USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 829 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 71 TYR OH : rot -76:sc= -2.65! USER MOD Set 1.2: A 89 ASN : amide:sc= -2.07 X(o=-4.7,f=-4.3) USER MOD Set 2.1: A 1 MET CE :methyl -149:sc= -2.18 (180deg=-0.0453) USER MOD Set 2.2: A 38 LYS NZ :NH3+ 157:sc= -1.73 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -177:sc= 0.0399 (180deg=0.0377) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.683 K(o=-0.68,f=-2.3!) USER MOD Single : A 11 ASN :FLIP amide:sc= -0.675 F(o=-2!,f=-0.67) USER MOD Single : A 15 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.16) USER MOD Single : A 20 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.312) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 63:sc= 0.169 USER MOD Single : A 31 SER OG : rot 130:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.102 K(o=-0.1,f=-2.1!) USER MOD Single : A 46 ASN : amide:sc= -0.255 K(o=-0.25,f=-2.3!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -0.159 K(o=-0.16,f=-1.3!) USER MOD Single : A 54 THR OG1 : rot 81:sc= 1.28 USER MOD Single : A 57 GLN : amide:sc= -0.0656 K(o=-0.066,f=-0.77) USER MOD Single : A 61 LYS NZ :NH3+ -159:sc= 0.328 (180deg=0.0831) USER MOD Single : A 67 TYR OH : rot 30:sc= -0.362 USER MOD Single : A 69 LYS NZ :NH3+ 141:sc= 0.963 (180deg=-2.88!) USER MOD Single : A 72 ASN : amide:sc= 0.333 X(o=0.33,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl 153:sc= -0.973 (180deg=-2.4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= 0.0188 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 174:sc= 0.851 (180deg=0.694!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.453 -10.768 -8.913 1.00 0.00 N ATOM 2 CA MET A 1 -11.648 -11.523 -7.969 1.00 0.00 C ATOM 3 C MET A 1 -12.497 -12.018 -6.796 1.00 0.00 C ATOM 4 O MET A 1 -13.687 -11.717 -6.716 1.00 0.00 O ATOM 5 CB MET A 1 -10.516 -10.638 -7.442 1.00 0.00 C ATOM 6 CG MET A 1 -9.165 -11.078 -8.012 1.00 0.00 C ATOM 7 SD MET A 1 -9.280 -11.255 -9.785 1.00 0.00 S ATOM 8 CE MET A 1 -9.258 -9.538 -10.270 1.00 0.00 C ATOM 0 H1 MET A 1 -11.865 -10.487 -9.724 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.242 -11.358 -9.245 1.00 0.00 H new ATOM 0 H3 MET A 1 -12.829 -9.918 -8.447 1.00 0.00 H new ATOM 0 HA MET A 1 -11.235 -12.390 -8.485 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.707 -9.599 -7.710 1.00 0.00 H new ATOM 0 HB3 MET A 1 -10.489 -10.686 -6.353 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.398 -10.345 -7.760 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.862 -12.024 -7.563 1.00 0.00 H new ATOM 0 HE1 MET A 1 -9.841 -9.410 -11.182 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.690 -8.930 -9.475 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.230 -9.224 -10.450 1.00 0.00 H new ATOM 18 N ASP A 2 -11.852 -12.769 -5.916 1.00 0.00 N ATOM 19 CA ASP A 2 -12.533 -13.310 -4.752 1.00 0.00 C ATOM 20 C ASP A 2 -12.061 -12.567 -3.501 1.00 0.00 C ATOM 21 O ASP A 2 -11.055 -12.936 -2.897 1.00 0.00 O ATOM 22 CB ASP A 2 -12.216 -14.795 -4.568 1.00 0.00 C ATOM 23 CG ASP A 2 -11.716 -15.510 -5.824 1.00 0.00 C ATOM 24 OD1 ASP A 2 -10.772 -15.052 -6.485 1.00 0.00 O ATOM 25 OD2 ASP A 2 -12.344 -16.596 -6.121 1.00 0.00 O ATOM 0 H ASP A 2 -10.865 -13.016 -5.986 1.00 0.00 H new ATOM 0 HA ASP A 2 -13.606 -13.187 -4.901 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.463 -14.896 -3.787 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -13.114 -15.301 -4.213 1.00 0.00 H new ATOM 31 N ILE A 3 -12.811 -11.534 -3.146 1.00 0.00 N ATOM 32 CA ILE A 3 -12.482 -10.736 -1.978 1.00 0.00 C ATOM 33 C ILE A 3 -13.615 -10.843 -0.956 1.00 0.00 C ATOM 34 O ILE A 3 -14.785 -10.687 -1.302 1.00 0.00 O ATOM 35 CB ILE A 3 -12.156 -9.297 -2.385 1.00 0.00 C ATOM 36 CG1 ILE A 3 -10.695 -9.167 -2.819 1.00 0.00 C ATOM 37 CG2 ILE A 3 -12.511 -8.317 -1.266 1.00 0.00 C ATOM 38 CD1 ILE A 3 -10.241 -7.707 -2.787 1.00 0.00 C ATOM 0 H ILE A 3 -13.646 -11.231 -3.647 1.00 0.00 H new ATOM 0 HA ILE A 3 -11.581 -11.119 -1.498 1.00 0.00 H new ATOM 0 HB ILE A 3 -12.771 -9.038 -3.247 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.062 -9.763 -2.161 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -10.574 -9.567 -3.826 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -12.269 -7.302 -1.581 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -13.577 -8.385 -1.047 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.940 -8.565 -0.371 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.199 -7.643 -3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -10.860 -7.119 -3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -10.340 -7.317 -1.774 1.00 0.00 H new ATOM 50 N SER A 4 -13.229 -11.111 0.283 1.00 0.00 N ATOM 51 CA SER A 4 -14.199 -11.241 1.357 1.00 0.00 C ATOM 52 C SER A 4 -13.803 -10.343 2.532 1.00 0.00 C ATOM 53 O SER A 4 -12.681 -10.424 3.028 1.00 0.00 O ATOM 54 CB SER A 4 -14.317 -12.695 1.818 1.00 0.00 C ATOM 55 OG SER A 4 -15.675 -13.124 1.890 1.00 0.00 O ATOM 0 H SER A 4 -12.258 -11.242 0.567 1.00 0.00 H new ATOM 0 HA SER A 4 -15.172 -10.927 0.979 1.00 0.00 H new ATOM 0 HB2 SER A 4 -13.769 -13.339 1.130 1.00 0.00 H new ATOM 0 HB3 SER A 4 -13.850 -12.804 2.797 1.00 0.00 H new ATOM 0 HG SER A 4 -15.708 -14.058 2.186 1.00 0.00 H new ATOM 61 N ILE A 5 -14.748 -9.509 2.941 1.00 0.00 N ATOM 62 CA ILE A 5 -14.512 -8.597 4.047 1.00 0.00 C ATOM 63 C ILE A 5 -14.619 -9.364 5.367 1.00 0.00 C ATOM 64 O ILE A 5 -15.568 -10.117 5.575 1.00 0.00 O ATOM 65 CB ILE A 5 -15.451 -7.392 3.958 1.00 0.00 C ATOM 66 CG1 ILE A 5 -15.401 -6.761 2.566 1.00 0.00 C ATOM 67 CG2 ILE A 5 -15.146 -6.376 5.060 1.00 0.00 C ATOM 68 CD1 ILE A 5 -13.988 -6.282 2.231 1.00 0.00 C ATOM 0 H ILE A 5 -15.678 -9.446 2.527 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.502 -8.189 3.996 1.00 0.00 H new ATOM 0 HB ILE A 5 -16.471 -7.741 4.117 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -15.729 -7.487 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -16.094 -5.921 2.519 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -15.828 -5.530 4.974 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.274 -6.847 6.035 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -14.119 -6.026 4.958 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.981 -5.838 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.673 -5.538 2.963 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -13.302 -7.128 2.255 1.00 0.00 H new ATOM 80 N ILE A 6 -13.631 -9.145 6.223 1.00 0.00 N ATOM 81 CA ILE A 6 -13.602 -9.807 7.516 1.00 0.00 C ATOM 82 C ILE A 6 -14.216 -8.882 8.570 1.00 0.00 C ATOM 83 O ILE A 6 -15.166 -9.259 9.254 1.00 0.00 O ATOM 84 CB ILE A 6 -12.182 -10.265 7.851 1.00 0.00 C ATOM 85 CG1 ILE A 6 -11.631 -11.185 6.761 1.00 0.00 C ATOM 86 CG2 ILE A 6 -12.129 -10.919 9.234 1.00 0.00 C ATOM 87 CD1 ILE A 6 -12.231 -12.588 6.872 1.00 0.00 C ATOM 0 H ILE A 6 -12.845 -8.519 6.046 1.00 0.00 H new ATOM 0 HA ILE A 6 -14.207 -10.713 7.495 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.539 -9.386 7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -11.855 -10.767 5.780 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -10.546 -11.242 6.843 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.108 -11.236 9.448 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.452 -10.202 9.988 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -12.789 -11.786 9.252 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -11.822 -13.222 6.085 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -11.985 -13.013 7.845 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -13.314 -12.530 6.765 1.00 0.00 H new ATOM 99 N SER A 7 -13.645 -7.690 8.669 1.00 0.00 N ATOM 100 CA SER A 7 -14.124 -6.709 9.629 1.00 0.00 C ATOM 101 C SER A 7 -14.142 -5.319 8.991 1.00 0.00 C ATOM 102 O SER A 7 -13.460 -5.080 7.996 1.00 0.00 O ATOM 103 CB SER A 7 -13.258 -6.704 10.890 1.00 0.00 C ATOM 104 OG SER A 7 -11.903 -7.047 10.609 1.00 0.00 O ATOM 0 H SER A 7 -12.856 -7.382 8.101 1.00 0.00 H new ATOM 0 HA SER A 7 -15.139 -6.981 9.920 1.00 0.00 H new ATOM 0 HB2 SER A 7 -13.294 -5.717 11.351 1.00 0.00 H new ATOM 0 HB3 SER A 7 -13.668 -7.408 11.614 1.00 0.00 H new ATOM 0 HG SER A 7 -11.383 -7.031 11.439 1.00 0.00 H new ATOM 110 N ASP A 8 -14.929 -4.438 9.591 1.00 0.00 N ATOM 111 CA ASP A 8 -15.044 -3.077 9.095 1.00 0.00 C ATOM 112 C ASP A 8 -14.944 -2.100 10.267 1.00 0.00 C ATOM 113 O ASP A 8 -15.951 -1.766 10.890 1.00 0.00 O ATOM 114 CB ASP A 8 -16.393 -2.855 8.408 1.00 0.00 C ATOM 115 CG ASP A 8 -17.614 -3.014 9.315 1.00 0.00 C ATOM 116 OD1 ASP A 8 -17.957 -4.129 9.735 1.00 0.00 O ATOM 117 OD2 ASP A 8 -18.235 -1.917 9.591 1.00 0.00 O ATOM 0 H ASP A 8 -15.493 -4.640 10.416 1.00 0.00 H new ATOM 0 HA ASP A 8 -14.241 -2.911 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -16.405 -1.853 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -16.481 -3.557 7.579 1.00 0.00 H new ATOM 123 N ARG A 9 -13.719 -1.669 10.534 1.00 0.00 N ATOM 124 CA ARG A 9 -13.475 -0.737 11.621 1.00 0.00 C ATOM 125 C ARG A 9 -13.197 0.662 11.068 1.00 0.00 C ATOM 126 O ARG A 9 -12.654 0.805 9.974 1.00 0.00 O ATOM 127 CB ARG A 9 -12.286 -1.186 12.474 1.00 0.00 C ATOM 128 CG ARG A 9 -12.759 -1.809 13.789 1.00 0.00 C ATOM 129 CD ARG A 9 -12.359 -0.940 14.983 1.00 0.00 C ATOM 130 NE ARG A 9 -11.952 -1.796 16.119 1.00 0.00 N ATOM 131 CZ ARG A 9 -12.820 -2.421 16.944 1.00 0.00 C ATOM 132 NH1 ARG A 9 -14.152 -2.291 16.764 1.00 0.00 N ATOM 133 NH2 ARG A 9 -12.346 -3.164 17.928 1.00 0.00 N ATOM 0 H ARG A 9 -12.886 -1.948 10.016 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.368 -0.714 12.245 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -11.688 -1.909 11.919 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -11.641 -0.333 12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -13.842 -1.930 13.769 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -12.329 -2.805 13.899 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -11.539 -0.279 14.703 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -13.195 -0.305 15.277 1.00 0.00 H new ATOM 0 HE ARG A 9 -10.954 -1.922 16.290 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -14.510 -1.717 16.000 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -14.800 -2.767 17.392 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -11.338 -3.259 18.056 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -12.988 -3.643 18.560 1.00 0.00 H new ATOM 146 N ASN A 10 -13.583 1.659 11.851 1.00 0.00 N ATOM 147 CA ASN A 10 -13.383 3.043 11.453 1.00 0.00 C ATOM 148 C ASN A 10 -12.589 3.772 12.539 1.00 0.00 C ATOM 149 O ASN A 10 -12.843 3.586 13.728 1.00 0.00 O ATOM 150 CB ASN A 10 -14.720 3.765 11.280 1.00 0.00 C ATOM 151 CG ASN A 10 -14.527 5.283 11.269 1.00 0.00 C ATOM 152 OD1 ASN A 10 -13.585 5.810 10.700 1.00 0.00 O ATOM 153 ND2 ASN A 10 -15.468 5.954 11.928 1.00 0.00 N ATOM 0 H ASN A 10 -14.033 1.536 12.758 1.00 0.00 H new ATOM 0 HA ASN A 10 -12.846 3.047 10.505 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.191 3.448 10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -15.395 3.487 12.089 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -15.428 6.972 11.979 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -16.230 5.451 12.382 1.00 0.00 H new ATOM 160 N ASN A 11 -11.644 4.585 12.092 1.00 0.00 N ATOM 161 CA ASN A 11 -10.811 5.342 13.010 1.00 0.00 C ATOM 162 C ASN A 11 -10.849 6.822 12.625 1.00 0.00 C ATOM 163 O ASN A 11 -10.047 7.276 11.810 1.00 0.00 O ATOM 164 CB ASN A 11 -9.355 4.874 12.947 1.00 0.00 C ATOM 165 CG ASN A 11 -9.180 3.529 13.654 1.00 0.00 C ATOM 166 OD1 ASN A 11 -9.439 2.476 12.884 1.00 0.00 O flip ATOM 167 ND2 ASN A 11 -8.833 3.452 14.821 1.00 0.00 N flip ATOM 0 H ASN A 11 -11.436 4.736 11.105 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.196 5.189 14.018 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -9.043 4.785 11.907 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -8.709 5.620 13.411 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -8.650 4.301 15.356 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -8.726 2.539 15.262 1.00 0.00 H new ATOM 174 N PRO A 12 -11.815 7.553 13.244 1.00 0.00 N ATOM 175 CA PRO A 12 -11.968 8.972 12.974 1.00 0.00 C ATOM 176 C PRO A 12 -10.867 9.783 13.660 1.00 0.00 C ATOM 177 O PRO A 12 -10.285 10.681 13.055 1.00 0.00 O ATOM 178 CB PRO A 12 -13.361 9.319 13.475 1.00 0.00 C ATOM 179 CG PRO A 12 -13.754 8.198 14.423 1.00 0.00 C ATOM 180 CD PRO A 12 -12.782 7.048 14.214 1.00 0.00 C ATOM 0 HA PRO A 12 -11.868 9.212 11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.364 10.282 13.986 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -14.066 9.396 12.647 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -13.721 8.543 15.456 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -14.776 7.874 14.228 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -12.296 6.766 15.148 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -13.293 6.161 13.839 1.00 0.00 H new ATOM 188 N LEU A 13 -10.614 9.435 14.913 1.00 0.00 N ATOM 189 CA LEU A 13 -9.593 10.119 15.688 1.00 0.00 C ATOM 190 C LEU A 13 -8.349 10.324 14.818 1.00 0.00 C ATOM 191 O LEU A 13 -8.012 11.453 14.466 1.00 0.00 O ATOM 192 CB LEU A 13 -9.313 9.367 16.990 1.00 0.00 C ATOM 193 CG LEU A 13 -10.458 9.338 18.006 1.00 0.00 C ATOM 194 CD1 LEU A 13 -11.145 7.970 18.019 1.00 0.00 C ATOM 195 CD2 LEU A 13 -9.968 9.747 19.396 1.00 0.00 C ATOM 0 H LEU A 13 -11.099 8.688 15.411 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.942 11.108 15.986 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.046 8.339 16.743 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.442 9.817 17.466 1.00 0.00 H new ATOM 0 HG LEU A 13 -11.205 10.070 17.700 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -11.954 7.976 18.749 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -11.550 7.757 17.030 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -10.420 7.201 18.287 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -10.801 9.718 20.099 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -9.191 9.057 19.726 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -9.562 10.758 19.356 1.00 0.00 H new ATOM 207 N LEU A 14 -7.704 9.213 14.495 1.00 0.00 N ATOM 208 CA LEU A 14 -6.506 9.256 13.673 1.00 0.00 C ATOM 209 C LEU A 14 -6.871 9.753 12.273 1.00 0.00 C ATOM 210 O LEU A 14 -6.006 10.201 11.524 1.00 0.00 O ATOM 211 CB LEU A 14 -5.803 7.897 13.679 1.00 0.00 C ATOM 212 CG LEU A 14 -5.244 7.437 15.028 1.00 0.00 C ATOM 213 CD1 LEU A 14 -4.997 5.928 15.032 1.00 0.00 C ATOM 214 CD2 LEU A 14 -3.986 8.226 15.396 1.00 0.00 C ATOM 0 H LEU A 14 -7.988 8.278 14.787 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.786 9.963 14.085 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.507 7.144 13.324 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.984 7.931 12.961 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.989 7.643 15.796 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.600 5.627 16.001 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.935 5.405 14.846 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.279 5.675 14.252 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.608 7.880 16.358 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.224 8.074 14.631 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.228 9.287 15.461 1.00 0.00 H new ATOM 226 N GLN A 15 -8.156 9.656 11.962 1.00 0.00 N ATOM 227 CA GLN A 15 -8.647 10.090 10.664 1.00 0.00 C ATOM 228 C GLN A 15 -8.296 9.057 9.592 1.00 0.00 C ATOM 229 O GLN A 15 -8.228 9.385 8.409 1.00 0.00 O ATOM 230 CB GLN A 15 -8.090 11.468 10.301 1.00 0.00 C ATOM 231 CG GLN A 15 -9.222 12.462 10.033 1.00 0.00 C ATOM 232 CD GLN A 15 -8.899 13.835 10.628 1.00 0.00 C ATOM 233 OE1 GLN A 15 -8.986 14.860 9.972 1.00 0.00 O ATOM 234 NE2 GLN A 15 -8.522 13.797 11.903 1.00 0.00 N ATOM 0 H GLN A 15 -8.872 9.283 12.586 1.00 0.00 H new ATOM 0 HA GLN A 15 -9.732 10.175 10.717 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.462 11.836 11.112 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.455 11.387 9.419 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.382 12.556 8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -10.151 12.085 10.462 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.471 12.904 12.393 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.284 14.661 12.391 1.00 0.00 H new ATOM 243 N ARG A 16 -8.082 7.830 10.045 1.00 0.00 N ATOM 244 CA ARG A 16 -7.741 6.747 9.137 1.00 0.00 C ATOM 245 C ARG A 16 -8.816 5.659 9.180 1.00 0.00 C ATOM 246 O ARG A 16 -9.713 5.701 10.022 1.00 0.00 O ATOM 247 CB ARG A 16 -6.388 6.131 9.501 1.00 0.00 C ATOM 248 CG ARG A 16 -5.267 7.166 9.392 1.00 0.00 C ATOM 249 CD ARG A 16 -3.941 6.595 9.900 1.00 0.00 C ATOM 250 NE ARG A 16 -3.751 5.222 9.381 1.00 0.00 N ATOM 251 CZ ARG A 16 -2.925 4.311 9.937 1.00 0.00 C ATOM 252 NH1 ARG A 16 -2.205 4.620 11.037 1.00 0.00 N ATOM 253 NH2 ARG A 16 -2.832 3.113 9.390 1.00 0.00 N ATOM 0 H ARG A 16 -8.138 7.562 11.028 1.00 0.00 H new ATOM 0 HA ARG A 16 -7.681 7.163 8.131 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -6.426 5.736 10.516 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -6.177 5.291 8.840 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -5.158 7.481 8.354 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.529 8.053 9.968 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.115 7.231 9.581 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.933 6.585 10.990 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.277 4.947 8.551 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.283 5.548 11.454 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -1.583 3.926 11.451 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -3.380 2.888 8.560 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -2.212 2.413 9.798 1.00 0.00 H new ATOM 266 N ARG A 17 -8.691 4.712 8.262 1.00 0.00 N ATOM 267 CA ARG A 17 -9.641 3.616 8.184 1.00 0.00 C ATOM 268 C ARG A 17 -8.942 2.286 8.471 1.00 0.00 C ATOM 269 O ARG A 17 -7.798 2.082 8.068 1.00 0.00 O ATOM 270 CB ARG A 17 -10.297 3.552 6.803 1.00 0.00 C ATOM 271 CG ARG A 17 -11.673 2.888 6.880 1.00 0.00 C ATOM 272 CD ARG A 17 -12.705 3.833 7.499 1.00 0.00 C ATOM 273 NE ARG A 17 -14.057 3.502 6.997 1.00 0.00 N ATOM 274 CZ ARG A 17 -14.581 3.989 5.852 1.00 0.00 C ATOM 275 NH1 ARG A 17 -13.867 4.833 5.078 1.00 0.00 N ATOM 276 NH2 ARG A 17 -15.801 3.626 5.501 1.00 0.00 N ATOM 0 H ARG A 17 -7.946 4.681 7.566 1.00 0.00 H new ATOM 0 HA ARG A 17 -10.413 3.793 8.932 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.397 4.559 6.397 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -9.658 2.994 6.118 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.996 2.596 5.881 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.608 1.976 7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -12.681 3.750 8.586 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.459 4.866 7.252 1.00 0.00 H new ATOM 0 HE ARG A 17 -14.630 2.865 7.551 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.925 5.107 5.357 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -14.269 5.197 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -16.333 2.987 6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -16.212 3.985 4.639 1.00 0.00 H new ATOM 289 N GLU A 18 -9.659 1.415 9.167 1.00 0.00 N ATOM 290 CA GLU A 18 -9.121 0.110 9.512 1.00 0.00 C ATOM 291 C GLU A 18 -10.114 -0.991 9.134 1.00 0.00 C ATOM 292 O GLU A 18 -11.002 -1.327 9.917 1.00 0.00 O ATOM 293 CB GLU A 18 -8.765 0.039 10.999 1.00 0.00 C ATOM 294 CG GLU A 18 -7.388 0.652 11.262 1.00 0.00 C ATOM 295 CD GLU A 18 -6.655 -0.103 12.372 1.00 0.00 C ATOM 296 OE1 GLU A 18 -6.693 0.317 13.538 1.00 0.00 O ATOM 297 OE2 GLU A 18 -6.030 -1.165 11.988 1.00 0.00 O ATOM 0 H GLU A 18 -10.607 1.588 9.501 1.00 0.00 H new ATOM 0 HA GLU A 18 -8.204 -0.044 8.944 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.519 0.566 11.583 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.774 -1.000 11.330 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.795 0.628 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.500 1.699 11.542 1.00 0.00 H new ATOM 305 N ILE A 19 -9.932 -1.522 7.934 1.00 0.00 N ATOM 306 CA ILE A 19 -10.800 -2.577 7.442 1.00 0.00 C ATOM 307 C ILE A 19 -9.950 -3.785 7.038 1.00 0.00 C ATOM 308 O ILE A 19 -8.971 -3.643 6.308 1.00 0.00 O ATOM 309 CB ILE A 19 -11.698 -2.053 6.319 1.00 0.00 C ATOM 310 CG1 ILE A 19 -12.508 -0.843 6.785 1.00 0.00 C ATOM 311 CG2 ILE A 19 -12.593 -3.165 5.768 1.00 0.00 C ATOM 312 CD1 ILE A 19 -13.721 -0.615 5.881 1.00 0.00 C ATOM 0 H ILE A 19 -9.195 -1.241 7.287 1.00 0.00 H new ATOM 0 HA ILE A 19 -11.476 -2.912 8.229 1.00 0.00 H new ATOM 0 HB ILE A 19 -11.061 -1.718 5.500 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -12.839 -0.996 7.812 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -11.876 0.045 6.783 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -13.221 -2.766 4.971 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.972 -3.969 5.372 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -13.224 -3.554 6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -14.280 0.251 6.234 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -13.385 -0.438 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -14.363 -1.496 5.905 1.00 0.00 H new ATOM 324 N LYS A 20 -10.357 -4.945 7.531 1.00 0.00 N ATOM 325 CA LYS A 20 -9.646 -6.176 7.230 1.00 0.00 C ATOM 326 C LYS A 20 -10.484 -7.023 6.271 1.00 0.00 C ATOM 327 O LYS A 20 -11.711 -7.035 6.357 1.00 0.00 O ATOM 328 CB LYS A 20 -9.266 -6.904 8.522 1.00 0.00 C ATOM 329 CG LYS A 20 -7.850 -7.478 8.431 1.00 0.00 C ATOM 330 CD LYS A 20 -7.878 -8.935 7.963 1.00 0.00 C ATOM 331 CE LYS A 20 -8.795 -9.778 8.851 1.00 0.00 C ATOM 332 NZ LYS A 20 -8.099 -11.007 9.294 1.00 0.00 N ATOM 0 H LYS A 20 -11.170 -5.059 8.137 1.00 0.00 H new ATOM 0 HA LYS A 20 -8.705 -5.959 6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.330 -6.215 9.364 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.977 -7.708 8.713 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.256 -6.881 7.739 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.365 -7.414 9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.222 -8.982 6.930 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.869 -9.346 7.982 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.106 -9.196 9.719 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.699 -10.042 8.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.631 -11.446 10.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.034 -11.675 8.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.142 -10.765 9.622 1.00 0.00 H new ATOM 345 N PHE A 21 -9.788 -7.712 5.378 1.00 0.00 N ATOM 346 CA PHE A 21 -10.453 -8.559 4.402 1.00 0.00 C ATOM 347 C PHE A 21 -9.481 -9.583 3.814 1.00 0.00 C ATOM 348 O PHE A 21 -8.307 -9.614 4.182 1.00 0.00 O ATOM 349 CB PHE A 21 -10.953 -7.645 3.283 1.00 0.00 C ATOM 350 CG PHE A 21 -9.847 -7.134 2.356 1.00 0.00 C ATOM 351 CD1 PHE A 21 -9.421 -7.903 1.318 1.00 0.00 C ATOM 352 CD2 PHE A 21 -9.291 -5.912 2.570 1.00 0.00 C ATOM 353 CE1 PHE A 21 -8.395 -7.429 0.458 1.00 0.00 C ATOM 354 CE2 PHE A 21 -8.265 -5.438 1.711 1.00 0.00 C ATOM 355 CZ PHE A 21 -7.839 -6.207 0.672 1.00 0.00 C ATOM 0 H PHE A 21 -8.770 -7.701 5.310 1.00 0.00 H new ATOM 0 HA PHE A 21 -11.269 -9.104 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -11.690 -8.185 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -11.465 -6.791 3.727 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -9.863 -8.874 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -9.630 -5.302 3.394 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -8.056 -8.039 -0.366 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -7.823 -4.468 1.882 1.00 0.00 H new ATOM 0 HZ PHE A 21 -7.059 -5.846 0.018 1.00 0.00 H new ATOM 365 N THR A 22 -10.004 -10.396 2.908 1.00 0.00 N ATOM 366 CA THR A 22 -9.198 -11.419 2.264 1.00 0.00 C ATOM 367 C THR A 22 -9.325 -11.319 0.743 1.00 0.00 C ATOM 368 O THR A 22 -10.336 -10.840 0.231 1.00 0.00 O ATOM 369 CB THR A 22 -9.624 -12.778 2.822 1.00 0.00 C ATOM 370 OG1 THR A 22 -8.612 -13.095 3.775 1.00 0.00 O ATOM 371 CG2 THR A 22 -9.520 -13.897 1.783 1.00 0.00 C ATOM 0 H THR A 22 -10.977 -10.367 2.604 1.00 0.00 H new ATOM 0 HA THR A 22 -8.138 -11.281 2.479 1.00 0.00 H new ATOM 0 HB THR A 22 -10.649 -12.715 3.186 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.811 -13.962 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.834 -14.840 2.231 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.164 -13.666 0.934 1.00 0.00 H new ATOM 0 HG23 THR A 22 -8.488 -13.983 1.443 1.00 0.00 H new ATOM 379 N VAL A 23 -8.286 -11.781 0.062 1.00 0.00 N ATOM 380 CA VAL A 23 -8.269 -11.750 -1.390 1.00 0.00 C ATOM 381 C VAL A 23 -7.699 -13.068 -1.917 1.00 0.00 C ATOM 382 O VAL A 23 -6.649 -13.520 -1.461 1.00 0.00 O ATOM 383 CB VAL A 23 -7.495 -10.525 -1.879 1.00 0.00 C ATOM 384 CG1 VAL A 23 -6.170 -10.378 -1.127 1.00 0.00 C ATOM 385 CG2 VAL A 23 -7.263 -10.588 -3.389 1.00 0.00 C ATOM 0 H VAL A 23 -7.450 -12.179 0.490 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.282 -11.654 -1.782 1.00 0.00 H new ATOM 0 HB VAL A 23 -8.100 -9.642 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.639 -9.499 -1.494 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -6.367 -10.264 -0.061 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.559 -11.266 -1.290 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.711 -9.705 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.690 -11.483 -3.632 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.223 -10.622 -3.904 1.00 0.00 H new ATOM 395 N SER A 24 -8.413 -13.646 -2.871 1.00 0.00 N ATOM 396 CA SER A 24 -7.990 -14.903 -3.465 1.00 0.00 C ATOM 397 C SER A 24 -7.987 -14.786 -4.990 1.00 0.00 C ATOM 398 O SER A 24 -8.792 -14.051 -5.561 1.00 0.00 O ATOM 399 CB SER A 24 -8.896 -16.054 -3.022 1.00 0.00 C ATOM 400 OG SER A 24 -9.108 -16.998 -4.068 1.00 0.00 O ATOM 0 H SER A 24 -9.282 -13.267 -3.248 1.00 0.00 H new ATOM 0 HA SER A 24 -6.978 -15.120 -3.122 1.00 0.00 H new ATOM 0 HB2 SER A 24 -8.450 -16.557 -2.164 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.856 -15.655 -2.694 1.00 0.00 H new ATOM 0 HG SER A 24 -9.690 -17.718 -3.746 1.00 0.00 H new ATOM 406 N PHE A 25 -7.075 -15.522 -5.607 1.00 0.00 N ATOM 407 CA PHE A 25 -6.957 -15.510 -7.055 1.00 0.00 C ATOM 408 C PHE A 25 -6.351 -16.818 -7.567 1.00 0.00 C ATOM 409 O PHE A 25 -6.154 -17.758 -6.798 1.00 0.00 O ATOM 410 CB PHE A 25 -6.025 -14.353 -7.419 1.00 0.00 C ATOM 411 CG PHE A 25 -4.758 -14.282 -6.564 1.00 0.00 C ATOM 412 CD1 PHE A 25 -3.654 -14.989 -6.926 1.00 0.00 C ATOM 413 CD2 PHE A 25 -4.736 -13.514 -5.442 1.00 0.00 C ATOM 414 CE1 PHE A 25 -2.478 -14.924 -6.132 1.00 0.00 C ATOM 415 CE2 PHE A 25 -3.560 -13.448 -4.649 1.00 0.00 C ATOM 416 CZ PHE A 25 -2.455 -14.154 -5.011 1.00 0.00 C ATOM 0 H PHE A 25 -6.410 -16.131 -5.130 1.00 0.00 H new ATOM 0 HA PHE A 25 -7.942 -15.396 -7.507 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -5.739 -14.446 -8.467 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -6.571 -13.415 -7.320 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.671 -15.600 -7.817 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.613 -12.954 -5.154 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -1.602 -15.486 -6.419 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -3.543 -12.837 -3.758 1.00 0.00 H new ATOM 0 HZ PHE A 25 -1.560 -14.103 -4.409 1.00 0.00 H new ATOM 426 N ASP A 26 -6.071 -16.836 -8.862 1.00 0.00 N ATOM 427 CA ASP A 26 -5.491 -18.014 -9.485 1.00 0.00 C ATOM 428 C ASP A 26 -4.165 -17.635 -10.147 1.00 0.00 C ATOM 429 O ASP A 26 -4.135 -17.269 -11.322 1.00 0.00 O ATOM 430 CB ASP A 26 -6.415 -18.576 -10.567 1.00 0.00 C ATOM 431 CG ASP A 26 -7.845 -18.869 -10.108 1.00 0.00 C ATOM 432 OD1 ASP A 26 -8.683 -17.960 -10.010 1.00 0.00 O ATOM 433 OD2 ASP A 26 -8.090 -20.107 -9.842 1.00 0.00 O ATOM 0 H ASP A 26 -6.235 -16.054 -9.497 1.00 0.00 H new ATOM 0 HA ASP A 26 -5.343 -18.766 -8.710 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -6.453 -17.868 -11.395 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -5.978 -19.496 -10.955 1.00 0.00 H new ATOM 439 N ALA A 27 -3.100 -17.733 -9.364 1.00 0.00 N ATOM 440 CA ALA A 27 -1.774 -17.405 -9.860 1.00 0.00 C ATOM 441 C ALA A 27 -1.672 -15.892 -10.065 1.00 0.00 C ATOM 442 O ALA A 27 -0.833 -15.234 -9.452 1.00 0.00 O ATOM 443 CB ALA A 27 -1.501 -18.188 -11.146 1.00 0.00 C ATOM 0 H ALA A 27 -3.129 -18.035 -8.390 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.011 -17.692 -9.136 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.506 -17.942 -11.518 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.557 -19.257 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.245 -17.924 -11.898 1.00 0.00 H new ATOM 449 N ALA A 28 -2.537 -15.384 -10.931 1.00 0.00 N ATOM 450 CA ALA A 28 -2.554 -13.962 -11.225 1.00 0.00 C ATOM 451 C ALA A 28 -2.297 -13.176 -9.937 1.00 0.00 C ATOM 452 O ALA A 28 -3.146 -13.137 -9.049 1.00 0.00 O ATOM 453 CB ALA A 28 -3.887 -13.591 -11.877 1.00 0.00 C ATOM 0 H ALA A 28 -3.231 -15.933 -11.438 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.763 -13.707 -11.931 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.900 -12.524 -12.098 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.009 -14.154 -12.802 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.704 -13.830 -11.196 1.00 0.00 H new ATOM 459 N THR A 29 -1.120 -12.571 -9.877 1.00 0.00 N ATOM 460 CA THR A 29 -0.739 -11.788 -8.713 1.00 0.00 C ATOM 461 C THR A 29 -0.865 -10.293 -9.011 1.00 0.00 C ATOM 462 O THR A 29 -0.050 -9.731 -9.739 1.00 0.00 O ATOM 463 CB THR A 29 0.673 -12.209 -8.303 1.00 0.00 C ATOM 464 OG1 THR A 29 0.465 -13.287 -7.395 1.00 0.00 O ATOM 465 CG2 THR A 29 1.380 -11.144 -7.460 1.00 0.00 C ATOM 0 H THR A 29 -0.417 -12.607 -10.615 1.00 0.00 H new ATOM 0 HA THR A 29 -1.407 -11.977 -7.873 1.00 0.00 H new ATOM 0 HB THR A 29 1.263 -12.417 -9.196 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.029 -14.030 -7.863 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.378 -11.493 -7.196 1.00 0.00 H new ATOM 0 HG22 THR A 29 1.458 -10.220 -8.032 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.807 -10.960 -6.551 1.00 0.00 H new ATOM 473 N PRO A 30 -1.922 -9.676 -8.416 1.00 0.00 N ATOM 474 CA PRO A 30 -2.166 -8.257 -8.611 1.00 0.00 C ATOM 475 C PRO A 30 -1.176 -7.415 -7.804 1.00 0.00 C ATOM 476 O PRO A 30 -0.135 -7.913 -7.379 1.00 0.00 O ATOM 477 CB PRO A 30 -3.611 -8.045 -8.187 1.00 0.00 C ATOM 478 CG PRO A 30 -3.977 -9.251 -7.338 1.00 0.00 C ATOM 479 CD PRO A 30 -2.908 -10.311 -7.547 1.00 0.00 C ATOM 0 HA PRO A 30 -2.018 -7.942 -9.644 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -3.720 -7.121 -7.620 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -4.265 -7.965 -9.055 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -4.038 -8.973 -6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -4.956 -9.635 -7.623 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -2.463 -10.617 -6.600 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -3.324 -11.207 -8.008 1.00 0.00 H new ATOM 487 N SER A 31 -1.536 -6.154 -7.616 1.00 0.00 N ATOM 488 CA SER A 31 -0.692 -5.239 -6.867 1.00 0.00 C ATOM 489 C SER A 31 -1.532 -4.472 -5.843 1.00 0.00 C ATOM 490 O SER A 31 -2.680 -4.831 -5.583 1.00 0.00 O ATOM 491 CB SER A 31 0.025 -4.262 -7.802 1.00 0.00 C ATOM 492 OG SER A 31 0.595 -4.923 -8.928 1.00 0.00 O ATOM 0 H SER A 31 -2.401 -5.744 -7.969 1.00 0.00 H new ATOM 0 HA SER A 31 0.065 -5.822 -6.343 1.00 0.00 H new ATOM 0 HB2 SER A 31 -0.680 -3.504 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 31 0.809 -3.742 -7.251 1.00 0.00 H new ATOM 0 HG SER A 31 0.327 -4.460 -9.749 1.00 0.00 H new ATOM 498 N ILE A 32 -0.927 -3.431 -5.290 1.00 0.00 N ATOM 499 CA ILE A 32 -1.605 -2.612 -4.299 1.00 0.00 C ATOM 500 C ILE A 32 -2.680 -1.770 -4.990 1.00 0.00 C ATOM 501 O ILE A 32 -3.855 -1.847 -4.635 1.00 0.00 O ATOM 502 CB ILE A 32 -0.592 -1.784 -3.505 1.00 0.00 C ATOM 503 CG1 ILE A 32 0.692 -2.580 -3.257 1.00 0.00 C ATOM 504 CG2 ILE A 32 -1.206 -1.268 -2.202 1.00 0.00 C ATOM 505 CD1 ILE A 32 1.502 -1.968 -2.112 1.00 0.00 C ATOM 0 H ILE A 32 0.025 -3.136 -5.509 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.112 -3.241 -3.567 1.00 0.00 H new ATOM 0 HB ILE A 32 -0.322 -0.912 -4.101 1.00 0.00 H new ATOM 0 HG12 ILE A 32 0.443 -3.614 -3.019 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.295 -2.598 -4.165 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.465 -0.683 -1.657 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.068 -0.641 -2.429 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.523 -2.112 -1.590 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.409 -2.552 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.770 -0.942 -2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.905 -1.974 -1.200 1.00 0.00 H new ATOM 517 N LYS A 33 -2.239 -0.986 -5.962 1.00 0.00 N ATOM 518 CA LYS A 33 -3.149 -0.132 -6.705 1.00 0.00 C ATOM 519 C LYS A 33 -4.121 -1.002 -7.505 1.00 0.00 C ATOM 520 O LYS A 33 -5.321 -0.734 -7.532 1.00 0.00 O ATOM 521 CB LYS A 33 -2.367 0.865 -7.563 1.00 0.00 C ATOM 522 CG LYS A 33 -2.101 2.162 -6.793 1.00 0.00 C ATOM 523 CD LYS A 33 -0.904 2.004 -5.853 1.00 0.00 C ATOM 524 CE LYS A 33 0.413 2.087 -6.626 1.00 0.00 C ATOM 525 NZ LYS A 33 1.211 3.247 -6.165 1.00 0.00 N ATOM 0 H LYS A 33 -1.263 -0.924 -6.252 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.748 0.471 -6.023 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.421 0.421 -7.872 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -2.927 1.086 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.912 2.974 -7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.986 2.436 -6.219 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.931 2.781 -5.089 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -0.967 1.047 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 33 0.982 1.168 -6.487 1.00 0.00 H new ATOM 0 HE3 LYS A 33 0.210 2.178 -7.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.102 3.290 -6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 0.672 4.123 -6.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.420 3.144 -5.151 1.00 0.00 H new ATOM 538 N ASP A 34 -3.565 -2.024 -8.138 1.00 0.00 N ATOM 539 CA ASP A 34 -4.367 -2.936 -8.936 1.00 0.00 C ATOM 540 C ASP A 34 -5.497 -3.503 -8.074 1.00 0.00 C ATOM 541 O ASP A 34 -6.616 -3.686 -8.552 1.00 0.00 O ATOM 542 CB ASP A 34 -3.527 -4.108 -9.446 1.00 0.00 C ATOM 543 CG ASP A 34 -3.294 -4.128 -10.958 1.00 0.00 C ATOM 544 OD1 ASP A 34 -2.154 -4.007 -11.430 1.00 0.00 O ATOM 545 OD2 ASP A 34 -4.359 -4.275 -11.672 1.00 0.00 O ATOM 0 H ASP A 34 -2.569 -2.241 -8.115 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.763 -2.380 -9.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -2.559 -4.087 -8.945 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.016 -5.038 -9.157 1.00 0.00 H new ATOM 551 N VAL A 35 -5.165 -3.765 -6.819 1.00 0.00 N ATOM 552 CA VAL A 35 -6.138 -4.308 -5.886 1.00 0.00 C ATOM 553 C VAL A 35 -7.050 -3.183 -5.393 1.00 0.00 C ATOM 554 O VAL A 35 -8.264 -3.358 -5.301 1.00 0.00 O ATOM 555 CB VAL A 35 -5.420 -5.037 -4.747 1.00 0.00 C ATOM 556 CG1 VAL A 35 -6.307 -5.117 -3.503 1.00 0.00 C ATOM 557 CG2 VAL A 35 -4.967 -6.430 -5.188 1.00 0.00 C ATOM 0 H VAL A 35 -4.236 -3.612 -6.426 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.770 -5.046 -6.380 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.531 -4.462 -4.488 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.774 -5.639 -2.709 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.558 -4.110 -3.170 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.222 -5.659 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.460 -6.927 -4.361 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.835 -7.017 -5.486 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.283 -6.340 -6.032 1.00 0.00 H new ATOM 567 N LYS A 36 -6.430 -2.051 -5.091 1.00 0.00 N ATOM 568 CA LYS A 36 -7.172 -0.898 -4.611 1.00 0.00 C ATOM 569 C LYS A 36 -8.362 -0.640 -5.536 1.00 0.00 C ATOM 570 O LYS A 36 -9.410 -0.176 -5.091 1.00 0.00 O ATOM 571 CB LYS A 36 -6.243 0.309 -4.455 1.00 0.00 C ATOM 572 CG LYS A 36 -6.523 1.360 -5.532 1.00 0.00 C ATOM 573 CD LYS A 36 -5.324 2.293 -5.712 1.00 0.00 C ATOM 574 CE LYS A 36 -5.718 3.747 -5.446 1.00 0.00 C ATOM 575 NZ LYS A 36 -4.860 4.667 -6.227 1.00 0.00 N ATOM 0 H LYS A 36 -5.423 -1.908 -5.169 1.00 0.00 H new ATOM 0 HA LYS A 36 -7.576 -1.093 -3.618 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.377 0.750 -3.467 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.205 -0.016 -4.520 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -6.749 0.866 -6.477 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.403 1.942 -5.258 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.524 1.999 -5.032 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.933 2.198 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.764 3.901 -5.712 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.624 3.967 -4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -5.140 5.650 -6.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.866 4.531 -5.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.970 4.467 -7.242 1.00 0.00 H new ATOM 588 N MET A 37 -8.162 -0.955 -6.808 1.00 0.00 N ATOM 589 CA MET A 37 -9.206 -0.764 -7.800 1.00 0.00 C ATOM 590 C MET A 37 -10.516 -1.411 -7.347 1.00 0.00 C ATOM 591 O MET A 37 -11.558 -0.757 -7.314 1.00 0.00 O ATOM 592 CB MET A 37 -8.765 -1.379 -9.130 1.00 0.00 C ATOM 593 CG MET A 37 -7.814 -0.442 -9.878 1.00 0.00 C ATOM 594 SD MET A 37 -8.533 0.040 -11.438 1.00 0.00 S ATOM 595 CE MET A 37 -7.241 1.104 -12.059 1.00 0.00 C ATOM 0 H MET A 37 -7.292 -1.341 -7.174 1.00 0.00 H new ATOM 0 HA MET A 37 -9.374 0.306 -7.923 1.00 0.00 H new ATOM 0 HB2 MET A 37 -8.272 -2.334 -8.948 1.00 0.00 H new ATOM 0 HB3 MET A 37 -9.639 -1.585 -9.748 1.00 0.00 H new ATOM 0 HG2 MET A 37 -7.611 0.442 -9.273 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.859 -0.939 -10.047 1.00 0.00 H new ATOM 0 HE1 MET A 37 -7.529 1.495 -13.035 1.00 0.00 H new ATOM 0 HE2 MET A 37 -7.088 1.932 -11.367 1.00 0.00 H new ATOM 0 HE3 MET A 37 -6.316 0.535 -12.155 1.00 0.00 H new ATOM 605 N LYS A 38 -10.423 -2.689 -7.011 1.00 0.00 N ATOM 606 CA LYS A 38 -11.587 -3.433 -6.562 1.00 0.00 C ATOM 607 C LYS A 38 -11.988 -2.951 -5.166 1.00 0.00 C ATOM 608 O LYS A 38 -13.162 -2.689 -4.908 1.00 0.00 O ATOM 609 CB LYS A 38 -11.326 -4.938 -6.641 1.00 0.00 C ATOM 610 CG LYS A 38 -10.378 -5.270 -7.795 1.00 0.00 C ATOM 611 CD LYS A 38 -8.962 -5.537 -7.283 1.00 0.00 C ATOM 612 CE LYS A 38 -8.477 -6.924 -7.707 1.00 0.00 C ATOM 613 NZ LYS A 38 -8.217 -6.959 -9.163 1.00 0.00 N ATOM 0 H LYS A 38 -9.558 -3.229 -7.041 1.00 0.00 H new ATOM 0 HA LYS A 38 -12.435 -3.246 -7.221 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.897 -5.286 -5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -12.269 -5.468 -6.776 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -10.745 -6.145 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.362 -4.444 -8.506 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.283 -4.777 -7.669 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -8.944 -5.458 -6.196 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -7.568 -7.180 -7.163 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.225 -7.673 -7.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.547 -7.725 -9.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -9.109 -7.126 -9.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.812 -6.050 -9.465 1.00 0.00 H new ATOM 626 N LEU A 39 -10.989 -2.849 -4.301 1.00 0.00 N ATOM 627 CA LEU A 39 -11.223 -2.403 -2.938 1.00 0.00 C ATOM 628 C LEU A 39 -12.023 -1.099 -2.962 1.00 0.00 C ATOM 629 O LEU A 39 -12.934 -0.911 -2.157 1.00 0.00 O ATOM 630 CB LEU A 39 -9.901 -2.298 -2.174 1.00 0.00 C ATOM 631 CG LEU A 39 -9.035 -3.560 -2.157 1.00 0.00 C ATOM 632 CD1 LEU A 39 -7.775 -3.348 -1.316 1.00 0.00 C ATOM 633 CD2 LEU A 39 -9.842 -4.771 -1.684 1.00 0.00 C ATOM 0 H LEU A 39 -10.016 -3.067 -4.518 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.822 -3.135 -2.396 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.317 -1.486 -2.607 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -10.121 -2.018 -1.144 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.711 -3.767 -3.177 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.177 -4.259 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.191 -2.529 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.058 -3.104 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -9.204 -5.655 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -10.214 -4.589 -0.676 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -10.683 -4.933 -2.358 1.00 0.00 H new ATOM 645 N VAL A 40 -11.655 -0.233 -3.895 1.00 0.00 N ATOM 646 CA VAL A 40 -12.327 1.047 -4.034 1.00 0.00 C ATOM 647 C VAL A 40 -13.828 0.814 -4.214 1.00 0.00 C ATOM 648 O VAL A 40 -14.645 1.519 -3.626 1.00 0.00 O ATOM 649 CB VAL A 40 -11.704 1.843 -5.182 1.00 0.00 C ATOM 650 CG1 VAL A 40 -12.663 2.926 -5.683 1.00 0.00 C ATOM 651 CG2 VAL A 40 -10.363 2.450 -4.765 1.00 0.00 C ATOM 0 H VAL A 40 -10.900 -0.393 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 40 -12.197 1.646 -3.133 1.00 0.00 H new ATOM 0 HB VAL A 40 -11.518 1.153 -6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -12.195 3.477 -6.499 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -13.583 2.461 -6.039 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -12.895 3.612 -4.868 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.942 3.010 -5.600 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.514 3.119 -3.918 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.676 1.653 -4.480 1.00 0.00 H new ATOM 661 N ALA A 41 -14.146 -0.180 -5.032 1.00 0.00 N ATOM 662 CA ALA A 41 -15.534 -0.515 -5.297 1.00 0.00 C ATOM 663 C ALA A 41 -16.120 -1.242 -4.085 1.00 0.00 C ATOM 664 O ALA A 41 -17.283 -1.042 -3.739 1.00 0.00 O ATOM 665 CB ALA A 41 -15.622 -1.351 -6.576 1.00 0.00 C ATOM 0 H ALA A 41 -13.466 -0.763 -5.519 1.00 0.00 H new ATOM 0 HA ALA A 41 -16.123 0.388 -5.456 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -16.664 -1.603 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -15.220 -0.779 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -15.045 -2.267 -6.452 1.00 0.00 H new ATOM 671 N VAL A 42 -15.286 -2.070 -3.472 1.00 0.00 N ATOM 672 CA VAL A 42 -15.707 -2.826 -2.304 1.00 0.00 C ATOM 673 C VAL A 42 -16.033 -1.860 -1.166 1.00 0.00 C ATOM 674 O VAL A 42 -17.118 -1.919 -0.589 1.00 0.00 O ATOM 675 CB VAL A 42 -14.633 -3.850 -1.930 1.00 0.00 C ATOM 676 CG1 VAL A 42 -14.985 -4.560 -0.621 1.00 0.00 C ATOM 677 CG2 VAL A 42 -14.420 -4.860 -3.060 1.00 0.00 C ATOM 0 H VAL A 42 -14.322 -2.234 -3.762 1.00 0.00 H new ATOM 0 HA VAL A 42 -16.615 -3.390 -2.521 1.00 0.00 H new ATOM 0 HB VAL A 42 -13.697 -3.313 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -14.206 -5.282 -0.378 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -15.063 -3.826 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -15.938 -5.078 -0.733 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -13.652 -5.576 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -15.353 -5.389 -3.256 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -14.103 -4.336 -3.962 1.00 0.00 H new ATOM 687 N LEU A 43 -15.076 -0.991 -0.876 1.00 0.00 N ATOM 688 CA LEU A 43 -15.248 -0.012 0.184 1.00 0.00 C ATOM 689 C LEU A 43 -16.186 1.096 -0.299 1.00 0.00 C ATOM 690 O LEU A 43 -17.045 1.558 0.451 1.00 0.00 O ATOM 691 CB LEU A 43 -13.889 0.499 0.668 1.00 0.00 C ATOM 692 CG LEU A 43 -12.899 -0.569 1.135 1.00 0.00 C ATOM 693 CD1 LEU A 43 -11.712 0.065 1.863 1.00 0.00 C ATOM 694 CD2 LEU A 43 -13.597 -1.629 1.989 1.00 0.00 C ATOM 0 H LEU A 43 -14.178 -0.944 -1.357 1.00 0.00 H new ATOM 0 HA LEU A 43 -15.717 -0.471 1.054 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -13.427 1.066 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -14.056 1.195 1.490 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.503 -1.076 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -11.023 -0.716 2.185 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -11.196 0.749 1.190 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -12.070 0.614 2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -12.870 -2.376 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -14.040 -1.156 2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -14.379 -2.111 1.403 1.00 0.00 H new ATOM 706 N ASN A 44 -15.989 1.492 -1.548 1.00 0.00 N ATOM 707 CA ASN A 44 -16.806 2.538 -2.140 1.00 0.00 C ATOM 708 C ASN A 44 -16.402 3.890 -1.549 1.00 0.00 C ATOM 709 O ASN A 44 -17.253 4.646 -1.083 1.00 0.00 O ATOM 710 CB ASN A 44 -18.289 2.314 -1.838 1.00 0.00 C ATOM 711 CG ASN A 44 -19.167 2.875 -2.959 1.00 0.00 C ATOM 712 OD1 ASN A 44 -18.690 3.365 -3.970 1.00 0.00 O ATOM 713 ND2 ASN A 44 -20.472 2.779 -2.723 1.00 0.00 N ATOM 0 H ASN A 44 -15.275 1.107 -2.167 1.00 0.00 H new ATOM 0 HA ASN A 44 -16.650 2.519 -3.219 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -18.483 1.248 -1.718 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -18.548 2.793 -0.894 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -21.141 3.127 -3.409 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -20.804 2.357 -1.856 1.00 0.00 H new ATOM 720 N ALA A 45 -15.104 4.153 -1.587 1.00 0.00 N ATOM 721 CA ALA A 45 -14.578 5.401 -1.061 1.00 0.00 C ATOM 722 C ALA A 45 -13.713 6.074 -2.128 1.00 0.00 C ATOM 723 O ALA A 45 -13.710 5.655 -3.285 1.00 0.00 O ATOM 724 CB ALA A 45 -13.803 5.125 0.229 1.00 0.00 C ATOM 0 H ALA A 45 -14.401 3.523 -1.974 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.389 6.086 -0.814 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -13.408 6.061 0.624 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.469 4.673 0.964 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.979 4.443 0.019 1.00 0.00 H new ATOM 730 N ASN A 46 -13.000 7.105 -1.702 1.00 0.00 N ATOM 731 CA ASN A 46 -12.132 7.841 -2.606 1.00 0.00 C ATOM 732 C ASN A 46 -10.874 7.015 -2.884 1.00 0.00 C ATOM 733 O ASN A 46 -10.094 6.739 -1.974 1.00 0.00 O ATOM 734 CB ASN A 46 -11.696 9.172 -1.991 1.00 0.00 C ATOM 735 CG ASN A 46 -11.296 10.173 -3.077 1.00 0.00 C ATOM 736 OD1 ASN A 46 -11.450 9.935 -4.264 1.00 0.00 O ATOM 737 ND2 ASN A 46 -10.772 11.302 -2.606 1.00 0.00 N ATOM 0 H ASN A 46 -13.005 7.449 -0.742 1.00 0.00 H new ATOM 0 HA ASN A 46 -12.688 8.033 -3.524 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -12.509 9.584 -1.393 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -10.856 9.007 -1.316 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -10.471 12.033 -3.251 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -10.671 11.437 -1.600 1.00 0.00 H new ATOM 744 N LYS A 47 -10.717 6.643 -4.146 1.00 0.00 N ATOM 745 CA LYS A 47 -9.568 5.854 -4.555 1.00 0.00 C ATOM 746 C LYS A 47 -8.318 6.736 -4.542 1.00 0.00 C ATOM 747 O LYS A 47 -7.204 6.239 -4.374 1.00 0.00 O ATOM 748 CB LYS A 47 -9.831 5.183 -5.905 1.00 0.00 C ATOM 749 CG LYS A 47 -10.003 6.225 -7.011 1.00 0.00 C ATOM 750 CD LYS A 47 -8.659 6.572 -7.652 1.00 0.00 C ATOM 751 CE LYS A 47 -8.315 5.587 -8.772 1.00 0.00 C ATOM 752 NZ LYS A 47 -7.376 6.205 -9.735 1.00 0.00 N ATOM 0 H LYS A 47 -11.366 6.873 -4.898 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.394 5.042 -3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.003 4.518 -6.152 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.727 4.566 -5.840 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.685 5.844 -7.771 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -10.457 7.126 -6.599 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.694 7.585 -8.052 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.875 6.555 -6.894 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.871 4.686 -8.349 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.225 5.281 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.153 5.524 -10.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.813 7.051 -10.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.501 6.475 -9.242 1.00 0.00 H new ATOM 765 N GLN A 48 -8.542 8.029 -4.719 1.00 0.00 N ATOM 766 CA GLN A 48 -7.448 8.985 -4.729 1.00 0.00 C ATOM 767 C GLN A 48 -6.592 8.824 -3.472 1.00 0.00 C ATOM 768 O GLN A 48 -5.368 8.931 -3.531 1.00 0.00 O ATOM 769 CB GLN A 48 -7.972 10.416 -4.856 1.00 0.00 C ATOM 770 CG GLN A 48 -8.550 10.667 -6.250 1.00 0.00 C ATOM 771 CD GLN A 48 -8.118 12.035 -6.784 1.00 0.00 C ATOM 772 OE1 GLN A 48 -7.690 12.911 -6.050 1.00 0.00 O ATOM 773 NE2 GLN A 48 -8.254 12.168 -8.101 1.00 0.00 N ATOM 0 H GLN A 48 -9.466 8.438 -4.857 1.00 0.00 H new ATOM 0 HA GLN A 48 -6.823 8.784 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -8.740 10.594 -4.103 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.164 11.121 -4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -8.217 9.885 -6.932 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -9.638 10.615 -6.211 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -8.619 11.394 -8.657 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.993 13.043 -8.555 1.00 0.00 H new ATOM 782 N VAL A 49 -7.269 8.568 -2.362 1.00 0.00 N ATOM 783 CA VAL A 49 -6.585 8.392 -1.092 1.00 0.00 C ATOM 784 C VAL A 49 -6.932 7.016 -0.518 1.00 0.00 C ATOM 785 O VAL A 49 -7.521 6.919 0.558 1.00 0.00 O ATOM 786 CB VAL A 49 -6.935 9.540 -0.144 1.00 0.00 C ATOM 787 CG1 VAL A 49 -6.179 10.815 -0.524 1.00 0.00 C ATOM 788 CG2 VAL A 49 -8.445 9.786 -0.115 1.00 0.00 C ATOM 0 H VAL A 49 -8.284 8.478 -2.316 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.505 8.424 -1.233 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.623 9.252 0.860 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.446 11.616 0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -5.106 10.632 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.446 11.107 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.667 10.607 0.567 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.791 10.042 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.954 8.884 0.225 1.00 0.00 H new ATOM 798 N LEU A 50 -6.552 5.987 -1.261 1.00 0.00 N ATOM 799 CA LEU A 50 -6.816 4.621 -0.839 1.00 0.00 C ATOM 800 C LEU A 50 -5.567 3.770 -1.074 1.00 0.00 C ATOM 801 O LEU A 50 -4.948 3.848 -2.135 1.00 0.00 O ATOM 802 CB LEU A 50 -8.068 4.079 -1.530 1.00 0.00 C ATOM 803 CG LEU A 50 -8.528 2.688 -1.091 1.00 0.00 C ATOM 804 CD1 LEU A 50 -10.025 2.680 -0.776 1.00 0.00 C ATOM 805 CD2 LEU A 50 -8.157 1.633 -2.134 1.00 0.00 C ATOM 0 H LEU A 50 -6.064 6.071 -2.152 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.030 4.587 0.229 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.885 4.780 -1.360 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.885 4.057 -2.604 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.003 2.430 -0.171 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -10.326 1.679 -0.466 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -10.231 3.386 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -10.585 2.969 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.496 0.653 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.635 1.876 -3.083 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.075 1.617 -2.267 1.00 0.00 H new ATOM 817 N VAL A 51 -5.233 2.975 -0.068 1.00 0.00 N ATOM 818 CA VAL A 51 -4.069 2.109 -0.151 1.00 0.00 C ATOM 819 C VAL A 51 -4.276 0.895 0.756 1.00 0.00 C ATOM 820 O VAL A 51 -5.240 0.842 1.518 1.00 0.00 O ATOM 821 CB VAL A 51 -2.803 2.900 0.186 1.00 0.00 C ATOM 822 CG1 VAL A 51 -1.585 2.321 -0.536 1.00 0.00 C ATOM 823 CG2 VAL A 51 -2.980 4.385 -0.141 1.00 0.00 C ATOM 0 H VAL A 51 -5.749 2.912 0.810 1.00 0.00 H new ATOM 0 HA VAL A 51 -3.942 1.736 -1.167 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.629 2.812 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -0.699 2.902 -0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -1.440 1.285 -0.231 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.746 2.363 -1.613 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.066 4.924 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -3.191 4.501 -1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.809 4.789 0.440 1.00 0.00 H new ATOM 833 N VAL A 52 -3.354 -0.051 0.644 1.00 0.00 N ATOM 834 CA VAL A 52 -3.423 -1.261 1.445 1.00 0.00 C ATOM 835 C VAL A 52 -2.294 -1.249 2.477 1.00 0.00 C ATOM 836 O VAL A 52 -1.254 -0.630 2.258 1.00 0.00 O ATOM 837 CB VAL A 52 -3.390 -2.491 0.537 1.00 0.00 C ATOM 838 CG1 VAL A 52 -2.705 -3.669 1.233 1.00 0.00 C ATOM 839 CG2 VAL A 52 -4.799 -2.872 0.076 1.00 0.00 C ATOM 0 H VAL A 52 -2.556 -0.003 0.011 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.364 -1.303 1.993 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.805 -2.237 -0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.695 -4.530 0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -1.681 -3.396 1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -3.250 -3.921 2.143 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -4.746 -3.750 -0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.418 -3.096 0.945 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -5.238 -2.042 -0.477 1.00 0.00 H new ATOM 849 N ASP A 53 -2.537 -1.941 3.581 1.00 0.00 N ATOM 850 CA ASP A 53 -1.554 -2.017 4.648 1.00 0.00 C ATOM 851 C ASP A 53 -0.537 -3.112 4.320 1.00 0.00 C ATOM 852 O ASP A 53 0.667 -2.861 4.306 1.00 0.00 O ATOM 853 CB ASP A 53 -2.215 -2.370 5.982 1.00 0.00 C ATOM 854 CG ASP A 53 -2.207 -1.249 7.024 1.00 0.00 C ATOM 855 OD1 ASP A 53 -1.511 -1.333 8.046 1.00 0.00 O ATOM 856 OD2 ASP A 53 -2.967 -0.245 6.749 1.00 0.00 O ATOM 0 H ASP A 53 -3.400 -2.454 3.759 1.00 0.00 H new ATOM 0 HA ASP A 53 -1.071 -1.044 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -3.248 -2.662 5.793 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -1.710 -3.240 6.402 1.00 0.00 H new ATOM 862 N THR A 54 -1.058 -4.303 4.065 1.00 0.00 N ATOM 863 CA THR A 54 -0.211 -5.436 3.738 1.00 0.00 C ATOM 864 C THR A 54 -1.064 -6.665 3.416 1.00 0.00 C ATOM 865 O THR A 54 -2.228 -6.737 3.807 1.00 0.00 O ATOM 866 CB THR A 54 0.756 -5.657 4.905 1.00 0.00 C ATOM 867 OG1 THR A 54 1.956 -5.015 4.486 1.00 0.00 O ATOM 868 CG2 THR A 54 1.153 -7.124 5.066 1.00 0.00 C ATOM 0 H THR A 54 -2.057 -4.508 4.078 1.00 0.00 H new ATOM 0 HA THR A 54 0.377 -5.243 2.841 1.00 0.00 H new ATOM 0 HB THR A 54 0.298 -5.303 5.829 1.00 0.00 H new ATOM 0 HG1 THR A 54 1.886 -4.051 4.650 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.839 -7.225 5.907 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.262 -7.724 5.251 1.00 0.00 H new ATOM 0 HG23 THR A 54 1.642 -7.471 4.155 1.00 0.00 H new ATOM 876 N LEU A 55 -0.451 -7.602 2.706 1.00 0.00 N ATOM 877 CA LEU A 55 -1.140 -8.823 2.328 1.00 0.00 C ATOM 878 C LEU A 55 -0.234 -10.023 2.611 1.00 0.00 C ATOM 879 O LEU A 55 0.945 -9.856 2.920 1.00 0.00 O ATOM 880 CB LEU A 55 -1.616 -8.741 0.876 1.00 0.00 C ATOM 881 CG LEU A 55 -2.898 -9.509 0.547 1.00 0.00 C ATOM 882 CD1 LEU A 55 -4.024 -8.552 0.149 1.00 0.00 C ATOM 883 CD2 LEU A 55 -2.641 -10.569 -0.527 1.00 0.00 C ATOM 0 H LEU A 55 0.515 -7.539 2.383 1.00 0.00 H new ATOM 0 HA LEU A 55 -2.040 -8.954 2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -1.769 -7.692 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.819 -9.111 0.231 1.00 0.00 H new ATOM 0 HG LEU A 55 -3.223 -10.032 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.923 -9.124 -0.080 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.228 -7.868 0.973 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.723 -7.982 -0.730 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.568 -11.101 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.280 -10.087 -1.435 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.892 -11.276 -0.169 1.00 0.00 H new ATOM 895 N ASP A 56 -0.819 -11.206 2.494 1.00 0.00 N ATOM 896 CA ASP A 56 -0.078 -12.434 2.733 1.00 0.00 C ATOM 897 C ASP A 56 -0.799 -13.600 2.052 1.00 0.00 C ATOM 898 O ASP A 56 -1.980 -13.835 2.304 1.00 0.00 O ATOM 899 CB ASP A 56 0.009 -12.741 4.230 1.00 0.00 C ATOM 900 CG ASP A 56 1.413 -12.640 4.829 1.00 0.00 C ATOM 901 OD1 ASP A 56 2.032 -11.566 4.829 1.00 0.00 O ATOM 902 OD2 ASP A 56 1.877 -13.740 5.319 1.00 0.00 O ATOM 0 H ASP A 56 -1.797 -11.341 2.237 1.00 0.00 H new ATOM 0 HA ASP A 56 0.927 -12.306 2.332 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -0.648 -12.056 4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.372 -13.748 4.402 1.00 0.00 H new ATOM 908 N GLN A 57 -0.058 -14.298 1.205 1.00 0.00 N ATOM 909 CA GLN A 57 -0.611 -15.433 0.487 1.00 0.00 C ATOM 910 C GLN A 57 -0.858 -16.600 1.446 1.00 0.00 C ATOM 911 O GLN A 57 -0.046 -16.861 2.333 1.00 0.00 O ATOM 912 CB GLN A 57 0.305 -15.854 -0.664 1.00 0.00 C ATOM 913 CG GLN A 57 -0.426 -16.778 -1.638 1.00 0.00 C ATOM 914 CD GLN A 57 0.523 -17.834 -2.210 1.00 0.00 C ATOM 915 OE1 GLN A 57 1.733 -17.684 -2.207 1.00 0.00 O ATOM 916 NE2 GLN A 57 -0.094 -18.907 -2.699 1.00 0.00 N ATOM 0 H GLN A 57 0.921 -14.099 1.000 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.567 -15.134 0.056 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.659 -14.969 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 57 1.184 -16.361 -0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.255 -17.268 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.854 -16.191 -2.450 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.112 -18.968 -2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 57 0.451 -19.669 -3.103 1.00 0.00 H new ATOM 925 N ILE A 58 -1.981 -17.270 1.236 1.00 0.00 N ATOM 926 CA ILE A 58 -2.344 -18.401 2.071 1.00 0.00 C ATOM 927 C ILE A 58 -1.754 -19.681 1.473 1.00 0.00 C ATOM 928 O ILE A 58 -1.869 -19.920 0.273 1.00 0.00 O ATOM 929 CB ILE A 58 -3.860 -18.458 2.267 1.00 0.00 C ATOM 930 CG1 ILE A 58 -4.403 -17.108 2.742 1.00 0.00 C ATOM 931 CG2 ILE A 58 -4.250 -19.596 3.213 1.00 0.00 C ATOM 932 CD1 ILE A 58 -3.613 -16.594 3.948 1.00 0.00 C ATOM 0 H ILE A 58 -2.652 -17.051 0.499 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.920 -18.289 3.069 1.00 0.00 H new ATOM 0 HB ILE A 58 -4.320 -18.670 1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -4.347 -16.383 1.930 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.455 -17.208 3.008 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -5.333 -19.613 3.334 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -3.916 -20.546 2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.779 -19.440 4.183 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.019 -15.634 4.266 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.691 -17.310 4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.566 -16.472 3.672 1.00 0.00 H new ATOM 944 N PHE A 59 -1.133 -20.468 2.340 1.00 0.00 N ATOM 945 CA PHE A 59 -0.524 -21.716 1.913 1.00 0.00 C ATOM 946 C PHE A 59 -1.586 -22.794 1.681 1.00 0.00 C ATOM 947 O PHE A 59 -1.592 -23.451 0.642 1.00 0.00 O ATOM 948 CB PHE A 59 0.408 -22.168 3.040 1.00 0.00 C ATOM 949 CG PHE A 59 0.881 -23.618 2.912 1.00 0.00 C ATOM 950 CD1 PHE A 59 0.492 -24.542 3.831 1.00 0.00 C ATOM 951 CD2 PHE A 59 1.689 -23.982 1.881 1.00 0.00 C ATOM 952 CE1 PHE A 59 0.931 -25.888 3.713 1.00 0.00 C ATOM 953 CE2 PHE A 59 2.128 -25.327 1.763 1.00 0.00 C ATOM 954 CZ PHE A 59 1.739 -26.252 2.682 1.00 0.00 C ATOM 0 H PHE A 59 -1.039 -20.265 3.335 1.00 0.00 H new ATOM 0 HA PHE A 59 0.013 -21.566 0.976 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.279 -21.513 3.062 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.106 -22.047 3.993 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.150 -24.253 4.650 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.997 -23.248 1.151 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.623 -26.622 4.443 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.770 -25.616 0.944 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.072 -27.275 2.592 1.00 0.00 H new ATOM 964 N GLY A 60 -2.458 -22.941 2.668 1.00 0.00 N ATOM 965 CA GLY A 60 -3.522 -23.927 2.586 1.00 0.00 C ATOM 966 C GLY A 60 -4.057 -24.038 1.157 1.00 0.00 C ATOM 967 O GLY A 60 -4.097 -25.129 0.589 1.00 0.00 O ATOM 0 H GLY A 60 -2.449 -22.394 3.529 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -3.150 -24.897 2.915 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.332 -23.650 3.261 1.00 0.00 H new ATOM 971 N LYS A 61 -4.453 -22.896 0.616 1.00 0.00 N ATOM 972 CA LYS A 61 -4.984 -22.851 -0.735 1.00 0.00 C ATOM 973 C LYS A 61 -4.355 -21.676 -1.487 1.00 0.00 C ATOM 974 O LYS A 61 -3.228 -21.279 -1.194 1.00 0.00 O ATOM 975 CB LYS A 61 -6.513 -22.816 -0.710 1.00 0.00 C ATOM 976 CG LYS A 61 -7.023 -21.479 -0.168 1.00 0.00 C ATOM 977 CD LYS A 61 -8.526 -21.326 -0.413 1.00 0.00 C ATOM 978 CE LYS A 61 -9.327 -21.743 0.821 1.00 0.00 C ATOM 979 NZ LYS A 61 -10.579 -20.959 0.916 1.00 0.00 N ATOM 0 H LYS A 61 -4.417 -21.993 1.090 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.718 -23.758 -1.278 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.900 -22.976 -1.716 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.889 -23.630 -0.091 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.816 -21.413 0.900 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.487 -20.660 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.753 -20.290 -0.666 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.823 -21.935 -1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.560 -22.806 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.728 -21.592 1.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.928 -20.979 1.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.395 -19.975 0.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.295 -21.371 0.285 1.00 0.00 H new ATOM 992 N LEU A 62 -5.111 -21.152 -2.440 1.00 0.00 N ATOM 993 CA LEU A 62 -4.642 -20.030 -3.237 1.00 0.00 C ATOM 994 C LEU A 62 -5.287 -18.742 -2.724 1.00 0.00 C ATOM 995 O LEU A 62 -5.681 -17.884 -3.513 1.00 0.00 O ATOM 996 CB LEU A 62 -4.885 -20.290 -4.725 1.00 0.00 C ATOM 997 CG LEU A 62 -4.229 -21.547 -5.302 1.00 0.00 C ATOM 998 CD1 LEU A 62 -5.165 -22.252 -6.285 1.00 0.00 C ATOM 999 CD2 LEU A 62 -2.875 -21.217 -5.935 1.00 0.00 C ATOM 0 H LEU A 62 -6.046 -21.483 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.564 -19.911 -3.131 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -5.960 -20.356 -4.891 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.528 -19.427 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.041 -22.241 -4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.675 -23.142 -6.680 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.082 -22.541 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -5.407 -21.576 -7.105 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.430 -22.127 -6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.016 -20.495 -6.740 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.214 -20.793 -5.179 1.00 0.00 H new ATOM 1011 N GLU A 63 -5.377 -18.646 -1.406 1.00 0.00 N ATOM 1012 CA GLU A 63 -5.968 -17.476 -0.779 1.00 0.00 C ATOM 1013 C GLU A 63 -4.878 -16.478 -0.385 1.00 0.00 C ATOM 1014 O GLU A 63 -3.690 -16.768 -0.512 1.00 0.00 O ATOM 1015 CB GLU A 63 -6.813 -17.872 0.435 1.00 0.00 C ATOM 1016 CG GLU A 63 -7.933 -16.859 0.677 1.00 0.00 C ATOM 1017 CD GLU A 63 -9.298 -17.550 0.715 1.00 0.00 C ATOM 1018 OE1 GLU A 63 -9.675 -18.231 -0.249 1.00 0.00 O ATOM 1019 OE2 GLU A 63 -9.975 -17.358 1.796 1.00 0.00 O ATOM 0 H GLU A 63 -5.050 -19.360 -0.755 1.00 0.00 H new ATOM 0 HA GLU A 63 -6.630 -16.997 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.241 -18.862 0.277 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.178 -17.936 1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.759 -16.337 1.618 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -7.924 -16.106 -0.111 1.00 0.00 H new ATOM 1027 N ALA A 64 -5.322 -15.320 0.083 1.00 0.00 N ATOM 1028 CA ALA A 64 -4.399 -14.276 0.497 1.00 0.00 C ATOM 1029 C ALA A 64 -5.128 -13.289 1.409 1.00 0.00 C ATOM 1030 O ALA A 64 -6.102 -12.660 0.998 1.00 0.00 O ATOM 1031 CB ALA A 64 -3.808 -13.598 -0.742 1.00 0.00 C ATOM 0 H ALA A 64 -6.309 -15.082 0.185 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.570 -14.699 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -3.116 -12.815 -0.433 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -3.276 -14.336 -1.342 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.611 -13.159 -1.335 1.00 0.00 H new ATOM 1037 N GLU A 65 -4.629 -13.183 2.633 1.00 0.00 N ATOM 1038 CA GLU A 65 -5.221 -12.282 3.607 1.00 0.00 C ATOM 1039 C GLU A 65 -4.385 -11.007 3.728 1.00 0.00 C ATOM 1040 O GLU A 65 -3.157 -11.057 3.664 1.00 0.00 O ATOM 1041 CB GLU A 65 -5.374 -12.969 4.966 1.00 0.00 C ATOM 1042 CG GLU A 65 -6.260 -12.144 5.901 1.00 0.00 C ATOM 1043 CD GLU A 65 -5.650 -12.059 7.301 1.00 0.00 C ATOM 1044 OE1 GLU A 65 -5.198 -10.982 7.716 1.00 0.00 O ATOM 1045 OE2 GLU A 65 -5.658 -13.163 7.967 1.00 0.00 O ATOM 0 H GLU A 65 -3.822 -13.706 2.972 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.217 -12.007 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.807 -13.960 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.393 -13.109 5.419 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.388 -11.141 5.495 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -7.251 -12.594 5.959 1.00 0.00 H new ATOM 1053 N GLY A 66 -5.083 -9.895 3.900 1.00 0.00 N ATOM 1054 CA GLY A 66 -4.420 -8.608 4.030 1.00 0.00 C ATOM 1055 C GLY A 66 -5.351 -7.573 4.667 1.00 0.00 C ATOM 1056 O GLY A 66 -6.530 -7.845 4.884 1.00 0.00 O ATOM 0 H GLY A 66 -6.101 -9.858 3.952 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.522 -8.717 4.638 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -4.100 -8.259 3.048 1.00 0.00 H new ATOM 1060 N TYR A 67 -4.785 -6.408 4.947 1.00 0.00 N ATOM 1061 CA TYR A 67 -5.549 -5.332 5.553 1.00 0.00 C ATOM 1062 C TYR A 67 -5.544 -4.087 4.663 1.00 0.00 C ATOM 1063 O TYR A 67 -4.602 -3.866 3.904 1.00 0.00 O ATOM 1064 CB TYR A 67 -4.844 -5.005 6.871 1.00 0.00 C ATOM 1065 CG TYR A 67 -5.788 -4.546 7.985 1.00 0.00 C ATOM 1066 CD1 TYR A 67 -5.976 -5.338 9.100 1.00 0.00 C ATOM 1067 CD2 TYR A 67 -6.451 -3.341 7.874 1.00 0.00 C ATOM 1068 CE1 TYR A 67 -6.864 -4.906 10.148 1.00 0.00 C ATOM 1069 CE2 TYR A 67 -7.339 -2.910 8.922 1.00 0.00 C ATOM 1070 CZ TYR A 67 -7.502 -3.713 10.007 1.00 0.00 C ATOM 1071 OH TYR A 67 -8.341 -3.305 10.996 1.00 0.00 O ATOM 0 H TYR A 67 -3.806 -6.186 4.765 1.00 0.00 H new ATOM 0 HA TYR A 67 -6.587 -5.632 5.697 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -4.301 -5.888 7.209 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -4.104 -4.225 6.692 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -5.457 -6.281 9.186 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -6.304 -2.722 7.002 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.020 -5.515 11.026 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -7.864 -1.969 8.848 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.033 -3.663 11.855 1.00 0.00 H new ATOM 1081 N ALA A 68 -6.607 -3.306 4.788 1.00 0.00 N ATOM 1082 CA ALA A 68 -6.737 -2.090 4.005 1.00 0.00 C ATOM 1083 C ALA A 68 -6.867 -0.892 4.948 1.00 0.00 C ATOM 1084 O ALA A 68 -7.367 -1.028 6.064 1.00 0.00 O ATOM 1085 CB ALA A 68 -7.932 -2.216 3.058 1.00 0.00 C ATOM 0 H ALA A 68 -7.386 -3.492 5.420 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.850 -1.934 3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -8.029 -1.303 2.471 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -7.779 -3.063 2.389 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -8.841 -2.372 3.638 1.00 0.00 H new ATOM 1091 N LYS A 69 -6.407 0.253 4.466 1.00 0.00 N ATOM 1092 CA LYS A 69 -6.465 1.474 5.253 1.00 0.00 C ATOM 1093 C LYS A 69 -6.821 2.648 4.339 1.00 0.00 C ATOM 1094 O LYS A 69 -6.493 2.638 3.153 1.00 0.00 O ATOM 1095 CB LYS A 69 -5.162 1.672 6.030 1.00 0.00 C ATOM 1096 CG LYS A 69 -5.171 3.004 6.784 1.00 0.00 C ATOM 1097 CD LYS A 69 -4.634 4.135 5.905 1.00 0.00 C ATOM 1098 CE LYS A 69 -3.132 4.333 6.123 1.00 0.00 C ATOM 1099 NZ LYS A 69 -2.850 5.718 6.561 1.00 0.00 N ATOM 0 H LYS A 69 -5.992 0.361 3.540 1.00 0.00 H new ATOM 0 HA LYS A 69 -7.251 1.406 6.005 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.026 0.852 6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -4.317 1.645 5.343 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.186 3.238 7.104 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -4.564 2.920 7.686 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.826 3.908 4.856 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.163 5.060 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.771 3.628 6.872 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.593 4.121 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.103 5.708 7.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.536 6.283 5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.713 6.138 6.961 1.00 0.00 H new ATOM 1112 N ILE A 70 -7.487 3.632 4.926 1.00 0.00 N ATOM 1113 CA ILE A 70 -7.891 4.811 4.179 1.00 0.00 C ATOM 1114 C ILE A 70 -7.688 6.054 5.047 1.00 0.00 C ATOM 1115 O ILE A 70 -8.071 6.069 6.216 1.00 0.00 O ATOM 1116 CB ILE A 70 -9.320 4.652 3.658 1.00 0.00 C ATOM 1117 CG1 ILE A 70 -9.383 3.614 2.535 1.00 0.00 C ATOM 1118 CG2 ILE A 70 -9.900 6.000 3.226 1.00 0.00 C ATOM 1119 CD1 ILE A 70 -10.773 2.983 2.447 1.00 0.00 C ATOM 0 H ILE A 70 -7.757 3.637 5.910 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.266 4.934 3.295 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.941 4.281 4.474 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.134 4.086 1.585 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -8.638 2.838 2.711 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -10.917 5.858 2.860 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -9.913 6.680 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -9.284 6.423 2.432 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.789 2.249 1.641 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -11.010 2.491 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -11.513 3.758 2.247 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.084 7.067 4.444 1.00 0.00 N ATOM 1132 CA TYR A 71 -6.825 8.311 5.148 1.00 0.00 C ATOM 1133 C TYR A 71 -7.617 9.466 4.529 1.00 0.00 C ATOM 1134 O TYR A 71 -7.904 9.455 3.334 1.00 0.00 O ATOM 1135 CB TYR A 71 -5.330 8.586 4.982 1.00 0.00 C ATOM 1136 CG TYR A 71 -4.764 8.155 3.628 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -4.200 6.903 3.483 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -4.817 9.017 2.552 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -3.667 6.497 2.209 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -4.284 8.609 1.277 1.00 0.00 C ATOM 1141 CZ TYR A 71 -3.735 7.370 1.168 1.00 0.00 C ATOM 1142 OH TYR A 71 -3.233 6.986 -0.035 1.00 0.00 O ATOM 0 H TYR A 71 -6.766 7.052 3.475 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.121 8.229 6.194 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.150 9.653 5.116 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.786 8.069 5.773 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -4.159 6.228 4.325 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.258 9.997 2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -3.223 5.521 2.082 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -4.320 9.273 0.426 1.00 0.00 H new ATOM 0 HH TYR A 71 -2.254 7.034 -0.011 1.00 0.00 H new ATOM 1152 N ASN A 72 -7.945 10.435 5.372 1.00 0.00 N ATOM 1153 CA ASN A 72 -8.697 11.594 4.922 1.00 0.00 C ATOM 1154 C ASN A 72 -7.749 12.572 4.225 1.00 0.00 C ATOM 1155 O ASN A 72 -8.125 13.215 3.246 1.00 0.00 O ATOM 1156 CB ASN A 72 -9.344 12.322 6.103 1.00 0.00 C ATOM 1157 CG ASN A 72 -10.727 11.746 6.409 1.00 0.00 C ATOM 1158 OD1 ASN A 72 -11.753 12.323 6.086 1.00 0.00 O ATOM 1159 ND2 ASN A 72 -10.699 10.581 7.050 1.00 0.00 N ATOM 0 H ASN A 72 -7.704 10.441 6.363 1.00 0.00 H new ATOM 0 HA ASN A 72 -9.475 11.249 4.241 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.706 12.234 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -9.430 13.385 5.877 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -11.571 10.116 7.301 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -9.805 10.153 7.291 1.00 0.00 H new ATOM 1166 N ASP A 73 -6.538 12.654 4.757 1.00 0.00 N ATOM 1167 CA ASP A 73 -5.533 13.543 4.199 1.00 0.00 C ATOM 1168 C ASP A 73 -4.148 12.919 4.382 1.00 0.00 C ATOM 1169 O ASP A 73 -3.885 12.267 5.391 1.00 0.00 O ATOM 1170 CB ASP A 73 -5.540 14.898 4.910 1.00 0.00 C ATOM 1171 CG ASP A 73 -6.446 14.977 6.140 1.00 0.00 C ATOM 1172 OD1 ASP A 73 -7.636 14.635 6.081 1.00 0.00 O ATOM 1173 OD2 ASP A 73 -5.875 15.419 7.210 1.00 0.00 O ATOM 0 H ASP A 73 -6.230 12.119 5.569 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.761 13.689 3.143 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.521 15.138 5.212 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -5.851 15.663 4.199 1.00 0.00 H new ATOM 1179 N GLU A 74 -3.299 13.142 3.389 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.947 12.610 3.428 1.00 0.00 C ATOM 1181 C GLU A 74 -1.102 13.382 4.443 1.00 0.00 C ATOM 1182 O GLU A 74 -0.188 12.823 5.048 1.00 0.00 O ATOM 1183 CB GLU A 74 -1.304 12.644 2.040 1.00 0.00 C ATOM 1184 CG GLU A 74 -2.325 12.295 0.955 1.00 0.00 C ATOM 1185 CD GLU A 74 -2.567 13.486 0.026 1.00 0.00 C ATOM 1186 OE1 GLU A 74 -2.723 14.621 0.500 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -2.589 13.200 -1.232 1.00 0.00 O ATOM 0 H GLU A 74 -3.521 13.683 2.553 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.996 11.568 3.744 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -0.891 13.635 1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.473 11.940 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -1.968 11.444 0.375 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -3.265 11.994 1.418 1.00 0.00 H new ATOM 1195 N LYS A 75 -1.436 14.654 4.598 1.00 0.00 N ATOM 1196 CA LYS A 75 -0.719 15.509 5.530 1.00 0.00 C ATOM 1197 C LYS A 75 -0.712 14.854 6.913 1.00 0.00 C ATOM 1198 O LYS A 75 0.306 14.867 7.604 1.00 0.00 O ATOM 1199 CB LYS A 75 -1.306 16.922 5.522 1.00 0.00 C ATOM 1200 CG LYS A 75 -1.502 17.426 4.091 1.00 0.00 C ATOM 1201 CD LYS A 75 -2.946 17.214 3.628 1.00 0.00 C ATOM 1202 CE LYS A 75 -3.688 18.549 3.522 1.00 0.00 C ATOM 1203 NZ LYS A 75 -3.415 19.191 2.216 1.00 0.00 N ATOM 0 H LYS A 75 -2.194 15.114 4.094 1.00 0.00 H new ATOM 0 HA LYS A 75 0.321 15.619 5.223 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.261 16.926 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.643 17.598 6.062 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.251 18.485 4.037 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -0.821 16.902 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -2.952 16.712 2.660 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -3.464 16.560 4.329 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -4.760 18.386 3.637 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.377 19.210 4.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.926 20.095 2.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -2.394 19.364 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.734 18.566 1.448 1.00 0.00 H new ATOM 1216 N ALA A 76 -1.858 14.297 7.276 1.00 0.00 N ATOM 1217 CA ALA A 76 -1.996 13.639 8.564 1.00 0.00 C ATOM 1218 C ALA A 76 -1.295 12.281 8.515 1.00 0.00 C ATOM 1219 O ALA A 76 -0.468 11.973 9.372 1.00 0.00 O ATOM 1220 CB ALA A 76 -3.479 13.518 8.919 1.00 0.00 C ATOM 0 H ALA A 76 -2.700 14.288 6.700 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.520 14.227 9.349 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.583 13.024 9.885 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.923 14.512 8.970 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.989 12.931 8.155 1.00 0.00 H new ATOM 1226 N MET A 77 -1.652 11.503 7.504 1.00 0.00 N ATOM 1227 CA MET A 77 -1.067 10.183 7.332 1.00 0.00 C ATOM 1228 C MET A 77 0.460 10.262 7.291 1.00 0.00 C ATOM 1229 O MET A 77 1.142 9.533 8.010 1.00 0.00 O ATOM 1230 CB MET A 77 -1.583 9.563 6.031 1.00 0.00 C ATOM 1231 CG MET A 77 -0.600 8.518 5.497 1.00 0.00 C ATOM 1232 SD MET A 77 -1.466 7.327 4.486 1.00 0.00 S ATOM 1233 CE MET A 77 -0.799 7.739 2.882 1.00 0.00 C ATOM 0 H MET A 77 -2.339 11.761 6.795 1.00 0.00 H new ATOM 0 HA MET A 77 -1.357 9.563 8.180 1.00 0.00 H new ATOM 0 HB2 MET A 77 -2.554 9.100 6.204 1.00 0.00 H new ATOM 0 HB3 MET A 77 -1.731 10.344 5.285 1.00 0.00 H new ATOM 0 HG2 MET A 77 0.180 9.006 4.912 1.00 0.00 H new ATOM 0 HG3 MET A 77 -0.107 8.013 6.327 1.00 0.00 H new ATOM 0 HE1 MET A 77 -0.828 6.859 2.239 1.00 0.00 H new ATOM 0 HE2 MET A 77 -1.393 8.536 2.435 1.00 0.00 H new ATOM 0 HE3 MET A 77 0.232 8.074 2.992 1.00 0.00 H new ATOM 1243 N ALA A 78 0.953 11.152 6.442 1.00 0.00 N ATOM 1244 CA ALA A 78 2.387 11.334 6.298 1.00 0.00 C ATOM 1245 C ALA A 78 3.027 11.426 7.684 1.00 0.00 C ATOM 1246 O ALA A 78 4.066 10.817 7.934 1.00 0.00 O ATOM 1247 CB ALA A 78 2.661 12.575 5.445 1.00 0.00 C ATOM 0 H ALA A 78 0.385 11.755 5.847 1.00 0.00 H new ATOM 0 HA ALA A 78 2.833 10.481 5.786 1.00 0.00 H new ATOM 0 HB1 ALA A 78 3.737 12.712 5.337 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.211 12.447 4.461 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.231 13.452 5.929 1.00 0.00 H new ATOM 1253 N THR A 79 2.380 12.193 8.549 1.00 0.00 N ATOM 1254 CA THR A 79 2.873 12.373 9.905 1.00 0.00 C ATOM 1255 C THR A 79 2.568 11.135 10.752 1.00 0.00 C ATOM 1256 O THR A 79 3.469 10.556 11.356 1.00 0.00 O ATOM 1257 CB THR A 79 2.260 13.658 10.464 1.00 0.00 C ATOM 1258 OG1 THR A 79 2.958 14.699 9.786 1.00 0.00 O ATOM 1259 CG2 THR A 79 2.605 13.878 11.939 1.00 0.00 C ATOM 0 H THR A 79 1.519 12.697 8.338 1.00 0.00 H new ATOM 0 HA THR A 79 3.958 12.480 9.921 1.00 0.00 H new ATOM 0 HB THR A 79 1.177 13.625 10.345 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.622 15.569 10.088 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.145 14.803 12.286 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.229 13.042 12.529 1.00 0.00 H new ATOM 0 HG23 THR A 79 3.687 13.945 12.054 1.00 0.00 H new ATOM 1267 N ILE A 80 1.295 10.768 10.767 1.00 0.00 N ATOM 1268 CA ILE A 80 0.860 9.610 11.530 1.00 0.00 C ATOM 1269 C ILE A 80 1.884 8.484 11.369 1.00 0.00 C ATOM 1270 O ILE A 80 2.603 8.155 12.311 1.00 0.00 O ATOM 1271 CB ILE A 80 -0.561 9.209 11.131 1.00 0.00 C ATOM 1272 CG1 ILE A 80 -1.598 10.055 11.875 1.00 0.00 C ATOM 1273 CG2 ILE A 80 -0.787 7.711 11.340 1.00 0.00 C ATOM 1274 CD1 ILE A 80 -3.020 9.600 11.538 1.00 0.00 C ATOM 0 H ILE A 80 0.551 11.252 10.264 1.00 0.00 H new ATOM 0 HA ILE A 80 0.813 9.850 12.592 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.686 9.408 10.067 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -1.433 9.978 12.950 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -1.475 11.105 11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -1.805 7.453 11.049 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.081 7.148 10.730 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -0.636 7.463 12.391 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -3.737 10.217 12.079 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -3.190 9.702 10.466 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.147 8.557 11.828 1.00 0.00 H new ATOM 1286 N GLU A 81 1.918 7.926 10.168 1.00 0.00 N ATOM 1287 CA GLU A 81 2.842 6.845 9.872 1.00 0.00 C ATOM 1288 C GLU A 81 4.194 7.408 9.428 1.00 0.00 C ATOM 1289 O GLU A 81 4.347 8.620 9.282 1.00 0.00 O ATOM 1290 CB GLU A 81 2.265 5.905 8.811 1.00 0.00 C ATOM 1291 CG GLU A 81 2.051 4.501 9.381 1.00 0.00 C ATOM 1292 CD GLU A 81 3.292 4.020 10.136 1.00 0.00 C ATOM 1293 OE1 GLU A 81 3.181 3.563 11.283 1.00 0.00 O ATOM 1294 OE2 GLU A 81 4.402 4.135 9.489 1.00 0.00 O ATOM 0 H GLU A 81 1.321 8.202 9.389 1.00 0.00 H new ATOM 0 HA GLU A 81 2.993 6.264 10.782 1.00 0.00 H new ATOM 0 HB2 GLU A 81 1.318 6.301 8.445 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.941 5.856 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 81 1.192 4.504 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 81 1.822 3.807 8.572 1.00 0.00 H new ATOM 1302 N THR A 82 5.139 6.502 9.226 1.00 0.00 N ATOM 1303 CA THR A 82 6.472 6.894 8.802 1.00 0.00 C ATOM 1304 C THR A 82 6.682 6.557 7.324 1.00 0.00 C ATOM 1305 O THR A 82 5.728 6.242 6.614 1.00 0.00 O ATOM 1306 CB THR A 82 7.482 6.213 9.729 1.00 0.00 C ATOM 1307 OG1 THR A 82 7.155 4.829 9.642 1.00 0.00 O ATOM 1308 CG2 THR A 82 7.251 6.560 11.201 1.00 0.00 C ATOM 0 H THR A 82 5.008 5.498 9.348 1.00 0.00 H new ATOM 0 HA THR A 82 6.611 7.972 8.881 1.00 0.00 H new ATOM 0 HB THR A 82 8.492 6.504 9.442 1.00 0.00 H new ATOM 0 HG1 THR A 82 7.763 4.313 10.212 1.00 0.00 H new ATOM 0 HG21 THR A 82 7.994 6.051 11.816 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.342 7.637 11.339 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.253 6.239 11.498 1.00 0.00 H new ATOM 1316 N LYS A 83 7.937 6.637 6.905 1.00 0.00 N ATOM 1317 CA LYS A 83 8.284 6.344 5.524 1.00 0.00 C ATOM 1318 C LYS A 83 8.071 4.853 5.253 1.00 0.00 C ATOM 1319 O LYS A 83 7.815 4.455 4.119 1.00 0.00 O ATOM 1320 CB LYS A 83 9.701 6.830 5.213 1.00 0.00 C ATOM 1321 CG LYS A 83 10.747 5.894 5.822 1.00 0.00 C ATOM 1322 CD LYS A 83 11.298 6.465 7.131 1.00 0.00 C ATOM 1323 CE LYS A 83 12.675 7.097 6.916 1.00 0.00 C ATOM 1324 NZ LYS A 83 12.549 8.384 6.198 1.00 0.00 N ATOM 0 H LYS A 83 8.725 6.900 7.497 1.00 0.00 H new ATOM 0 HA LYS A 83 7.629 6.888 4.843 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.842 6.885 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 83 9.838 7.838 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.302 4.916 6.006 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.563 5.745 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.609 7.212 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.370 5.673 7.876 1.00 0.00 H new ATOM 0 HE2 LYS A 83 13.162 7.257 7.878 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.309 6.417 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.493 8.799 6.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.104 8.223 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 11.962 9.037 6.756 1.00 0.00 H new ATOM 1337 N SER A 84 8.187 4.070 6.316 1.00 0.00 N ATOM 1338 CA SER A 84 8.012 2.631 6.207 1.00 0.00 C ATOM 1339 C SER A 84 6.641 2.315 5.606 1.00 0.00 C ATOM 1340 O SER A 84 6.534 1.505 4.687 1.00 0.00 O ATOM 1341 CB SER A 84 8.162 1.954 7.571 1.00 0.00 C ATOM 1342 OG SER A 84 9.228 1.008 7.582 1.00 0.00 O ATOM 0 H SER A 84 8.400 4.404 7.256 1.00 0.00 H new ATOM 0 HA SER A 84 8.789 2.240 5.550 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.341 2.711 8.334 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.230 1.453 7.832 1.00 0.00 H new ATOM 0 HG SER A 84 9.293 0.599 8.470 1.00 0.00 H new ATOM 1348 N VAL A 85 5.626 2.973 6.149 1.00 0.00 N ATOM 1349 CA VAL A 85 4.267 2.771 5.677 1.00 0.00 C ATOM 1350 C VAL A 85 4.051 3.581 4.397 1.00 0.00 C ATOM 1351 O VAL A 85 3.621 3.038 3.380 1.00 0.00 O ATOM 1352 CB VAL A 85 3.271 3.126 6.784 1.00 0.00 C ATOM 1353 CG1 VAL A 85 1.904 3.484 6.197 1.00 0.00 C ATOM 1354 CG2 VAL A 85 3.153 1.988 7.800 1.00 0.00 C ATOM 0 H VAL A 85 5.718 3.645 6.910 1.00 0.00 H new ATOM 0 HA VAL A 85 4.100 1.722 5.431 1.00 0.00 H new ATOM 0 HB VAL A 85 3.650 4.004 7.308 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.215 3.732 7.004 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.007 4.341 5.532 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.515 2.634 5.636 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.439 2.265 8.576 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.809 1.085 7.296 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.127 1.802 8.253 1.00 0.00 H new ATOM 1364 N LEU A 86 4.359 4.867 4.489 1.00 0.00 N ATOM 1365 CA LEU A 86 4.204 5.756 3.351 1.00 0.00 C ATOM 1366 C LEU A 86 4.985 5.196 2.161 1.00 0.00 C ATOM 1367 O LEU A 86 4.707 5.540 1.013 1.00 0.00 O ATOM 1368 CB LEU A 86 4.600 7.185 3.729 1.00 0.00 C ATOM 1369 CG LEU A 86 3.919 7.762 4.972 1.00 0.00 C ATOM 1370 CD1 LEU A 86 4.752 8.894 5.576 1.00 0.00 C ATOM 1371 CD2 LEU A 86 2.490 8.207 4.658 1.00 0.00 C ATOM 0 H LEU A 86 4.715 5.314 5.334 1.00 0.00 H new ATOM 0 HA LEU A 86 3.158 5.809 3.049 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.679 7.213 3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.382 7.837 2.883 1.00 0.00 H new ATOM 0 HG LEU A 86 3.853 6.974 5.722 1.00 0.00 H new ATOM 0 HD11 LEU A 86 4.246 9.287 6.458 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.733 8.513 5.860 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.871 9.690 4.841 1.00 0.00 H new ATOM 0 HD21 LEU A 86 2.029 8.613 5.559 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.510 8.973 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 86 1.911 7.352 4.308 1.00 0.00 H new ATOM 1383 N GLU A 87 5.947 4.340 2.476 1.00 0.00 N ATOM 1384 CA GLU A 87 6.771 3.729 1.446 1.00 0.00 C ATOM 1385 C GLU A 87 5.901 2.926 0.478 1.00 0.00 C ATOM 1386 O GLU A 87 5.960 3.133 -0.734 1.00 0.00 O ATOM 1387 CB GLU A 87 7.859 2.850 2.066 1.00 0.00 C ATOM 1388 CG GLU A 87 9.203 3.582 2.099 1.00 0.00 C ATOM 1389 CD GLU A 87 10.226 2.891 1.196 1.00 0.00 C ATOM 1390 OE1 GLU A 87 10.282 3.177 -0.009 1.00 0.00 O ATOM 1391 OE2 GLU A 87 10.982 2.030 1.788 1.00 0.00 O ATOM 0 H GLU A 87 6.174 4.055 3.429 1.00 0.00 H new ATOM 0 HA GLU A 87 7.266 4.522 0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 87 7.570 2.567 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 87 7.957 1.928 1.493 1.00 0.00 H new ATOM 0 HG2 GLU A 87 9.067 4.614 1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 87 9.579 3.614 3.122 1.00 0.00 H new ATOM 1399 N LYS A 88 5.114 2.025 1.048 1.00 0.00 N ATOM 1400 CA LYS A 88 4.234 1.189 0.251 1.00 0.00 C ATOM 1401 C LYS A 88 3.387 2.075 -0.666 1.00 0.00 C ATOM 1402 O LYS A 88 3.070 1.688 -1.789 1.00 0.00 O ATOM 1403 CB LYS A 88 3.407 0.269 1.152 1.00 0.00 C ATOM 1404 CG LYS A 88 2.349 1.062 1.921 1.00 0.00 C ATOM 1405 CD LYS A 88 2.429 0.771 3.422 1.00 0.00 C ATOM 1406 CE LYS A 88 1.910 -0.633 3.736 1.00 0.00 C ATOM 1407 NZ LYS A 88 1.809 -0.833 5.199 1.00 0.00 N ATOM 0 H LYS A 88 5.068 1.856 2.053 1.00 0.00 H new ATOM 0 HA LYS A 88 4.816 0.529 -0.392 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.923 -0.499 0.548 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.064 -0.244 1.854 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.490 2.129 1.746 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.357 0.806 1.550 1.00 0.00 H new ATOM 0 HD2 LYS A 88 3.461 0.865 3.760 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.845 1.510 3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.933 -0.778 3.275 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.579 -1.379 3.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.361 -1.751 5.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.761 -0.817 5.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.235 -0.072 5.615 1.00 0.00 H new ATOM 1420 N ASN A 89 3.045 3.248 -0.150 1.00 0.00 N ATOM 1421 CA ASN A 89 2.241 4.191 -0.909 1.00 0.00 C ATOM 1422 C ASN A 89 3.137 5.324 -1.417 1.00 0.00 C ATOM 1423 O ASN A 89 2.709 6.474 -1.485 1.00 0.00 O ATOM 1424 CB ASN A 89 1.149 4.810 -0.034 1.00 0.00 C ATOM 1425 CG ASN A 89 0.159 5.613 -0.881 1.00 0.00 C ATOM 1426 OD1 ASN A 89 -0.131 6.768 -0.616 1.00 0.00 O ATOM 1427 ND2 ASN A 89 -0.342 4.940 -1.912 1.00 0.00 N ATOM 0 H ASN A 89 3.310 3.566 0.782 1.00 0.00 H new ATOM 0 HA ASN A 89 1.780 3.653 -1.737 1.00 0.00 H new ATOM 0 HB2 ASN A 89 0.619 4.024 0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 89 1.602 5.459 0.715 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -1.011 5.389 -2.537 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -0.057 3.975 -2.078 1.00 0.00 H new ATOM 1434 N LYS A 90 4.363 4.957 -1.761 1.00 0.00 N ATOM 1435 CA LYS A 90 5.322 5.926 -2.261 1.00 0.00 C ATOM 1436 C LYS A 90 4.624 6.867 -3.245 1.00 0.00 C ATOM 1437 O LYS A 90 3.537 6.563 -3.735 1.00 0.00 O ATOM 1438 CB LYS A 90 6.543 5.217 -2.849 1.00 0.00 C ATOM 1439 CG LYS A 90 7.840 5.774 -2.256 1.00 0.00 C ATOM 1440 CD LYS A 90 9.049 4.960 -2.720 1.00 0.00 C ATOM 1441 CE LYS A 90 9.390 5.268 -4.179 1.00 0.00 C ATOM 1442 NZ LYS A 90 10.856 5.351 -4.363 1.00 0.00 N ATOM 0 H LYS A 90 4.714 4.001 -1.703 1.00 0.00 H new ATOM 0 HA LYS A 90 5.702 6.542 -1.446 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.478 4.147 -2.650 1.00 0.00 H new ATOM 0 HB3 LYS A 90 6.552 5.339 -3.932 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.962 6.815 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.783 5.758 -1.168 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.908 5.184 -2.087 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.840 3.896 -2.608 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.980 4.492 -4.826 1.00 0.00 H new ATOM 0 HE3 LYS A 90 8.927 6.209 -4.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 11.070 5.561 -5.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.239 6.107 -3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 11.291 4.444 -4.099 1.00 0.00 H new ATOM 1455 N ILE A 91 5.277 7.990 -3.505 1.00 0.00 N ATOM 1456 CA ILE A 91 4.731 8.977 -4.421 1.00 0.00 C ATOM 1457 C ILE A 91 4.252 8.275 -5.694 1.00 0.00 C ATOM 1458 O ILE A 91 3.064 7.993 -5.841 1.00 0.00 O ATOM 1459 CB ILE A 91 5.750 10.089 -4.679 1.00 0.00 C ATOM 1460 CG1 ILE A 91 6.033 10.881 -3.400 1.00 0.00 C ATOM 1461 CG2 ILE A 91 5.295 10.994 -5.825 1.00 0.00 C ATOM 1462 CD1 ILE A 91 7.528 10.876 -3.072 1.00 0.00 C ATOM 0 H ILE A 91 6.179 8.238 -3.098 1.00 0.00 H new ATOM 0 HA ILE A 91 3.863 9.467 -3.980 1.00 0.00 H new ATOM 0 HB ILE A 91 6.689 9.628 -4.986 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.687 11.908 -3.519 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.473 10.450 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 91 6.037 11.776 -5.988 1.00 0.00 H new ATOM 0 HG22 ILE A 91 5.186 10.403 -6.734 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.338 11.449 -5.571 1.00 0.00 H new ATOM 0 HD11 ILE A 91 7.702 11.445 -2.159 1.00 0.00 H new ATOM 0 HD12 ILE A 91 7.866 9.850 -2.929 1.00 0.00 H new ATOM 0 HD13 ILE A 91 8.082 11.329 -3.894 1.00 0.00 H new ATOM 1474 N GLU A 92 5.201 8.016 -6.581 1.00 0.00 N ATOM 1475 CA GLU A 92 4.891 7.352 -7.836 1.00 0.00 C ATOM 1476 C GLU A 92 6.176 7.046 -8.607 1.00 0.00 C ATOM 1477 O GLU A 92 7.212 7.662 -8.362 1.00 0.00 O ATOM 1478 CB GLU A 92 3.933 8.196 -8.680 1.00 0.00 C ATOM 1479 CG GLU A 92 2.916 7.312 -9.404 1.00 0.00 C ATOM 1480 CD GLU A 92 1.541 7.399 -8.740 1.00 0.00 C ATOM 1481 OE1 GLU A 92 0.796 8.360 -8.979 1.00 0.00 O ATOM 1482 OE2 GLU A 92 1.256 6.421 -7.948 1.00 0.00 O ATOM 0 H GLU A 92 6.185 8.254 -6.456 1.00 0.00 H new ATOM 0 HA GLU A 92 4.392 6.409 -7.612 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.411 8.908 -8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.499 8.776 -9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 92 2.840 7.619 -10.447 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.260 6.278 -9.400 1.00 0.00 H new ATOM 1490 N GLU A 93 6.066 6.095 -9.522 1.00 0.00 N ATOM 1491 CA GLU A 93 7.208 5.700 -10.331 1.00 0.00 C ATOM 1492 C GLU A 93 6.820 5.652 -11.810 1.00 0.00 C ATOM 1493 O GLU A 93 5.668 5.903 -12.161 1.00 0.00 O ATOM 1494 CB GLU A 93 7.767 4.353 -9.868 1.00 0.00 C ATOM 1495 CG GLU A 93 6.670 3.286 -9.831 1.00 0.00 C ATOM 1496 CD GLU A 93 7.270 1.880 -9.887 1.00 0.00 C ATOM 1497 OE1 GLU A 93 8.424 1.682 -9.479 1.00 0.00 O ATOM 1498 OE2 GLU A 93 6.492 0.974 -10.374 1.00 0.00 O ATOM 0 H GLU A 93 5.205 5.586 -9.722 1.00 0.00 H new ATOM 0 HA GLU A 93 7.993 6.446 -10.205 1.00 0.00 H new ATOM 0 HB2 GLU A 93 8.565 4.036 -10.540 1.00 0.00 H new ATOM 0 HB3 GLU A 93 8.209 4.460 -8.877 1.00 0.00 H new ATOM 0 HG2 GLU A 93 6.080 3.397 -8.921 1.00 0.00 H new ATOM 0 HG3 GLU A 93 5.990 3.429 -10.671 1.00 0.00 H new ATOM 1506 N GLU A 94 7.803 5.330 -12.638 1.00 0.00 N ATOM 1507 CA GLU A 94 7.579 5.247 -14.071 1.00 0.00 C ATOM 1508 C GLU A 94 6.922 3.912 -14.428 1.00 0.00 C ATOM 1509 O GLU A 94 6.177 3.348 -13.628 1.00 0.00 O ATOM 1510 CB GLU A 94 8.886 5.439 -14.842 1.00 0.00 C ATOM 1511 CG GLU A 94 9.792 4.214 -14.698 1.00 0.00 C ATOM 1512 CD GLU A 94 10.146 3.630 -16.067 1.00 0.00 C ATOM 1513 OE1 GLU A 94 10.199 4.368 -17.062 1.00 0.00 O ATOM 1514 OE2 GLU A 94 10.369 2.359 -16.075 1.00 0.00 O ATOM 0 H GLU A 94 8.757 5.123 -12.343 1.00 0.00 H new ATOM 0 HA GLU A 94 6.903 6.052 -14.361 1.00 0.00 H new ATOM 0 HB2 GLU A 94 8.669 5.613 -15.896 1.00 0.00 H new ATOM 0 HB3 GLU A 94 9.404 6.324 -14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 94 10.704 4.492 -14.170 1.00 0.00 H new ATOM 0 HG3 GLU A 94 9.292 3.457 -14.094 1.00 0.00 H new ATOM 1522 N ALA A 95 7.222 3.446 -15.632 1.00 0.00 N ATOM 1523 CA ALA A 95 6.669 2.188 -16.105 1.00 0.00 C ATOM 1524 C ALA A 95 5.149 2.314 -16.220 1.00 0.00 C ATOM 1525 O ALA A 95 4.426 2.034 -15.265 1.00 0.00 O ATOM 1526 CB ALA A 95 7.092 1.058 -15.165 1.00 0.00 C ATOM 0 H ALA A 95 7.840 3.916 -16.293 1.00 0.00 H new ATOM 0 HA ALA A 95 7.055 1.948 -17.096 1.00 0.00 H new ATOM 0 HB1 ALA A 95 6.677 0.115 -15.520 1.00 0.00 H new ATOM 0 HB2 ALA A 95 8.180 0.991 -15.143 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.721 1.262 -14.161 1.00 0.00 H new ATOM 1532 N GLU A 96 4.709 2.737 -17.396 1.00 0.00 N ATOM 1533 CA GLU A 96 3.288 2.903 -17.648 1.00 0.00 C ATOM 1534 C GLU A 96 2.495 1.774 -16.985 1.00 0.00 C ATOM 1535 O GLU A 96 1.668 2.022 -16.110 1.00 0.00 O ATOM 1536 CB GLU A 96 3.000 2.968 -19.149 1.00 0.00 C ATOM 1537 CG GLU A 96 3.316 4.356 -19.709 1.00 0.00 C ATOM 1538 CD GLU A 96 2.632 4.572 -21.060 1.00 0.00 C ATOM 1539 OE1 GLU A 96 1.647 5.321 -21.143 1.00 0.00 O ATOM 1540 OE2 GLU A 96 3.159 3.930 -22.046 1.00 0.00 O ATOM 0 H GLU A 96 5.312 2.970 -18.185 1.00 0.00 H new ATOM 0 HA GLU A 96 2.970 3.849 -17.210 1.00 0.00 H new ATOM 0 HB2 GLU A 96 3.595 2.218 -19.670 1.00 0.00 H new ATOM 0 HB3 GLU A 96 1.953 2.728 -19.333 1.00 0.00 H new ATOM 0 HG2 GLU A 96 2.986 5.120 -19.005 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.394 4.470 -19.821 1.00 0.00 H new ATOM 1548 N ALA A 97 2.777 0.558 -17.429 1.00 0.00 N ATOM 1549 CA ALA A 97 2.101 -0.610 -16.890 1.00 0.00 C ATOM 1550 C ALA A 97 3.022 -1.827 -17.008 1.00 0.00 C ATOM 1551 O ALA A 97 3.500 -2.143 -18.096 1.00 0.00 O ATOM 1552 CB ALA A 97 0.771 -0.812 -17.620 1.00 0.00 C ATOM 0 H ALA A 97 3.464 0.356 -18.155 1.00 0.00 H new ATOM 0 HA ALA A 97 1.875 -0.469 -15.833 1.00 0.00 H new ATOM 0 HB1 ALA A 97 0.264 -1.688 -17.216 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.142 0.068 -17.481 1.00 0.00 H new ATOM 0 HB3 ALA A 97 0.958 -0.960 -18.684 1.00 0.00 H new ATOM 1558 N GLU A 98 3.242 -2.474 -15.875 1.00 0.00 N ATOM 1559 CA GLU A 98 4.096 -3.649 -15.837 1.00 0.00 C ATOM 1560 C GLU A 98 3.944 -4.374 -14.499 1.00 0.00 C ATOM 1561 O GLU A 98 3.603 -5.556 -14.464 1.00 0.00 O ATOM 1562 CB GLU A 98 5.557 -3.274 -16.093 1.00 0.00 C ATOM 1563 CG GLU A 98 6.324 -4.444 -16.713 1.00 0.00 C ATOM 1564 CD GLU A 98 7.751 -4.031 -17.078 1.00 0.00 C ATOM 1565 OE1 GLU A 98 8.081 -3.931 -18.269 1.00 0.00 O ATOM 1566 OE2 GLU A 98 8.529 -3.812 -16.073 1.00 0.00 O ATOM 0 H GLU A 98 2.844 -2.207 -14.975 1.00 0.00 H new ATOM 0 HA GLU A 98 3.783 -4.326 -16.632 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.603 -2.411 -16.758 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.030 -2.980 -15.156 1.00 0.00 H new ATOM 0 HG2 GLU A 98 6.351 -5.278 -16.012 1.00 0.00 H new ATOM 0 HG3 GLU A 98 5.803 -4.793 -17.605 1.00 0.00 H new ATOM 1574 N VAL A 99 4.204 -3.637 -13.430 1.00 0.00 N ATOM 1575 CA VAL A 99 4.100 -4.195 -12.092 1.00 0.00 C ATOM 1576 C VAL A 99 4.834 -5.537 -12.045 1.00 0.00 C ATOM 1577 O VAL A 99 5.398 -5.975 -13.047 1.00 0.00 O ATOM 1578 CB VAL A 99 2.630 -4.304 -11.682 1.00 0.00 C ATOM 1579 CG1 VAL A 99 1.971 -2.923 -11.636 1.00 0.00 C ATOM 1580 CG2 VAL A 99 1.869 -5.243 -12.619 1.00 0.00 C ATOM 0 H VAL A 99 4.487 -2.658 -13.463 1.00 0.00 H new ATOM 0 HA VAL A 99 4.578 -3.537 -11.366 1.00 0.00 H new ATOM 0 HB VAL A 99 2.591 -4.728 -10.679 1.00 0.00 H new ATOM 0 HG11 VAL A 99 0.927 -3.028 -11.342 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.491 -2.296 -10.912 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.026 -2.461 -12.622 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.827 -5.303 -12.306 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.920 -4.860 -13.638 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.317 -6.236 -12.582 1.00 0.00 H new ATOM 1590 N ALA A 100 4.803 -6.152 -10.873 1.00 0.00 N ATOM 1591 CA ALA A 100 5.458 -7.435 -10.682 1.00 0.00 C ATOM 1592 C ALA A 100 5.273 -7.887 -9.231 1.00 0.00 C ATOM 1593 O ALA A 100 4.703 -7.160 -8.419 1.00 0.00 O ATOM 1594 CB ALA A 100 6.932 -7.319 -11.074 1.00 0.00 C ATOM 0 H ALA A 100 4.334 -5.786 -10.045 1.00 0.00 H new ATOM 0 HA ALA A 100 5.009 -8.194 -11.323 1.00 0.00 H new ATOM 0 HB1 ALA A 100 7.423 -8.281 -10.931 1.00 0.00 H new ATOM 0 HB2 ALA A 100 7.008 -7.025 -12.121 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.416 -6.568 -10.450 1.00 0.00 H new ATOM 1600 N GLU A 101 5.769 -9.083 -8.951 1.00 0.00 N ATOM 1601 CA GLU A 101 5.666 -9.640 -7.612 1.00 0.00 C ATOM 1602 C GLU A 101 6.159 -8.628 -6.577 1.00 0.00 C ATOM 1603 O GLU A 101 6.732 -7.599 -6.933 1.00 0.00 O ATOM 1604 CB GLU A 101 6.439 -10.955 -7.505 1.00 0.00 C ATOM 1605 CG GLU A 101 5.914 -11.808 -6.349 1.00 0.00 C ATOM 1606 CD GLU A 101 6.174 -13.295 -6.602 1.00 0.00 C ATOM 1607 OE1 GLU A 101 6.914 -13.933 -5.840 1.00 0.00 O ATOM 1608 OE2 GLU A 101 5.573 -13.786 -7.632 1.00 0.00 O ATOM 0 H GLU A 101 6.243 -9.682 -9.627 1.00 0.00 H new ATOM 0 HA GLU A 101 4.617 -9.856 -7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 101 6.351 -11.509 -8.439 1.00 0.00 H new ATOM 0 HB3 GLU A 101 7.499 -10.747 -7.356 1.00 0.00 H new ATOM 0 HG2 GLU A 101 6.396 -11.504 -5.420 1.00 0.00 H new ATOM 0 HG3 GLU A 101 4.845 -11.638 -6.224 1.00 0.00 H new ATOM 1616 N GLU A 102 5.918 -8.955 -5.317 1.00 0.00 N ATOM 1617 CA GLU A 102 6.331 -8.086 -4.226 1.00 0.00 C ATOM 1618 C GLU A 102 6.107 -6.621 -4.601 1.00 0.00 C ATOM 1619 O GLU A 102 6.587 -5.720 -3.915 1.00 0.00 O ATOM 1620 CB GLU A 102 7.792 -8.339 -3.847 1.00 0.00 C ATOM 1621 CG GLU A 102 7.896 -9.363 -2.715 1.00 0.00 C ATOM 1622 CD GLU A 102 8.714 -8.808 -1.547 1.00 0.00 C ATOM 1623 OE1 GLU A 102 9.794 -8.237 -1.762 1.00 0.00 O ATOM 1624 OE2 GLU A 102 8.190 -8.985 -0.382 1.00 0.00 O ATOM 0 H GLU A 102 5.442 -9.809 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 102 5.719 -8.314 -3.353 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.340 -8.698 -4.718 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.259 -7.403 -3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 102 6.898 -9.631 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 102 8.360 -10.276 -3.087 1.00 0.00 H new TER 1632 GLU A 102