USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 919 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 3 HIS :FLIP no HD1:sc=-0.00794 F(o=-0.73,f=-0.016) USER MOD Set 1.2: A 103 THR OG1 : rot 92:sc=-0.00836 USER MOD Set 2.1: A 101 LYS NZ :NH3+ 157:sc= -0.156 (180deg=-0.673) USER MOD Set 2.2: A 105 GLN :FLIP amide:sc= -0.529 F(o=-2.2,f=-0.68) USER MOD Set 3.1: A 93 ASN : amide:sc= -3.72! C(o=-3.5!,f=-17!) USER MOD Set 3.2: A 95 THR OG1 : rot 93:sc= 0.265 USER MOD Set 4.1: A 71 LYS NZ :NH3+ -122:sc= -0.0217 (180deg=0) USER MOD Set 4.2: A 83 LYS NZ :NH3+ 180:sc= -0.0242 (180deg=0) USER MOD Set 5.1: A 59 MET CE :methyl -164:sc= 0 (180deg=0) USER MOD Set 5.2: A 90 SER OG : rot -170:sc= -0.0118 USER MOD Set 6.1: A 19 ASN : amide:sc= -0.51 K(o=-0.66,f=-4.6!) USER MOD Set 6.2: A 28 THR OG1 : rot -168:sc= -0.154 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0.291 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= -0.94 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.0895 USER MOD Single : A 32 THR OG1 : rot 80:sc= 0.00542 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 HIS :FLIP no HD1:sc= -1.85 F(o=-3.4,f=-1.9) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 160:sc= -1.58 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.018 USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0265) USER MOD Single : A 49 GLN : amide:sc= -1.49 K(o=-1.5,f=-4.7!) USER MOD Single : A 51 THR OG1 : rot 90:sc= 0.589 USER MOD Single : A 54 SER OG : rot -37:sc= 0.19 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00646) USER MOD Single : A 58 MET CE :methyl -173:sc= -2.48 (180deg=-2.52) USER MOD Single : A 65 LYS NZ :NH3+ 170:sc= 0.49 (180deg=0.469) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0131) USER MOD Single : A 75 ASN : amide:sc= -0.299 X(o=-0.3,f=-0.052) USER MOD Single : A 78 ASN :FLIP amide:sc= -0.881 F(o=-3.9,f=-0.88) USER MOD Single : A 85 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.22) USER MOD Single : A 87 HIS : no HE2:sc= 0.409 K(o=0.41,f=-1.5) USER MOD Single : A 88 MET CE :methyl -115:sc= -2.07 (180deg=-5.66!) USER MOD Single : A 92 ASN : amide:sc= -0.475 X(o=-0.48,f=-0.67) USER MOD Single : A 97 MET CE :methyl -146:sc= -0.482 (180deg=-0.98) USER MOD Single : A 99 ASN : amide:sc= -0.629 X(o=-0.63,f=-0.48) USER MOD Single : A 102 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.27) USER MOD Single : A 109 SER OG : rot 180:sc= 0 USER MOD Single : A 111 TYR OH : rot 70:sc= -2.73 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= -0.0848 (180deg=-0.0848) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -10.875 8.523 8.053 1.00 0.00 N ATOM 2 CA PRO A 1 -11.945 8.516 7.037 1.00 0.00 C ATOM 3 C PRO A 1 -11.416 8.882 5.653 1.00 0.00 C ATOM 4 O PRO A 1 -10.787 9.926 5.474 1.00 0.00 O ATOM 5 CB PRO A 1 -12.988 9.527 7.498 1.00 0.00 C ATOM 6 CG PRO A 1 -12.648 9.792 8.936 1.00 0.00 C ATOM 7 CD PRO A 1 -11.169 9.507 9.106 1.00 0.00 C ATOM 0 H2 PRO A 1 -9.982 8.744 7.613 1.00 0.00 H new ATOM 0 H3 PRO A 1 -10.783 7.594 8.464 1.00 0.00 H new ATOM 0 HA PRO A 1 -12.371 7.517 6.944 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -12.944 10.441 6.905 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -13.998 9.129 7.396 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -12.874 10.825 9.201 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -13.240 9.157 9.595 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.572 10.411 8.986 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -10.950 9.109 10.097 1.00 0.00 H new ATOM 17 N SER A 2 -11.675 8.015 4.677 1.00 0.00 N ATOM 18 CA SER A 2 -11.227 8.242 3.305 1.00 0.00 C ATOM 19 C SER A 2 -9.709 8.138 3.203 1.00 0.00 C ATOM 20 O SER A 2 -9.181 7.214 2.583 1.00 0.00 O ATOM 21 CB SER A 2 -11.691 9.614 2.810 1.00 0.00 C ATOM 22 OG SER A 2 -11.518 9.737 1.409 1.00 0.00 O ATOM 0 H SER A 2 -12.194 7.147 4.811 1.00 0.00 H new ATOM 0 HA SER A 2 -11.669 7.470 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.741 9.759 3.064 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.129 10.397 3.319 1.00 0.00 H new ATOM 0 HG SER A 2 -11.824 10.622 1.118 1.00 0.00 H new ATOM 28 N HIS A 3 -9.012 9.090 3.814 1.00 0.00 N ATOM 29 CA HIS A 3 -7.553 9.104 3.791 1.00 0.00 C ATOM 30 C HIS A 3 -6.978 8.499 5.068 1.00 0.00 C ATOM 31 O HIS A 3 -5.876 8.848 5.490 1.00 0.00 O ATOM 32 CB HIS A 3 -7.039 10.534 3.614 1.00 0.00 C ATOM 33 CG HIS A 3 -7.043 10.999 2.192 1.00 0.00 C ATOM 34 ND1 HIS A 3 -6.032 11.127 1.299 1.00 0.00 N flip ATOM 35 CD2 HIS A 3 -8.187 11.398 1.533 1.00 0.00 C flip ATOM 36 CE1 HIS A 3 -6.580 11.596 0.130 1.00 0.00 C flip ATOM 37 NE2 HIS A 3 -7.880 11.750 0.296 1.00 0.00 N flip ATOM 0 H HIS A 3 -9.433 9.862 4.331 1.00 0.00 H new ATOM 0 HA HIS A 3 -7.224 8.498 2.946 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -7.654 11.209 4.210 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -6.024 10.598 4.006 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -9.179 11.420 1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -6.035 11.805 -0.779 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -8.536 12.084 -0.410 1.00 0.00 H new ATOM 46 N SER A 4 -7.733 7.591 5.680 1.00 0.00 N ATOM 47 CA SER A 4 -7.296 6.939 6.909 1.00 0.00 C ATOM 48 C SER A 4 -8.298 5.876 7.346 1.00 0.00 C ATOM 49 O SER A 4 -9.460 6.177 7.620 1.00 0.00 O ATOM 50 CB SER A 4 -7.111 7.973 8.022 1.00 0.00 C ATOM 51 OG SER A 4 -8.291 8.737 8.210 1.00 0.00 O ATOM 0 H SER A 4 -8.649 7.291 5.345 1.00 0.00 H new ATOM 0 HA SER A 4 -6.340 6.452 6.713 1.00 0.00 H new ATOM 0 HB2 SER A 4 -6.849 7.468 8.952 1.00 0.00 H new ATOM 0 HB3 SER A 4 -6.281 8.635 7.774 1.00 0.00 H new ATOM 0 HG SER A 4 -8.148 9.389 8.927 1.00 0.00 H new ATOM 57 N GLY A 5 -7.836 4.633 7.408 1.00 0.00 N ATOM 58 CA GLY A 5 -8.696 3.538 7.813 1.00 0.00 C ATOM 59 C GLY A 5 -7.902 2.358 8.329 1.00 0.00 C ATOM 60 O GLY A 5 -6.704 2.247 8.064 1.00 0.00 O ATOM 0 H GLY A 5 -6.878 4.364 7.184 1.00 0.00 H new ATOM 0 HA2 GLY A 5 -9.381 3.882 8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 5 -9.306 3.223 6.966 1.00 0.00 H new ATOM 64 N ALA A 6 -8.560 1.475 9.072 1.00 0.00 N ATOM 65 CA ALA A 6 -7.887 0.309 9.622 1.00 0.00 C ATOM 66 C ALA A 6 -7.550 -0.702 8.536 1.00 0.00 C ATOM 67 O ALA A 6 -8.359 -0.975 7.648 1.00 0.00 O ATOM 68 CB ALA A 6 -8.731 -0.347 10.696 1.00 0.00 C ATOM 0 H ALA A 6 -9.551 1.545 9.305 1.00 0.00 H new ATOM 0 HA ALA A 6 -6.955 0.654 10.069 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -8.206 -1.216 11.091 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.912 0.365 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.683 -0.662 10.269 1.00 0.00 H new ATOM 74 N ALA A 7 -6.349 -1.254 8.620 1.00 0.00 N ATOM 75 CA ALA A 7 -5.889 -2.242 7.654 1.00 0.00 C ATOM 76 C ALA A 7 -4.854 -3.186 8.264 1.00 0.00 C ATOM 77 O ALA A 7 -4.055 -2.781 9.105 1.00 0.00 O ATOM 78 CB ALA A 7 -5.311 -1.549 6.430 1.00 0.00 C ATOM 0 H ALA A 7 -5.672 -1.034 9.350 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.749 -2.841 7.355 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -4.970 -2.298 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -6.078 -0.928 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.470 -0.924 6.729 1.00 0.00 H new ATOM 84 N ILE A 8 -4.875 -4.448 7.832 1.00 0.00 N ATOM 85 CA ILE A 8 -3.937 -5.443 8.335 1.00 0.00 C ATOM 86 C ILE A 8 -2.742 -5.593 7.409 1.00 0.00 C ATOM 87 O ILE A 8 -2.875 -5.544 6.187 1.00 0.00 O ATOM 88 CB ILE A 8 -4.597 -6.825 8.467 1.00 0.00 C ATOM 89 CG1 ILE A 8 -5.894 -6.731 9.251 1.00 0.00 C ATOM 90 CG2 ILE A 8 -3.654 -7.827 9.124 1.00 0.00 C ATOM 91 CD1 ILE A 8 -6.750 -7.954 9.073 1.00 0.00 C ATOM 0 H ILE A 8 -5.532 -4.801 7.136 1.00 0.00 H new ATOM 0 HA ILE A 8 -3.614 -5.088 9.314 1.00 0.00 H new ATOM 0 HB ILE A 8 -4.823 -7.180 7.461 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -5.669 -6.597 10.309 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -6.449 -5.850 8.929 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.149 -8.795 9.203 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -2.753 -7.929 8.519 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.385 -7.474 10.120 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -7.667 -7.843 9.651 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -6.998 -8.074 8.018 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -6.206 -8.833 9.420 1.00 0.00 H new ATOM 103 N PHE A 9 -1.580 -5.805 8.004 1.00 0.00 N ATOM 104 CA PHE A 9 -0.357 -5.997 7.245 1.00 0.00 C ATOM 105 C PHE A 9 0.538 -7.011 7.946 1.00 0.00 C ATOM 106 O PHE A 9 1.141 -6.714 8.975 1.00 0.00 O ATOM 107 CB PHE A 9 0.375 -4.669 7.058 1.00 0.00 C ATOM 108 CG PHE A 9 1.656 -4.795 6.287 1.00 0.00 C ATOM 109 CD1 PHE A 9 1.662 -5.331 5.010 1.00 0.00 C ATOM 110 CD2 PHE A 9 2.854 -4.379 6.841 1.00 0.00 C ATOM 111 CE1 PHE A 9 2.841 -5.449 4.299 1.00 0.00 C ATOM 112 CE2 PHE A 9 4.037 -4.494 6.136 1.00 0.00 C ATOM 113 CZ PHE A 9 4.030 -5.030 4.862 1.00 0.00 C ATOM 0 H PHE A 9 -1.459 -5.849 9.016 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.614 -6.382 6.258 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.283 -3.970 6.542 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.590 -4.241 8.037 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.735 -5.660 4.565 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.865 -3.959 7.836 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.832 -5.869 3.304 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.965 -4.166 6.580 1.00 0.00 H new ATOM 0 HZ PHE A 9 4.953 -5.121 4.308 1.00 0.00 H new ATOM 123 N GLU A 10 0.609 -8.212 7.379 1.00 0.00 N ATOM 124 CA GLU A 10 1.417 -9.294 7.933 1.00 0.00 C ATOM 125 C GLU A 10 0.721 -9.957 9.123 1.00 0.00 C ATOM 126 O GLU A 10 1.327 -10.157 10.175 1.00 0.00 O ATOM 127 CB GLU A 10 2.798 -8.780 8.348 1.00 0.00 C ATOM 128 CG GLU A 10 3.496 -7.972 7.268 1.00 0.00 C ATOM 129 CD GLU A 10 3.764 -8.779 6.014 1.00 0.00 C ATOM 130 OE1 GLU A 10 3.716 -10.026 6.089 1.00 0.00 O ATOM 131 OE2 GLU A 10 4.021 -8.167 4.957 1.00 0.00 O ATOM 0 H GLU A 10 0.110 -8.462 6.525 1.00 0.00 H new ATOM 0 HA GLU A 10 1.541 -10.045 7.152 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.694 -8.164 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.426 -9.629 8.618 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.883 -7.107 7.014 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.440 -7.591 7.658 1.00 0.00 H new ATOM 138 N LYS A 11 -0.550 -10.317 8.937 1.00 0.00 N ATOM 139 CA LYS A 11 -1.324 -10.982 9.972 1.00 0.00 C ATOM 140 C LYS A 11 -1.497 -10.121 11.224 1.00 0.00 C ATOM 141 O LYS A 11 -1.942 -10.613 12.260 1.00 0.00 O ATOM 142 CB LYS A 11 -0.658 -12.303 10.317 1.00 0.00 C ATOM 143 CG LYS A 11 -1.048 -13.426 9.375 1.00 0.00 C ATOM 144 CD LYS A 11 -0.031 -14.556 9.402 1.00 0.00 C ATOM 145 CE LYS A 11 -0.067 -15.306 10.724 1.00 0.00 C ATOM 146 NZ LYS A 11 -1.152 -16.326 10.755 1.00 0.00 N ATOM 0 H LYS A 11 -1.063 -10.155 8.070 1.00 0.00 H new ATOM 0 HA LYS A 11 -2.326 -11.158 9.582 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.424 -12.175 10.293 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.924 -12.582 11.337 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.029 -13.811 9.653 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.134 -13.037 8.360 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.232 -15.248 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 11 0.968 -14.152 9.239 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.894 -15.793 10.891 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.212 -14.597 11.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.143 -16.815 11.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.071 -15.859 10.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.000 -17.017 9.993 1.00 0.00 H new ATOM 160 N VAL A 12 -1.180 -8.835 11.119 1.00 0.00 N ATOM 161 CA VAL A 12 -1.341 -7.925 12.229 1.00 0.00 C ATOM 162 C VAL A 12 -2.230 -6.772 11.796 1.00 0.00 C ATOM 163 O VAL A 12 -2.112 -6.283 10.675 1.00 0.00 O ATOM 164 CB VAL A 12 0.012 -7.392 12.741 1.00 0.00 C ATOM 165 CG1 VAL A 12 -0.191 -6.392 13.871 1.00 0.00 C ATOM 166 CG2 VAL A 12 0.898 -8.543 13.195 1.00 0.00 C ATOM 0 H VAL A 12 -0.810 -8.406 10.271 1.00 0.00 H new ATOM 0 HA VAL A 12 -1.803 -8.468 13.054 1.00 0.00 H new ATOM 0 HB VAL A 12 0.509 -6.876 11.920 1.00 0.00 H new ATOM 0 HG11 VAL A 12 0.778 -6.030 14.215 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -0.785 -5.552 13.511 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -0.712 -6.877 14.697 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.849 -8.150 13.554 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.404 -9.087 14.000 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.076 -9.217 12.357 1.00 0.00 H new ATOM 176 N SER A 13 -3.142 -6.360 12.664 1.00 0.00 N ATOM 177 CA SER A 13 -4.063 -5.285 12.325 1.00 0.00 C ATOM 178 C SER A 13 -3.651 -3.966 12.957 1.00 0.00 C ATOM 179 O SER A 13 -3.125 -3.923 14.070 1.00 0.00 O ATOM 180 CB SER A 13 -5.485 -5.648 12.757 1.00 0.00 C ATOM 181 OG SER A 13 -5.765 -7.012 12.498 1.00 0.00 O ATOM 0 H SER A 13 -3.264 -6.749 13.599 1.00 0.00 H new ATOM 0 HA SER A 13 -4.033 -5.160 11.243 1.00 0.00 H new ATOM 0 HB2 SER A 13 -5.608 -5.444 13.821 1.00 0.00 H new ATOM 0 HB3 SER A 13 -6.201 -5.020 12.227 1.00 0.00 H new ATOM 0 HG SER A 13 -6.679 -7.218 12.785 1.00 0.00 H new ATOM 187 N GLY A 14 -3.905 -2.894 12.224 1.00 0.00 N ATOM 188 CA GLY A 14 -3.579 -1.565 12.689 1.00 0.00 C ATOM 189 C GLY A 14 -4.259 -0.509 11.844 1.00 0.00 C ATOM 190 O GLY A 14 -4.981 -0.839 10.903 1.00 0.00 O ATOM 0 H GLY A 14 -4.338 -2.924 11.301 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -3.885 -1.455 13.729 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.499 -1.420 12.658 1.00 0.00 H new ATOM 194 N ILE A 15 -4.038 0.756 12.167 1.00 0.00 N ATOM 195 CA ILE A 15 -4.653 1.834 11.410 1.00 0.00 C ATOM 196 C ILE A 15 -3.716 2.347 10.326 1.00 0.00 C ATOM 197 O ILE A 15 -2.550 2.652 10.578 1.00 0.00 O ATOM 198 CB ILE A 15 -5.100 2.988 12.330 1.00 0.00 C ATOM 199 CG1 ILE A 15 -6.347 2.558 13.101 1.00 0.00 C ATOM 200 CG2 ILE A 15 -5.381 4.253 11.529 1.00 0.00 C ATOM 201 CD1 ILE A 15 -6.094 1.432 14.076 1.00 0.00 C ATOM 0 H ILE A 15 -3.444 1.059 12.939 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.542 1.426 10.929 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.295 3.214 13.030 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.743 3.416 13.644 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.114 2.248 12.392 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -5.694 5.049 12.204 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.477 4.558 11.002 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -6.173 4.058 10.806 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.022 1.178 14.588 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -5.727 0.559 13.536 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -5.350 1.745 14.808 1.00 0.00 H new ATOM 213 N ILE A 16 -4.244 2.420 9.112 1.00 0.00 N ATOM 214 CA ILE A 16 -3.486 2.869 7.961 1.00 0.00 C ATOM 215 C ILE A 16 -3.828 4.318 7.617 1.00 0.00 C ATOM 216 O ILE A 16 -4.984 4.646 7.342 1.00 0.00 O ATOM 217 CB ILE A 16 -3.777 1.942 6.752 1.00 0.00 C ATOM 218 CG1 ILE A 16 -2.586 1.020 6.503 1.00 0.00 C ATOM 219 CG2 ILE A 16 -4.116 2.740 5.496 1.00 0.00 C ATOM 220 CD1 ILE A 16 -2.730 0.151 5.272 1.00 0.00 C ATOM 0 H ILE A 16 -5.210 2.169 8.901 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.424 2.823 8.200 1.00 0.00 H new ATOM 0 HB ILE A 16 -4.651 1.337 6.994 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.685 1.625 6.405 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -2.447 0.379 7.374 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -4.313 2.055 4.672 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -5.000 3.350 5.680 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -3.277 3.386 5.238 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.845 -0.475 5.163 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.612 -0.482 5.374 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.838 0.783 4.391 1.00 0.00 H new ATOM 232 N ALA A 17 -2.815 5.177 7.629 1.00 0.00 N ATOM 233 CA ALA A 17 -3.003 6.586 7.315 1.00 0.00 C ATOM 234 C ALA A 17 -2.234 6.967 6.056 1.00 0.00 C ATOM 235 O ALA A 17 -1.134 6.470 5.817 1.00 0.00 O ATOM 236 CB ALA A 17 -2.567 7.453 8.486 1.00 0.00 C ATOM 0 H ALA A 17 -1.854 4.920 7.853 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.064 6.756 7.131 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.714 8.504 8.235 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.161 7.203 9.365 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.513 7.275 8.698 1.00 0.00 H new ATOM 242 N ILE A 18 -2.819 7.848 5.253 1.00 0.00 N ATOM 243 CA ILE A 18 -2.188 8.290 4.021 1.00 0.00 C ATOM 244 C ILE A 18 -1.630 9.703 4.177 1.00 0.00 C ATOM 245 O ILE A 18 -2.376 10.653 4.412 1.00 0.00 O ATOM 246 CB ILE A 18 -3.191 8.235 2.843 1.00 0.00 C ATOM 247 CG1 ILE A 18 -3.022 6.929 2.064 1.00 0.00 C ATOM 248 CG2 ILE A 18 -3.028 9.432 1.916 1.00 0.00 C ATOM 249 CD1 ILE A 18 -4.007 6.772 0.927 1.00 0.00 C ATOM 0 H ILE A 18 -3.730 8.269 5.435 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.361 7.614 3.803 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.198 8.272 3.258 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -2.009 6.882 1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -3.134 6.089 2.750 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.748 9.361 1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -3.202 10.351 2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.017 9.441 1.508 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.829 5.824 0.419 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -5.023 6.787 1.321 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.880 7.592 0.220 1.00 0.00 H new ATOM 261 N ASN A 19 -0.315 9.832 4.038 1.00 0.00 N ATOM 262 CA ASN A 19 0.340 11.128 4.158 1.00 0.00 C ATOM 263 C ASN A 19 0.712 11.673 2.787 1.00 0.00 C ATOM 264 O ASN A 19 1.615 11.163 2.127 1.00 0.00 O ATOM 265 CB ASN A 19 1.591 11.013 5.030 1.00 0.00 C ATOM 266 CG ASN A 19 1.267 10.627 6.461 1.00 0.00 C ATOM 267 OD1 ASN A 19 1.839 9.683 7.007 1.00 0.00 O ATOM 268 ND2 ASN A 19 0.344 11.357 7.076 1.00 0.00 N ATOM 0 H ASN A 19 0.317 9.056 3.842 1.00 0.00 H new ATOM 0 HA ASN A 19 -0.359 11.819 4.629 1.00 0.00 H new ATOM 0 HB2 ASN A 19 2.263 10.270 4.600 1.00 0.00 H new ATOM 0 HB3 ASN A 19 2.122 11.965 5.025 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.084 11.144 8.039 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.105 12.131 6.585 1.00 0.00 H new ATOM 275 N GLU A 20 0.010 12.718 2.365 1.00 0.00 N ATOM 276 CA GLU A 20 0.269 13.340 1.073 1.00 0.00 C ATOM 277 C GLU A 20 0.960 14.690 1.245 1.00 0.00 C ATOM 278 O GLU A 20 1.401 15.301 0.271 1.00 0.00 O ATOM 279 CB GLU A 20 -1.040 13.521 0.301 1.00 0.00 C ATOM 280 CG GLU A 20 -1.823 12.232 0.116 1.00 0.00 C ATOM 281 CD GLU A 20 -1.080 11.213 -0.724 1.00 0.00 C ATOM 282 OE1 GLU A 20 -0.635 11.570 -1.835 1.00 0.00 O ATOM 283 OE2 GLU A 20 -0.943 10.056 -0.270 1.00 0.00 O ATOM 0 H GLU A 20 -0.743 13.152 2.899 1.00 0.00 H new ATOM 0 HA GLU A 20 0.931 12.683 0.509 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.665 14.243 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.818 13.945 -0.678 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.042 11.801 1.093 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.780 12.457 -0.355 1.00 0.00 H new ATOM 290 N ASP A 21 1.048 15.155 2.490 1.00 0.00 N ATOM 291 CA ASP A 21 1.680 16.432 2.787 1.00 0.00 C ATOM 292 C ASP A 21 3.129 16.458 2.316 1.00 0.00 C ATOM 293 O ASP A 21 3.710 17.528 2.131 1.00 0.00 O ATOM 294 CB ASP A 21 1.617 16.720 4.288 1.00 0.00 C ATOM 295 CG ASP A 21 0.199 16.951 4.774 1.00 0.00 C ATOM 296 OD1 ASP A 21 -0.689 17.186 3.927 1.00 0.00 O ATOM 297 OD2 ASP A 21 -0.024 16.896 6.002 1.00 0.00 O ATOM 0 H ASP A 21 0.688 14.663 3.308 1.00 0.00 H new ATOM 0 HA ASP A 21 1.133 17.206 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.054 15.884 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.223 17.598 4.512 1.00 0.00 H new ATOM 302 N VAL A 22 3.711 15.279 2.121 1.00 0.00 N ATOM 303 CA VAL A 22 5.086 15.184 1.672 1.00 0.00 C ATOM 304 C VAL A 22 5.149 14.956 0.164 1.00 0.00 C ATOM 305 O VAL A 22 4.178 15.196 -0.551 1.00 0.00 O ATOM 306 CB VAL A 22 5.848 14.067 2.428 1.00 0.00 C ATOM 307 CG1 VAL A 22 5.690 12.716 1.743 1.00 0.00 C ATOM 308 CG2 VAL A 22 7.318 14.431 2.589 1.00 0.00 C ATOM 0 H VAL A 22 3.249 14.381 2.268 1.00 0.00 H new ATOM 0 HA VAL A 22 5.575 16.132 1.896 1.00 0.00 H new ATOM 0 HB VAL A 22 5.407 13.980 3.421 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.238 11.958 2.302 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.634 12.447 1.707 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.084 12.774 0.728 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.834 13.633 3.123 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.770 14.562 1.606 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.403 15.359 3.154 1.00 0.00 H new ATOM 318 N SER A 23 6.296 14.493 -0.311 1.00 0.00 N ATOM 319 CA SER A 23 6.484 14.232 -1.732 1.00 0.00 C ATOM 320 C SER A 23 7.752 13.413 -1.974 1.00 0.00 C ATOM 321 O SER A 23 8.860 13.894 -1.735 1.00 0.00 O ATOM 322 CB SER A 23 6.557 15.548 -2.506 1.00 0.00 C ATOM 323 OG SER A 23 7.005 16.606 -1.676 1.00 0.00 O ATOM 0 H SER A 23 7.112 14.290 0.267 1.00 0.00 H new ATOM 0 HA SER A 23 5.629 13.656 -2.087 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.232 15.437 -3.355 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.574 15.790 -2.910 1.00 0.00 H new ATOM 0 HG SER A 23 7.044 17.436 -2.196 1.00 0.00 H new ATOM 329 N PRO A 24 7.612 12.162 -2.451 1.00 0.00 N ATOM 330 CA PRO A 24 6.309 11.550 -2.749 1.00 0.00 C ATOM 331 C PRO A 24 5.521 11.220 -1.487 1.00 0.00 C ATOM 332 O PRO A 24 6.098 10.984 -0.427 1.00 0.00 O ATOM 333 CB PRO A 24 6.683 10.268 -3.493 1.00 0.00 C ATOM 334 CG PRO A 24 8.048 9.930 -3.002 1.00 0.00 C ATOM 335 CD PRO A 24 8.729 11.245 -2.738 1.00 0.00 C ATOM 0 HA PRO A 24 5.665 12.220 -3.319 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.976 9.466 -3.280 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.677 10.420 -4.572 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.999 9.327 -2.095 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.596 9.348 -3.743 1.00 0.00 H new ATOM 0 HD2 PRO A 24 9.419 11.178 -1.897 1.00 0.00 H new ATOM 0 HD3 PRO A 24 9.309 11.576 -3.600 1.00 0.00 H new ATOM 343 N ALA A 25 4.197 11.197 -1.612 1.00 0.00 N ATOM 344 CA ALA A 25 3.326 10.887 -0.481 1.00 0.00 C ATOM 345 C ALA A 25 3.719 9.555 0.152 1.00 0.00 C ATOM 346 O ALA A 25 4.567 8.837 -0.377 1.00 0.00 O ATOM 347 CB ALA A 25 1.873 10.850 -0.932 1.00 0.00 C ATOM 0 H ALA A 25 3.704 11.389 -2.484 1.00 0.00 H new ATOM 0 HA ALA A 25 3.441 11.670 0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.233 10.618 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.594 11.821 -1.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 1.749 10.084 -1.698 1.00 0.00 H new ATOM 353 N GLU A 26 3.111 9.233 1.290 1.00 0.00 N ATOM 354 CA GLU A 26 3.420 7.986 1.983 1.00 0.00 C ATOM 355 C GLU A 26 2.182 7.384 2.643 1.00 0.00 C ATOM 356 O GLU A 26 1.186 8.070 2.872 1.00 0.00 O ATOM 357 CB GLU A 26 4.504 8.224 3.037 1.00 0.00 C ATOM 358 CG GLU A 26 5.812 8.738 2.457 1.00 0.00 C ATOM 359 CD GLU A 26 6.894 8.896 3.508 1.00 0.00 C ATOM 360 OE1 GLU A 26 6.568 8.831 4.713 1.00 0.00 O ATOM 361 OE2 GLU A 26 8.068 9.085 3.127 1.00 0.00 O ATOM 0 H GLU A 26 2.408 9.812 1.749 1.00 0.00 H new ATOM 0 HA GLU A 26 3.782 7.277 1.239 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.135 8.940 3.771 1.00 0.00 H new ATOM 0 HB3 GLU A 26 4.693 7.292 3.569 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.158 8.050 1.685 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.638 9.699 1.973 1.00 0.00 H new ATOM 368 N LEU A 27 2.264 6.092 2.952 1.00 0.00 N ATOM 369 CA LEU A 27 1.167 5.374 3.593 1.00 0.00 C ATOM 370 C LEU A 27 1.641 4.752 4.906 1.00 0.00 C ATOM 371 O LEU A 27 2.396 3.781 4.905 1.00 0.00 O ATOM 372 CB LEU A 27 0.631 4.288 2.655 1.00 0.00 C ATOM 373 CG LEU A 27 -0.277 3.243 3.310 1.00 0.00 C ATOM 374 CD1 LEU A 27 -1.629 3.848 3.646 1.00 0.00 C ATOM 375 CD2 LEU A 27 -0.440 2.036 2.398 1.00 0.00 C ATOM 0 H LEU A 27 3.086 5.518 2.767 1.00 0.00 H new ATOM 0 HA LEU A 27 0.364 6.078 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.079 4.769 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.478 3.774 2.200 1.00 0.00 H new ATOM 0 HG LEU A 27 0.189 2.912 4.238 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.261 3.091 4.111 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.494 4.681 4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.104 4.207 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.088 1.302 2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.885 2.351 1.454 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.536 1.589 2.208 1.00 0.00 H new ATOM 387 N THR A 28 1.212 5.333 6.022 1.00 0.00 N ATOM 388 CA THR A 28 1.601 4.865 7.327 1.00 0.00 C ATOM 389 C THR A 28 0.647 3.797 7.858 1.00 0.00 C ATOM 390 O THR A 28 -0.556 3.835 7.603 1.00 0.00 O ATOM 391 CB THR A 28 1.623 6.058 8.266 1.00 0.00 C ATOM 392 OG1 THR A 28 1.538 7.274 7.539 1.00 0.00 O ATOM 393 CG2 THR A 28 2.865 6.124 9.107 1.00 0.00 C ATOM 0 H THR A 28 0.587 6.139 6.036 1.00 0.00 H new ATOM 0 HA THR A 28 2.587 4.404 7.260 1.00 0.00 H new ATOM 0 HB THR A 28 0.761 5.926 8.919 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.748 8.025 8.132 1.00 0.00 H new ATOM 0 HG21 THR A 28 2.819 6.999 9.756 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.940 5.223 9.717 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.739 6.198 8.460 1.00 0.00 H new ATOM 401 N TRP A 29 1.202 2.856 8.612 1.00 0.00 N ATOM 402 CA TRP A 29 0.432 1.780 9.207 1.00 0.00 C ATOM 403 C TRP A 29 0.821 1.596 10.667 1.00 0.00 C ATOM 404 O TRP A 29 1.917 1.125 10.971 1.00 0.00 O ATOM 405 CB TRP A 29 0.664 0.469 8.461 1.00 0.00 C ATOM 406 CG TRP A 29 -0.091 -0.674 9.062 1.00 0.00 C ATOM 407 CD1 TRP A 29 -1.425 -0.708 9.323 1.00 0.00 C ATOM 408 CD2 TRP A 29 0.437 -1.934 9.497 1.00 0.00 C ATOM 409 NE1 TRP A 29 -1.770 -1.919 9.876 1.00 0.00 N ATOM 410 CE2 TRP A 29 -0.643 -2.687 9.992 1.00 0.00 C ATOM 411 CE3 TRP A 29 1.715 -2.505 9.510 1.00 0.00 C ATOM 412 CZ2 TRP A 29 -0.489 -3.971 10.491 1.00 0.00 C ATOM 413 CZ3 TRP A 29 1.865 -3.788 10.009 1.00 0.00 C ATOM 414 CH2 TRP A 29 0.766 -4.508 10.493 1.00 0.00 C ATOM 0 H TRP A 29 2.199 2.821 8.826 1.00 0.00 H new ATOM 0 HA TRP A 29 -0.622 2.048 9.139 1.00 0.00 H new ATOM 0 HB2 TRP A 29 0.366 0.590 7.420 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.729 0.237 8.463 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -2.114 0.099 9.125 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.711 -2.199 10.154 1.00 0.00 H new ATOM 0 HE3 TRP A 29 2.567 -1.956 9.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -1.335 -4.528 10.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 2.845 -4.241 10.025 1.00 0.00 H new ATOM 0 HH2 TRP A 29 0.914 -5.507 10.875 1.00 0.00 H new ATOM 425 N ARG A 30 -0.080 1.951 11.567 1.00 0.00 N ATOM 426 CA ARG A 30 0.181 1.802 12.992 1.00 0.00 C ATOM 427 C ARG A 30 -0.576 0.597 13.536 1.00 0.00 C ATOM 428 O ARG A 30 -1.786 0.485 13.346 1.00 0.00 O ATOM 429 CB ARG A 30 -0.226 3.070 13.744 1.00 0.00 C ATOM 430 CG ARG A 30 0.264 3.114 15.182 1.00 0.00 C ATOM 431 CD ARG A 30 -0.027 4.459 15.827 1.00 0.00 C ATOM 432 NE ARG A 30 0.483 4.535 17.194 1.00 0.00 N ATOM 433 CZ ARG A 30 -0.159 4.045 18.254 1.00 0.00 C ATOM 434 NH1 ARG A 30 -1.331 3.439 18.107 1.00 0.00 N ATOM 435 NH2 ARG A 30 0.373 4.161 19.462 1.00 0.00 N ATOM 0 H ARG A 30 -0.994 2.342 11.340 1.00 0.00 H new ATOM 0 HA ARG A 30 1.249 1.643 13.139 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.162 3.938 13.211 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.313 3.152 13.738 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -0.217 2.322 15.756 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.336 2.921 15.208 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.421 5.252 15.229 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -1.103 4.633 15.832 1.00 0.00 H new ATOM 0 HE ARG A 30 1.383 4.990 17.346 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.745 3.347 17.179 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.818 3.066 18.922 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.274 4.625 19.580 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.118 3.786 20.274 1.00 0.00 H new ATOM 449 N SER A 31 0.134 -0.307 14.203 1.00 0.00 N ATOM 450 CA SER A 31 -0.490 -1.499 14.752 1.00 0.00 C ATOM 451 C SER A 31 -1.558 -1.135 15.770 1.00 0.00 C ATOM 452 O SER A 31 -1.568 -0.028 16.310 1.00 0.00 O ATOM 453 CB SER A 31 0.564 -2.403 15.397 1.00 0.00 C ATOM 454 OG SER A 31 1.210 -1.748 16.473 1.00 0.00 O ATOM 0 H SER A 31 1.137 -0.235 14.374 1.00 0.00 H new ATOM 0 HA SER A 31 -0.966 -2.038 13.933 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.092 -3.318 15.755 1.00 0.00 H new ATOM 0 HB3 SER A 31 1.302 -2.696 14.650 1.00 0.00 H new ATOM 0 HG SER A 31 1.877 -2.348 16.868 1.00 0.00 H new ATOM 460 N THR A 32 -2.449 -2.077 16.035 1.00 0.00 N ATOM 461 CA THR A 32 -3.516 -1.879 16.988 1.00 0.00 C ATOM 462 C THR A 32 -2.936 -1.608 18.368 1.00 0.00 C ATOM 463 O THR A 32 -3.512 -0.880 19.176 1.00 0.00 O ATOM 464 CB THR A 32 -4.383 -3.133 17.003 1.00 0.00 C ATOM 465 OG1 THR A 32 -5.436 -3.032 16.062 1.00 0.00 O ATOM 466 CG2 THR A 32 -4.992 -3.438 18.345 1.00 0.00 C ATOM 0 H THR A 32 -2.448 -2.997 15.594 1.00 0.00 H new ATOM 0 HA THR A 32 -4.123 -1.019 16.705 1.00 0.00 H new ATOM 0 HB THR A 32 -3.702 -3.945 16.748 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.097 -3.244 15.167 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.594 -4.344 18.274 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.200 -3.585 19.079 1.00 0.00 H new ATOM 0 HG23 THR A 32 -5.624 -2.606 18.655 1.00 0.00 H new ATOM 474 N ASP A 33 -1.787 -2.215 18.618 1.00 0.00 N ATOM 475 CA ASP A 33 -1.100 -2.065 19.894 1.00 0.00 C ATOM 476 C ASP A 33 -0.504 -0.673 20.032 1.00 0.00 C ATOM 477 O ASP A 33 -0.424 -0.123 21.130 1.00 0.00 O ATOM 478 CB ASP A 33 -0.005 -3.123 20.035 1.00 0.00 C ATOM 479 CG ASP A 33 -0.563 -4.533 20.089 1.00 0.00 C ATOM 480 OD1 ASP A 33 -1.776 -4.682 20.344 1.00 0.00 O ATOM 481 OD2 ASP A 33 0.215 -5.486 19.876 1.00 0.00 O ATOM 0 H ASP A 33 -1.307 -2.820 17.951 1.00 0.00 H new ATOM 0 HA ASP A 33 -1.831 -2.204 20.690 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.685 -3.041 19.196 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.570 -2.928 20.941 1.00 0.00 H new ATOM 486 N GLY A 34 -0.079 -0.117 18.910 1.00 0.00 N ATOM 487 CA GLY A 34 0.515 1.204 18.911 1.00 0.00 C ATOM 488 C GLY A 34 1.985 1.164 19.264 1.00 0.00 C ATOM 489 O GLY A 34 2.542 2.143 19.763 1.00 0.00 O ATOM 0 H GLY A 34 -0.135 -0.559 17.992 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.390 1.658 17.928 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.012 1.838 19.624 1.00 0.00 H new ATOM 493 N ASP A 35 2.614 0.024 19.006 1.00 0.00 N ATOM 494 CA ASP A 35 4.030 -0.152 19.298 1.00 0.00 C ATOM 495 C ASP A 35 4.848 -0.286 18.017 1.00 0.00 C ATOM 496 O ASP A 35 6.066 -0.112 18.029 1.00 0.00 O ATOM 497 CB ASP A 35 4.239 -1.384 20.183 1.00 0.00 C ATOM 498 CG ASP A 35 3.623 -1.220 21.558 1.00 0.00 C ATOM 499 OD1 ASP A 35 3.317 -0.071 21.940 1.00 0.00 O ATOM 500 OD2 ASP A 35 3.446 -2.243 22.254 1.00 0.00 O ATOM 0 H ASP A 35 2.164 -0.794 18.594 1.00 0.00 H new ATOM 0 HA ASP A 35 4.375 0.735 19.829 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.804 -2.256 19.695 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.307 -1.576 20.287 1.00 0.00 H new ATOM 505 N LYS A 36 4.176 -0.595 16.912 1.00 0.00 N ATOM 506 CA LYS A 36 4.848 -0.750 15.628 1.00 0.00 C ATOM 507 C LYS A 36 4.174 0.100 14.558 1.00 0.00 C ATOM 508 O LYS A 36 2.955 0.056 14.389 1.00 0.00 O ATOM 509 CB LYS A 36 4.855 -2.220 15.204 1.00 0.00 C ATOM 510 CG LYS A 36 6.184 -2.914 15.450 1.00 0.00 C ATOM 511 CD LYS A 36 6.171 -4.343 14.932 1.00 0.00 C ATOM 512 CE LYS A 36 7.470 -5.065 15.255 1.00 0.00 C ATOM 513 NZ LYS A 36 7.535 -6.405 14.611 1.00 0.00 N ATOM 0 H LYS A 36 3.167 -0.743 16.881 1.00 0.00 H new ATOM 0 HA LYS A 36 5.878 -0.410 15.741 1.00 0.00 H new ATOM 0 HB2 LYS A 36 4.071 -2.750 15.745 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.610 -2.286 14.144 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.983 -2.356 14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 36 6.403 -2.915 16.518 1.00 0.00 H new ATOM 0 HD2 LYS A 36 5.334 -4.883 15.373 1.00 0.00 H new ATOM 0 HD3 LYS A 36 6.014 -4.339 13.853 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.314 -4.461 14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.565 -5.176 16.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.435 -6.864 14.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.745 -6.991 14.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.471 -6.297 13.579 1.00 0.00 H new ATOM 527 N VAL A 37 4.976 0.872 13.836 1.00 0.00 N ATOM 528 CA VAL A 37 4.461 1.732 12.778 1.00 0.00 C ATOM 529 C VAL A 37 5.207 1.496 11.470 1.00 0.00 C ATOM 530 O VAL A 37 6.426 1.648 11.403 1.00 0.00 O ATOM 531 CB VAL A 37 4.573 3.220 13.160 1.00 0.00 C ATOM 532 CG1 VAL A 37 3.869 4.091 12.131 1.00 0.00 C ATOM 533 CG2 VAL A 37 4.005 3.458 14.551 1.00 0.00 C ATOM 0 H VAL A 37 5.987 0.920 13.964 1.00 0.00 H new ATOM 0 HA VAL A 37 3.409 1.478 12.645 1.00 0.00 H new ATOM 0 HB VAL A 37 5.628 3.495 13.172 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.959 5.139 12.418 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.328 3.942 11.153 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.815 3.817 12.083 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.093 4.515 14.804 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.955 3.166 14.570 1.00 0.00 H new ATOM 0 HG23 VAL A 37 4.560 2.864 15.277 1.00 0.00 H new ATOM 543 N HIS A 38 4.465 1.124 10.433 1.00 0.00 N ATOM 544 CA HIS A 38 5.058 0.866 9.124 1.00 0.00 C ATOM 545 C HIS A 38 4.690 1.954 8.129 1.00 0.00 C ATOM 546 O HIS A 38 3.574 2.462 8.126 1.00 0.00 O ATOM 547 CB HIS A 38 4.624 -0.487 8.577 1.00 0.00 C ATOM 548 CG HIS A 38 5.263 -0.842 7.270 1.00 0.00 C ATOM 549 ND1 HIS A 38 5.205 -0.232 6.063 1.00 0.00 N flip ATOM 550 CD2 HIS A 38 6.069 -1.948 7.098 1.00 0.00 C flip ATOM 551 CE1 HIS A 38 5.971 -0.973 5.195 1.00 0.00 C flip ATOM 552 NE2 HIS A 38 6.480 -2.003 5.844 1.00 0.00 N flip ATOM 0 H HIS A 38 3.454 0.994 10.472 1.00 0.00 H new ATOM 0 HA HIS A 38 6.139 0.861 9.260 1.00 0.00 H new ATOM 0 HB2 HIS A 38 4.863 -1.258 9.309 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.541 -0.489 8.454 1.00 0.00 H new ATOM 0 HD2 HIS A 38 6.325 -2.659 7.870 1.00 0.00 H new ATOM 0 HE1 HIS A 38 6.130 -0.749 4.151 1.00 0.00 H new ATOM 0 HE2 HIS A 38 7.087 -2.719 5.445 1.00 0.00 H new ATOM 561 N THR A 39 5.644 2.299 7.286 1.00 0.00 N ATOM 562 CA THR A 39 5.436 3.326 6.271 1.00 0.00 C ATOM 563 C THR A 39 5.635 2.752 4.872 1.00 0.00 C ATOM 564 O THR A 39 6.616 2.054 4.612 1.00 0.00 O ATOM 565 CB THR A 39 6.394 4.498 6.496 1.00 0.00 C ATOM 566 OG1 THR A 39 6.352 4.927 7.845 1.00 0.00 O ATOM 567 CG2 THR A 39 6.089 5.697 5.624 1.00 0.00 C ATOM 0 H THR A 39 6.576 1.884 7.280 1.00 0.00 H new ATOM 0 HA THR A 39 4.410 3.685 6.356 1.00 0.00 H new ATOM 0 HB THR A 39 7.381 4.119 6.232 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.972 5.676 7.970 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.805 6.491 5.834 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.161 5.411 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.081 6.053 5.835 1.00 0.00 H new ATOM 575 N VAL A 40 4.697 3.044 3.977 1.00 0.00 N ATOM 576 CA VAL A 40 4.770 2.550 2.607 1.00 0.00 C ATOM 577 C VAL A 40 4.801 3.697 1.604 1.00 0.00 C ATOM 578 O VAL A 40 4.165 4.732 1.809 1.00 0.00 O ATOM 579 CB VAL A 40 3.575 1.636 2.274 1.00 0.00 C ATOM 580 CG1 VAL A 40 3.771 0.972 0.920 1.00 0.00 C ATOM 581 CG2 VAL A 40 3.378 0.596 3.364 1.00 0.00 C ATOM 0 H VAL A 40 3.879 3.619 4.175 1.00 0.00 H new ATOM 0 HA VAL A 40 5.695 1.978 2.532 1.00 0.00 H new ATOM 0 HB VAL A 40 2.675 2.249 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 40 2.917 0.331 0.702 1.00 0.00 H new ATOM 0 HG12 VAL A 40 3.856 1.737 0.148 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.681 0.372 0.937 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.530 -0.040 3.111 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.276 -0.015 3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.186 1.096 4.313 1.00 0.00 H new ATOM 591 N VAL A 41 5.536 3.503 0.515 1.00 0.00 N ATOM 592 CA VAL A 41 5.641 4.516 -0.526 1.00 0.00 C ATOM 593 C VAL A 41 4.572 4.301 -1.592 1.00 0.00 C ATOM 594 O VAL A 41 4.507 3.240 -2.214 1.00 0.00 O ATOM 595 CB VAL A 41 7.031 4.500 -1.191 1.00 0.00 C ATOM 596 CG1 VAL A 41 7.168 5.650 -2.176 1.00 0.00 C ATOM 597 CG2 VAL A 41 8.126 4.557 -0.137 1.00 0.00 C ATOM 0 H VAL A 41 6.068 2.652 0.331 1.00 0.00 H new ATOM 0 HA VAL A 41 5.493 5.485 -0.050 1.00 0.00 H new ATOM 0 HB VAL A 41 7.138 3.567 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.156 5.621 -2.634 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.406 5.559 -2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 41 7.040 6.596 -1.651 1.00 0.00 H new ATOM 0 HG21 VAL A 41 9.101 4.545 -0.624 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.023 5.472 0.446 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.040 3.695 0.524 1.00 0.00 H new ATOM 607 N LEU A 42 3.730 5.308 -1.792 1.00 0.00 N ATOM 608 CA LEU A 42 2.658 5.223 -2.774 1.00 0.00 C ATOM 609 C LEU A 42 3.149 5.575 -4.178 1.00 0.00 C ATOM 610 O LEU A 42 2.446 5.349 -5.163 1.00 0.00 O ATOM 611 CB LEU A 42 1.503 6.144 -2.373 1.00 0.00 C ATOM 612 CG LEU A 42 1.008 5.971 -0.935 1.00 0.00 C ATOM 613 CD1 LEU A 42 -0.268 6.771 -0.712 1.00 0.00 C ATOM 614 CD2 LEU A 42 0.780 4.498 -0.617 1.00 0.00 C ATOM 0 H LEU A 42 3.770 6.193 -1.286 1.00 0.00 H new ATOM 0 HA LEU A 42 2.307 4.191 -2.795 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.818 7.178 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 42 0.668 5.972 -3.052 1.00 0.00 H new ATOM 0 HG LEU A 42 1.775 6.350 -0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -0.607 6.637 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.072 7.828 -0.894 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.041 6.422 -1.397 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.428 4.398 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.033 4.090 -1.298 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.715 3.951 -0.735 1.00 0.00 H new ATOM 626 N SER A 43 4.358 6.124 -4.270 1.00 0.00 N ATOM 627 CA SER A 43 4.928 6.494 -5.558 1.00 0.00 C ATOM 628 C SER A 43 5.449 5.263 -6.287 1.00 0.00 C ATOM 629 O SER A 43 5.489 5.227 -7.517 1.00 0.00 O ATOM 630 CB SER A 43 6.062 7.506 -5.371 1.00 0.00 C ATOM 631 OG SER A 43 7.127 6.947 -4.620 1.00 0.00 O ATOM 0 H SER A 43 4.958 6.321 -3.469 1.00 0.00 H new ATOM 0 HA SER A 43 4.141 6.951 -6.158 1.00 0.00 H new ATOM 0 HB2 SER A 43 6.430 7.828 -6.345 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.682 8.393 -4.864 1.00 0.00 H new ATOM 0 HG SER A 43 7.945 7.462 -4.779 1.00 0.00 H new ATOM 637 N THR A 44 5.844 4.252 -5.519 1.00 0.00 N ATOM 638 CA THR A 44 6.360 3.018 -6.094 1.00 0.00 C ATOM 639 C THR A 44 5.223 2.114 -6.562 1.00 0.00 C ATOM 640 O THR A 44 5.411 1.257 -7.424 1.00 0.00 O ATOM 641 CB THR A 44 7.236 2.280 -5.079 1.00 0.00 C ATOM 642 OG1 THR A 44 7.897 1.186 -5.690 1.00 0.00 O ATOM 643 CG2 THR A 44 6.460 1.743 -3.894 1.00 0.00 C ATOM 0 H THR A 44 5.816 4.264 -4.499 1.00 0.00 H new ATOM 0 HA THR A 44 6.968 3.280 -6.960 1.00 0.00 H new ATOM 0 HB THR A 44 7.948 3.023 -4.719 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.453 0.728 -5.026 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.142 1.232 -3.214 1.00 0.00 H new ATOM 0 HG22 THR A 44 5.977 2.569 -3.371 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.702 1.042 -4.243 1.00 0.00 H new ATOM 651 N ILE A 45 4.043 2.315 -5.987 1.00 0.00 N ATOM 652 CA ILE A 45 2.873 1.520 -6.343 1.00 0.00 C ATOM 653 C ILE A 45 2.508 1.712 -7.809 1.00 0.00 C ATOM 654 O ILE A 45 1.775 2.636 -8.163 1.00 0.00 O ATOM 655 CB ILE A 45 1.659 1.883 -5.466 1.00 0.00 C ATOM 656 CG1 ILE A 45 2.037 1.826 -3.985 1.00 0.00 C ATOM 657 CG2 ILE A 45 0.494 0.949 -5.757 1.00 0.00 C ATOM 658 CD1 ILE A 45 2.592 0.485 -3.554 1.00 0.00 C ATOM 0 H ILE A 45 3.871 3.022 -5.272 1.00 0.00 H new ATOM 0 HA ILE A 45 3.133 0.475 -6.171 1.00 0.00 H new ATOM 0 HB ILE A 45 1.350 2.901 -5.705 1.00 0.00 H new ATOM 0 HG12 ILE A 45 2.776 2.600 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 45 1.157 2.056 -3.385 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.355 1.220 -5.129 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.211 1.036 -6.806 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.790 -0.078 -5.545 1.00 0.00 H new ATOM 0 HD11 ILE A 45 2.838 0.517 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 45 1.847 -0.291 -3.730 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.491 0.262 -4.128 1.00 0.00 H new ATOM 670 N ASP A 46 3.026 0.832 -8.659 1.00 0.00 N ATOM 671 CA ASP A 46 2.758 0.900 -10.088 1.00 0.00 C ATOM 672 C ASP A 46 1.273 0.711 -10.377 1.00 0.00 C ATOM 673 O ASP A 46 0.753 1.238 -11.362 1.00 0.00 O ATOM 674 CB ASP A 46 3.572 -0.162 -10.830 1.00 0.00 C ATOM 675 CG ASP A 46 3.528 0.021 -12.335 1.00 0.00 C ATOM 676 OD1 ASP A 46 3.120 1.110 -12.790 1.00 0.00 O ATOM 677 OD2 ASP A 46 3.902 -0.925 -13.059 1.00 0.00 O ATOM 0 H ASP A 46 3.635 0.062 -8.381 1.00 0.00 H new ATOM 0 HA ASP A 46 3.053 1.889 -10.439 1.00 0.00 H new ATOM 0 HB2 ASP A 46 4.608 -0.123 -10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 46 3.191 -1.151 -10.576 1.00 0.00 H new ATOM 682 N LYS A 47 0.592 -0.043 -9.517 1.00 0.00 N ATOM 683 CA LYS A 47 -0.834 -0.295 -9.695 1.00 0.00 C ATOM 684 C LYS A 47 -1.491 -0.687 -8.377 1.00 0.00 C ATOM 685 O LYS A 47 -0.813 -1.053 -7.417 1.00 0.00 O ATOM 686 CB LYS A 47 -1.052 -1.400 -10.730 1.00 0.00 C ATOM 687 CG LYS A 47 -0.516 -1.058 -12.111 1.00 0.00 C ATOM 688 CD LYS A 47 -0.955 -2.079 -13.147 1.00 0.00 C ATOM 689 CE LYS A 47 -0.365 -3.451 -12.864 1.00 0.00 C ATOM 690 NZ LYS A 47 1.096 -3.496 -13.149 1.00 0.00 N ATOM 0 H LYS A 47 1.002 -0.487 -8.695 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.295 0.627 -10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.572 -2.314 -10.380 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.119 -1.609 -10.806 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.866 -0.068 -12.403 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.573 -1.015 -12.080 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.043 -2.145 -13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -0.648 -1.747 -14.139 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.540 -3.713 -11.821 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.877 -4.198 -13.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.441 -4.471 -13.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.270 -3.172 -14.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.599 -2.876 -12.483 1.00 0.00 H new ATOM 704 N LEU A 48 -2.818 -0.615 -8.343 1.00 0.00 N ATOM 705 CA LEU A 48 -3.574 -0.967 -7.149 1.00 0.00 C ATOM 706 C LEU A 48 -4.528 -2.122 -7.435 1.00 0.00 C ATOM 707 O LEU A 48 -5.385 -2.028 -8.314 1.00 0.00 O ATOM 708 CB LEU A 48 -4.357 0.242 -6.635 1.00 0.00 C ATOM 709 CG LEU A 48 -3.656 1.052 -5.544 1.00 0.00 C ATOM 710 CD1 LEU A 48 -2.759 2.113 -6.160 1.00 0.00 C ATOM 711 CD2 LEU A 48 -4.677 1.687 -4.614 1.00 0.00 C ATOM 0 H LEU A 48 -3.392 -0.315 -9.131 1.00 0.00 H new ATOM 0 HA LEU A 48 -2.867 -1.281 -6.381 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.570 0.902 -7.476 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.317 -0.103 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.033 0.376 -4.959 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.269 2.679 -5.368 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.005 1.634 -6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.360 2.788 -6.770 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.161 2.260 -3.844 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.326 2.350 -5.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -5.277 0.907 -4.145 1.00 0.00 H new ATOM 723 N GLN A 49 -4.374 -3.210 -6.689 1.00 0.00 N ATOM 724 CA GLN A 49 -5.222 -4.382 -6.862 1.00 0.00 C ATOM 725 C GLN A 49 -6.070 -4.625 -5.619 1.00 0.00 C ATOM 726 O GLN A 49 -5.630 -4.373 -4.497 1.00 0.00 O ATOM 727 CB GLN A 49 -4.368 -5.616 -7.162 1.00 0.00 C ATOM 728 CG GLN A 49 -3.627 -5.536 -8.487 1.00 0.00 C ATOM 729 CD GLN A 49 -2.758 -6.751 -8.742 1.00 0.00 C ATOM 730 OE1 GLN A 49 -2.461 -7.520 -7.829 1.00 0.00 O ATOM 731 NE2 GLN A 49 -2.345 -6.932 -9.993 1.00 0.00 N ATOM 0 H GLN A 49 -3.669 -3.304 -5.958 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.888 -4.198 -7.705 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.644 -5.751 -6.358 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -5.008 -6.498 -7.166 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -4.349 -5.433 -9.297 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.006 -4.640 -8.498 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.615 -6.269 -10.720 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -1.758 -7.733 -10.226 1.00 0.00 H new ATOM 740 N ALA A 50 -7.288 -5.113 -5.824 1.00 0.00 N ATOM 741 CA ALA A 50 -8.197 -5.386 -4.718 1.00 0.00 C ATOM 742 C ALA A 50 -8.992 -6.663 -4.961 1.00 0.00 C ATOM 743 O ALA A 50 -9.147 -7.103 -6.101 1.00 0.00 O ATOM 744 CB ALA A 50 -9.139 -4.210 -4.507 1.00 0.00 C ATOM 0 H ALA A 50 -7.668 -5.328 -6.746 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.600 -5.527 -3.817 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -9.812 -4.427 -3.678 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -8.559 -3.316 -4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.721 -4.043 -5.413 1.00 0.00 H new ATOM 750 N THR A 51 -9.495 -7.253 -3.883 1.00 0.00 N ATOM 751 CA THR A 51 -10.278 -8.480 -3.980 1.00 0.00 C ATOM 752 C THR A 51 -11.638 -8.206 -4.619 1.00 0.00 C ATOM 753 O THR A 51 -12.248 -7.165 -4.375 1.00 0.00 O ATOM 754 CB THR A 51 -10.467 -9.100 -2.594 1.00 0.00 C ATOM 755 OG1 THR A 51 -10.894 -8.124 -1.662 1.00 0.00 O ATOM 756 CG2 THR A 51 -9.208 -9.739 -2.047 1.00 0.00 C ATOM 0 H THR A 51 -9.375 -6.903 -2.933 1.00 0.00 H new ATOM 0 HA THR A 51 -9.734 -9.182 -4.612 1.00 0.00 H new ATOM 0 HB THR A 51 -11.221 -9.876 -2.725 1.00 0.00 H new ATOM 0 HG1 THR A 51 -11.873 -8.087 -1.653 1.00 0.00 H new ATOM 0 HG21 THR A 51 -9.412 -10.159 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 51 -8.881 -10.532 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 51 -8.424 -8.986 -1.965 1.00 0.00 H new ATOM 764 N PRO A 52 -12.134 -9.140 -5.449 1.00 0.00 N ATOM 765 CA PRO A 52 -13.428 -8.990 -6.123 1.00 0.00 C ATOM 766 C PRO A 52 -14.604 -9.108 -5.158 1.00 0.00 C ATOM 767 O PRO A 52 -14.458 -9.609 -4.043 1.00 0.00 O ATOM 768 CB PRO A 52 -13.444 -10.142 -7.129 1.00 0.00 C ATOM 769 CG PRO A 52 -12.543 -11.171 -6.538 1.00 0.00 C ATOM 770 CD PRO A 52 -11.474 -10.414 -5.799 1.00 0.00 C ATOM 0 HA PRO A 52 -13.535 -8.007 -6.581 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -14.452 -10.532 -7.269 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -13.088 -9.819 -8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -13.092 -11.829 -5.864 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.109 -11.801 -7.314 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.142 -10.952 -4.911 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -10.594 -10.252 -6.421 1.00 0.00 H new ATOM 778 N ALA A 53 -15.771 -8.645 -5.597 1.00 0.00 N ATOM 779 CA ALA A 53 -16.974 -8.698 -4.775 1.00 0.00 C ATOM 780 C ALA A 53 -17.457 -10.134 -4.580 1.00 0.00 C ATOM 781 O ALA A 53 -18.317 -10.398 -3.739 1.00 0.00 O ATOM 782 CB ALA A 53 -18.073 -7.851 -5.397 1.00 0.00 C ATOM 0 H ALA A 53 -15.908 -8.229 -6.518 1.00 0.00 H new ATOM 0 HA ALA A 53 -16.726 -8.295 -3.793 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -18.966 -7.899 -4.774 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -17.737 -6.817 -5.471 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -18.305 -8.230 -6.393 1.00 0.00 H new ATOM 788 N SER A 54 -16.903 -11.061 -5.359 1.00 0.00 N ATOM 789 CA SER A 54 -17.284 -12.466 -5.263 1.00 0.00 C ATOM 790 C SER A 54 -16.417 -13.210 -4.249 1.00 0.00 C ATOM 791 O SER A 54 -16.597 -14.407 -4.026 1.00 0.00 O ATOM 792 CB SER A 54 -17.170 -13.137 -6.632 1.00 0.00 C ATOM 793 OG SER A 54 -17.871 -14.368 -6.658 1.00 0.00 O ATOM 0 H SER A 54 -16.190 -10.864 -6.062 1.00 0.00 H new ATOM 0 HA SER A 54 -18.319 -12.508 -4.922 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.567 -12.473 -7.400 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.120 -13.308 -6.870 1.00 0.00 H new ATOM 0 HG SER A 54 -17.775 -14.818 -5.793 1.00 0.00 H new ATOM 799 N SER A 55 -15.476 -12.496 -3.633 1.00 0.00 N ATOM 800 CA SER A 55 -14.589 -13.091 -2.643 1.00 0.00 C ATOM 801 C SER A 55 -14.959 -12.624 -1.244 1.00 0.00 C ATOM 802 O SER A 55 -14.845 -11.442 -0.922 1.00 0.00 O ATOM 803 CB SER A 55 -13.134 -12.731 -2.945 1.00 0.00 C ATOM 804 OG SER A 55 -12.271 -13.821 -2.673 1.00 0.00 O ATOM 0 H SER A 55 -15.311 -11.504 -3.804 1.00 0.00 H new ATOM 0 HA SER A 55 -14.702 -14.174 -2.692 1.00 0.00 H new ATOM 0 HB2 SER A 55 -13.038 -12.440 -3.991 1.00 0.00 H new ATOM 0 HB3 SER A 55 -12.837 -11.870 -2.346 1.00 0.00 H new ATOM 0 HG SER A 55 -11.347 -13.565 -2.876 1.00 0.00 H new ATOM 810 N GLU A 56 -15.395 -13.563 -0.412 1.00 0.00 N ATOM 811 CA GLU A 56 -15.771 -13.246 0.958 1.00 0.00 C ATOM 812 C GLU A 56 -14.603 -12.609 1.704 1.00 0.00 C ATOM 813 O GLU A 56 -14.790 -11.955 2.729 1.00 0.00 O ATOM 814 CB GLU A 56 -16.234 -14.508 1.688 1.00 0.00 C ATOM 815 CG GLU A 56 -17.497 -15.119 1.106 1.00 0.00 C ATOM 816 CD GLU A 56 -18.684 -14.177 1.165 1.00 0.00 C ATOM 817 OE1 GLU A 56 -18.632 -13.206 1.950 1.00 0.00 O ATOM 818 OE2 GLU A 56 -19.665 -14.410 0.429 1.00 0.00 O ATOM 0 H GLU A 56 -15.496 -14.547 -0.662 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.594 -12.532 0.929 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -15.435 -15.249 1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -16.407 -14.268 2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -17.314 -15.402 0.069 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.737 -16.033 1.649 1.00 0.00 H new ATOM 825 N LYS A 57 -13.396 -12.805 1.179 1.00 0.00 N ATOM 826 CA LYS A 57 -12.197 -12.247 1.793 1.00 0.00 C ATOM 827 C LYS A 57 -11.892 -10.864 1.227 1.00 0.00 C ATOM 828 O LYS A 57 -11.546 -10.725 0.054 1.00 0.00 O ATOM 829 CB LYS A 57 -11.004 -13.176 1.568 1.00 0.00 C ATOM 830 CG LYS A 57 -11.230 -14.591 2.077 1.00 0.00 C ATOM 831 CD LYS A 57 -11.426 -14.615 3.585 1.00 0.00 C ATOM 832 CE LYS A 57 -11.473 -16.038 4.117 1.00 0.00 C ATOM 833 NZ LYS A 57 -12.692 -16.763 3.662 1.00 0.00 N ATOM 0 H LYS A 57 -13.224 -13.345 0.331 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.377 -12.152 2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -10.780 -13.214 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.129 -12.756 2.063 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -12.105 -15.019 1.588 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -10.378 -15.216 1.810 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -10.614 -14.072 4.067 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.351 -14.099 3.841 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.586 -16.578 3.787 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.448 -16.019 5.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -12.702 -17.718 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -13.539 -16.244 3.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -12.687 -16.834 2.624 1.00 0.00 H new ATOM 847 N MET A 58 -12.024 -9.844 2.068 1.00 0.00 N ATOM 848 CA MET A 58 -11.763 -8.470 1.650 1.00 0.00 C ATOM 849 C MET A 58 -10.320 -8.077 1.950 1.00 0.00 C ATOM 850 O MET A 58 -9.937 -7.915 3.109 1.00 0.00 O ATOM 851 CB MET A 58 -12.723 -7.505 2.350 1.00 0.00 C ATOM 852 CG MET A 58 -12.900 -7.787 3.834 1.00 0.00 C ATOM 853 SD MET A 58 -13.793 -6.475 4.689 1.00 0.00 S ATOM 854 CE MET A 58 -14.464 -7.375 6.084 1.00 0.00 C ATOM 0 H MET A 58 -12.310 -9.942 3.042 1.00 0.00 H new ATOM 0 HA MET A 58 -11.923 -8.409 0.574 1.00 0.00 H new ATOM 0 HB2 MET A 58 -12.356 -6.486 2.224 1.00 0.00 H new ATOM 0 HB3 MET A 58 -13.696 -7.556 1.861 1.00 0.00 H new ATOM 0 HG2 MET A 58 -13.436 -8.728 3.960 1.00 0.00 H new ATOM 0 HG3 MET A 58 -11.921 -7.914 4.295 1.00 0.00 H new ATOM 0 HE1 MET A 58 -15.144 -6.730 6.640 1.00 0.00 H new ATOM 0 HE2 MET A 58 -15.006 -8.250 5.726 1.00 0.00 H new ATOM 0 HE3 MET A 58 -13.651 -7.694 6.736 1.00 0.00 H new ATOM 864 N MET A 59 -9.522 -7.931 0.897 1.00 0.00 N ATOM 865 CA MET A 59 -8.120 -7.562 1.046 1.00 0.00 C ATOM 866 C MET A 59 -7.672 -6.654 -0.096 1.00 0.00 C ATOM 867 O MET A 59 -8.192 -6.738 -1.208 1.00 0.00 O ATOM 868 CB MET A 59 -7.246 -8.817 1.087 1.00 0.00 C ATOM 869 CG MET A 59 -7.582 -9.755 2.235 1.00 0.00 C ATOM 870 SD MET A 59 -6.434 -11.140 2.360 1.00 0.00 S ATOM 871 CE MET A 59 -7.180 -12.080 3.689 1.00 0.00 C ATOM 0 H MET A 59 -9.823 -8.063 -0.069 1.00 0.00 H new ATOM 0 HA MET A 59 -8.009 -7.017 1.984 1.00 0.00 H new ATOM 0 HB2 MET A 59 -7.354 -9.355 0.145 1.00 0.00 H new ATOM 0 HB3 MET A 59 -6.200 -8.519 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 59 -7.573 -9.196 3.170 1.00 0.00 H new ATOM 0 HG3 MET A 59 -8.594 -10.138 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 59 -6.458 -12.799 4.076 1.00 0.00 H new ATOM 0 HE2 MET A 59 -7.482 -11.403 4.488 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.054 -12.611 3.313 1.00 0.00 H new ATOM 881 N LEU A 60 -6.704 -5.785 0.186 1.00 0.00 N ATOM 882 CA LEU A 60 -6.189 -4.864 -0.820 1.00 0.00 C ATOM 883 C LEU A 60 -4.725 -5.167 -1.131 1.00 0.00 C ATOM 884 O LEU A 60 -3.898 -5.276 -0.227 1.00 0.00 O ATOM 885 CB LEU A 60 -6.337 -3.419 -0.335 1.00 0.00 C ATOM 886 CG LEU A 60 -7.215 -2.526 -1.212 1.00 0.00 C ATOM 887 CD1 LEU A 60 -6.532 -2.242 -2.540 1.00 0.00 C ATOM 888 CD2 LEU A 60 -8.575 -3.171 -1.432 1.00 0.00 C ATOM 0 H LEU A 60 -6.262 -5.701 1.101 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.768 -4.993 -1.734 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.751 -3.431 0.673 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.345 -2.972 -0.267 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.365 -1.577 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.173 -1.605 -3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.583 -1.737 -2.360 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.350 -3.181 -3.063 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.188 -2.523 -2.058 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.445 -4.135 -1.925 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.068 -3.318 -0.471 1.00 0.00 H new ATOM 900 N ARG A 61 -4.414 -5.306 -2.418 1.00 0.00 N ATOM 901 CA ARG A 61 -3.051 -5.600 -2.850 1.00 0.00 C ATOM 902 C ARG A 61 -2.471 -4.445 -3.655 1.00 0.00 C ATOM 903 O ARG A 61 -3.143 -3.869 -4.510 1.00 0.00 O ATOM 904 CB ARG A 61 -3.029 -6.882 -3.684 1.00 0.00 C ATOM 905 CG ARG A 61 -1.630 -7.411 -3.952 1.00 0.00 C ATOM 906 CD ARG A 61 -1.664 -8.660 -4.817 1.00 0.00 C ATOM 907 NE ARG A 61 -0.400 -9.393 -4.773 1.00 0.00 N ATOM 908 CZ ARG A 61 -0.058 -10.331 -5.652 1.00 0.00 C ATOM 909 NH1 ARG A 61 -0.876 -10.649 -6.648 1.00 0.00 N ATOM 910 NH2 ARG A 61 1.107 -10.953 -5.536 1.00 0.00 N ATOM 0 H ARG A 61 -5.088 -5.220 -3.179 1.00 0.00 H new ATOM 0 HA ARG A 61 -2.436 -5.739 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -3.606 -7.650 -3.169 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -3.526 -6.695 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -1.037 -6.641 -4.446 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -1.137 -7.635 -3.006 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -2.472 -9.311 -4.482 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.885 -8.381 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 61 0.258 -9.172 -4.025 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.773 -10.173 -6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.607 -11.369 -7.318 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.740 -10.712 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.370 -11.672 -6.209 1.00 0.00 H new ATOM 924 N LEU A 62 -1.216 -4.112 -3.374 1.00 0.00 N ATOM 925 CA LEU A 62 -0.539 -3.024 -4.070 1.00 0.00 C ATOM 926 C LEU A 62 0.742 -3.515 -4.732 1.00 0.00 C ATOM 927 O LEU A 62 1.576 -4.161 -4.098 1.00 0.00 O ATOM 928 CB LEU A 62 -0.231 -1.883 -3.100 1.00 0.00 C ATOM 929 CG LEU A 62 -1.103 -0.640 -3.276 1.00 0.00 C ATOM 930 CD1 LEU A 62 -2.546 -0.945 -2.908 1.00 0.00 C ATOM 931 CD2 LEU A 62 -0.569 0.511 -2.437 1.00 0.00 C ATOM 0 H LEU A 62 -0.647 -4.580 -2.669 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.205 -2.653 -4.849 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.348 -2.250 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.814 -1.596 -3.218 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.071 -0.343 -4.324 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.152 -0.049 -3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.926 -1.738 -3.552 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.596 -1.268 -1.868 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.203 1.387 -2.576 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.570 0.225 -1.385 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.449 0.747 -2.748 1.00 0.00 H new ATOM 943 N ILE A 63 0.886 -3.203 -6.013 1.00 0.00 N ATOM 944 CA ILE A 63 2.061 -3.609 -6.774 1.00 0.00 C ATOM 945 C ILE A 63 3.041 -2.451 -6.930 1.00 0.00 C ATOM 946 O ILE A 63 2.662 -1.361 -7.360 1.00 0.00 O ATOM 947 CB ILE A 63 1.680 -4.128 -8.176 1.00 0.00 C ATOM 948 CG1 ILE A 63 0.422 -4.997 -8.107 1.00 0.00 C ATOM 949 CG2 ILE A 63 2.835 -4.908 -8.784 1.00 0.00 C ATOM 950 CD1 ILE A 63 0.518 -6.126 -7.103 1.00 0.00 C ATOM 0 H ILE A 63 0.202 -2.669 -6.549 1.00 0.00 H new ATOM 0 HA ILE A 63 2.533 -4.415 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 63 1.467 -3.270 -8.814 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.431 -4.367 -7.852 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.226 -5.416 -9.094 1.00 0.00 H new ATOM 0 HG21 ILE A 63 2.551 -5.268 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.707 -4.259 -8.871 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.077 -5.757 -8.145 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -0.409 -6.699 -7.110 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.349 -6.779 -7.368 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.683 -5.714 -6.107 1.00 0.00 H new ATOM 962 N GLY A 64 4.299 -2.693 -6.581 1.00 0.00 N ATOM 963 CA GLY A 64 5.311 -1.658 -6.694 1.00 0.00 C ATOM 964 C GLY A 64 5.935 -1.607 -8.075 1.00 0.00 C ATOM 965 O GLY A 64 5.563 -2.378 -8.959 1.00 0.00 O ATOM 0 H GLY A 64 4.637 -3.586 -6.222 1.00 0.00 H new ATOM 0 HA2 GLY A 64 4.864 -0.691 -6.464 1.00 0.00 H new ATOM 0 HA3 GLY A 64 6.090 -1.833 -5.952 1.00 0.00 H new ATOM 969 N LYS A 65 6.884 -0.696 -8.260 1.00 0.00 N ATOM 970 CA LYS A 65 7.560 -0.546 -9.544 1.00 0.00 C ATOM 971 C LYS A 65 8.437 -1.757 -9.846 1.00 0.00 C ATOM 972 O LYS A 65 8.762 -2.541 -8.955 1.00 0.00 O ATOM 973 CB LYS A 65 8.404 0.727 -9.555 1.00 0.00 C ATOM 974 CG LYS A 65 7.710 1.903 -10.219 1.00 0.00 C ATOM 975 CD LYS A 65 8.590 3.144 -10.219 1.00 0.00 C ATOM 976 CE LYS A 65 7.843 4.357 -10.750 1.00 0.00 C ATOM 977 NZ LYS A 65 7.386 5.252 -9.652 1.00 0.00 N ATOM 0 H LYS A 65 7.203 -0.050 -7.538 1.00 0.00 H new ATOM 0 HA LYS A 65 6.797 -0.473 -10.319 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.657 0.996 -8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.342 0.528 -10.073 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.449 1.641 -11.244 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.777 2.118 -9.698 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.938 3.345 -9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.475 2.964 -10.830 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.490 4.914 -11.427 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.982 4.027 -11.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.034 6.144 -10.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.623 4.787 -9.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.182 5.451 -9.013 1.00 0.00 H new ATOM 991 N VAL A 66 8.816 -1.900 -11.111 1.00 0.00 N ATOM 992 CA VAL A 66 9.655 -3.011 -11.537 1.00 0.00 C ATOM 993 C VAL A 66 11.123 -2.599 -11.606 1.00 0.00 C ATOM 994 O VAL A 66 11.821 -2.900 -12.575 1.00 0.00 O ATOM 995 CB VAL A 66 9.210 -3.552 -12.912 1.00 0.00 C ATOM 996 CG1 VAL A 66 9.366 -2.485 -13.988 1.00 0.00 C ATOM 997 CG2 VAL A 66 9.992 -4.805 -13.273 1.00 0.00 C ATOM 0 H VAL A 66 8.554 -1.259 -11.860 1.00 0.00 H new ATOM 0 HA VAL A 66 9.543 -3.800 -10.793 1.00 0.00 H new ATOM 0 HB VAL A 66 8.154 -3.817 -12.851 1.00 0.00 H new ATOM 0 HG11 VAL A 66 9.047 -2.888 -14.949 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.752 -1.621 -13.735 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.411 -2.182 -14.051 1.00 0.00 H new ATOM 0 HG21 VAL A 66 9.664 -5.171 -14.246 1.00 0.00 H new ATOM 0 HG22 VAL A 66 11.056 -4.571 -13.314 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.818 -5.572 -12.519 1.00 0.00 H new ATOM 1007 N ASP A 67 11.587 -1.910 -10.568 1.00 0.00 N ATOM 1008 CA ASP A 67 12.971 -1.456 -10.510 1.00 0.00 C ATOM 1009 C ASP A 67 13.912 -2.619 -10.214 1.00 0.00 C ATOM 1010 O ASP A 67 13.850 -3.226 -9.144 1.00 0.00 O ATOM 1011 CB ASP A 67 13.131 -0.372 -9.442 1.00 0.00 C ATOM 1012 CG ASP A 67 12.368 0.892 -9.782 1.00 0.00 C ATOM 1013 OD1 ASP A 67 11.985 1.057 -10.961 1.00 0.00 O ATOM 1014 OD2 ASP A 67 12.152 1.719 -8.872 1.00 0.00 O ATOM 0 H ASP A 67 11.025 -1.654 -9.756 1.00 0.00 H new ATOM 0 HA ASP A 67 13.231 -1.039 -11.483 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.783 -0.756 -8.483 1.00 0.00 H new ATOM 0 HB3 ASP A 67 14.188 -0.134 -9.325 1.00 0.00 H new ATOM 1019 N GLU A 68 14.783 -2.928 -11.170 1.00 0.00 N ATOM 1020 CA GLU A 68 15.737 -4.018 -11.013 1.00 0.00 C ATOM 1021 C GLU A 68 17.159 -3.482 -10.901 1.00 0.00 C ATOM 1022 O GLU A 68 18.104 -4.084 -11.415 1.00 0.00 O ATOM 1023 CB GLU A 68 15.630 -4.988 -12.191 1.00 0.00 C ATOM 1024 CG GLU A 68 16.099 -4.399 -13.513 1.00 0.00 C ATOM 1025 CD GLU A 68 15.852 -5.327 -14.688 1.00 0.00 C ATOM 1026 OE1 GLU A 68 15.486 -6.498 -14.454 1.00 0.00 O ATOM 1027 OE2 GLU A 68 16.025 -4.881 -15.842 1.00 0.00 O ATOM 0 H GLU A 68 14.847 -2.438 -12.062 1.00 0.00 H new ATOM 0 HA GLU A 68 15.498 -4.551 -10.093 1.00 0.00 H new ATOM 0 HB2 GLU A 68 16.218 -5.879 -11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.593 -5.308 -12.294 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.585 -3.454 -13.688 1.00 0.00 H new ATOM 0 HG3 GLU A 68 17.164 -4.176 -13.449 1.00 0.00 H new ATOM 1034 N SER A 69 17.303 -2.349 -10.225 1.00 0.00 N ATOM 1035 CA SER A 69 18.610 -1.728 -10.041 1.00 0.00 C ATOM 1036 C SER A 69 19.550 -2.647 -9.271 1.00 0.00 C ATOM 1037 O SER A 69 20.770 -2.576 -9.422 1.00 0.00 O ATOM 1038 CB SER A 69 18.466 -0.393 -9.307 1.00 0.00 C ATOM 1039 OG SER A 69 17.567 0.467 -9.985 1.00 0.00 O ATOM 0 H SER A 69 16.531 -1.841 -9.795 1.00 0.00 H new ATOM 0 HA SER A 69 19.038 -1.548 -11.027 1.00 0.00 H new ATOM 0 HB2 SER A 69 18.110 -0.569 -8.292 1.00 0.00 H new ATOM 0 HB3 SER A 69 19.441 0.087 -9.224 1.00 0.00 H new ATOM 0 HG SER A 69 17.491 1.312 -9.495 1.00 0.00 H new ATOM 1045 N LYS A 70 18.973 -3.511 -8.446 1.00 0.00 N ATOM 1046 CA LYS A 70 19.754 -4.448 -7.649 1.00 0.00 C ATOM 1047 C LYS A 70 20.553 -5.391 -8.543 1.00 0.00 C ATOM 1048 O LYS A 70 21.687 -5.752 -8.226 1.00 0.00 O ATOM 1049 CB LYS A 70 18.838 -5.256 -6.728 1.00 0.00 C ATOM 1050 CG LYS A 70 18.143 -4.413 -5.670 1.00 0.00 C ATOM 1051 CD LYS A 70 17.256 -5.263 -4.776 1.00 0.00 C ATOM 1052 CE LYS A 70 18.078 -6.134 -3.840 1.00 0.00 C ATOM 1053 NZ LYS A 70 18.270 -5.492 -2.510 1.00 0.00 N ATOM 0 H LYS A 70 17.964 -3.582 -8.311 1.00 0.00 H new ATOM 0 HA LYS A 70 20.453 -3.872 -7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 70 18.084 -5.761 -7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 70 19.424 -6.032 -6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.890 -3.901 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 70 17.543 -3.643 -6.154 1.00 0.00 H new ATOM 0 HD2 LYS A 70 16.601 -4.617 -4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 70 16.615 -5.894 -5.392 1.00 0.00 H new ATOM 0 HE2 LYS A 70 17.583 -7.096 -3.711 1.00 0.00 H new ATOM 0 HE3 LYS A 70 19.050 -6.334 -4.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.835 -6.117 -1.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 18.765 -4.586 -2.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 17.343 -5.324 -2.069 1.00 0.00 H new ATOM 1067 N LYS A 71 19.955 -5.787 -9.661 1.00 0.00 N ATOM 1068 CA LYS A 71 20.611 -6.689 -10.601 1.00 0.00 C ATOM 1069 C LYS A 71 21.093 -5.933 -11.836 1.00 0.00 C ATOM 1070 O LYS A 71 20.425 -5.018 -12.315 1.00 0.00 O ATOM 1071 CB LYS A 71 19.657 -7.810 -11.015 1.00 0.00 C ATOM 1072 CG LYS A 71 19.602 -8.959 -10.023 1.00 0.00 C ATOM 1073 CD LYS A 71 18.808 -8.584 -8.781 1.00 0.00 C ATOM 1074 CE LYS A 71 18.774 -9.725 -7.776 1.00 0.00 C ATOM 1075 NZ LYS A 71 17.586 -9.644 -6.883 1.00 0.00 N ATOM 0 H LYS A 71 19.017 -5.498 -9.939 1.00 0.00 H new ATOM 0 HA LYS A 71 21.477 -7.124 -10.103 1.00 0.00 H new ATOM 0 HB2 LYS A 71 18.655 -7.397 -11.136 1.00 0.00 H new ATOM 0 HB3 LYS A 71 19.963 -8.195 -11.988 1.00 0.00 H new ATOM 0 HG2 LYS A 71 19.149 -9.829 -10.497 1.00 0.00 H new ATOM 0 HG3 LYS A 71 20.615 -9.243 -9.737 1.00 0.00 H new ATOM 0 HD2 LYS A 71 19.251 -7.702 -8.317 1.00 0.00 H new ATOM 0 HD3 LYS A 71 17.790 -8.318 -9.065 1.00 0.00 H new ATOM 0 HE2 LYS A 71 18.764 -10.677 -8.308 1.00 0.00 H new ATOM 0 HE3 LYS A 71 19.682 -9.706 -7.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 17.899 -9.596 -5.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 17.036 -8.792 -7.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 16.992 -10.487 -7.018 1.00 0.00 H new ATOM 1089 N ARG A 72 22.256 -6.324 -12.343 1.00 0.00 N ATOM 1090 CA ARG A 72 22.829 -5.683 -13.521 1.00 0.00 C ATOM 1091 C ARG A 72 22.024 -6.024 -14.770 1.00 0.00 C ATOM 1092 O ARG A 72 21.732 -7.191 -15.034 1.00 0.00 O ATOM 1093 CB ARG A 72 24.284 -6.115 -13.706 1.00 0.00 C ATOM 1094 CG ARG A 72 25.199 -5.673 -12.575 1.00 0.00 C ATOM 1095 CD ARG A 72 26.639 -6.092 -12.825 1.00 0.00 C ATOM 1096 NE ARG A 72 27.234 -5.364 -13.942 1.00 0.00 N ATOM 1097 CZ ARG A 72 28.437 -5.635 -14.446 1.00 0.00 C ATOM 1098 NH1 ARG A 72 29.174 -6.614 -13.934 1.00 0.00 N ATOM 1099 NH2 ARG A 72 28.905 -4.925 -15.463 1.00 0.00 N ATOM 0 H ARG A 72 22.821 -7.081 -11.958 1.00 0.00 H new ATOM 0 HA ARG A 72 22.794 -4.604 -13.370 1.00 0.00 H new ATOM 0 HB2 ARG A 72 24.324 -7.201 -13.791 1.00 0.00 H new ATOM 0 HB3 ARG A 72 24.658 -5.708 -14.645 1.00 0.00 H new ATOM 0 HG2 ARG A 72 25.148 -4.590 -12.467 1.00 0.00 H new ATOM 0 HG3 ARG A 72 24.852 -6.104 -11.636 1.00 0.00 H new ATOM 0 HD2 ARG A 72 27.228 -5.919 -11.925 1.00 0.00 H new ATOM 0 HD3 ARG A 72 26.675 -7.162 -13.029 1.00 0.00 H new ATOM 0 HE ARG A 72 26.698 -4.604 -14.361 1.00 0.00 H new ATOM 0 HH11 ARG A 72 28.820 -7.163 -13.151 1.00 0.00 H new ATOM 0 HH12 ARG A 72 30.094 -6.817 -14.324 1.00 0.00 H new ATOM 0 HH21 ARG A 72 28.344 -4.171 -15.860 1.00 0.00 H new ATOM 0 HH22 ARG A 72 29.826 -5.133 -15.849 1.00 0.00 H new ATOM 1113 N LYS A 73 21.667 -4.999 -15.536 1.00 0.00 N ATOM 1114 CA LYS A 73 20.895 -5.187 -16.759 1.00 0.00 C ATOM 1115 C LYS A 73 21.812 -5.497 -17.939 1.00 0.00 C ATOM 1116 O LYS A 73 23.014 -5.240 -17.887 1.00 0.00 O ATOM 1117 CB LYS A 73 20.062 -3.940 -17.058 1.00 0.00 C ATOM 1118 CG LYS A 73 20.897 -2.710 -17.373 1.00 0.00 C ATOM 1119 CD LYS A 73 20.028 -1.474 -17.536 1.00 0.00 C ATOM 1120 CE LYS A 73 20.811 -0.317 -18.134 1.00 0.00 C ATOM 1121 NZ LYS A 73 21.015 -0.482 -19.600 1.00 0.00 N ATOM 0 H LYS A 73 21.900 -4.027 -15.331 1.00 0.00 H new ATOM 0 HA LYS A 73 20.226 -6.034 -16.610 1.00 0.00 H new ATOM 0 HB2 LYS A 73 19.403 -4.147 -17.901 1.00 0.00 H new ATOM 0 HB3 LYS A 73 19.424 -3.726 -16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 73 21.620 -2.545 -16.574 1.00 0.00 H new ATOM 0 HG3 LYS A 73 21.466 -2.879 -18.287 1.00 0.00 H new ATOM 0 HD2 LYS A 73 19.177 -1.708 -18.176 1.00 0.00 H new ATOM 0 HD3 LYS A 73 19.626 -1.180 -16.566 1.00 0.00 H new ATOM 0 HE2 LYS A 73 20.281 0.616 -17.944 1.00 0.00 H new ATOM 0 HE3 LYS A 73 21.779 -0.240 -17.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 21.493 0.359 -19.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 21.601 -1.323 -19.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 20.093 -0.598 -20.068 1.00 0.00 H new ATOM 1135 N ASP A 74 21.236 -6.052 -19.000 1.00 0.00 N ATOM 1136 CA ASP A 74 22.002 -6.395 -20.192 1.00 0.00 C ATOM 1137 C ASP A 74 22.588 -5.149 -20.842 1.00 0.00 C ATOM 1138 O ASP A 74 23.759 -4.824 -20.648 1.00 0.00 O ATOM 1139 CB ASP A 74 21.122 -7.151 -21.191 1.00 0.00 C ATOM 1140 CG ASP A 74 21.160 -8.652 -20.976 1.00 0.00 C ATOM 1141 OD1 ASP A 74 22.061 -9.308 -21.538 1.00 0.00 O ATOM 1142 OD2 ASP A 74 20.289 -9.169 -20.246 1.00 0.00 O ATOM 0 H ASP A 74 20.242 -6.274 -19.059 1.00 0.00 H new ATOM 0 HA ASP A 74 22.827 -7.040 -19.890 1.00 0.00 H new ATOM 0 HB2 ASP A 74 20.094 -6.800 -21.103 1.00 0.00 H new ATOM 0 HB3 ASP A 74 21.451 -6.924 -22.205 1.00 0.00 H new ATOM 1147 N ASN A 75 21.761 -4.457 -21.610 1.00 0.00 N ATOM 1148 CA ASN A 75 22.182 -3.238 -22.295 1.00 0.00 C ATOM 1149 C ASN A 75 21.080 -2.715 -23.207 1.00 0.00 C ATOM 1150 O ASN A 75 20.921 -1.507 -23.381 1.00 0.00 O ATOM 1151 CB ASN A 75 23.458 -3.490 -23.107 1.00 0.00 C ATOM 1152 CG ASN A 75 24.566 -2.513 -22.763 1.00 0.00 C ATOM 1153 OD1 ASN A 75 25.733 -2.891 -22.662 1.00 0.00 O ATOM 1154 ND2 ASN A 75 24.203 -1.248 -22.581 1.00 0.00 N ATOM 0 H ASN A 75 20.789 -4.718 -21.777 1.00 0.00 H new ATOM 0 HA ASN A 75 22.389 -2.483 -21.536 1.00 0.00 H new ATOM 0 HB2 ASN A 75 23.805 -4.507 -22.926 1.00 0.00 H new ATOM 0 HB3 ASN A 75 23.229 -3.416 -24.170 1.00 0.00 H new ATOM 0 HD21 ASN A 75 24.904 -0.545 -22.347 1.00 0.00 H new ATOM 0 HD22 ASN A 75 23.223 -0.980 -22.675 1.00 0.00 H new ATOM 1161 N GLU A 76 20.324 -3.635 -23.785 1.00 0.00 N ATOM 1162 CA GLU A 76 19.231 -3.278 -24.683 1.00 0.00 C ATOM 1163 C GLU A 76 17.898 -3.793 -24.154 1.00 0.00 C ATOM 1164 O GLU A 76 17.042 -4.236 -24.921 1.00 0.00 O ATOM 1165 CB GLU A 76 19.491 -3.837 -26.083 1.00 0.00 C ATOM 1166 CG GLU A 76 20.638 -3.153 -26.808 1.00 0.00 C ATOM 1167 CD GLU A 76 21.997 -3.645 -26.346 1.00 0.00 C ATOM 1168 OE1 GLU A 76 22.060 -4.738 -25.744 1.00 0.00 O ATOM 1169 OE2 GLU A 76 22.997 -2.938 -26.587 1.00 0.00 O ATOM 0 H GLU A 76 20.446 -4.639 -23.649 1.00 0.00 H new ATOM 0 HA GLU A 76 19.180 -2.191 -24.737 1.00 0.00 H new ATOM 0 HB2 GLU A 76 19.705 -4.903 -26.005 1.00 0.00 H new ATOM 0 HB3 GLU A 76 18.584 -3.737 -26.679 1.00 0.00 H new ATOM 0 HG2 GLU A 76 20.539 -3.324 -27.880 1.00 0.00 H new ATOM 0 HG3 GLU A 76 20.572 -2.077 -26.650 1.00 0.00 H new ATOM 1176 N GLY A 77 17.727 -3.728 -22.839 1.00 0.00 N ATOM 1177 CA GLY A 77 16.494 -4.187 -22.224 1.00 0.00 C ATOM 1178 C GLY A 77 16.154 -5.620 -22.589 1.00 0.00 C ATOM 1179 O GLY A 77 14.981 -5.983 -22.676 1.00 0.00 O ATOM 0 H GLY A 77 18.421 -3.365 -22.186 1.00 0.00 H new ATOM 0 HA2 GLY A 77 16.580 -4.103 -21.141 1.00 0.00 H new ATOM 0 HA3 GLY A 77 15.676 -3.535 -22.530 1.00 0.00 H new ATOM 1183 N ASN A 78 17.182 -6.435 -22.803 1.00 0.00 N ATOM 1184 CA ASN A 78 16.983 -7.835 -23.160 1.00 0.00 C ATOM 1185 C ASN A 78 17.251 -8.745 -21.966 1.00 0.00 C ATOM 1186 O ASN A 78 18.075 -8.429 -21.106 1.00 0.00 O ATOM 1187 CB ASN A 78 17.894 -8.220 -24.327 1.00 0.00 C ATOM 1188 CG ASN A 78 19.358 -7.976 -24.022 1.00 0.00 C ATOM 1189 OD1 ASN A 78 19.799 -6.735 -24.193 1.00 0.00 O flip ATOM 1190 ND2 ASN A 78 20.087 -8.891 -23.639 1.00 0.00 N flip ATOM 0 H ASN A 78 18.159 -6.151 -22.736 1.00 0.00 H new ATOM 0 HA ASN A 78 15.944 -7.963 -23.463 1.00 0.00 H new ATOM 0 HB2 ASN A 78 17.746 -9.273 -24.568 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.610 -7.648 -25.210 1.00 0.00 H new ATOM 0 HD21 ASN A 78 19.707 -9.830 -23.521 1.00 0.00 H new ATOM 0 HD22 ASN A 78 21.071 -8.710 -23.440 1.00 0.00 H new ATOM 1197 N GLU A 79 16.552 -9.873 -21.918 1.00 0.00 N ATOM 1198 CA GLU A 79 16.714 -10.829 -20.828 1.00 0.00 C ATOM 1199 C GLU A 79 16.429 -10.175 -19.480 1.00 0.00 C ATOM 1200 O GLU A 79 17.011 -10.546 -18.462 1.00 0.00 O ATOM 1201 CB GLU A 79 18.130 -11.411 -20.836 1.00 0.00 C ATOM 1202 CG GLU A 79 18.302 -12.582 -21.789 1.00 0.00 C ATOM 1203 CD GLU A 79 18.374 -12.147 -23.240 1.00 0.00 C ATOM 1204 OE1 GLU A 79 18.747 -10.983 -23.493 1.00 0.00 O ATOM 1205 OE2 GLU A 79 18.056 -12.971 -24.123 1.00 0.00 O ATOM 0 H GLU A 79 15.867 -10.149 -22.622 1.00 0.00 H new ATOM 0 HA GLU A 79 15.996 -11.635 -20.979 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.835 -10.625 -21.108 1.00 0.00 H new ATOM 0 HB3 GLU A 79 18.387 -11.734 -19.827 1.00 0.00 H new ATOM 0 HG2 GLU A 79 19.211 -13.125 -21.531 1.00 0.00 H new ATOM 0 HG3 GLU A 79 17.470 -13.274 -21.662 1.00 0.00 H new ATOM 1212 N VAL A 80 15.528 -9.196 -19.483 1.00 0.00 N ATOM 1213 CA VAL A 80 15.165 -8.488 -18.262 1.00 0.00 C ATOM 1214 C VAL A 80 14.500 -9.426 -17.260 1.00 0.00 C ATOM 1215 O VAL A 80 13.785 -10.354 -17.642 1.00 0.00 O ATOM 1216 CB VAL A 80 14.217 -7.308 -18.559 1.00 0.00 C ATOM 1217 CG1 VAL A 80 12.927 -7.800 -19.199 1.00 0.00 C ATOM 1218 CG2 VAL A 80 13.927 -6.520 -17.289 1.00 0.00 C ATOM 0 H VAL A 80 15.037 -8.876 -20.318 1.00 0.00 H new ATOM 0 HA VAL A 80 16.089 -8.101 -17.832 1.00 0.00 H new ATOM 0 HB VAL A 80 14.711 -6.642 -19.266 1.00 0.00 H new ATOM 0 HG11 VAL A 80 12.274 -6.951 -19.400 1.00 0.00 H new ATOM 0 HG12 VAL A 80 13.157 -8.310 -20.134 1.00 0.00 H new ATOM 0 HG13 VAL A 80 12.426 -8.492 -18.522 1.00 0.00 H new ATOM 0 HG21 VAL A 80 13.257 -5.692 -17.520 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.457 -7.174 -16.555 1.00 0.00 H new ATOM 0 HG23 VAL A 80 14.860 -6.129 -16.882 1.00 0.00 H new ATOM 1228 N VAL A 81 14.740 -9.179 -15.976 1.00 0.00 N ATOM 1229 CA VAL A 81 14.165 -10.002 -14.919 1.00 0.00 C ATOM 1230 C VAL A 81 13.208 -9.187 -14.051 1.00 0.00 C ATOM 1231 O VAL A 81 13.610 -8.614 -13.039 1.00 0.00 O ATOM 1232 CB VAL A 81 15.259 -10.608 -14.021 1.00 0.00 C ATOM 1233 CG1 VAL A 81 15.973 -11.742 -14.742 1.00 0.00 C ATOM 1234 CG2 VAL A 81 16.247 -9.538 -13.585 1.00 0.00 C ATOM 0 H VAL A 81 15.329 -8.416 -15.643 1.00 0.00 H new ATOM 0 HA VAL A 81 13.617 -10.808 -15.407 1.00 0.00 H new ATOM 0 HB VAL A 81 14.785 -11.016 -13.128 1.00 0.00 H new ATOM 0 HG11 VAL A 81 16.743 -12.158 -14.092 1.00 0.00 H new ATOM 0 HG12 VAL A 81 15.254 -12.520 -14.998 1.00 0.00 H new ATOM 0 HG13 VAL A 81 16.434 -11.361 -15.653 1.00 0.00 H new ATOM 0 HG21 VAL A 81 17.012 -9.986 -12.951 1.00 0.00 H new ATOM 0 HG22 VAL A 81 16.717 -9.096 -14.464 1.00 0.00 H new ATOM 0 HG23 VAL A 81 15.721 -8.763 -13.027 1.00 0.00 H new ATOM 1244 N PRO A 82 11.921 -9.127 -14.439 1.00 0.00 N ATOM 1245 CA PRO A 82 10.906 -8.377 -13.690 1.00 0.00 C ATOM 1246 C PRO A 82 10.639 -8.979 -12.315 1.00 0.00 C ATOM 1247 O PRO A 82 10.498 -10.194 -12.174 1.00 0.00 O ATOM 1248 CB PRO A 82 9.658 -8.478 -14.570 1.00 0.00 C ATOM 1249 CG PRO A 82 9.872 -9.696 -15.402 1.00 0.00 C ATOM 1250 CD PRO A 82 11.356 -9.782 -15.632 1.00 0.00 C ATOM 0 HA PRO A 82 11.221 -7.352 -13.496 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.755 -8.566 -13.966 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.540 -7.591 -15.192 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.503 -10.587 -14.893 1.00 0.00 H new ATOM 0 HG3 PRO A 82 9.334 -9.623 -16.347 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.690 -10.816 -15.720 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.651 -9.272 -16.549 1.00 0.00 H new ATOM 1258 N LYS A 83 10.570 -8.120 -11.302 1.00 0.00 N ATOM 1259 CA LYS A 83 10.317 -8.566 -9.938 1.00 0.00 C ATOM 1260 C LYS A 83 9.958 -7.384 -9.038 1.00 0.00 C ATOM 1261 O LYS A 83 10.645 -7.108 -8.054 1.00 0.00 O ATOM 1262 CB LYS A 83 11.543 -9.295 -9.383 1.00 0.00 C ATOM 1263 CG LYS A 83 11.213 -10.289 -8.280 1.00 0.00 C ATOM 1264 CD LYS A 83 12.472 -10.852 -7.644 1.00 0.00 C ATOM 1265 CE LYS A 83 13.063 -9.888 -6.628 1.00 0.00 C ATOM 1266 NZ LYS A 83 14.551 -9.877 -6.673 1.00 0.00 N ATOM 0 H LYS A 83 10.686 -7.111 -11.401 1.00 0.00 H new ATOM 0 HA LYS A 83 9.472 -9.255 -9.956 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.042 -9.821 -10.197 1.00 0.00 H new ATOM 0 HB3 LYS A 83 12.249 -8.559 -8.998 1.00 0.00 H new ATOM 0 HG2 LYS A 83 10.606 -9.800 -7.518 1.00 0.00 H new ATOM 0 HG3 LYS A 83 10.615 -11.103 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.242 -11.800 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 83 13.209 -11.063 -8.419 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.687 -8.883 -6.819 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.732 -10.167 -5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.915 -9.207 -5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.912 -10.830 -6.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 14.868 -9.586 -7.620 1.00 0.00 H new ATOM 1280 N PRO A 84 8.870 -6.666 -9.368 1.00 0.00 N ATOM 1281 CA PRO A 84 8.420 -5.510 -8.587 1.00 0.00 C ATOM 1282 C PRO A 84 7.938 -5.903 -7.195 1.00 0.00 C ATOM 1283 O PRO A 84 7.317 -6.950 -7.016 1.00 0.00 O ATOM 1284 CB PRO A 84 7.262 -4.944 -9.414 1.00 0.00 C ATOM 1285 CG PRO A 84 6.779 -6.091 -10.231 1.00 0.00 C ATOM 1286 CD PRO A 84 7.994 -6.927 -10.524 1.00 0.00 C ATOM 0 HA PRO A 84 9.227 -4.797 -8.419 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.471 -4.555 -8.772 1.00 0.00 H new ATOM 0 HB3 PRO A 84 7.593 -4.120 -10.046 1.00 0.00 H new ATOM 0 HG2 PRO A 84 6.029 -6.668 -9.690 1.00 0.00 H new ATOM 0 HG3 PRO A 84 6.311 -5.745 -11.153 1.00 0.00 H new ATOM 0 HD2 PRO A 84 7.744 -7.985 -10.609 1.00 0.00 H new ATOM 0 HD3 PRO A 84 8.467 -6.635 -11.462 1.00 0.00 H new ATOM 1294 N GLN A 85 8.227 -5.057 -6.212 1.00 0.00 N ATOM 1295 CA GLN A 85 7.819 -5.316 -4.837 1.00 0.00 C ATOM 1296 C GLN A 85 6.363 -4.924 -4.619 1.00 0.00 C ATOM 1297 O GLN A 85 5.959 -3.802 -4.920 1.00 0.00 O ATOM 1298 CB GLN A 85 8.718 -4.549 -3.862 1.00 0.00 C ATOM 1299 CG GLN A 85 10.079 -5.194 -3.658 1.00 0.00 C ATOM 1300 CD GLN A 85 10.000 -6.480 -2.861 1.00 0.00 C ATOM 1301 OE1 GLN A 85 9.375 -6.532 -1.801 1.00 0.00 O ATOM 1302 NE2 GLN A 85 10.639 -7.530 -3.366 1.00 0.00 N ATOM 0 H GLN A 85 8.742 -4.186 -6.342 1.00 0.00 H new ATOM 0 HA GLN A 85 7.921 -6.385 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 85 8.858 -3.533 -4.231 1.00 0.00 H new ATOM 0 HB3 GLN A 85 8.213 -4.471 -2.899 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.529 -5.400 -4.629 1.00 0.00 H new ATOM 0 HG3 GLN A 85 10.736 -4.492 -3.145 1.00 0.00 H new ATOM 0 HE21 GLN A 85 11.145 -7.444 -4.247 1.00 0.00 H new ATOM 0 HE22 GLN A 85 10.623 -8.422 -2.872 1.00 0.00 H new ATOM 1311 N ARG A 86 5.578 -5.858 -4.096 1.00 0.00 N ATOM 1312 CA ARG A 86 4.164 -5.613 -3.841 1.00 0.00 C ATOM 1313 C ARG A 86 3.808 -5.923 -2.391 1.00 0.00 C ATOM 1314 O ARG A 86 4.408 -6.799 -1.767 1.00 0.00 O ATOM 1315 CB ARG A 86 3.304 -6.458 -4.782 1.00 0.00 C ATOM 1316 CG ARG A 86 3.610 -7.945 -4.715 1.00 0.00 C ATOM 1317 CD ARG A 86 3.135 -8.668 -5.964 1.00 0.00 C ATOM 1318 NE ARG A 86 3.604 -10.050 -6.009 1.00 0.00 N ATOM 1319 CZ ARG A 86 3.588 -10.805 -7.105 1.00 0.00 C ATOM 1320 NH1 ARG A 86 3.127 -10.315 -8.249 1.00 0.00 N ATOM 1321 NH2 ARG A 86 4.033 -12.054 -7.058 1.00 0.00 N ATOM 0 H ARG A 86 5.897 -6.792 -3.840 1.00 0.00 H new ATOM 0 HA ARG A 86 3.965 -4.557 -4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 86 2.253 -6.301 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 86 3.451 -6.111 -5.805 1.00 0.00 H new ATOM 0 HG2 ARG A 86 4.683 -8.092 -4.594 1.00 0.00 H new ATOM 0 HG3 ARG A 86 3.129 -8.377 -3.838 1.00 0.00 H new ATOM 0 HD2 ARG A 86 2.046 -8.654 -5.999 1.00 0.00 H new ATOM 0 HD3 ARG A 86 3.489 -8.136 -6.847 1.00 0.00 H new ATOM 0 HE ARG A 86 3.966 -10.462 -5.149 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.783 -9.356 -8.291 1.00 0.00 H new ATOM 0 HH12 ARG A 86 3.117 -10.898 -9.086 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.388 -12.436 -6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.020 -12.632 -7.898 1.00 0.00 H new ATOM 1335 N HIS A 87 2.827 -5.199 -1.861 1.00 0.00 N ATOM 1336 CA HIS A 87 2.389 -5.397 -0.483 1.00 0.00 C ATOM 1337 C HIS A 87 0.942 -5.873 -0.438 1.00 0.00 C ATOM 1338 O HIS A 87 0.049 -5.226 -0.986 1.00 0.00 O ATOM 1339 CB HIS A 87 2.535 -4.100 0.312 1.00 0.00 C ATOM 1340 CG HIS A 87 3.955 -3.746 0.629 1.00 0.00 C ATOM 1341 ND1 HIS A 87 4.426 -3.609 1.918 1.00 0.00 N ATOM 1342 CD2 HIS A 87 5.009 -3.500 -0.184 1.00 0.00 C ATOM 1343 CE1 HIS A 87 5.709 -3.293 1.885 1.00 0.00 C ATOM 1344 NE2 HIS A 87 6.087 -3.222 0.622 1.00 0.00 N ATOM 0 H HIS A 87 2.321 -4.470 -2.364 1.00 0.00 H new ATOM 0 HA HIS A 87 3.020 -6.163 -0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 87 2.084 -3.285 -0.254 1.00 0.00 H new ATOM 0 HB3 HIS A 87 1.975 -4.190 1.243 1.00 0.00 H new ATOM 0 HD1 HIS A 87 3.871 -3.732 2.765 1.00 0.00 H new ATOM 0 HD2 HIS A 87 5.004 -3.519 -1.264 1.00 0.00 H new ATOM 0 HE1 HIS A 87 6.340 -3.122 2.744 1.00 0.00 H new ATOM 1353 N MET A 88 0.715 -7.005 0.220 1.00 0.00 N ATOM 1354 CA MET A 88 -0.626 -7.561 0.337 1.00 0.00 C ATOM 1355 C MET A 88 -1.276 -7.130 1.646 1.00 0.00 C ATOM 1356 O MET A 88 -0.862 -7.550 2.726 1.00 0.00 O ATOM 1357 CB MET A 88 -0.577 -9.089 0.259 1.00 0.00 C ATOM 1358 CG MET A 88 -0.062 -9.615 -1.071 1.00 0.00 C ATOM 1359 SD MET A 88 -0.115 -11.415 -1.171 1.00 0.00 S ATOM 1360 CE MET A 88 0.778 -11.695 -2.698 1.00 0.00 C ATOM 0 H MET A 88 1.442 -7.554 0.679 1.00 0.00 H new ATOM 0 HA MET A 88 -1.225 -7.181 -0.491 1.00 0.00 H new ATOM 0 HB2 MET A 88 0.060 -9.465 1.060 1.00 0.00 H new ATOM 0 HB3 MET A 88 -1.577 -9.486 0.434 1.00 0.00 H new ATOM 0 HG2 MET A 88 -0.657 -9.192 -1.880 1.00 0.00 H new ATOM 0 HG3 MET A 88 0.963 -9.276 -1.219 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.106 -12.130 -3.438 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.165 -10.747 -3.072 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.607 -12.378 -2.515 1.00 0.00 H new ATOM 1370 N PHE A 89 -2.296 -6.285 1.544 1.00 0.00 N ATOM 1371 CA PHE A 89 -3.001 -5.793 2.721 1.00 0.00 C ATOM 1372 C PHE A 89 -4.351 -6.483 2.882 1.00 0.00 C ATOM 1373 O PHE A 89 -5.003 -6.829 1.898 1.00 0.00 O ATOM 1374 CB PHE A 89 -3.202 -4.281 2.626 1.00 0.00 C ATOM 1375 CG PHE A 89 -1.953 -3.493 2.893 1.00 0.00 C ATOM 1376 CD1 PHE A 89 -1.540 -3.249 4.192 1.00 0.00 C ATOM 1377 CD2 PHE A 89 -1.194 -2.995 1.847 1.00 0.00 C ATOM 1378 CE1 PHE A 89 -0.390 -2.523 4.444 1.00 0.00 C ATOM 1379 CE2 PHE A 89 -0.045 -2.269 2.090 1.00 0.00 C ATOM 1380 CZ PHE A 89 0.358 -2.032 3.391 1.00 0.00 C ATOM 0 H PHE A 89 -2.653 -5.927 0.658 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.391 -6.021 3.595 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -3.572 -4.034 1.631 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -3.971 -3.979 3.337 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -2.123 -3.630 5.018 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -1.505 -3.177 0.829 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -0.077 -2.340 5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.538 -1.887 1.265 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.256 -1.464 3.584 1.00 0.00 H new ATOM 1390 N SER A 90 -4.767 -6.669 4.130 1.00 0.00 N ATOM 1391 CA SER A 90 -6.043 -7.307 4.426 1.00 0.00 C ATOM 1392 C SER A 90 -6.929 -6.367 5.234 1.00 0.00 C ATOM 1393 O SER A 90 -6.465 -5.718 6.172 1.00 0.00 O ATOM 1394 CB SER A 90 -5.825 -8.615 5.190 1.00 0.00 C ATOM 1395 OG SER A 90 -7.055 -9.151 5.646 1.00 0.00 O ATOM 0 H SER A 90 -4.237 -6.386 4.954 1.00 0.00 H new ATOM 0 HA SER A 90 -6.541 -7.535 3.484 1.00 0.00 H new ATOM 0 HB2 SER A 90 -5.327 -9.338 4.544 1.00 0.00 H new ATOM 0 HB3 SER A 90 -5.165 -8.438 6.039 1.00 0.00 H new ATOM 0 HG SER A 90 -6.880 -9.894 6.261 1.00 0.00 H new ATOM 1401 N PHE A 91 -8.200 -6.280 4.856 1.00 0.00 N ATOM 1402 CA PHE A 91 -9.135 -5.400 5.540 1.00 0.00 C ATOM 1403 C PHE A 91 -10.195 -6.177 6.300 1.00 0.00 C ATOM 1404 O PHE A 91 -10.543 -7.302 5.942 1.00 0.00 O ATOM 1405 CB PHE A 91 -9.813 -4.479 4.532 1.00 0.00 C ATOM 1406 CG PHE A 91 -8.967 -3.310 4.141 1.00 0.00 C ATOM 1407 CD1 PHE A 91 -7.878 -3.480 3.306 1.00 0.00 C ATOM 1408 CD2 PHE A 91 -9.258 -2.046 4.615 1.00 0.00 C ATOM 1409 CE1 PHE A 91 -7.090 -2.407 2.946 1.00 0.00 C ATOM 1410 CE2 PHE A 91 -8.476 -0.963 4.260 1.00 0.00 C ATOM 1411 CZ PHE A 91 -7.389 -1.145 3.423 1.00 0.00 C ATOM 0 H PHE A 91 -8.604 -6.807 4.082 1.00 0.00 H new ATOM 0 HA PHE A 91 -8.564 -4.815 6.260 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.066 -5.051 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -10.750 -4.116 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -7.642 -4.465 2.931 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -10.105 -1.902 5.270 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -6.242 -2.553 2.293 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -8.712 0.022 4.635 1.00 0.00 H new ATOM 0 HZ PHE A 91 -6.775 -0.302 3.143 1.00 0.00 H new ATOM 1421 N ASN A 92 -10.723 -5.546 7.339 1.00 0.00 N ATOM 1422 CA ASN A 92 -11.768 -6.141 8.149 1.00 0.00 C ATOM 1423 C ASN A 92 -13.093 -5.425 7.904 1.00 0.00 C ATOM 1424 O ASN A 92 -14.081 -5.674 8.596 1.00 0.00 O ATOM 1425 CB ASN A 92 -11.401 -6.073 9.633 1.00 0.00 C ATOM 1426 CG ASN A 92 -12.396 -6.808 10.509 1.00 0.00 C ATOM 1427 OD1 ASN A 92 -13.217 -6.191 11.189 1.00 0.00 O ATOM 1428 ND2 ASN A 92 -12.327 -8.133 10.500 1.00 0.00 N ATOM 0 H ASN A 92 -10.439 -4.614 7.640 1.00 0.00 H new ATOM 0 HA ASN A 92 -11.873 -7.188 7.865 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -10.408 -6.499 9.779 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -11.349 -5.030 9.944 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -12.970 -8.681 11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -11.631 -8.604 9.922 1.00 0.00 H new ATOM 1435 N ASN A 93 -13.111 -4.531 6.911 1.00 0.00 N ATOM 1436 CA ASN A 93 -14.316 -3.784 6.583 1.00 0.00 C ATOM 1437 C ASN A 93 -14.326 -3.372 5.117 1.00 0.00 C ATOM 1438 O ASN A 93 -13.409 -2.701 4.643 1.00 0.00 O ATOM 1439 CB ASN A 93 -14.438 -2.550 7.477 1.00 0.00 C ATOM 1440 CG ASN A 93 -15.735 -1.799 7.251 1.00 0.00 C ATOM 1441 OD1 ASN A 93 -15.752 -0.741 6.620 1.00 0.00 O ATOM 1442 ND2 ASN A 93 -16.831 -2.342 7.767 1.00 0.00 N ATOM 0 H ASN A 93 -12.305 -4.312 6.326 1.00 0.00 H new ATOM 0 HA ASN A 93 -15.172 -4.435 6.759 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -14.375 -2.854 8.522 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -13.597 -1.883 7.288 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -17.733 -1.881 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -16.771 -3.220 8.283 1.00 0.00 H new ATOM 1449 N ARG A 94 -15.373 -3.774 4.403 1.00 0.00 N ATOM 1450 CA ARG A 94 -15.508 -3.444 2.990 1.00 0.00 C ATOM 1451 C ARG A 94 -15.529 -1.933 2.786 1.00 0.00 C ATOM 1452 O ARG A 94 -14.939 -1.416 1.838 1.00 0.00 O ATOM 1453 CB ARG A 94 -16.783 -4.067 2.418 1.00 0.00 C ATOM 1454 CG ARG A 94 -16.898 -3.938 0.908 1.00 0.00 C ATOM 1455 CD ARG A 94 -18.149 -4.623 0.381 1.00 0.00 C ATOM 1456 NE ARG A 94 -18.145 -6.058 0.654 1.00 0.00 N ATOM 1457 CZ ARG A 94 -18.601 -6.606 1.779 1.00 0.00 C ATOM 1458 NH1 ARG A 94 -19.103 -5.843 2.745 1.00 0.00 N ATOM 1459 NH2 ARG A 94 -18.558 -7.921 1.941 1.00 0.00 N ATOM 0 H ARG A 94 -16.141 -4.329 4.781 1.00 0.00 H new ATOM 0 HA ARG A 94 -14.646 -3.852 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -16.814 -5.123 2.688 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -17.648 -3.594 2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -16.917 -2.883 0.633 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -16.017 -4.375 0.437 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -19.029 -4.170 0.837 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -18.226 -4.459 -0.694 1.00 0.00 H new ATOM 0 HE ARG A 94 -17.769 -6.680 -0.062 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -19.141 -4.831 2.627 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -19.450 -6.270 3.604 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -18.176 -8.513 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -18.907 -8.340 2.803 1.00 0.00 H new ATOM 1473 N THR A 95 -16.211 -1.229 3.682 1.00 0.00 N ATOM 1474 CA THR A 95 -16.309 0.208 3.606 1.00 0.00 C ATOM 1475 C THR A 95 -14.949 0.858 3.800 1.00 0.00 C ATOM 1476 O THR A 95 -14.579 1.785 3.081 1.00 0.00 O ATOM 1477 CB THR A 95 -17.288 0.686 4.668 1.00 0.00 C ATOM 1478 OG1 THR A 95 -18.152 -0.366 5.064 1.00 0.00 O ATOM 1479 CG2 THR A 95 -18.150 1.828 4.207 1.00 0.00 C ATOM 0 H THR A 95 -16.705 -1.642 4.473 1.00 0.00 H new ATOM 0 HA THR A 95 -16.668 0.494 2.618 1.00 0.00 H new ATOM 0 HB THR A 95 -16.670 1.026 5.499 1.00 0.00 H new ATOM 0 HG1 THR A 95 -17.776 -0.821 5.847 1.00 0.00 H new ATOM 0 HG21 THR A 95 -18.826 2.121 5.011 1.00 0.00 H new ATOM 0 HG22 THR A 95 -17.519 2.674 3.937 1.00 0.00 H new ATOM 0 HG23 THR A 95 -18.732 1.517 3.339 1.00 0.00 H new ATOM 1487 N VAL A 96 -14.211 0.355 4.774 1.00 0.00 N ATOM 1488 CA VAL A 96 -12.884 0.872 5.069 1.00 0.00 C ATOM 1489 C VAL A 96 -11.909 0.509 3.960 1.00 0.00 C ATOM 1490 O VAL A 96 -10.988 1.265 3.653 1.00 0.00 O ATOM 1491 CB VAL A 96 -12.350 0.339 6.415 1.00 0.00 C ATOM 1492 CG1 VAL A 96 -10.958 0.886 6.699 1.00 0.00 C ATOM 1493 CG2 VAL A 96 -13.305 0.691 7.546 1.00 0.00 C ATOM 0 H VAL A 96 -14.508 -0.413 5.376 1.00 0.00 H new ATOM 0 HA VAL A 96 -12.970 1.956 5.138 1.00 0.00 H new ATOM 0 HB VAL A 96 -12.281 -0.747 6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -10.602 0.497 7.653 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -10.277 0.579 5.905 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -10.997 1.974 6.743 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -12.912 0.307 8.487 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -13.408 1.774 7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -14.280 0.244 7.351 1.00 0.00 H new ATOM 1503 N MET A 97 -12.125 -0.652 3.359 1.00 0.00 N ATOM 1504 CA MET A 97 -11.270 -1.119 2.277 1.00 0.00 C ATOM 1505 C MET A 97 -11.580 -0.366 0.985 1.00 0.00 C ATOM 1506 O MET A 97 -10.698 -0.152 0.154 1.00 0.00 O ATOM 1507 CB MET A 97 -11.426 -2.636 2.085 1.00 0.00 C ATOM 1508 CG MET A 97 -12.459 -3.044 1.044 1.00 0.00 C ATOM 1509 SD MET A 97 -11.724 -3.394 -0.565 1.00 0.00 S ATOM 1510 CE MET A 97 -12.972 -2.729 -1.662 1.00 0.00 C ATOM 0 H MET A 97 -12.885 -1.288 3.602 1.00 0.00 H new ATOM 0 HA MET A 97 -10.232 -0.917 2.542 1.00 0.00 H new ATOM 0 HB2 MET A 97 -10.460 -3.053 1.801 1.00 0.00 H new ATOM 0 HB3 MET A 97 -11.698 -3.083 3.041 1.00 0.00 H new ATOM 0 HG2 MET A 97 -12.993 -3.927 1.395 1.00 0.00 H new ATOM 0 HG3 MET A 97 -13.195 -2.247 0.937 1.00 0.00 H new ATOM 0 HE1 MET A 97 -13.020 -3.334 -2.567 1.00 0.00 H new ATOM 0 HE2 MET A 97 -13.941 -2.745 -1.163 1.00 0.00 H new ATOM 0 HE3 MET A 97 -12.716 -1.703 -1.925 1.00 0.00 H new ATOM 1520 N ASP A 98 -12.838 0.035 0.826 1.00 0.00 N ATOM 1521 CA ASP A 98 -13.258 0.765 -0.359 1.00 0.00 C ATOM 1522 C ASP A 98 -12.846 2.228 -0.269 1.00 0.00 C ATOM 1523 O ASP A 98 -12.628 2.887 -1.285 1.00 0.00 O ATOM 1524 CB ASP A 98 -14.773 0.656 -0.545 1.00 0.00 C ATOM 1525 CG ASP A 98 -15.238 1.246 -1.862 1.00 0.00 C ATOM 1526 OD1 ASP A 98 -14.384 1.489 -2.741 1.00 0.00 O ATOM 1527 OD2 ASP A 98 -16.458 1.467 -2.016 1.00 0.00 O ATOM 0 H ASP A 98 -13.581 -0.134 1.504 1.00 0.00 H new ATOM 0 HA ASP A 98 -12.764 0.320 -1.223 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.068 -0.392 -0.495 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.275 1.167 0.276 1.00 0.00 H new ATOM 1532 N ASN A 99 -12.735 2.726 0.956 1.00 0.00 N ATOM 1533 CA ASN A 99 -12.346 4.110 1.185 1.00 0.00 C ATOM 1534 C ASN A 99 -10.857 4.300 0.923 1.00 0.00 C ATOM 1535 O ASN A 99 -10.420 5.368 0.493 1.00 0.00 O ATOM 1536 CB ASN A 99 -12.685 4.533 2.615 1.00 0.00 C ATOM 1537 CG ASN A 99 -14.116 5.018 2.748 1.00 0.00 C ATOM 1538 OD1 ASN A 99 -14.369 6.110 3.259 1.00 0.00 O ATOM 1539 ND2 ASN A 99 -15.062 4.206 2.290 1.00 0.00 N ATOM 0 H ASN A 99 -12.909 2.191 1.807 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.905 4.739 0.492 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.525 3.691 3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.005 5.325 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -16.043 4.478 2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -14.808 3.310 1.874 1.00 0.00 H new ATOM 1546 N ILE A 100 -10.089 3.254 1.185 1.00 0.00 N ATOM 1547 CA ILE A 100 -8.647 3.286 0.979 1.00 0.00 C ATOM 1548 C ILE A 100 -8.300 2.967 -0.473 1.00 0.00 C ATOM 1549 O ILE A 100 -7.451 3.620 -1.078 1.00 0.00 O ATOM 1550 CB ILE A 100 -7.926 2.288 1.908 1.00 0.00 C ATOM 1551 CG1 ILE A 100 -8.212 2.626 3.373 1.00 0.00 C ATOM 1552 CG2 ILE A 100 -6.427 2.292 1.641 1.00 0.00 C ATOM 1553 CD1 ILE A 100 -7.629 3.951 3.816 1.00 0.00 C ATOM 0 H ILE A 100 -10.442 2.366 1.543 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.308 4.294 1.217 1.00 0.00 H new ATOM 0 HB ILE A 100 -8.306 1.287 1.702 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -9.291 2.643 3.529 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -7.811 1.833 4.005 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.937 1.581 2.307 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -6.241 2.007 0.606 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.028 3.291 1.820 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -7.872 4.123 4.865 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -6.546 3.931 3.693 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -8.049 4.754 3.210 1.00 0.00 H new ATOM 1565 N LYS A 101 -8.963 1.958 -1.025 1.00 0.00 N ATOM 1566 CA LYS A 101 -8.727 1.555 -2.406 1.00 0.00 C ATOM 1567 C LYS A 101 -9.045 2.696 -3.365 1.00 0.00 C ATOM 1568 O LYS A 101 -8.427 2.825 -4.422 1.00 0.00 O ATOM 1569 CB LYS A 101 -9.575 0.330 -2.754 1.00 0.00 C ATOM 1570 CG LYS A 101 -9.366 -0.168 -4.175 1.00 0.00 C ATOM 1571 CD LYS A 101 -10.191 -1.414 -4.454 1.00 0.00 C ATOM 1572 CE LYS A 101 -11.660 -1.079 -4.648 1.00 0.00 C ATOM 1573 NZ LYS A 101 -11.871 -0.138 -5.783 1.00 0.00 N ATOM 0 H LYS A 101 -9.668 1.404 -0.538 1.00 0.00 H new ATOM 0 HA LYS A 101 -7.673 1.299 -2.509 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -9.340 -0.475 -2.057 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -10.628 0.575 -2.614 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -9.639 0.616 -4.881 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -8.310 -0.386 -4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -9.810 -1.912 -5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -10.083 -2.115 -3.627 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -12.221 -1.996 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -12.056 -0.638 -3.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -12.846 -0.231 -6.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -11.711 0.837 -5.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -11.204 -0.363 -6.549 1.00 0.00 H new ATOM 1587 N MET A 102 -10.016 3.522 -2.988 1.00 0.00 N ATOM 1588 CA MET A 102 -10.422 4.653 -3.815 1.00 0.00 C ATOM 1589 C MET A 102 -9.469 5.827 -3.649 1.00 0.00 C ATOM 1590 O MET A 102 -9.042 6.438 -4.628 1.00 0.00 O ATOM 1591 CB MET A 102 -11.849 5.078 -3.463 1.00 0.00 C ATOM 1592 CG MET A 102 -12.359 6.252 -4.284 1.00 0.00 C ATOM 1593 SD MET A 102 -13.016 5.746 -5.886 1.00 0.00 S ATOM 1594 CE MET A 102 -14.733 5.449 -5.468 1.00 0.00 C ATOM 0 H MET A 102 -10.536 3.429 -2.115 1.00 0.00 H new ATOM 0 HA MET A 102 -10.390 4.337 -4.858 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.517 4.229 -3.606 1.00 0.00 H new ATOM 0 HB3 MET A 102 -11.890 5.341 -2.406 1.00 0.00 H new ATOM 0 HG2 MET A 102 -13.137 6.771 -3.724 1.00 0.00 H new ATOM 0 HG3 MET A 102 -11.547 6.963 -4.437 1.00 0.00 H new ATOM 0 HE1 MET A 102 -15.274 5.128 -6.358 1.00 0.00 H new ATOM 0 HE2 MET A 102 -14.793 4.671 -4.707 1.00 0.00 H new ATOM 0 HE3 MET A 102 -15.178 6.367 -5.084 1.00 0.00 H new ATOM 1604 N THR A 103 -9.145 6.133 -2.407 1.00 0.00 N ATOM 1605 CA THR A 103 -8.242 7.236 -2.105 1.00 0.00 C ATOM 1606 C THR A 103 -6.855 6.965 -2.680 1.00 0.00 C ATOM 1607 O THR A 103 -6.215 7.858 -3.232 1.00 0.00 O ATOM 1608 CB THR A 103 -8.165 7.472 -0.591 1.00 0.00 C ATOM 1609 OG1 THR A 103 -7.803 8.812 -0.312 1.00 0.00 O ATOM 1610 CG2 THR A 103 -7.173 6.573 0.120 1.00 0.00 C ATOM 0 H THR A 103 -9.492 5.635 -1.587 1.00 0.00 H new ATOM 0 HA THR A 103 -8.635 8.140 -2.571 1.00 0.00 H new ATOM 0 HB THR A 103 -9.163 7.240 -0.219 1.00 0.00 H new ATOM 0 HG1 THR A 103 -8.612 9.354 -0.205 1.00 0.00 H new ATOM 0 HG21 THR A 103 -7.176 6.800 1.186 1.00 0.00 H new ATOM 0 HG22 THR A 103 -7.454 5.531 -0.030 1.00 0.00 H new ATOM 0 HG23 THR A 103 -6.175 6.741 -0.284 1.00 0.00 H new ATOM 1618 N LEU A 104 -6.404 5.722 -2.552 1.00 0.00 N ATOM 1619 CA LEU A 104 -5.099 5.330 -3.066 1.00 0.00 C ATOM 1620 C LEU A 104 -5.080 5.406 -4.587 1.00 0.00 C ATOM 1621 O LEU A 104 -4.053 5.716 -5.190 1.00 0.00 O ATOM 1622 CB LEU A 104 -4.745 3.914 -2.607 1.00 0.00 C ATOM 1623 CG LEU A 104 -4.402 3.781 -1.123 1.00 0.00 C ATOM 1624 CD1 LEU A 104 -4.337 2.315 -0.721 1.00 0.00 C ATOM 1625 CD2 LEU A 104 -3.085 4.478 -0.816 1.00 0.00 C ATOM 0 H LEU A 104 -6.923 4.970 -2.097 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.355 6.022 -2.672 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -5.584 3.256 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.897 3.560 -3.193 1.00 0.00 H new ATOM 0 HG LEU A 104 -5.189 4.262 -0.542 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -4.092 2.239 0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -5.303 1.844 -0.905 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -3.570 1.810 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.857 4.373 0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -2.288 4.025 -1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.166 5.536 -1.067 1.00 0.00 H new ATOM 1637 N GLN A 105 -6.225 5.126 -5.204 1.00 0.00 N ATOM 1638 CA GLN A 105 -6.334 5.172 -6.656 1.00 0.00 C ATOM 1639 C GLN A 105 -6.201 6.600 -7.159 1.00 0.00 C ATOM 1640 O GLN A 105 -5.685 6.842 -8.250 1.00 0.00 O ATOM 1641 CB GLN A 105 -7.662 4.570 -7.115 1.00 0.00 C ATOM 1642 CG GLN A 105 -7.555 3.113 -7.535 1.00 0.00 C ATOM 1643 CD GLN A 105 -8.907 2.466 -7.748 1.00 0.00 C ATOM 1644 OE1 GLN A 105 -9.163 1.383 -7.023 1.00 0.00 O flip ATOM 1645 NE2 GLN A 105 -9.714 2.933 -8.552 1.00 0.00 N flip ATOM 0 H GLN A 105 -7.086 4.866 -4.722 1.00 0.00 H new ATOM 0 HA GLN A 105 -5.521 4.580 -7.077 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -8.389 4.654 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -8.046 5.154 -7.951 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -6.976 3.046 -8.456 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -7.007 2.559 -6.773 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -9.475 3.767 -9.088 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -10.621 2.486 -8.682 1.00 0.00 H new ATOM 1654 N GLN A 106 -6.662 7.545 -6.351 1.00 0.00 N ATOM 1655 CA GLN A 106 -6.587 8.953 -6.709 1.00 0.00 C ATOM 1656 C GLN A 106 -5.133 9.395 -6.797 1.00 0.00 C ATOM 1657 O GLN A 106 -4.750 10.120 -7.715 1.00 0.00 O ATOM 1658 CB GLN A 106 -7.339 9.809 -5.689 1.00 0.00 C ATOM 1659 CG GLN A 106 -8.839 9.560 -5.674 1.00 0.00 C ATOM 1660 CD GLN A 106 -9.493 9.858 -7.010 1.00 0.00 C ATOM 1661 OE1 GLN A 106 -9.231 10.890 -7.626 1.00 0.00 O ATOM 1662 NE2 GLN A 106 -10.351 8.949 -7.463 1.00 0.00 N ATOM 0 H GLN A 106 -7.091 7.361 -5.444 1.00 0.00 H new ATOM 0 HA GLN A 106 -7.056 9.087 -7.684 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -6.937 9.613 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -7.156 10.862 -5.905 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -9.028 8.521 -5.405 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -9.299 10.178 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN A 106 -10.538 8.107 -6.918 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -10.823 9.093 -8.356 1.00 0.00 H new ATOM 1671 N ILE A 107 -4.322 8.935 -5.849 1.00 0.00 N ATOM 1672 CA ILE A 107 -2.905 9.269 -5.840 1.00 0.00 C ATOM 1673 C ILE A 107 -2.269 8.850 -7.159 1.00 0.00 C ATOM 1674 O ILE A 107 -1.527 9.611 -7.779 1.00 0.00 O ATOM 1675 CB ILE A 107 -2.172 8.575 -4.674 1.00 0.00 C ATOM 1676 CG1 ILE A 107 -2.771 9.010 -3.336 1.00 0.00 C ATOM 1677 CG2 ILE A 107 -0.682 8.884 -4.723 1.00 0.00 C ATOM 1678 CD1 ILE A 107 -2.563 8.004 -2.225 1.00 0.00 C ATOM 0 H ILE A 107 -4.621 8.333 -5.082 1.00 0.00 H new ATOM 0 HA ILE A 107 -2.814 10.347 -5.709 1.00 0.00 H new ATOM 0 HB ILE A 107 -2.300 7.497 -4.774 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -2.328 9.961 -3.041 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -3.840 9.182 -3.464 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -0.180 8.387 -3.893 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -0.267 8.526 -5.665 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -0.531 9.961 -4.646 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -3.014 8.379 -1.306 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -3.030 7.058 -2.499 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -1.495 7.850 -2.069 1.00 0.00 H new ATOM 1690 N ILE A 108 -2.592 7.635 -7.588 1.00 0.00 N ATOM 1691 CA ILE A 108 -2.083 7.098 -8.846 1.00 0.00 C ATOM 1692 C ILE A 108 -2.325 8.079 -9.973 1.00 0.00 C ATOM 1693 O ILE A 108 -1.417 8.451 -10.716 1.00 0.00 O ATOM 1694 CB ILE A 108 -2.778 5.773 -9.216 1.00 0.00 C ATOM 1695 CG1 ILE A 108 -2.942 4.871 -7.993 1.00 0.00 C ATOM 1696 CG2 ILE A 108 -2.007 5.065 -10.313 1.00 0.00 C ATOM 1697 CD1 ILE A 108 -1.689 4.728 -7.157 1.00 0.00 C ATOM 0 H ILE A 108 -3.208 7.000 -7.080 1.00 0.00 H new ATOM 0 HA ILE A 108 -1.016 6.924 -8.710 1.00 0.00 H new ATOM 0 HB ILE A 108 -3.776 6.004 -9.587 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -3.740 5.269 -7.366 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -3.259 3.882 -8.324 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -2.508 4.131 -10.565 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -1.962 5.703 -11.196 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -0.995 4.852 -9.968 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -1.890 4.073 -6.309 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -0.892 4.300 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -1.381 5.708 -6.793 1.00 0.00 H new ATOM 1709 N SER A 109 -3.574 8.482 -10.078 1.00 0.00 N ATOM 1710 CA SER A 109 -3.999 9.425 -11.107 1.00 0.00 C ATOM 1711 C SER A 109 -3.221 10.729 -11.007 1.00 0.00 C ATOM 1712 O SER A 109 -2.982 11.402 -12.011 1.00 0.00 O ATOM 1713 CB SER A 109 -5.500 9.699 -10.989 1.00 0.00 C ATOM 1714 OG SER A 109 -5.961 10.490 -12.071 1.00 0.00 O ATOM 0 H SER A 109 -4.324 8.171 -9.460 1.00 0.00 H new ATOM 0 HA SER A 109 -3.795 8.978 -12.080 1.00 0.00 H new ATOM 0 HB2 SER A 109 -6.044 8.755 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 109 -5.707 10.209 -10.048 1.00 0.00 H new ATOM 0 HG SER A 109 -6.923 10.650 -11.973 1.00 0.00 H new ATOM 1720 N ARG A 110 -2.830 11.080 -9.792 1.00 0.00 N ATOM 1721 CA ARG A 110 -2.079 12.303 -9.555 1.00 0.00 C ATOM 1722 C ARG A 110 -0.642 12.159 -10.029 1.00 0.00 C ATOM 1723 O ARG A 110 -0.029 13.120 -10.495 1.00 0.00 O ATOM 1724 CB ARG A 110 -2.110 12.674 -8.070 1.00 0.00 C ATOM 1725 CG ARG A 110 -3.482 13.107 -7.579 1.00 0.00 C ATOM 1726 CD ARG A 110 -3.439 13.548 -6.125 1.00 0.00 C ATOM 1727 NE ARG A 110 -4.776 13.772 -5.581 1.00 0.00 N ATOM 1728 CZ ARG A 110 -5.499 14.865 -5.817 1.00 0.00 C ATOM 1729 NH1 ARG A 110 -5.018 15.833 -6.584 1.00 0.00 N ATOM 1730 NH2 ARG A 110 -6.706 14.987 -5.282 1.00 0.00 N ATOM 0 H ARG A 110 -3.021 10.533 -8.952 1.00 0.00 H new ATOM 0 HA ARG A 110 -2.551 13.103 -10.126 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -1.777 11.818 -7.483 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.398 13.480 -7.891 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -3.850 13.925 -8.198 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.186 12.282 -7.690 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.928 12.790 -5.531 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -2.855 14.465 -6.041 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.179 13.049 -4.985 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.090 15.743 -6.997 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.576 16.668 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -7.079 14.244 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -7.261 15.824 -5.462 1.00 0.00 H new ATOM 1744 N TYR A 111 -0.113 10.951 -9.915 1.00 0.00 N ATOM 1745 CA TYR A 111 1.254 10.676 -10.340 1.00 0.00 C ATOM 1746 C TYR A 111 1.339 10.615 -11.859 1.00 0.00 C ATOM 1747 O TYR A 111 2.374 10.925 -12.449 1.00 0.00 O ATOM 1748 CB TYR A 111 1.755 9.367 -9.727 1.00 0.00 C ATOM 1749 CG TYR A 111 2.414 9.546 -8.379 1.00 0.00 C ATOM 1750 CD1 TYR A 111 1.663 9.874 -7.257 1.00 0.00 C ATOM 1751 CD2 TYR A 111 3.786 9.392 -8.227 1.00 0.00 C ATOM 1752 CE1 TYR A 111 2.262 10.043 -6.023 1.00 0.00 C ATOM 1753 CE2 TYR A 111 4.391 9.558 -6.997 1.00 0.00 C ATOM 1754 CZ TYR A 111 3.624 9.884 -5.898 1.00 0.00 C ATOM 1755 OH TYR A 111 4.222 10.051 -4.670 1.00 0.00 O ATOM 0 H TYR A 111 -0.607 10.145 -9.532 1.00 0.00 H new ATOM 0 HA TYR A 111 1.891 11.488 -9.989 1.00 0.00 H new ATOM 0 HB2 TYR A 111 0.916 8.679 -9.624 1.00 0.00 H new ATOM 0 HB3 TYR A 111 2.466 8.903 -10.411 1.00 0.00 H new ATOM 0 HD1 TYR A 111 0.594 9.999 -7.351 1.00 0.00 H new ATOM 0 HD2 TYR A 111 4.390 9.138 -9.086 1.00 0.00 H new ATOM 0 HE1 TYR A 111 1.664 10.299 -5.161 1.00 0.00 H new ATOM 0 HE2 TYR A 111 5.459 9.433 -6.896 1.00 0.00 H new ATOM 0 HH TYR A 111 3.968 9.312 -4.079 1.00 0.00 H new ATOM 1765 N LYS A 112 0.237 10.222 -12.484 1.00 0.00 N ATOM 1766 CA LYS A 112 0.170 10.126 -13.932 1.00 0.00 C ATOM 1767 C LYS A 112 0.079 11.513 -14.560 1.00 0.00 C ATOM 1768 O LYS A 112 0.677 11.775 -15.603 1.00 0.00 O ATOM 1769 CB LYS A 112 -1.035 9.284 -14.355 1.00 0.00 C ATOM 1770 CG LYS A 112 -0.920 7.819 -13.967 1.00 0.00 C ATOM 1771 CD LYS A 112 -2.118 7.020 -14.453 1.00 0.00 C ATOM 1772 CE LYS A 112 -3.084 6.715 -13.319 1.00 0.00 C ATOM 1773 NZ LYS A 112 -4.491 7.029 -13.688 1.00 0.00 N ATOM 0 H LYS A 112 -0.626 9.964 -12.006 1.00 0.00 H new ATOM 0 HA LYS A 112 1.082 9.642 -14.283 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -1.935 9.701 -13.904 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.157 9.357 -15.436 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -0.006 7.400 -14.389 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -0.839 7.733 -12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -2.636 7.578 -15.233 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -1.776 6.087 -14.902 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -3.006 5.662 -13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -2.803 7.291 -12.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -5.117 6.807 -12.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -4.572 8.039 -13.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.769 6.460 -14.513 1.00 0.00 H new ATOM 1787 N ASP A 113 -0.676 12.398 -13.915 1.00 0.00 N ATOM 1788 CA ASP A 113 -0.848 13.761 -14.408 1.00 0.00 C ATOM 1789 C ASP A 113 0.495 14.474 -14.514 1.00 0.00 C ATOM 1790 O ASP A 113 0.726 15.248 -15.444 1.00 0.00 O ATOM 1791 CB ASP A 113 -1.784 14.544 -13.486 1.00 0.00 C ATOM 1792 CG ASP A 113 -3.203 14.008 -13.511 1.00 0.00 C ATOM 1793 OD1 ASP A 113 -3.536 13.250 -14.445 1.00 0.00 O ATOM 1794 OD2 ASP A 113 -3.982 14.351 -12.597 1.00 0.00 O ATOM 0 H ASP A 113 -1.178 12.196 -13.050 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.290 13.709 -15.403 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.402 14.504 -12.466 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.789 15.593 -13.784 1.00 0.00 H new ATOM 1799 N ALA A 114 1.377 14.209 -13.557 1.00 0.00 N ATOM 1800 CA ALA A 114 2.699 14.828 -13.543 1.00 0.00 C ATOM 1801 C ALA A 114 3.491 14.456 -14.792 1.00 0.00 C ATOM 1802 O ALA A 114 4.296 15.246 -15.286 1.00 0.00 O ATOM 1803 CB ALA A 114 3.460 14.418 -12.292 1.00 0.00 C ATOM 0 H ALA A 114 1.202 13.571 -12.781 1.00 0.00 H new ATOM 0 HA ALA A 114 2.567 15.910 -13.536 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.444 14.887 -12.295 1.00 0.00 H new ATOM 0 HB2 ALA A 114 2.908 14.739 -11.409 1.00 0.00 H new ATOM 0 HB3 ALA A 114 3.575 13.334 -12.275 1.00 0.00 H new ATOM 1809 N ASP A 115 3.257 13.250 -15.298 1.00 0.00 N ATOM 1810 CA ASP A 115 3.950 12.773 -16.490 1.00 0.00 C ATOM 1811 C ASP A 115 2.975 12.111 -17.457 1.00 0.00 C ATOM 1812 O ASP A 115 2.484 11.007 -17.139 1.00 0.00 O ATOM 1813 CB ASP A 115 5.053 11.786 -16.104 1.00 0.00 C ATOM 1814 CG ASP A 115 6.163 12.441 -15.305 1.00 0.00 C ATOM 1815 OD1 ASP A 115 6.248 13.688 -15.316 1.00 0.00 O ATOM 1816 OD2 ASP A 115 6.948 11.708 -14.668 1.00 0.00 O ATOM 1817 OXT ASP A 115 2.709 12.703 -18.525 1.00 0.00 O ATOM 0 H ASP A 115 2.593 12.585 -14.902 1.00 0.00 H new ATOM 0 HA ASP A 115 4.399 13.633 -16.987 1.00 0.00 H new ATOM 0 HB2 ASP A 115 4.621 10.973 -15.521 1.00 0.00 H new ATOM 0 HB3 ASP A 115 5.472 11.343 -17.007 1.00 0.00 H new TER 1822 ASP A 115