USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 934 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 98 ASN :FLIP amide:sc= 0.651 F(o=-2.5,f=-0.33) USER MOD Set 1.2: A 102 SER OG : rot 20:sc= -0.98! USER MOD Set 2.1: A 25 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 36 HIS :FLIP no HD1:sc= -11.6! C(o=-13!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -73:sc= 1 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= -0.661 K(o=-0.66,f=-1.7) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 155:sc= -0.235 (180deg=-0.496) USER MOD Single : A 24 LYS NZ :NH3+ -162:sc= -0.0186 (180deg=-0.251) USER MOD Single : A 27 THR OG1 : rot -120:sc= -2.19! USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -0.613 X(o=-0.61,f=-1.1) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0626) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.24) USER MOD Single : A 45 CYS SG : rot 50:sc= 0.0699 USER MOD Single : A 50 HIS :FLIP no HE2:sc= -10.3! C(o=-12!,f=-10!) USER MOD Single : A 51 ASN :FLIP amide:sc= -0.636 F(o=-2!,f=-0.64) USER MOD Single : A 52 HIS : no HD1:sc= -0.123 X(o=-0.12,f=0.014) USER MOD Single : A 54 ASN : amide:sc= -0.27 K(o=-0.27,f=-2.6) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot -81:sc= -0.675! USER MOD Single : A 63 THR OG1 : rot 150:sc= -2.61 USER MOD Single : A 74 HIS : no HD1:sc= -15.3! C(o=-15!,f=-17!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc= -2.53! C(o=-2.5!,f=-3.6!) USER MOD Single : A 86 LYS NZ :NH3+ 140:sc= 0.754 (180deg=0.455) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0.0946 USER MOD Single : A 94 ASN : amide:sc= -0.602 X(o=-0.6,f=-0.42) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 HIS :FLIP no HE2:sc= -22! C(o=-24!,f=-22!) USER MOD Single : A 101 ASN : amide:sc= -0.014 K(o=-0.014,f=-1.1) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -41:sc= 0.00722 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.543 -36.230 29.900 1.00 0.00 N ATOM 2 CA GLY A 1 14.998 -35.636 31.145 1.00 0.00 C ATOM 3 C GLY A 1 16.148 -34.657 30.898 1.00 0.00 C ATOM 4 O GLY A 1 17.179 -35.032 30.342 1.00 0.00 O ATOM 0 H1 GLY A 1 13.763 -36.890 30.095 1.00 0.00 H new ATOM 0 H2 GLY A 1 14.211 -35.481 29.259 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.329 -36.745 29.454 1.00 0.00 H new ATOM 0 HA2 GLY A 1 14.170 -35.116 31.628 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.324 -36.420 31.828 1.00 0.00 H new ATOM 8 N ILE A 2 15.931 -33.420 31.322 1.00 0.00 N ATOM 9 CA ILE A 2 16.936 -32.384 31.153 1.00 0.00 C ATOM 10 C ILE A 2 16.720 -31.294 32.205 1.00 0.00 C ATOM 11 O ILE A 2 15.711 -31.296 32.908 1.00 0.00 O ATOM 12 CB ILE A 2 16.930 -31.862 29.715 1.00 0.00 C ATOM 13 CG1 ILE A 2 15.640 -31.095 29.416 1.00 0.00 C ATOM 14 CG2 ILE A 2 17.167 -32.997 28.718 1.00 0.00 C ATOM 15 CD1 ILE A 2 15.786 -29.615 29.773 1.00 0.00 C ATOM 0 H ILE A 2 15.074 -33.112 31.782 1.00 0.00 H new ATOM 0 HA ILE A 2 17.934 -32.790 31.315 1.00 0.00 H new ATOM 0 HB ILE A 2 17.756 -31.159 29.603 1.00 0.00 H new ATOM 0 HG12 ILE A 2 15.390 -31.195 28.360 1.00 0.00 H new ATOM 0 HG13 ILE A 2 14.815 -31.529 29.981 1.00 0.00 H new ATOM 0 HG21 ILE A 2 17.158 -32.598 27.704 1.00 0.00 H new ATOM 0 HG22 ILE A 2 18.133 -33.460 28.917 1.00 0.00 H new ATOM 0 HG23 ILE A 2 16.379 -33.743 28.822 1.00 0.00 H new ATOM 0 HD11 ILE A 2 14.855 -29.094 29.551 1.00 0.00 H new ATOM 0 HD12 ILE A 2 16.012 -29.517 30.835 1.00 0.00 H new ATOM 0 HD13 ILE A 2 16.595 -29.178 29.188 1.00 0.00 H new ATOM 27 N PRO A 3 17.710 -30.365 32.281 1.00 0.00 N ATOM 28 CA PRO A 3 17.638 -29.272 33.235 1.00 0.00 C ATOM 29 C PRO A 3 16.632 -28.212 32.780 1.00 0.00 C ATOM 30 O PRO A 3 15.688 -28.519 32.054 1.00 0.00 O ATOM 31 CB PRO A 3 19.059 -28.739 33.331 1.00 0.00 C ATOM 32 CG PRO A 3 19.777 -29.244 32.090 1.00 0.00 C ATOM 33 CD PRO A 3 18.920 -30.331 31.465 1.00 0.00 C ATOM 0 HA PRO A 3 17.279 -29.591 34.214 1.00 0.00 H new ATOM 0 HB2 PRO A 3 19.066 -27.650 33.370 1.00 0.00 H new ATOM 0 HB3 PRO A 3 19.549 -29.094 34.238 1.00 0.00 H new ATOM 0 HG2 PRO A 3 19.936 -28.430 31.383 1.00 0.00 H new ATOM 0 HG3 PRO A 3 20.760 -29.636 32.351 1.00 0.00 H new ATOM 0 HD2 PRO A 3 18.689 -30.104 30.424 1.00 0.00 H new ATOM 0 HD3 PRO A 3 19.432 -31.293 31.475 1.00 0.00 H new ATOM 41 N ASP A 4 16.869 -26.987 33.226 1.00 0.00 N ATOM 42 CA ASP A 4 15.995 -25.881 32.874 1.00 0.00 C ATOM 43 C ASP A 4 16.276 -25.454 31.432 1.00 0.00 C ATOM 44 O ASP A 4 17.419 -25.501 30.978 1.00 0.00 O ATOM 45 CB ASP A 4 16.241 -24.674 33.781 1.00 0.00 C ATOM 46 CG ASP A 4 15.059 -23.713 33.915 1.00 0.00 C ATOM 47 OD1 ASP A 4 13.940 -24.136 33.551 1.00 0.00 O ATOM 48 OD2 ASP A 4 15.300 -22.577 34.377 1.00 0.00 O ATOM 0 H ASP A 4 17.653 -26.736 33.828 1.00 0.00 H new ATOM 0 HA ASP A 4 14.964 -26.215 32.991 1.00 0.00 H new ATOM 0 HB2 ASP A 4 16.511 -25.034 34.774 1.00 0.00 H new ATOM 0 HB3 ASP A 4 17.098 -24.120 33.398 1.00 0.00 H new ATOM 53 N LEU A 5 15.215 -25.046 30.752 1.00 0.00 N ATOM 54 CA LEU A 5 15.333 -24.611 29.371 1.00 0.00 C ATOM 55 C LEU A 5 15.954 -25.734 28.538 1.00 0.00 C ATOM 56 O LEU A 5 17.158 -25.975 28.614 1.00 0.00 O ATOM 57 CB LEU A 5 16.100 -23.289 29.289 1.00 0.00 C ATOM 58 CG LEU A 5 15.319 -22.035 29.689 1.00 0.00 C ATOM 59 CD1 LEU A 5 15.920 -21.390 30.939 1.00 0.00 C ATOM 60 CD2 LEU A 5 15.230 -21.050 28.521 1.00 0.00 C ATOM 0 H LEU A 5 14.269 -25.007 31.132 1.00 0.00 H new ATOM 0 HA LEU A 5 14.348 -24.409 28.950 1.00 0.00 H new ATOM 0 HB2 LEU A 5 16.981 -23.363 29.926 1.00 0.00 H new ATOM 0 HB3 LEU A 5 16.456 -23.161 28.267 1.00 0.00 H new ATOM 0 HG LEU A 5 14.300 -22.331 29.939 1.00 0.00 H new ATOM 0 HD11 LEU A 5 15.346 -20.501 31.201 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.888 -22.100 31.766 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.954 -21.109 30.742 1.00 0.00 H new ATOM 0 HD21 LEU A 5 14.670 -20.168 28.831 1.00 0.00 H new ATOM 0 HD22 LEU A 5 16.234 -20.754 28.217 1.00 0.00 H new ATOM 0 HD23 LEU A 5 14.722 -21.525 27.682 1.00 0.00 H new ATOM 72 N VAL A 6 15.105 -26.391 27.762 1.00 0.00 N ATOM 73 CA VAL A 6 15.555 -27.483 26.916 1.00 0.00 C ATOM 74 C VAL A 6 16.045 -26.919 25.580 1.00 0.00 C ATOM 75 O VAL A 6 15.256 -26.723 24.658 1.00 0.00 O ATOM 76 CB VAL A 6 14.437 -28.515 26.754 1.00 0.00 C ATOM 77 CG1 VAL A 6 14.975 -29.816 26.153 1.00 0.00 C ATOM 78 CG2 VAL A 6 13.736 -28.777 28.089 1.00 0.00 C ATOM 0 H VAL A 6 14.107 -26.188 27.701 1.00 0.00 H new ATOM 0 HA VAL A 6 16.395 -28.002 27.378 1.00 0.00 H new ATOM 0 HB VAL A 6 13.700 -28.106 26.063 1.00 0.00 H new ATOM 0 HG11 VAL A 6 14.160 -30.533 26.048 1.00 0.00 H new ATOM 0 HG12 VAL A 6 15.408 -29.613 25.173 1.00 0.00 H new ATOM 0 HG13 VAL A 6 15.741 -30.230 26.809 1.00 0.00 H new ATOM 0 HG21 VAL A 6 12.946 -29.514 27.946 1.00 0.00 H new ATOM 0 HG22 VAL A 6 14.459 -29.155 28.812 1.00 0.00 H new ATOM 0 HG23 VAL A 6 13.303 -27.848 28.461 1.00 0.00 H new ATOM 88 N LYS A 7 17.346 -26.674 25.520 1.00 0.00 N ATOM 89 CA LYS A 7 17.951 -26.137 24.313 1.00 0.00 C ATOM 90 C LYS A 7 17.166 -24.904 23.860 1.00 0.00 C ATOM 91 O LYS A 7 17.258 -24.495 22.703 1.00 0.00 O ATOM 92 CB LYS A 7 18.063 -27.222 23.241 1.00 0.00 C ATOM 93 CG LYS A 7 19.521 -27.437 22.829 1.00 0.00 C ATOM 94 CD LYS A 7 20.129 -28.631 23.567 1.00 0.00 C ATOM 95 CE LYS A 7 20.829 -29.580 22.592 1.00 0.00 C ATOM 96 NZ LYS A 7 21.974 -30.247 23.251 1.00 0.00 N ATOM 0 H LYS A 7 17.998 -26.837 26.288 1.00 0.00 H new ATOM 0 HA LYS A 7 18.972 -25.811 24.511 1.00 0.00 H new ATOM 0 HB2 LYS A 7 17.647 -28.156 23.619 1.00 0.00 H new ATOM 0 HB3 LYS A 7 17.473 -26.939 22.369 1.00 0.00 H new ATOM 0 HG2 LYS A 7 19.578 -27.603 21.753 1.00 0.00 H new ATOM 0 HG3 LYS A 7 20.100 -26.539 23.044 1.00 0.00 H new ATOM 0 HD2 LYS A 7 20.842 -28.278 24.312 1.00 0.00 H new ATOM 0 HD3 LYS A 7 19.347 -29.168 24.104 1.00 0.00 H new ATOM 0 HE2 LYS A 7 20.122 -30.328 22.233 1.00 0.00 H new ATOM 0 HE3 LYS A 7 21.176 -29.025 21.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 22.438 -30.888 22.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 22.655 -29.530 23.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 21.634 -30.793 24.068 1.00 0.00 H new ATOM 110 N GLY A 8 16.412 -24.345 24.795 1.00 0.00 N ATOM 111 CA GLY A 8 15.611 -23.167 24.506 1.00 0.00 C ATOM 112 C GLY A 8 14.179 -23.555 24.135 1.00 0.00 C ATOM 113 O GLY A 8 13.847 -23.665 22.956 1.00 0.00 O ATOM 0 H GLY A 8 16.339 -24.686 25.754 1.00 0.00 H new ATOM 0 HA2 GLY A 8 15.600 -22.509 25.375 1.00 0.00 H new ATOM 0 HA3 GLY A 8 16.063 -22.607 23.688 1.00 0.00 H new ATOM 117 N PRO A 9 13.346 -23.757 25.191 1.00 0.00 N ATOM 118 CA PRO A 9 11.956 -24.131 24.988 1.00 0.00 C ATOM 119 C PRO A 9 11.129 -22.931 24.520 1.00 0.00 C ATOM 120 O PRO A 9 10.906 -21.992 25.282 1.00 0.00 O ATOM 121 CB PRO A 9 11.497 -24.683 26.327 1.00 0.00 C ATOM 122 CG PRO A 9 12.496 -24.172 27.353 1.00 0.00 C ATOM 123 CD PRO A 9 13.703 -23.636 26.602 1.00 0.00 C ATOM 0 HA PRO A 9 11.831 -24.876 24.202 1.00 0.00 H new ATOM 0 HB2 PRO A 9 10.488 -24.346 26.563 1.00 0.00 H new ATOM 0 HB3 PRO A 9 11.474 -25.773 26.313 1.00 0.00 H new ATOM 0 HG2 PRO A 9 12.048 -23.389 27.964 1.00 0.00 H new ATOM 0 HG3 PRO A 9 12.792 -24.974 28.029 1.00 0.00 H new ATOM 0 HD2 PRO A 9 13.909 -22.600 26.871 1.00 0.00 H new ATOM 0 HD3 PRO A 9 14.600 -24.210 26.834 1.00 0.00 H new ATOM 131 N TRP A 10 10.697 -23.002 23.270 1.00 0.00 N ATOM 132 CA TRP A 10 9.900 -21.934 22.692 1.00 0.00 C ATOM 133 C TRP A 10 8.498 -22.484 22.422 1.00 0.00 C ATOM 134 O TRP A 10 8.287 -23.696 22.444 1.00 0.00 O ATOM 135 CB TRP A 10 10.570 -21.365 21.440 1.00 0.00 C ATOM 136 CG TRP A 10 11.930 -20.716 21.703 1.00 0.00 C ATOM 137 CD1 TRP A 10 12.873 -21.099 22.575 1.00 0.00 C ATOM 138 CD2 TRP A 10 12.465 -19.546 21.049 1.00 0.00 C ATOM 139 NE1 TRP A 10 13.971 -20.265 22.531 1.00 0.00 N ATOM 140 CE2 TRP A 10 13.716 -19.290 21.573 1.00 0.00 C ATOM 141 CE3 TRP A 10 11.911 -18.730 20.047 1.00 0.00 C ATOM 142 CZ2 TRP A 10 14.517 -18.220 21.159 1.00 0.00 C ATOM 143 CZ3 TRP A 10 12.724 -17.664 19.643 1.00 0.00 C ATOM 144 CH2 TRP A 10 13.985 -17.394 20.162 1.00 0.00 C ATOM 0 H TRP A 10 10.884 -23.783 22.641 1.00 0.00 H new ATOM 0 HA TRP A 10 9.818 -21.096 23.384 1.00 0.00 H new ATOM 0 HB2 TRP A 10 10.696 -22.166 20.712 1.00 0.00 H new ATOM 0 HB3 TRP A 10 9.907 -20.626 20.990 1.00 0.00 H new ATOM 0 HD1 TRP A 10 12.784 -21.953 23.230 1.00 0.00 H new ATOM 0 HE1 TRP A 10 14.815 -20.348 23.097 1.00 0.00 H new ATOM 0 HE3 TRP A 10 10.935 -18.911 19.622 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 15.493 -18.041 21.586 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 12.345 -17.006 18.875 1.00 0.00 H new ATOM 0 HH2 TRP A 10 14.552 -16.550 19.797 1.00 0.00 H new ATOM 155 N THR A 11 7.575 -21.566 22.173 1.00 0.00 N ATOM 156 CA THR A 11 6.199 -21.944 21.899 1.00 0.00 C ATOM 157 C THR A 11 5.506 -20.866 21.063 1.00 0.00 C ATOM 158 O THR A 11 6.071 -19.799 20.829 1.00 0.00 O ATOM 159 CB THR A 11 5.507 -22.213 23.237 1.00 0.00 C ATOM 160 OG1 THR A 11 5.628 -20.982 23.944 1.00 0.00 O ATOM 161 CG2 THR A 11 6.274 -23.216 24.101 1.00 0.00 C ATOM 0 H THR A 11 7.753 -20.562 22.155 1.00 0.00 H new ATOM 0 HA THR A 11 6.151 -22.855 21.302 1.00 0.00 H new ATOM 0 HB THR A 11 4.499 -22.586 23.056 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.554 -20.866 24.243 1.00 0.00 H new ATOM 0 HG21 THR A 11 5.740 -23.371 25.039 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.358 -24.164 23.570 1.00 0.00 H new ATOM 0 HG23 THR A 11 7.271 -22.828 24.311 1.00 0.00 H new ATOM 169 N LYS A 12 4.292 -21.183 20.636 1.00 0.00 N ATOM 170 CA LYS A 12 3.517 -20.255 19.831 1.00 0.00 C ATOM 171 C LYS A 12 3.712 -18.835 20.367 1.00 0.00 C ATOM 172 O LYS A 12 3.682 -17.870 19.605 1.00 0.00 O ATOM 173 CB LYS A 12 2.052 -20.693 19.770 1.00 0.00 C ATOM 174 CG LYS A 12 1.300 -19.939 18.672 1.00 0.00 C ATOM 175 CD LYS A 12 -0.151 -19.676 19.082 1.00 0.00 C ATOM 176 CE LYS A 12 -0.570 -18.247 18.731 1.00 0.00 C ATOM 177 NZ LYS A 12 -1.876 -18.247 18.034 1.00 0.00 N ATOM 0 H LYS A 12 3.827 -22.069 20.833 1.00 0.00 H new ATOM 0 HA LYS A 12 3.870 -20.258 18.800 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.997 -21.765 19.583 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.574 -20.512 20.733 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.801 -18.993 18.467 1.00 0.00 H new ATOM 0 HG3 LYS A 12 1.322 -20.518 17.748 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -0.809 -20.385 18.580 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -0.265 -19.839 20.154 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -0.635 -17.647 19.639 1.00 0.00 H new ATOM 0 HE3 LYS A 12 0.187 -17.785 18.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -2.146 -17.270 17.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -1.802 -18.802 17.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -2.599 -18.669 18.651 1.00 0.00 H new ATOM 191 N GLU A 13 3.907 -18.752 21.675 1.00 0.00 N ATOM 192 CA GLU A 13 4.107 -17.467 22.322 1.00 0.00 C ATOM 193 C GLU A 13 5.374 -16.796 21.790 1.00 0.00 C ATOM 194 O GLU A 13 5.342 -15.635 21.383 1.00 0.00 O ATOM 195 CB GLU A 13 4.166 -17.622 23.843 1.00 0.00 C ATOM 196 CG GLU A 13 3.380 -16.509 24.539 1.00 0.00 C ATOM 197 CD GLU A 13 4.296 -15.663 25.426 1.00 0.00 C ATOM 198 OE1 GLU A 13 5.385 -15.299 24.933 1.00 0.00 O ATOM 199 OE2 GLU A 13 3.886 -15.399 26.577 1.00 0.00 O ATOM 0 H GLU A 13 3.931 -19.554 22.304 1.00 0.00 H new ATOM 0 HA GLU A 13 3.255 -16.828 22.088 1.00 0.00 H new ATOM 0 HB2 GLU A 13 3.760 -18.592 24.129 1.00 0.00 H new ATOM 0 HB3 GLU A 13 5.204 -17.601 24.174 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.903 -15.874 23.792 1.00 0.00 H new ATOM 0 HG3 GLU A 13 2.584 -16.944 25.143 1.00 0.00 H new ATOM 206 N GLU A 14 6.460 -17.555 21.809 1.00 0.00 N ATOM 207 CA GLU A 14 7.736 -17.048 21.333 1.00 0.00 C ATOM 208 C GLU A 14 7.594 -16.505 19.909 1.00 0.00 C ATOM 209 O GLU A 14 8.425 -15.721 19.454 1.00 0.00 O ATOM 210 CB GLU A 14 8.816 -18.130 21.401 1.00 0.00 C ATOM 211 CG GLU A 14 9.307 -18.324 22.837 1.00 0.00 C ATOM 212 CD GLU A 14 8.144 -18.654 23.775 1.00 0.00 C ATOM 213 OE1 GLU A 14 7.453 -17.696 24.182 1.00 0.00 O ATOM 214 OE2 GLU A 14 7.972 -19.859 24.062 1.00 0.00 O ATOM 0 H GLU A 14 6.483 -18.517 22.147 1.00 0.00 H new ATOM 0 HA GLU A 14 8.045 -16.230 21.984 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.419 -19.070 21.018 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.654 -17.854 20.761 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.043 -19.127 22.868 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.809 -17.419 23.179 1.00 0.00 H new ATOM 221 N ASP A 15 6.533 -16.943 19.246 1.00 0.00 N ATOM 222 CA ASP A 15 6.272 -16.511 17.884 1.00 0.00 C ATOM 223 C ASP A 15 5.358 -15.284 17.910 1.00 0.00 C ATOM 224 O ASP A 15 5.407 -14.449 17.008 1.00 0.00 O ATOM 225 CB ASP A 15 5.568 -17.608 17.083 1.00 0.00 C ATOM 226 CG ASP A 15 6.500 -18.559 16.330 1.00 0.00 C ATOM 227 OD1 ASP A 15 6.840 -18.223 15.175 1.00 0.00 O ATOM 228 OD2 ASP A 15 6.853 -19.599 16.926 1.00 0.00 O ATOM 0 H ASP A 15 5.845 -17.592 19.627 1.00 0.00 H new ATOM 0 HA ASP A 15 7.228 -16.279 17.414 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.949 -18.193 17.763 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.896 -17.138 16.365 1.00 0.00 H new ATOM 233 N GLN A 16 4.544 -15.214 18.953 1.00 0.00 N ATOM 234 CA GLN A 16 3.620 -14.103 19.108 1.00 0.00 C ATOM 235 C GLN A 16 4.356 -12.871 19.637 1.00 0.00 C ATOM 236 O GLN A 16 3.973 -11.740 19.341 1.00 0.00 O ATOM 237 CB GLN A 16 2.456 -14.483 20.025 1.00 0.00 C ATOM 238 CG GLN A 16 2.782 -14.165 21.486 1.00 0.00 C ATOM 239 CD GLN A 16 1.505 -14.049 22.320 1.00 0.00 C ATOM 240 OE1 GLN A 16 0.975 -15.023 22.830 1.00 0.00 O ATOM 241 NE2 GLN A 16 1.041 -12.808 22.431 1.00 0.00 N ATOM 0 H GLN A 16 4.505 -15.908 19.699 1.00 0.00 H new ATOM 0 HA GLN A 16 3.205 -13.861 18.130 1.00 0.00 H new ATOM 0 HB2 GLN A 16 1.559 -13.942 19.723 1.00 0.00 H new ATOM 0 HB3 GLN A 16 2.238 -15.546 19.920 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.420 -14.947 21.898 1.00 0.00 H new ATOM 0 HG3 GLN A 16 3.343 -13.232 21.542 1.00 0.00 H new ATOM 0 HE21 GLN A 16 1.533 -12.037 21.979 1.00 0.00 H new ATOM 0 HE22 GLN A 16 0.193 -12.627 22.968 1.00 0.00 H new ATOM 250 N LYS A 17 5.399 -13.131 20.411 1.00 0.00 N ATOM 251 CA LYS A 17 6.192 -12.057 20.985 1.00 0.00 C ATOM 252 C LYS A 17 7.168 -11.531 19.930 1.00 0.00 C ATOM 253 O LYS A 17 7.199 -10.334 19.650 1.00 0.00 O ATOM 254 CB LYS A 17 6.871 -12.522 22.274 1.00 0.00 C ATOM 255 CG LYS A 17 6.773 -11.451 23.362 1.00 0.00 C ATOM 256 CD LYS A 17 7.715 -11.764 24.527 1.00 0.00 C ATOM 257 CE LYS A 17 7.193 -11.160 25.832 1.00 0.00 C ATOM 258 NZ LYS A 17 7.835 -9.852 26.091 1.00 0.00 N ATOM 0 H LYS A 17 5.714 -14.070 20.654 1.00 0.00 H new ATOM 0 HA LYS A 17 5.553 -11.223 21.273 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.405 -13.444 22.623 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.918 -12.750 22.076 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.021 -10.476 22.941 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.747 -11.390 23.726 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.817 -12.844 24.637 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.708 -11.370 24.312 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.112 -11.036 25.775 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.393 -11.840 26.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.469 -9.456 26.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.864 -9.979 26.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.623 -9.200 25.309 1.00 0.00 H new ATOM 272 N VAL A 18 7.942 -12.452 19.375 1.00 0.00 N ATOM 273 CA VAL A 18 8.917 -12.096 18.358 1.00 0.00 C ATOM 274 C VAL A 18 8.201 -11.424 17.184 1.00 0.00 C ATOM 275 O VAL A 18 8.809 -10.658 16.438 1.00 0.00 O ATOM 276 CB VAL A 18 9.715 -13.333 17.942 1.00 0.00 C ATOM 277 CG1 VAL A 18 10.240 -13.192 16.512 1.00 0.00 C ATOM 278 CG2 VAL A 18 10.858 -13.603 18.922 1.00 0.00 C ATOM 0 H VAL A 18 7.914 -13.444 19.610 1.00 0.00 H new ATOM 0 HA VAL A 18 9.637 -11.379 18.754 1.00 0.00 H new ATOM 0 HB VAL A 18 9.042 -14.190 17.968 1.00 0.00 H new ATOM 0 HG11 VAL A 18 10.804 -14.085 16.242 1.00 0.00 H new ATOM 0 HG12 VAL A 18 9.401 -13.071 15.827 1.00 0.00 H new ATOM 0 HG13 VAL A 18 10.890 -12.319 16.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.409 -14.488 18.603 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.530 -12.745 18.943 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.451 -13.769 19.919 1.00 0.00 H new ATOM 288 N ILE A 19 6.920 -11.736 17.057 1.00 0.00 N ATOM 289 CA ILE A 19 6.115 -11.173 15.987 1.00 0.00 C ATOM 290 C ILE A 19 5.854 -9.693 16.276 1.00 0.00 C ATOM 291 O ILE A 19 6.460 -8.820 15.655 1.00 0.00 O ATOM 292 CB ILE A 19 4.839 -11.994 15.787 1.00 0.00 C ATOM 293 CG1 ILE A 19 5.059 -13.107 14.760 1.00 0.00 C ATOM 294 CG2 ILE A 19 3.661 -11.093 15.412 1.00 0.00 C ATOM 295 CD1 ILE A 19 6.511 -13.589 14.777 1.00 0.00 C ATOM 0 H ILE A 19 6.419 -12.372 17.678 1.00 0.00 H new ATOM 0 HA ILE A 19 6.652 -11.224 15.040 1.00 0.00 H new ATOM 0 HB ILE A 19 4.589 -12.474 16.733 1.00 0.00 H new ATOM 0 HG12 ILE A 19 4.392 -13.942 14.975 1.00 0.00 H new ATOM 0 HG13 ILE A 19 4.804 -12.744 13.764 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.767 -11.701 15.276 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.489 -10.369 16.208 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.887 -10.566 14.485 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.641 -14.380 14.038 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.173 -12.757 14.538 1.00 0.00 H new ATOM 0 HD13 ILE A 19 6.755 -13.974 15.767 1.00 0.00 H new ATOM 307 N GLU A 20 4.953 -9.456 17.218 1.00 0.00 N ATOM 308 CA GLU A 20 4.606 -8.097 17.596 1.00 0.00 C ATOM 309 C GLU A 20 5.871 -7.281 17.866 1.00 0.00 C ATOM 310 O GLU A 20 5.850 -6.053 17.793 1.00 0.00 O ATOM 311 CB GLU A 20 3.677 -8.087 18.812 1.00 0.00 C ATOM 312 CG GLU A 20 4.469 -8.268 20.109 1.00 0.00 C ATOM 313 CD GLU A 20 3.558 -8.729 21.248 1.00 0.00 C ATOM 314 OE1 GLU A 20 2.961 -9.816 21.093 1.00 0.00 O ATOM 315 OE2 GLU A 20 3.480 -7.984 22.248 1.00 0.00 O ATOM 0 H GLU A 20 4.453 -10.182 17.731 1.00 0.00 H new ATOM 0 HA GLU A 20 4.070 -7.636 16.766 1.00 0.00 H new ATOM 0 HB2 GLU A 20 3.127 -7.147 18.846 1.00 0.00 H new ATOM 0 HB3 GLU A 20 2.940 -8.884 18.718 1.00 0.00 H new ATOM 0 HG2 GLU A 20 5.263 -8.999 19.955 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.949 -7.328 20.380 1.00 0.00 H new ATOM 322 N LEU A 21 6.944 -7.996 18.172 1.00 0.00 N ATOM 323 CA LEU A 21 8.216 -7.353 18.453 1.00 0.00 C ATOM 324 C LEU A 21 8.874 -6.936 17.136 1.00 0.00 C ATOM 325 O LEU A 21 9.104 -5.751 16.902 1.00 0.00 O ATOM 326 CB LEU A 21 9.094 -8.259 19.319 1.00 0.00 C ATOM 327 CG LEU A 21 8.746 -8.307 20.808 1.00 0.00 C ATOM 328 CD1 LEU A 21 9.407 -9.507 21.488 1.00 0.00 C ATOM 329 CD2 LEU A 21 9.104 -6.989 21.498 1.00 0.00 C ATOM 0 H LEU A 21 6.958 -9.014 18.231 1.00 0.00 H new ATOM 0 HA LEU A 21 8.063 -6.444 19.035 1.00 0.00 H new ATOM 0 HB2 LEU A 21 9.040 -9.272 18.921 1.00 0.00 H new ATOM 0 HB3 LEU A 21 10.129 -7.932 19.219 1.00 0.00 H new ATOM 0 HG LEU A 21 7.668 -8.437 20.902 1.00 0.00 H new ATOM 0 HD11 LEU A 21 9.143 -9.517 22.546 1.00 0.00 H new ATOM 0 HD12 LEU A 21 9.060 -10.428 21.019 1.00 0.00 H new ATOM 0 HD13 LEU A 21 10.490 -9.433 21.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 8.846 -7.050 22.555 1.00 0.00 H new ATOM 0 HD22 LEU A 21 10.173 -6.803 21.395 1.00 0.00 H new ATOM 0 HD23 LEU A 21 8.548 -6.173 21.036 1.00 0.00 H new ATOM 341 N VAL A 22 9.158 -7.933 16.312 1.00 0.00 N ATOM 342 CA VAL A 22 9.784 -7.685 15.024 1.00 0.00 C ATOM 343 C VAL A 22 8.927 -6.701 14.226 1.00 0.00 C ATOM 344 O VAL A 22 9.405 -6.083 13.276 1.00 0.00 O ATOM 345 CB VAL A 22 10.016 -9.007 14.291 1.00 0.00 C ATOM 346 CG1 VAL A 22 10.050 -8.795 12.776 1.00 0.00 C ATOM 347 CG2 VAL A 22 11.296 -9.688 14.779 1.00 0.00 C ATOM 0 H VAL A 22 8.966 -8.915 16.511 1.00 0.00 H new ATOM 0 HA VAL A 22 10.764 -7.227 15.158 1.00 0.00 H new ATOM 0 HB VAL A 22 9.179 -9.667 14.518 1.00 0.00 H new ATOM 0 HG11 VAL A 22 10.216 -9.751 12.279 1.00 0.00 H new ATOM 0 HG12 VAL A 22 9.100 -8.375 12.446 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.858 -8.109 12.523 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.437 -10.626 14.241 1.00 0.00 H new ATOM 0 HG22 VAL A 22 12.148 -9.034 14.597 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.216 -9.891 15.847 1.00 0.00 H new ATOM 357 N LYS A 23 7.674 -6.585 14.642 1.00 0.00 N ATOM 358 CA LYS A 23 6.745 -5.686 13.977 1.00 0.00 C ATOM 359 C LYS A 23 7.028 -4.249 14.419 1.00 0.00 C ATOM 360 O LYS A 23 7.186 -3.359 13.584 1.00 0.00 O ATOM 361 CB LYS A 23 5.302 -6.131 14.222 1.00 0.00 C ATOM 362 CG LYS A 23 4.982 -7.409 13.442 1.00 0.00 C ATOM 363 CD LYS A 23 3.788 -7.198 12.509 1.00 0.00 C ATOM 364 CE LYS A 23 3.248 -8.535 11.999 1.00 0.00 C ATOM 365 NZ LYS A 23 3.877 -8.889 10.707 1.00 0.00 N ATOM 0 H LYS A 23 7.280 -7.098 15.431 1.00 0.00 H new ATOM 0 HA LYS A 23 6.887 -5.722 12.897 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.146 -6.302 15.287 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.617 -5.337 13.923 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.853 -7.712 12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 23 4.765 -8.219 14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.000 -6.661 13.037 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.087 -6.577 11.665 1.00 0.00 H new ATOM 0 HE2 LYS A 23 3.445 -9.317 12.732 1.00 0.00 H new ATOM 0 HE3 LYS A 23 2.166 -8.475 11.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 3.851 -9.921 10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.358 -8.431 9.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.865 -8.565 10.701 1.00 0.00 H new ATOM 379 N LYS A 24 7.085 -4.067 15.730 1.00 0.00 N ATOM 380 CA LYS A 24 7.347 -2.753 16.292 1.00 0.00 C ATOM 381 C LYS A 24 8.813 -2.385 16.057 1.00 0.00 C ATOM 382 O LYS A 24 9.181 -1.213 16.120 1.00 0.00 O ATOM 383 CB LYS A 24 6.930 -2.707 17.764 1.00 0.00 C ATOM 384 CG LYS A 24 6.515 -1.292 18.172 1.00 0.00 C ATOM 385 CD LYS A 24 7.466 -0.726 19.229 1.00 0.00 C ATOM 386 CE LYS A 24 7.143 -1.289 20.614 1.00 0.00 C ATOM 387 NZ LYS A 24 5.883 -0.708 21.129 1.00 0.00 N ATOM 0 H LYS A 24 6.954 -4.807 16.419 1.00 0.00 H new ATOM 0 HA LYS A 24 6.744 -1.997 15.789 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.102 -3.396 17.933 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.756 -3.042 18.391 1.00 0.00 H new ATOM 0 HG2 LYS A 24 6.511 -0.643 17.296 1.00 0.00 H new ATOM 0 HG3 LYS A 24 5.498 -1.306 18.563 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.495 -0.969 18.965 1.00 0.00 H new ATOM 0 HD3 LYS A 24 7.390 0.361 19.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 7.055 -2.374 20.560 1.00 0.00 H new ATOM 0 HE3 LYS A 24 7.960 -1.069 21.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 5.831 -0.849 22.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.858 0.310 20.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 5.073 -1.176 20.674 1.00 0.00 H new ATOM 401 N TYR A 25 9.611 -3.409 15.790 1.00 0.00 N ATOM 402 CA TYR A 25 11.029 -3.208 15.545 1.00 0.00 C ATOM 403 C TYR A 25 11.312 -3.065 14.048 1.00 0.00 C ATOM 404 O TYR A 25 11.929 -2.090 13.620 1.00 0.00 O ATOM 405 CB TYR A 25 11.730 -4.465 16.066 1.00 0.00 C ATOM 406 CG TYR A 25 11.979 -4.457 17.575 1.00 0.00 C ATOM 407 CD1 TYR A 25 11.004 -3.991 18.434 1.00 0.00 C ATOM 408 CD2 TYR A 25 13.179 -4.917 18.078 1.00 0.00 C ATOM 409 CE1 TYR A 25 11.239 -3.984 19.855 1.00 0.00 C ATOM 410 CE2 TYR A 25 13.414 -4.910 19.499 1.00 0.00 C ATOM 411 CZ TYR A 25 12.433 -4.444 20.317 1.00 0.00 C ATOM 412 OH TYR A 25 12.655 -4.437 21.659 1.00 0.00 O ATOM 0 H TYR A 25 9.302 -4.380 15.738 1.00 0.00 H new ATOM 0 HA TYR A 25 11.378 -2.300 16.037 1.00 0.00 H new ATOM 0 HB2 TYR A 25 11.127 -5.337 15.812 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.684 -4.577 15.551 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.065 -3.632 18.040 1.00 0.00 H new ATOM 0 HD2 TYR A 25 13.942 -5.282 17.406 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.485 -3.622 20.538 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.349 -5.267 19.906 1.00 0.00 H new ATOM 0 HH TYR A 25 13.548 -4.794 21.845 1.00 0.00 H new ATOM 422 N GLY A 26 10.847 -4.050 13.294 1.00 0.00 N ATOM 423 CA GLY A 26 11.042 -4.045 11.854 1.00 0.00 C ATOM 424 C GLY A 26 11.316 -5.458 11.333 1.00 0.00 C ATOM 425 O GLY A 26 10.389 -6.246 11.152 1.00 0.00 O ATOM 0 H GLY A 26 10.336 -4.857 13.653 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.157 -3.638 11.365 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.876 -3.391 11.599 1.00 0.00 H new ATOM 429 N THR A 27 12.592 -5.734 11.108 1.00 0.00 N ATOM 430 CA THR A 27 12.998 -7.038 10.612 1.00 0.00 C ATOM 431 C THR A 27 14.521 -7.106 10.478 1.00 0.00 C ATOM 432 O THR A 27 15.039 -7.715 9.543 1.00 0.00 O ATOM 433 CB THR A 27 12.261 -7.295 9.296 1.00 0.00 C ATOM 434 OG1 THR A 27 11.829 -6.002 8.882 1.00 0.00 O ATOM 435 CG2 THR A 27 10.960 -8.075 9.497 1.00 0.00 C ATOM 0 H THR A 27 13.358 -5.078 11.260 1.00 0.00 H new ATOM 0 HA THR A 27 12.728 -7.829 11.312 1.00 0.00 H new ATOM 0 HB THR A 27 12.913 -7.844 8.616 1.00 0.00 H new ATOM 0 HG1 THR A 27 10.852 -5.990 8.812 1.00 0.00 H new ATOM 0 HG21 THR A 27 10.476 -8.231 8.533 1.00 0.00 H new ATOM 0 HG22 THR A 27 11.181 -9.040 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 27 10.294 -7.510 10.150 1.00 0.00 H new ATOM 443 N LYS A 28 15.196 -6.473 11.426 1.00 0.00 N ATOM 444 CA LYS A 28 16.648 -6.454 11.426 1.00 0.00 C ATOM 445 C LYS A 28 17.155 -6.457 12.870 1.00 0.00 C ATOM 446 O LYS A 28 18.302 -6.099 13.130 1.00 0.00 O ATOM 447 CB LYS A 28 17.169 -5.280 10.594 1.00 0.00 C ATOM 448 CG LYS A 28 18.689 -5.353 10.434 1.00 0.00 C ATOM 449 CD LYS A 28 19.368 -4.152 11.095 1.00 0.00 C ATOM 450 CE LYS A 28 19.966 -3.214 10.044 1.00 0.00 C ATOM 451 NZ LYS A 28 19.127 -2.005 9.891 1.00 0.00 N ATOM 0 H LYS A 28 14.763 -5.969 12.200 1.00 0.00 H new ATOM 0 HA LYS A 28 17.040 -7.352 10.949 1.00 0.00 H new ATOM 0 HB2 LYS A 28 16.696 -5.287 9.612 1.00 0.00 H new ATOM 0 HB3 LYS A 28 16.895 -4.340 11.073 1.00 0.00 H new ATOM 0 HG2 LYS A 28 19.061 -6.276 10.879 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.946 -5.383 9.375 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.644 -3.609 11.702 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.153 -4.498 11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 28 20.976 -2.928 10.336 1.00 0.00 H new ATOM 0 HE3 LYS A 28 20.045 -3.732 9.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 19.547 -1.379 9.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 18.170 -2.282 9.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.073 -1.503 10.800 1.00 0.00 H new ATOM 465 N GLN A 29 16.274 -6.866 13.771 1.00 0.00 N ATOM 466 CA GLN A 29 16.617 -6.921 15.182 1.00 0.00 C ATOM 467 C GLN A 29 16.359 -8.323 15.737 1.00 0.00 C ATOM 468 O GLN A 29 15.550 -8.495 16.648 1.00 0.00 O ATOM 469 CB GLN A 29 15.844 -5.866 15.975 1.00 0.00 C ATOM 470 CG GLN A 29 16.403 -4.466 15.716 1.00 0.00 C ATOM 471 CD GLN A 29 15.366 -3.391 16.048 1.00 0.00 C ATOM 472 OE1 GLN A 29 15.244 -2.936 17.173 1.00 0.00 O ATOM 473 NE2 GLN A 29 14.628 -3.012 15.008 1.00 0.00 N ATOM 0 H GLN A 29 15.323 -7.162 13.551 1.00 0.00 H new ATOM 0 HA GLN A 29 17.679 -6.701 15.287 1.00 0.00 H new ATOM 0 HB2 GLN A 29 14.790 -5.898 15.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 15.901 -6.093 17.040 1.00 0.00 H new ATOM 0 HG2 GLN A 29 17.298 -4.311 16.318 1.00 0.00 H new ATOM 0 HG3 GLN A 29 16.702 -4.378 14.672 1.00 0.00 H new ATOM 0 HE21 GLN A 29 14.782 -3.434 14.092 1.00 0.00 H new ATOM 0 HE22 GLN A 29 13.908 -2.299 15.126 1.00 0.00 H new ATOM 482 N TRP A 30 17.061 -9.290 15.165 1.00 0.00 N ATOM 483 CA TRP A 30 16.918 -10.671 15.592 1.00 0.00 C ATOM 484 C TRP A 30 17.175 -10.730 17.099 1.00 0.00 C ATOM 485 O TRP A 30 16.774 -11.684 17.763 1.00 0.00 O ATOM 486 CB TRP A 30 17.844 -11.591 14.792 1.00 0.00 C ATOM 487 CG TRP A 30 17.188 -12.213 13.558 1.00 0.00 C ATOM 488 CD1 TRP A 30 17.067 -11.685 12.332 1.00 0.00 C ATOM 489 CD2 TRP A 30 16.564 -13.512 13.479 1.00 0.00 C ATOM 490 NE1 TRP A 30 16.413 -12.544 11.473 1.00 0.00 N ATOM 491 CE2 TRP A 30 16.097 -13.691 12.192 1.00 0.00 C ATOM 492 CE3 TRP A 30 16.398 -14.503 14.462 1.00 0.00 C ATOM 493 CZ2 TRP A 30 15.435 -14.850 11.771 1.00 0.00 C ATOM 494 CZ3 TRP A 30 15.735 -15.656 14.025 1.00 0.00 C ATOM 495 CH2 TRP A 30 15.259 -15.851 12.733 1.00 0.00 C ATOM 0 H TRP A 30 17.730 -9.144 14.409 1.00 0.00 H new ATOM 0 HA TRP A 30 15.908 -11.032 15.397 1.00 0.00 H new ATOM 0 HB2 TRP A 30 18.720 -11.024 14.478 1.00 0.00 H new ATOM 0 HB3 TRP A 30 18.198 -12.389 15.444 1.00 0.00 H new ATOM 0 HD1 TRP A 30 17.435 -10.709 12.052 1.00 0.00 H new ATOM 0 HE1 TRP A 30 16.200 -12.370 10.491 1.00 0.00 H new ATOM 0 HE3 TRP A 30 16.754 -14.384 15.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 15.079 -14.966 10.758 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 15.583 -16.450 14.741 1.00 0.00 H new ATOM 0 HH2 TRP A 30 14.756 -16.771 12.473 1.00 0.00 H new ATOM 506 N THR A 31 17.841 -9.697 17.594 1.00 0.00 N ATOM 507 CA THR A 31 18.155 -9.619 19.010 1.00 0.00 C ATOM 508 C THR A 31 16.877 -9.714 19.846 1.00 0.00 C ATOM 509 O THR A 31 16.818 -10.473 20.813 1.00 0.00 O ATOM 510 CB THR A 31 18.943 -8.329 19.249 1.00 0.00 C ATOM 511 OG1 THR A 31 20.143 -8.768 19.881 1.00 0.00 O ATOM 512 CG2 THR A 31 18.283 -7.424 20.292 1.00 0.00 C ATOM 0 H THR A 31 18.172 -8.907 17.039 1.00 0.00 H new ATOM 0 HA THR A 31 18.775 -10.459 19.325 1.00 0.00 H new ATOM 0 HB THR A 31 19.044 -7.786 18.309 1.00 0.00 H new ATOM 0 HG1 THR A 31 20.715 -7.995 20.071 1.00 0.00 H new ATOM 0 HG21 THR A 31 18.882 -6.523 20.424 1.00 0.00 H new ATOM 0 HG22 THR A 31 17.284 -7.149 19.955 1.00 0.00 H new ATOM 0 HG23 THR A 31 18.212 -7.955 21.242 1.00 0.00 H new ATOM 520 N LEU A 32 15.886 -8.933 19.444 1.00 0.00 N ATOM 521 CA LEU A 32 14.612 -8.920 20.144 1.00 0.00 C ATOM 522 C LEU A 32 14.068 -10.347 20.230 1.00 0.00 C ATOM 523 O LEU A 32 13.212 -10.639 21.064 1.00 0.00 O ATOM 524 CB LEU A 32 13.648 -7.932 19.483 1.00 0.00 C ATOM 525 CG LEU A 32 12.795 -8.490 18.342 1.00 0.00 C ATOM 526 CD1 LEU A 32 11.822 -9.554 18.854 1.00 0.00 C ATOM 527 CD2 LEU A 32 12.073 -7.365 17.597 1.00 0.00 C ATOM 0 H LEU A 32 15.939 -8.304 18.642 1.00 0.00 H new ATOM 0 HA LEU A 32 14.742 -8.566 21.167 1.00 0.00 H new ATOM 0 HB2 LEU A 32 12.981 -7.537 20.250 1.00 0.00 H new ATOM 0 HB3 LEU A 32 14.226 -7.091 19.100 1.00 0.00 H new ATOM 0 HG LEU A 32 13.458 -8.977 17.627 1.00 0.00 H new ATOM 0 HD11 LEU A 32 11.228 -9.934 18.023 1.00 0.00 H new ATOM 0 HD12 LEU A 32 12.383 -10.373 19.304 1.00 0.00 H new ATOM 0 HD13 LEU A 32 11.161 -9.114 19.601 1.00 0.00 H new ATOM 0 HD21 LEU A 32 11.474 -7.788 16.791 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.424 -6.829 18.289 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.807 -6.675 17.180 1.00 0.00 H new ATOM 539 N ILE A 33 14.586 -11.198 19.357 1.00 0.00 N ATOM 540 CA ILE A 33 14.162 -12.587 19.324 1.00 0.00 C ATOM 541 C ILE A 33 15.054 -13.410 20.256 1.00 0.00 C ATOM 542 O ILE A 33 14.563 -14.250 21.008 1.00 0.00 O ATOM 543 CB ILE A 33 14.134 -13.105 17.884 1.00 0.00 C ATOM 544 CG1 ILE A 33 13.064 -12.383 17.063 1.00 0.00 C ATOM 545 CG2 ILE A 33 13.954 -14.624 17.851 1.00 0.00 C ATOM 546 CD1 ILE A 33 13.619 -11.095 16.451 1.00 0.00 C ATOM 0 H ILE A 33 15.296 -10.952 18.667 1.00 0.00 H new ATOM 0 HA ILE A 33 13.141 -12.682 19.693 1.00 0.00 H new ATOM 0 HB ILE A 33 15.097 -12.885 17.423 1.00 0.00 H new ATOM 0 HG12 ILE A 33 12.703 -13.040 16.272 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.209 -12.149 17.698 1.00 0.00 H new ATOM 0 HG21 ILE A 33 13.937 -14.966 16.816 1.00 0.00 H new ATOM 0 HG22 ILE A 33 14.781 -15.100 18.377 1.00 0.00 H new ATOM 0 HG23 ILE A 33 13.015 -14.890 18.336 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.838 -10.601 15.873 1.00 0.00 H new ATOM 0 HD12 ILE A 33 13.957 -10.430 17.246 1.00 0.00 H new ATOM 0 HD13 ILE A 33 14.458 -11.335 15.798 1.00 0.00 H new ATOM 558 N ALA A 34 16.348 -13.139 20.176 1.00 0.00 N ATOM 559 CA ALA A 34 17.313 -13.844 21.003 1.00 0.00 C ATOM 560 C ALA A 34 17.590 -13.025 22.265 1.00 0.00 C ATOM 561 O ALA A 34 18.610 -13.220 22.924 1.00 0.00 O ATOM 562 CB ALA A 34 18.582 -14.111 20.191 1.00 0.00 C ATOM 0 H ALA A 34 16.751 -12.441 19.551 1.00 0.00 H new ATOM 0 HA ALA A 34 16.917 -14.810 21.317 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.306 -14.640 20.811 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.336 -14.720 19.321 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.009 -13.164 19.862 1.00 0.00 H new ATOM 568 N LYS A 35 16.663 -12.127 22.565 1.00 0.00 N ATOM 569 CA LYS A 35 16.794 -11.279 23.737 1.00 0.00 C ATOM 570 C LYS A 35 15.581 -11.481 24.647 1.00 0.00 C ATOM 571 O LYS A 35 15.717 -11.526 25.868 1.00 0.00 O ATOM 572 CB LYS A 35 17.016 -9.823 23.322 1.00 0.00 C ATOM 573 CG LYS A 35 17.388 -8.959 24.530 1.00 0.00 C ATOM 574 CD LYS A 35 16.474 -7.736 24.631 1.00 0.00 C ATOM 575 CE LYS A 35 16.773 -6.734 23.514 1.00 0.00 C ATOM 576 NZ LYS A 35 18.030 -6.005 23.796 1.00 0.00 N ATOM 0 H LYS A 35 15.818 -11.968 22.016 1.00 0.00 H new ATOM 0 HA LYS A 35 17.675 -11.560 24.314 1.00 0.00 H new ATOM 0 HB2 LYS A 35 17.808 -9.771 22.575 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.112 -9.432 22.855 1.00 0.00 H new ATOM 0 HG2 LYS A 35 17.312 -9.551 25.442 1.00 0.00 H new ATOM 0 HG3 LYS A 35 18.426 -8.636 24.445 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.432 -8.051 24.573 1.00 0.00 H new ATOM 0 HD3 LYS A 35 16.608 -7.256 25.600 1.00 0.00 H new ATOM 0 HE2 LYS A 35 16.854 -7.256 22.561 1.00 0.00 H new ATOM 0 HE3 LYS A 35 15.949 -6.027 23.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.132 -5.217 23.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.005 -5.632 24.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.837 -6.653 23.695 1.00 0.00 H new ATOM 590 N HIS A 36 14.422 -11.598 24.016 1.00 0.00 N ATOM 591 CA HIS A 36 13.185 -11.794 24.753 1.00 0.00 C ATOM 592 C HIS A 36 13.021 -13.276 25.094 1.00 0.00 C ATOM 593 O HIS A 36 12.124 -13.648 25.850 1.00 0.00 O ATOM 594 CB HIS A 36 11.994 -11.230 23.976 1.00 0.00 C ATOM 595 CG HIS A 36 12.170 -9.795 23.538 1.00 0.00 C ATOM 596 ND1 HIS A 36 13.233 -9.164 22.962 1.00 0.00 N flip ATOM 597 CD2 HIS A 36 11.178 -8.841 23.680 1.00 0.00 C flip ATOM 598 CE1 HIS A 36 12.907 -7.893 22.761 1.00 0.00 C flip ATOM 599 NE2 HIS A 36 11.634 -7.690 23.206 1.00 0.00 N flip ATOM 0 H HIS A 36 14.313 -11.561 23.002 1.00 0.00 H new ATOM 0 HA HIS A 36 13.226 -11.242 25.692 1.00 0.00 H new ATOM 0 HB2 HIS A 36 11.822 -11.849 23.096 1.00 0.00 H new ATOM 0 HB3 HIS A 36 11.101 -11.303 24.597 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.199 -9.006 24.105 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.545 -7.143 22.318 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.123 -6.808 23.179 1.00 0.00 H new ATOM 607 N LEU A 37 13.901 -14.084 24.521 1.00 0.00 N ATOM 608 CA LEU A 37 13.866 -15.517 24.755 1.00 0.00 C ATOM 609 C LEU A 37 15.290 -16.029 24.980 1.00 0.00 C ATOM 610 O LEU A 37 16.008 -16.315 24.023 1.00 0.00 O ATOM 611 CB LEU A 37 13.129 -16.228 23.618 1.00 0.00 C ATOM 612 CG LEU A 37 12.026 -15.423 22.928 1.00 0.00 C ATOM 613 CD1 LEU A 37 11.739 -15.975 21.530 1.00 0.00 C ATOM 614 CD2 LEU A 37 10.765 -15.368 23.792 1.00 0.00 C ATOM 0 H LEU A 37 14.643 -13.773 23.895 1.00 0.00 H new ATOM 0 HA LEU A 37 13.301 -15.741 25.660 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.861 -16.523 22.866 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.690 -17.144 24.013 1.00 0.00 H new ATOM 0 HG LEU A 37 12.376 -14.398 22.805 1.00 0.00 H new ATOM 0 HD11 LEU A 37 10.951 -15.386 21.061 1.00 0.00 H new ATOM 0 HD12 LEU A 37 12.643 -15.920 20.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.417 -17.014 21.608 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.997 -14.790 23.278 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.400 -16.380 23.968 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.998 -14.895 24.746 1.00 0.00 H new ATOM 626 N LYS A 38 15.656 -16.127 26.249 1.00 0.00 N ATOM 627 CA LYS A 38 16.982 -16.599 26.611 1.00 0.00 C ATOM 628 C LYS A 38 16.935 -18.111 26.841 1.00 0.00 C ATOM 629 O LYS A 38 16.923 -18.569 27.983 1.00 0.00 O ATOM 630 CB LYS A 38 17.523 -15.812 27.806 1.00 0.00 C ATOM 631 CG LYS A 38 17.211 -14.320 27.667 1.00 0.00 C ATOM 632 CD LYS A 38 18.106 -13.669 26.610 1.00 0.00 C ATOM 633 CE LYS A 38 19.280 -12.936 27.263 1.00 0.00 C ATOM 634 NZ LYS A 38 20.561 -13.577 26.894 1.00 0.00 N ATOM 0 H LYS A 38 15.058 -15.888 27.040 1.00 0.00 H new ATOM 0 HA LYS A 38 17.685 -16.421 25.797 1.00 0.00 H new ATOM 0 HB2 LYS A 38 17.083 -16.195 28.727 1.00 0.00 H new ATOM 0 HB3 LYS A 38 18.601 -15.956 27.883 1.00 0.00 H new ATOM 0 HG2 LYS A 38 16.164 -14.188 27.394 1.00 0.00 H new ATOM 0 HG3 LYS A 38 17.355 -13.824 28.627 1.00 0.00 H new ATOM 0 HD2 LYS A 38 18.482 -14.431 25.928 1.00 0.00 H new ATOM 0 HD3 LYS A 38 17.521 -12.968 26.014 1.00 0.00 H new ATOM 0 HE2 LYS A 38 19.285 -11.892 26.948 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.163 -12.942 28.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 21.347 -13.067 27.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 20.560 -14.566 27.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 20.678 -13.549 25.861 1.00 0.00 H new ATOM 648 N GLY A 39 16.910 -18.845 25.739 1.00 0.00 N ATOM 649 CA GLY A 39 16.865 -20.296 25.806 1.00 0.00 C ATOM 650 C GLY A 39 17.502 -20.922 24.564 1.00 0.00 C ATOM 651 O GLY A 39 18.208 -21.925 24.663 1.00 0.00 O ATOM 0 H GLY A 39 16.920 -18.462 24.794 1.00 0.00 H new ATOM 0 HA2 GLY A 39 17.388 -20.639 26.699 1.00 0.00 H new ATOM 0 HA3 GLY A 39 15.830 -20.628 25.895 1.00 0.00 H new ATOM 655 N ARG A 40 17.230 -20.305 23.423 1.00 0.00 N ATOM 656 CA ARG A 40 17.767 -20.790 22.163 1.00 0.00 C ATOM 657 C ARG A 40 18.471 -19.656 21.415 1.00 0.00 C ATOM 658 O ARG A 40 18.674 -18.576 21.967 1.00 0.00 O ATOM 659 CB ARG A 40 16.661 -21.367 21.278 1.00 0.00 C ATOM 660 CG ARG A 40 17.107 -22.679 20.629 1.00 0.00 C ATOM 661 CD ARG A 40 17.109 -22.562 19.103 1.00 0.00 C ATOM 662 NE ARG A 40 15.986 -23.340 18.534 1.00 0.00 N ATOM 663 CZ ARG A 40 15.505 -23.169 17.295 1.00 0.00 C ATOM 664 NH1 ARG A 40 16.046 -22.246 16.488 1.00 0.00 N ATOM 665 NH2 ARG A 40 14.483 -23.920 16.863 1.00 0.00 N ATOM 0 H ARG A 40 16.645 -19.473 23.345 1.00 0.00 H new ATOM 0 HA ARG A 40 18.483 -21.580 22.390 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.765 -21.538 21.875 1.00 0.00 H new ATOM 0 HB3 ARG A 40 16.396 -20.646 20.505 1.00 0.00 H new ATOM 0 HG2 ARG A 40 18.106 -22.941 20.979 1.00 0.00 H new ATOM 0 HG3 ARG A 40 16.440 -23.485 20.935 1.00 0.00 H new ATOM 0 HD2 ARG A 40 17.022 -21.516 18.810 1.00 0.00 H new ATOM 0 HD3 ARG A 40 18.055 -22.928 18.703 1.00 0.00 H new ATOM 0 HE ARG A 40 15.551 -24.051 19.122 1.00 0.00 H new ATOM 0 HH11 ARG A 40 16.824 -21.674 16.817 1.00 0.00 H new ATOM 0 HH12 ARG A 40 15.680 -22.116 15.545 1.00 0.00 H new ATOM 0 HH21 ARG A 40 14.071 -24.622 17.477 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.117 -23.789 15.920 1.00 0.00 H new ATOM 679 N LEU A 41 18.823 -19.941 20.170 1.00 0.00 N ATOM 680 CA LEU A 41 19.499 -18.958 19.340 1.00 0.00 C ATOM 681 C LEU A 41 18.460 -18.034 18.702 1.00 0.00 C ATOM 682 O LEU A 41 17.274 -18.114 19.019 1.00 0.00 O ATOM 683 CB LEU A 41 20.411 -19.650 18.326 1.00 0.00 C ATOM 684 CG LEU A 41 21.856 -19.883 18.773 1.00 0.00 C ATOM 685 CD1 LEU A 41 22.658 -18.581 18.736 1.00 0.00 C ATOM 686 CD2 LEU A 41 21.904 -20.548 20.150 1.00 0.00 C ATOM 0 H LEU A 41 18.653 -20.838 19.716 1.00 0.00 H new ATOM 0 HA LEU A 41 20.153 -18.332 19.947 1.00 0.00 H new ATOM 0 HB2 LEU A 41 19.971 -20.614 18.070 1.00 0.00 H new ATOM 0 HB3 LEU A 41 20.425 -19.054 17.414 1.00 0.00 H new ATOM 0 HG LEU A 41 22.325 -20.570 18.068 1.00 0.00 H new ATOM 0 HD11 LEU A 41 23.681 -18.775 19.058 1.00 0.00 H new ATOM 0 HD12 LEU A 41 22.666 -18.187 17.720 1.00 0.00 H new ATOM 0 HD13 LEU A 41 22.199 -17.852 19.404 1.00 0.00 H new ATOM 0 HD21 LEU A 41 22.942 -20.702 20.444 1.00 0.00 H new ATOM 0 HD22 LEU A 41 21.412 -19.907 20.881 1.00 0.00 H new ATOM 0 HD23 LEU A 41 21.392 -21.510 20.108 1.00 0.00 H new ATOM 698 N GLY A 42 18.943 -17.177 17.814 1.00 0.00 N ATOM 699 CA GLY A 42 18.070 -16.238 17.129 1.00 0.00 C ATOM 700 C GLY A 42 18.589 -15.934 15.722 1.00 0.00 C ATOM 701 O GLY A 42 19.290 -14.945 15.516 1.00 0.00 O ATOM 0 H GLY A 42 19.927 -17.113 17.553 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.063 -16.650 17.068 1.00 0.00 H new ATOM 0 HA3 GLY A 42 18.002 -15.314 17.703 1.00 0.00 H new ATOM 705 N LYS A 43 18.225 -16.803 14.791 1.00 0.00 N ATOM 706 CA LYS A 43 18.645 -16.640 13.410 1.00 0.00 C ATOM 707 C LYS A 43 17.870 -17.620 12.526 1.00 0.00 C ATOM 708 O LYS A 43 17.371 -17.245 11.467 1.00 0.00 O ATOM 709 CB LYS A 43 20.165 -16.775 13.292 1.00 0.00 C ATOM 710 CG LYS A 43 20.691 -16.010 12.077 1.00 0.00 C ATOM 711 CD LYS A 43 20.559 -16.846 10.802 1.00 0.00 C ATOM 712 CE LYS A 43 21.457 -16.298 9.692 1.00 0.00 C ATOM 713 NZ LYS A 43 21.667 -17.321 8.643 1.00 0.00 N ATOM 0 H LYS A 43 17.644 -17.623 14.966 1.00 0.00 H new ATOM 0 HA LYS A 43 18.409 -15.636 13.057 1.00 0.00 H new ATOM 0 HB2 LYS A 43 20.639 -16.396 14.198 1.00 0.00 H new ATOM 0 HB3 LYS A 43 20.435 -17.828 13.208 1.00 0.00 H new ATOM 0 HG2 LYS A 43 20.139 -15.077 11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 43 21.736 -15.744 12.235 1.00 0.00 H new ATOM 0 HD2 LYS A 43 20.826 -17.882 11.013 1.00 0.00 H new ATOM 0 HD3 LYS A 43 19.521 -16.846 10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 43 21.003 -15.408 9.255 1.00 0.00 H new ATOM 0 HE3 LYS A 43 22.417 -15.994 10.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 22.279 -16.933 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 22.120 -18.159 9.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 20.750 -17.591 8.233 1.00 0.00 H new ATOM 727 N GLN A 44 17.795 -18.857 12.995 1.00 0.00 N ATOM 728 CA GLN A 44 17.090 -19.894 12.261 1.00 0.00 C ATOM 729 C GLN A 44 15.664 -20.046 12.795 1.00 0.00 C ATOM 730 O GLN A 44 15.405 -20.890 13.652 1.00 0.00 O ATOM 731 CB GLN A 44 17.845 -21.223 12.327 1.00 0.00 C ATOM 732 CG GLN A 44 18.524 -21.535 10.992 1.00 0.00 C ATOM 733 CD GLN A 44 19.792 -22.365 11.202 1.00 0.00 C ATOM 734 OE1 GLN A 44 20.663 -22.027 11.986 1.00 0.00 O ATOM 735 NE2 GLN A 44 19.846 -23.467 10.460 1.00 0.00 N ATOM 0 H GLN A 44 18.211 -19.164 13.874 1.00 0.00 H new ATOM 0 HA GLN A 44 17.035 -19.597 11.214 1.00 0.00 H new ATOM 0 HB2 GLN A 44 18.593 -21.181 13.119 1.00 0.00 H new ATOM 0 HB3 GLN A 44 17.154 -22.026 12.584 1.00 0.00 H new ATOM 0 HG2 GLN A 44 17.833 -22.077 10.347 1.00 0.00 H new ATOM 0 HG3 GLN A 44 18.774 -20.605 10.481 1.00 0.00 H new ATOM 0 HE21 GLN A 44 19.081 -23.691 9.823 1.00 0.00 H new ATOM 0 HE22 GLN A 44 20.652 -24.088 10.528 1.00 0.00 H new ATOM 744 N CYS A 45 14.777 -19.216 12.267 1.00 0.00 N ATOM 745 CA CYS A 45 13.384 -19.248 12.680 1.00 0.00 C ATOM 746 C CYS A 45 12.556 -18.497 11.635 1.00 0.00 C ATOM 747 O CYS A 45 12.071 -19.095 10.676 1.00 0.00 O ATOM 748 CB CYS A 45 13.196 -18.665 14.083 1.00 0.00 C ATOM 749 SG CYS A 45 12.852 -20.009 15.277 1.00 0.00 S ATOM 0 H CYS A 45 14.996 -18.517 11.557 1.00 0.00 H new ATOM 0 HA CYS A 45 13.043 -20.282 12.739 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.092 -18.121 14.383 1.00 0.00 H new ATOM 0 HB3 CYS A 45 12.374 -17.949 14.081 1.00 0.00 H new ATOM 0 HG CYS A 45 13.736 -20.952 15.136 1.00 0.00 H new ATOM 755 N ARG A 46 12.419 -17.198 11.857 1.00 0.00 N ATOM 756 CA ARG A 46 11.658 -16.359 10.947 1.00 0.00 C ATOM 757 C ARG A 46 12.519 -15.962 9.746 1.00 0.00 C ATOM 758 O ARG A 46 13.076 -14.866 9.712 1.00 0.00 O ATOM 759 CB ARG A 46 11.160 -15.095 11.649 1.00 0.00 C ATOM 760 CG ARG A 46 12.322 -14.320 12.273 1.00 0.00 C ATOM 761 CD ARG A 46 12.065 -14.048 13.757 1.00 0.00 C ATOM 762 NE ARG A 46 11.843 -15.323 14.474 1.00 0.00 N ATOM 763 CZ ARG A 46 10.634 -15.806 14.792 1.00 0.00 C ATOM 764 NH1 ARG A 46 9.531 -15.122 14.458 1.00 0.00 N ATOM 765 NH2 ARG A 46 10.528 -16.971 15.444 1.00 0.00 N ATOM 0 H ARG A 46 12.822 -16.706 12.654 1.00 0.00 H new ATOM 0 HA ARG A 46 10.797 -16.935 10.607 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.637 -14.460 10.934 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.441 -15.364 12.422 1.00 0.00 H new ATOM 0 HG2 ARG A 46 13.246 -14.887 12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.460 -13.376 11.745 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.914 -13.520 14.191 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.195 -13.401 13.871 1.00 0.00 H new ATOM 0 HE ARG A 46 12.662 -15.869 14.743 1.00 0.00 H new ATOM 0 HH11 ARG A 46 9.612 -14.234 13.962 1.00 0.00 H new ATOM 0 HH12 ARG A 46 8.611 -15.489 14.700 1.00 0.00 H new ATOM 0 HH21 ARG A 46 11.368 -17.491 15.699 1.00 0.00 H new ATOM 0 HH22 ARG A 46 9.608 -17.338 15.686 1.00 0.00 H new ATOM 779 N GLU A 47 12.600 -16.875 8.789 1.00 0.00 N ATOM 780 CA GLU A 47 13.384 -16.634 7.589 1.00 0.00 C ATOM 781 C GLU A 47 12.540 -15.906 6.541 1.00 0.00 C ATOM 782 O GLU A 47 12.968 -14.895 5.987 1.00 0.00 O ATOM 783 CB GLU A 47 13.945 -17.942 7.028 1.00 0.00 C ATOM 784 CG GLU A 47 14.303 -17.795 5.548 1.00 0.00 C ATOM 785 CD GLU A 47 15.479 -18.701 5.176 1.00 0.00 C ATOM 786 OE1 GLU A 47 16.338 -18.908 6.060 1.00 0.00 O ATOM 787 OE2 GLU A 47 15.492 -19.167 4.016 1.00 0.00 O ATOM 0 H GLU A 47 12.136 -17.783 8.820 1.00 0.00 H new ATOM 0 HA GLU A 47 14.229 -15.998 7.853 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.830 -18.234 7.593 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.211 -18.739 7.151 1.00 0.00 H new ATOM 0 HG2 GLU A 47 13.438 -18.046 4.934 1.00 0.00 H new ATOM 0 HG3 GLU A 47 14.557 -16.757 5.333 1.00 0.00 H new ATOM 794 N ARG A 48 11.355 -16.449 6.301 1.00 0.00 N ATOM 795 CA ARG A 48 10.447 -15.863 5.329 1.00 0.00 C ATOM 796 C ARG A 48 9.598 -14.773 5.986 1.00 0.00 C ATOM 797 O ARG A 48 8.388 -14.711 5.774 1.00 0.00 O ATOM 798 CB ARG A 48 9.524 -16.926 4.728 1.00 0.00 C ATOM 799 CG ARG A 48 8.676 -17.593 5.813 1.00 0.00 C ATOM 800 CD ARG A 48 7.463 -18.298 5.204 1.00 0.00 C ATOM 801 NE ARG A 48 7.538 -19.752 5.468 1.00 0.00 N ATOM 802 CZ ARG A 48 6.784 -20.669 4.845 1.00 0.00 C ATOM 803 NH1 ARG A 48 5.894 -20.287 3.919 1.00 0.00 N ATOM 804 NH2 ARG A 48 6.920 -21.967 5.149 1.00 0.00 N ATOM 0 H ARG A 48 11.003 -17.288 6.762 1.00 0.00 H new ATOM 0 HA ARG A 48 11.050 -15.428 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 48 8.873 -16.468 3.983 1.00 0.00 H new ATOM 0 HB3 ARG A 48 10.119 -17.680 4.212 1.00 0.00 H new ATOM 0 HG2 ARG A 48 9.282 -18.314 6.362 1.00 0.00 H new ATOM 0 HG3 ARG A 48 8.343 -16.844 6.531 1.00 0.00 H new ATOM 0 HD2 ARG A 48 6.545 -17.890 5.627 1.00 0.00 H new ATOM 0 HD3 ARG A 48 7.428 -18.116 4.130 1.00 0.00 H new ATOM 0 HE ARG A 48 8.205 -20.077 6.168 1.00 0.00 H new ATOM 0 HH11 ARG A 48 5.790 -19.299 3.688 1.00 0.00 H new ATOM 0 HH12 ARG A 48 5.320 -20.984 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 48 7.597 -22.257 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 48 6.346 -22.665 4.675 1.00 0.00 H new ATOM 818 N TRP A 49 10.266 -13.940 6.771 1.00 0.00 N ATOM 819 CA TRP A 49 9.588 -12.855 7.460 1.00 0.00 C ATOM 820 C TRP A 49 10.620 -11.767 7.760 1.00 0.00 C ATOM 821 O TRP A 49 10.374 -10.587 7.516 1.00 0.00 O ATOM 822 CB TRP A 49 8.873 -13.364 8.713 1.00 0.00 C ATOM 823 CG TRP A 49 7.886 -12.362 9.316 1.00 0.00 C ATOM 824 CD1 TRP A 49 6.808 -11.815 8.737 1.00 0.00 C ATOM 825 CD2 TRP A 49 7.929 -11.807 10.648 1.00 0.00 C ATOM 826 NE1 TRP A 49 6.157 -10.952 9.594 1.00 0.00 N ATOM 827 CE2 TRP A 49 6.860 -10.947 10.793 1.00 0.00 C ATOM 828 CE3 TRP A 49 8.842 -12.026 11.695 1.00 0.00 C ATOM 829 CZ2 TRP A 49 6.603 -10.236 11.971 1.00 0.00 C ATOM 830 CZ3 TRP A 49 8.571 -11.307 12.866 1.00 0.00 C ATOM 831 CH2 TRP A 49 7.499 -10.437 13.028 1.00 0.00 C ATOM 0 H TRP A 49 11.270 -13.995 6.945 1.00 0.00 H new ATOM 0 HA TRP A 49 8.806 -12.428 6.832 1.00 0.00 H new ATOM 0 HB2 TRP A 49 8.339 -14.282 8.467 1.00 0.00 H new ATOM 0 HB3 TRP A 49 9.619 -13.622 9.465 1.00 0.00 H new ATOM 0 HD1 TRP A 49 6.489 -12.024 7.726 1.00 0.00 H new ATOM 0 HE1 TRP A 49 5.314 -10.416 9.386 1.00 0.00 H new ATOM 0 HE3 TRP A 49 9.685 -12.695 11.603 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 5.759 -9.568 12.060 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 9.242 -11.438 13.702 1.00 0.00 H new ATOM 0 HH2 TRP A 49 7.358 -9.919 13.965 1.00 0.00 H new ATOM 842 N HIS A 50 11.756 -12.203 8.286 1.00 0.00 N ATOM 843 CA HIS A 50 12.827 -11.281 8.623 1.00 0.00 C ATOM 844 C HIS A 50 13.556 -10.853 7.347 1.00 0.00 C ATOM 845 O HIS A 50 14.260 -9.845 7.339 1.00 0.00 O ATOM 846 CB HIS A 50 13.765 -11.894 9.664 1.00 0.00 C ATOM 847 CG HIS A 50 14.072 -10.982 10.828 1.00 0.00 C ATOM 848 ND1 HIS A 50 13.537 -10.926 12.081 1.00 0.00 N flip ATOM 849 CD2 HIS A 50 15.030 -9.986 10.767 1.00 0.00 C flip ATOM 850 CE1 HIS A 50 14.136 -9.949 12.750 1.00 0.00 C flip ATOM 851 NE2 HIS A 50 15.062 -9.365 11.937 1.00 0.00 N flip ATOM 0 H HIS A 50 11.957 -13.183 8.487 1.00 0.00 H new ATOM 0 HA HIS A 50 12.409 -10.384 9.080 1.00 0.00 H new ATOM 0 HB2 HIS A 50 13.318 -12.813 10.044 1.00 0.00 H new ATOM 0 HB3 HIS A 50 14.700 -12.171 9.177 1.00 0.00 H new ATOM 0 HD1 HIS A 50 12.801 -11.532 12.443 1.00 0.00 H new ATOM 0 HD2 HIS A 50 15.647 -9.754 9.911 1.00 0.00 H new ATOM 0 HE1 HIS A 50 13.925 -9.664 13.770 1.00 0.00 H new ATOM 859 N ASN A 51 13.361 -11.642 6.300 1.00 0.00 N ATOM 860 CA ASN A 51 13.991 -11.357 5.022 1.00 0.00 C ATOM 861 C ASN A 51 12.915 -10.993 3.998 1.00 0.00 C ATOM 862 O ASN A 51 12.900 -11.528 2.890 1.00 0.00 O ATOM 863 CB ASN A 51 14.749 -12.579 4.498 1.00 0.00 C ATOM 864 CG ASN A 51 15.789 -13.056 5.513 1.00 0.00 C ATOM 865 OD1 ASN A 51 15.269 -13.479 6.662 1.00 0.00 O flip ATOM 866 ND2 ASN A 51 16.984 -13.042 5.269 1.00 0.00 N flip ATOM 0 H ASN A 51 12.776 -12.478 6.311 1.00 0.00 H new ATOM 0 HA ASN A 51 14.690 -10.533 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 51 14.046 -13.385 4.287 1.00 0.00 H new ATOM 0 HB3 ASN A 51 15.241 -12.331 3.558 1.00 0.00 H new ATOM 0 HD21 ASN A 51 17.316 -12.704 4.366 1.00 0.00 H new ATOM 0 HD22 ASN A 51 17.651 -13.368 5.968 1.00 0.00 H new ATOM 873 N HIS A 52 12.039 -10.085 4.404 1.00 0.00 N ATOM 874 CA HIS A 52 10.962 -9.643 3.536 1.00 0.00 C ATOM 875 C HIS A 52 11.017 -8.122 3.382 1.00 0.00 C ATOM 876 O HIS A 52 11.610 -7.612 2.433 1.00 0.00 O ATOM 877 CB HIS A 52 9.609 -10.138 4.053 1.00 0.00 C ATOM 878 CG HIS A 52 9.166 -11.451 3.454 1.00 0.00 C ATOM 879 ND1 HIS A 52 7.844 -11.729 3.153 1.00 0.00 N ATOM 880 CD2 HIS A 52 9.882 -12.558 3.104 1.00 0.00 C ATOM 881 CE1 HIS A 52 7.779 -12.951 2.645 1.00 0.00 C ATOM 882 NE2 HIS A 52 9.043 -13.463 2.616 1.00 0.00 N ATOM 0 H HIS A 52 12.054 -9.644 5.323 1.00 0.00 H new ATOM 0 HA HIS A 52 11.088 -10.078 2.545 1.00 0.00 H new ATOM 0 HB2 HIS A 52 9.662 -10.244 5.136 1.00 0.00 H new ATOM 0 HB3 HIS A 52 8.853 -9.381 3.844 1.00 0.00 H new ATOM 0 HD2 HIS A 52 10.950 -12.678 3.207 1.00 0.00 H new ATOM 0 HE1 HIS A 52 6.883 -13.453 2.312 1.00 0.00 H new ATOM 0 HE2 HIS A 52 9.301 -14.389 2.275 1.00 0.00 H new ATOM 890 N LEU A 53 10.392 -7.440 4.331 1.00 0.00 N ATOM 891 CA LEU A 53 10.363 -5.988 4.313 1.00 0.00 C ATOM 892 C LEU A 53 9.777 -5.510 2.982 1.00 0.00 C ATOM 893 O LEU A 53 8.564 -5.349 2.856 1.00 0.00 O ATOM 894 CB LEU A 53 11.752 -5.420 4.613 1.00 0.00 C ATOM 895 CG LEU A 53 11.953 -4.848 6.017 1.00 0.00 C ATOM 896 CD1 LEU A 53 13.441 -4.695 6.338 1.00 0.00 C ATOM 897 CD2 LEU A 53 11.192 -3.532 6.188 1.00 0.00 C ATOM 0 H LEU A 53 9.902 -7.867 5.117 1.00 0.00 H new ATOM 0 HA LEU A 53 9.713 -5.610 5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.487 -6.209 4.455 1.00 0.00 H new ATOM 0 HB3 LEU A 53 11.966 -4.635 3.888 1.00 0.00 H new ATOM 0 HG LEU A 53 11.539 -5.555 6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 53 13.557 -4.286 7.342 1.00 0.00 H new ATOM 0 HD12 LEU A 53 13.927 -5.669 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 53 13.901 -4.020 5.616 1.00 0.00 H new ATOM 0 HD21 LEU A 53 11.352 -3.147 7.195 1.00 0.00 H new ATOM 0 HD22 LEU A 53 11.553 -2.805 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 53 10.127 -3.704 6.031 1.00 0.00 H new ATOM 909 N ASN A 54 10.667 -5.297 2.024 1.00 0.00 N ATOM 910 CA ASN A 54 10.254 -4.840 0.707 1.00 0.00 C ATOM 911 C ASN A 54 9.538 -3.495 0.840 1.00 0.00 C ATOM 912 O ASN A 54 8.337 -3.399 0.593 1.00 0.00 O ATOM 913 CB ASN A 54 9.282 -5.830 0.061 1.00 0.00 C ATOM 914 CG ASN A 54 9.401 -5.799 -1.464 1.00 0.00 C ATOM 915 OD1 ASN A 54 9.622 -4.765 -2.074 1.00 0.00 O ATOM 916 ND2 ASN A 54 9.241 -6.985 -2.043 1.00 0.00 N ATOM 0 H ASN A 54 11.672 -5.432 2.133 1.00 0.00 H new ATOM 0 HA ASN A 54 11.145 -4.751 0.086 1.00 0.00 H new ATOM 0 HB2 ASN A 54 9.487 -6.837 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 54 8.261 -5.587 0.355 1.00 0.00 H new ATOM 0 HD21 ASN A 54 9.301 -7.069 -3.058 1.00 0.00 H new ATOM 0 HD22 ASN A 54 9.058 -7.811 -1.472 1.00 0.00 H new ATOM 923 N PRO A 55 10.327 -2.461 1.241 1.00 0.00 N ATOM 924 CA PRO A 55 9.781 -1.125 1.409 1.00 0.00 C ATOM 925 C PRO A 55 9.536 -0.458 0.054 1.00 0.00 C ATOM 926 O PRO A 55 9.389 -1.139 -0.959 1.00 0.00 O ATOM 927 CB PRO A 55 10.804 -0.387 2.258 1.00 0.00 C ATOM 928 CG PRO A 55 12.093 -1.184 2.144 1.00 0.00 C ATOM 929 CD PRO A 55 11.753 -2.538 1.543 1.00 0.00 C ATOM 0 HA PRO A 55 8.805 -1.127 1.895 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.943 0.634 1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 55 10.476 -0.321 3.295 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.813 -0.658 1.517 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.554 -1.306 3.124 1.00 0.00 H new ATOM 0 HD2 PRO A 55 12.338 -2.731 0.644 1.00 0.00 H new ATOM 0 HD3 PRO A 55 11.967 -3.347 2.242 1.00 0.00 H new ATOM 937 N GLU A 56 9.501 0.866 0.081 1.00 0.00 N ATOM 938 CA GLU A 56 9.276 1.633 -1.133 1.00 0.00 C ATOM 939 C GLU A 56 10.541 1.648 -1.993 1.00 0.00 C ATOM 940 O GLU A 56 11.561 2.208 -1.594 1.00 0.00 O ATOM 941 CB GLU A 56 8.819 3.056 -0.806 1.00 0.00 C ATOM 942 CG GLU A 56 7.325 3.230 -1.088 1.00 0.00 C ATOM 943 CD GLU A 56 6.659 4.086 -0.009 1.00 0.00 C ATOM 944 OE1 GLU A 56 6.922 3.804 1.180 1.00 0.00 O ATOM 945 OE2 GLU A 56 5.902 5.001 -0.397 1.00 0.00 O ATOM 0 H GLU A 56 9.625 1.427 0.924 1.00 0.00 H new ATOM 0 HA GLU A 56 8.479 1.152 -1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.023 3.276 0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 56 9.390 3.771 -1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.187 3.696 -2.063 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.843 2.253 -1.131 1.00 0.00 H new ATOM 952 N VAL A 57 10.434 1.025 -3.158 1.00 0.00 N ATOM 953 CA VAL A 57 11.557 0.960 -4.078 1.00 0.00 C ATOM 954 C VAL A 57 11.502 2.158 -5.029 1.00 0.00 C ATOM 955 O VAL A 57 12.118 2.138 -6.093 1.00 0.00 O ATOM 956 CB VAL A 57 11.557 -0.384 -4.809 1.00 0.00 C ATOM 957 CG1 VAL A 57 12.946 -0.706 -5.363 1.00 0.00 C ATOM 958 CG2 VAL A 57 11.058 -1.505 -3.895 1.00 0.00 C ATOM 0 H VAL A 57 9.587 0.561 -3.486 1.00 0.00 H new ATOM 0 HA VAL A 57 12.500 1.019 -3.535 1.00 0.00 H new ATOM 0 HB VAL A 57 10.870 -0.308 -5.651 1.00 0.00 H new ATOM 0 HG11 VAL A 57 12.919 -1.666 -5.878 1.00 0.00 H new ATOM 0 HG12 VAL A 57 13.248 0.073 -6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 57 13.663 -0.754 -4.543 1.00 0.00 H new ATOM 0 HG21 VAL A 57 11.068 -2.450 -4.439 1.00 0.00 H new ATOM 0 HG22 VAL A 57 11.709 -1.581 -3.024 1.00 0.00 H new ATOM 0 HG23 VAL A 57 10.041 -1.284 -3.570 1.00 0.00 H new ATOM 968 N LYS A 58 10.759 3.171 -4.610 1.00 0.00 N ATOM 969 CA LYS A 58 10.615 4.375 -5.411 1.00 0.00 C ATOM 970 C LYS A 58 9.748 4.068 -6.634 1.00 0.00 C ATOM 971 O LYS A 58 9.693 2.927 -7.090 1.00 0.00 O ATOM 972 CB LYS A 58 11.988 4.953 -5.760 1.00 0.00 C ATOM 973 CG LYS A 58 12.309 6.168 -4.888 1.00 0.00 C ATOM 974 CD LYS A 58 13.111 5.759 -3.651 1.00 0.00 C ATOM 975 CE LYS A 58 14.577 6.175 -3.785 1.00 0.00 C ATOM 976 NZ LYS A 58 15.460 5.183 -3.132 1.00 0.00 N ATOM 0 H LYS A 58 10.250 3.183 -3.726 1.00 0.00 H new ATOM 0 HA LYS A 58 10.102 5.152 -4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.754 4.190 -5.622 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.009 5.240 -6.811 1.00 0.00 H new ATOM 0 HG2 LYS A 58 12.875 6.897 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 58 11.383 6.654 -4.581 1.00 0.00 H new ATOM 0 HD2 LYS A 58 12.678 6.221 -2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 58 13.047 4.680 -3.512 1.00 0.00 H new ATOM 0 HE2 LYS A 58 14.840 6.267 -4.839 1.00 0.00 H new ATOM 0 HE3 LYS A 58 14.725 7.156 -3.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 16.451 5.481 -3.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 15.219 5.116 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 15.331 4.254 -3.581 1.00 0.00 H new ATOM 990 N LYS A 59 9.092 5.107 -7.130 1.00 0.00 N ATOM 991 CA LYS A 59 8.230 4.963 -8.291 1.00 0.00 C ATOM 992 C LYS A 59 9.082 4.608 -9.511 1.00 0.00 C ATOM 993 O LYS A 59 9.045 3.476 -9.990 1.00 0.00 O ATOM 994 CB LYS A 59 7.374 6.217 -8.482 1.00 0.00 C ATOM 995 CG LYS A 59 5.886 5.891 -8.342 1.00 0.00 C ATOM 996 CD LYS A 59 5.418 6.073 -6.897 1.00 0.00 C ATOM 997 CE LYS A 59 3.930 6.424 -6.842 1.00 0.00 C ATOM 998 NZ LYS A 59 3.567 6.936 -5.502 1.00 0.00 N ATOM 0 H LYS A 59 9.140 6.052 -6.749 1.00 0.00 H new ATOM 0 HA LYS A 59 7.526 4.144 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 59 7.656 6.970 -7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 59 7.565 6.646 -9.466 1.00 0.00 H new ATOM 0 HG2 LYS A 59 5.305 6.537 -9.000 1.00 0.00 H new ATOM 0 HG3 LYS A 59 5.703 4.865 -8.661 1.00 0.00 H new ATOM 0 HD2 LYS A 59 5.600 5.158 -6.334 1.00 0.00 H new ATOM 0 HD3 LYS A 59 5.999 6.862 -6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.699 7.174 -7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.333 5.542 -7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.554 7.169 -5.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.769 6.209 -4.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 4.123 7.790 -5.294 1.00 0.00 H new ATOM 1012 N SER A 60 9.828 5.597 -9.980 1.00 0.00 N ATOM 1013 CA SER A 60 10.687 5.404 -11.136 1.00 0.00 C ATOM 1014 C SER A 60 11.828 4.447 -10.785 1.00 0.00 C ATOM 1015 O SER A 60 12.990 4.850 -10.739 1.00 0.00 O ATOM 1016 CB SER A 60 11.248 6.737 -11.636 1.00 0.00 C ATOM 1017 OG SER A 60 10.721 7.092 -12.911 1.00 0.00 O ATOM 0 H SER A 60 9.855 6.535 -9.580 1.00 0.00 H new ATOM 0 HA SER A 60 10.089 4.970 -11.937 1.00 0.00 H new ATOM 0 HB2 SER A 60 11.015 7.522 -10.916 1.00 0.00 H new ATOM 0 HB3 SER A 60 12.334 6.673 -11.698 1.00 0.00 H new ATOM 0 HG SER A 60 11.102 7.949 -13.195 1.00 0.00 H new ATOM 1023 N SER A 61 11.458 3.197 -10.546 1.00 0.00 N ATOM 1024 CA SER A 61 12.436 2.180 -10.201 1.00 0.00 C ATOM 1025 C SER A 61 11.741 0.831 -10.004 1.00 0.00 C ATOM 1026 O SER A 61 10.616 0.636 -10.461 1.00 0.00 O ATOM 1027 CB SER A 61 13.212 2.566 -8.941 1.00 0.00 C ATOM 1028 OG SER A 61 12.877 3.876 -8.489 1.00 0.00 O ATOM 0 H SER A 61 10.494 2.866 -10.585 1.00 0.00 H new ATOM 0 HA SER A 61 13.148 2.098 -11.022 1.00 0.00 H new ATOM 0 HB2 SER A 61 13.002 1.845 -8.151 1.00 0.00 H new ATOM 0 HB3 SER A 61 14.282 2.515 -9.144 1.00 0.00 H new ATOM 0 HG SER A 61 13.373 4.540 -9.012 1.00 0.00 H new ATOM 1034 N TRP A 62 12.439 -0.065 -9.321 1.00 0.00 N ATOM 1035 CA TRP A 62 11.903 -1.389 -9.058 1.00 0.00 C ATOM 1036 C TRP A 62 10.660 -1.230 -8.180 1.00 0.00 C ATOM 1037 O TRP A 62 10.316 -0.118 -7.780 1.00 0.00 O ATOM 1038 CB TRP A 62 12.965 -2.296 -8.432 1.00 0.00 C ATOM 1039 CG TRP A 62 14.297 -2.305 -9.184 1.00 0.00 C ATOM 1040 CD1 TRP A 62 15.372 -1.535 -8.966 1.00 0.00 C ATOM 1041 CD2 TRP A 62 14.655 -3.160 -10.290 1.00 0.00 C ATOM 1042 NE1 TRP A 62 16.393 -1.830 -9.847 1.00 0.00 N ATOM 1043 CE2 TRP A 62 15.942 -2.850 -10.678 1.00 0.00 C ATOM 1044 CE3 TRP A 62 13.915 -4.163 -10.940 1.00 0.00 C ATOM 1045 CZ2 TRP A 62 16.602 -3.496 -11.730 1.00 0.00 C ATOM 1046 CZ3 TRP A 62 14.589 -4.799 -11.990 1.00 0.00 C ATOM 1047 CH2 TRP A 62 15.885 -4.498 -12.393 1.00 0.00 C ATOM 0 H TRP A 62 13.371 0.101 -8.942 1.00 0.00 H new ATOM 0 HA TRP A 62 11.613 -1.879 -9.987 1.00 0.00 H new ATOM 0 HB2 TRP A 62 13.141 -1.976 -7.405 1.00 0.00 H new ATOM 0 HB3 TRP A 62 12.578 -3.314 -8.387 1.00 0.00 H new ATOM 0 HD1 TRP A 62 15.432 -0.779 -8.197 1.00 0.00 H new ATOM 0 HE1 TRP A 62 17.309 -1.383 -9.882 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.907 -4.422 -10.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 17.611 -3.235 -12.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.065 -5.578 -12.524 1.00 0.00 H new ATOM 0 HH2 TRP A 62 16.336 -5.035 -13.214 1.00 0.00 H new ATOM 1058 N THR A 63 10.020 -2.357 -7.905 1.00 0.00 N ATOM 1059 CA THR A 63 8.823 -2.356 -7.082 1.00 0.00 C ATOM 1060 C THR A 63 8.804 -3.583 -6.167 1.00 0.00 C ATOM 1061 O THR A 63 9.853 -4.143 -5.853 1.00 0.00 O ATOM 1062 CB THR A 63 7.610 -2.273 -8.011 1.00 0.00 C ATOM 1063 OG1 THR A 63 7.428 -3.611 -8.465 1.00 0.00 O ATOM 1064 CG2 THR A 63 7.904 -1.483 -9.288 1.00 0.00 C ATOM 0 H THR A 63 10.308 -3.277 -8.238 1.00 0.00 H new ATOM 0 HA THR A 63 8.801 -1.493 -6.417 1.00 0.00 H new ATOM 0 HB THR A 63 6.778 -1.810 -7.481 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.478 -3.768 -8.646 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.011 -1.454 -9.912 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.197 -0.466 -9.027 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.714 -1.965 -9.836 1.00 0.00 H new ATOM 1072 N GLU A 64 7.600 -3.963 -5.765 1.00 0.00 N ATOM 1073 CA GLU A 64 7.431 -5.112 -4.893 1.00 0.00 C ATOM 1074 C GLU A 64 7.473 -6.407 -5.707 1.00 0.00 C ATOM 1075 O GLU A 64 8.516 -7.054 -5.798 1.00 0.00 O ATOM 1076 CB GLU A 64 6.130 -5.008 -4.095 1.00 0.00 C ATOM 1077 CG GLU A 64 6.341 -4.218 -2.802 1.00 0.00 C ATOM 1078 CD GLU A 64 5.766 -4.971 -1.600 1.00 0.00 C ATOM 1079 OE1 GLU A 64 4.847 -5.786 -1.827 1.00 0.00 O ATOM 1080 OE2 GLU A 64 6.259 -4.713 -0.480 1.00 0.00 O ATOM 0 H GLU A 64 6.732 -3.495 -6.027 1.00 0.00 H new ATOM 0 HA GLU A 64 8.256 -5.127 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.365 -4.522 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.763 -6.007 -3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.406 -4.041 -2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 64 5.864 -3.241 -2.886 1.00 0.00 H new ATOM 1087 N GLU A 65 6.327 -6.747 -6.277 1.00 0.00 N ATOM 1088 CA GLU A 65 6.219 -7.954 -7.080 1.00 0.00 C ATOM 1089 C GLU A 65 7.412 -8.065 -8.032 1.00 0.00 C ATOM 1090 O GLU A 65 7.782 -9.164 -8.444 1.00 0.00 O ATOM 1091 CB GLU A 65 4.898 -7.984 -7.850 1.00 0.00 C ATOM 1092 CG GLU A 65 4.439 -6.569 -8.208 1.00 0.00 C ATOM 1093 CD GLU A 65 3.898 -6.512 -9.638 1.00 0.00 C ATOM 1094 OE1 GLU A 65 2.696 -6.813 -9.802 1.00 0.00 O ATOM 1095 OE2 GLU A 65 4.698 -6.170 -10.534 1.00 0.00 O ATOM 0 H GLU A 65 5.465 -6.208 -6.199 1.00 0.00 H new ATOM 0 HA GLU A 65 6.231 -8.815 -6.411 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.017 -8.573 -8.760 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.134 -8.477 -7.249 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.666 -6.246 -7.510 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.273 -5.875 -8.103 1.00 0.00 H new ATOM 1102 N GLU A 66 7.980 -6.912 -8.355 1.00 0.00 N ATOM 1103 CA GLU A 66 9.123 -6.867 -9.251 1.00 0.00 C ATOM 1104 C GLU A 66 10.371 -7.405 -8.548 1.00 0.00 C ATOM 1105 O GLU A 66 11.123 -8.188 -9.125 1.00 0.00 O ATOM 1106 CB GLU A 66 9.355 -5.447 -9.771 1.00 0.00 C ATOM 1107 CG GLU A 66 8.346 -5.091 -10.865 1.00 0.00 C ATOM 1108 CD GLU A 66 8.986 -4.202 -11.933 1.00 0.00 C ATOM 1109 OE1 GLU A 66 10.211 -4.348 -12.134 1.00 0.00 O ATOM 1110 OE2 GLU A 66 8.236 -3.396 -12.525 1.00 0.00 O ATOM 0 H GLU A 66 7.670 -6.003 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 66 8.912 -7.504 -10.110 1.00 0.00 H new ATOM 0 HB2 GLU A 66 9.271 -4.737 -8.949 1.00 0.00 H new ATOM 0 HB3 GLU A 66 10.368 -5.361 -10.164 1.00 0.00 H new ATOM 0 HG2 GLU A 66 7.967 -6.003 -11.326 1.00 0.00 H new ATOM 0 HG3 GLU A 66 7.492 -4.578 -10.424 1.00 0.00 H new ATOM 1117 N ASP A 67 10.552 -6.962 -7.313 1.00 0.00 N ATOM 1118 CA ASP A 67 11.695 -7.389 -6.525 1.00 0.00 C ATOM 1119 C ASP A 67 11.650 -8.909 -6.350 1.00 0.00 C ATOM 1120 O ASP A 67 12.638 -9.596 -6.604 1.00 0.00 O ATOM 1121 CB ASP A 67 11.675 -6.752 -5.134 1.00 0.00 C ATOM 1122 CG ASP A 67 13.052 -6.479 -4.527 1.00 0.00 C ATOM 1123 OD1 ASP A 67 14.029 -6.496 -5.307 1.00 0.00 O ATOM 1124 OD2 ASP A 67 13.098 -6.261 -3.297 1.00 0.00 O ATOM 0 H ASP A 67 9.926 -6.311 -6.838 1.00 0.00 H new ATOM 0 HA ASP A 67 12.599 -7.081 -7.049 1.00 0.00 H new ATOM 0 HB2 ASP A 67 11.126 -5.812 -5.190 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.121 -7.405 -4.460 1.00 0.00 H new ATOM 1129 N ARG A 68 10.493 -9.388 -5.917 1.00 0.00 N ATOM 1130 CA ARG A 68 10.306 -10.813 -5.705 1.00 0.00 C ATOM 1131 C ARG A 68 10.660 -11.590 -6.975 1.00 0.00 C ATOM 1132 O ARG A 68 11.614 -12.365 -6.987 1.00 0.00 O ATOM 1133 CB ARG A 68 8.861 -11.126 -5.310 1.00 0.00 C ATOM 1134 CG ARG A 68 8.495 -10.449 -3.987 1.00 0.00 C ATOM 1135 CD ARG A 68 9.049 -11.236 -2.797 1.00 0.00 C ATOM 1136 NE ARG A 68 8.448 -12.587 -2.760 1.00 0.00 N ATOM 1137 CZ ARG A 68 8.731 -13.510 -1.830 1.00 0.00 C ATOM 1138 NH1 ARG A 68 9.609 -13.233 -0.857 1.00 0.00 N ATOM 1139 NH2 ARG A 68 8.137 -14.710 -1.875 1.00 0.00 N ATOM 0 H ARG A 68 9.676 -8.815 -5.707 1.00 0.00 H new ATOM 0 HA ARG A 68 10.967 -11.117 -4.893 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.184 -10.788 -6.095 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.731 -12.204 -5.219 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.891 -9.434 -3.972 1.00 0.00 H new ATOM 0 HG3 ARG A 68 7.411 -10.370 -3.902 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.133 -11.313 -2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.833 -10.707 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 68 7.776 -12.832 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 68 10.062 -12.320 -0.824 1.00 0.00 H new ATOM 0 HH12 ARG A 68 9.824 -13.935 -0.149 1.00 0.00 H new ATOM 0 HH21 ARG A 68 7.470 -14.921 -2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.352 -15.412 -1.167 1.00 0.00 H new ATOM 1153 N ILE A 69 9.871 -11.354 -8.013 1.00 0.00 N ATOM 1154 CA ILE A 69 10.089 -12.021 -9.285 1.00 0.00 C ATOM 1155 C ILE A 69 11.593 -12.171 -9.527 1.00 0.00 C ATOM 1156 O ILE A 69 12.054 -13.225 -9.960 1.00 0.00 O ATOM 1157 CB ILE A 69 9.356 -11.286 -10.409 1.00 0.00 C ATOM 1158 CG1 ILE A 69 7.841 -11.340 -10.203 1.00 0.00 C ATOM 1159 CG2 ILE A 69 9.768 -11.829 -11.779 1.00 0.00 C ATOM 1160 CD1 ILE A 69 7.137 -10.260 -11.027 1.00 0.00 C ATOM 0 H ILE A 69 9.080 -10.710 -7.999 1.00 0.00 H new ATOM 0 HA ILE A 69 9.667 -13.026 -9.265 1.00 0.00 H new ATOM 0 HB ILE A 69 9.648 -10.236 -10.378 1.00 0.00 H new ATOM 0 HG12 ILE A 69 7.466 -12.323 -10.489 1.00 0.00 H new ATOM 0 HG13 ILE A 69 7.609 -11.205 -9.147 1.00 0.00 H new ATOM 0 HG21 ILE A 69 9.233 -11.290 -12.560 1.00 0.00 H new ATOM 0 HG22 ILE A 69 10.841 -11.695 -11.916 1.00 0.00 H new ATOM 0 HG23 ILE A 69 9.524 -12.890 -11.838 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.061 -10.320 -10.862 1.00 0.00 H new ATOM 0 HD12 ILE A 69 7.496 -9.277 -10.722 1.00 0.00 H new ATOM 0 HD13 ILE A 69 7.351 -10.412 -12.085 1.00 0.00 H new ATOM 1172 N ILE A 70 12.316 -11.099 -9.235 1.00 0.00 N ATOM 1173 CA ILE A 70 13.758 -11.098 -9.415 1.00 0.00 C ATOM 1174 C ILE A 70 14.381 -12.168 -8.515 1.00 0.00 C ATOM 1175 O ILE A 70 14.871 -13.185 -9.002 1.00 0.00 O ATOM 1176 CB ILE A 70 14.325 -9.696 -9.186 1.00 0.00 C ATOM 1177 CG1 ILE A 70 13.549 -8.652 -9.992 1.00 0.00 C ATOM 1178 CG2 ILE A 70 15.824 -9.655 -9.489 1.00 0.00 C ATOM 1179 CD1 ILE A 70 14.403 -8.093 -11.132 1.00 0.00 C ATOM 0 H ILE A 70 11.930 -10.226 -8.875 1.00 0.00 H new ATOM 0 HA ILE A 70 14.014 -11.357 -10.442 1.00 0.00 H new ATOM 0 HB ILE A 70 14.202 -9.446 -8.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 12.643 -9.101 -10.398 1.00 0.00 H new ATOM 0 HG13 ILE A 70 13.236 -7.840 -9.336 1.00 0.00 H new ATOM 0 HG21 ILE A 70 16.202 -8.647 -9.318 1.00 0.00 H new ATOM 0 HG22 ILE A 70 16.346 -10.354 -8.836 1.00 0.00 H new ATOM 0 HG23 ILE A 70 15.993 -9.935 -10.529 1.00 0.00 H new ATOM 0 HD11 ILE A 70 13.828 -7.353 -11.689 1.00 0.00 H new ATOM 0 HD12 ILE A 70 15.296 -7.623 -10.721 1.00 0.00 H new ATOM 0 HD13 ILE A 70 14.694 -8.904 -11.800 1.00 0.00 H new ATOM 1191 N PHE A 71 14.341 -11.900 -7.218 1.00 0.00 N ATOM 1192 CA PHE A 71 14.896 -12.827 -6.246 1.00 0.00 C ATOM 1193 C PHE A 71 14.468 -14.264 -6.552 1.00 0.00 C ATOM 1194 O PHE A 71 15.167 -15.212 -6.197 1.00 0.00 O ATOM 1195 CB PHE A 71 14.343 -12.424 -4.878 1.00 0.00 C ATOM 1196 CG PHE A 71 14.276 -13.573 -3.870 1.00 0.00 C ATOM 1197 CD1 PHE A 71 13.318 -14.531 -3.993 1.00 0.00 C ATOM 1198 CD2 PHE A 71 15.175 -13.637 -2.851 1.00 0.00 C ATOM 1199 CE1 PHE A 71 13.256 -15.597 -3.058 1.00 0.00 C ATOM 1200 CE2 PHE A 71 15.113 -14.704 -1.916 1.00 0.00 C ATOM 1201 CZ PHE A 71 14.155 -15.662 -2.039 1.00 0.00 C ATOM 0 H PHE A 71 13.933 -11.055 -6.818 1.00 0.00 H new ATOM 0 HA PHE A 71 15.985 -12.787 -6.273 1.00 0.00 H new ATOM 0 HB2 PHE A 71 14.965 -11.629 -4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 71 13.343 -12.011 -5.009 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.605 -14.480 -4.802 1.00 0.00 H new ATOM 0 HD2 PHE A 71 15.936 -12.877 -2.753 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.495 -16.357 -3.156 1.00 0.00 H new ATOM 0 HE2 PHE A 71 15.827 -14.755 -1.107 1.00 0.00 H new ATOM 0 HZ PHE A 71 14.108 -16.474 -1.328 1.00 0.00 H new ATOM 1211 N GLU A 72 13.323 -14.379 -7.209 1.00 0.00 N ATOM 1212 CA GLU A 72 12.794 -15.685 -7.567 1.00 0.00 C ATOM 1213 C GLU A 72 13.517 -16.230 -8.800 1.00 0.00 C ATOM 1214 O GLU A 72 14.334 -17.143 -8.692 1.00 0.00 O ATOM 1215 CB GLU A 72 11.284 -15.619 -7.801 1.00 0.00 C ATOM 1216 CG GLU A 72 10.517 -15.836 -6.495 1.00 0.00 C ATOM 1217 CD GLU A 72 9.190 -16.554 -6.751 1.00 0.00 C ATOM 1218 OE1 GLU A 72 8.553 -16.222 -7.773 1.00 0.00 O ATOM 1219 OE2 GLU A 72 8.844 -17.420 -5.918 1.00 0.00 O ATOM 0 H GLU A 72 12.747 -13.590 -7.503 1.00 0.00 H new ATOM 0 HA GLU A 72 12.970 -16.368 -6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 72 11.020 -14.650 -8.225 1.00 0.00 H new ATOM 0 HB3 GLU A 72 10.992 -16.376 -8.529 1.00 0.00 H new ATOM 0 HG2 GLU A 72 11.125 -16.422 -5.805 1.00 0.00 H new ATOM 0 HG3 GLU A 72 10.328 -14.875 -6.016 1.00 0.00 H new ATOM 1226 N ALA A 73 13.190 -15.646 -9.944 1.00 0.00 N ATOM 1227 CA ALA A 73 13.798 -16.062 -11.196 1.00 0.00 C ATOM 1228 C ALA A 73 15.304 -16.238 -10.994 1.00 0.00 C ATOM 1229 O ALA A 73 15.946 -17.003 -11.713 1.00 0.00 O ATOM 1230 CB ALA A 73 13.472 -15.040 -12.287 1.00 0.00 C ATOM 0 H ALA A 73 12.512 -14.889 -10.030 1.00 0.00 H new ATOM 0 HA ALA A 73 13.394 -17.022 -11.517 1.00 0.00 H new ATOM 0 HB1 ALA A 73 13.928 -15.352 -13.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 12.391 -14.974 -12.413 1.00 0.00 H new ATOM 0 HB3 ALA A 73 13.864 -14.064 -12.000 1.00 0.00 H new ATOM 1236 N HIS A 74 15.825 -15.517 -10.012 1.00 0.00 N ATOM 1237 CA HIS A 74 17.244 -15.583 -9.706 1.00 0.00 C ATOM 1238 C HIS A 74 17.587 -16.972 -9.162 1.00 0.00 C ATOM 1239 O HIS A 74 18.571 -17.580 -9.579 1.00 0.00 O ATOM 1240 CB HIS A 74 17.647 -14.457 -8.752 1.00 0.00 C ATOM 1241 CG HIS A 74 19.140 -14.278 -8.610 1.00 0.00 C ATOM 1242 ND1 HIS A 74 19.834 -14.648 -7.471 1.00 0.00 N ATOM 1243 CD2 HIS A 74 20.063 -13.766 -9.474 1.00 0.00 C ATOM 1244 CE1 HIS A 74 21.116 -14.366 -7.653 1.00 0.00 C ATOM 1245 NE2 HIS A 74 21.256 -13.819 -8.894 1.00 0.00 N ATOM 0 H HIS A 74 15.290 -14.884 -9.418 1.00 0.00 H new ATOM 0 HA HIS A 74 17.824 -15.434 -10.617 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.211 -13.522 -9.105 1.00 0.00 H new ATOM 0 HB3 HIS A 74 17.220 -14.657 -7.769 1.00 0.00 H new ATOM 0 HD2 HIS A 74 19.858 -13.382 -10.463 1.00 0.00 H new ATOM 0 HE1 HIS A 74 21.911 -14.539 -6.943 1.00 0.00 H new ATOM 0 HE2 HIS A 74 22.133 -13.503 -9.308 1.00 0.00 H new ATOM 1253 N LYS A 75 16.756 -17.432 -8.238 1.00 0.00 N ATOM 1254 CA LYS A 75 16.959 -18.737 -7.633 1.00 0.00 C ATOM 1255 C LYS A 75 16.381 -19.816 -8.551 1.00 0.00 C ATOM 1256 O LYS A 75 16.343 -20.991 -8.188 1.00 0.00 O ATOM 1257 CB LYS A 75 16.385 -18.765 -6.215 1.00 0.00 C ATOM 1258 CG LYS A 75 14.891 -18.434 -6.221 1.00 0.00 C ATOM 1259 CD LYS A 75 14.214 -18.926 -4.940 1.00 0.00 C ATOM 1260 CE LYS A 75 12.693 -18.809 -5.044 1.00 0.00 C ATOM 1261 NZ LYS A 75 12.036 -19.679 -4.043 1.00 0.00 N ATOM 0 H LYS A 75 15.941 -16.924 -7.894 1.00 0.00 H new ATOM 0 HA LYS A 75 18.024 -18.945 -7.526 1.00 0.00 H new ATOM 0 HB2 LYS A 75 16.541 -19.750 -5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 75 16.917 -18.049 -5.589 1.00 0.00 H new ATOM 0 HG2 LYS A 75 14.754 -17.357 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.416 -18.895 -7.087 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.491 -19.964 -4.754 1.00 0.00 H new ATOM 0 HD3 LYS A 75 14.570 -18.344 -4.090 1.00 0.00 H new ATOM 0 HE2 LYS A 75 12.391 -17.773 -4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 75 12.369 -19.089 -6.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 11.004 -19.587 -4.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.310 -20.668 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 12.332 -19.394 -3.088 1.00 0.00 H new ATOM 1275 N VAL A 76 15.946 -19.379 -9.724 1.00 0.00 N ATOM 1276 CA VAL A 76 15.372 -20.293 -10.697 1.00 0.00 C ATOM 1277 C VAL A 76 16.273 -20.346 -11.933 1.00 0.00 C ATOM 1278 O VAL A 76 16.129 -21.233 -12.773 1.00 0.00 O ATOM 1279 CB VAL A 76 13.936 -19.878 -11.021 1.00 0.00 C ATOM 1280 CG1 VAL A 76 13.145 -21.050 -11.605 1.00 0.00 C ATOM 1281 CG2 VAL A 76 13.238 -19.307 -9.785 1.00 0.00 C ATOM 0 H VAL A 76 15.980 -18.404 -10.022 1.00 0.00 H new ATOM 0 HA VAL A 76 15.320 -21.302 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 76 13.977 -19.092 -11.775 1.00 0.00 H new ATOM 0 HG11 VAL A 76 12.128 -20.728 -11.826 1.00 0.00 H new ATOM 0 HG12 VAL A 76 13.625 -21.392 -12.522 1.00 0.00 H new ATOM 0 HG13 VAL A 76 13.118 -21.866 -10.883 1.00 0.00 H new ATOM 0 HG21 VAL A 76 12.219 -19.020 -10.043 1.00 0.00 H new ATOM 0 HG22 VAL A 76 13.214 -20.062 -8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 76 13.783 -18.432 -9.431 1.00 0.00 H new ATOM 1291 N LEU A 77 17.182 -19.384 -12.005 1.00 0.00 N ATOM 1292 CA LEU A 77 18.105 -19.311 -13.124 1.00 0.00 C ATOM 1293 C LEU A 77 19.537 -19.219 -12.593 1.00 0.00 C ATOM 1294 O LEU A 77 20.418 -19.951 -13.042 1.00 0.00 O ATOM 1295 CB LEU A 77 17.722 -18.163 -14.061 1.00 0.00 C ATOM 1296 CG LEU A 77 16.227 -17.995 -14.338 1.00 0.00 C ATOM 1297 CD1 LEU A 77 15.877 -16.526 -14.588 1.00 0.00 C ATOM 1298 CD2 LEU A 77 15.779 -18.895 -15.492 1.00 0.00 C ATOM 0 H LEU A 77 17.298 -18.650 -11.307 1.00 0.00 H new ATOM 0 HA LEU A 77 18.045 -20.217 -13.727 1.00 0.00 H new ATOM 0 HB2 LEU A 77 18.100 -17.233 -13.637 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.233 -18.310 -15.012 1.00 0.00 H new ATOM 0 HG LEU A 77 15.678 -18.310 -13.451 1.00 0.00 H new ATOM 0 HD11 LEU A 77 14.808 -16.435 -14.782 1.00 0.00 H new ATOM 0 HD12 LEU A 77 16.138 -15.935 -13.710 1.00 0.00 H new ATOM 0 HD13 LEU A 77 16.435 -16.161 -15.450 1.00 0.00 H new ATOM 0 HD21 LEU A 77 14.712 -18.756 -15.669 1.00 0.00 H new ATOM 0 HD22 LEU A 77 16.333 -18.634 -16.394 1.00 0.00 H new ATOM 0 HD23 LEU A 77 15.972 -19.937 -15.237 1.00 0.00 H new ATOM 1310 N GLY A 78 19.725 -18.313 -11.645 1.00 0.00 N ATOM 1311 CA GLY A 78 21.035 -18.116 -11.047 1.00 0.00 C ATOM 1312 C GLY A 78 21.767 -16.945 -11.705 1.00 0.00 C ATOM 1313 O GLY A 78 22.414 -17.113 -12.738 1.00 0.00 O ATOM 0 H GLY A 78 18.992 -17.707 -11.276 1.00 0.00 H new ATOM 0 HA2 GLY A 78 20.927 -17.928 -9.979 1.00 0.00 H new ATOM 0 HA3 GLY A 78 21.627 -19.025 -11.152 1.00 0.00 H new ATOM 1317 N ASN A 79 21.640 -15.783 -11.081 1.00 0.00 N ATOM 1318 CA ASN A 79 22.282 -14.584 -11.592 1.00 0.00 C ATOM 1319 C ASN A 79 22.081 -14.510 -13.107 1.00 0.00 C ATOM 1320 O ASN A 79 22.842 -13.843 -13.806 1.00 0.00 O ATOM 1321 CB ASN A 79 23.786 -14.603 -11.316 1.00 0.00 C ATOM 1322 CG ASN A 79 24.242 -15.990 -10.856 1.00 0.00 C ATOM 1323 OD1 ASN A 79 23.857 -16.482 -9.808 1.00 0.00 O ATOM 1324 ND2 ASN A 79 25.080 -16.590 -11.696 1.00 0.00 N ATOM 0 H ASN A 79 21.102 -15.646 -10.226 1.00 0.00 H new ATOM 0 HA ASN A 79 21.835 -13.724 -11.093 1.00 0.00 H new ATOM 0 HB2 ASN A 79 24.328 -14.318 -12.218 1.00 0.00 H new ATOM 0 HB3 ASN A 79 24.028 -13.865 -10.552 1.00 0.00 H new ATOM 0 HD21 ASN A 79 25.441 -17.519 -11.479 1.00 0.00 H new ATOM 0 HD22 ASN A 79 25.362 -16.121 -12.557 1.00 0.00 H new ATOM 1331 N ARG A 80 21.052 -15.205 -13.570 1.00 0.00 N ATOM 1332 CA ARG A 80 20.741 -15.227 -14.989 1.00 0.00 C ATOM 1333 C ARG A 80 20.068 -13.917 -15.405 1.00 0.00 C ATOM 1334 O ARG A 80 19.022 -13.931 -16.053 1.00 0.00 O ATOM 1335 CB ARG A 80 19.818 -16.398 -15.333 1.00 0.00 C ATOM 1336 CG ARG A 80 20.323 -17.151 -16.566 1.00 0.00 C ATOM 1337 CD ARG A 80 19.158 -17.605 -17.446 1.00 0.00 C ATOM 1338 NE ARG A 80 19.413 -18.970 -17.959 1.00 0.00 N ATOM 1339 CZ ARG A 80 20.185 -19.241 -19.020 1.00 0.00 C ATOM 1340 NH1 ARG A 80 20.782 -18.244 -19.688 1.00 0.00 N ATOM 1341 NH2 ARG A 80 20.360 -20.510 -19.414 1.00 0.00 N ATOM 0 H ARG A 80 20.423 -15.757 -12.987 1.00 0.00 H new ATOM 0 HA ARG A 80 21.679 -15.347 -15.532 1.00 0.00 H new ATOM 0 HB2 ARG A 80 19.759 -17.080 -14.485 1.00 0.00 H new ATOM 0 HB3 ARG A 80 18.809 -16.029 -15.516 1.00 0.00 H new ATOM 0 HG2 ARG A 80 20.989 -16.508 -17.141 1.00 0.00 H new ATOM 0 HG3 ARG A 80 20.907 -18.017 -16.254 1.00 0.00 H new ATOM 0 HD2 ARG A 80 18.231 -17.590 -16.873 1.00 0.00 H new ATOM 0 HD3 ARG A 80 19.029 -16.913 -18.278 1.00 0.00 H new ATOM 0 HE ARG A 80 18.974 -19.753 -17.475 1.00 0.00 H new ATOM 0 HH11 ARG A 80 20.649 -17.278 -19.389 1.00 0.00 H new ATOM 0 HH12 ARG A 80 21.370 -18.451 -20.496 1.00 0.00 H new ATOM 0 HH21 ARG A 80 19.906 -21.269 -18.906 1.00 0.00 H new ATOM 0 HH22 ARG A 80 20.948 -20.717 -20.222 1.00 0.00 H new ATOM 1355 N TRP A 81 20.696 -12.817 -15.016 1.00 0.00 N ATOM 1356 CA TRP A 81 20.171 -11.502 -15.341 1.00 0.00 C ATOM 1357 C TRP A 81 19.764 -11.506 -16.816 1.00 0.00 C ATOM 1358 O TRP A 81 18.792 -10.855 -17.197 1.00 0.00 O ATOM 1359 CB TRP A 81 21.186 -10.408 -15.004 1.00 0.00 C ATOM 1360 CG TRP A 81 22.036 -10.707 -13.767 1.00 0.00 C ATOM 1361 CD1 TRP A 81 23.366 -10.857 -13.697 1.00 0.00 C ATOM 1362 CD2 TRP A 81 21.557 -10.889 -12.418 1.00 0.00 C ATOM 1363 NE1 TRP A 81 23.777 -11.120 -12.406 1.00 0.00 N ATOM 1364 CE2 TRP A 81 22.642 -11.140 -11.604 1.00 0.00 C ATOM 1365 CE3 TRP A 81 20.250 -10.842 -11.903 1.00 0.00 C ATOM 1366 CZ2 TRP A 81 22.532 -11.364 -10.226 1.00 0.00 C ATOM 1367 CZ3 TRP A 81 20.156 -11.068 -10.524 1.00 0.00 C ATOM 1368 CH2 TRP A 81 21.239 -11.322 -9.691 1.00 0.00 C ATOM 0 H TRP A 81 21.563 -12.810 -14.479 1.00 0.00 H new ATOM 0 HA TRP A 81 19.291 -11.278 -14.738 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.846 -10.263 -15.859 1.00 0.00 H new ATOM 0 HB3 TRP A 81 20.655 -9.469 -14.849 1.00 0.00 H new ATOM 0 HD1 TRP A 81 24.032 -10.782 -14.544 1.00 0.00 H new ATOM 0 HE1 TRP A 81 24.737 -11.272 -12.097 1.00 0.00 H new ATOM 0 HE3 TRP A 81 19.387 -10.647 -12.522 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 23.397 -11.559 -9.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 19.173 -11.043 -10.077 1.00 0.00 H new ATOM 0 HH2 TRP A 81 21.084 -11.486 -8.635 1.00 0.00 H new ATOM 1379 N ALA A 82 20.529 -12.246 -17.606 1.00 0.00 N ATOM 1380 CA ALA A 82 20.260 -12.343 -19.030 1.00 0.00 C ATOM 1381 C ALA A 82 18.815 -12.801 -19.242 1.00 0.00 C ATOM 1382 O ALA A 82 18.229 -12.549 -20.294 1.00 0.00 O ATOM 1383 CB ALA A 82 21.273 -13.290 -19.677 1.00 0.00 C ATOM 0 H ALA A 82 21.335 -12.784 -17.286 1.00 0.00 H new ATOM 0 HA ALA A 82 20.371 -11.370 -19.509 1.00 0.00 H new ATOM 0 HB1 ALA A 82 21.072 -13.363 -20.746 1.00 0.00 H new ATOM 0 HB2 ALA A 82 22.281 -12.905 -19.523 1.00 0.00 H new ATOM 0 HB3 ALA A 82 21.189 -14.278 -19.223 1.00 0.00 H new ATOM 1389 N GLU A 83 18.284 -13.465 -18.227 1.00 0.00 N ATOM 1390 CA GLU A 83 16.919 -13.960 -18.289 1.00 0.00 C ATOM 1391 C GLU A 83 16.054 -13.267 -17.234 1.00 0.00 C ATOM 1392 O GLU A 83 14.943 -12.829 -17.528 1.00 0.00 O ATOM 1393 CB GLU A 83 16.879 -15.480 -18.118 1.00 0.00 C ATOM 1394 CG GLU A 83 17.097 -16.189 -19.456 1.00 0.00 C ATOM 1395 CD GLU A 83 15.854 -16.083 -20.342 1.00 0.00 C ATOM 1396 OE1 GLU A 83 14.935 -15.335 -19.943 1.00 0.00 O ATOM 1397 OE2 GLU A 83 15.850 -16.753 -21.397 1.00 0.00 O ATOM 0 H GLU A 83 18.774 -13.672 -17.357 1.00 0.00 H new ATOM 0 HA GLU A 83 16.513 -13.727 -19.273 1.00 0.00 H new ATOM 0 HB2 GLU A 83 17.647 -15.790 -17.409 1.00 0.00 H new ATOM 0 HB3 GLU A 83 15.918 -15.777 -17.697 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.952 -15.750 -19.969 1.00 0.00 H new ATOM 0 HG3 GLU A 83 17.335 -17.238 -19.281 1.00 0.00 H new ATOM 1404 N ILE A 84 16.597 -13.189 -16.028 1.00 0.00 N ATOM 1405 CA ILE A 84 15.889 -12.556 -14.928 1.00 0.00 C ATOM 1406 C ILE A 84 15.225 -11.271 -15.427 1.00 0.00 C ATOM 1407 O ILE A 84 14.147 -10.904 -14.961 1.00 0.00 O ATOM 1408 CB ILE A 84 16.828 -12.342 -13.740 1.00 0.00 C ATOM 1409 CG1 ILE A 84 16.805 -13.547 -12.798 1.00 0.00 C ATOM 1410 CG2 ILE A 84 16.499 -11.038 -13.010 1.00 0.00 C ATOM 1411 CD1 ILE A 84 17.835 -14.595 -13.223 1.00 0.00 C ATOM 0 H ILE A 84 17.519 -13.554 -15.788 1.00 0.00 H new ATOM 0 HA ILE A 84 15.093 -13.205 -14.563 1.00 0.00 H new ATOM 0 HB ILE A 84 17.845 -12.251 -14.121 1.00 0.00 H new ATOM 0 HG12 ILE A 84 17.012 -13.220 -11.779 1.00 0.00 H new ATOM 0 HG13 ILE A 84 15.810 -13.991 -12.794 1.00 0.00 H new ATOM 0 HG21 ILE A 84 17.181 -10.910 -12.169 1.00 0.00 H new ATOM 0 HG22 ILE A 84 16.608 -10.199 -13.697 1.00 0.00 H new ATOM 0 HG23 ILE A 84 15.473 -11.075 -12.643 1.00 0.00 H new ATOM 0 HD11 ILE A 84 17.798 -15.441 -12.537 1.00 0.00 H new ATOM 0 HD12 ILE A 84 17.610 -14.937 -14.233 1.00 0.00 H new ATOM 0 HD13 ILE A 84 18.832 -14.155 -13.202 1.00 0.00 H new ATOM 1423 N ALA A 85 15.896 -10.623 -16.368 1.00 0.00 N ATOM 1424 CA ALA A 85 15.384 -9.387 -16.935 1.00 0.00 C ATOM 1425 C ALA A 85 14.310 -9.714 -17.975 1.00 0.00 C ATOM 1426 O ALA A 85 13.258 -9.078 -18.007 1.00 0.00 O ATOM 1427 CB ALA A 85 16.541 -8.579 -17.527 1.00 0.00 C ATOM 0 H ALA A 85 16.790 -10.931 -16.752 1.00 0.00 H new ATOM 0 HA ALA A 85 14.919 -8.774 -16.162 1.00 0.00 H new ATOM 0 HB1 ALA A 85 16.157 -7.652 -17.952 1.00 0.00 H new ATOM 0 HB2 ALA A 85 17.262 -8.347 -16.743 1.00 0.00 H new ATOM 0 HB3 ALA A 85 17.029 -9.162 -18.308 1.00 0.00 H new ATOM 1433 N LYS A 86 14.612 -10.707 -18.799 1.00 0.00 N ATOM 1434 CA LYS A 86 13.686 -11.126 -19.837 1.00 0.00 C ATOM 1435 C LYS A 86 12.307 -11.365 -19.218 1.00 0.00 C ATOM 1436 O LYS A 86 11.292 -11.289 -19.908 1.00 0.00 O ATOM 1437 CB LYS A 86 14.239 -12.336 -20.592 1.00 0.00 C ATOM 1438 CG LYS A 86 15.124 -11.896 -21.761 1.00 0.00 C ATOM 1439 CD LYS A 86 15.696 -13.106 -22.501 1.00 0.00 C ATOM 1440 CE LYS A 86 14.629 -13.770 -23.374 1.00 0.00 C ATOM 1441 NZ LYS A 86 14.849 -15.232 -23.441 1.00 0.00 N ATOM 0 H LYS A 86 15.485 -11.233 -18.769 1.00 0.00 H new ATOM 0 HA LYS A 86 13.569 -10.340 -20.583 1.00 0.00 H new ATOM 0 HB2 LYS A 86 14.815 -12.962 -19.911 1.00 0.00 H new ATOM 0 HB3 LYS A 86 13.415 -12.945 -20.964 1.00 0.00 H new ATOM 0 HG2 LYS A 86 14.543 -11.284 -22.451 1.00 0.00 H new ATOM 0 HG3 LYS A 86 15.938 -11.273 -21.391 1.00 0.00 H new ATOM 0 HD2 LYS A 86 16.536 -12.793 -23.122 1.00 0.00 H new ATOM 0 HD3 LYS A 86 16.083 -13.827 -21.781 1.00 0.00 H new ATOM 0 HE2 LYS A 86 13.639 -13.564 -22.968 1.00 0.00 H new ATOM 0 HE3 LYS A 86 14.657 -13.346 -24.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 13.934 -15.723 -23.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 15.325 -15.471 -24.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 15.443 -15.531 -22.641 1.00 0.00 H new ATOM 1455 N LEU A 87 12.316 -11.648 -17.924 1.00 0.00 N ATOM 1456 CA LEU A 87 11.079 -11.899 -17.204 1.00 0.00 C ATOM 1457 C LEU A 87 10.346 -10.575 -16.982 1.00 0.00 C ATOM 1458 O LEU A 87 9.118 -10.527 -17.023 1.00 0.00 O ATOM 1459 CB LEU A 87 11.357 -12.672 -15.913 1.00 0.00 C ATOM 1460 CG LEU A 87 11.280 -14.196 -16.014 1.00 0.00 C ATOM 1461 CD1 LEU A 87 12.661 -14.829 -15.836 1.00 0.00 C ATOM 1462 CD2 LEU A 87 10.260 -14.760 -15.022 1.00 0.00 C ATOM 0 H LEU A 87 13.160 -11.709 -17.355 1.00 0.00 H new ATOM 0 HA LEU A 87 10.418 -12.535 -17.793 1.00 0.00 H new ATOM 0 HB2 LEU A 87 12.351 -12.401 -15.558 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.647 -12.342 -15.155 1.00 0.00 H new ATOM 0 HG LEU A 87 10.934 -14.454 -17.015 1.00 0.00 H new ATOM 0 HD11 LEU A 87 12.577 -15.913 -15.912 1.00 0.00 H new ATOM 0 HD12 LEU A 87 13.332 -14.462 -16.612 1.00 0.00 H new ATOM 0 HD13 LEU A 87 13.059 -14.564 -14.857 1.00 0.00 H new ATOM 0 HD21 LEU A 87 10.225 -15.846 -15.114 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.553 -14.491 -14.007 1.00 0.00 H new ATOM 0 HD23 LEU A 87 9.275 -14.345 -15.237 1.00 0.00 H new ATOM 1474 N LEU A 88 11.131 -9.532 -16.752 1.00 0.00 N ATOM 1475 CA LEU A 88 10.571 -8.210 -16.524 1.00 0.00 C ATOM 1476 C LEU A 88 10.830 -7.333 -17.750 1.00 0.00 C ATOM 1477 O LEU A 88 11.979 -7.028 -18.069 1.00 0.00 O ATOM 1478 CB LEU A 88 11.110 -7.619 -15.220 1.00 0.00 C ATOM 1479 CG LEU A 88 10.621 -8.282 -13.930 1.00 0.00 C ATOM 1480 CD1 LEU A 88 11.435 -9.540 -13.619 1.00 0.00 C ATOM 1481 CD2 LEU A 88 10.631 -7.290 -12.766 1.00 0.00 C ATOM 0 H LEU A 88 12.150 -9.576 -16.719 1.00 0.00 H new ATOM 0 HA LEU A 88 9.490 -8.270 -16.398 1.00 0.00 H new ATOM 0 HB2 LEU A 88 12.198 -7.673 -15.243 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.844 -6.563 -15.186 1.00 0.00 H new ATOM 0 HG LEU A 88 9.587 -8.595 -14.076 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.068 -9.992 -12.698 1.00 0.00 H new ATOM 0 HD12 LEU A 88 11.333 -10.251 -14.438 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.485 -9.273 -13.499 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.279 -7.787 -11.862 1.00 0.00 H new ATOM 0 HD22 LEU A 88 11.646 -6.925 -12.608 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.975 -6.451 -12.998 1.00 0.00 H new ATOM 1493 N PRO A 89 9.715 -6.941 -18.422 1.00 0.00 N ATOM 1494 CA PRO A 89 9.810 -6.105 -19.607 1.00 0.00 C ATOM 1495 C PRO A 89 10.134 -4.657 -19.231 1.00 0.00 C ATOM 1496 O PRO A 89 9.372 -4.013 -18.513 1.00 0.00 O ATOM 1497 CB PRO A 89 8.466 -6.251 -20.301 1.00 0.00 C ATOM 1498 CG PRO A 89 7.510 -6.789 -19.249 1.00 0.00 C ATOM 1499 CD PRO A 89 8.339 -7.283 -18.074 1.00 0.00 C ATOM 0 HA PRO A 89 10.620 -6.407 -20.271 1.00 0.00 H new ATOM 0 HB2 PRO A 89 8.121 -5.293 -20.689 1.00 0.00 H new ATOM 0 HB3 PRO A 89 8.536 -6.932 -21.149 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.819 -6.010 -18.928 1.00 0.00 H new ATOM 0 HG3 PRO A 89 6.908 -7.600 -19.659 1.00 0.00 H new ATOM 0 HD2 PRO A 89 8.034 -6.802 -17.144 1.00 0.00 H new ATOM 0 HD3 PRO A 89 8.222 -8.357 -17.931 1.00 0.00 H new ATOM 1507 N GLY A 90 11.267 -4.188 -19.734 1.00 0.00 N ATOM 1508 CA GLY A 90 11.701 -2.829 -19.461 1.00 0.00 C ATOM 1509 C GLY A 90 12.980 -2.821 -18.622 1.00 0.00 C ATOM 1510 O GLY A 90 13.482 -1.758 -18.259 1.00 0.00 O ATOM 0 H GLY A 90 11.897 -4.726 -20.329 1.00 0.00 H new ATOM 0 HA2 GLY A 90 11.874 -2.303 -20.400 1.00 0.00 H new ATOM 0 HA3 GLY A 90 10.913 -2.290 -18.935 1.00 0.00 H new ATOM 1514 N ARG A 91 13.471 -4.018 -18.338 1.00 0.00 N ATOM 1515 CA ARG A 91 14.683 -4.162 -17.548 1.00 0.00 C ATOM 1516 C ARG A 91 15.635 -5.157 -18.214 1.00 0.00 C ATOM 1517 O ARG A 91 15.254 -6.290 -18.502 1.00 0.00 O ATOM 1518 CB ARG A 91 14.362 -4.644 -16.131 1.00 0.00 C ATOM 1519 CG ARG A 91 13.709 -3.532 -15.308 1.00 0.00 C ATOM 1520 CD ARG A 91 14.552 -2.255 -15.346 1.00 0.00 C ATOM 1521 NE ARG A 91 14.404 -1.513 -14.074 1.00 0.00 N ATOM 1522 CZ ARG A 91 14.968 -0.323 -13.828 1.00 0.00 C ATOM 1523 NH1 ARG A 91 15.721 0.268 -14.766 1.00 0.00 N ATOM 1524 NH2 ARG A 91 14.778 0.277 -12.645 1.00 0.00 N ATOM 0 H ARG A 91 13.052 -4.897 -18.640 1.00 0.00 H new ATOM 0 HA ARG A 91 15.159 -3.183 -17.488 1.00 0.00 H new ATOM 0 HB2 ARG A 91 13.696 -5.505 -16.178 1.00 0.00 H new ATOM 0 HB3 ARG A 91 15.277 -4.975 -15.640 1.00 0.00 H new ATOM 0 HG2 ARG A 91 12.712 -3.325 -15.696 1.00 0.00 H new ATOM 0 HG3 ARG A 91 13.588 -3.862 -14.276 1.00 0.00 H new ATOM 0 HD2 ARG A 91 15.600 -2.506 -15.510 1.00 0.00 H new ATOM 0 HD3 ARG A 91 14.240 -1.628 -16.181 1.00 0.00 H new ATOM 0 HE ARG A 91 13.837 -1.934 -13.338 1.00 0.00 H new ATOM 0 HH11 ARG A 91 15.865 -0.188 -15.667 1.00 0.00 H new ATOM 0 HH12 ARG A 91 16.151 1.174 -14.579 1.00 0.00 H new ATOM 0 HH21 ARG A 91 14.204 -0.172 -11.932 1.00 0.00 H new ATOM 0 HH22 ARG A 91 15.208 1.183 -12.458 1.00 0.00 H new ATOM 1538 N THR A 92 16.857 -4.697 -18.439 1.00 0.00 N ATOM 1539 CA THR A 92 17.868 -5.532 -19.066 1.00 0.00 C ATOM 1540 C THR A 92 18.624 -6.338 -18.009 1.00 0.00 C ATOM 1541 O THR A 92 18.277 -6.302 -16.830 1.00 0.00 O ATOM 1542 CB THR A 92 18.774 -4.628 -19.905 1.00 0.00 C ATOM 1543 OG1 THR A 92 19.066 -3.532 -19.043 1.00 0.00 O ATOM 1544 CG2 THR A 92 18.035 -3.989 -21.083 1.00 0.00 C ATOM 0 H THR A 92 17.170 -3.757 -18.198 1.00 0.00 H new ATOM 0 HA THR A 92 17.416 -6.269 -19.730 1.00 0.00 H new ATOM 0 HB THR A 92 19.619 -5.207 -20.278 1.00 0.00 H new ATOM 0 HG1 THR A 92 19.651 -2.897 -19.507 1.00 0.00 H new ATOM 0 HG21 THR A 92 18.723 -3.358 -21.645 1.00 0.00 H new ATOM 0 HG22 THR A 92 17.645 -4.771 -21.735 1.00 0.00 H new ATOM 0 HG23 THR A 92 17.210 -3.383 -20.709 1.00 0.00 H new ATOM 1552 N ASP A 93 19.645 -7.046 -18.469 1.00 0.00 N ATOM 1553 CA ASP A 93 20.454 -7.860 -17.578 1.00 0.00 C ATOM 1554 C ASP A 93 21.331 -6.948 -16.717 1.00 0.00 C ATOM 1555 O ASP A 93 21.648 -7.282 -15.576 1.00 0.00 O ATOM 1556 CB ASP A 93 21.374 -8.794 -18.367 1.00 0.00 C ATOM 1557 CG ASP A 93 22.369 -8.091 -19.292 1.00 0.00 C ATOM 1558 OD1 ASP A 93 21.895 -7.338 -20.169 1.00 0.00 O ATOM 1559 OD2 ASP A 93 23.583 -8.322 -19.100 1.00 0.00 O ATOM 0 H ASP A 93 19.931 -7.073 -19.448 1.00 0.00 H new ATOM 0 HA ASP A 93 19.781 -8.455 -16.961 1.00 0.00 H new ATOM 0 HB2 ASP A 93 21.930 -9.412 -17.662 1.00 0.00 H new ATOM 0 HB3 ASP A 93 20.758 -9.467 -18.964 1.00 0.00 H new ATOM 1564 N ASN A 94 21.699 -5.815 -17.297 1.00 0.00 N ATOM 1565 CA ASN A 94 22.533 -4.853 -16.598 1.00 0.00 C ATOM 1566 C ASN A 94 21.683 -4.093 -15.578 1.00 0.00 C ATOM 1567 O ASN A 94 22.216 -3.461 -14.667 1.00 0.00 O ATOM 1568 CB ASN A 94 23.131 -3.833 -17.569 1.00 0.00 C ATOM 1569 CG ASN A 94 23.245 -2.454 -16.915 1.00 0.00 C ATOM 1570 OD1 ASN A 94 24.200 -2.145 -16.222 1.00 0.00 O ATOM 1571 ND2 ASN A 94 22.220 -1.647 -17.174 1.00 0.00 N ATOM 0 H ASN A 94 21.435 -5.542 -18.244 1.00 0.00 H new ATOM 0 HA ASN A 94 23.339 -5.400 -16.108 1.00 0.00 H new ATOM 0 HB2 ASN A 94 24.116 -4.168 -17.893 1.00 0.00 H new ATOM 0 HB3 ASN A 94 22.508 -3.766 -18.461 1.00 0.00 H new ATOM 0 HD21 ASN A 94 22.201 -0.705 -16.784 1.00 0.00 H new ATOM 0 HD22 ASN A 94 21.452 -1.970 -17.763 1.00 0.00 H new ATOM 1578 N ALA A 95 20.374 -4.178 -15.766 1.00 0.00 N ATOM 1579 CA ALA A 95 19.444 -3.506 -14.874 1.00 0.00 C ATOM 1580 C ALA A 95 19.360 -4.279 -13.557 1.00 0.00 C ATOM 1581 O ALA A 95 19.685 -3.744 -12.497 1.00 0.00 O ATOM 1582 CB ALA A 95 18.083 -3.373 -15.561 1.00 0.00 C ATOM 0 H ALA A 95 19.935 -4.702 -16.523 1.00 0.00 H new ATOM 0 HA ALA A 95 19.792 -2.499 -14.644 1.00 0.00 H new ATOM 0 HB1 ALA A 95 17.385 -2.869 -14.892 1.00 0.00 H new ATOM 0 HB2 ALA A 95 18.193 -2.791 -16.476 1.00 0.00 H new ATOM 0 HB3 ALA A 95 17.700 -4.364 -15.805 1.00 0.00 H new ATOM 1588 N VAL A 96 18.921 -5.524 -13.665 1.00 0.00 N ATOM 1589 CA VAL A 96 18.790 -6.376 -12.495 1.00 0.00 C ATOM 1590 C VAL A 96 20.176 -6.642 -11.904 1.00 0.00 C ATOM 1591 O VAL A 96 20.437 -6.307 -10.750 1.00 0.00 O ATOM 1592 CB VAL A 96 18.041 -7.659 -12.863 1.00 0.00 C ATOM 1593 CG1 VAL A 96 17.797 -8.525 -11.626 1.00 0.00 C ATOM 1594 CG2 VAL A 96 16.726 -7.340 -13.577 1.00 0.00 C ATOM 0 H VAL A 96 18.651 -5.964 -14.545 1.00 0.00 H new ATOM 0 HA VAL A 96 18.199 -5.879 -11.726 1.00 0.00 H new ATOM 0 HB VAL A 96 18.667 -8.227 -13.551 1.00 0.00 H new ATOM 0 HG11 VAL A 96 17.263 -9.430 -11.915 1.00 0.00 H new ATOM 0 HG12 VAL A 96 18.753 -8.795 -11.177 1.00 0.00 H new ATOM 0 HG13 VAL A 96 17.201 -7.968 -10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 96 16.213 -8.269 -13.828 1.00 0.00 H new ATOM 0 HG22 VAL A 96 16.093 -6.741 -12.923 1.00 0.00 H new ATOM 0 HG23 VAL A 96 16.934 -6.783 -14.490 1.00 0.00 H new ATOM 1604 N LYS A 97 21.028 -7.241 -12.723 1.00 0.00 N ATOM 1605 CA LYS A 97 22.381 -7.555 -12.296 1.00 0.00 C ATOM 1606 C LYS A 97 22.879 -6.462 -11.349 1.00 0.00 C ATOM 1607 O LYS A 97 23.479 -6.757 -10.316 1.00 0.00 O ATOM 1608 CB LYS A 97 23.287 -7.778 -13.509 1.00 0.00 C ATOM 1609 CG LYS A 97 24.710 -8.133 -13.072 1.00 0.00 C ATOM 1610 CD LYS A 97 25.599 -8.422 -14.283 1.00 0.00 C ATOM 1611 CE LYS A 97 25.846 -7.151 -15.098 1.00 0.00 C ATOM 1612 NZ LYS A 97 27.195 -6.609 -14.818 1.00 0.00 N ATOM 0 H LYS A 97 20.808 -7.517 -13.680 1.00 0.00 H new ATOM 0 HA LYS A 97 22.397 -8.491 -11.738 1.00 0.00 H new ATOM 0 HB2 LYS A 97 22.882 -8.579 -14.128 1.00 0.00 H new ATOM 0 HB3 LYS A 97 23.305 -6.878 -14.124 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.133 -7.311 -12.494 1.00 0.00 H new ATOM 0 HG3 LYS A 97 24.687 -9.004 -12.417 1.00 0.00 H new ATOM 0 HD2 LYS A 97 26.551 -8.835 -13.949 1.00 0.00 H new ATOM 0 HD3 LYS A 97 25.128 -9.176 -14.913 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.749 -7.369 -16.161 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.090 -6.404 -14.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 27.346 -5.747 -15.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.275 -6.382 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 27.913 -7.317 -15.071 1.00 0.00 H new ATOM 1626 N ASN A 98 22.611 -5.223 -11.734 1.00 0.00 N ATOM 1627 CA ASN A 98 23.025 -4.084 -10.931 1.00 0.00 C ATOM 1628 C ASN A 98 22.133 -3.989 -9.692 1.00 0.00 C ATOM 1629 O ASN A 98 22.624 -4.024 -8.565 1.00 0.00 O ATOM 1630 CB ASN A 98 22.886 -2.778 -11.716 1.00 0.00 C ATOM 1631 CG ASN A 98 23.782 -1.687 -11.127 1.00 0.00 C ATOM 1632 OD1 ASN A 98 24.839 -1.391 -11.878 1.00 0.00 O flip ATOM 1633 ND2 ASN A 98 23.531 -1.149 -10.061 1.00 0.00 N flip ATOM 0 H ASN A 98 22.113 -4.982 -12.591 1.00 0.00 H new ATOM 0 HA ASN A 98 24.069 -4.228 -10.653 1.00 0.00 H new ATOM 0 HB2 ASN A 98 23.151 -2.947 -12.760 1.00 0.00 H new ATOM 0 HB3 ASN A 98 21.847 -2.449 -11.700 1.00 0.00 H new ATOM 0 HD21 ASN A 98 22.702 -1.424 -9.534 1.00 0.00 H new ATOM 0 HD22 ASN A 98 24.150 -0.425 -9.697 1.00 0.00 H new ATOM 1640 N HIS A 99 20.837 -3.869 -9.942 1.00 0.00 N ATOM 1641 CA HIS A 99 19.872 -3.768 -8.861 1.00 0.00 C ATOM 1642 C HIS A 99 20.194 -4.810 -7.787 1.00 0.00 C ATOM 1643 O HIS A 99 19.874 -4.618 -6.615 1.00 0.00 O ATOM 1644 CB HIS A 99 18.444 -3.888 -9.394 1.00 0.00 C ATOM 1645 CG HIS A 99 17.379 -3.779 -8.329 1.00 0.00 C ATOM 1646 ND1 HIS A 99 16.152 -4.368 -8.232 1.00 0.00 N flip ATOM 1647 CD2 HIS A 99 17.524 -2.990 -7.202 1.00 0.00 C flip ATOM 1648 CE1 HIS A 99 15.580 -3.961 -7.105 1.00 0.00 C flip ATOM 1649 NE2 HIS A 99 16.428 -3.106 -6.466 1.00 0.00 N flip ATOM 0 H HIS A 99 20.433 -3.839 -10.878 1.00 0.00 H new ATOM 0 HA HIS A 99 19.942 -2.784 -8.397 1.00 0.00 H new ATOM 0 HB2 HIS A 99 18.279 -3.110 -10.139 1.00 0.00 H new ATOM 0 HB3 HIS A 99 18.337 -4.845 -9.904 1.00 0.00 H new ATOM 0 HD1 HIS A 99 15.744 -5.011 -8.910 1.00 0.00 H new ATOM 0 HD2 HIS A 99 18.384 -2.383 -6.963 1.00 0.00 H new ATOM 0 HE1 HIS A 99 14.603 -4.258 -6.752 1.00 0.00 H new ATOM 1657 N TRP A 100 20.821 -5.891 -8.226 1.00 0.00 N ATOM 1658 CA TRP A 100 21.189 -6.964 -7.318 1.00 0.00 C ATOM 1659 C TRP A 100 22.193 -6.404 -6.308 1.00 0.00 C ATOM 1660 O TRP A 100 21.881 -6.271 -5.126 1.00 0.00 O ATOM 1661 CB TRP A 100 21.725 -8.173 -8.086 1.00 0.00 C ATOM 1662 CG TRP A 100 21.509 -9.509 -7.373 1.00 0.00 C ATOM 1663 CD1 TRP A 100 22.416 -10.461 -7.112 1.00 0.00 C ATOM 1664 CD2 TRP A 100 20.266 -10.006 -6.834 1.00 0.00 C ATOM 1665 NE1 TRP A 100 21.850 -11.531 -6.449 1.00 0.00 N ATOM 1666 CE2 TRP A 100 20.501 -11.245 -6.274 1.00 0.00 C ATOM 1667 CE3 TRP A 100 18.985 -9.427 -6.821 1.00 0.00 C ATOM 1668 CZ2 TRP A 100 19.503 -12.010 -5.660 1.00 0.00 C ATOM 1669 CZ3 TRP A 100 17.998 -10.205 -6.204 1.00 0.00 C ATOM 1670 CH2 TRP A 100 18.218 -11.454 -5.635 1.00 0.00 C ATOM 0 H TRP A 100 21.084 -6.047 -9.199 1.00 0.00 H new ATOM 0 HA TRP A 100 20.316 -7.328 -6.777 1.00 0.00 H new ATOM 0 HB2 TRP A 100 21.243 -8.212 -9.063 1.00 0.00 H new ATOM 0 HB3 TRP A 100 22.792 -8.035 -8.262 1.00 0.00 H new ATOM 0 HD1 TRP A 100 23.459 -10.399 -7.386 1.00 0.00 H new ATOM 0 HE1 TRP A 100 22.333 -12.376 -6.144 1.00 0.00 H new ATOM 0 HE3 TRP A 100 18.779 -8.459 -7.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 19.713 -12.978 -5.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 16.995 -9.807 -6.168 1.00 0.00 H new ATOM 0 HH2 TRP A 100 17.402 -11.993 -5.176 1.00 0.00 H new ATOM 1681 N ASN A 101 23.379 -6.092 -6.811 1.00 0.00 N ATOM 1682 CA ASN A 101 24.430 -5.550 -5.968 1.00 0.00 C ATOM 1683 C ASN A 101 24.053 -4.132 -5.537 1.00 0.00 C ATOM 1684 O ASN A 101 24.771 -3.503 -4.761 1.00 0.00 O ATOM 1685 CB ASN A 101 25.759 -5.477 -6.723 1.00 0.00 C ATOM 1686 CG ASN A 101 26.315 -6.877 -6.992 1.00 0.00 C ATOM 1687 OD1 ASN A 101 26.727 -7.592 -6.094 1.00 0.00 O ATOM 1688 ND2 ASN A 101 26.303 -7.226 -8.275 1.00 0.00 N ATOM 0 H ASN A 101 23.635 -6.205 -7.792 1.00 0.00 H new ATOM 0 HA ASN A 101 24.541 -6.206 -5.105 1.00 0.00 H new ATOM 0 HB2 ASN A 101 25.617 -4.951 -7.667 1.00 0.00 H new ATOM 0 HB3 ASN A 101 26.480 -4.901 -6.143 1.00 0.00 H new ATOM 0 HD21 ASN A 101 26.653 -8.141 -8.558 1.00 0.00 H new ATOM 0 HD22 ASN A 101 25.944 -6.578 -8.976 1.00 0.00 H new ATOM 1695 N SER A 102 22.926 -3.669 -6.058 1.00 0.00 N ATOM 1696 CA SER A 102 22.444 -2.337 -5.737 1.00 0.00 C ATOM 1697 C SER A 102 21.920 -2.302 -4.300 1.00 0.00 C ATOM 1698 O SER A 102 22.623 -1.867 -3.390 1.00 0.00 O ATOM 1699 CB SER A 102 21.350 -1.897 -6.712 1.00 0.00 C ATOM 1700 OG SER A 102 21.831 -1.812 -8.051 1.00 0.00 O ATOM 0 H SER A 102 22.333 -4.193 -6.701 1.00 0.00 H new ATOM 0 HA SER A 102 23.277 -1.640 -5.830 1.00 0.00 H new ATOM 0 HB2 SER A 102 20.521 -2.603 -6.669 1.00 0.00 H new ATOM 0 HB3 SER A 102 20.959 -0.927 -6.405 1.00 0.00 H new ATOM 0 HG SER A 102 22.650 -2.343 -8.139 1.00 0.00 H new ATOM 1706 N THR A 103 20.689 -2.765 -4.142 1.00 0.00 N ATOM 1707 CA THR A 103 20.062 -2.793 -2.832 1.00 0.00 C ATOM 1708 C THR A 103 19.656 -4.221 -2.465 1.00 0.00 C ATOM 1709 O THR A 103 19.330 -4.501 -1.312 1.00 0.00 O ATOM 1710 CB THR A 103 18.887 -1.812 -2.849 1.00 0.00 C ATOM 1711 OG1 THR A 103 19.487 -0.547 -2.583 1.00 0.00 O ATOM 1712 CG2 THR A 103 17.930 -2.025 -1.675 1.00 0.00 C ATOM 0 H THR A 103 20.109 -3.124 -4.900 1.00 0.00 H new ATOM 0 HA THR A 103 20.757 -2.477 -2.054 1.00 0.00 H new ATOM 0 HB THR A 103 18.340 -1.916 -3.786 1.00 0.00 H new ATOM 0 HG1 THR A 103 18.796 0.148 -2.578 1.00 0.00 H new ATOM 0 HG21 THR A 103 17.115 -1.304 -1.735 1.00 0.00 H new ATOM 0 HG22 THR A 103 17.524 -3.036 -1.715 1.00 0.00 H new ATOM 0 HG23 THR A 103 18.468 -1.888 -0.737 1.00 0.00 H new ATOM 1720 N ILE A 104 19.688 -5.088 -3.467 1.00 0.00 N ATOM 1721 CA ILE A 104 19.328 -6.480 -3.263 1.00 0.00 C ATOM 1722 C ILE A 104 20.585 -7.284 -2.924 1.00 0.00 C ATOM 1723 O ILE A 104 20.707 -8.445 -3.310 1.00 0.00 O ATOM 1724 CB ILE A 104 18.563 -7.018 -4.475 1.00 0.00 C ATOM 1725 CG1 ILE A 104 17.670 -5.935 -5.084 1.00 0.00 C ATOM 1726 CG2 ILE A 104 17.772 -8.276 -4.110 1.00 0.00 C ATOM 1727 CD1 ILE A 104 17.112 -6.382 -6.436 1.00 0.00 C ATOM 0 H ILE A 104 19.958 -4.853 -4.422 1.00 0.00 H new ATOM 0 HA ILE A 104 18.649 -6.577 -2.416 1.00 0.00 H new ATOM 0 HB ILE A 104 19.288 -7.304 -5.237 1.00 0.00 H new ATOM 0 HG12 ILE A 104 16.849 -5.711 -4.404 1.00 0.00 H new ATOM 0 HG13 ILE A 104 18.241 -5.015 -5.208 1.00 0.00 H new ATOM 0 HG21 ILE A 104 17.238 -8.638 -4.989 1.00 0.00 H new ATOM 0 HG22 ILE A 104 18.457 -9.048 -3.759 1.00 0.00 H new ATOM 0 HG23 ILE A 104 17.057 -8.040 -3.322 1.00 0.00 H new ATOM 0 HD11 ILE A 104 16.481 -5.594 -6.847 1.00 0.00 H new ATOM 0 HD12 ILE A 104 17.936 -6.582 -7.121 1.00 0.00 H new ATOM 0 HD13 ILE A 104 16.521 -7.289 -6.304 1.00 0.00 H new ATOM 1739 N LYS A 105 21.487 -6.633 -2.204 1.00 0.00 N ATOM 1740 CA LYS A 105 22.731 -7.273 -1.808 1.00 0.00 C ATOM 1741 C LYS A 105 23.202 -6.682 -0.478 1.00 0.00 C ATOM 1742 O LYS A 105 23.485 -5.488 -0.390 1.00 0.00 O ATOM 1743 CB LYS A 105 23.767 -7.169 -2.928 1.00 0.00 C ATOM 1744 CG LYS A 105 23.517 -8.226 -4.006 1.00 0.00 C ATOM 1745 CD LYS A 105 23.610 -9.637 -3.423 1.00 0.00 C ATOM 1746 CE LYS A 105 24.918 -9.827 -2.653 1.00 0.00 C ATOM 1747 NZ LYS A 105 25.525 -11.138 -2.976 1.00 0.00 N ATOM 0 H LYS A 105 21.382 -5.670 -1.885 1.00 0.00 H new ATOM 0 HA LYS A 105 22.576 -8.340 -1.647 1.00 0.00 H new ATOM 0 HB2 LYS A 105 23.728 -6.175 -3.373 1.00 0.00 H new ATOM 0 HB3 LYS A 105 24.768 -7.295 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 105 22.531 -8.075 -4.447 1.00 0.00 H new ATOM 0 HG3 LYS A 105 24.246 -8.112 -4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 105 22.764 -9.817 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 105 23.547 -10.371 -4.226 1.00 0.00 H new ATOM 0 HE2 LYS A 105 25.614 -9.026 -2.903 1.00 0.00 H new ATOM 0 HE3 LYS A 105 24.729 -9.761 -1.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 26.412 -11.250 -2.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 24.866 -11.899 -2.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 25.724 -11.187 -3.996 1.00 0.00 H new ATOM 1761 N ARG A 106 23.271 -7.545 0.525 1.00 0.00 N ATOM 1762 CA ARG A 106 23.702 -7.123 1.847 1.00 0.00 C ATOM 1763 C ARG A 106 25.221 -6.937 1.875 1.00 0.00 C ATOM 1764 O ARG A 106 25.710 -5.813 1.978 1.00 0.00 O ATOM 1765 CB ARG A 106 23.301 -8.147 2.911 1.00 0.00 C ATOM 1766 CG ARG A 106 21.808 -8.050 3.230 1.00 0.00 C ATOM 1767 CD ARG A 106 21.115 -9.399 3.026 1.00 0.00 C ATOM 1768 NE ARG A 106 20.545 -9.474 1.662 1.00 0.00 N ATOM 1769 CZ ARG A 106 19.332 -9.011 1.328 1.00 0.00 C ATOM 1770 NH1 ARG A 106 18.555 -8.437 2.257 1.00 0.00 N ATOM 1771 NH2 ARG A 106 18.897 -9.122 0.066 1.00 0.00 N ATOM 0 H ARG A 106 23.036 -8.535 0.449 1.00 0.00 H new ATOM 0 HA ARG A 106 23.211 -6.175 2.069 1.00 0.00 H new ATOM 0 HB2 ARG A 106 23.537 -9.152 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 106 23.882 -7.981 3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 106 21.673 -7.720 4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 106 21.344 -7.298 2.591 1.00 0.00 H new ATOM 0 HD2 ARG A 106 21.828 -10.210 3.176 1.00 0.00 H new ATOM 0 HD3 ARG A 106 20.326 -9.527 3.767 1.00 0.00 H new ATOM 0 HE ARG A 106 21.110 -9.905 0.931 1.00 0.00 H new ATOM 0 HH11 ARG A 106 18.887 -8.352 3.218 1.00 0.00 H new ATOM 0 HH12 ARG A 106 17.632 -8.085 2.003 1.00 0.00 H new ATOM 0 HH21 ARG A 106 19.489 -9.559 -0.641 1.00 0.00 H new ATOM 0 HH22 ARG A 106 17.974 -8.770 -0.188 1.00 0.00 H new ATOM 1785 N LYS A 107 25.924 -8.056 1.782 1.00 0.00 N ATOM 1786 CA LYS A 107 27.376 -8.031 1.796 1.00 0.00 C ATOM 1787 C LYS A 107 27.883 -7.401 0.497 1.00 0.00 C ATOM 1788 O LYS A 107 28.323 -8.106 -0.410 1.00 0.00 O ATOM 1789 CB LYS A 107 27.935 -9.431 2.058 1.00 0.00 C ATOM 1790 CG LYS A 107 29.331 -9.587 1.453 1.00 0.00 C ATOM 1791 CD LYS A 107 30.258 -10.349 2.402 1.00 0.00 C ATOM 1792 CE LYS A 107 31.704 -9.872 2.256 1.00 0.00 C ATOM 1793 NZ LYS A 107 32.602 -10.664 3.127 1.00 0.00 N ATOM 0 H LYS A 107 25.514 -8.986 1.697 1.00 0.00 H new ATOM 0 HA LYS A 107 27.738 -7.410 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 107 27.978 -9.614 3.132 1.00 0.00 H new ATOM 0 HB3 LYS A 107 27.265 -10.179 1.633 1.00 0.00 H new ATOM 0 HG2 LYS A 107 29.262 -10.117 0.503 1.00 0.00 H new ATOM 0 HG3 LYS A 107 29.751 -8.604 1.240 1.00 0.00 H new ATOM 0 HD2 LYS A 107 29.927 -10.208 3.431 1.00 0.00 H new ATOM 0 HD3 LYS A 107 30.201 -11.417 2.192 1.00 0.00 H new ATOM 0 HE2 LYS A 107 32.021 -9.965 1.217 1.00 0.00 H new ATOM 0 HE3 LYS A 107 31.773 -8.816 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 33.580 -10.327 3.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 32.309 -10.554 4.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 32.549 -11.668 2.859 1.00 0.00 H new ATOM 1807 N VAL A 108 27.805 -6.079 0.448 1.00 0.00 N ATOM 1808 CA VAL A 108 28.250 -5.345 -0.725 1.00 0.00 C ATOM 1809 C VAL A 108 28.702 -3.946 -0.304 1.00 0.00 C ATOM 1810 O VAL A 108 29.770 -3.487 -0.708 1.00 0.00 O ATOM 1811 CB VAL A 108 27.142 -5.324 -1.780 1.00 0.00 C ATOM 1812 CG1 VAL A 108 26.902 -3.903 -2.293 1.00 0.00 C ATOM 1813 CG2 VAL A 108 27.465 -6.276 -2.933 1.00 0.00 C ATOM 0 H VAL A 108 27.440 -5.497 1.202 1.00 0.00 H new ATOM 0 HA VAL A 108 29.107 -5.839 -1.183 1.00 0.00 H new ATOM 0 HB VAL A 108 26.222 -5.670 -1.308 1.00 0.00 H new ATOM 0 HG11 VAL A 108 26.110 -3.915 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 108 26.607 -3.261 -1.463 1.00 0.00 H new ATOM 0 HG13 VAL A 108 27.818 -3.518 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 108 26.662 -6.242 -3.669 1.00 0.00 H new ATOM 0 HG22 VAL A 108 28.401 -5.974 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 108 27.563 -7.292 -2.550 1.00 0.00 H new ATOM 1823 N ASP A 109 27.868 -3.306 0.502 1.00 0.00 N ATOM 1824 CA ASP A 109 28.169 -1.968 0.981 1.00 0.00 C ATOM 1825 C ASP A 109 27.476 -1.745 2.327 1.00 0.00 C ATOM 1826 O ASP A 109 26.443 -1.082 2.396 1.00 0.00 O ATOM 1827 CB ASP A 109 27.658 -0.905 0.006 1.00 0.00 C ATOM 1828 CG ASP A 109 28.264 0.487 0.191 1.00 0.00 C ATOM 1829 OD1 ASP A 109 29.478 0.543 0.485 1.00 0.00 O ATOM 1830 OD2 ASP A 109 27.500 1.464 0.035 1.00 0.00 O ATOM 0 H ASP A 109 26.984 -3.689 0.836 1.00 0.00 H new ATOM 0 HA ASP A 109 29.251 -1.880 1.076 1.00 0.00 H new ATOM 0 HB2 ASP A 109 27.859 -1.240 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 109 26.575 -0.830 0.109 1.00 0.00 H new ATOM 1835 N THR A 110 28.074 -2.313 3.365 1.00 0.00 N ATOM 1836 CA THR A 110 27.528 -2.185 4.705 1.00 0.00 C ATOM 1837 C THR A 110 28.526 -2.707 5.740 1.00 0.00 C ATOM 1838 O THR A 110 28.415 -2.399 6.926 1.00 0.00 O ATOM 1839 CB THR A 110 26.182 -2.912 4.739 1.00 0.00 C ATOM 1840 OG1 THR A 110 25.491 -2.312 5.831 1.00 0.00 O ATOM 1841 CG2 THR A 110 26.320 -4.380 5.146 1.00 0.00 C ATOM 0 H THR A 110 28.931 -2.863 3.304 1.00 0.00 H new ATOM 0 HA THR A 110 27.356 -1.140 4.963 1.00 0.00 H new ATOM 0 HB THR A 110 25.711 -2.850 3.758 1.00 0.00 H new ATOM 0 HG1 THR A 110 26.111 -2.182 6.579 1.00 0.00 H new ATOM 0 HG21 THR A 110 25.336 -4.849 5.154 1.00 0.00 H new ATOM 0 HG22 THR A 110 26.962 -4.896 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 110 26.760 -4.442 6.141 1.00 0.00 H new TER 1849 THR A 110