USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 567 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 59 HIS : no HE2:sc= -1.31 K(o=-2.3,f=-2.8) USER MOD Set 1.2: A 63 GLN : amide:sc= -0.999 K(o=-2.3,f=-3.3!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 25:sc= 0.58 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.222 K(o=-0.22,f=-1.2!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -13.6! C(o=-14!,f=-13!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ -160:sc= -0.0169 (180deg=-0.202) USER MOD Single : A 29 SER OG : rot -140:sc= -0.0569 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 133:sc= -4.04! (180deg=-5.76!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0.975 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 46:sc= 0.391 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -6.38! C(o=-6.4!,f=-3.7!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-1.4) USER MOD Single : A 55 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -0.0548 K(o=-0.055,f=-0.95) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= -0.249 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.470 -1.661 30.074 1.00 0.00 N ATOM 2 CA GLY A 1 -9.803 -2.039 28.713 1.00 0.00 C ATOM 3 C GLY A 1 -9.540 -0.923 27.721 1.00 0.00 C ATOM 4 O GLY A 1 -8.844 -1.119 26.725 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.667 -2.457 30.714 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.461 -1.415 30.129 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.043 -0.840 30.356 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.222 -2.917 28.430 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.854 -2.324 28.665 1.00 0.00 H new ATOM 8 N SER A 2 -10.101 0.251 27.992 1.00 0.00 N ATOM 9 CA SER A 2 -9.929 1.402 27.112 1.00 0.00 C ATOM 10 C SER A 2 -8.468 1.555 26.698 1.00 0.00 C ATOM 11 O SER A 2 -7.558 1.232 27.461 1.00 0.00 O ATOM 12 CB SER A 2 -10.410 2.677 27.806 1.00 0.00 C ATOM 13 OG SER A 2 -9.780 2.843 29.064 1.00 0.00 O ATOM 0 H SER A 2 -10.678 0.431 28.813 1.00 0.00 H new ATOM 0 HA SER A 2 -10.527 1.237 26.216 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.200 3.540 27.174 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.491 2.636 27.940 1.00 0.00 H new ATOM 0 HG SER A 2 -10.104 3.666 29.486 1.00 0.00 H new ATOM 19 N SER A 3 -8.253 2.050 25.483 1.00 0.00 N ATOM 20 CA SER A 3 -6.904 2.242 24.964 1.00 0.00 C ATOM 21 C SER A 3 -6.580 3.728 24.833 1.00 0.00 C ATOM 22 O SER A 3 -5.994 4.162 23.842 1.00 0.00 O ATOM 23 CB SER A 3 -6.754 1.554 23.606 1.00 0.00 C ATOM 24 OG SER A 3 -7.607 2.142 22.639 1.00 0.00 O ATOM 0 H SER A 3 -8.996 2.325 24.840 1.00 0.00 H new ATOM 0 HA SER A 3 -6.203 1.795 25.668 1.00 0.00 H new ATOM 0 HB2 SER A 3 -5.719 1.623 23.272 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.987 0.494 23.704 1.00 0.00 H new ATOM 0 HG SER A 3 -7.491 1.686 21.780 1.00 0.00 H new ATOM 30 N GLY A 4 -6.965 4.502 25.842 1.00 0.00 N ATOM 31 CA GLY A 4 -6.708 5.931 25.822 1.00 0.00 C ATOM 32 C GLY A 4 -7.957 6.741 25.536 1.00 0.00 C ATOM 33 O GLY A 4 -8.971 6.198 25.098 1.00 0.00 O ATOM 0 H GLY A 4 -7.451 4.166 26.674 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.293 6.236 26.783 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.955 6.151 25.065 1.00 0.00 H new ATOM 37 N SER A 5 -7.884 8.044 25.786 1.00 0.00 N ATOM 38 CA SER A 5 -9.020 8.930 25.558 1.00 0.00 C ATOM 39 C SER A 5 -8.554 10.368 25.346 1.00 0.00 C ATOM 40 O SER A 5 -7.513 10.777 25.862 1.00 0.00 O ATOM 41 CB SER A 5 -9.989 8.866 26.740 1.00 0.00 C ATOM 42 OG SER A 5 -10.870 7.762 26.617 1.00 0.00 O ATOM 0 H SER A 5 -7.051 8.510 26.146 1.00 0.00 H new ATOM 0 HA SER A 5 -9.534 8.596 24.657 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.428 8.786 27.671 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.564 9.790 26.794 1.00 0.00 H new ATOM 0 HG SER A 5 -10.451 7.069 26.065 1.00 0.00 H new ATOM 48 N SER A 6 -9.331 11.129 24.584 1.00 0.00 N ATOM 49 CA SER A 6 -8.997 12.520 24.300 1.00 0.00 C ATOM 50 C SER A 6 -7.513 12.667 23.979 1.00 0.00 C ATOM 51 O SER A 6 -6.839 13.554 24.502 1.00 0.00 O ATOM 52 CB SER A 6 -9.365 13.408 25.490 1.00 0.00 C ATOM 53 OG SER A 6 -10.770 13.482 25.656 1.00 0.00 O ATOM 0 H SER A 6 -10.197 10.806 24.152 1.00 0.00 H new ATOM 0 HA SER A 6 -9.572 12.836 23.430 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.909 13.013 26.398 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.960 14.409 25.340 1.00 0.00 H new ATOM 0 HG SER A 6 -10.979 14.054 26.424 1.00 0.00 H new ATOM 59 N GLY A 7 -7.010 11.791 23.115 1.00 0.00 N ATOM 60 CA GLY A 7 -5.609 11.840 22.740 1.00 0.00 C ATOM 61 C GLY A 7 -5.328 12.892 21.685 1.00 0.00 C ATOM 62 O GLY A 7 -4.753 13.939 21.980 1.00 0.00 O ATOM 0 H GLY A 7 -7.548 11.048 22.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.006 12.047 23.624 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.302 10.863 22.366 1.00 0.00 H new ATOM 66 N GLY A 8 -5.733 12.613 20.450 1.00 0.00 N ATOM 67 CA GLY A 8 -5.511 13.552 19.366 1.00 0.00 C ATOM 68 C GLY A 8 -5.110 12.865 18.076 1.00 0.00 C ATOM 69 O GLY A 8 -5.147 11.638 17.982 1.00 0.00 O ATOM 0 H GLY A 8 -6.211 11.753 20.181 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.420 14.130 19.199 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.733 14.258 19.655 1.00 0.00 H new ATOM 73 N ILE A 9 -4.727 13.656 17.080 1.00 0.00 N ATOM 74 CA ILE A 9 -4.318 13.116 15.790 1.00 0.00 C ATOM 75 C ILE A 9 -3.122 13.878 15.229 1.00 0.00 C ATOM 76 O ILE A 9 -2.664 14.858 15.817 1.00 0.00 O ATOM 77 CB ILE A 9 -5.469 13.167 14.768 1.00 0.00 C ATOM 78 CG1 ILE A 9 -5.674 14.598 14.268 1.00 0.00 C ATOM 79 CG2 ILE A 9 -6.750 12.627 15.386 1.00 0.00 C ATOM 80 CD1 ILE A 9 -5.789 15.616 15.381 1.00 0.00 C ATOM 0 H ILE A 9 -4.691 14.674 17.142 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.037 12.076 15.958 1.00 0.00 H new ATOM 0 HB ILE A 9 -5.207 12.539 13.916 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -4.840 14.871 13.621 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -6.576 14.635 13.658 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.554 12.670 14.652 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.597 11.594 15.697 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.018 13.231 16.253 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.933 16.608 14.953 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.640 15.367 16.015 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.877 15.607 15.978 1.00 0.00 H new ATOM 92 N LYS A 10 -2.620 13.422 14.086 1.00 0.00 N ATOM 93 CA LYS A 10 -1.478 14.062 13.442 1.00 0.00 C ATOM 94 C LYS A 10 -1.825 14.489 12.020 1.00 0.00 C ATOM 95 O LYS A 10 -2.830 14.052 11.458 1.00 0.00 O ATOM 96 CB LYS A 10 -0.279 13.111 13.423 1.00 0.00 C ATOM 97 CG LYS A 10 -0.573 11.775 12.762 1.00 0.00 C ATOM 98 CD LYS A 10 -1.081 10.756 13.767 1.00 0.00 C ATOM 99 CE LYS A 10 -1.154 9.363 13.161 1.00 0.00 C ATOM 100 NZ LYS A 10 0.187 8.719 13.087 1.00 0.00 N ATOM 0 H LYS A 10 -2.986 12.612 13.586 1.00 0.00 H new ATOM 0 HA LYS A 10 -1.219 14.952 14.016 1.00 0.00 H new ATOM 0 HB2 LYS A 10 0.547 13.592 12.900 1.00 0.00 H new ATOM 0 HB3 LYS A 10 0.051 12.936 14.447 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -1.315 11.913 11.975 1.00 0.00 H new ATOM 0 HG3 LYS A 10 0.331 11.397 12.285 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.423 10.742 14.636 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.069 11.053 14.120 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.823 8.742 13.757 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.583 9.424 12.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 0.094 7.771 12.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 0.818 9.298 12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 0.586 8.637 14.044 1.00 0.00 H new ATOM 114 N ASP A 11 -0.988 15.344 11.443 1.00 0.00 N ATOM 115 CA ASP A 11 -1.205 15.828 10.085 1.00 0.00 C ATOM 116 C ASP A 11 -1.265 14.667 9.097 1.00 0.00 C ATOM 117 O ASP A 11 -0.542 13.680 9.239 1.00 0.00 O ATOM 118 CB ASP A 11 -0.093 16.799 9.683 1.00 0.00 C ATOM 119 CG ASP A 11 1.207 16.089 9.361 1.00 0.00 C ATOM 120 OD1 ASP A 11 1.983 15.817 10.300 1.00 0.00 O ATOM 121 OD2 ASP A 11 1.449 15.805 8.168 1.00 0.00 O ATOM 0 H ASP A 11 -0.153 15.716 11.895 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.161 16.352 10.061 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -0.414 17.375 8.815 1.00 0.00 H new ATOM 0 HB3 ASP A 11 0.075 17.509 10.492 1.00 0.00 H new ATOM 126 N SER A 12 -2.132 14.791 8.097 1.00 0.00 N ATOM 127 CA SER A 12 -2.290 13.750 7.089 1.00 0.00 C ATOM 128 C SER A 12 -1.036 13.632 6.228 1.00 0.00 C ATOM 129 O SER A 12 -0.267 14.582 6.072 1.00 0.00 O ATOM 130 CB SER A 12 -3.503 14.047 6.205 1.00 0.00 C ATOM 131 OG SER A 12 -4.696 13.567 6.799 1.00 0.00 O ATOM 0 H SER A 12 -2.736 15.602 7.964 1.00 0.00 H new ATOM 0 HA SER A 12 -2.447 12.802 7.603 1.00 0.00 H new ATOM 0 HB2 SER A 12 -3.582 15.121 6.040 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.367 13.583 5.228 1.00 0.00 H new ATOM 0 HG SER A 12 -5.457 13.771 6.216 1.00 0.00 H new ATOM 137 N PRO A 13 -0.822 12.439 5.655 1.00 0.00 N ATOM 138 CA PRO A 13 0.337 12.167 4.800 1.00 0.00 C ATOM 139 C PRO A 13 0.259 12.903 3.466 1.00 0.00 C ATOM 140 O PRO A 13 -0.812 13.348 3.053 1.00 0.00 O ATOM 141 CB PRO A 13 0.269 10.654 4.580 1.00 0.00 C ATOM 142 CG PRO A 13 -1.169 10.309 4.760 1.00 0.00 C ATOM 143 CD PRO A 13 -1.696 11.262 5.797 1.00 0.00 C ATOM 0 HA PRO A 13 1.268 12.504 5.257 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.620 10.383 3.584 1.00 0.00 H new ATOM 0 HB3 PRO A 13 0.896 10.121 5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.715 10.411 3.822 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.285 9.275 5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.741 11.514 5.617 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.638 10.837 6.799 1.00 0.00 H new ATOM 151 N VAL A 14 1.400 13.027 2.796 1.00 0.00 N ATOM 152 CA VAL A 14 1.461 13.708 1.508 1.00 0.00 C ATOM 153 C VAL A 14 0.591 13.004 0.473 1.00 0.00 C ATOM 154 O VAL A 14 0.093 11.904 0.711 1.00 0.00 O ATOM 155 CB VAL A 14 2.906 13.786 0.982 1.00 0.00 C ATOM 156 CG1 VAL A 14 3.795 14.527 1.968 1.00 0.00 C ATOM 157 CG2 VAL A 14 3.448 12.391 0.707 1.00 0.00 C ATOM 0 H VAL A 14 2.295 12.665 3.124 1.00 0.00 H new ATOM 0 HA VAL A 14 1.086 14.719 1.666 1.00 0.00 H new ATOM 0 HB VAL A 14 2.903 14.342 0.044 1.00 0.00 H new ATOM 0 HG11 VAL A 14 4.812 14.572 1.578 1.00 0.00 H new ATOM 0 HG12 VAL A 14 3.416 15.539 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.795 14.002 2.923 1.00 0.00 H new ATOM 0 HG21 VAL A 14 4.470 12.464 0.336 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.437 11.808 1.628 1.00 0.00 H new ATOM 0 HG23 VAL A 14 2.825 11.899 -0.040 1.00 0.00 H new ATOM 167 N ASN A 15 0.414 13.645 -0.677 1.00 0.00 N ATOM 168 CA ASN A 15 -0.396 13.079 -1.751 1.00 0.00 C ATOM 169 C ASN A 15 0.056 11.660 -2.084 1.00 0.00 C ATOM 170 O ASN A 15 -0.765 10.764 -2.278 1.00 0.00 O ATOM 171 CB ASN A 15 -0.312 13.959 -2.999 1.00 0.00 C ATOM 172 CG ASN A 15 -1.432 13.677 -3.982 1.00 0.00 C ATOM 173 OD1 ASN A 15 -1.776 12.522 -4.233 1.00 0.00 O ATOM 174 ND2 ASN A 15 -2.007 14.734 -4.544 1.00 0.00 N ATOM 0 H ASN A 15 0.820 14.556 -0.890 1.00 0.00 H new ATOM 0 HA ASN A 15 -1.431 13.041 -1.410 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -0.347 15.008 -2.704 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.648 13.798 -3.490 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.766 14.606 -5.213 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -1.690 15.674 -4.306 1.00 0.00 H new ATOM 181 N LYS A 16 1.369 11.463 -2.147 1.00 0.00 N ATOM 182 CA LYS A 16 1.932 10.154 -2.454 1.00 0.00 C ATOM 183 C LYS A 16 2.664 9.580 -1.246 1.00 0.00 C ATOM 184 O LYS A 16 3.786 9.981 -0.938 1.00 0.00 O ATOM 185 CB LYS A 16 2.890 10.255 -3.643 1.00 0.00 C ATOM 186 CG LYS A 16 3.340 8.907 -4.178 1.00 0.00 C ATOM 187 CD LYS A 16 4.402 9.059 -5.254 1.00 0.00 C ATOM 188 CE LYS A 16 3.788 9.425 -6.597 1.00 0.00 C ATOM 189 NZ LYS A 16 4.724 9.163 -7.725 1.00 0.00 N ATOM 0 H LYS A 16 2.063 12.194 -1.989 1.00 0.00 H new ATOM 0 HA LYS A 16 1.111 9.484 -2.712 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.403 10.810 -4.445 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.767 10.829 -3.344 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.733 8.303 -3.360 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.482 8.372 -4.585 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.115 9.828 -4.957 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.960 8.128 -5.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.872 8.853 -6.745 1.00 0.00 H new ATOM 0 HE3 LYS A 16 3.509 10.479 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.268 9.425 -8.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.588 9.728 -7.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.970 8.153 -7.744 1.00 0.00 H new ATOM 203 N VAL A 17 2.022 8.636 -0.565 1.00 0.00 N ATOM 204 CA VAL A 17 2.613 8.004 0.609 1.00 0.00 C ATOM 205 C VAL A 17 4.125 7.880 0.463 1.00 0.00 C ATOM 206 O VAL A 17 4.883 8.529 1.183 1.00 0.00 O ATOM 207 CB VAL A 17 2.015 6.605 0.854 1.00 0.00 C ATOM 208 CG1 VAL A 17 1.711 5.916 -0.467 1.00 0.00 C ATOM 209 CG2 VAL A 17 2.959 5.764 1.699 1.00 0.00 C ATOM 0 H VAL A 17 1.093 8.292 -0.806 1.00 0.00 H new ATOM 0 HA VAL A 17 2.384 8.643 1.462 1.00 0.00 H new ATOM 0 HB VAL A 17 1.079 6.719 1.400 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.289 4.929 -0.274 1.00 0.00 H new ATOM 0 HG12 VAL A 17 0.995 6.513 -1.032 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.631 5.811 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.521 4.779 1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.912 5.656 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.121 6.253 2.660 1.00 0.00 H new ATOM 219 N GLU A 18 4.557 7.042 -0.474 1.00 0.00 N ATOM 220 CA GLU A 18 5.980 6.833 -0.714 1.00 0.00 C ATOM 221 C GLU A 18 6.234 6.428 -2.163 1.00 0.00 C ATOM 222 O GLU A 18 5.330 6.004 -2.883 1.00 0.00 O ATOM 223 CB GLU A 18 6.527 5.760 0.230 1.00 0.00 C ATOM 224 CG GLU A 18 7.083 6.318 1.529 1.00 0.00 C ATOM 225 CD GLU A 18 6.944 5.350 2.688 1.00 0.00 C ATOM 226 OE1 GLU A 18 5.825 4.838 2.903 1.00 0.00 O ATOM 227 OE2 GLU A 18 7.955 5.103 3.379 1.00 0.00 O ATOM 0 H GLU A 18 3.942 6.497 -1.079 1.00 0.00 H new ATOM 0 HA GLU A 18 6.496 7.774 -0.522 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.732 5.051 0.460 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.312 5.204 -0.282 1.00 0.00 H new ATOM 0 HG2 GLU A 18 8.136 6.566 1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.566 7.246 1.772 1.00 0.00 H new ATOM 234 N PRO A 19 7.495 6.562 -2.602 1.00 0.00 N ATOM 235 CA PRO A 19 7.898 6.216 -3.968 1.00 0.00 C ATOM 236 C PRO A 19 7.867 4.712 -4.218 1.00 0.00 C ATOM 237 O PRO A 19 8.247 4.244 -5.291 1.00 0.00 O ATOM 238 CB PRO A 19 9.332 6.743 -4.059 1.00 0.00 C ATOM 239 CG PRO A 19 9.822 6.753 -2.652 1.00 0.00 C ATOM 240 CD PRO A 19 8.623 7.061 -1.798 1.00 0.00 C ATOM 0 HA PRO A 19 7.225 6.642 -4.712 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.950 6.103 -4.689 1.00 0.00 H new ATOM 0 HB3 PRO A 19 9.360 7.742 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 19 10.256 5.790 -2.383 1.00 0.00 H new ATOM 0 HG3 PRO A 19 10.601 7.503 -2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.679 6.561 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 19 8.534 8.129 -1.600 1.00 0.00 H new ATOM 248 N ASN A 20 7.411 3.960 -3.222 1.00 0.00 N ATOM 249 CA ASN A 20 7.331 2.508 -3.334 1.00 0.00 C ATOM 250 C ASN A 20 6.043 2.088 -4.036 1.00 0.00 C ATOM 251 O ASN A 20 5.567 0.965 -3.862 1.00 0.00 O ATOM 252 CB ASN A 20 7.404 1.864 -1.949 1.00 0.00 C ATOM 253 CG ASN A 20 8.831 1.694 -1.465 1.00 0.00 C ATOM 254 OD1 ASN A 20 9.203 0.640 -0.950 1.00 0.00 O ATOM 255 ND2 ASN A 20 9.639 2.736 -1.628 1.00 0.00 N ATOM 0 H ASN A 20 7.091 4.332 -2.328 1.00 0.00 H new ATOM 0 HA ASN A 20 8.177 2.167 -3.930 1.00 0.00 H new ATOM 0 HB2 ASN A 20 6.852 2.477 -1.237 1.00 0.00 H new ATOM 0 HB3 ASN A 20 6.915 0.890 -1.978 1.00 0.00 H new ATOM 0 HD21 ASN A 20 10.610 2.681 -1.321 1.00 0.00 H new ATOM 0 HD22 ASN A 20 9.288 3.591 -2.060 1.00 0.00 H new ATOM 262 N ASP A 21 5.484 2.996 -4.828 1.00 0.00 N ATOM 263 CA ASP A 21 4.252 2.719 -5.558 1.00 0.00 C ATOM 264 C ASP A 21 4.265 1.305 -6.130 1.00 0.00 C ATOM 265 O ASP A 21 3.262 0.591 -6.076 1.00 0.00 O ATOM 266 CB ASP A 21 4.061 3.736 -6.683 1.00 0.00 C ATOM 267 CG ASP A 21 3.060 3.270 -7.722 1.00 0.00 C ATOM 268 OD1 ASP A 21 3.454 2.495 -8.619 1.00 0.00 O ATOM 269 OD2 ASP A 21 1.883 3.679 -7.639 1.00 0.00 O ATOM 0 H ASP A 21 5.864 3.930 -4.981 1.00 0.00 H new ATOM 0 HA ASP A 21 3.419 2.801 -4.860 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.726 4.683 -6.260 1.00 0.00 H new ATOM 0 HB3 ASP A 21 5.020 3.924 -7.166 1.00 0.00 H new ATOM 274 N THR A 22 5.407 0.905 -6.680 1.00 0.00 N ATOM 275 CA THR A 22 5.551 -0.422 -7.265 1.00 0.00 C ATOM 276 C THR A 22 4.730 -1.452 -6.498 1.00 0.00 C ATOM 277 O THR A 22 4.116 -2.339 -7.092 1.00 0.00 O ATOM 278 CB THR A 22 7.024 -0.870 -7.288 1.00 0.00 C ATOM 279 OG1 THR A 22 7.744 -0.136 -8.285 1.00 0.00 O ATOM 280 CG2 THR A 22 7.133 -2.360 -7.570 1.00 0.00 C ATOM 0 H THR A 22 6.247 1.482 -6.732 1.00 0.00 H new ATOM 0 HA THR A 22 5.184 -0.357 -8.289 1.00 0.00 H new ATOM 0 HB THR A 22 7.456 -0.670 -6.308 1.00 0.00 H new ATOM 0 HG1 THR A 22 8.680 -0.426 -8.292 1.00 0.00 H new ATOM 0 HG21 THR A 22 8.183 -2.652 -7.581 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.610 -2.917 -6.793 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.685 -2.581 -8.539 1.00 0.00 H new ATOM 288 N LEU A 23 4.723 -1.330 -5.175 1.00 0.00 N ATOM 289 CA LEU A 23 3.976 -2.251 -4.326 1.00 0.00 C ATOM 290 C LEU A 23 2.481 -2.169 -4.616 1.00 0.00 C ATOM 291 O LEU A 23 1.824 -3.187 -4.829 1.00 0.00 O ATOM 292 CB LEU A 23 4.238 -1.943 -2.851 1.00 0.00 C ATOM 293 CG LEU A 23 5.558 -2.463 -2.281 1.00 0.00 C ATOM 294 CD1 LEU A 23 6.705 -2.167 -3.234 1.00 0.00 C ATOM 295 CD2 LEU A 23 5.827 -1.852 -0.913 1.00 0.00 C ATOM 0 H LEU A 23 5.226 -0.602 -4.667 1.00 0.00 H new ATOM 0 HA LEU A 23 4.315 -3.263 -4.545 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.208 -0.862 -2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.421 -2.361 -2.263 1.00 0.00 H new ATOM 0 HG LEU A 23 5.480 -3.544 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.636 -2.544 -2.811 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.518 -2.654 -4.191 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.785 -1.090 -3.384 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.771 -2.234 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.884 -0.767 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.019 -2.117 -0.231 1.00 0.00 H new ATOM 307 N GLU A 24 1.951 -0.950 -4.624 1.00 0.00 N ATOM 308 CA GLU A 24 0.533 -0.735 -4.890 1.00 0.00 C ATOM 309 C GLU A 24 0.011 -1.747 -5.906 1.00 0.00 C ATOM 310 O GLU A 24 -1.107 -2.248 -5.783 1.00 0.00 O ATOM 311 CB GLU A 24 0.297 0.687 -5.403 1.00 0.00 C ATOM 312 CG GLU A 24 -1.131 0.941 -5.856 1.00 0.00 C ATOM 313 CD GLU A 24 -1.433 2.417 -6.031 1.00 0.00 C ATOM 314 OE1 GLU A 24 -1.497 3.135 -5.012 1.00 0.00 O ATOM 315 OE2 GLU A 24 -1.605 2.853 -7.189 1.00 0.00 O ATOM 0 H GLU A 24 2.482 -0.097 -4.449 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.010 -0.871 -3.955 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.551 1.396 -4.614 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.973 0.881 -6.235 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.307 0.424 -6.799 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -1.821 0.517 -5.126 1.00 0.00 H new ATOM 322 N LYS A 25 0.829 -2.044 -6.911 1.00 0.00 N ATOM 323 CA LYS A 25 0.452 -2.996 -7.949 1.00 0.00 C ATOM 324 C LYS A 25 0.430 -4.419 -7.400 1.00 0.00 C ATOM 325 O LYS A 25 -0.630 -5.036 -7.289 1.00 0.00 O ATOM 326 CB LYS A 25 1.424 -2.908 -9.127 1.00 0.00 C ATOM 327 CG LYS A 25 0.918 -3.591 -10.386 1.00 0.00 C ATOM 328 CD LYS A 25 1.527 -2.980 -11.636 1.00 0.00 C ATOM 329 CE LYS A 25 0.696 -1.814 -12.149 1.00 0.00 C ATOM 330 NZ LYS A 25 -0.594 -2.269 -12.737 1.00 0.00 N ATOM 0 H LYS A 25 1.758 -1.639 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.551 -2.742 -8.293 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.621 -1.859 -9.347 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.374 -3.357 -8.837 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.158 -4.654 -10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.168 -3.511 -10.433 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.539 -2.639 -11.419 1.00 0.00 H new ATOM 0 HD3 LYS A 25 1.606 -3.741 -12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.498 -1.121 -11.331 1.00 0.00 H new ATOM 0 HE3 LYS A 25 1.264 -1.266 -12.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -0.970 -1.529 -13.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.438 -3.139 -13.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.276 -2.457 -11.975 1.00 0.00 H new ATOM 344 N VAL A 26 1.606 -4.934 -7.056 1.00 0.00 N ATOM 345 CA VAL A 26 1.721 -6.283 -6.516 1.00 0.00 C ATOM 346 C VAL A 26 0.638 -6.554 -5.477 1.00 0.00 C ATOM 347 O VAL A 26 0.079 -7.649 -5.419 1.00 0.00 O ATOM 348 CB VAL A 26 3.102 -6.515 -5.873 1.00 0.00 C ATOM 349 CG1 VAL A 26 3.067 -6.169 -4.393 1.00 0.00 C ATOM 350 CG2 VAL A 26 3.552 -7.953 -6.083 1.00 0.00 C ATOM 0 H VAL A 26 2.493 -4.437 -7.142 1.00 0.00 H new ATOM 0 HA VAL A 26 1.598 -6.970 -7.353 1.00 0.00 H new ATOM 0 HB VAL A 26 3.824 -5.858 -6.357 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.051 -6.339 -3.956 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.792 -5.121 -4.271 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.333 -6.798 -3.890 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.529 -8.099 -5.623 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.830 -8.630 -5.626 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.619 -8.161 -7.151 1.00 0.00 H new ATOM 360 N PHE A 27 0.346 -5.548 -4.659 1.00 0.00 N ATOM 361 CA PHE A 27 -0.670 -5.678 -3.621 1.00 0.00 C ATOM 362 C PHE A 27 -2.000 -6.130 -4.216 1.00 0.00 C ATOM 363 O PHE A 27 -2.669 -7.010 -3.674 1.00 0.00 O ATOM 364 CB PHE A 27 -0.853 -4.347 -2.888 1.00 0.00 C ATOM 365 CG PHE A 27 -2.103 -4.287 -2.058 1.00 0.00 C ATOM 366 CD1 PHE A 27 -3.292 -3.831 -2.604 1.00 0.00 C ATOM 367 CD2 PHE A 27 -2.089 -4.686 -0.731 1.00 0.00 C ATOM 368 CE1 PHE A 27 -4.443 -3.774 -1.842 1.00 0.00 C ATOM 369 CE2 PHE A 27 -3.238 -4.631 0.036 1.00 0.00 C ATOM 370 CZ PHE A 27 -4.417 -4.176 -0.521 1.00 0.00 C ATOM 0 H PHE A 27 0.798 -4.634 -4.695 1.00 0.00 H new ATOM 0 HA PHE A 27 -0.334 -6.433 -2.911 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.010 -4.174 -2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -0.872 -3.539 -3.619 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -3.319 -3.517 -3.637 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.170 -5.044 -0.291 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -5.363 -3.415 -2.279 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -3.214 -4.943 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 27 -5.317 -4.135 0.075 1.00 0.00 H new ATOM 380 N VAL A 28 -2.379 -5.521 -5.336 1.00 0.00 N ATOM 381 CA VAL A 28 -3.628 -5.860 -6.006 1.00 0.00 C ATOM 382 C VAL A 28 -3.370 -6.651 -7.283 1.00 0.00 C ATOM 383 O VAL A 28 -4.296 -6.960 -8.033 1.00 0.00 O ATOM 384 CB VAL A 28 -4.440 -4.598 -6.353 1.00 0.00 C ATOM 385 CG1 VAL A 28 -3.743 -3.797 -7.442 1.00 0.00 C ATOM 386 CG2 VAL A 28 -5.852 -4.973 -6.775 1.00 0.00 C ATOM 0 H VAL A 28 -1.838 -4.790 -5.798 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.202 -6.473 -5.312 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.506 -3.973 -5.463 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -4.331 -2.909 -7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.754 -3.497 -7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.643 -4.410 -8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.412 -4.069 -7.017 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.810 -5.619 -7.652 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -6.348 -5.500 -5.960 1.00 0.00 H new ATOM 396 N SER A 29 -2.104 -6.977 -7.525 1.00 0.00 N ATOM 397 CA SER A 29 -1.722 -7.730 -8.714 1.00 0.00 C ATOM 398 C SER A 29 -1.447 -9.190 -8.367 1.00 0.00 C ATOM 399 O SER A 29 -1.948 -10.102 -9.025 1.00 0.00 O ATOM 400 CB SER A 29 -0.485 -7.107 -9.363 1.00 0.00 C ATOM 401 OG SER A 29 -0.850 -6.136 -10.328 1.00 0.00 O ATOM 0 H SER A 29 -1.326 -6.731 -6.913 1.00 0.00 H new ATOM 0 HA SER A 29 -2.552 -7.692 -9.420 1.00 0.00 H new ATOM 0 HB2 SER A 29 0.139 -6.646 -8.597 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.113 -7.886 -9.835 1.00 0.00 H new ATOM 0 HG SER A 29 -0.258 -6.209 -11.106 1.00 0.00 H new ATOM 407 N VAL A 30 -0.646 -9.405 -7.328 1.00 0.00 N ATOM 408 CA VAL A 30 -0.305 -10.753 -6.891 1.00 0.00 C ATOM 409 C VAL A 30 -1.115 -11.156 -5.664 1.00 0.00 C ATOM 410 O VAL A 30 -1.661 -12.258 -5.601 1.00 0.00 O ATOM 411 CB VAL A 30 1.196 -10.874 -6.564 1.00 0.00 C ATOM 412 CG1 VAL A 30 2.019 -10.004 -7.502 1.00 0.00 C ATOM 413 CG2 VAL A 30 1.455 -10.501 -5.112 1.00 0.00 C ATOM 0 H VAL A 30 -0.221 -8.662 -6.773 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.545 -11.423 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 30 1.500 -11.911 -6.709 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.076 -10.102 -7.256 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.855 -10.323 -8.531 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.716 -8.963 -7.392 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.520 -10.592 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.136 -9.473 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.895 -11.170 -4.459 1.00 0.00 H new ATOM 423 N THR A 31 -1.191 -10.254 -4.690 1.00 0.00 N ATOM 424 CA THR A 31 -1.935 -10.515 -3.464 1.00 0.00 C ATOM 425 C THR A 31 -1.955 -9.287 -2.562 1.00 0.00 C ATOM 426 O THR A 31 -1.031 -8.473 -2.582 1.00 0.00 O ATOM 427 CB THR A 31 -1.335 -11.701 -2.684 1.00 0.00 C ATOM 428 OG1 THR A 31 -2.153 -12.005 -1.549 1.00 0.00 O ATOM 429 CG2 THR A 31 0.081 -11.385 -2.226 1.00 0.00 C ATOM 0 H THR A 31 -0.746 -9.337 -4.727 1.00 0.00 H new ATOM 0 HA THR A 31 -2.955 -10.763 -3.760 1.00 0.00 H new ATOM 0 HB THR A 31 -1.301 -12.565 -3.348 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.766 -12.761 -1.060 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.485 -12.236 -1.678 1.00 0.00 H new ATOM 0 HG22 THR A 31 0.708 -11.183 -3.095 1.00 0.00 H new ATOM 0 HG23 THR A 31 0.067 -10.509 -1.577 1.00 0.00 H new ATOM 437 N LYS A 32 -3.015 -9.158 -1.770 1.00 0.00 N ATOM 438 CA LYS A 32 -3.156 -8.029 -0.858 1.00 0.00 C ATOM 439 C LYS A 32 -2.175 -8.143 0.305 1.00 0.00 C ATOM 440 O LYS A 32 -1.548 -7.160 0.699 1.00 0.00 O ATOM 441 CB LYS A 32 -4.588 -7.953 -0.325 1.00 0.00 C ATOM 442 CG LYS A 32 -5.647 -8.149 -1.397 1.00 0.00 C ATOM 443 CD LYS A 32 -5.657 -6.998 -2.388 1.00 0.00 C ATOM 444 CE LYS A 32 -6.988 -6.901 -3.117 1.00 0.00 C ATOM 445 NZ LYS A 32 -7.027 -5.740 -4.049 1.00 0.00 N ATOM 0 H LYS A 32 -3.789 -9.822 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.932 -7.117 -1.412 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.720 -8.711 0.447 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.739 -6.984 0.150 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.462 -9.084 -1.926 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.628 -8.236 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -5.460 -6.063 -1.863 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.854 -7.133 -3.112 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -7.164 -7.821 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -7.795 -6.810 -2.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.402 -6.046 -4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.641 -4.999 -3.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.066 -5.363 -4.175 1.00 0.00 H new ATOM 459 N TYR A 33 -2.046 -9.348 0.848 1.00 0.00 N ATOM 460 CA TYR A 33 -1.142 -9.590 1.966 1.00 0.00 C ATOM 461 C TYR A 33 -0.017 -10.538 1.561 1.00 0.00 C ATOM 462 O TYR A 33 -0.120 -11.758 1.693 1.00 0.00 O ATOM 463 CB TYR A 33 -1.911 -10.171 3.154 1.00 0.00 C ATOM 464 CG TYR A 33 -2.599 -9.124 4.000 1.00 0.00 C ATOM 465 CD1 TYR A 33 -3.883 -8.689 3.694 1.00 0.00 C ATOM 466 CD2 TYR A 33 -1.966 -8.570 5.106 1.00 0.00 C ATOM 467 CE1 TYR A 33 -4.515 -7.732 4.464 1.00 0.00 C ATOM 468 CE2 TYR A 33 -2.591 -7.613 5.882 1.00 0.00 C ATOM 469 CZ TYR A 33 -3.865 -7.197 5.557 1.00 0.00 C ATOM 470 OH TYR A 33 -4.492 -6.245 6.327 1.00 0.00 O ATOM 0 H TYR A 33 -2.556 -10.173 0.532 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.702 -8.636 2.258 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.657 -10.875 2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -1.222 -10.737 3.781 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -4.395 -9.106 2.840 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.968 -8.893 5.363 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -5.513 -7.404 4.212 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.085 -7.193 6.738 1.00 0.00 H new ATOM 0 HH TYR A 33 -3.899 -5.973 7.058 1.00 0.00 H new ATOM 480 N PRO A 34 1.085 -9.964 1.057 1.00 0.00 N ATOM 481 CA PRO A 34 2.253 -10.738 0.623 1.00 0.00 C ATOM 482 C PRO A 34 2.998 -11.368 1.795 1.00 0.00 C ATOM 483 O PRO A 34 2.669 -11.124 2.956 1.00 0.00 O ATOM 484 CB PRO A 34 3.132 -9.695 -0.071 1.00 0.00 C ATOM 485 CG PRO A 34 2.742 -8.398 0.549 1.00 0.00 C ATOM 486 CD PRO A 34 1.278 -8.516 0.871 1.00 0.00 C ATOM 0 HA PRO A 34 1.973 -11.574 -0.018 1.00 0.00 H new ATOM 0 HB2 PRO A 34 4.191 -9.904 0.082 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.961 -9.686 -1.147 1.00 0.00 H new ATOM 0 HG2 PRO A 34 3.325 -8.205 1.449 1.00 0.00 H new ATOM 0 HG3 PRO A 34 2.926 -7.568 -0.134 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.018 -7.957 1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.657 -8.128 0.064 1.00 0.00 H new ATOM 494 N ASP A 35 4.003 -12.180 1.484 1.00 0.00 N ATOM 495 CA ASP A 35 4.796 -12.844 2.511 1.00 0.00 C ATOM 496 C ASP A 35 6.267 -12.456 2.398 1.00 0.00 C ATOM 497 O ASP A 35 6.675 -11.810 1.434 1.00 0.00 O ATOM 498 CB ASP A 35 4.646 -14.362 2.399 1.00 0.00 C ATOM 499 CG ASP A 35 4.851 -15.063 3.728 1.00 0.00 C ATOM 500 OD1 ASP A 35 3.870 -15.187 4.491 1.00 0.00 O ATOM 501 OD2 ASP A 35 5.991 -15.489 4.004 1.00 0.00 O ATOM 0 H ASP A 35 4.287 -12.394 0.528 1.00 0.00 H new ATOM 0 HA ASP A 35 4.428 -12.521 3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 35 3.654 -14.599 2.016 1.00 0.00 H new ATOM 0 HB3 ASP A 35 5.367 -14.743 1.675 1.00 0.00 H new ATOM 506 N GLU A 36 7.057 -12.853 3.390 1.00 0.00 N ATOM 507 CA GLU A 36 8.482 -12.545 3.402 1.00 0.00 C ATOM 508 C GLU A 36 9.131 -12.921 2.073 1.00 0.00 C ATOM 509 O GLU A 36 10.199 -12.417 1.726 1.00 0.00 O ATOM 510 CB GLU A 36 9.177 -13.282 4.549 1.00 0.00 C ATOM 511 CG GLU A 36 10.628 -12.876 4.742 1.00 0.00 C ATOM 512 CD GLU A 36 10.778 -11.650 5.622 1.00 0.00 C ATOM 513 OE1 GLU A 36 9.765 -10.955 5.848 1.00 0.00 O ATOM 514 OE2 GLU A 36 11.908 -11.385 6.083 1.00 0.00 O ATOM 0 H GLU A 36 6.734 -13.389 4.196 1.00 0.00 H new ATOM 0 HA GLU A 36 8.594 -11.471 3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 36 8.630 -13.096 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.130 -14.355 4.362 1.00 0.00 H new ATOM 0 HG2 GLU A 36 11.178 -13.706 5.185 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.079 -12.678 3.769 1.00 0.00 H new ATOM 521 N LYS A 37 8.478 -13.812 1.334 1.00 0.00 N ATOM 522 CA LYS A 37 8.989 -14.257 0.043 1.00 0.00 C ATOM 523 C LYS A 37 8.967 -13.120 -0.973 1.00 0.00 C ATOM 524 O LYS A 37 9.844 -13.026 -1.832 1.00 0.00 O ATOM 525 CB LYS A 37 8.162 -15.436 -0.477 1.00 0.00 C ATOM 526 CG LYS A 37 8.055 -16.586 0.509 1.00 0.00 C ATOM 527 CD LYS A 37 9.201 -17.570 0.344 1.00 0.00 C ATOM 528 CE LYS A 37 10.381 -17.205 1.232 1.00 0.00 C ATOM 529 NZ LYS A 37 11.677 -17.626 0.631 1.00 0.00 N ATOM 0 H LYS A 37 7.594 -14.240 1.607 1.00 0.00 H new ATOM 0 HA LYS A 37 10.022 -14.577 0.180 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.160 -15.085 -0.723 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.608 -15.802 -1.402 1.00 0.00 H new ATOM 0 HG2 LYS A 37 8.053 -16.195 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.106 -17.103 0.365 1.00 0.00 H new ATOM 0 HD2 LYS A 37 8.857 -18.575 0.589 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.520 -17.587 -0.698 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.391 -16.128 1.399 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.262 -17.678 2.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.457 -17.360 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 11.678 -18.657 0.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.803 -17.155 -0.288 1.00 0.00 H new ATOM 543 N ARG A 38 7.962 -12.257 -0.867 1.00 0.00 N ATOM 544 CA ARG A 38 7.827 -11.126 -1.776 1.00 0.00 C ATOM 545 C ARG A 38 8.653 -9.938 -1.292 1.00 0.00 C ATOM 546 O ARG A 38 9.237 -9.206 -2.093 1.00 0.00 O ATOM 547 CB ARG A 38 6.358 -10.720 -1.905 1.00 0.00 C ATOM 548 CG ARG A 38 6.015 -10.091 -3.245 1.00 0.00 C ATOM 549 CD ARG A 38 4.573 -10.371 -3.640 1.00 0.00 C ATOM 550 NE ARG A 38 4.386 -11.748 -4.089 1.00 0.00 N ATOM 551 CZ ARG A 38 4.901 -12.230 -5.214 1.00 0.00 C ATOM 552 NH1 ARG A 38 5.631 -11.452 -6.000 1.00 0.00 N ATOM 553 NH2 ARG A 38 4.686 -13.495 -5.554 1.00 0.00 N ATOM 0 H ARG A 38 7.229 -12.320 -0.160 1.00 0.00 H new ATOM 0 HA ARG A 38 8.200 -11.432 -2.754 1.00 0.00 H new ATOM 0 HB2 ARG A 38 5.732 -11.600 -1.756 1.00 0.00 H new ATOM 0 HB3 ARG A 38 6.113 -10.016 -1.110 1.00 0.00 H new ATOM 0 HG2 ARG A 38 6.177 -9.014 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 38 6.685 -10.479 -4.012 1.00 0.00 H new ATOM 0 HD2 ARG A 38 3.920 -10.175 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 38 4.276 -9.687 -4.435 1.00 0.00 H new ATOM 0 HE ARG A 38 3.829 -12.374 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 38 5.799 -10.480 -5.742 1.00 0.00 H new ATOM 0 HH12 ARG A 38 6.025 -11.825 -6.863 1.00 0.00 H new ATOM 0 HH21 ARG A 38 4.125 -14.097 -4.951 1.00 0.00 H new ATOM 0 HH22 ARG A 38 5.082 -13.865 -6.418 1.00 0.00 H new ATOM 567 N LEU A 39 8.697 -9.751 0.023 1.00 0.00 N ATOM 568 CA LEU A 39 9.452 -8.651 0.614 1.00 0.00 C ATOM 569 C LEU A 39 10.938 -8.777 0.295 1.00 0.00 C ATOM 570 O LEU A 39 11.598 -7.792 -0.038 1.00 0.00 O ATOM 571 CB LEU A 39 9.244 -8.622 2.129 1.00 0.00 C ATOM 572 CG LEU A 39 7.982 -7.912 2.620 1.00 0.00 C ATOM 573 CD1 LEU A 39 7.926 -6.490 2.082 1.00 0.00 C ATOM 574 CD2 LEU A 39 6.740 -8.688 2.211 1.00 0.00 C ATOM 0 H LEU A 39 8.219 -10.346 0.700 1.00 0.00 H new ATOM 0 HA LEU A 39 9.086 -7.718 0.185 1.00 0.00 H new ATOM 0 HB2 LEU A 39 9.223 -9.649 2.492 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.109 -8.140 2.585 1.00 0.00 H new ATOM 0 HG LEU A 39 8.015 -7.866 3.709 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.021 -6.000 2.442 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.800 -5.936 2.426 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.917 -6.513 0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.852 -8.168 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.701 -8.766 1.125 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.775 -9.687 2.646 1.00 0.00 H new ATOM 586 N LYS A 40 11.459 -9.995 0.397 1.00 0.00 N ATOM 587 CA LYS A 40 12.867 -10.251 0.117 1.00 0.00 C ATOM 588 C LYS A 40 13.268 -9.666 -1.234 1.00 0.00 C ATOM 589 O LYS A 40 14.356 -9.112 -1.382 1.00 0.00 O ATOM 590 CB LYS A 40 13.145 -11.756 0.135 1.00 0.00 C ATOM 591 CG LYS A 40 12.184 -12.564 -0.720 1.00 0.00 C ATOM 592 CD LYS A 40 12.740 -13.943 -1.033 1.00 0.00 C ATOM 593 CE LYS A 40 13.548 -13.938 -2.322 1.00 0.00 C ATOM 594 NZ LYS A 40 13.576 -15.282 -2.963 1.00 0.00 N ATOM 0 H LYS A 40 10.927 -10.821 0.672 1.00 0.00 H new ATOM 0 HA LYS A 40 13.460 -9.768 0.893 1.00 0.00 H new ATOM 0 HB2 LYS A 40 14.163 -11.933 -0.212 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.092 -12.114 1.163 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.231 -12.664 -0.201 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.987 -12.031 -1.650 1.00 0.00 H new ATOM 0 HD2 LYS A 40 13.370 -14.278 -0.209 1.00 0.00 H new ATOM 0 HD3 LYS A 40 11.920 -14.656 -1.119 1.00 0.00 H new ATOM 0 HE2 LYS A 40 13.121 -13.213 -3.016 1.00 0.00 H new ATOM 0 HE3 LYS A 40 14.567 -13.615 -2.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.136 -15.238 -3.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.006 -15.969 -2.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 12.605 -15.580 -3.188 1.00 0.00 H new ATOM 608 N GLY A 41 12.380 -9.792 -2.216 1.00 0.00 N ATOM 609 CA GLY A 41 12.660 -9.270 -3.540 1.00 0.00 C ATOM 610 C GLY A 41 12.656 -7.754 -3.578 1.00 0.00 C ATOM 611 O GLY A 41 13.639 -7.133 -3.986 1.00 0.00 O ATOM 0 H GLY A 41 11.472 -10.246 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.631 -9.636 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.917 -9.650 -4.242 1.00 0.00 H new ATOM 615 N LEU A 42 11.548 -7.156 -3.154 1.00 0.00 N ATOM 616 CA LEU A 42 11.420 -5.703 -3.143 1.00 0.00 C ATOM 617 C LEU A 42 12.568 -5.061 -2.371 1.00 0.00 C ATOM 618 O LEU A 42 13.097 -4.025 -2.774 1.00 0.00 O ATOM 619 CB LEU A 42 10.082 -5.295 -2.522 1.00 0.00 C ATOM 620 CG LEU A 42 8.838 -5.577 -3.364 1.00 0.00 C ATOM 621 CD1 LEU A 42 7.598 -5.624 -2.485 1.00 0.00 C ATOM 622 CD2 LEU A 42 8.682 -4.527 -4.455 1.00 0.00 C ATOM 0 H LEU A 42 10.726 -7.655 -2.814 1.00 0.00 H new ATOM 0 HA LEU A 42 11.458 -5.351 -4.174 1.00 0.00 H new ATOM 0 HB2 LEU A 42 9.975 -5.811 -1.568 1.00 0.00 H new ATOM 0 HB3 LEU A 42 10.115 -4.227 -2.305 1.00 0.00 H new ATOM 0 HG LEU A 42 8.958 -6.550 -3.840 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.722 -5.826 -3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.708 -6.414 -1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.473 -4.666 -1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.791 -4.744 -5.044 1.00 0.00 H new ATOM 0 HD22 LEU A 42 8.585 -3.541 -4.000 1.00 0.00 H new ATOM 0 HD23 LEU A 42 9.558 -4.543 -5.103 1.00 0.00 H new ATOM 634 N SER A 43 12.951 -5.684 -1.261 1.00 0.00 N ATOM 635 CA SER A 43 14.036 -5.172 -0.433 1.00 0.00 C ATOM 636 C SER A 43 15.181 -4.652 -1.297 1.00 0.00 C ATOM 637 O SER A 43 15.808 -3.643 -0.976 1.00 0.00 O ATOM 638 CB SER A 43 14.547 -6.266 0.507 1.00 0.00 C ATOM 639 OG SER A 43 15.835 -5.949 1.005 1.00 0.00 O ATOM 0 H SER A 43 12.526 -6.544 -0.915 1.00 0.00 H new ATOM 0 HA SER A 43 13.648 -4.344 0.160 1.00 0.00 H new ATOM 0 HB2 SER A 43 13.853 -6.390 1.338 1.00 0.00 H new ATOM 0 HB3 SER A 43 14.583 -7.218 -0.023 1.00 0.00 H new ATOM 0 HG SER A 43 15.850 -5.016 1.304 1.00 0.00 H new ATOM 645 N LYS A 44 15.448 -5.350 -2.396 1.00 0.00 N ATOM 646 CA LYS A 44 16.516 -4.961 -3.309 1.00 0.00 C ATOM 647 C LYS A 44 16.006 -3.972 -4.352 1.00 0.00 C ATOM 648 O LYS A 44 16.652 -2.962 -4.630 1.00 0.00 O ATOM 649 CB LYS A 44 17.097 -6.195 -4.002 1.00 0.00 C ATOM 650 CG LYS A 44 18.241 -6.839 -3.238 1.00 0.00 C ATOM 651 CD LYS A 44 18.685 -8.139 -3.889 1.00 0.00 C ATOM 652 CE LYS A 44 17.781 -9.296 -3.493 1.00 0.00 C ATOM 653 NZ LYS A 44 18.116 -10.541 -4.238 1.00 0.00 N ATOM 0 H LYS A 44 14.939 -6.188 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 44 17.300 -4.476 -2.727 1.00 0.00 H new ATOM 0 HB2 LYS A 44 16.304 -6.930 -4.141 1.00 0.00 H new ATOM 0 HB3 LYS A 44 17.447 -5.913 -4.995 1.00 0.00 H new ATOM 0 HG2 LYS A 44 19.083 -6.148 -3.191 1.00 0.00 H new ATOM 0 HG3 LYS A 44 17.931 -7.033 -2.211 1.00 0.00 H new ATOM 0 HD2 LYS A 44 18.679 -8.025 -4.973 1.00 0.00 H new ATOM 0 HD3 LYS A 44 19.712 -8.361 -3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 44 17.872 -9.478 -2.422 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.742 -9.027 -3.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 17.478 -11.306 -3.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.005 -10.375 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 19.100 -10.812 -4.036 1.00 0.00 H new ATOM 667 N GLN A 45 14.844 -4.269 -4.925 1.00 0.00 N ATOM 668 CA GLN A 45 14.248 -3.405 -5.937 1.00 0.00 C ATOM 669 C GLN A 45 14.246 -1.950 -5.478 1.00 0.00 C ATOM 670 O GLN A 45 14.815 -1.079 -6.138 1.00 0.00 O ATOM 671 CB GLN A 45 12.820 -3.856 -6.246 1.00 0.00 C ATOM 672 CG GLN A 45 12.150 -3.046 -7.344 1.00 0.00 C ATOM 673 CD GLN A 45 10.940 -3.746 -7.931 1.00 0.00 C ATOM 674 OE1 GLN A 45 11.022 -4.368 -8.990 1.00 0.00 O ATOM 675 NE2 GLN A 45 9.808 -3.648 -7.244 1.00 0.00 N ATOM 0 H GLN A 45 14.297 -5.101 -4.706 1.00 0.00 H new ATOM 0 HA GLN A 45 14.849 -3.481 -6.843 1.00 0.00 H new ATOM 0 HB2 GLN A 45 12.835 -4.906 -6.538 1.00 0.00 H new ATOM 0 HB3 GLN A 45 12.221 -3.786 -5.338 1.00 0.00 H new ATOM 0 HG2 GLN A 45 11.846 -2.079 -6.943 1.00 0.00 H new ATOM 0 HG3 GLN A 45 12.872 -2.850 -8.137 1.00 0.00 H new ATOM 0 HE21 GLN A 45 9.786 -3.122 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.961 -4.099 -7.590 1.00 0.00 H new ATOM 684 N LEU A 46 13.604 -1.694 -4.343 1.00 0.00 N ATOM 685 CA LEU A 46 13.528 -0.344 -3.796 1.00 0.00 C ATOM 686 C LEU A 46 14.561 -0.146 -2.691 1.00 0.00 C ATOM 687 O LEU A 46 14.371 0.671 -1.789 1.00 0.00 O ATOM 688 CB LEU A 46 12.124 -0.071 -3.252 1.00 0.00 C ATOM 689 CG LEU A 46 10.983 -0.164 -4.266 1.00 0.00 C ATOM 690 CD1 LEU A 46 9.681 -0.530 -3.571 1.00 0.00 C ATOM 691 CD2 LEU A 46 10.835 1.148 -5.023 1.00 0.00 C ATOM 0 H LEU A 46 13.129 -2.403 -3.784 1.00 0.00 H new ATOM 0 HA LEU A 46 13.743 0.360 -4.600 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.925 -0.776 -2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.113 0.927 -2.813 1.00 0.00 H new ATOM 0 HG LEU A 46 11.222 -0.949 -4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.880 -0.592 -4.308 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.792 -1.494 -3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.436 0.233 -2.832 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.019 1.064 -5.740 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.618 1.952 -4.319 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.762 1.369 -5.552 1.00 0.00 H new ATOM 703 N ASP A 47 15.654 -0.896 -2.768 1.00 0.00 N ATOM 704 CA ASP A 47 16.719 -0.801 -1.777 1.00 0.00 C ATOM 705 C ASP A 47 16.148 -0.509 -0.392 1.00 0.00 C ATOM 706 O ASP A 47 16.728 0.253 0.381 1.00 0.00 O ATOM 707 CB ASP A 47 17.716 0.291 -2.171 1.00 0.00 C ATOM 708 CG ASP A 47 18.995 0.228 -1.359 1.00 0.00 C ATOM 709 OD1 ASP A 47 19.397 -0.889 -0.971 1.00 0.00 O ATOM 710 OD2 ASP A 47 19.593 1.295 -1.111 1.00 0.00 O ATOM 0 H ASP A 47 15.826 -1.577 -3.507 1.00 0.00 H new ATOM 0 HA ASP A 47 17.236 -1.760 -1.743 1.00 0.00 H new ATOM 0 HB2 ASP A 47 17.956 0.195 -3.230 1.00 0.00 H new ATOM 0 HB3 ASP A 47 17.252 1.268 -2.037 1.00 0.00 H new ATOM 715 N TRP A 48 15.009 -1.120 -0.088 1.00 0.00 N ATOM 716 CA TRP A 48 14.359 -0.925 1.203 1.00 0.00 C ATOM 717 C TRP A 48 14.574 -2.133 2.109 1.00 0.00 C ATOM 718 O TRP A 48 15.237 -3.097 1.726 1.00 0.00 O ATOM 719 CB TRP A 48 12.862 -0.676 1.011 1.00 0.00 C ATOM 720 CG TRP A 48 12.518 0.774 0.853 1.00 0.00 C ATOM 721 CD1 TRP A 48 13.354 1.777 0.451 1.00 0.00 C ATOM 722 CD2 TRP A 48 11.245 1.384 1.094 1.00 0.00 C ATOM 723 NE1 TRP A 48 12.678 2.972 0.429 1.00 0.00 N ATOM 724 CE2 TRP A 48 11.382 2.758 0.817 1.00 0.00 C ATOM 725 CE3 TRP A 48 10.002 0.902 1.513 1.00 0.00 C ATOM 726 CZ2 TRP A 48 10.324 3.653 0.950 1.00 0.00 C ATOM 727 CZ3 TRP A 48 8.953 1.792 1.645 1.00 0.00 C ATOM 728 CH2 TRP A 48 9.118 3.154 1.363 1.00 0.00 C ATOM 0 H TRP A 48 14.517 -1.754 -0.717 1.00 0.00 H new ATOM 0 HA TRP A 48 14.807 -0.053 1.679 1.00 0.00 H new ATOM 0 HB2 TRP A 48 12.520 -1.221 0.131 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.321 -1.080 1.867 1.00 0.00 H new ATOM 0 HD1 TRP A 48 14.394 1.649 0.189 1.00 0.00 H new ATOM 0 HE1 TRP A 48 13.077 3.873 0.166 1.00 0.00 H new ATOM 0 HE3 TRP A 48 9.864 -0.147 1.730 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 10.450 4.704 0.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 7.989 1.431 1.971 1.00 0.00 H new ATOM 0 HH2 TRP A 48 8.278 3.823 1.474 1.00 0.00 H new ATOM 739 N SER A 49 14.008 -2.075 3.310 1.00 0.00 N ATOM 740 CA SER A 49 14.141 -3.163 4.271 1.00 0.00 C ATOM 741 C SER A 49 12.834 -3.941 4.395 1.00 0.00 C ATOM 742 O SER A 49 11.747 -3.372 4.289 1.00 0.00 O ATOM 743 CB SER A 49 14.554 -2.617 5.639 1.00 0.00 C ATOM 744 OG SER A 49 15.821 -1.986 5.574 1.00 0.00 O ATOM 0 H SER A 49 13.453 -1.286 3.641 1.00 0.00 H new ATOM 0 HA SER A 49 14.915 -3.841 3.910 1.00 0.00 H new ATOM 0 HB2 SER A 49 13.807 -1.905 5.991 1.00 0.00 H new ATOM 0 HB3 SER A 49 14.586 -3.430 6.364 1.00 0.00 H new ATOM 0 HG SER A 49 16.062 -1.644 6.460 1.00 0.00 H new ATOM 750 N VAL A 50 12.948 -5.246 4.621 1.00 0.00 N ATOM 751 CA VAL A 50 11.777 -6.103 4.761 1.00 0.00 C ATOM 752 C VAL A 50 10.758 -5.490 5.714 1.00 0.00 C ATOM 753 O VAL A 50 9.550 -5.638 5.527 1.00 0.00 O ATOM 754 CB VAL A 50 12.165 -7.504 5.272 1.00 0.00 C ATOM 755 CG1 VAL A 50 12.697 -7.424 6.695 1.00 0.00 C ATOM 756 CG2 VAL A 50 10.975 -8.448 5.191 1.00 0.00 C ATOM 0 H VAL A 50 13.840 -5.733 4.711 1.00 0.00 H new ATOM 0 HA VAL A 50 11.332 -6.196 3.770 1.00 0.00 H new ATOM 0 HB VAL A 50 12.957 -7.899 4.635 1.00 0.00 H new ATOM 0 HG11 VAL A 50 12.966 -8.423 7.040 1.00 0.00 H new ATOM 0 HG12 VAL A 50 13.578 -6.782 6.719 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.929 -7.010 7.348 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.266 -9.433 5.556 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.161 -8.061 5.803 1.00 0.00 H new ATOM 0 HG23 VAL A 50 10.644 -8.528 4.156 1.00 0.00 H new ATOM 766 N ARG A 51 11.253 -4.800 6.737 1.00 0.00 N ATOM 767 CA ARG A 51 10.386 -4.164 7.721 1.00 0.00 C ATOM 768 C ARG A 51 9.799 -2.867 7.171 1.00 0.00 C ATOM 769 O ARG A 51 8.581 -2.695 7.124 1.00 0.00 O ATOM 770 CB ARG A 51 11.161 -3.880 9.008 1.00 0.00 C ATOM 771 CG ARG A 51 11.494 -5.130 9.807 1.00 0.00 C ATOM 772 CD ARG A 51 12.663 -4.894 10.750 1.00 0.00 C ATOM 773 NE ARG A 51 12.709 -5.882 11.824 1.00 0.00 N ATOM 774 CZ ARG A 51 13.418 -5.726 12.937 1.00 0.00 C ATOM 775 NH1 ARG A 51 14.136 -4.627 13.120 1.00 0.00 N ATOM 776 NH2 ARG A 51 13.408 -6.671 13.869 1.00 0.00 N ATOM 0 H ARG A 51 12.250 -4.667 6.905 1.00 0.00 H new ATOM 0 HA ARG A 51 9.567 -4.848 7.942 1.00 0.00 H new ATOM 0 HB2 ARG A 51 12.087 -3.362 8.758 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.576 -3.205 9.633 1.00 0.00 H new ATOM 0 HG2 ARG A 51 10.620 -5.440 10.380 1.00 0.00 H new ATOM 0 HG3 ARG A 51 11.734 -5.946 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 51 13.595 -4.928 10.187 1.00 0.00 H new ATOM 0 HD3 ARG A 51 12.586 -3.895 11.180 1.00 0.00 H new ATOM 0 HE ARG A 51 12.167 -6.739 11.714 1.00 0.00 H new ATOM 0 HH11 ARG A 51 14.145 -3.899 12.406 1.00 0.00 H new ATOM 0 HH12 ARG A 51 14.679 -4.509 13.975 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.856 -7.518 13.731 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.952 -6.551 14.723 1.00 0.00 H new ATOM 790 N LYS A 52 10.674 -1.957 6.757 1.00 0.00 N ATOM 791 CA LYS A 52 10.245 -0.676 6.210 1.00 0.00 C ATOM 792 C LYS A 52 9.162 -0.870 5.153 1.00 0.00 C ATOM 793 O LYS A 52 8.147 -0.174 5.156 1.00 0.00 O ATOM 794 CB LYS A 52 11.437 0.068 5.603 1.00 0.00 C ATOM 795 CG LYS A 52 11.196 1.556 5.419 1.00 0.00 C ATOM 796 CD LYS A 52 12.393 2.241 4.782 1.00 0.00 C ATOM 797 CE LYS A 52 12.451 3.716 5.147 1.00 0.00 C ATOM 798 NZ LYS A 52 13.653 4.383 4.573 1.00 0.00 N ATOM 0 H LYS A 52 11.686 -2.083 6.790 1.00 0.00 H new ATOM 0 HA LYS A 52 9.830 -0.083 7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.307 -0.074 6.243 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.677 -0.375 4.636 1.00 0.00 H new ATOM 0 HG2 LYS A 52 10.315 1.708 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 52 10.986 2.014 6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 52 13.310 1.749 5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 52 12.340 2.135 3.698 1.00 0.00 H new ATOM 0 HE2 LYS A 52 11.552 4.215 4.786 1.00 0.00 H new ATOM 0 HE3 LYS A 52 12.460 3.822 6.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 13.656 5.387 4.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.512 3.923 4.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.631 4.305 3.536 1.00 0.00 H new ATOM 812 N ILE A 53 9.385 -1.821 4.253 1.00 0.00 N ATOM 813 CA ILE A 53 8.427 -2.109 3.193 1.00 0.00 C ATOM 814 C ILE A 53 7.084 -2.545 3.769 1.00 0.00 C ATOM 815 O ILE A 53 6.056 -1.919 3.512 1.00 0.00 O ATOM 816 CB ILE A 53 8.947 -3.206 2.245 1.00 0.00 C ATOM 817 CG1 ILE A 53 10.290 -2.792 1.639 1.00 0.00 C ATOM 818 CG2 ILE A 53 7.929 -3.487 1.150 1.00 0.00 C ATOM 819 CD1 ILE A 53 11.038 -3.936 0.991 1.00 0.00 C ATOM 0 H ILE A 53 10.221 -2.405 4.236 1.00 0.00 H new ATOM 0 HA ILE A 53 8.295 -1.186 2.629 1.00 0.00 H new ATOM 0 HB ILE A 53 9.095 -4.121 2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 53 10.120 -2.013 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.913 -2.357 2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 53 8.311 -4.264 0.488 1.00 0.00 H new ATOM 0 HG22 ILE A 53 6.994 -3.821 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 53 7.751 -2.577 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 53 11.980 -3.570 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.240 -4.707 1.735 1.00 0.00 H new ATOM 0 HD13 ILE A 53 10.434 -4.357 0.187 1.00 0.00 H new ATOM 831 N GLN A 54 7.103 -3.621 4.549 1.00 0.00 N ATOM 832 CA GLN A 54 5.886 -4.139 5.163 1.00 0.00 C ATOM 833 C GLN A 54 4.988 -3.002 5.638 1.00 0.00 C ATOM 834 O GLN A 54 3.792 -2.978 5.345 1.00 0.00 O ATOM 835 CB GLN A 54 6.233 -5.056 6.337 1.00 0.00 C ATOM 836 CG GLN A 54 6.711 -6.435 5.912 1.00 0.00 C ATOM 837 CD GLN A 54 5.568 -7.405 5.684 1.00 0.00 C ATOM 838 OE1 GLN A 54 4.461 -7.004 5.324 1.00 0.00 O ATOM 839 NE2 GLN A 54 5.831 -8.689 5.894 1.00 0.00 N ATOM 0 H GLN A 54 7.946 -4.150 4.771 1.00 0.00 H new ATOM 0 HA GLN A 54 5.345 -4.713 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.007 -4.582 6.940 1.00 0.00 H new ATOM 0 HB3 GLN A 54 5.355 -5.165 6.974 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.295 -6.346 4.996 1.00 0.00 H new ATOM 0 HG3 GLN A 54 7.376 -6.836 6.677 1.00 0.00 H new ATOM 0 HE21 GLN A 54 6.763 -8.977 6.192 1.00 0.00 H new ATOM 0 HE22 GLN A 54 5.101 -9.388 5.757 1.00 0.00 H new ATOM 848 N CYS A 55 5.572 -2.062 6.373 1.00 0.00 N ATOM 849 CA CYS A 55 4.824 -0.921 6.890 1.00 0.00 C ATOM 850 C CYS A 55 4.023 -0.248 5.781 1.00 0.00 C ATOM 851 O CYS A 55 2.846 0.066 5.955 1.00 0.00 O ATOM 852 CB CYS A 55 5.775 0.089 7.534 1.00 0.00 C ATOM 853 SG CYS A 55 4.942 1.412 8.441 1.00 0.00 S ATOM 0 H CYS A 55 6.561 -2.067 6.624 1.00 0.00 H new ATOM 0 HA CYS A 55 4.128 -1.286 7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 55 6.442 -0.439 8.215 1.00 0.00 H new ATOM 0 HB3 CYS A 55 6.398 0.532 6.757 1.00 0.00 H new ATOM 0 HG CYS A 55 5.829 2.214 8.951 1.00 0.00 H new ATOM 859 N TRP A 56 4.670 -0.028 4.642 1.00 0.00 N ATOM 860 CA TRP A 56 4.018 0.610 3.504 1.00 0.00 C ATOM 861 C TRP A 56 2.716 -0.102 3.152 1.00 0.00 C ATOM 862 O TRP A 56 1.654 0.517 3.096 1.00 0.00 O ATOM 863 CB TRP A 56 4.952 0.619 2.293 1.00 0.00 C ATOM 864 CG TRP A 56 4.407 1.388 1.127 1.00 0.00 C ATOM 865 CD1 TRP A 56 4.670 2.690 0.809 1.00 0.00 C ATOM 866 CD2 TRP A 56 3.505 0.902 0.127 1.00 0.00 C ATOM 867 NE1 TRP A 56 3.985 3.042 -0.329 1.00 0.00 N ATOM 868 CE2 TRP A 56 3.264 1.963 -0.767 1.00 0.00 C ATOM 869 CE3 TRP A 56 2.879 -0.326 -0.101 1.00 0.00 C ATOM 870 CZ2 TRP A 56 2.424 1.831 -1.869 1.00 0.00 C ATOM 871 CZ3 TRP A 56 2.045 -0.455 -1.195 1.00 0.00 C ATOM 872 CH2 TRP A 56 1.824 0.618 -2.069 1.00 0.00 C ATOM 0 H TRP A 56 5.645 -0.282 4.482 1.00 0.00 H new ATOM 0 HA TRP A 56 3.785 1.638 3.781 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.910 1.048 2.586 1.00 0.00 H new ATOM 0 HB3 TRP A 56 5.144 -0.408 1.984 1.00 0.00 H new ATOM 0 HD1 TRP A 56 5.320 3.346 1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 56 4.010 3.959 -0.775 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.044 -1.159 0.566 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 2.252 2.657 -2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 1.555 -1.399 -1.380 1.00 0.00 H new ATOM 0 HH2 TRP A 56 1.168 0.485 -2.916 1.00 0.00 H new ATOM 883 N PHE A 57 2.807 -1.407 2.915 1.00 0.00 N ATOM 884 CA PHE A 57 1.636 -2.204 2.568 1.00 0.00 C ATOM 885 C PHE A 57 0.466 -1.883 3.493 1.00 0.00 C ATOM 886 O PHE A 57 -0.637 -1.583 3.036 1.00 0.00 O ATOM 887 CB PHE A 57 1.967 -3.695 2.644 1.00 0.00 C ATOM 888 CG PHE A 57 2.479 -4.262 1.350 1.00 0.00 C ATOM 889 CD1 PHE A 57 3.823 -4.176 1.024 1.00 0.00 C ATOM 890 CD2 PHE A 57 1.616 -4.881 0.460 1.00 0.00 C ATOM 891 CE1 PHE A 57 4.297 -4.697 -0.165 1.00 0.00 C ATOM 892 CE2 PHE A 57 2.084 -5.404 -0.730 1.00 0.00 C ATOM 893 CZ PHE A 57 3.426 -5.311 -1.044 1.00 0.00 C ATOM 0 H PHE A 57 3.679 -1.934 2.957 1.00 0.00 H new ATOM 0 HA PHE A 57 1.348 -1.955 1.547 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.714 -3.854 3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.073 -4.243 2.943 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.508 -3.696 1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 57 0.565 -4.955 0.699 1.00 0.00 H new ATOM 0 HE1 PHE A 57 5.347 -4.624 -0.407 1.00 0.00 H new ATOM 0 HE2 PHE A 57 1.401 -5.885 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.793 -5.717 -1.975 1.00 0.00 H new ATOM 903 N ARG A 58 0.715 -1.950 4.797 1.00 0.00 N ATOM 904 CA ARG A 58 -0.317 -1.669 5.787 1.00 0.00 C ATOM 905 C ARG A 58 -0.984 -0.325 5.511 1.00 0.00 C ATOM 906 O ARG A 58 -2.195 -0.175 5.679 1.00 0.00 O ATOM 907 CB ARG A 58 0.282 -1.674 7.195 1.00 0.00 C ATOM 908 CG ARG A 58 0.713 -3.052 7.669 1.00 0.00 C ATOM 909 CD ARG A 58 0.909 -3.087 9.177 1.00 0.00 C ATOM 910 NE ARG A 58 2.106 -2.360 9.590 1.00 0.00 N ATOM 911 CZ ARG A 58 2.642 -2.454 10.802 1.00 0.00 C ATOM 912 NH1 ARG A 58 2.089 -3.241 11.715 1.00 0.00 N ATOM 913 NH2 ARG A 58 3.733 -1.761 11.102 1.00 0.00 N ATOM 0 H ARG A 58 1.623 -2.196 5.192 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.073 -2.451 5.719 1.00 0.00 H new ATOM 0 HB2 ARG A 58 1.143 -1.006 7.217 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.451 -1.272 7.894 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.038 -3.788 7.382 1.00 0.00 H new ATOM 0 HG3 ARG A 58 1.642 -3.334 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.036 -2.655 9.666 1.00 0.00 H new ATOM 0 HD3 ARG A 58 0.981 -4.123 9.509 1.00 0.00 H new ATOM 0 HE ARG A 58 2.555 -1.746 8.911 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.251 -3.776 11.487 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.502 -3.312 12.645 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.161 -1.155 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.144 -1.834 12.033 1.00 0.00 H new ATOM 927 N HIS A 59 -0.186 0.650 5.087 1.00 0.00 N ATOM 928 CA HIS A 59 -0.699 1.982 4.788 1.00 0.00 C ATOM 929 C HIS A 59 -1.621 1.949 3.573 1.00 0.00 C ATOM 930 O HIS A 59 -2.720 2.503 3.600 1.00 0.00 O ATOM 931 CB HIS A 59 0.456 2.952 4.539 1.00 0.00 C ATOM 932 CG HIS A 59 0.011 4.310 4.089 1.00 0.00 C ATOM 933 ND1 HIS A 59 -0.082 5.391 4.940 1.00 0.00 N ATOM 934 CD2 HIS A 59 -0.365 4.759 2.869 1.00 0.00 C ATOM 935 CE1 HIS A 59 -0.498 6.447 4.262 1.00 0.00 C ATOM 936 NE2 HIS A 59 -0.676 6.090 3.003 1.00 0.00 N ATOM 0 H HIS A 59 0.818 0.543 4.943 1.00 0.00 H new ATOM 0 HA HIS A 59 -1.273 2.325 5.649 1.00 0.00 H new ATOM 0 HB2 HIS A 59 1.038 3.054 5.455 1.00 0.00 H new ATOM 0 HB3 HIS A 59 1.120 2.528 3.786 1.00 0.00 H new ATOM 0 HD1 HIS A 59 0.136 5.378 5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -0.412 4.179 1.959 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -0.664 7.434 4.669 1.00 0.00 H new ATOM 945 N ARG A 60 -1.166 1.295 2.508 1.00 0.00 N ATOM 946 CA ARG A 60 -1.950 1.192 1.283 1.00 0.00 C ATOM 947 C ARG A 60 -3.419 0.925 1.598 1.00 0.00 C ATOM 948 O ARG A 60 -4.286 1.749 1.307 1.00 0.00 O ATOM 949 CB ARG A 60 -1.397 0.078 0.392 1.00 0.00 C ATOM 950 CG ARG A 60 -2.214 -0.155 -0.868 1.00 0.00 C ATOM 951 CD ARG A 60 -1.997 0.954 -1.886 1.00 0.00 C ATOM 952 NE ARG A 60 -3.178 1.173 -2.717 1.00 0.00 N ATOM 953 CZ ARG A 60 -3.638 0.282 -3.588 1.00 0.00 C ATOM 954 NH1 ARG A 60 -3.021 -0.881 -3.742 1.00 0.00 N ATOM 955 NH2 ARG A 60 -4.719 0.555 -4.309 1.00 0.00 N ATOM 0 H ARG A 60 -0.259 0.829 2.469 1.00 0.00 H new ATOM 0 HA ARG A 60 -1.878 2.142 0.753 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -0.373 0.324 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.357 -0.848 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -1.940 -1.114 -1.309 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -3.272 -0.213 -0.611 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.743 1.878 -1.367 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.148 0.702 -2.522 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.676 2.058 -2.623 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -2.190 -1.094 -3.191 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.377 -1.563 -4.412 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -5.196 1.449 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -5.072 -0.129 -4.978 1.00 0.00 H new ATOM 969 N ARG A 61 -3.690 -0.232 2.193 1.00 0.00 N ATOM 970 CA ARG A 61 -5.054 -0.609 2.545 1.00 0.00 C ATOM 971 C ARG A 61 -5.858 0.611 2.985 1.00 0.00 C ATOM 972 O ARG A 61 -6.889 0.932 2.397 1.00 0.00 O ATOM 973 CB ARG A 61 -5.044 -1.656 3.660 1.00 0.00 C ATOM 974 CG ARG A 61 -4.993 -3.087 3.150 1.00 0.00 C ATOM 975 CD ARG A 61 -5.539 -4.065 4.179 1.00 0.00 C ATOM 976 NE ARG A 61 -6.993 -3.987 4.290 1.00 0.00 N ATOM 977 CZ ARG A 61 -7.691 -4.596 5.242 1.00 0.00 C ATOM 978 NH1 ARG A 61 -7.071 -5.324 6.161 1.00 0.00 N ATOM 979 NH2 ARG A 61 -9.012 -4.478 5.277 1.00 0.00 N ATOM 0 H ARG A 61 -2.983 -0.924 2.441 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.527 -1.035 1.660 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -4.184 -1.478 4.306 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.936 -1.529 4.274 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.570 -3.167 2.229 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -3.964 -3.351 2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -5.250 -5.079 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.090 -3.858 5.150 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.500 -3.435 3.599 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.056 -5.417 6.138 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.610 -5.790 6.891 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.493 -3.919 4.572 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.547 -4.946 6.009 1.00 0.00 H new ATOM 993 N ASN A 62 -5.378 1.286 4.024 1.00 0.00 N ATOM 994 CA ASN A 62 -6.053 2.470 4.544 1.00 0.00 C ATOM 995 C ASN A 62 -6.382 3.446 3.419 1.00 0.00 C ATOM 996 O ASN A 62 -7.486 3.986 3.356 1.00 0.00 O ATOM 997 CB ASN A 62 -5.180 3.160 5.595 1.00 0.00 C ATOM 998 CG ASN A 62 -5.259 2.481 6.949 1.00 0.00 C ATOM 999 OD1 ASN A 62 -6.320 2.009 7.357 1.00 0.00 O ATOM 1000 ND2 ASN A 62 -4.134 2.430 7.651 1.00 0.00 N ATOM 0 H ASN A 62 -4.525 1.034 4.523 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.986 2.152 5.009 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.144 3.167 5.255 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.490 4.200 5.695 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -4.126 1.986 8.569 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -3.278 2.835 7.272 1.00 0.00 H new ATOM 1007 N GLN A 63 -5.416 3.668 2.534 1.00 0.00 N ATOM 1008 CA GLN A 63 -5.603 4.580 1.412 1.00 0.00 C ATOM 1009 C GLN A 63 -6.697 4.074 0.477 1.00 0.00 C ATOM 1010 O GLN A 63 -7.496 4.856 -0.039 1.00 0.00 O ATOM 1011 CB GLN A 63 -4.294 4.748 0.640 1.00 0.00 C ATOM 1012 CG GLN A 63 -4.157 6.102 -0.038 1.00 0.00 C ATOM 1013 CD GLN A 63 -4.277 7.257 0.936 1.00 0.00 C ATOM 1014 OE1 GLN A 63 -5.380 7.652 1.315 1.00 0.00 O ATOM 1015 NE2 GLN A 63 -3.140 7.806 1.347 1.00 0.00 N ATOM 0 H GLN A 63 -4.496 3.229 2.572 1.00 0.00 H new ATOM 0 HA GLN A 63 -5.908 5.548 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.458 4.607 1.325 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -4.224 3.964 -0.114 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -3.192 6.156 -0.542 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -4.924 6.199 -0.806 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -2.248 7.447 1.007 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.159 8.587 2.003 1.00 0.00 H new ATOM 1024 N ASP A 64 -6.726 2.764 0.262 1.00 0.00 N ATOM 1025 CA ASP A 64 -7.722 2.153 -0.610 1.00 0.00 C ATOM 1026 C ASP A 64 -9.121 2.291 -0.018 1.00 0.00 C ATOM 1027 O ASP A 64 -10.062 2.687 -0.706 1.00 0.00 O ATOM 1028 CB ASP A 64 -7.395 0.677 -0.839 1.00 0.00 C ATOM 1029 CG ASP A 64 -8.143 0.094 -2.022 1.00 0.00 C ATOM 1030 OD1 ASP A 64 -9.239 0.603 -2.339 1.00 0.00 O ATOM 1031 OD2 ASP A 64 -7.634 -0.871 -2.629 1.00 0.00 O ATOM 0 H ASP A 64 -6.070 2.104 0.680 1.00 0.00 H new ATOM 0 HA ASP A 64 -7.699 2.674 -1.567 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -6.323 0.566 -1.001 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -7.642 0.110 0.058 1.00 0.00 H new ATOM 1036 N LYS A 65 -9.251 1.962 1.263 1.00 0.00 N ATOM 1037 CA LYS A 65 -10.534 2.049 1.949 1.00 0.00 C ATOM 1038 C LYS A 65 -11.109 3.458 1.852 1.00 0.00 C ATOM 1039 O LYS A 65 -10.421 4.453 2.082 1.00 0.00 O ATOM 1040 CB LYS A 65 -10.378 1.651 3.419 1.00 0.00 C ATOM 1041 CG LYS A 65 -9.704 0.304 3.616 1.00 0.00 C ATOM 1042 CD LYS A 65 -10.689 -0.841 3.456 1.00 0.00 C ATOM 1043 CE LYS A 65 -10.741 -1.334 2.018 1.00 0.00 C ATOM 1044 NZ LYS A 65 -9.758 -2.424 1.769 1.00 0.00 N ATOM 0 H LYS A 65 -8.482 1.632 1.847 1.00 0.00 H new ATOM 0 HA LYS A 65 -11.224 1.360 1.463 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.798 2.417 3.935 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.362 1.627 3.887 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.895 0.192 2.895 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.255 0.263 4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -10.404 -1.662 4.113 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.682 -0.515 3.766 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.745 -1.693 1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.541 -0.503 1.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.825 -2.732 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -8.797 -2.075 1.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.964 -3.228 2.396 1.00 0.00 H new ATOM 1058 N PRO A 66 -12.402 3.548 1.503 1.00 0.00 N ATOM 1059 CA PRO A 66 -13.098 4.831 1.369 1.00 0.00 C ATOM 1060 C PRO A 66 -13.311 5.518 2.714 1.00 0.00 C ATOM 1061 O PRO A 66 -13.005 6.700 2.873 1.00 0.00 O ATOM 1062 CB PRO A 66 -14.442 4.443 0.748 1.00 0.00 C ATOM 1063 CG PRO A 66 -14.651 3.025 1.155 1.00 0.00 C ATOM 1064 CD PRO A 66 -13.283 2.404 1.214 1.00 0.00 C ATOM 0 HA PRO A 66 -12.528 5.544 0.773 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -15.246 5.082 1.113 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -14.421 4.545 -0.337 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.148 2.966 2.123 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.286 2.503 0.439 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -13.221 1.642 1.991 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.020 1.922 0.273 1.00 0.00 H new ATOM 1072 N SER A 67 -13.837 4.770 3.678 1.00 0.00 N ATOM 1073 CA SER A 67 -14.094 5.309 5.009 1.00 0.00 C ATOM 1074 C SER A 67 -14.557 6.760 4.927 1.00 0.00 C ATOM 1075 O SER A 67 -14.011 7.636 5.596 1.00 0.00 O ATOM 1076 CB SER A 67 -12.836 5.210 5.874 1.00 0.00 C ATOM 1077 OG SER A 67 -12.497 3.858 6.129 1.00 0.00 O ATOM 0 H SER A 67 -14.094 3.790 3.563 1.00 0.00 H new ATOM 0 HA SER A 67 -14.888 4.718 5.467 1.00 0.00 H new ATOM 0 HB2 SER A 67 -12.006 5.708 5.373 1.00 0.00 H new ATOM 0 HB3 SER A 67 -12.998 5.732 6.817 1.00 0.00 H new ATOM 0 HG SER A 67 -11.689 3.822 6.682 1.00 0.00 H new ATOM 1083 N GLY A 68 -15.570 7.006 4.102 1.00 0.00 N ATOM 1084 CA GLY A 68 -16.090 8.352 3.947 1.00 0.00 C ATOM 1085 C GLY A 68 -17.127 8.450 2.845 1.00 0.00 C ATOM 1086 O GLY A 68 -16.826 8.821 1.711 1.00 0.00 O ATOM 0 H GLY A 68 -16.040 6.297 3.538 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.533 8.678 4.888 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -15.267 9.033 3.729 1.00 0.00 H new ATOM 1090 N PRO A 69 -18.381 8.109 3.177 1.00 0.00 N ATOM 1091 CA PRO A 69 -19.492 8.150 2.221 1.00 0.00 C ATOM 1092 C PRO A 69 -19.876 9.576 1.840 1.00 0.00 C ATOM 1093 O PRO A 69 -19.956 10.457 2.696 1.00 0.00 O ATOM 1094 CB PRO A 69 -20.637 7.472 2.977 1.00 0.00 C ATOM 1095 CG PRO A 69 -20.313 7.676 4.417 1.00 0.00 C ATOM 1096 CD PRO A 69 -18.812 7.657 4.510 1.00 0.00 C ATOM 0 HA PRO A 69 -19.238 7.663 1.280 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -21.599 7.917 2.721 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -20.700 6.412 2.732 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -20.714 8.623 4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -20.752 6.890 5.031 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -18.450 8.320 5.296 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -18.436 6.659 4.737 1.00 0.00 H new ATOM 1104 N SER A 70 -20.113 9.796 0.551 1.00 0.00 N ATOM 1105 CA SER A 70 -20.485 11.116 0.056 1.00 0.00 C ATOM 1106 C SER A 70 -21.544 11.008 -1.037 1.00 0.00 C ATOM 1107 O SER A 70 -21.772 9.933 -1.591 1.00 0.00 O ATOM 1108 CB SER A 70 -19.254 11.849 -0.480 1.00 0.00 C ATOM 1109 OG SER A 70 -19.609 13.106 -1.031 1.00 0.00 O ATOM 0 H SER A 70 -20.054 9.077 -0.170 1.00 0.00 H new ATOM 0 HA SER A 70 -20.903 11.684 0.887 1.00 0.00 H new ATOM 0 HB2 SER A 70 -18.533 11.992 0.325 1.00 0.00 H new ATOM 0 HB3 SER A 70 -18.766 11.239 -1.241 1.00 0.00 H new ATOM 0 HG SER A 70 -18.805 13.556 -1.365 1.00 0.00 H new ATOM 1115 N SER A 71 -22.187 12.130 -1.343 1.00 0.00 N ATOM 1116 CA SER A 71 -23.224 12.162 -2.368 1.00 0.00 C ATOM 1117 C SER A 71 -22.857 11.258 -3.541 1.00 0.00 C ATOM 1118 O SER A 71 -21.730 11.289 -4.034 1.00 0.00 O ATOM 1119 CB SER A 71 -23.439 13.595 -2.860 1.00 0.00 C ATOM 1120 OG SER A 71 -24.197 13.613 -4.058 1.00 0.00 O ATOM 0 H SER A 71 -22.008 13.029 -0.896 1.00 0.00 H new ATOM 0 HA SER A 71 -24.150 11.794 -1.926 1.00 0.00 H new ATOM 0 HB2 SER A 71 -23.952 14.174 -2.092 1.00 0.00 H new ATOM 0 HB3 SER A 71 -22.474 14.074 -3.029 1.00 0.00 H new ATOM 0 HG SER A 71 -24.322 14.539 -4.352 1.00 0.00 H new ATOM 1126 N GLY A 72 -23.819 10.453 -3.983 1.00 0.00 N ATOM 1127 CA GLY A 72 -23.578 9.552 -5.094 1.00 0.00 C ATOM 1128 C GLY A 72 -23.442 8.109 -4.651 1.00 0.00 C ATOM 1129 O GLY A 72 -22.802 7.303 -5.326 1.00 0.00 O ATOM 0 H GLY A 72 -24.760 10.409 -3.591 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -24.397 9.634 -5.808 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -22.670 9.856 -5.614 1.00 0.00 H new TER 1133 GLY A 72