3.113 -7.363 2.385 1.00 0.00 H new ATOM 0 HA ASN A 23 1.974 -9.913 1.407 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.555 -7.336 0.362 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.805 -8.012 -0.663 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.686 -10.251 -0.407 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.067 -9.592 1.048 1.00 0.00 H new ATOM 369 N GLU A 24 4.136 -10.494 0.093 1.00 0.00 N ATOM 370 CA GLU A 24 5.443 -11.026 -0.278 1.00 0.00 C ATOM 371 C GLU A 24 6.108 -10.161 -1.345 1.00 0.00 C ATOM 372 O GLU A 24 7.333 -10.056 -1.398 1.00 0.00 O ATOM 373 CB GLU A 24 5.298 -12.456 -0.799 1.00 0.00 C ATOM 374 CG GLU A 24 4.498 -12.554 -2.089 1.00 0.00 C ATOM 375 CD GLU A 24 4.098 -13.979 -2.420 1.00 0.00 C ATOM 376 OE1 GLU A 24 4.935 -14.716 -2.981 1.00 0.00 O ATOM 377 OE2 GLU A 24 2.946 -14.356 -2.117 1.00 0.00 O ATOM 0 H GLU A 24 3.348 -10.978 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 24 6.072 -11.022 0.612 1.00 0.00 H new ATOM 0 HB2 GLU A 24 6.290 -12.877 -0.963 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.816 -13.066 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.602 -11.939 -2.004 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.088 -12.146 -2.910 1.00 0.00 H new ATOM 384 N ILE A 25 5.294 -9.556 -2.199 1.00 0.00 N ATOM 385 CA ILE A 25 5.801 -8.713 -3.276 1.00 0.00 C ATOM 386 C ILE A 25 5.686 -7.227 -2.941 1.00 0.00 C ATOM 387 O ILE A 25 6.207 -6.380 -3.667 1.00 0.00 O ATOM 388 CB ILE A 25 5.058 -8.990 -4.594 1.00 0.00 C ATOM 389 CG1 ILE A 25 3.557 -8.711 -4.429 1.00 0.00 C ATOM 390 CG2 ILE A 25 5.307 -10.427 -5.033 1.00 0.00 C ATOM 391 CD1 ILE A 25 2.687 -9.368 -5.480 1.00 0.00 C ATOM 0 H ILE A 25 4.277 -9.633 -2.168 1.00 0.00 H new ATOM 0 HA ILE A 25 6.855 -8.963 -3.393 1.00 0.00 H new ATOM 0 HB ILE A 25 5.437 -8.323 -5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 25 3.241 -9.055 -3.444 1.00 0.00 H new ATOM 0 HG13 ILE A 25 3.393 -7.634 -4.459 1.00 0.00 H new ATOM 0 HG21 ILE A 25 4.779 -10.619 -5.967 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.376 -10.582 -5.182 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.945 -11.110 -4.265 1.00 0.00 H new ATOM 0 HD11 ILE A 25 1.642 -9.122 -5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.974 -9.006 -6.468 1.00 0.00 H new ATOM 0 HD13 ILE A 25 2.819 -10.449 -5.437 1.00 0.00 H new ATOM 403 N GLY A 26 5.010 -6.913 -1.843 1.00 0.00 N ATOM 404 CA GLY A 26 4.853 -5.528 -1.445 1.00 0.00 C ATOM 405 C GLY A 26 3.864 -5.360 -0.312 1.00 0.00 C ATOM 406 O GLY A 26 4.043 -5.925 0.765 1.00 0.00 O ATOM 0 H GLY A 26 4.569 -7.591 -1.222 1.00 0.00 H new ATOM 0 HA2 GLY A 26 5.821 -5.129 -1.141 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.522 -4.942 -2.302 1.00 0.00 H new ATOM 410 N CYS A 27 2.818 -4.577 -0.553 1.00 0.00 N ATOM 411 CA CYS A 27 1.803 -4.339 0.463 1.00 0.00 C ATOM 412 C CYS A 27 0.406 -4.317 -0.147 1.00 0.00 C ATOM 413 O CYS A 27 0.024 -3.356 -0.815 1.00 0.00 O ATOM 414 CB CYS A 27 2.075 -3.020 1.185 1.00 0.00 C ATOM 415 SG CYS A 27 3.178 -3.174 2.610 1.00 0.00 S ATOM 0 H CYS A 27 2.652 -4.099 -1.439 1.00 0.00 H new ATOM 0 HA CYS A 27 1.850 -5.158 1.181 1.00 0.00 H new ATOM 0 HB2 CYS A 27 2.509 -2.313 0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 27 1.127 -2.597 1.517 1.00 0.00 H new ATOM 0 HG CYS A 27 2.488 -3.511 3.659 1.00 0.00 H new ATOM 421 N THR A 28 -0.358 -5.378 0.095 1.00 0.00 N ATOM 422 CA THR A 28 -1.717 -5.475 -0.422 1.00 0.00 C ATOM 423 C THR A 28 -2.631 -4.479 0.284 1.00 0.00 C ATOM 424 O THR A 28 -2.800 -4.536 1.501 1.00 0.00 O ATOM 425 CB THR A 28 -2.258 -6.895 -0.242 1.00 0.00 C ATOM 426 OG1 THR A 28 -1.461 -7.829 -0.948 1.00 0.00 O ATOM 427 CG2 THR A 28 -3.689 -7.057 -0.718 1.00 0.00 C ATOM 0 H THR A 28 -0.058 -6.182 0.646 1.00 0.00 H new ATOM 0 HA THR A 28 -1.694 -5.238 -1.486 1.00 0.00 H new ATOM 0 HB THR A 28 -2.227 -7.082 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.972 -8.653 -1.092 1.00 0.00 H new ATOM 0 HG21 THR A 28 -4.010 -8.087 -0.562 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.338 -6.385 -0.156 1.00 0.00 H new ATOM 0 HG23 THR A 28 -3.749 -6.815 -1.779 1.00 0.00 H new ATOM 435 N ILE A 29 -3.221 -3.573 -0.485 1.00 0.00 N ATOM 436 CA ILE A 29 -4.118 -2.575 0.076 1.00 0.00 C ATOM 437 C ILE A 29 -5.319 -3.240 0.738 1.00 0.00 C ATOM 438 O ILE A 29 -6.227 -3.721 0.059 1.00 0.00 O ATOM 439 CB ILE A 29 -4.613 -1.588 -1.001 1.00 0.00 C ATOM 440 CG1 ILE A 29 -3.428 -0.994 -1.766 1.00 0.00 C ATOM 441 CG2 ILE A 29 -5.445 -0.483 -0.369 1.00 0.00 C ATOM 442 CD1 ILE A 29 -3.838 -0.136 -2.943 1.00 0.00 C ATOM 0 H ILE A 29 -3.094 -3.510 -1.495 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.552 -2.020 0.824 1.00 0.00 H new ATOM 0 HB ILE A 29 -5.242 -2.133 -1.705 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -2.828 -0.395 -1.082 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -2.792 -1.805 -2.122 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -5.786 0.204 -1.143 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -6.308 -0.920 0.134 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -4.839 0.060 0.356 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.948 0.252 -3.438 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.413 -0.736 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -4.449 0.696 -2.592 1.00 0.00 H new ATOM 454 N ALA A 30 -5.318 -3.264 2.066 1.00 0.00 N ATOM 455 CA ALA A 30 -6.406 -3.871 2.819 1.00 0.00 C ATOM 456 C ALA A 30 -7.653 -2.994 2.783 1.00 0.00 C ATOM 457 O ALA A 30 -8.776 -3.493 2.854 1.00 0.00 O ATOM 458 CB ALA A 30 -5.975 -4.125 4.256 1.00 0.00 C ATOM 0 H ALA A 30 -4.575 -2.870 2.643 1.00 0.00 H new ATOM 0 HA ALA A 30 -6.652 -4.825 2.352 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -6.798 -4.579 4.808 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -5.117 -4.798 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -5.701 -3.181 4.726 1.00 0.00 H new ATOM 464 N ASP A 31 -7.449 -1.685 2.671 1.00 0.00 N ATOM 465 CA ASP A 31 -8.561 -0.744 2.625 1.00 0.00 C ATOM 466 C ASP A 31 -8.138 0.572 1.988 1.00 0.00 C ATOM 467 O ASP A 31 -6.956 0.802 1.736 1.00 0.00 O ATOM 468 CB ASP A 31 -9.097 -0.480 4.032 1.00 0.00 C ATOM 469 CG ASP A 31 -10.273 -1.368 4.381 1.00 0.00 C ATOM 470 OD1 ASP A 31 -10.044 -2.534 4.768 1.00 0.00 O ATOM 471 OD2 ASP A 31 -11.425 -0.898 4.268 1.00 0.00 O ATOM 0 H ASP A 31 -6.527 -1.254 2.611 1.00 0.00 H new ATOM 0 HA ASP A 31 -9.348 -1.190 2.017 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -8.299 -0.638 4.757 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -9.398 0.564 4.112 1.00 0.00 H new ATOM 476 N LEU A 32 -9.115 1.435 1.736 1.00 0.00 N ATOM 477 CA LEU A 32 -8.854 2.723 1.136 1.00 0.00 C ATOM 478 C LEU A 32 -9.988 3.702 1.404 1.00 0.00 C ATOM 479 O LEU A 32 -11.156 3.407 1.145 1.00 0.00 O ATOM 480 CB LEU A 32 -8.636 2.567 -0.366 1.00 0.00 C ATOM 481 CG LEU A 32 -7.380 3.252 -0.877 1.00 0.00 C ATOM 482 CD1 LEU A 32 -6.476 2.264 -1.597 1.00 0.00 C ATOM 483 CD2 LEU A 32 -7.733 4.423 -1.782 1.00 0.00 C ATOM 0 H LEU A 32 -10.098 1.258 1.942 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.950 3.128 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.584 1.505 -0.608 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -9.500 2.972 -0.893 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.835 3.641 -0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -5.584 2.780 -1.953 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.186 1.469 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.009 1.834 -2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -6.818 4.898 -2.136 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.308 4.063 -2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.326 5.148 -1.224 1.00 0.00 H new ATOM 495 N ILE A 33 -9.630 4.874 1.912 1.00 0.00 N ATOM 496 CA ILE A 33 -10.609 5.909 2.206 1.00 0.00 C ATOM 497 C ILE A 33 -10.690 6.903 1.052 1.00 0.00 C ATOM 498 O ILE A 33 -9.842 7.782 0.909 1.00 0.00 O ATOM 499 CB ILE A 33 -10.267 6.668 3.506 1.00 0.00 C ATOM 500 CG1 ILE A 33 -8.882 7.310 3.412 1.00 0.00 C ATOM 501 CG2 ILE A 33 -10.363 5.750 4.702 1.00 0.00 C ATOM 502 CD1 ILE A 33 -8.269 7.654 4.755 1.00 0.00 C ATOM 0 H ILE A 33 -8.667 5.131 2.129 1.00 0.00 H new ATOM 0 HA ILE A 33 -11.571 5.415 2.339 1.00 0.00 H new ATOM 0 HB ILE A 33 -10.997 7.467 3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -8.214 6.631 2.882 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -8.954 8.218 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -10.118 6.305 5.607 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -11.377 5.358 4.780 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -9.663 4.923 4.583 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -7.288 8.105 4.603 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -8.915 8.358 5.280 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -8.163 6.747 5.350 1.00 0.00 H new ATOM 514 N GLN A 34 -11.713 6.746 0.221 1.00 0.00 N ATOM 515 CA GLN A 34 -11.900 7.620 -0.928 1.00 0.00 C ATOM 516 C GLN A 34 -12.299 9.023 -0.490 1.00 0.00 C ATOM 517 O GLN A 34 -13.002 9.200 0.507 1.00 0.00 O ATOM 518 CB GLN A 34 -12.954 7.033 -1.868 1.00 0.00 C ATOM 519 CG GLN A 34 -12.579 5.661 -2.406 1.00 0.00 C ATOM 520 CD GLN A 34 -13.544 5.165 -3.464 1.00 0.00 C ATOM 521 OE1 GLN A 34 -14.680 5.632 -3.554 1.00 0.00 O ATOM 522 NE2 GLN A 34 -13.094 4.213 -4.274 1.00 0.00 N ATOM 0 H GLN A 34 -12.425 6.022 0.322 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.952 7.693 -1.461 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.904 6.961 -1.339 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -13.106 7.715 -2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -11.574 5.702 -2.827 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.551 4.947 -1.583 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -12.145 3.855 -4.163 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.697 3.840 -5.007 1.00 0.00 H new ATOM 531 N GLY A 35 -11.833 10.022 -1.233 1.00 0.00 N ATOM 532 CA GLY A 35 -12.135 11.402 -0.901 1.00 0.00 C ATOM 533 C GLY A 35 -10.936 12.117 -0.308 1.00 0.00 C ATOM 534 O GLY A 35 -10.827 13.340 -0.395 1.00 0.00 O ATOM 0 H GLY A 35 -11.250 9.900 -2.061 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -12.464 11.927 -1.798 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -12.963 11.432 -0.192 1.00 0.00 H new ATOM 538 N GLN A 36 -10.035 11.345 0.292 1.00 0.00 N ATOM 539 CA GLN A 36 -8.832 11.897 0.903 1.00 0.00 C ATOM 540 C GLN A 36 -7.905 12.485 -0.157 1.00 0.00 C ATOM 541 O GLN A 36 -7.421 13.607 -0.016 1.00 0.00 O ATOM 542 CB GLN A 36 -8.112 10.811 1.708 1.00 0.00 C ATOM 543 CG GLN A 36 -8.571 10.716 3.154 1.00 0.00 C ATOM 544 CD GLN A 36 -10.080 10.666 3.291 1.00 0.00 C ATOM 545 OE1 GLN A 36 -10.685 9.595 3.227 1.00 0.00 O ATOM 546 NE2 GLN A 36 -10.697 11.826 3.480 1.00 0.00 N ATOM 0 H GLN A 36 -10.117 10.331 0.368 1.00 0.00 H new ATOM 0 HA GLN A 36 -9.121 12.703 1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.268 9.848 1.223 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.040 11.007 1.689 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -8.140 9.824 3.609 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -8.189 11.573 3.708 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -10.156 12.690 3.527 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -11.712 11.854 3.579 1.00 0.00 H new ATOM 555 N TYR A 37 -7.671 11.730 -1.221 1.00 0.00 N ATOM 556 CA TYR A 37 -6.810 12.192 -2.301 1.00 0.00 C ATOM 557 C TYR A 37 -7.426 11.865 -3.659 1.00 0.00 C ATOM 558 O TYR A 37 -8.005 10.795 -3.847 1.00 0.00 O ATOM 559 CB TYR A 37 -5.424 11.560 -2.184 1.00 0.00 C ATOM 560 CG TYR A 37 -4.425 12.383 -1.395 1.00 0.00 C ATOM 561 CD1 TYR A 37 -4.359 13.765 -1.536 1.00 0.00 C ATOM 562 CD2 TYR A 37 -3.533 11.773 -0.522 1.00 0.00 C ATOM 563 CE1 TYR A 37 -3.433 14.509 -0.831 1.00 0.00 C ATOM 564 CE2 TYR A 37 -2.603 12.510 0.182 1.00 0.00 C ATOM 565 CZ TYR A 37 -2.555 13.878 0.025 1.00 0.00 C ATOM 566 OH TYR A 37 -1.631 14.618 0.725 1.00 0.00 O ATOM 0 H TYR A 37 -8.063 10.799 -1.360 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.710 13.274 -2.219 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.523 10.582 -1.713 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.028 11.393 -3.186 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.042 14.264 -2.207 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -3.568 10.701 -0.392 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -3.397 15.582 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.916 12.017 0.853 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.805 14.688 0.203 1.00 0.00 H new ATOM 576 N PRO A 38 -7.316 12.793 -4.628 1.00 0.00 N ATOM 577 CA PRO A 38 -7.873 12.604 -5.970 1.00 0.00 C ATOM 578 C PRO A 38 -7.151 11.521 -6.766 1.00 0.00 C ATOM 579 O PRO A 38 -7.784 10.628 -7.330 1.00 0.00 O ATOM 580 CB PRO A 38 -7.679 13.970 -6.633 1.00 0.00 C ATOM 581 CG PRO A 38 -6.552 14.601 -5.896 1.00 0.00 C ATOM 582 CD PRO A 38 -6.647 14.099 -4.483 1.00 0.00 C ATOM 0 HA PRO A 38 -8.911 12.274 -5.929 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.447 13.865 -7.693 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.583 14.574 -6.563 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.595 14.331 -6.342 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.624 15.688 -5.929 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.663 13.998 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.223 14.778 -3.853 1.00 0.00 H new ATOM 590 N GLU A 39 -5.825 11.604 -6.814 1.00 0.00 N ATOM 591 CA GLU A 39 -5.026 10.629 -7.550 1.00 0.00 C ATOM 592 C GLU A 39 -5.252 9.221 -7.013 1.00 0.00 C ATOM 593 O GLU A 39 -5.509 8.290 -7.776 1.00 0.00 O ATOM 594 CB GLU A 39 -3.540 10.985 -7.466 1.00 0.00 C ATOM 595 CG GLU A 39 -3.093 11.985 -8.520 1.00 0.00 C ATOM 596 CD GLU A 39 -2.453 11.318 -9.722 1.00 0.00 C ATOM 597 OE1 GLU A 39 -2.864 10.188 -10.063 1.00 0.00 O ATOM 598 OE2 GLU A 39 -1.543 11.925 -10.324 1.00 0.00 O ATOM 0 H GLU A 39 -5.282 12.334 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.341 10.656 -8.593 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.328 11.393 -6.478 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.950 10.074 -7.568 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.952 12.570 -8.848 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.383 12.683 -8.076 1.00 0.00 H new ATOM 605 N ILE A 40 -5.152 9.071 -5.697 1.00 0.00 N ATOM 606 CA ILE A 40 -5.345 7.773 -5.062 1.00 0.00 C ATOM 607 C ILE A 40 -6.702 7.181 -5.424 1.00 0.00 C ATOM 608 O ILE A 40 -6.790 6.048 -5.894 1.00 0.00 O ATOM 609 CB ILE A 40 -5.234 7.870 -3.530 1.00 0.00 C ATOM 610 CG1 ILE A 40 -4.013 8.709 -3.132 1.00 0.00 C ATOM 611 CG2 ILE A 40 -5.157 6.474 -2.923 1.00 0.00 C ATOM 612 CD1 ILE A 40 -3.660 8.612 -1.665 1.00 0.00 C ATOM 0 H ILE A 40 -4.939 9.831 -5.050 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.554 7.121 -5.434 1.00 0.00 H new ATOM 0 HB ILE A 40 -6.124 8.366 -3.142 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.156 8.390 -3.725 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.203 9.753 -3.382 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -5.079 6.553 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -6.056 5.914 -3.182 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -4.281 5.955 -3.313 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.787 9.231 -1.459 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.501 8.959 -1.065 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.437 7.575 -1.412 1.00 0.00 H new ATOM 624 N ASP A 41 -7.758 7.959 -5.207 1.00 0.00 N ATOM 625 CA ASP A 41 -9.112 7.515 -5.518 1.00 0.00 C ATOM 626 C ASP A 41 -9.238 7.155 -6.995 1.00 0.00 C ATOM 627 O ASP A 41 -10.029 6.289 -7.369 1.00 0.00 O ATOM 628 CB ASP A 41 -10.124 8.603 -5.158 1.00 0.00 C ATOM 629 CG ASP A 41 -11.558 8.121 -5.280 1.00 0.00 C ATOM 630 OD1 ASP A 41 -11.773 6.892 -5.272 1.00 0.00 O ATOM 631 OD2 ASP A 41 -12.463 8.976 -5.385 1.00 0.00 O ATOM 0 H ASP A 41 -7.702 8.900 -4.817 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.322 6.625 -4.925 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.943 8.941 -4.138 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.976 9.464 -5.810 1.00 0.00 H new ATOM 636 N SER A 42 -8.450 7.827 -7.829 1.00 0.00 N ATOM 637 CA SER A 42 -8.468 7.585 -9.267 1.00 0.00 C ATOM 638 C SER A 42 -7.350 6.634 -9.684 1.00 0.00 C ATOM 639 O SER A 42 -7.187 6.338 -10.867 1.00 0.00 O ATOM 640 CB SER A 42 -8.319 8.905 -10.023 1.00 0.00 C ATOM 641 OG SER A 42 -9.568 9.560 -10.163 1.00 0.00 O ATOM 0 H SER A 42 -7.789 8.545 -7.532 1.00 0.00 H new ATOM 0 HA SER A 42 -9.424 7.124 -9.515 1.00 0.00 H new ATOM 0 HB2 SER A 42 -7.623 9.554 -9.492 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.892 8.717 -11.008 1.00 0.00 H new ATOM 0 HG SER A 42 -9.443 10.402 -10.649 1.00 0.00 H new ATOM 647 N LYS A 43 -6.571 6.170 -8.711 1.00 0.00 N ATOM 648 CA LYS A 43 -5.462 5.272 -8.992 1.00 0.00 C ATOM 649 C LYS A 43 -5.543 4.002 -8.153 1.00 0.00 C ATOM 650 O LYS A 43 -5.851 2.926 -8.664 1.00 0.00 O ATOM 651 CB LYS A 43 -4.139 5.988 -8.723 1.00 0.00 C ATOM 652 CG LYS A 43 -3.796 7.036 -9.767 1.00 0.00 C ATOM 653 CD LYS A 43 -2.459 6.763 -10.437 1.00 0.00 C ATOM 654 CE LYS A 43 -2.644 6.343 -11.887 1.00 0.00 C ATOM 655 NZ LYS A 43 -1.391 6.499 -12.677 1.00 0.00 N ATOM 0 H LYS A 43 -6.689 6.402 -7.725 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.519 4.984 -10.042 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.185 6.464 -7.743 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.337 5.251 -8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.581 7.063 -10.523 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.771 8.019 -9.298 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -1.838 7.657 -10.392 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.931 5.980 -9.894 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.969 5.303 -11.925 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.435 6.941 -12.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.561 6.202 -13.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.094 7.495 -12.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.643 5.909 -12.261 1.00 0.00 H new ATOM 669 N LEU A 44 -5.245 4.134 -6.868 1.00 0.00 N ATOM 670 CA LEU A 44 -5.263 2.996 -5.957 1.00 0.00 C ATOM 671 C LEU A 44 -6.683 2.544 -5.640 1.00 0.00 C ATOM 672 O LEU A 44 -7.634 3.320 -5.730 1.00 0.00 O ATOM 673 CB LEU A 44 -4.522 3.340 -4.665 1.00 0.00 C ATOM 674 CG LEU A 44 -3.027 3.628 -4.832 1.00 0.00 C ATOM 675 CD1 LEU A 44 -2.330 3.641 -3.481 1.00 0.00 C ATOM 676 CD2 LEU A 44 -2.384 2.603 -5.755 1.00 0.00 C ATOM 0 H LEU A 44 -4.987 5.019 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.756 2.170 -6.456 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.996 4.211 -4.213 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -4.641 2.513 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.917 4.614 -5.284 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.269 3.847 -3.621 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.770 4.415 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.451 2.670 -3.000 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -1.322 2.825 -5.861 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.506 1.606 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.863 2.644 -6.733 1.00 0.00 H new ATOM 688 N GLN A 45 -6.810 1.275 -5.263 1.00 0.00 N ATOM 689 CA GLN A 45 -8.102 0.693 -4.921 1.00 0.00 C ATOM 690 C GLN A 45 -7.928 -0.435 -3.911 1.00 0.00 C ATOM 691 O GLN A 45 -6.819 -0.690 -3.439 1.00 0.00 O ATOM 692 CB GLN A 45 -8.799 0.168 -6.179 1.00 0.00 C ATOM 693 CG GLN A 45 -10.310 0.324 -6.147 1.00 0.00 C ATOM 694 CD GLN A 45 -10.860 0.940 -7.419 1.00 0.00 C ATOM 695 OE1 GLN A 45 -11.639 1.891 -7.375 1.00 0.00 O ATOM 696 NE2 GLN A 45 -10.455 0.397 -8.562 1.00 0.00 N ATOM 0 H GLN A 45 -6.026 0.626 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.722 1.470 -4.474 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.406 0.695 -7.049 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.554 -0.886 -6.307 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -10.769 -0.652 -5.993 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.589 0.946 -5.296 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.808 -0.391 -8.551 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.791 0.768 -9.450 1.00 0.00 H new ATOM 705 N ARG A 46 -9.023 -1.109 -3.580 1.00 0.00 N ATOM 706 CA ARG A 46 -8.982 -2.207 -2.623 1.00 0.00 C ATOM 707 C ARG A 46 -8.737 -3.540 -3.328 1.00 0.00 C ATOM 708 O ARG A 46 -9.666 -4.153 -3.853 1.00 0.00 O ATOM 709 CB ARG A 46 -10.289 -2.269 -1.831 1.00 0.00 C ATOM 710 CG ARG A 46 -10.417 -1.175 -0.783 1.00 0.00 C ATOM 711 CD ARG A 46 -11.822 -0.596 -0.745 1.00 0.00 C ATOM 712 NE ARG A 46 -12.594 -1.104 0.387 1.00 0.00 N ATOM 713 CZ ARG A 46 -13.779 -0.619 0.755 1.00 0.00 C ATOM 714 NH1 ARG A 46 -14.329 0.385 0.082 1.00 0.00 N ATOM 715 NH2 ARG A 46 -14.413 -1.137 1.798 1.00 0.00 N ATOM 0 H ARG A 46 -9.949 -0.914 -3.960 1.00 0.00 H new ATOM 0 HA ARG A 46 -8.156 -2.024 -1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.128 -2.197 -2.524 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.362 -3.240 -1.341 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.163 -1.578 0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -9.702 -0.381 -0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.765 0.491 -0.686 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.339 -0.838 -1.674 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.202 -1.875 0.927 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.844 0.788 -0.720 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -15.236 0.753 0.367 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -13.993 -1.907 2.319 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.320 -0.765 2.079 1.00 0.00 H new ATOM 729 N GLY A 47 -7.483 -3.983 -3.332 1.00 0.00 N ATOM 730 CA GLY A 47 -7.148 -5.242 -3.973 1.00 0.00 C ATOM 731 C GLY A 47 -5.765 -5.240 -4.601 1.00 0.00 C ATOM 732 O GLY A 47 -5.205 -6.301 -4.880 1.00 0.00 O ATOM 0 H GLY A 47 -6.696 -3.495 -2.905 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.206 -6.044 -3.237 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.889 -5.460 -4.742 1.00 0.00 H new ATOM 736 N ASP A 48 -5.212 -4.052 -4.831 1.00 0.00 N ATOM 737 CA ASP A 48 -3.889 -3.929 -5.436 1.00 0.00 C ATOM 738 C ASP A 48 -2.787 -4.086 -4.392 1.00 0.00 C ATOM 739 O ASP A 48 -3.033 -3.969 -3.192 1.00 0.00 O ATOM 740 CB ASP A 48 -3.751 -2.579 -6.140 1.00 0.00 C ATOM 741 CG ASP A 48 -4.684 -2.447 -7.327 1.00 0.00 C ATOM 742 OD1 ASP A 48 -5.796 -3.016 -7.275 1.00 0.00 O ATOM 743 OD2 ASP A 48 -4.306 -1.776 -8.309 1.00 0.00 O ATOM 0 H ASP A 48 -5.659 -3.162 -4.608 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.781 -4.729 -6.169 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.957 -1.779 -5.429 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.722 -2.451 -6.475 1.00 0.00 H new ATOM 748 N ILE A 49 -1.572 -4.353 -4.862 1.00 0.00 N ATOM 749 CA ILE A 49 -0.426 -4.528 -3.975 1.00 0.00 C ATOM 750 C ILE A 49 0.741 -3.653 -4.415 1.00 0.00 C ATOM 751 O ILE A 49 1.242 -3.790 -5.530 1.00 0.00 O ATOM 752 CB ILE A 49 0.048 -5.996 -3.942 1.00 0.00 C ATOM 753 CG1 ILE A 49 -1.150 -6.951 -3.922 1.00 0.00 C ATOM 754 CG2 ILE A 49 0.950 -6.233 -2.742 1.00 0.00 C ATOM 755 CD1 ILE A 49 -1.277 -7.786 -5.176 1.00 0.00 C ATOM 0 H ILE A 49 -1.355 -4.453 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.754 -4.235 -2.978 1.00 0.00 H new ATOM 0 HB ILE A 49 0.622 -6.195 -4.847 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.062 -7.614 -3.061 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -2.064 -6.372 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.276 -7.273 -2.732 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.820 -5.580 -2.806 1.00 0.00 H new ATOM 0 HG23 ILE A 49 0.401 -6.016 -1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.146 -8.438 -5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.397 -7.131 -6.039 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.380 -8.392 -5.302 1.00 0.00 H new ATOM 767 N ILE A 50 1.180 -2.761 -3.534 1.00 0.00 N ATOM 768 CA ILE A 50 2.296 -1.881 -3.852 1.00 0.00 C ATOM 769 C ILE A 50 3.610 -2.645 -3.810 1.00 0.00 C ATOM 770 O ILE A 50 4.167 -2.887 -2.739 1.00 0.00 O ATOM 771 CB ILE A 50 2.382 -0.688 -2.881 1.00 0.00 C ATOM 772 CG1 ILE A 50 1.030 0.017 -2.785 1.00 0.00 C ATOM 773 CG2 ILE A 50 3.463 0.283 -3.329 1.00 0.00 C ATOM 774 CD1 ILE A 50 0.711 0.519 -1.398 1.00 0.00 C ATOM 0 H ILE A 50 0.784 -2.629 -2.603 1.00 0.00 H new ATOM 0 HA ILE A 50 2.120 -1.500 -4.858 1.00 0.00 H new ATOM 0 HB ILE A 50 2.646 -1.062 -1.892 1.00 0.00 H new ATOM 0 HG12 ILE A 50 1.017 0.857 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 50 0.247 -0.671 -3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 50 3.511 1.120 -2.633 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.426 -0.228 -3.349 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.228 0.654 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.263 1.009 -1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.691 -0.320 -0.703 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.474 1.232 -1.085 1.00 0.00 H new ATOM 786 N THR A 51 4.099 -3.023 -4.983 1.00 0.00 N ATOM 787 CA THR A 51 5.349 -3.766 -5.089 1.00 0.00 C ATOM 788 C THR A 51 6.530 -2.828 -5.340 1.00 0.00 C ATOM 789 O THR A 51 7.687 -3.251 -5.312 1.00 0.00 O ATOM 790 CB THR A 51 5.252 -4.809 -6.206 1.00 0.00 C ATOM 791 OG1 THR A 51 5.422 -4.205 -7.476 1.00 0.00 O ATOM 792 CG2 THR A 51 3.930 -5.549 -6.221 1.00 0.00 C ATOM 0 H THR A 51 3.649 -2.827 -5.877 1.00 0.00 H new ATOM 0 HA THR A 51 5.520 -4.276 -4.141 1.00 0.00 H new ATOM 0 HB THR A 51 6.048 -5.524 -6.001 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.358 -4.889 -8.175 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.927 -6.273 -7.036 1.00 0.00 H new ATOM 0 HG22 THR A 51 3.794 -6.070 -5.273 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.117 -4.838 -6.365 1.00 0.00 H new ATOM 800 N LYS A 52 6.234 -1.550 -5.572 1.00 0.00 N ATOM 801 CA LYS A 52 7.266 -0.549 -5.811 1.00 0.00 C ATOM 802 C LYS A 52 6.884 0.762 -5.135 1.00 0.00 C ATOM 803 O LYS A 52 5.703 1.084 -5.010 1.00 0.00 O ATOM 804 CB LYS A 52 7.468 -0.330 -7.313 1.00 0.00 C ATOM 805 CG LYS A 52 8.809 -0.828 -7.825 1.00 0.00 C ATOM 806 CD LYS A 52 9.627 0.295 -8.442 1.00 0.00 C ATOM 807 CE LYS A 52 10.785 -0.245 -9.266 1.00 0.00 C ATOM 808 NZ LYS A 52 11.167 0.684 -10.364 1.00 0.00 N ATOM 0 H LYS A 52 5.282 -1.185 -5.599 1.00 0.00 H new ATOM 0 HA LYS A 52 8.204 -0.908 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.670 -0.837 -7.856 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.377 0.734 -7.532 1.00 0.00 H new ATOM 0 HG2 LYS A 52 9.368 -1.277 -7.004 1.00 0.00 H new ATOM 0 HG3 LYS A 52 8.648 -1.611 -8.566 1.00 0.00 H new ATOM 0 HD2 LYS A 52 8.985 0.909 -9.074 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.011 0.942 -7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.645 -0.413 -8.617 1.00 0.00 H new ATOM 0 HE3 LYS A 52 10.510 -1.212 -9.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 11.960 0.279 -10.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.355 0.825 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.454 1.599 -9.961 1.00 0.00 H new ATOM 822 N PHE A 53 7.883 1.510 -4.686 1.00 0.00 N ATOM 823 CA PHE A 53 7.634 2.774 -4.008 1.00 0.00 C ATOM 824 C PHE A 53 8.807 3.736 -4.182 1.00 0.00 C ATOM 825 O PHE A 53 9.887 3.521 -3.631 1.00 0.00 O ATOM 826 CB PHE A 53 7.369 2.514 -2.524 1.00 0.00 C ATOM 827 CG PHE A 53 7.170 3.758 -1.710 1.00 0.00 C ATOM 828 CD1 PHE A 53 8.256 4.500 -1.279 1.00 0.00 C ATOM 829 CD2 PHE A 53 5.897 4.178 -1.368 1.00 0.00 C ATOM 830 CE1 PHE A 53 8.076 5.639 -0.520 1.00 0.00 C ATOM 831 CE2 PHE A 53 5.708 5.316 -0.612 1.00 0.00 C ATOM 832 CZ PHE A 53 6.799 6.047 -0.186 1.00 0.00 C ATOM 0 H PHE A 53 8.869 1.265 -4.779 1.00 0.00 H new ATOM 0 HA PHE A 53 6.757 3.242 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 53 6.484 1.885 -2.429 1.00 0.00 H new ATOM 0 HB3 PHE A 53 8.206 1.952 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 53 9.255 4.184 -1.539 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.041 3.608 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.931 6.209 -0.188 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.709 5.635 -0.354 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.654 6.937 0.408 1.00 0.00 H new ATOM 842 N ASN A 54 8.584 4.796 -4.953 1.00 0.00 N ATOM 843 CA ASN A 54 9.616 5.797 -5.205 1.00 0.00 C ATOM 844 C ASN A 54 10.887 5.144 -5.742 1.00 0.00 C ATOM 845 O ASN A 54 11.990 5.423 -5.273 1.00 0.00 O ATOM 846 CB ASN A 54 9.924 6.576 -3.922 1.00 0.00 C ATOM 847 CG ASN A 54 9.200 7.908 -3.869 1.00 0.00 C ATOM 848 OD1 ASN A 54 9.623 8.882 -4.493 1.00 0.00 O ATOM 849 ND2 ASN A 54 8.104 7.958 -3.121 1.00 0.00 N ATOM 0 H ASN A 54 7.695 4.985 -5.416 1.00 0.00 H new ATOM 0 HA ASN A 54 9.242 6.490 -5.959 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.639 5.976 -3.058 1.00 0.00 H new ATOM 0 HB3 ASN A 54 10.998 6.746 -3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.577 8.828 -3.047 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.790 7.127 -2.621 1.00 0.00 H new ATOM 856 N GLY A 55 10.724 4.269 -6.728 1.00 0.00 N ATOM 857 CA GLY A 55 11.865 3.586 -7.308 1.00 0.00 C ATOM 858 C GLY A 55 12.515 2.627 -6.333 1.00 0.00 C ATOM 859 O GLY A 55 13.701 2.316 -6.454 1.00 0.00 O ATOM 0 H GLY A 55 9.823 4.021 -7.136 1.00 0.00 H new ATOM 0 HA2 GLY A 55 11.546 3.039 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.599 4.322 -7.635 1.00 0.00 H new ATOM 863 N ASP A 56 11.738 2.158 -5.362 1.00 0.00 N ATOM 864 CA ASP A 56 12.241 1.228 -4.359 1.00 0.00 C ATOM 865 C ASP A 56 11.398 -0.042 -4.335 1.00 0.00 C ATOM 866 O ASP A 56 10.295 -0.058 -3.789 1.00 0.00 O ATOM 867 CB ASP A 56 12.238 1.883 -2.977 1.00 0.00 C ATOM 868 CG ASP A 56 13.015 1.079 -1.953 1.00 0.00 C ATOM 869 OD1 ASP A 56 12.438 0.129 -1.383 1.00 0.00 O ATOM 870 OD2 ASP A 56 14.200 1.397 -1.724 1.00 0.00 O ATOM 0 H ASP A 56 10.756 2.408 -5.249 1.00 0.00 H new ATOM 0 HA ASP A 56 13.265 0.963 -4.622 1.00 0.00 H new ATOM 0 HB2 ASP A 56 12.667 2.882 -3.051 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.209 2.002 -2.637 1.00 0.00 H new ATOM 875 N ALA A 57 11.924 -1.104 -4.936 1.00 0.00 N ATOM 876 CA ALA A 57 11.220 -2.379 -4.990 1.00 0.00 C ATOM 877 C ALA A 57 10.789 -2.837 -3.600 1.00 0.00 C ATOM 878 O ALA A 57 11.625 -3.146 -2.751 1.00 0.00 O ATOM 879 CB ALA A 57 12.095 -3.436 -5.647 1.00 0.00 C ATOM 0 H ALA A 57 12.836 -1.106 -5.393 1.00 0.00 H new ATOM 0 HA ALA A 57 10.320 -2.240 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.557 -4.384 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 57 12.344 -3.123 -6.661 1.00 0.00 H new ATOM 0 HB3 ALA A 57 13.012 -3.559 -5.070 1.00 0.00 H new ATOM 885 N LEU A 58 9.479 -2.884 -3.380 1.00 0.00 N ATOM 886 CA LEU A 58 8.936 -3.313 -2.095 1.00 0.00 C ATOM 887 C LEU A 58 8.707 -4.827 -2.076 1.00 0.00 C ATOM 888 O LEU A 58 8.019 -5.345 -1.198 1.00 0.00 O ATOM 889 CB LEU A 58 7.619 -2.583 -1.803 1.00 0.00 C ATOM 890 CG LEU A 58 7.626 -1.079 -2.095 1.00 0.00 C ATOM 891 CD1 LEU A 58 6.216 -0.506 -2.011 1.00 0.00 C ATOM 892 CD2 LEU A 58 8.554 -0.351 -1.134 1.00 0.00 C ATOM 0 H LEU A 58 8.775 -2.631 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 58 9.662 -3.063 -1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.827 -3.047 -2.391 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.365 -2.732 -0.753 1.00 0.00 H new ATOM 0 HG LEU A 58 7.996 -0.932 -3.110 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.245 0.563 -2.222 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.577 -1.003 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.817 -0.668 -1.010 1.00 0.00 H new ATOM 0 HD21 LEU A 58 8.545 0.716 -1.358 1.00 0.00 H new ATOM 0 HD22 LEU A 58 8.215 -0.510 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.568 -0.737 -1.245 1.00 0.00 H new ATOM 904 N GLU A 59 9.287 -5.528 -3.049 1.00 0.00 N ATOM 905 CA GLU A 59 9.142 -6.976 -3.142 1.00 0.00 C ATOM 906 C GLU A 59 10.055 -7.687 -2.150 1.00 0.00 C ATOM 907 O GLU A 59 11.182 -7.260 -1.907 1.00 0.00 O ATOM 908 CB GLU A 59 9.451 -7.449 -4.564 1.00 0.00 C ATOM 909 CG GLU A 59 8.984 -8.867 -4.850 1.00 0.00 C ATOM 910 CD GLU A 59 9.887 -9.594 -5.827 1.00 0.00 C ATOM 911 OE1 GLU A 59 10.958 -10.073 -5.399 1.00 0.00 O ATOM 912 OE2 GLU A 59 9.524 -9.682 -7.018 1.00 0.00 O ATOM 0 H GLU A 59 9.862 -5.115 -3.783 1.00 0.00 H new ATOM 0 HA GLU A 59 8.110 -7.225 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.979 -6.770 -5.274 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.526 -7.389 -4.732 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.941 -9.427 -3.916 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.971 -8.838 -5.251 1.00 0.00 H new ATOM 919 N GLY A 60 9.556 -8.781 -1.584 1.00 0.00 N ATOM 920 CA GLY A 60 10.332 -9.546 -0.628 1.00 0.00 C ATOM 921 C GLY A 60 10.747 -8.727 0.580 1.00 0.00 C ATOM 922 O GLY A 60 11.758 -9.020 1.217 1.00 0.00 O ATOM 0 H GLY A 60 8.625 -9.152 -1.772 1.00 0.00 H new ATOM 0 HA2 GLY A 60 9.748 -10.404 -0.296 1.00 0.00 H new ATOM 0 HA3 GLY A 60 11.223 -9.937 -1.120 1.00 0.00 H new ATOM 926 N LEU A 61 9.967 -7.699 0.896 1.00 0.00 N ATOM 927 CA LEU A 61 10.262 -6.838 2.035 1.00 0.00 C ATOM 928 C LEU A 61 9.116 -6.857 3.046 1.00 0.00 C ATOM 929 O LEU A 61 7.945 -6.871 2.666 1.00 0.00 O ATOM 930 CB LEU A 61 10.513 -5.404 1.563 1.00 0.00 C ATOM 931 CG LEU A 61 11.858 -5.178 0.867 1.00 0.00 C ATOM 932 CD1 LEU A 61 11.949 -3.757 0.334 1.00 0.00 C ATOM 933 CD2 LEU A 61 13.005 -5.467 1.823 1.00 0.00 C ATOM 0 H LEU A 61 9.126 -7.442 0.379 1.00 0.00 H new ATOM 0 HA LEU A 61 11.160 -7.218 2.523 1.00 0.00 H new ATOM 0 HB2 LEU A 61 9.714 -5.118 0.879 1.00 0.00 H new ATOM 0 HB3 LEU A 61 10.450 -4.738 2.423 1.00 0.00 H new ATOM 0 HG LEU A 61 11.932 -5.865 0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 61 12.911 -3.614 -0.158 1.00 0.00 H new ATOM 0 HD12 LEU A 61 11.146 -3.585 -0.383 1.00 0.00 H new ATOM 0 HD13 LEU A 61 11.855 -3.052 1.160 1.00 0.00 H new ATOM 0 HD21 LEU A 61 13.954 -5.302 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 61 12.936 -4.804 2.685 1.00 0.00 H new ATOM 0 HD23 LEU A 61 12.948 -6.503 2.157 1.00 0.00 H new ATOM 945 N PRO A 62 9.437 -6.857 4.354 1.00 0.00 N ATOM 946 CA PRO A 62 8.423 -6.872 5.415 1.00 0.00 C ATOM 947 C PRO A 62 7.436 -5.717 5.284 1.00 0.00 C ATOM 948 O PRO A 62 7.378 -5.052 4.251 1.00 0.00 O ATOM 949 CB PRO A 62 9.242 -6.729 6.702 1.00 0.00 C ATOM 950 CG PRO A 62 10.606 -7.208 6.343 1.00 0.00 C ATOM 951 CD PRO A 62 10.807 -6.839 4.900 1.00 0.00 C ATOM 0 HA PRO A 62 7.816 -7.776 5.382 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.264 -5.694 7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 62 8.815 -7.323 7.510 1.00 0.00 H new ATOM 0 HG2 PRO A 62 11.362 -6.741 6.974 1.00 0.00 H new ATOM 0 HG3 PRO A 62 10.692 -8.285 6.486 1.00 0.00 H new ATOM 0 HD2 PRO A 62 11.269 -5.857 4.796 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.454 -7.552 4.388 1.00 0.00 H new ATOM 959 N PHE A 63 6.661 -5.482 6.339 1.00 0.00 N ATOM 960 CA PHE A 63 5.679 -4.405 6.336 1.00 0.00 C ATOM 961 C PHE A 63 6.190 -3.193 7.111 1.00 0.00 C ATOM 962 O PHE A 63 5.763 -2.067 6.864 1.00 0.00 O ATOM 963 CB PHE A 63 4.356 -4.883 6.936 1.00 0.00 C ATOM 964 CG PHE A 63 3.207 -3.955 6.661 1.00 0.00 C ATOM 965 CD1 PHE A 63 2.913 -2.915 7.528 1.00 0.00 C ATOM 966 CD2 PHE A 63 2.421 -4.124 5.534 1.00 0.00 C ATOM 967 CE1 PHE A 63 1.857 -2.060 7.275 1.00 0.00 C ATOM 968 CE2 PHE A 63 1.363 -3.274 5.276 1.00 0.00 C ATOM 969 CZ PHE A 63 1.080 -2.241 6.147 1.00 0.00 C ATOM 0 H PHE A 63 6.694 -6.022 7.204 1.00 0.00 H new ATOM 0 HA PHE A 63 5.514 -4.109 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.120 -5.870 6.537 1.00 0.00 H new ATOM 0 HB3 PHE A 63 4.474 -4.995 8.014 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.516 -2.771 8.412 1.00 0.00 H new ATOM 0 HD2 PHE A 63 2.637 -4.930 4.848 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.640 -1.252 7.958 1.00 0.00 H new ATOM 0 HE2 PHE A 63 0.758 -3.418 4.393 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.253 -1.576 5.947 1.00 0.00 H new ATOM 979 N GLN A 64 7.103 -3.429 8.046 1.00 0.00 N ATOM 980 CA GLN A 64 7.665 -2.349 8.850 1.00 0.00 C ATOM 981 C GLN A 64 8.311 -1.293 7.958 1.00 0.00 C ATOM 982 O GLN A 64 8.102 -0.094 8.148 1.00 0.00 O ATOM 983 CB GLN A 64 8.693 -2.901 9.841 1.00 0.00 C ATOM 984 CG GLN A 64 9.742 -3.795 9.199 1.00 0.00 C ATOM 985 CD GLN A 64 10.067 -5.011 10.044 1.00 0.00 C ATOM 986 OE1 GLN A 64 11.079 -5.044 10.742 1.00 0.00 O ATOM 987 NE2 GLN A 64 9.205 -6.020 9.984 1.00 0.00 N ATOM 0 H GLN A 64 7.469 -4.355 8.266 1.00 0.00 H new ATOM 0 HA GLN A 64 6.854 -1.882 9.408 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.192 -2.067 10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 64 8.172 -3.465 10.615 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.387 -4.121 8.221 1.00 0.00 H new ATOM 0 HG3 GLN A 64 10.652 -3.219 9.032 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.378 -5.950 9.391 1.00 0.00 H new ATOM 0 HE22 GLN A 64 9.370 -6.865 10.531 1.00 0.00 H new ATOM 996 N VAL A 65 9.094 -1.746 6.986 1.00 0.00 N ATOM 997 CA VAL A 65 9.767 -0.843 6.062 1.00 0.00 C ATOM 998 C VAL A 65 8.761 -0.144 5.153 1.00 0.00 C ATOM 999 O VAL A 65 8.776 1.080 5.019 1.00 0.00 O ATOM 1000 CB VAL A 65 10.796 -1.590 5.193 1.00 0.00 C ATOM 1001 CG1 VAL A 65 11.601 -0.609 4.354 1.00 0.00 C ATOM 1002 CG2 VAL A 65 11.714 -2.439 6.060 1.00 0.00 C ATOM 0 H VAL A 65 9.278 -2.735 6.818 1.00 0.00 H new ATOM 0 HA VAL A 65 10.288 -0.100 6.666 1.00 0.00 H new ATOM 0 HB VAL A 65 10.257 -2.254 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 65 12.323 -1.156 3.747 1.00 0.00 H new ATOM 0 HG12 VAL A 65 10.929 -0.050 3.703 1.00 0.00 H new ATOM 0 HG13 VAL A 65 12.129 0.083 5.010 1.00 0.00 H new ATOM 0 HG21 VAL A 65 12.434 -2.959 5.428 1.00 0.00 H new ATOM 0 HG22 VAL A 65 12.245 -1.798 6.763 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.121 -3.169 6.611 1.00 0.00 H new ATOM 1012 N CYS A 66 7.884 -0.930 4.534 1.00 0.00 N ATOM 1013 CA CYS A 66 6.867 -0.389 3.639 1.00 0.00 C ATOM 1014 C CYS A 66 6.021 0.662 4.352 1.00 0.00 C ATOM 1015 O CYS A 66 5.802 1.754 3.834 1.00 0.00 O ATOM 1016 CB CYS A 66 5.974 -1.511 3.108 1.00 0.00 C ATOM 1017 SG CYS A 66 5.784 -1.511 1.310 1.00 0.00 S ATOM 0 H CYS A 66 7.858 -1.945 4.636 1.00 0.00 H new ATOM 0 HA CYS A 66 7.372 0.087 2.799 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.389 -2.470 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 66 4.989 -1.426 3.567 1.00 0.00 H new ATOM 0 HG CYS A 66 4.710 -2.168 0.987 1.00 0.00 H new ATOM 1023 N TYR A 67 5.553 0.323 5.547 1.00 0.00 N ATOM 1024 CA TYR A 67 4.735 1.238 6.332 1.00 0.00 C ATOM 1025 C TYR A 67 5.533 2.479 6.726 1.00 0.00 C ATOM 1026 O TYR A 67 4.976 3.568 6.873 1.00 0.00 O ATOM 1027 CB TYR A 67 4.212 0.544 7.590 1.00 0.00 C ATOM 1028 CG TYR A 67 2.998 1.220 8.183 1.00 0.00 C ATOM 1029 CD1 TYR A 67 1.776 1.196 7.523 1.00 0.00 C ATOM 1030 CD2 TYR A 67 3.075 1.889 9.398 1.00 0.00 C ATOM 1031 CE1 TYR A 67 0.663 1.818 8.059 1.00 0.00 C ATOM 1032 CE2 TYR A 67 1.968 2.512 9.940 1.00 0.00 C ATOM 1033 CZ TYR A 67 0.765 2.474 9.266 1.00 0.00 C ATOM 1034 OH TYR A 67 -0.339 3.095 9.804 1.00 0.00 O ATOM 0 H TYR A 67 5.726 -0.578 5.993 1.00 0.00 H new ATOM 0 HA TYR A 67 3.890 1.545 5.715 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.963 -0.490 7.350 1.00 0.00 H new ATOM 0 HB3 TYR A 67 5.005 0.515 8.337 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.694 0.683 6.576 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.016 1.922 9.927 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -0.281 1.790 7.534 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.044 3.026 10.887 1.00 0.00 H new ATOM 0 HH TYR A 67 -0.350 4.036 9.531 1.00 0.00 H new ATOM 1044 N ALA A 68 6.841 2.305 6.904 1.00 0.00 N ATOM 1045 CA ALA A 68 7.714 3.408 7.296 1.00 0.00 C ATOM 1046 C ALA A 68 7.890 4.424 6.171 1.00 0.00 C ATOM 1047 O ALA A 68 7.710 5.625 6.378 1.00 0.00 O ATOM 1048 CB ALA A 68 9.069 2.869 7.727 1.00 0.00 C ATOM 0 H ALA A 68 7.319 1.412 6.783 1.00 0.00 H new ATOM 0 HA ALA A 68 7.241 3.922 8.132 1.00 0.00 H new ATOM 0 HB1 ALA A 68 9.714 3.698 8.018 1.00 0.00 H new ATOM 0 HB2 ALA A 68 8.940 2.195 8.574 1.00 0.00 H new ATOM 0 HB3 ALA A 68 9.525 2.327 6.899 1.00 0.00 H new ATOM 1054 N LEU A 69 8.242 3.948 4.980 1.00 0.00 N ATOM 1055 CA LEU A 69 8.435 4.836 3.839 1.00 0.00 C ATOM 1056 C LEU A 69 7.109 5.452 3.416 1.00 0.00 C ATOM 1057 O LEU A 69 7.053 6.611 3.005 1.00 0.00 O ATOM 1058 CB LEU A 69 9.072 4.091 2.663 1.00 0.00 C ATOM 1059 CG LEU A 69 8.497 2.700 2.385 1.00 0.00 C ATOM 1060 CD1 LEU A 69 7.809 2.663 1.029 1.00 0.00 C ATOM 1061 CD2 LEU A 69 9.594 1.648 2.456 1.00 0.00 C ATOM 0 H LEU A 69 8.398 2.960 4.781 1.00 0.00 H new ATOM 0 HA LEU A 69 9.113 5.633 4.144 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.960 4.699 1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 69 10.141 3.994 2.851 1.00 0.00 H new ATOM 0 HG LEU A 69 7.754 2.477 3.150 1.00 0.00 H new ATOM 0 HD11 LEU A 69 7.408 1.665 0.852 1.00 0.00 H new ATOM 0 HD12 LEU A 69 6.996 3.389 1.013 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.529 2.908 0.249 1.00 0.00 H new ATOM 0 HD21 LEU A 69 9.169 0.665 2.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.360 1.870 1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 69 10.041 1.655 3.450 1.00 0.00 H new ATOM 1073 N PHE A 70 6.040 4.673 3.532 1.00 0.00 N ATOM 1074 CA PHE A 70 4.710 5.147 3.177 1.00 0.00 C ATOM 1075 C PHE A 70 4.238 6.193 4.181 1.00 0.00 C ATOM 1076 O PHE A 70 3.457 7.083 3.849 1.00 0.00 O ATOM 1077 CB PHE A 70 3.721 3.981 3.127 1.00 0.00 C ATOM 1078 CG PHE A 70 3.474 3.461 1.740 1.00 0.00 C ATOM 1079 CD1 PHE A 70 2.773 4.219 0.817 1.00 0.00 C ATOM 1080 CD2 PHE A 70 3.947 2.214 1.358 1.00 0.00 C ATOM 1081 CE1 PHE A 70 2.547 3.745 -0.460 1.00 0.00 C ATOM 1082 CE2 PHE A 70 3.723 1.735 0.081 1.00 0.00 C ATOM 1083 CZ PHE A 70 3.023 2.503 -0.829 1.00 0.00 C ATOM 0 H PHE A 70 6.069 3.711 3.869 1.00 0.00 H new ATOM 0 HA PHE A 70 4.758 5.604 2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.098 3.169 3.749 1.00 0.00 H new ATOM 0 HB3 PHE A 70 2.773 4.301 3.560 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.399 5.192 1.099 1.00 0.00 H new ATOM 0 HD2 PHE A 70 4.496 1.611 2.066 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.998 4.346 -1.170 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.095 0.762 -0.205 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.848 2.132 -1.828 1.00 0.00 H new ATOM 1093 N LYS A 71 4.724 6.077 5.415 1.00 0.00 N ATOM 1094 CA LYS A 71 4.364 7.010 6.475 1.00 0.00 C ATOM 1095 C LYS A 71 5.257 8.246 6.433 1.00 0.00 C ATOM 1096 O LYS A 71 4.810 9.359 6.703 1.00 0.00 O ATOM 1097 CB LYS A 71 4.485 6.333 7.842 1.00 0.00 C ATOM 1098 CG LYS A 71 3.229 5.594 8.272 1.00 0.00 C ATOM 1099 CD LYS A 71 3.087 5.572 9.786 1.00 0.00 C ATOM 1100 CE LYS A 71 4.301 4.948 10.455 1.00 0.00 C ATOM 1101 NZ LYS A 71 4.304 5.175 11.926 1.00 0.00 N ATOM 0 H LYS A 71 5.370 5.343 5.704 1.00 0.00 H new ATOM 0 HA LYS A 71 3.331 7.319 6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.318 5.631 7.817 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.726 7.087 8.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.355 6.072 7.830 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.259 4.572 7.893 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.951 6.589 10.154 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.193 5.012 10.060 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.316 3.877 10.253 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.209 5.367 10.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 5.148 4.734 12.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 4.316 6.197 12.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.450 4.753 12.344 1.00 0.00 H new ATOM 1115 N GLY A 72 6.527 8.036 6.097 1.00 0.00 N ATOM 1116 CA GLY A 72 7.471 9.137 6.030 1.00 0.00 C ATOM 1117 C GLY A 72 7.372 9.924 4.737 1.00 0.00 C ATOM 1118 O GLY A 72 7.819 11.068 4.670 1.00 0.00 O ATOM 0 H GLY A 72 6.919 7.122 5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.299 9.808 6.872 1.00 0.00 H new ATOM 0 HA3 GLY A 72 8.484 8.747 6.135 1.00 0.00 H new ATOM 1122 N ALA A 73 6.788 9.314 3.708 1.00 0.00 N ATOM 1123 CA ALA A 73 6.634 9.967 2.409 1.00 0.00 C ATOM 1124 C ALA A 73 6.129 11.404 2.559 1.00 0.00 C ATOM 1125 O ALA A 73 5.115 11.649 3.208 1.00 0.00 O ATOM 1126 CB ALA A 73 5.693 9.164 1.529 1.00 0.00 C ATOM 0 H ALA A 73 6.413 8.366 3.748 1.00 0.00 H new ATOM 0 HA ALA A 73 7.615 10.010 1.936 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.586 9.659 0.564 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.099 8.164 1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.718 9.092 2.010 1.00 0.00 H new ATOM 1132 N ASN A 74 6.846 12.345 1.955 1.00 0.00 N ATOM 1133 CA ASN A 74 6.468 13.753 2.021 1.00 0.00 C ATOM 1134 C ASN A 74 7.013 14.518 0.821 1.00 0.00 C ATOM 1135 O ASN A 74 8.202 14.826 0.754 1.00 0.00 O ATOM 1136 CB ASN A 74 6.975 14.386 3.318 1.00 0.00 C ATOM 1137 CG ASN A 74 8.485 14.327 3.439 1.00 0.00 C ATOM 1138 OD1 ASN A 74 9.175 15.325 3.233 1.00 0.00 O ATOM 1139 ND2 ASN A 74 9.003 13.154 3.776 1.00 0.00 N ATOM 0 H ASN A 74 7.691 12.159 1.415 1.00 0.00 H new ATOM 0 HA ASN A 74 5.380 13.809 2.004 1.00 0.00 H new ATOM 0 HB2 ASN A 74 6.650 15.425 3.363 1.00 0.00 H new ATOM 0 HB3 ASN A 74 6.525 13.874 4.169 1.00 0.00 H new ATOM 0 HD21 ASN A 74 10.013 13.052 3.874 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.391 12.354 3.937 1.00 0.00 H new ATOM 1146 N GLY A 75 6.133 14.816 -0.129 1.00 0.00 N ATOM 1147 CA GLY A 75 6.541 15.539 -1.320 1.00 0.00 C ATOM 1148 C GLY A 75 6.578 14.646 -2.543 1.00 0.00 C ATOM 1149 O GLY A 75 7.624 14.097 -2.887 1.00 0.00 O ATOM 0 H GLY A 75 5.144 14.570 -0.096 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.852 16.366 -1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.527 15.974 -1.159 1.00 0.00 H new ATOM 1153 N LYS A 76 5.429 14.497 -3.197 1.00 0.00 N ATOM 1154 CA LYS A 76 5.326 13.660 -4.383 1.00 0.00 C ATOM 1155 C LYS A 76 5.682 12.214 -4.048 1.00 0.00 C ATOM 1156 O LYS A 76 6.808 11.917 -3.646 1.00 0.00 O ATOM 1157 CB LYS A 76 6.238 14.196 -5.483 1.00 0.00 C ATOM 1158 CG LYS A 76 5.608 14.160 -6.865 1.00 0.00 C ATOM 1159 CD LYS A 76 5.102 15.530 -7.287 1.00 0.00 C ATOM 1160 CE LYS A 76 3.587 15.615 -7.199 1.00 0.00 C ATOM 1161 NZ LYS A 76 3.101 17.018 -7.318 1.00 0.00 N ATOM 0 H LYS A 76 4.556 14.947 -2.923 1.00 0.00 H new ATOM 0 HA LYS A 76 4.297 13.684 -4.741 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.515 15.223 -5.246 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.159 13.613 -5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.340 13.803 -7.590 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.782 13.449 -6.870 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.548 16.295 -6.652 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.421 15.738 -8.308 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.143 15.009 -7.989 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.254 15.195 -6.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.063 17.033 -7.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.504 17.591 -6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.396 17.411 -8.235 1.00 0.00 H new ATOM 1175 N VAL A 77 4.712 11.320 -4.201 1.00 0.00 N ATOM 1176 CA VAL A 77 4.914 9.906 -3.898 1.00 0.00 C ATOM 1177 C VAL A 77 4.425 9.013 -5.032 1.00 0.00 C ATOM 1178 O VAL A 77 3.224 8.853 -5.229 1.00 0.00 O ATOM 1179 CB VAL A 77 4.175 9.500 -2.610 1.00 0.00 C ATOM 1180 CG1 VAL A 77 5.105 9.576 -1.413 1.00 0.00 C ATOM 1181 CG2 VAL A 77 2.946 10.361 -2.395 1.00 0.00 C ATOM 0 H VAL A 77 3.775 11.549 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 77 5.988 9.770 -3.767 1.00 0.00 H new ATOM 0 HB VAL A 77 3.845 8.467 -2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 77 4.564 9.285 -0.513 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.948 8.901 -1.564 1.00 0.00 H new ATOM 0 HG13 VAL A 77 5.472 10.596 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 77 2.442 10.054 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.244 11.406 -2.312 1.00 0.00 H new ATOM 0 HG23 VAL A 77 2.267 10.243 -3.239 1.00 0.00 H new ATOM 1191 N SER A 78 5.364 8.420 -5.759 1.00 0.00 N ATOM 1192 CA SER A 78 5.025 7.527 -6.860 1.00 0.00 C ATOM 1193 C SER A 78 5.126 6.073 -6.413 1.00 0.00 C ATOM 1194 O SER A 78 6.211 5.590 -6.087 1.00 0.00 O ATOM 1195 CB SER A 78 5.948 7.778 -8.052 1.00 0.00 C ATOM 1196 OG SER A 78 5.504 7.075 -9.200 1.00 0.00 O ATOM 0 H SER A 78 6.365 8.541 -5.606 1.00 0.00 H new ATOM 0 HA SER A 78 3.998 7.728 -7.166 1.00 0.00 H new ATOM 0 HB2 SER A 78 5.986 8.846 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 78 6.962 7.468 -7.802 1.00 0.00 H new ATOM 0 HG SER A 78 6.111 7.254 -9.948 1.00 0.00 H new ATOM 1202 N MET A 79 3.992 5.381 -6.383 1.00 0.00 N ATOM 1203 CA MET A 79 3.962 3.986 -5.955 1.00 0.00 C ATOM 1204 C MET A 79 3.443 3.073 -7.062 1.00 0.00 C ATOM 1205 O MET A 79 2.346 3.277 -7.583 1.00 0.00 O ATOM 1206 CB MET A 79 3.087 3.825 -4.708 1.00 0.00 C ATOM 1207 CG MET A 79 2.958 5.090 -3.871 1.00 0.00 C ATOM 1208 SD MET A 79 1.425 5.982 -4.190 1.00 0.00 S ATOM 1209 CE MET A 79 0.588 5.782 -2.620 1.00 0.00 C ATOM 0 H MET A 79 3.084 5.761 -6.649 1.00 0.00 H new ATOM 0 HA MET A 79 4.986 3.696 -5.720 1.00 0.00 H new ATOM 0 HB2 MET A 79 2.092 3.502 -5.015 1.00 0.00 H new ATOM 0 HB3 MET A 79 3.502 3.032 -4.086 1.00 0.00 H new ATOM 0 HG2 MET A 79 3.008 4.828 -2.814 1.00 0.00 H new ATOM 0 HG3 MET A 79 3.804 5.745 -4.077 1.00 0.00 H new ATOM 0 HE1 MET A 79 -0.380 6.281 -2.658 1.00 0.00 H new ATOM 0 HE2 MET A 79 0.442 4.721 -2.418 1.00 0.00 H new ATOM 0 HE3 MET A 79 1.192 6.222 -1.827 1.00 0.00 H new ATOM 1219 N GLU A 80 4.227 2.052 -7.405 1.00 0.00 N ATOM 1220 CA GLU A 80 3.822 1.102 -8.436 1.00 0.00 C ATOM 1221 C GLU A 80 2.983 -0.012 -7.821 1.00 0.00 C ATOM 1222 O GLU A 80 3.508 -0.909 -7.162 1.00 0.00 O ATOM 1223 CB GLU A 80 5.041 0.512 -9.151 1.00 0.00 C ATOM 1224 CG GLU A 80 5.018 0.717 -10.657 1.00 0.00 C ATOM 1225 CD GLU A 80 6.385 1.057 -11.220 1.00 0.00 C ATOM 1226 OE1 GLU A 80 7.395 0.607 -10.640 1.00 0.00 O ATOM 1227 OE2 GLU A 80 6.443 1.776 -12.240 1.00 0.00 O ATOM 0 H GLU A 80 5.138 1.863 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 80 3.222 1.635 -9.173 1.00 0.00 H new ATOM 0 HB2 GLU A 80 5.945 0.965 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 80 5.096 -0.556 -8.938 1.00 0.00 H new ATOM 0 HG2 GLU A 80 4.646 -0.188 -11.138 1.00 0.00 H new ATOM 0 HG3 GLU A 80 4.319 1.518 -10.900 1.00 0.00 H new ATOM 1234 N VAL A 81 1.676 0.061 -8.035 1.00 0.00 N ATOM 1235 CA VAL A 81 0.755 -0.933 -7.495 1.00 0.00 C ATOM 1236 C VAL A 81 0.453 -2.024 -8.511 1.00 0.00 C ATOM 1237 O VAL A 81 0.348 -1.761 -9.708 1.00 0.00 O ATOM 1238 CB VAL A 81 -0.568 -0.296 -7.029 1.00 0.00 C ATOM 1239 CG1 VAL A 81 -0.441 0.191 -5.597 1.00 0.00 C ATOM 1240 CG2 VAL A 81 -0.976 0.836 -7.953 1.00 0.00 C ATOM 0 H VAL A 81 1.228 0.799 -8.579 1.00 0.00 H new ATOM 0 HA VAL A 81 1.254 -1.376 -6.633 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.350 -1.055 -7.066 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -1.383 0.639 -5.280 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -0.202 -0.650 -4.946 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.354 0.935 -5.535 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.913 1.271 -7.604 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.200 1.601 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.109 0.451 -8.964 1.00 0.00 H new ATOM 1250 N THR A 82 0.320 -3.251 -8.021 1.00 0.00 N ATOM 1251 CA THR A 82 0.036 -4.395 -8.877 1.00 0.00 C ATOM 1252 C THR A 82 -1.396 -4.881 -8.675 1.00 0.00 C ATOM 1253 O THR A 82 -1.765 -5.318 -7.584 1.00 0.00 O ATOM 1254 CB THR A 82 1.019 -5.527 -8.574 1.00 0.00 C ATOM 1255 OG1 THR A 82 2.359 -5.091 -8.738 1.00 0.00 O ATOM 1256 CG2 THR A 82 0.821 -6.747 -9.447 1.00 0.00 C ATOM 0 H THR A 82 0.405 -3.479 -7.030 1.00 0.00 H new ATOM 0 HA THR A 82 0.150 -4.086 -9.916 1.00 0.00 H new ATOM 0 HB THR A 82 0.820 -5.807 -7.540 1.00 0.00 H new ATOM 0 HG1 THR A 82 2.366 -4.209 -9.164 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.552 -7.510 -9.178 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.185 -7.140 -9.300 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.953 -6.471 -10.493 1.00 0.00 H new ATOM 1264 N ARG A 83 -2.196 -4.796 -9.730 1.00 0.00 N ATOM 1265 CA ARG A 83 -3.590 -5.221 -9.674 1.00 0.00 C ATOM 1266 C ARG A 83 -3.776 -6.582 -10.341 1.00 0.00 C ATOM 1267 O ARG A 83 -4.040 -6.663 -11.541 1.00 0.00 O ATOM 1268 CB ARG A 83 -4.484 -4.183 -10.353 1.00 0.00 C ATOM 1269 CG ARG A 83 -5.962 -4.346 -10.029 1.00 0.00 C ATOM 1270 CD ARG A 83 -6.763 -3.135 -10.480 1.00 0.00 C ATOM 1271 NE ARG A 83 -8.073 -3.512 -11.010 1.00 0.00 N ATOM 1272 CZ ARG A 83 -8.807 -2.728 -11.798 1.00 0.00 C ATOM 1273 NH1 ARG A 83 -8.368 -1.524 -12.144 1.00 0.00 N ATOM 1274 NH2 ARG A 83 -9.984 -3.149 -12.239 1.00 0.00 N ATOM 0 H ARG A 83 -1.903 -4.435 -10.638 1.00 0.00 H new ATOM 0 HA ARG A 83 -3.874 -5.311 -8.626 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.162 -3.186 -10.052 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.348 -4.249 -11.432 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.347 -5.242 -10.517 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.088 -4.489 -8.956 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.894 -2.453 -9.640 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -6.204 -2.595 -11.244 1.00 0.00 H new ATOM 0 HE ARG A 83 -8.446 -4.428 -10.762 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -7.464 -1.194 -11.806 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.935 -0.929 -12.748 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -10.327 -4.073 -11.975 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -10.547 -2.549 -12.842 1.00 0.00 H new ATOM 1288 N PRO A 84 -3.641 -7.674 -9.569 1.00 0.00 N ATOM 1289 CA PRO A 84 -3.798 -9.034 -10.093 1.00 0.00 C ATOM 1290 C PRO A 84 -5.232 -9.323 -10.527 1.00 0.00 C ATOM 1291 O PRO A 84 -6.102 -8.455 -10.442 1.00 0.00 O ATOM 1292 CB PRO A 84 -3.407 -9.925 -8.913 1.00 0.00 C ATOM 1293 CG PRO A 84 -3.622 -9.081 -7.705 1.00 0.00 C ATOM 1294 CD PRO A 84 -3.327 -7.670 -8.128 1.00 0.00 C ATOM 0 HA PRO A 84 -3.190 -9.198 -10.983 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -4.019 -10.826 -8.879 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -2.369 -10.248 -8.989 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -4.645 -9.173 -7.342 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -2.966 -9.390 -6.891 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -3.940 -6.951 -7.585 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -2.286 -7.404 -7.944 1.00 0.00 H new ATOM 1302 N LYS A 85 -5.470 -10.544 -10.994 1.00 0.00 N ATOM 1303 CA LYS A 85 -6.800 -10.944 -11.441 1.00 0.00 C ATOM 1304 C LYS A 85 -7.722 -11.201 -10.252 1.00 0.00 C ATOM 1305 O LYS A 85 -7.259 -11.474 -9.144 1.00 0.00 O ATOM 1306 CB LYS A 85 -6.710 -12.198 -12.312 1.00 0.00 C ATOM 1307 CG LYS A 85 -6.213 -11.923 -13.723 1.00 0.00 C ATOM 1308 CD LYS A 85 -5.449 -13.112 -14.284 1.00 0.00 C ATOM 1309 CE LYS A 85 -3.996 -13.102 -13.837 1.00 0.00 C ATOM 1310 NZ LYS A 85 -3.099 -12.530 -14.877 1.00 0.00 N ATOM 0 H LYS A 85 -4.761 -11.273 -11.073 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.219 -10.128 -12.030 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.043 -12.916 -11.834 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.694 -12.664 -12.366 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.060 -11.694 -14.370 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.569 -11.044 -13.718 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.924 -14.037 -13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.496 -13.095 -15.373 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.903 -12.522 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.681 -14.119 -13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.108 -12.694 -14.609 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.291 -12.988 -15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.271 -11.508 -14.959 1.00 0.00 H new ATOM 1324 N PRO A 86 -9.046 -11.118 -10.467 1.00 0.00 N ATOM 1325 CA PRO A 86 -10.035 -11.345 -9.409 1.00 0.00 C ATOM 1326 C PRO A 86 -10.108 -12.808 -8.989 1.00 0.00 C ATOM 1327 O PRO A 86 -9.581 -13.688 -9.671 1.00 0.00 O ATOM 1328 CB PRO A 86 -11.352 -10.906 -10.051 1.00 0.00 C ATOM 1329 CG PRO A 86 -11.138 -11.090 -11.514 1.00 0.00 C ATOM 1330 CD PRO A 86 -9.683 -10.799 -11.759 1.00 0.00 C ATOM 0 HA PRO A 86 -9.788 -10.800 -8.498 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -12.187 -11.509 -9.694 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.583 -9.868 -9.812 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -11.390 -12.105 -11.821 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.773 -10.416 -12.089 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -9.282 -11.411 -12.566 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -9.523 -9.758 -12.039 1.00 0.00 H new ATOM 1338 N GLY A 87 -10.764 -13.064 -7.862 1.00 0.00 N ATOM 1339 CA GLY A 87 -10.895 -14.424 -7.372 1.00 0.00 C ATOM 1340 C GLY A 87 -11.689 -14.503 -6.082 1.00 0.00 C ATOM 1341 O GLY A 87 -11.969 -13.482 -5.455 1.00 0.00 O ATOM 0 H GLY A 87 -11.207 -12.354 -7.279 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -11.381 -15.035 -8.132 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -9.903 -14.846 -7.211 1.00 0.00 H new ATOM 1345 N SER A 88 -12.052 -15.719 -5.687 1.00 0.00 N ATOM 1346 CA SER A 88 -12.818 -15.929 -4.465 1.00 0.00 C ATOM 1347 C SER A 88 -12.141 -16.955 -3.565 1.00 0.00 C ATOM 1348 O SER A 88 -12.162 -18.154 -3.848 1.00 0.00 O ATOM 1349 CB SER A 88 -14.239 -16.388 -4.802 1.00 0.00 C ATOM 1350 OG SER A 88 -14.641 -15.910 -6.074 1.00 0.00 O ATOM 0 H SER A 88 -11.828 -16.574 -6.196 1.00 0.00 H new ATOM 0 HA SER A 88 -12.866 -14.981 -3.930 1.00 0.00 H new ATOM 0 HB2 SER A 88 -14.286 -17.477 -4.788 1.00 0.00 H new ATOM 0 HB3 SER A 88 -14.931 -16.029 -4.040 1.00 0.00 H new ATOM 0 HG SER A 88 -15.551 -16.218 -6.267 1.00 0.00 H new ATOM 1356 N GLY A 89 -11.538 -16.479 -2.480 1.00 0.00 N ATOM 1357 CA GLY A 89 -10.861 -17.369 -1.556 1.00 0.00 C ATOM 1358 C GLY A 89 -11.275 -17.131 -0.116 1.00 0.00 C ATOM 1359 O GLY A 89 -10.463 -16.712 0.707 1.00 0.00 O ATOM 0 H GLY A 89 -11.506 -15.492 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -11.077 -18.402 -1.827 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -9.783 -17.233 -1.649 1.00 0.00 H new ATOM 1363 N GLY A 90 -12.540 -17.404 0.185 1.00 0.00 N ATOM 1364 CA GLY A 90 -13.038 -17.211 1.535 1.00 0.00 C ATOM 1365 C GLY A 90 -14.249 -16.302 1.581 1.00 0.00 C ATOM 1366 O GLY A 90 -15.387 -16.768 1.516 1.00 0.00 O ATOM 0 H GLY A 90 -13.229 -17.755 -0.480 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -13.297 -18.178 1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -12.247 -16.788 2.154 1.00 0.00 H new ATOM 1370 N SER A 91 -14.005 -14.999 1.694 1.00 0.00 N ATOM 1371 CA SER A 91 -15.084 -14.020 1.749 1.00 0.00 C ATOM 1372 C SER A 91 -15.103 -13.160 0.489 1.00 0.00 C ATOM 1373 O SER A 91 -16.166 -12.758 0.017 1.00 0.00 O ATOM 1374 CB SER A 91 -14.933 -13.132 2.986 1.00 0.00 C ATOM 1375 OG SER A 91 -14.211 -13.798 4.007 1.00 0.00 O ATOM 0 H SER A 91 -13.069 -14.598 1.749 1.00 0.00 H new ATOM 0 HA SER A 91 -16.029 -14.560 1.812 1.00 0.00 H new ATOM 0 HB2 SER A 91 -14.419 -12.210 2.715 1.00 0.00 H new ATOM 0 HB3 SER A 91 -15.918 -12.850 3.358 1.00 0.00 H new ATOM 0 HG SER A 91 -14.127 -13.209 4.786 1.00 0.00 H new ATOM 1381 N GLY A 92 -13.920 -12.883 -0.047 1.00 0.00 N ATOM 1382 CA GLY A 92 -13.822 -12.072 -1.248 1.00 0.00 C ATOM 1383 C GLY A 92 -13.077 -10.772 -1.009 1.00 0.00 C ATOM 1384 O GLY A 92 -12.140 -10.444 -1.739 1.00 0.00 O ATOM 0 H GLY A 92 -13.027 -13.205 0.327 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.314 -12.641 -2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.824 -11.851 -1.617 1.00 0.00 H new ATOM 1388 N SER A 93 -13.492 -10.033 0.013 1.00 0.00 N ATOM 1389 CA SER A 93 -12.859 -8.763 0.345 1.00 0.00 C ATOM 1390 C SER A 93 -11.976 -8.902 1.582 1.00 0.00 C ATOM 1391 O SER A 93 -11.987 -9.936 2.251 1.00 0.00 O ATOM 1392 CB SER A 93 -13.918 -7.686 0.581 1.00 0.00 C ATOM 1393 OG SER A 93 -14.797 -7.584 -0.526 1.00 0.00 O ATOM 0 H SER A 93 -14.265 -10.292 0.626 1.00 0.00 H new ATOM 0 HA SER A 93 -12.233 -8.468 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.487 -7.922 1.480 1.00 0.00 H new ATOM 0 HB3 SER A 93 -13.432 -6.726 0.753 1.00 0.00 H new ATOM 0 HG SER A 93 -15.466 -6.890 -0.350 1.00 0.00 H new ATOM 1399 N LEU A 94 -11.213 -7.856 1.880 1.00 0.00 N ATOM 1400 CA LEU A 94 -10.323 -7.863 3.034 1.00 0.00 C ATOM 1401 C LEU A 94 -11.080 -7.496 4.308 1.00 0.00 C ATOM 1402 O LEU A 94 -10.867 -8.093 5.363 1.00 0.00 O ATOM 1403 CB LEU A 94 -9.160 -6.891 2.814 1.00 0.00 C ATOM 1404 CG LEU A 94 -7.767 -7.507 2.948 1.00 0.00 C ATOM 1405 CD1 LEU A 94 -7.568 -8.082 4.342 1.00 0.00 C ATOM 1406 CD2 LEU A 94 -7.558 -8.582 1.892 1.00 0.00 C ATOM 0 H LEU A 94 -11.193 -6.992 1.338 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.925 -8.871 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -9.254 -6.456 1.819 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -9.249 -6.074 3.529 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.027 -6.722 2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.571 -8.516 4.418 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.676 -7.289 5.082 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.315 -8.854 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -6.562 -9.010 2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.306 -9.365 2.017 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.657 -8.142 0.900 1.00 0.00 H new ATOM 1418 N VAL A 95 -11.963 -6.508 4.201 1.00 0.00 N ATOM 1419 CA VAL A 95 -12.753 -6.061 5.343 1.00 0.00 C ATOM 1420 C VAL A 95 -14.245 -6.281 5.098 1.00 0.00 C ATOM 1421 O VAL A 95 -14.793 -5.805 4.104 1.00 0.00 O ATOM 1422 CB VAL A 95 -12.500 -4.569 5.648 1.00 0.00 C ATOM 1423 CG1 VAL A 95 -12.956 -3.694 4.489 1.00 0.00 C ATOM 1424 CG2 VAL A 95 -13.191 -4.159 6.940 1.00 0.00 C ATOM 0 H VAL A 95 -12.149 -6.002 3.335 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.441 -6.655 6.202 1.00 0.00 H new ATOM 0 HB VAL A 95 -11.427 -4.426 5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -12.768 -2.647 4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.405 -3.966 3.589 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -14.023 -3.841 4.320 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.000 -3.104 7.136 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.265 -4.322 6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -12.804 -4.757 7.765 1.00 0.00 H new ATOM 1434 N PRO A 96 -14.926 -7.014 6.002 1.00 0.00 N ATOM 1435 CA PRO A 96 -16.359 -7.296 5.871 1.00 0.00 C ATOM 1436 C PRO A 96 -17.245 -6.108 6.248 1.00 0.00 C ATOM 1437 O PRO A 96 -18.456 -6.258 6.411 1.00 0.00 O ATOM 1438 CB PRO A 96 -16.571 -8.450 6.849 1.00 0.00 C ATOM 1439 CG PRO A 96 -15.537 -8.249 7.902 1.00 0.00 C ATOM 1440 CD PRO A 96 -14.349 -7.631 7.213 1.00 0.00 C ATOM 0 HA PRO A 96 -16.633 -7.522 4.840 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -17.575 -8.431 7.272 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -16.451 -9.414 6.355 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -15.909 -7.599 8.694 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -15.267 -9.197 8.368 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -13.861 -6.890 7.846 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -13.598 -8.380 6.961 1.00 0.00 H new ATOM 1448 N ARG A 97 -16.641 -4.927 6.381 1.00 0.00 N ATOM 1449 CA ARG A 97 -17.382 -3.719 6.730 1.00 0.00 C ATOM 1450 C ARG A 97 -17.906 -3.781 8.162 1.00 0.00 C ATOM 1451 O ARG A 97 -19.100 -3.972 8.390 1.00 0.00 O ATOM 1452 CB ARG A 97 -18.544 -3.501 5.758 1.00 0.00 C ATOM 1453 CG ARG A 97 -18.133 -3.555 4.295 1.00 0.00 C ATOM 1454 CD ARG A 97 -18.579 -2.312 3.539 1.00 0.00 C ATOM 1455 NE ARG A 97 -18.876 -2.601 2.138 1.00 0.00 N ATOM 1456 CZ ARG A 97 -19.609 -1.808 1.358 1.00 0.00 C ATOM 1457 NH1 ARG A 97 -20.123 -0.682 1.838 1.00 0.00 N ATOM 1458 NH2 ARG A 97 -19.829 -2.144 0.093 1.00 0.00 N ATOM 0 H ARG A 97 -15.640 -4.783 6.252 1.00 0.00 H new ATOM 0 HA ARG A 97 -16.693 -2.878 6.656 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -19.306 -4.258 5.941 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -19.001 -2.533 5.963 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -17.050 -3.655 4.225 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -18.565 -4.440 3.828 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -19.464 -1.894 4.019 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -17.798 -1.554 3.595 1.00 0.00 H new ATOM 0 HE ARG A 97 -18.501 -3.459 1.734 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -19.958 -0.419 2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -20.683 -0.079 1.235 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -19.437 -3.008 -0.281 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -20.390 -1.538 -0.505 1.00 0.00 H new ATOM 1472 N LEU A 98 -17.005 -3.606 9.124 1.00 0.00 N ATOM 1473 CA LEU A 98 -17.377 -3.629 10.533 1.00 0.00 C ATOM 1474 C LEU A 98 -17.670 -2.216 11.026 1.00 0.00 C ATOM 1475 O LEU A 98 -18.558 -2.003 11.852 1.00 0.00 O ATOM 1476 CB LEU A 98 -16.258 -4.253 11.372 1.00 0.00 C ATOM 1477 CG LEU A 98 -15.793 -5.636 10.915 1.00 0.00 C ATOM 1478 CD1 LEU A 98 -16.984 -6.547 10.655 1.00 0.00 C ATOM 1479 CD2 LEU A 98 -14.926 -5.521 9.670 1.00 0.00 C ATOM 0 H LEU A 98 -16.012 -3.447 8.953 1.00 0.00 H new ATOM 0 HA LEU A 98 -18.276 -4.235 10.641 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -15.401 -3.579 11.364 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -16.598 -4.325 12.405 1.00 0.00 H new ATOM 0 HG LEU A 98 -15.195 -6.077 11.713 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -16.630 -7.526 10.331 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -17.565 -6.656 11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -17.611 -6.112 9.877 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -14.604 -6.514 9.358 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -15.501 -5.058 8.868 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -14.052 -4.908 9.891 1.00 0.00 H new ATOM 1491 N LEU A 99 -16.913 -1.258 10.505 1.00 0.00 N ATOM 1492 CA LEU A 99 -17.078 0.143 10.874 1.00 0.00 C ATOM 1493 C LEU A 99 -16.612 1.046 9.736 1.00 0.00 C ATOM 1494 O LEU A 99 -16.460 0.595 8.601 1.00 0.00 O ATOM 1495 CB LEU A 99 -16.289 0.452 12.150 1.00 0.00 C ATOM 1496 CG LEU A 99 -16.964 1.441 13.106 1.00 0.00 C ATOM 1497 CD1 LEU A 99 -17.506 0.717 14.330 1.00 0.00 C ATOM 1498 CD2 LEU A 99 -15.987 2.531 13.522 1.00 0.00 C ATOM 0 H LEU A 99 -16.175 -1.427 9.822 1.00 0.00 H new ATOM 0 HA LEU A 99 -18.135 0.332 11.062 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -16.111 -0.482 12.684 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -15.314 0.850 11.869 1.00 0.00 H new ATOM 0 HG LEU A 99 -17.800 1.907 12.584 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -17.982 1.436 14.997 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -18.238 -0.028 14.018 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -16.687 0.223 14.853 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -16.483 3.225 14.201 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -15.132 2.080 14.025 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -15.645 3.070 12.638 1.00 0.00 H new ATOM 1510 N ARG A 100 -16.377 2.320 10.041 1.00 0.00 N ATOM 1511 CA ARG A 100 -15.920 3.268 9.031 1.00 0.00 C ATOM 1512 C ARG A 100 -14.656 2.756 8.346 1.00 0.00 C ATOM 1513 O ARG A 100 -14.701 2.295 7.205 1.00 0.00 O ATOM 1514 CB ARG A 100 -15.656 4.637 9.666 1.00 0.00 C ATOM 1515 CG ARG A 100 -16.883 5.249 10.323 1.00 0.00 C ATOM 1516 CD ARG A 100 -16.669 5.476 11.812 1.00 0.00 C ATOM 1517 NE ARG A 100 -17.202 6.763 12.251 1.00 0.00 N ATOM 1518 CZ ARG A 100 -17.049 7.248 13.482 1.00 0.00 C ATOM 1519 NH1 ARG A 100 -16.380 6.557 14.397 1.00 0.00 N ATOM 1520 NH2 ARG A 100 -17.566 8.427 13.798 1.00 0.00 N ATOM 0 H ARG A 100 -16.495 2.717 10.973 1.00 0.00 H new ATOM 0 HA ARG A 100 -16.704 3.373 8.281 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -14.867 4.537 10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.286 5.319 8.900 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.119 6.197 9.840 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -17.741 4.593 10.174 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -17.149 4.674 12.374 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -15.603 5.429 12.036 1.00 0.00 H new ATOM 0 HE ARG A 100 -17.722 7.323 11.575 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -15.980 5.649 14.159 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -16.266 6.934 15.338 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -18.081 8.962 13.099 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.449 8.799 14.741 1.00 0.00 H new ATOM 1534 N ARG A 101 -13.534 2.831 9.055 1.00 0.00 N ATOM 1535 CA ARG A 101 -12.257 2.367 8.524 1.00 0.00 C ATOM 1536 C ARG A 101 -11.436 1.690 9.615 1.00 0.00 C ATOM 1537 O ARG A 101 -11.286 0.468 9.626 1.00 0.00 O ATOM 1538 CB ARG A 101 -11.473 3.528 7.915 1.00 0.00 C ATOM 1539 CG ARG A 101 -12.254 4.297 6.865 1.00 0.00 C ATOM 1540 CD ARG A 101 -12.598 5.701 7.339 1.00 0.00 C ATOM 1541 NE ARG A 101 -13.708 6.277 6.584 1.00 0.00 N ATOM 1542 CZ ARG A 101 -14.411 7.332 6.989 1.00 0.00 C ATOM 1543 NH1 ARG A 101 -14.120 7.931 8.137 1.00 0.00 N ATOM 1544 NH2 ARG A 101 -15.408 7.788 6.244 1.00 0.00 N ATOM 0 H ARG A 101 -13.483 3.210 10.001 1.00 0.00 H new ATOM 0 HA ARG A 101 -12.460 1.637 7.740 1.00 0.00 H new ATOM 0 HB2 ARG A 101 -11.175 4.212 8.710 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -10.557 3.143 7.466 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -11.670 4.355 5.947 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -13.171 3.758 6.626 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -12.856 5.673 8.398 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -11.722 6.342 7.241 1.00 0.00 H new ATOM 0 HE ARG A 101 -13.959 5.845 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -13.354 7.583 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 101 -14.662 8.739 8.442 1.00 0.00 H new ATOM 0 HH21 ARG A 101 -15.636 7.330 5.361 1.00 0.00 H new ATOM 0 HH22 ARG A 101 -15.947 8.596 6.553 1.00 0.00 H new ATOM 1558 N ASN A 102 -10.905 2.492 10.532 1.00 0.00 N ATOM 1559 CA ASN A 102 -10.093 1.972 11.630 1.00 0.00 C ATOM 1560 C ASN A 102 -8.992 1.059 11.100 1.00 0.00 C ATOM 1561 O ASN A 102 -8.536 0.145 11.788 1.00 0.00 O ATOM 1562 CB ASN A 102 -10.971 1.211 12.627 1.00 0.00 C ATOM 1563 CG ASN A 102 -11.307 2.042 13.852 1.00 0.00 C ATOM 1564 OD1 ASN A 102 -11.297 1.540 14.976 1.00 0.00 O ATOM 1565 ND2 ASN A 102 -11.607 3.317 13.638 1.00 0.00 N ATOM 0 H ASN A 102 -11.022 3.505 10.538 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.628 2.816 12.141 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.894 0.905 12.135 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.458 0.301 12.938 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -11.842 3.924 14.423 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -11.602 3.690 12.688 1.00 0.00 H new ATOM 1572 N GLN A 103 -8.584 1.311 9.861 1.00 0.00 N ATOM 1573 CA GLN A 103 -7.552 0.519 9.209 1.00 0.00 C ATOM 1574 C GLN A 103 -6.164 1.085 9.463 1.00 0.00 C ATOM 1575 O GLN A 103 -6.017 2.179 10.004 1.00 0.00 O ATOM 1576 CB GLN A 103 -7.822 0.468 7.703 1.00 0.00 C ATOM 1577 CG GLN A 103 -9.102 -0.265 7.348 1.00 0.00 C ATOM 1578 CD GLN A 103 -8.933 -1.771 7.330 1.00 0.00 C ATOM 1579 OE1 GLN A 103 -9.710 -2.501 7.947 1.00 0.00 O ATOM 1580 NE2 GLN A 103 -7.915 -2.248 6.622 1.00 0.00 N ATOM 0 H GLN A 103 -8.958 2.065 9.285 1.00 0.00 H new ATOM 0 HA GLN A 103 -7.583 -0.487 9.629 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -7.875 1.485 7.316 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -6.983 -0.019 7.207 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -9.878 0.000 8.066 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -9.446 0.069 6.369 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -7.295 -1.608 6.126 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -7.754 -3.254 6.575 1.00 0.00 H new ATOM 1589 N TYR A 104 -5.142 0.339 9.051 1.00 0.00 N ATOM 1590 CA TYR A 104 -3.770 0.788 9.216 1.00 0.00 C ATOM 1591 C TYR A 104 -3.431 1.749 8.089 1.00 0.00 C ATOM 1592 O TYR A 104 -3.075 1.332 6.988 1.00 0.00 O ATOM 1593 CB TYR A 104 -2.806 -0.403 9.200 1.00 0.00 C ATOM 1594 CG TYR A 104 -1.537 -0.175 9.991 1.00 0.00 C ATOM 1595 CD1 TYR A 104 -1.568 0.459 11.227 1.00 0.00 C ATOM 1596 CD2 TYR A 104 -0.304 -0.602 9.506 1.00 0.00 C ATOM 1597 CE1 TYR A 104 -0.413 0.666 11.954 1.00 0.00 C ATOM 1598 CE2 TYR A 104 0.856 -0.401 10.231 1.00 0.00 C ATOM 1599 CZ TYR A 104 0.796 0.234 11.453 1.00 0.00 C ATOM 1600 OH TYR A 104 1.948 0.436 12.176 1.00 0.00 O ATOM 0 H TYR A 104 -5.241 -0.572 8.604 1.00 0.00 H new ATOM 0 HA TYR A 104 -3.668 1.292 10.177 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -3.319 -1.278 9.599 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -2.543 -0.631 8.167 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -2.513 0.796 11.626 1.00 0.00 H new ATOM 0 HD2 TYR A 104 -0.253 -1.098 8.548 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -0.457 1.164 12.911 1.00 0.00 H new ATOM 0 HE2 TYR A 104 1.805 -0.740 9.842 1.00 0.00 H new ATOM 0 HH TYR A 104 2.446 1.188 11.794 1.00 0.00 H new ATOM 1610 N TRP A 105 -3.562 3.037 8.366 1.00 0.00 N ATOM 1611 CA TRP A 105 -3.292 4.058 7.367 1.00 0.00 C ATOM 1612 C TRP A 105 -1.917 4.683 7.578 1.00 0.00 C ATOM 1613 O TRP A 105 -1.524 4.979 8.705 1.00 0.00 O ATOM 1614 CB TRP A 105 -4.372 5.140 7.419 1.00 0.00 C ATOM 1615 CG TRP A 105 -5.778 4.602 7.438 1.00 0.00 C ATOM 1616 CD1 TRP A 105 -6.539 4.313 8.538 1.00 0.00 C ATOM 1617 CD2 TRP A 105 -6.592 4.285 6.303 1.00 0.00 C ATOM 1618 NE1 TRP A 105 -7.776 3.869 8.152 1.00 0.00 N ATOM 1619 CE2 TRP A 105 -7.831 3.837 6.790 1.00 0.00 C ATOM 1620 CE3 TRP A 105 -6.404 4.341 4.924 1.00 0.00 C ATOM 1621 CZ2 TRP A 105 -8.862 3.452 5.943 1.00 0.00 C ATOM 1622 CZ3 TRP A 105 -7.441 3.946 4.100 1.00 0.00 C ATOM 1623 CH2 TRP A 105 -8.650 3.512 4.619 1.00 0.00 C ATOM 0 H TRP A 105 -3.853 3.399 9.274 1.00 0.00 H new ATOM 0 HA TRP A 105 -3.303 3.584 6.385 1.00 0.00 H new ATOM 0 HB2 TRP A 105 -4.216 5.752 8.307 1.00 0.00 H new ATOM 0 HB3 TRP A 105 -4.257 5.796 6.556 1.00 0.00 H new ATOM 0 HD1 TRP A 105 -6.212 4.420 9.562 1.00 0.00 H new ATOM 0 HE1 TRP A 105 -8.534 3.605 8.782 1.00 0.00 H new ATOM 0 HE3 TRP A 105 -5.469 4.685 4.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 105 -9.808 3.114 6.339 1.00 0.00 H new ATOM 0 HZ3 TRP A 105 -7.306 3.976 3.029 1.00 0.00 H new ATOM 0 HH2 TRP A 105 -9.439 3.216 3.944 1.00 0.00 H new ATOM 1634 N VAL A 106 -1.190 4.878 6.483 1.00 0.00 N ATOM 1635 CA VAL A 106 0.141 5.467 6.543 1.00 0.00 C ATOM 1636 C VAL A 106 0.072 6.990 6.497 1.00 0.00 C ATOM 1637 O VAL A 106 -0.823 7.520 5.806 1.00 0.00 O ATOM 1638 CB VAL A 106 1.025 4.970 5.384 1.00 0.00 C ATOM 1639 CG1 VAL A 106 1.306 3.482 5.528 1.00 0.00 C ATOM 1640 CG2 VAL A 106 0.369 5.270 4.046 1.00 0.00 C ATOM 1641 OXT VAL A 106 0.912 7.640 7.153 1.00 0.00 O ATOM 0 H VAL A 106 -1.501 4.636 5.542 1.00 0.00 H new ATOM 0 HA VAL A 106 0.583 5.155 7.489 1.00 0.00 H new ATOM 0 HB VAL A 106 1.976 5.501 5.422 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.932 3.148 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.822 3.299 6.470 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.365 2.931 5.517 1.00 0.00 H new ATOM 0 HG21 VAL A 106 1.008 4.912 3.239 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -0.597 4.768 3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 106 0.225 6.346 3.944 1.00 0.00 H new TER 1651 VAL A 106