USER MOD reduce.3.24.130724 H: found=0, std=0, add=810, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 807 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 48 CYS SG : rot -120:sc= -1.94 USER MOD Set 1.2: A 52 SER OG : rot 180:sc= 0.194 USER MOD Set 2.1: A 26 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 21 THR OG1 : rot 180:sc= -1.49 USER MOD Set 3.2: A 24 THR OG1 : rot 180:sc= -1.27 USER MOD Set 4.1: A 9 THR OG1 : rot 90:sc= -0.496 USER MOD Set 4.2: A 87 ASN : amide:sc= -5.34! C(o=-5.8!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ -114:sc= 0.0845 (180deg=0) USER MOD Single : A 2 SER OG : rot 56:sc= 0.063 USER MOD Single : A 3 SER OG : rot 53:sc= 0.16 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.0667 K(o=-0.067,f=-1.6!) USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.00394 USER MOD Single : A 25 THR OG1 : rot -70:sc= -0.585 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 30:sc= -1.22 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.222 USER MOD Single : A 59 ASN : amide:sc= 0.0353 K(o=0.035,f=-15!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 CYS SG : rot 51:sc= -0.925 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot -60:sc= 1.27 USER MOD Single : A 92 SER OG : rot -72:sc= 0.318 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.146 USER MOD Single : A 99 GLN : amide:sc= -0.0559 K(o=-0.056,f=-1.3) USER MOD Single : A 102 THR OG1 : rot -150:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot -9:sc= 0.762 USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.679 30.017 2.866 1.00 0.00 N ATOM 2 CA GLY A 1 -6.710 29.895 1.790 1.00 0.00 C ATOM 3 C GLY A 1 -6.051 28.514 1.800 1.00 0.00 C ATOM 4 O GLY A 1 -6.135 27.789 2.790 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.634 30.109 2.464 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.637 29.171 3.469 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.461 30.859 3.436 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.203 30.060 0.832 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.947 30.667 1.893 1.00 0.00 H new ATOM 8 N SER A 2 -5.409 28.192 0.687 1.00 0.00 N ATOM 9 CA SER A 2 -4.736 26.911 0.555 1.00 0.00 C ATOM 10 C SER A 2 -3.935 26.873 -0.748 1.00 0.00 C ATOM 11 O SER A 2 -4.253 27.587 -1.698 1.00 0.00 O ATOM 12 CB SER A 2 -5.737 25.756 0.596 1.00 0.00 C ATOM 13 OG SER A 2 -5.615 24.986 1.790 1.00 0.00 O ATOM 0 H SER A 2 -5.341 28.796 -0.132 1.00 0.00 H new ATOM 0 HA SER A 2 -4.054 26.795 1.397 1.00 0.00 H new ATOM 0 HB2 SER A 2 -6.750 26.151 0.521 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.582 25.111 -0.269 1.00 0.00 H new ATOM 0 HG SER A 2 -5.714 25.572 2.569 1.00 0.00 H new ATOM 19 N SER A 3 -2.911 26.032 -0.752 1.00 0.00 N ATOM 20 CA SER A 3 -2.062 25.891 -1.923 1.00 0.00 C ATOM 21 C SER A 3 -1.148 24.675 -1.763 1.00 0.00 C ATOM 22 O SER A 3 -0.313 24.636 -0.861 1.00 0.00 O ATOM 23 CB SER A 3 -1.230 27.154 -2.155 1.00 0.00 C ATOM 24 OG SER A 3 -1.723 27.926 -3.246 1.00 0.00 O ATOM 0 H SER A 3 -2.650 25.441 0.037 1.00 0.00 H new ATOM 0 HA SER A 3 -2.701 25.745 -2.794 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.234 27.762 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 3 -0.194 26.875 -2.347 1.00 0.00 H new ATOM 0 HG SER A 3 -2.677 28.107 -3.114 1.00 0.00 H new ATOM 30 N GLY A 4 -1.337 23.712 -2.653 1.00 0.00 N ATOM 31 CA GLY A 4 -0.540 22.498 -2.622 1.00 0.00 C ATOM 32 C GLY A 4 -0.799 21.704 -1.340 1.00 0.00 C ATOM 33 O GLY A 4 -0.664 22.236 -0.239 1.00 0.00 O ATOM 0 H GLY A 4 -2.031 23.748 -3.400 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -0.776 21.882 -3.490 1.00 0.00 H new ATOM 0 HA3 GLY A 4 0.518 22.752 -2.689 1.00 0.00 H new ATOM 37 N SER A 5 -1.165 20.445 -1.525 1.00 0.00 N ATOM 38 CA SER A 5 -1.444 19.573 -0.397 1.00 0.00 C ATOM 39 C SER A 5 -0.172 19.357 0.425 1.00 0.00 C ATOM 40 O SER A 5 0.935 19.541 -0.079 1.00 0.00 O ATOM 41 CB SER A 5 -2.008 18.229 -0.865 1.00 0.00 C ATOM 42 OG SER A 5 -3.395 18.098 -0.564 1.00 0.00 O ATOM 0 H SER A 5 -1.275 20.007 -2.440 1.00 0.00 H new ATOM 0 HA SER A 5 -2.196 20.054 0.228 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.859 18.128 -1.940 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.456 17.419 -0.389 1.00 0.00 H new ATOM 0 HG SER A 5 -3.718 17.228 -0.880 1.00 0.00 H new ATOM 48 N SER A 6 -0.372 18.970 1.676 1.00 0.00 N ATOM 49 CA SER A 6 0.745 18.727 2.572 1.00 0.00 C ATOM 50 C SER A 6 0.541 17.407 3.318 1.00 0.00 C ATOM 51 O SER A 6 -0.511 17.183 3.915 1.00 0.00 O ATOM 52 CB SER A 6 0.914 19.877 3.567 1.00 0.00 C ATOM 53 OG SER A 6 2.187 19.848 4.207 1.00 0.00 O ATOM 0 H SER A 6 -1.292 18.819 2.090 1.00 0.00 H new ATOM 0 HA SER A 6 1.654 18.663 1.974 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.792 20.827 3.047 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.128 19.823 4.321 1.00 0.00 H new ATOM 0 HG SER A 6 2.256 20.599 4.833 1.00 0.00 H new ATOM 59 N GLY A 7 1.564 16.566 3.259 1.00 0.00 N ATOM 60 CA GLY A 7 1.509 15.274 3.922 1.00 0.00 C ATOM 61 C GLY A 7 1.256 14.152 2.914 1.00 0.00 C ATOM 62 O GLY A 7 0.727 14.393 1.830 1.00 0.00 O ATOM 0 H GLY A 7 2.435 16.754 2.763 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.446 15.091 4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 7 0.718 15.279 4.672 1.00 0.00 H new ATOM 66 N PRO A 8 1.655 12.916 3.317 1.00 0.00 N ATOM 67 CA PRO A 8 1.477 11.755 2.462 1.00 0.00 C ATOM 68 C PRO A 8 0.013 11.312 2.437 1.00 0.00 C ATOM 69 O PRO A 8 -0.675 11.373 3.455 1.00 0.00 O ATOM 70 CB PRO A 8 2.408 10.698 3.033 1.00 0.00 C ATOM 71 CG PRO A 8 2.723 11.143 4.452 1.00 0.00 C ATOM 72 CD PRO A 8 2.285 12.592 4.594 1.00 0.00 C ATOM 0 HA PRO A 8 1.721 11.959 1.420 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.934 9.716 3.028 1.00 0.00 H new ATOM 0 HB3 PRO A 8 3.318 10.616 2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 8 2.202 10.514 5.174 1.00 0.00 H new ATOM 0 HG3 PRO A 8 3.789 11.045 4.655 1.00 0.00 H new ATOM 0 HD2 PRO A 8 1.587 12.715 5.422 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.135 13.245 4.793 1.00 0.00 H new ATOM 80 N THR A 9 -0.420 10.875 1.263 1.00 0.00 N ATOM 81 CA THR A 9 -1.790 10.422 1.093 1.00 0.00 C ATOM 82 C THR A 9 -2.165 9.430 2.196 1.00 0.00 C ATOM 83 O THR A 9 -1.326 9.062 3.016 1.00 0.00 O ATOM 84 CB THR A 9 -1.925 9.842 -0.317 1.00 0.00 C ATOM 85 OG1 THR A 9 -1.069 8.703 -0.306 1.00 0.00 O ATOM 86 CG2 THR A 9 -1.318 10.754 -1.385 1.00 0.00 C ATOM 0 H THR A 9 0.154 10.825 0.421 1.00 0.00 H new ATOM 0 HA THR A 9 -2.494 11.248 1.189 1.00 0.00 H new ATOM 0 HB THR A 9 -2.978 9.672 -0.541 1.00 0.00 H new ATOM 0 HG1 THR A 9 -1.576 7.915 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 9 -1.440 10.296 -2.367 1.00 0.00 H new ATOM 0 HG22 THR A 9 -1.824 11.719 -1.369 1.00 0.00 H new ATOM 0 HG23 THR A 9 -0.257 10.897 -1.181 1.00 0.00 H new ATOM 94 N SER A 10 -3.427 9.026 2.181 1.00 0.00 N ATOM 95 CA SER A 10 -3.923 8.084 3.170 1.00 0.00 C ATOM 96 C SER A 10 -3.365 6.688 2.889 1.00 0.00 C ATOM 97 O SER A 10 -3.400 6.218 1.753 1.00 0.00 O ATOM 98 CB SER A 10 -5.453 8.052 3.180 1.00 0.00 C ATOM 99 OG SER A 10 -5.976 7.987 4.504 1.00 0.00 O ATOM 0 H SER A 10 -4.121 9.334 1.500 1.00 0.00 H new ATOM 0 HA SER A 10 -3.586 8.411 4.154 1.00 0.00 H new ATOM 0 HB2 SER A 10 -5.838 8.942 2.681 1.00 0.00 H new ATOM 0 HB3 SER A 10 -5.802 7.191 2.610 1.00 0.00 H new ATOM 0 HG SER A 10 -6.955 7.970 4.468 1.00 0.00 H new ATOM 105 N ALA A 11 -2.861 6.063 3.944 1.00 0.00 N ATOM 106 CA ALA A 11 -2.296 4.730 3.825 1.00 0.00 C ATOM 107 C ALA A 11 -3.233 3.856 2.988 1.00 0.00 C ATOM 108 O ALA A 11 -4.408 4.181 2.822 1.00 0.00 O ATOM 109 CB ALA A 11 -2.052 4.153 5.220 1.00 0.00 C ATOM 0 H ALA A 11 -2.833 6.456 4.885 1.00 0.00 H new ATOM 0 HA ALA A 11 -1.334 4.765 3.314 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -1.628 3.153 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.358 4.794 5.763 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.996 4.100 5.762 1.00 0.00 H new ATOM 115 N PRO A 12 -2.663 2.736 2.469 1.00 0.00 N ATOM 116 CA PRO A 12 -3.434 1.813 1.654 1.00 0.00 C ATOM 117 C PRO A 12 -4.378 0.975 2.518 1.00 0.00 C ATOM 118 O PRO A 12 -4.157 0.824 3.719 1.00 0.00 O ATOM 119 CB PRO A 12 -2.399 0.975 0.921 1.00 0.00 C ATOM 120 CG PRO A 12 -1.102 1.143 1.697 1.00 0.00 C ATOM 121 CD PRO A 12 -1.275 2.319 2.644 1.00 0.00 C ATOM 0 HA PRO A 12 -4.088 2.323 0.946 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -2.699 -0.072 0.884 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.284 1.310 -0.110 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.870 0.235 2.254 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -0.270 1.321 1.016 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.076 2.029 3.676 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -0.585 3.127 2.401 1.00 0.00 H new ATOM 129 N GLN A 13 -5.411 0.451 1.874 1.00 0.00 N ATOM 130 CA GLN A 13 -6.389 -0.368 2.569 1.00 0.00 C ATOM 131 C GLN A 13 -6.910 -1.471 1.645 1.00 0.00 C ATOM 132 O GLN A 13 -6.675 -1.437 0.438 1.00 0.00 O ATOM 133 CB GLN A 13 -7.539 0.487 3.104 1.00 0.00 C ATOM 134 CG GLN A 13 -7.743 1.734 2.242 1.00 0.00 C ATOM 135 CD GLN A 13 -9.177 2.254 2.359 1.00 0.00 C ATOM 136 OE1 GLN A 13 -9.990 1.744 3.113 1.00 0.00 O ATOM 137 NE2 GLN A 13 -9.441 3.294 1.573 1.00 0.00 N ATOM 0 H GLN A 13 -5.592 0.578 0.878 1.00 0.00 H new ATOM 0 HA GLN A 13 -5.900 -0.837 3.423 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.456 -0.101 3.121 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.330 0.782 4.132 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.044 2.512 2.550 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.521 1.501 1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -8.714 3.672 0.966 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.371 3.714 1.578 1.00 0.00 H new ATOM 146 N HIS A 14 -7.607 -2.424 2.248 1.00 0.00 N ATOM 147 CA HIS A 14 -8.162 -3.535 1.494 1.00 0.00 C ATOM 148 C HIS A 14 -7.027 -4.372 0.902 1.00 0.00 C ATOM 149 O HIS A 14 -7.158 -4.915 -0.194 1.00 0.00 O ATOM 150 CB HIS A 14 -9.145 -3.035 0.434 1.00 0.00 C ATOM 151 CG HIS A 14 -10.457 -2.541 0.997 1.00 0.00 C ATOM 152 ND1 HIS A 14 -11.565 -3.358 1.143 1.00 0.00 N ATOM 153 CD2 HIS A 14 -10.826 -1.308 1.447 1.00 0.00 C ATOM 154 CE1 HIS A 14 -12.550 -2.638 1.659 1.00 0.00 C ATOM 155 NE2 HIS A 14 -12.091 -1.368 1.846 1.00 0.00 N ATOM 0 H HIS A 14 -7.800 -2.449 3.249 1.00 0.00 H new ATOM 0 HA HIS A 14 -8.734 -4.181 2.160 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -8.676 -2.228 -0.129 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.345 -3.842 -0.271 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -10.196 -0.431 1.474 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -13.543 -2.995 1.891 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -12.630 -0.592 2.229 1.00 0.00 H new ATOM 163 N LEU A 15 -5.939 -4.451 1.654 1.00 0.00 N ATOM 164 CA LEU A 15 -4.782 -5.213 1.217 1.00 0.00 C ATOM 165 C LEU A 15 -4.878 -6.638 1.766 1.00 0.00 C ATOM 166 O LEU A 15 -4.745 -6.854 2.970 1.00 0.00 O ATOM 167 CB LEU A 15 -3.488 -4.492 1.603 1.00 0.00 C ATOM 168 CG LEU A 15 -2.188 -5.238 1.299 1.00 0.00 C ATOM 169 CD1 LEU A 15 -1.769 -5.037 -0.159 1.00 0.00 C ATOM 170 CD2 LEU A 15 -1.081 -4.832 2.274 1.00 0.00 C ATOM 0 H LEU A 15 -5.834 -4.000 2.563 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.765 -5.290 0.130 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.462 -3.533 1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.520 -4.278 2.671 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.366 -6.304 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.842 -5.578 -0.349 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.551 -5.415 -0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.615 -3.975 -0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.168 -5.377 2.035 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.897 -3.761 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.389 -5.068 3.293 1.00 0.00 H new ATOM 182 N THR A 16 -5.109 -7.574 0.857 1.00 0.00 N ATOM 183 CA THR A 16 -5.225 -8.972 1.234 1.00 0.00 C ATOM 184 C THR A 16 -4.522 -9.862 0.207 1.00 0.00 C ATOM 185 O THR A 16 -4.106 -9.388 -0.849 1.00 0.00 O ATOM 186 CB THR A 16 -6.711 -9.295 1.403 1.00 0.00 C ATOM 187 OG1 THR A 16 -7.346 -8.556 0.363 1.00 0.00 O ATOM 188 CG2 THR A 16 -7.296 -8.707 2.688 1.00 0.00 C ATOM 0 H THR A 16 -5.219 -7.391 -0.140 1.00 0.00 H new ATOM 0 HA THR A 16 -4.726 -9.168 2.183 1.00 0.00 H new ATOM 0 HB THR A 16 -6.850 -10.376 1.403 1.00 0.00 H new ATOM 0 HG1 THR A 16 -8.313 -8.709 0.397 1.00 0.00 H new ATOM 0 HG21 THR A 16 -8.352 -8.966 2.758 1.00 0.00 H new ATOM 0 HG22 THR A 16 -6.765 -9.113 3.549 1.00 0.00 H new ATOM 0 HG23 THR A 16 -7.188 -7.622 2.674 1.00 0.00 H new ATOM 196 N VAL A 17 -4.412 -11.137 0.553 1.00 0.00 N ATOM 197 CA VAL A 17 -3.767 -12.097 -0.326 1.00 0.00 C ATOM 198 C VAL A 17 -4.819 -12.737 -1.235 1.00 0.00 C ATOM 199 O VAL A 17 -5.677 -13.484 -0.767 1.00 0.00 O ATOM 200 CB VAL A 17 -2.988 -13.122 0.500 1.00 0.00 C ATOM 201 CG1 VAL A 17 -2.530 -14.294 -0.370 1.00 0.00 C ATOM 202 CG2 VAL A 17 -1.799 -12.467 1.207 1.00 0.00 C ATOM 0 H VAL A 17 -4.759 -11.527 1.430 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.041 -11.599 -0.969 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.658 -13.514 1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.979 -15.008 0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.400 -14.785 -0.806 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.885 -13.925 -1.167 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.262 -13.218 1.787 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.128 -12.034 0.465 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.159 -11.683 1.873 1.00 0.00 H new ATOM 212 N GLU A 18 -4.718 -12.420 -2.517 1.00 0.00 N ATOM 213 CA GLU A 18 -5.650 -12.955 -3.496 1.00 0.00 C ATOM 214 C GLU A 18 -5.292 -14.404 -3.834 1.00 0.00 C ATOM 215 O GLU A 18 -6.128 -15.298 -3.714 1.00 0.00 O ATOM 216 CB GLU A 18 -5.679 -12.089 -4.756 1.00 0.00 C ATOM 217 CG GLU A 18 -6.239 -10.698 -4.453 1.00 0.00 C ATOM 218 CD GLU A 18 -7.579 -10.794 -3.722 1.00 0.00 C ATOM 219 OE1 GLU A 18 -8.330 -11.743 -4.035 1.00 0.00 O ATOM 220 OE2 GLU A 18 -7.823 -9.916 -2.866 1.00 0.00 O ATOM 0 H GLU A 18 -4.005 -11.800 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 18 -6.650 -12.940 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -4.672 -11.999 -5.163 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.289 -12.572 -5.519 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.528 -10.140 -3.844 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -6.367 -10.143 -5.382 1.00 0.00 H new ATOM 227 N ASP A 19 -4.048 -14.590 -4.249 1.00 0.00 N ATOM 228 CA ASP A 19 -3.568 -15.915 -4.606 1.00 0.00 C ATOM 229 C ASP A 19 -2.153 -16.105 -4.057 1.00 0.00 C ATOM 230 O ASP A 19 -1.504 -15.141 -3.654 1.00 0.00 O ATOM 231 CB ASP A 19 -3.514 -16.091 -6.125 1.00 0.00 C ATOM 232 CG ASP A 19 -3.435 -17.541 -6.605 1.00 0.00 C ATOM 233 OD1 ASP A 19 -4.249 -18.349 -6.107 1.00 0.00 O ATOM 234 OD2 ASP A 19 -2.563 -17.810 -7.460 1.00 0.00 O ATOM 0 H ASP A 19 -3.357 -13.846 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.255 -16.648 -4.183 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.399 -15.627 -6.561 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.649 -15.550 -6.508 1.00 0.00 H new ATOM 239 N VAL A 20 -1.715 -17.356 -4.058 1.00 0.00 N ATOM 240 CA VAL A 20 -0.389 -17.685 -3.564 1.00 0.00 C ATOM 241 C VAL A 20 0.184 -18.840 -4.387 1.00 0.00 C ATOM 242 O VAL A 20 -0.472 -19.865 -4.566 1.00 0.00 O ATOM 243 CB VAL A 20 -0.448 -17.990 -2.066 1.00 0.00 C ATOM 244 CG1 VAL A 20 0.774 -18.796 -1.622 1.00 0.00 C ATOM 245 CG2 VAL A 20 -0.584 -16.703 -1.250 1.00 0.00 C ATOM 0 H VAL A 20 -2.255 -18.154 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 20 0.284 -16.836 -3.682 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.334 -18.598 -1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 20 0.707 -18.999 -0.553 1.00 0.00 H new ATOM 0 HG12 VAL A 20 0.807 -19.738 -2.169 1.00 0.00 H new ATOM 0 HG13 VAL A 20 1.680 -18.226 -1.827 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.624 -16.948 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 20 0.274 -16.058 -1.442 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.499 -16.185 -1.537 1.00 0.00 H new ATOM 255 N THR A 21 1.403 -18.636 -4.867 1.00 0.00 N ATOM 256 CA THR A 21 2.072 -19.648 -5.667 1.00 0.00 C ATOM 257 C THR A 21 3.173 -20.329 -4.853 1.00 0.00 C ATOM 258 O THR A 21 3.142 -20.311 -3.623 1.00 0.00 O ATOM 259 CB THR A 21 2.585 -18.978 -6.943 1.00 0.00 C ATOM 260 OG1 THR A 21 1.983 -17.686 -6.924 1.00 0.00 O ATOM 261 CG2 THR A 21 2.028 -19.629 -8.211 1.00 0.00 C ATOM 0 H THR A 21 1.944 -17.785 -4.717 1.00 0.00 H new ATOM 0 HA THR A 21 1.385 -20.444 -5.954 1.00 0.00 H new ATOM 0 HB THR A 21 3.674 -19.020 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 21 2.264 -17.183 -7.716 1.00 0.00 H new ATOM 0 HG21 THR A 21 2.423 -19.116 -9.087 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.323 -20.678 -8.241 1.00 0.00 H new ATOM 0 HG23 THR A 21 0.940 -19.558 -8.209 1.00 0.00 H new ATOM 269 N ASP A 22 4.121 -20.912 -5.571 1.00 0.00 N ATOM 270 CA ASP A 22 5.231 -21.597 -4.931 1.00 0.00 C ATOM 271 C ASP A 22 6.334 -20.586 -4.613 1.00 0.00 C ATOM 272 O ASP A 22 6.825 -20.531 -3.486 1.00 0.00 O ATOM 273 CB ASP A 22 5.822 -22.668 -5.851 1.00 0.00 C ATOM 274 CG ASP A 22 4.795 -23.470 -6.653 1.00 0.00 C ATOM 275 OD1 ASP A 22 4.457 -23.008 -7.764 1.00 0.00 O ATOM 276 OD2 ASP A 22 4.371 -24.526 -6.136 1.00 0.00 O ATOM 0 H ASP A 22 4.143 -20.924 -6.591 1.00 0.00 H new ATOM 0 HA ASP A 22 4.857 -22.069 -4.022 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.510 -22.188 -6.547 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.410 -23.360 -5.248 1.00 0.00 H new ATOM 281 N THR A 23 6.692 -19.810 -5.626 1.00 0.00 N ATOM 282 CA THR A 23 7.728 -18.804 -5.468 1.00 0.00 C ATOM 283 C THR A 23 7.200 -17.426 -5.873 1.00 0.00 C ATOM 284 O THR A 23 7.978 -16.520 -6.166 1.00 0.00 O ATOM 285 CB THR A 23 8.947 -19.250 -6.278 1.00 0.00 C ATOM 286 OG1 THR A 23 8.398 -19.691 -7.517 1.00 0.00 O ATOM 287 CG2 THR A 23 9.611 -20.500 -5.697 1.00 0.00 C ATOM 0 H THR A 23 6.283 -19.858 -6.559 1.00 0.00 H new ATOM 0 HA THR A 23 8.030 -18.708 -4.425 1.00 0.00 H new ATOM 0 HB THR A 23 9.674 -18.439 -6.317 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.120 -19.996 -8.105 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.470 -20.774 -6.309 1.00 0.00 H new ATOM 0 HG22 THR A 23 9.941 -20.296 -4.678 1.00 0.00 H new ATOM 0 HG23 THR A 23 8.895 -21.322 -5.689 1.00 0.00 H new ATOM 295 N THR A 24 5.880 -17.312 -5.878 1.00 0.00 N ATOM 296 CA THR A 24 5.238 -16.061 -6.243 1.00 0.00 C ATOM 297 C THR A 24 3.942 -15.876 -5.452 1.00 0.00 C ATOM 298 O THR A 24 3.287 -16.852 -5.089 1.00 0.00 O ATOM 299 CB THR A 24 5.030 -16.060 -7.759 1.00 0.00 C ATOM 300 OG1 THR A 24 4.745 -17.421 -8.071 1.00 0.00 O ATOM 301 CG2 THR A 24 6.320 -15.764 -8.526 1.00 0.00 C ATOM 0 H THR A 24 5.237 -18.066 -5.635 1.00 0.00 H new ATOM 0 HA THR A 24 5.864 -15.206 -5.986 1.00 0.00 H new ATOM 0 HB THR A 24 4.274 -15.320 -8.021 1.00 0.00 H new ATOM 0 HG1 THR A 24 4.595 -17.511 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 24 6.117 -15.775 -9.597 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.697 -14.783 -8.238 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.066 -16.523 -8.290 1.00 0.00 H new ATOM 309 N THR A 25 3.610 -14.616 -5.207 1.00 0.00 N ATOM 310 CA THR A 25 2.404 -14.291 -4.466 1.00 0.00 C ATOM 311 C THR A 25 1.702 -13.084 -5.092 1.00 0.00 C ATOM 312 O THR A 25 2.337 -12.271 -5.761 1.00 0.00 O ATOM 313 CB THR A 25 2.792 -14.076 -3.002 1.00 0.00 C ATOM 314 OG1 THR A 25 3.367 -15.319 -2.608 1.00 0.00 O ATOM 315 CG2 THR A 25 1.574 -13.923 -2.089 1.00 0.00 C ATOM 0 H THR A 25 4.156 -13.809 -5.509 1.00 0.00 H new ATOM 0 HA THR A 25 1.682 -15.106 -4.510 1.00 0.00 H new ATOM 0 HB THR A 25 3.420 -13.189 -2.921 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.666 -16.002 -2.557 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.906 -13.773 -1.062 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.985 -13.064 -2.409 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.962 -14.823 -2.145 1.00 0.00 H new ATOM 323 N THR A 26 0.401 -13.006 -4.852 1.00 0.00 N ATOM 324 CA THR A 26 -0.393 -11.912 -5.384 1.00 0.00 C ATOM 325 C THR A 26 -0.939 -11.046 -4.246 1.00 0.00 C ATOM 326 O THR A 26 -1.257 -11.555 -3.172 1.00 0.00 O ATOM 327 CB THR A 26 -1.488 -12.510 -6.270 1.00 0.00 C ATOM 328 OG1 THR A 26 -0.770 -13.166 -7.312 1.00 0.00 O ATOM 329 CG2 THR A 26 -2.303 -11.438 -6.997 1.00 0.00 C ATOM 0 H THR A 26 -0.123 -13.682 -4.296 1.00 0.00 H new ATOM 0 HA THR A 26 0.214 -11.245 -5.996 1.00 0.00 H new ATOM 0 HB THR A 26 -2.154 -13.122 -5.662 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.403 -13.584 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 26 -3.066 -11.916 -7.612 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.781 -10.786 -6.266 1.00 0.00 H new ATOM 0 HG23 THR A 26 -1.643 -10.847 -7.632 1.00 0.00 H new ATOM 337 N LEU A 27 -1.029 -9.753 -4.520 1.00 0.00 N ATOM 338 CA LEU A 27 -1.530 -8.812 -3.533 1.00 0.00 C ATOM 339 C LEU A 27 -2.492 -7.834 -4.210 1.00 0.00 C ATOM 340 O LEU A 27 -2.260 -7.412 -5.342 1.00 0.00 O ATOM 341 CB LEU A 27 -0.370 -8.129 -2.806 1.00 0.00 C ATOM 342 CG LEU A 27 0.533 -9.045 -1.976 1.00 0.00 C ATOM 343 CD1 LEU A 27 1.849 -8.347 -1.628 1.00 0.00 C ATOM 344 CD2 LEU A 27 -0.196 -9.549 -0.729 1.00 0.00 C ATOM 0 H LEU A 27 -0.763 -9.335 -5.412 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.096 -9.334 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.246 -7.618 -3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.780 -7.363 -2.148 1.00 0.00 H new ATOM 0 HG LEU A 27 0.781 -9.919 -2.579 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.472 -9.019 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.372 -8.079 -2.546 1.00 0.00 H new ATOM 0 HD13 LEU A 27 1.641 -7.445 -1.052 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.467 -10.198 -0.157 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.493 -8.700 -0.113 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -1.082 -10.109 -1.027 1.00 0.00 H new ATOM 356 N LYS A 28 -3.552 -7.501 -3.488 1.00 0.00 N ATOM 357 CA LYS A 28 -4.551 -6.580 -4.005 1.00 0.00 C ATOM 358 C LYS A 28 -4.968 -5.612 -2.896 1.00 0.00 C ATOM 359 O LYS A 28 -5.425 -6.037 -1.836 1.00 0.00 O ATOM 360 CB LYS A 28 -5.721 -7.349 -4.622 1.00 0.00 C ATOM 361 CG LYS A 28 -6.158 -6.715 -5.944 1.00 0.00 C ATOM 362 CD LYS A 28 -7.630 -7.014 -6.235 1.00 0.00 C ATOM 363 CE LYS A 28 -8.116 -6.232 -7.457 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.231 -5.332 -7.086 1.00 0.00 N ATOM 0 H LYS A 28 -3.741 -7.852 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.133 -5.979 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.431 -8.386 -4.790 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.560 -7.362 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -6.003 -5.637 -5.903 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.538 -7.095 -6.756 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.761 -8.082 -6.407 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.236 -6.754 -5.367 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.294 -5.650 -7.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.442 -6.924 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -9.549 -4.809 -7.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.020 -5.894 -6.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -8.908 -4.660 -6.361 1.00 0.00 H new ATOM 378 N TRP A 29 -4.795 -4.329 -3.178 1.00 0.00 N ATOM 379 CA TRP A 29 -5.147 -3.297 -2.218 1.00 0.00 C ATOM 380 C TRP A 29 -6.043 -2.279 -2.925 1.00 0.00 C ATOM 381 O TRP A 29 -6.332 -2.420 -4.113 1.00 0.00 O ATOM 382 CB TRP A 29 -3.895 -2.668 -1.605 1.00 0.00 C ATOM 383 CG TRP A 29 -3.094 -1.801 -2.578 1.00 0.00 C ATOM 384 CD1 TRP A 29 -3.408 -0.588 -3.054 1.00 0.00 C ATOM 385 CD2 TRP A 29 -1.824 -2.132 -3.179 1.00 0.00 C ATOM 386 NE1 TRP A 29 -2.438 -0.115 -3.914 1.00 0.00 N ATOM 387 CE2 TRP A 29 -1.444 -1.084 -3.992 1.00 0.00 C ATOM 388 CE3 TRP A 29 -1.022 -3.279 -3.040 1.00 0.00 C ATOM 389 CZ2 TRP A 29 -0.254 -1.078 -4.730 1.00 0.00 C ATOM 390 CZ3 TRP A 29 0.164 -3.257 -3.783 1.00 0.00 C ATOM 391 CH2 TRP A 29 0.560 -2.210 -4.607 1.00 0.00 C ATOM 0 H TRP A 29 -4.415 -3.981 -4.058 1.00 0.00 H new ATOM 0 HA TRP A 29 -5.698 -3.722 -1.380 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -4.188 -2.060 -0.749 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -3.251 -3.461 -1.226 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -4.307 -0.048 -2.797 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -2.448 0.780 -4.402 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -1.299 -4.111 -2.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 0.021 -0.245 -5.360 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.817 -4.114 -3.711 1.00 0.00 H new ATOM 0 HH2 TRP A 29 1.492 -2.270 -5.150 1.00 0.00 H new ATOM 402 N ARG A 30 -6.458 -1.275 -2.167 1.00 0.00 N ATOM 403 CA ARG A 30 -7.315 -0.233 -2.707 1.00 0.00 C ATOM 404 C ARG A 30 -6.669 1.140 -2.510 1.00 0.00 C ATOM 405 O ARG A 30 -5.860 1.325 -1.603 1.00 0.00 O ATOM 406 CB ARG A 30 -8.688 -0.245 -2.032 1.00 0.00 C ATOM 407 CG ARG A 30 -9.552 -1.388 -2.567 1.00 0.00 C ATOM 408 CD ARG A 30 -11.041 -1.065 -2.420 1.00 0.00 C ATOM 409 NE ARG A 30 -11.851 -2.268 -2.713 1.00 0.00 N ATOM 410 CZ ARG A 30 -13.131 -2.234 -3.106 1.00 0.00 C ATOM 411 NH1 ARG A 30 -13.755 -1.057 -3.256 1.00 0.00 N ATOM 412 NH2 ARG A 30 -13.788 -3.376 -3.350 1.00 0.00 N ATOM 0 H ARG A 30 -6.217 -1.161 -1.183 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.445 -0.428 -3.772 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -8.566 -0.350 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -9.190 0.707 -2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -9.317 -1.566 -3.616 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -9.321 -2.307 -2.028 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.247 -0.715 -1.409 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -11.315 -0.258 -3.099 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.407 -3.180 -2.609 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.255 -0.187 -3.071 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.730 -1.031 -3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.313 -4.272 -3.236 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -14.763 -3.350 -3.649 1.00 0.00 H new ATOM 426 N PRO A 31 -7.061 2.092 -3.399 1.00 0.00 N ATOM 427 CA PRO A 31 -6.529 3.442 -3.332 1.00 0.00 C ATOM 428 C PRO A 31 -7.153 4.220 -2.171 1.00 0.00 C ATOM 429 O PRO A 31 -8.209 3.846 -1.665 1.00 0.00 O ATOM 430 CB PRO A 31 -6.837 4.054 -4.690 1.00 0.00 C ATOM 431 CG PRO A 31 -7.931 3.191 -5.297 1.00 0.00 C ATOM 432 CD PRO A 31 -8.017 1.908 -4.487 1.00 0.00 C ATOM 0 HA PRO A 31 -5.457 3.463 -3.134 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -7.167 5.088 -4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.950 4.064 -5.324 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -8.885 3.717 -5.281 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -7.707 2.969 -6.340 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -9.025 1.747 -4.105 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -7.764 1.039 -5.094 1.00 0.00 H new ATOM 440 N PRO A 32 -6.454 5.317 -1.773 1.00 0.00 N ATOM 441 CA PRO A 32 -6.928 6.150 -0.682 1.00 0.00 C ATOM 442 C PRO A 32 -8.105 7.020 -1.127 1.00 0.00 C ATOM 443 O PRO A 32 -8.447 7.050 -2.308 1.00 0.00 O ATOM 444 CB PRO A 32 -5.717 6.964 -0.254 1.00 0.00 C ATOM 445 CG PRO A 32 -4.738 6.897 -1.416 1.00 0.00 C ATOM 446 CD PRO A 32 -5.199 5.790 -2.350 1.00 0.00 C ATOM 0 HA PRO A 32 -7.316 5.567 0.154 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -5.996 7.995 -0.037 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -5.274 6.556 0.654 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -4.704 7.851 -1.942 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -3.729 6.696 -1.054 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.345 6.163 -3.364 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -4.463 4.988 -2.408 1.00 0.00 H new ATOM 454 N ASP A 33 -8.693 7.706 -0.158 1.00 0.00 N ATOM 455 CA ASP A 33 -9.825 8.573 -0.435 1.00 0.00 C ATOM 456 C ASP A 33 -9.379 10.034 -0.336 1.00 0.00 C ATOM 457 O ASP A 33 -9.883 10.891 -1.060 1.00 0.00 O ATOM 458 CB ASP A 33 -10.949 8.353 0.579 1.00 0.00 C ATOM 459 CG ASP A 33 -12.257 9.081 0.263 1.00 0.00 C ATOM 460 OD1 ASP A 33 -12.620 9.103 -0.933 1.00 0.00 O ATOM 461 OD2 ASP A 33 -12.865 9.599 1.224 1.00 0.00 O ATOM 0 H ASP A 33 -8.406 7.679 0.820 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.191 8.340 -1.435 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -11.153 7.284 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -10.600 8.674 1.561 1.00 0.00 H new ATOM 466 N ARG A 34 -8.438 10.272 0.566 1.00 0.00 N ATOM 467 CA ARG A 34 -7.919 11.614 0.769 1.00 0.00 C ATOM 468 C ARG A 34 -6.627 11.809 -0.027 1.00 0.00 C ATOM 469 O ARG A 34 -5.532 11.704 0.524 1.00 0.00 O ATOM 470 CB ARG A 34 -7.643 11.879 2.250 1.00 0.00 C ATOM 471 CG ARG A 34 -8.839 12.559 2.918 1.00 0.00 C ATOM 472 CD ARG A 34 -10.028 11.602 3.018 1.00 0.00 C ATOM 473 NE ARG A 34 -11.167 12.276 3.681 1.00 0.00 N ATOM 474 CZ ARG A 34 -12.000 13.125 3.064 1.00 0.00 C ATOM 475 NH1 ARG A 34 -11.827 13.408 1.766 1.00 0.00 N ATOM 476 NH2 ARG A 34 -13.006 13.690 3.745 1.00 0.00 N ATOM 0 H ARG A 34 -8.022 9.558 1.164 1.00 0.00 H new ATOM 0 HA ARG A 34 -8.674 12.318 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.425 10.939 2.757 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -6.759 12.508 2.352 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.558 12.901 3.914 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -9.125 13.442 2.347 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.322 11.269 2.023 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -9.743 10.713 3.581 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.328 12.082 4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -11.061 12.977 1.248 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -12.461 14.054 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -13.138 13.474 4.733 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -13.640 14.336 3.275 1.00 0.00 H new ATOM 490 N ILE A 35 -6.797 12.088 -1.311 1.00 0.00 N ATOM 491 CA ILE A 35 -5.658 12.299 -2.188 1.00 0.00 C ATOM 492 C ILE A 35 -5.509 13.794 -2.474 1.00 0.00 C ATOM 493 O ILE A 35 -4.505 14.403 -2.107 1.00 0.00 O ATOM 494 CB ILE A 35 -5.787 11.442 -3.449 1.00 0.00 C ATOM 495 CG1 ILE A 35 -5.896 9.957 -3.094 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.636 11.716 -4.419 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.451 9.079 -4.265 1.00 0.00 C ATOM 0 H ILE A 35 -7.706 12.173 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.738 11.974 -1.702 1.00 0.00 H new ATOM 0 HB ILE A 35 -6.710 11.720 -3.958 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.281 9.742 -2.220 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.925 9.718 -2.826 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.752 11.094 -5.306 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.647 12.767 -4.709 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.688 11.483 -3.934 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.538 8.029 -3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.083 9.278 -5.130 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.414 9.303 -4.514 1.00 0.00 H new ATOM 509 N GLY A 36 -6.523 14.343 -3.126 1.00 0.00 N ATOM 510 CA GLY A 36 -6.518 15.756 -3.465 1.00 0.00 C ATOM 511 C GLY A 36 -5.548 16.041 -4.614 1.00 0.00 C ATOM 512 O GLY A 36 -5.318 15.182 -5.464 1.00 0.00 O ATOM 0 H GLY A 36 -7.354 13.835 -3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -7.523 16.070 -3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.234 16.342 -2.591 1.00 0.00 H new ATOM 516 N ALA A 37 -5.004 17.249 -4.602 1.00 0.00 N ATOM 517 CA ALA A 37 -4.064 17.658 -5.631 1.00 0.00 C ATOM 518 C ALA A 37 -2.746 16.905 -5.440 1.00 0.00 C ATOM 519 O ALA A 37 -2.400 16.526 -4.322 1.00 0.00 O ATOM 520 CB ALA A 37 -3.881 19.176 -5.582 1.00 0.00 C ATOM 0 H ALA A 37 -5.197 17.958 -3.895 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.446 17.408 -6.621 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.176 19.483 -6.354 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -4.841 19.664 -5.753 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -3.496 19.465 -4.604 1.00 0.00 H new ATOM 526 N GLY A 38 -2.047 16.710 -6.549 1.00 0.00 N ATOM 527 CA GLY A 38 -0.774 16.009 -6.517 1.00 0.00 C ATOM 528 C GLY A 38 -0.918 14.586 -7.062 1.00 0.00 C ATOM 529 O GLY A 38 -0.298 14.236 -8.065 1.00 0.00 O ATOM 0 H GLY A 38 -2.338 17.025 -7.475 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.039 16.556 -7.107 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.399 15.974 -5.494 1.00 0.00 H new ATOM 533 N GLY A 39 -1.740 13.805 -6.377 1.00 0.00 N ATOM 534 CA GLY A 39 -1.974 12.429 -6.780 1.00 0.00 C ATOM 535 C GLY A 39 -0.861 11.512 -6.269 1.00 0.00 C ATOM 536 O GLY A 39 0.296 11.920 -6.187 1.00 0.00 O ATOM 0 H GLY A 39 -2.252 14.099 -5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -2.935 12.091 -6.393 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.029 12.369 -7.867 1.00 0.00 H new ATOM 540 N ILE A 40 -1.250 10.289 -5.939 1.00 0.00 N ATOM 541 CA ILE A 40 -0.299 9.311 -5.438 1.00 0.00 C ATOM 542 C ILE A 40 0.570 8.812 -6.595 1.00 0.00 C ATOM 543 O ILE A 40 0.079 8.617 -7.706 1.00 0.00 O ATOM 544 CB ILE A 40 -1.026 8.192 -4.689 1.00 0.00 C ATOM 545 CG1 ILE A 40 -0.030 7.249 -4.012 1.00 0.00 C ATOM 546 CG2 ILE A 40 -1.985 7.443 -5.617 1.00 0.00 C ATOM 547 CD1 ILE A 40 -0.686 6.504 -2.847 1.00 0.00 C ATOM 0 H ILE A 40 -2.211 9.953 -6.009 1.00 0.00 H new ATOM 0 HA ILE A 40 0.370 9.769 -4.710 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.629 8.644 -3.901 1.00 0.00 H new ATOM 0 HG12 ILE A 40 0.350 6.532 -4.740 1.00 0.00 H new ATOM 0 HG13 ILE A 40 0.826 7.818 -3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.488 6.653 -5.059 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.726 8.138 -6.012 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.424 7.004 -6.442 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.043 5.840 -2.383 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.043 7.223 -2.110 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.526 5.917 -3.218 1.00 0.00 H new ATOM 559 N ASP A 41 1.846 8.620 -6.294 1.00 0.00 N ATOM 560 CA ASP A 41 2.787 8.148 -7.294 1.00 0.00 C ATOM 561 C ASP A 41 2.595 6.644 -7.501 1.00 0.00 C ATOM 562 O ASP A 41 2.575 6.167 -8.634 1.00 0.00 O ATOM 563 CB ASP A 41 4.231 8.382 -6.846 1.00 0.00 C ATOM 564 CG ASP A 41 5.108 9.129 -7.853 1.00 0.00 C ATOM 565 OD1 ASP A 41 4.900 8.902 -9.064 1.00 0.00 O ATOM 566 OD2 ASP A 41 5.967 9.910 -7.388 1.00 0.00 O ATOM 0 H ASP A 41 2.250 8.783 -5.372 1.00 0.00 H new ATOM 0 HA ASP A 41 2.601 8.698 -8.216 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.219 8.943 -5.911 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.690 7.417 -6.633 1.00 0.00 H new ATOM 571 N GLY A 42 2.458 5.939 -6.387 1.00 0.00 N ATOM 572 CA GLY A 42 2.268 4.499 -6.432 1.00 0.00 C ATOM 573 C GLY A 42 2.315 3.896 -5.026 1.00 0.00 C ATOM 574 O GLY A 42 1.816 4.494 -4.073 1.00 0.00 O ATOM 0 H GLY A 42 2.475 6.338 -5.448 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.310 4.269 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.041 4.046 -7.052 1.00 0.00 H new ATOM 578 N TYR A 43 2.920 2.720 -4.942 1.00 0.00 N ATOM 579 CA TYR A 43 3.039 2.030 -3.668 1.00 0.00 C ATOM 580 C TYR A 43 4.313 1.185 -3.620 1.00 0.00 C ATOM 581 O TYR A 43 4.708 0.593 -4.623 1.00 0.00 O ATOM 582 CB TYR A 43 1.824 1.105 -3.575 1.00 0.00 C ATOM 583 CG TYR A 43 0.555 1.793 -3.066 1.00 0.00 C ATOM 584 CD1 TYR A 43 0.415 2.073 -1.722 1.00 0.00 C ATOM 585 CD2 TYR A 43 -0.448 2.133 -3.950 1.00 0.00 C ATOM 586 CE1 TYR A 43 -0.779 2.721 -1.242 1.00 0.00 C ATOM 587 CE2 TYR A 43 -1.641 2.780 -3.471 1.00 0.00 C ATOM 588 CZ TYR A 43 -1.748 3.042 -2.140 1.00 0.00 C ATOM 589 OH TYR A 43 -2.875 3.654 -1.687 1.00 0.00 O ATOM 0 H TYR A 43 3.333 2.228 -5.734 1.00 0.00 H new ATOM 0 HA TYR A 43 3.084 2.745 -2.846 1.00 0.00 H new ATOM 0 HB2 TYR A 43 1.626 0.683 -4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.064 0.273 -2.914 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.200 1.806 -1.030 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -0.338 1.914 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.901 2.947 -0.193 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -2.434 3.051 -4.153 1.00 0.00 H new ATOM 0 HH TYR A 43 -2.660 4.193 -0.897 1.00 0.00 H new ATOM 599 N LEU A 44 4.921 1.155 -2.443 1.00 0.00 N ATOM 600 CA LEU A 44 6.142 0.392 -2.251 1.00 0.00 C ATOM 601 C LEU A 44 5.825 -0.880 -1.462 1.00 0.00 C ATOM 602 O LEU A 44 5.414 -0.811 -0.305 1.00 0.00 O ATOM 603 CB LEU A 44 7.222 1.263 -1.605 1.00 0.00 C ATOM 604 CG LEU A 44 8.204 1.936 -2.566 1.00 0.00 C ATOM 605 CD1 LEU A 44 9.177 2.842 -1.809 1.00 0.00 C ATOM 606 CD2 LEU A 44 8.934 0.898 -3.420 1.00 0.00 C ATOM 0 H LEU A 44 4.590 1.647 -1.613 1.00 0.00 H new ATOM 0 HA LEU A 44 6.550 0.078 -3.212 1.00 0.00 H new ATOM 0 HB2 LEU A 44 6.732 2.038 -1.016 1.00 0.00 H new ATOM 0 HB3 LEU A 44 7.790 0.646 -0.909 1.00 0.00 H new ATOM 0 HG LEU A 44 7.636 2.570 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 44 9.864 3.308 -2.515 1.00 0.00 H new ATOM 0 HD12 LEU A 44 8.619 3.615 -1.282 1.00 0.00 H new ATOM 0 HD13 LEU A 44 9.742 2.249 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 44 9.626 1.403 -4.094 1.00 0.00 H new ATOM 0 HD22 LEU A 44 9.489 0.219 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 44 8.208 0.331 -4.003 1.00 0.00 H new ATOM 618 N VAL A 45 6.028 -2.012 -2.119 1.00 0.00 N ATOM 619 CA VAL A 45 5.769 -3.298 -1.494 1.00 0.00 C ATOM 620 C VAL A 45 7.078 -3.863 -0.938 1.00 0.00 C ATOM 621 O VAL A 45 8.059 -3.998 -1.668 1.00 0.00 O ATOM 622 CB VAL A 45 5.088 -4.237 -2.491 1.00 0.00 C ATOM 623 CG1 VAL A 45 4.423 -5.412 -1.772 1.00 0.00 C ATOM 624 CG2 VAL A 45 4.078 -3.480 -3.355 1.00 0.00 C ATOM 0 H VAL A 45 6.369 -2.066 -3.079 1.00 0.00 H new ATOM 0 HA VAL A 45 5.082 -3.183 -0.655 1.00 0.00 H new ATOM 0 HB VAL A 45 5.857 -4.640 -3.150 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.946 -6.064 -2.504 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.176 -5.975 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.672 -5.036 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.608 -4.171 -4.055 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.315 -3.035 -2.717 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.591 -2.694 -3.910 1.00 0.00 H new ATOM 634 N GLU A 46 7.051 -4.177 0.349 1.00 0.00 N ATOM 635 CA GLU A 46 8.223 -4.724 1.011 1.00 0.00 C ATOM 636 C GLU A 46 7.827 -5.904 1.900 1.00 0.00 C ATOM 637 O GLU A 46 6.824 -5.843 2.609 1.00 0.00 O ATOM 638 CB GLU A 46 8.948 -3.647 1.820 1.00 0.00 C ATOM 639 CG GLU A 46 9.346 -2.468 0.930 1.00 0.00 C ATOM 640 CD GLU A 46 9.379 -1.164 1.729 1.00 0.00 C ATOM 641 OE1 GLU A 46 10.320 -1.018 2.539 1.00 0.00 O ATOM 642 OE2 GLU A 46 8.462 -0.342 1.513 1.00 0.00 O ATOM 0 H GLU A 46 6.236 -4.063 0.951 1.00 0.00 H new ATOM 0 HA GLU A 46 8.913 -5.084 0.248 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.303 -3.297 2.626 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.837 -4.073 2.285 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.326 -2.654 0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.639 -2.376 0.105 1.00 0.00 H new ATOM 649 N TYR A 47 8.636 -6.951 1.834 1.00 0.00 N ATOM 650 CA TYR A 47 8.384 -8.144 2.624 1.00 0.00 C ATOM 651 C TYR A 47 9.543 -8.423 3.583 1.00 0.00 C ATOM 652 O TYR A 47 10.699 -8.149 3.261 1.00 0.00 O ATOM 653 CB TYR A 47 8.275 -9.297 1.625 1.00 0.00 C ATOM 654 CG TYR A 47 9.545 -9.530 0.804 1.00 0.00 C ATOM 655 CD1 TYR A 47 9.834 -8.710 -0.267 1.00 0.00 C ATOM 656 CD2 TYR A 47 10.401 -10.561 1.134 1.00 0.00 C ATOM 657 CE1 TYR A 47 11.030 -8.929 -1.040 1.00 0.00 C ATOM 658 CE2 TYR A 47 11.596 -10.781 0.361 1.00 0.00 C ATOM 659 CZ TYR A 47 11.851 -9.954 -0.688 1.00 0.00 C ATOM 660 OH TYR A 47 12.980 -10.161 -1.418 1.00 0.00 O ATOM 0 H TYR A 47 9.467 -6.998 1.245 1.00 0.00 H new ATOM 0 HA TYR A 47 7.481 -8.023 3.223 1.00 0.00 H new ATOM 0 HB2 TYR A 47 8.031 -10.211 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.446 -9.098 0.945 1.00 0.00 H new ATOM 0 HD1 TYR A 47 9.164 -7.904 -0.526 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.175 -11.203 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 47 11.269 -8.293 -1.880 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.274 -11.584 0.609 1.00 0.00 H new ATOM 0 HH TYR A 47 13.471 -10.926 -1.052 1.00 0.00 H new ATOM 670 N CYS A 48 9.195 -8.963 4.741 1.00 0.00 N ATOM 671 CA CYS A 48 10.192 -9.282 5.748 1.00 0.00 C ATOM 672 C CYS A 48 10.078 -10.770 6.083 1.00 0.00 C ATOM 673 O CYS A 48 9.052 -11.219 6.590 1.00 0.00 O ATOM 674 CB CYS A 48 10.041 -8.404 6.992 1.00 0.00 C ATOM 675 SG CYS A 48 11.296 -8.866 8.241 1.00 0.00 S ATOM 0 H CYS A 48 8.236 -9.188 5.005 1.00 0.00 H new ATOM 0 HA CYS A 48 11.187 -9.074 5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.154 -7.354 6.722 1.00 0.00 H new ATOM 0 HB3 CYS A 48 9.041 -8.520 7.410 1.00 0.00 H new ATOM 0 HG CYS A 48 10.702 -9.244 9.334 1.00 0.00 H new ATOM 681 N LEU A 49 11.147 -11.495 5.786 1.00 0.00 N ATOM 682 CA LEU A 49 11.180 -12.923 6.050 1.00 0.00 C ATOM 683 C LEU A 49 11.108 -13.161 7.559 1.00 0.00 C ATOM 684 O LEU A 49 11.764 -12.465 8.333 1.00 0.00 O ATOM 685 CB LEU A 49 12.400 -13.563 5.384 1.00 0.00 C ATOM 686 CG LEU A 49 12.375 -13.625 3.856 1.00 0.00 C ATOM 687 CD1 LEU A 49 13.711 -13.168 3.266 1.00 0.00 C ATOM 688 CD2 LEU A 49 11.983 -15.022 3.370 1.00 0.00 C ATOM 0 H LEU A 49 11.997 -11.120 5.365 1.00 0.00 H new ATOM 0 HA LEU A 49 10.311 -13.412 5.609 1.00 0.00 H new ATOM 0 HB2 LEU A 49 13.288 -13.010 5.691 1.00 0.00 H new ATOM 0 HB3 LEU A 49 12.508 -14.578 5.767 1.00 0.00 H new ATOM 0 HG LEU A 49 11.612 -12.933 3.499 1.00 0.00 H new ATOM 0 HD11 LEU A 49 13.666 -13.222 2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 49 13.911 -12.141 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 49 14.509 -13.816 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 49 11.973 -15.039 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 49 12.705 -15.751 3.737 1.00 0.00 H new ATOM 0 HD23 LEU A 49 10.991 -15.273 3.746 1.00 0.00 H new ATOM 700 N GLU A 50 10.305 -14.146 7.933 1.00 0.00 N ATOM 701 CA GLU A 50 10.138 -14.484 9.336 1.00 0.00 C ATOM 702 C GLU A 50 11.503 -14.604 10.019 1.00 0.00 C ATOM 703 O GLU A 50 12.377 -15.328 9.546 1.00 0.00 O ATOM 704 CB GLU A 50 9.330 -15.773 9.498 1.00 0.00 C ATOM 705 CG GLU A 50 8.320 -15.648 10.640 1.00 0.00 C ATOM 706 CD GLU A 50 8.968 -15.985 11.985 1.00 0.00 C ATOM 707 OE1 GLU A 50 8.985 -17.189 12.320 1.00 0.00 O ATOM 708 OE2 GLU A 50 9.432 -15.031 12.646 1.00 0.00 O ATOM 0 H GLU A 50 9.763 -14.721 7.288 1.00 0.00 H new ATOM 0 HA GLU A 50 9.580 -13.681 9.818 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.807 -15.998 8.568 1.00 0.00 H new ATOM 0 HB3 GLU A 50 10.004 -16.607 9.694 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.921 -14.634 10.668 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.478 -16.316 10.460 1.00 0.00 H new ATOM 715 N GLY A 51 11.642 -13.881 11.121 1.00 0.00 N ATOM 716 CA GLY A 51 12.885 -13.897 11.874 1.00 0.00 C ATOM 717 C GLY A 51 13.754 -12.688 11.522 1.00 0.00 C ATOM 718 O GLY A 51 14.522 -12.208 12.355 1.00 0.00 O ATOM 0 H GLY A 51 10.915 -13.281 11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.668 -13.895 12.942 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.431 -14.816 11.662 1.00 0.00 H new ATOM 722 N SER A 52 13.605 -12.231 10.287 1.00 0.00 N ATOM 723 CA SER A 52 14.367 -11.088 9.815 1.00 0.00 C ATOM 724 C SER A 52 13.714 -9.790 10.294 1.00 0.00 C ATOM 725 O SER A 52 12.520 -9.765 10.592 1.00 0.00 O ATOM 726 CB SER A 52 14.480 -11.093 8.290 1.00 0.00 C ATOM 727 OG SER A 52 15.101 -9.910 7.796 1.00 0.00 O ATOM 0 H SER A 52 12.968 -12.632 9.599 1.00 0.00 H new ATOM 0 HA SER A 52 15.374 -11.155 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.054 -11.963 7.972 1.00 0.00 H new ATOM 0 HB3 SER A 52 13.486 -11.190 7.853 1.00 0.00 H new ATOM 0 HG SER A 52 15.156 -9.953 6.818 1.00 0.00 H new ATOM 733 N GLU A 53 14.525 -8.744 10.354 1.00 0.00 N ATOM 734 CA GLU A 53 14.040 -7.446 10.792 1.00 0.00 C ATOM 735 C GLU A 53 14.245 -6.404 9.691 1.00 0.00 C ATOM 736 O GLU A 53 14.136 -5.204 9.939 1.00 0.00 O ATOM 737 CB GLU A 53 14.726 -7.014 12.090 1.00 0.00 C ATOM 738 CG GLU A 53 13.910 -5.939 12.810 1.00 0.00 C ATOM 739 CD GLU A 53 14.736 -5.268 13.909 1.00 0.00 C ATOM 740 OE1 GLU A 53 15.369 -6.019 14.682 1.00 0.00 O ATOM 741 OE2 GLU A 53 14.715 -4.019 13.952 1.00 0.00 O ATOM 0 H GLU A 53 15.514 -8.769 10.107 1.00 0.00 H new ATOM 0 HA GLU A 53 12.972 -7.528 10.994 1.00 0.00 H new ATOM 0 HB2 GLU A 53 14.853 -7.877 12.743 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.723 -6.632 11.869 1.00 0.00 H new ATOM 0 HG2 GLU A 53 13.576 -5.190 12.092 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.016 -6.386 13.244 1.00 0.00 H new ATOM 748 N GLU A 54 14.539 -6.900 8.498 1.00 0.00 N ATOM 749 CA GLU A 54 14.760 -6.026 7.358 1.00 0.00 C ATOM 750 C GLU A 54 13.711 -6.290 6.276 1.00 0.00 C ATOM 751 O GLU A 54 13.643 -7.388 5.727 1.00 0.00 O ATOM 752 CB GLU A 54 16.176 -6.198 6.803 1.00 0.00 C ATOM 753 CG GLU A 54 16.365 -5.381 5.523 1.00 0.00 C ATOM 754 CD GLU A 54 17.634 -4.529 5.599 1.00 0.00 C ATOM 755 OE1 GLU A 54 18.605 -5.012 6.220 1.00 0.00 O ATOM 756 OE2 GLU A 54 17.603 -3.414 5.035 1.00 0.00 O ATOM 0 H GLU A 54 14.629 -7.896 8.296 1.00 0.00 H new ATOM 0 HA GLU A 54 14.658 -4.993 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 54 16.904 -5.884 7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 54 16.365 -7.252 6.598 1.00 0.00 H new ATOM 0 HG2 GLU A 54 16.423 -6.051 4.665 1.00 0.00 H new ATOM 0 HG3 GLU A 54 15.499 -4.737 5.367 1.00 0.00 H new ATOM 763 N TRP A 55 12.919 -5.264 6.002 1.00 0.00 N ATOM 764 CA TRP A 55 11.877 -5.370 4.996 1.00 0.00 C ATOM 765 C TRP A 55 12.521 -5.163 3.624 1.00 0.00 C ATOM 766 O TRP A 55 12.999 -4.072 3.317 1.00 0.00 O ATOM 767 CB TRP A 55 10.740 -4.386 5.277 1.00 0.00 C ATOM 768 CG TRP A 55 9.937 -4.707 6.539 1.00 0.00 C ATOM 769 CD1 TRP A 55 10.250 -4.424 7.811 1.00 0.00 C ATOM 770 CD2 TRP A 55 8.666 -5.389 6.599 1.00 0.00 C ATOM 771 NE1 TRP A 55 9.278 -4.871 8.683 1.00 0.00 N ATOM 772 CE2 TRP A 55 8.284 -5.476 7.923 1.00 0.00 C ATOM 773 CE3 TRP A 55 7.865 -5.913 5.569 1.00 0.00 C ATOM 774 CZ2 TRP A 55 7.093 -6.083 8.338 1.00 0.00 C ATOM 775 CZ3 TRP A 55 6.678 -6.516 6.001 1.00 0.00 C ATOM 776 CH2 TRP A 55 6.279 -6.613 7.329 1.00 0.00 C ATOM 0 H TRP A 55 12.978 -4.354 6.460 1.00 0.00 H new ATOM 0 HA TRP A 55 11.418 -6.358 5.020 1.00 0.00 H new ATOM 0 HB2 TRP A 55 11.156 -3.383 5.369 1.00 0.00 H new ATOM 0 HB3 TRP A 55 10.064 -4.374 4.422 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.150 -3.911 8.116 1.00 0.00 H new ATOM 0 HE1 TRP A 55 9.287 -4.775 9.698 1.00 0.00 H new ATOM 0 HE3 TRP A 55 8.144 -5.855 4.527 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 6.817 -6.140 9.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 6.026 -6.936 5.249 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.346 -7.095 7.581 1.00 0.00 H new ATOM 787 N VAL A 56 12.513 -6.227 2.835 1.00 0.00 N ATOM 788 CA VAL A 56 13.091 -6.176 1.503 1.00 0.00 C ATOM 789 C VAL A 56 12.055 -5.619 0.523 1.00 0.00 C ATOM 790 O VAL A 56 10.869 -5.926 0.628 1.00 0.00 O ATOM 791 CB VAL A 56 13.609 -7.559 1.103 1.00 0.00 C ATOM 792 CG1 VAL A 56 14.190 -7.538 -0.312 1.00 0.00 C ATOM 793 CG2 VAL A 56 14.639 -8.071 2.112 1.00 0.00 C ATOM 0 H VAL A 56 12.115 -7.130 3.093 1.00 0.00 H new ATOM 0 HA VAL A 56 13.950 -5.505 1.485 1.00 0.00 H new ATOM 0 HB VAL A 56 12.765 -8.248 1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.551 -8.533 -0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.417 -7.237 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 56 15.017 -6.829 -0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 56 14.991 -9.056 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 56 15.482 -7.381 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 56 14.179 -8.142 3.098 1.00 0.00 H new ATOM 803 N PRO A 57 12.555 -4.789 -0.431 1.00 0.00 N ATOM 804 CA PRO A 57 11.686 -4.187 -1.428 1.00 0.00 C ATOM 805 C PRO A 57 11.273 -5.212 -2.486 1.00 0.00 C ATOM 806 O PRO A 57 12.109 -5.689 -3.253 1.00 0.00 O ATOM 807 CB PRO A 57 12.489 -3.031 -2.002 1.00 0.00 C ATOM 808 CG PRO A 57 13.939 -3.310 -1.642 1.00 0.00 C ATOM 809 CD PRO A 57 13.954 -4.403 -0.586 1.00 0.00 C ATOM 0 HA PRO A 57 10.745 -3.831 -1.007 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.361 -2.965 -3.082 1.00 0.00 H new ATOM 0 HB3 PRO A 57 12.159 -2.080 -1.583 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.498 -3.623 -2.524 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.419 -2.407 -1.264 1.00 0.00 H new ATOM 0 HD2 PRO A 57 14.565 -5.249 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 57 14.371 -4.040 0.353 1.00 0.00 H new ATOM 817 N ALA A 58 9.985 -5.520 -2.494 1.00 0.00 N ATOM 818 CA ALA A 58 9.451 -6.480 -3.446 1.00 0.00 C ATOM 819 C ALA A 58 9.564 -5.906 -4.860 1.00 0.00 C ATOM 820 O ALA A 58 9.992 -6.599 -5.782 1.00 0.00 O ATOM 821 CB ALA A 58 8.008 -6.824 -3.070 1.00 0.00 C ATOM 0 H ALA A 58 9.295 -5.122 -1.857 1.00 0.00 H new ATOM 0 HA ALA A 58 10.024 -7.407 -3.419 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.608 -7.544 -3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 58 7.986 -7.255 -2.069 1.00 0.00 H new ATOM 0 HB3 ALA A 58 7.401 -5.919 -3.089 1.00 0.00 H new ATOM 827 N ASN A 59 9.173 -4.647 -4.986 1.00 0.00 N ATOM 828 CA ASN A 59 9.225 -3.973 -6.272 1.00 0.00 C ATOM 829 C ASN A 59 10.125 -2.741 -6.161 1.00 0.00 C ATOM 830 O ASN A 59 9.795 -1.787 -5.458 1.00 0.00 O ATOM 831 CB ASN A 59 7.834 -3.504 -6.705 1.00 0.00 C ATOM 832 CG ASN A 59 7.130 -2.755 -5.571 1.00 0.00 C ATOM 833 OD1 ASN A 59 7.181 -3.138 -4.414 1.00 0.00 O ATOM 834 ND2 ASN A 59 6.473 -1.669 -5.967 1.00 0.00 N ATOM 0 H ASN A 59 8.819 -4.076 -4.219 1.00 0.00 H new ATOM 0 HA ASN A 59 9.613 -4.678 -7.007 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.920 -2.855 -7.576 1.00 0.00 H new ATOM 0 HB3 ASN A 59 7.234 -4.363 -7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 59 5.971 -1.100 -5.286 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.471 -1.405 -6.952 1.00 0.00 H new ATOM 841 N LYS A 60 11.246 -2.801 -6.866 1.00 0.00 N ATOM 842 CA LYS A 60 12.197 -1.703 -6.855 1.00 0.00 C ATOM 843 C LYS A 60 11.440 -0.378 -6.971 1.00 0.00 C ATOM 844 O LYS A 60 11.657 0.537 -6.178 1.00 0.00 O ATOM 845 CB LYS A 60 13.258 -1.902 -7.939 1.00 0.00 C ATOM 846 CG LYS A 60 14.653 -2.032 -7.323 1.00 0.00 C ATOM 847 CD LYS A 60 15.541 -2.948 -8.167 1.00 0.00 C ATOM 848 CE LYS A 60 16.949 -2.366 -8.310 1.00 0.00 C ATOM 849 NZ LYS A 60 17.416 -2.479 -9.710 1.00 0.00 N ATOM 0 H LYS A 60 11.516 -3.593 -7.449 1.00 0.00 H new ATOM 0 HA LYS A 60 12.741 -1.679 -5.911 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.028 -2.796 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 60 13.239 -1.060 -8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 60 15.112 -1.047 -7.243 1.00 0.00 H new ATOM 0 HG3 LYS A 60 14.572 -2.429 -6.311 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.596 -3.934 -7.705 1.00 0.00 H new ATOM 0 HD3 LYS A 60 15.097 -3.083 -9.153 1.00 0.00 H new ATOM 0 HE2 LYS A 60 16.950 -1.320 -8.003 1.00 0.00 H new ATOM 0 HE3 LYS A 60 17.636 -2.893 -7.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 18.373 -2.080 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 17.434 -3.480 -9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 16.769 -1.956 -10.335 1.00 0.00 H new ATOM 863 N GLU A 61 10.567 -0.317 -7.967 1.00 0.00 N ATOM 864 CA GLU A 61 9.777 0.880 -8.197 1.00 0.00 C ATOM 865 C GLU A 61 8.331 0.656 -7.751 1.00 0.00 C ATOM 866 O GLU A 61 7.837 -0.470 -7.779 1.00 0.00 O ATOM 867 CB GLU A 61 9.839 1.303 -9.666 1.00 0.00 C ATOM 868 CG GLU A 61 8.979 0.386 -10.538 1.00 0.00 C ATOM 869 CD GLU A 61 9.677 0.076 -11.863 1.00 0.00 C ATOM 870 OE1 GLU A 61 10.819 -0.427 -11.799 1.00 0.00 O ATOM 871 OE2 GLU A 61 9.052 0.349 -12.911 1.00 0.00 O ATOM 0 H GLU A 61 10.390 -1.077 -8.623 1.00 0.00 H new ATOM 0 HA GLU A 61 10.198 1.690 -7.601 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.496 2.333 -9.766 1.00 0.00 H new ATOM 0 HB3 GLU A 61 10.872 1.276 -10.012 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.775 -0.542 -10.005 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.017 0.860 -10.732 1.00 0.00 H new ATOM 878 N PRO A 62 7.676 1.775 -7.341 1.00 0.00 N ATOM 879 CA PRO A 62 6.296 1.712 -6.890 1.00 0.00 C ATOM 880 C PRO A 62 5.340 1.544 -8.072 1.00 0.00 C ATOM 881 O PRO A 62 5.329 2.366 -8.987 1.00 0.00 O ATOM 882 CB PRO A 62 6.073 3.005 -6.124 1.00 0.00 C ATOM 883 CG PRO A 62 7.180 3.948 -6.567 1.00 0.00 C ATOM 884 CD PRO A 62 8.230 3.125 -7.295 1.00 0.00 C ATOM 0 HA PRO A 62 6.100 0.849 -6.253 1.00 0.00 H new ATOM 0 HB2 PRO A 62 5.091 3.425 -6.344 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.113 2.834 -5.048 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.782 4.723 -7.221 1.00 0.00 H new ATOM 0 HG3 PRO A 62 7.619 4.452 -5.706 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.412 3.513 -8.297 1.00 0.00 H new ATOM 0 HD3 PRO A 62 9.184 3.144 -6.768 1.00 0.00 H new ATOM 892 N VAL A 63 4.561 0.474 -8.015 1.00 0.00 N ATOM 893 CA VAL A 63 3.604 0.188 -9.070 1.00 0.00 C ATOM 894 C VAL A 63 2.590 1.330 -9.156 1.00 0.00 C ATOM 895 O VAL A 63 2.596 2.234 -8.321 1.00 0.00 O ATOM 896 CB VAL A 63 2.951 -1.175 -8.829 1.00 0.00 C ATOM 897 CG1 VAL A 63 4.004 -2.282 -8.755 1.00 0.00 C ATOM 898 CG2 VAL A 63 2.088 -1.153 -7.566 1.00 0.00 C ATOM 0 H VAL A 63 4.573 -0.206 -7.254 1.00 0.00 H new ATOM 0 HA VAL A 63 4.107 0.126 -10.035 1.00 0.00 H new ATOM 0 HB VAL A 63 2.300 -1.389 -9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 63 3.513 -3.240 -8.583 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.558 -2.321 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.693 -2.075 -7.936 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.635 -2.133 -7.417 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.709 -0.906 -6.705 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.304 -0.404 -7.674 1.00 0.00 H new ATOM 908 N GLU A 64 1.743 1.252 -10.172 1.00 0.00 N ATOM 909 CA GLU A 64 0.725 2.268 -10.377 1.00 0.00 C ATOM 910 C GLU A 64 -0.653 1.724 -9.995 1.00 0.00 C ATOM 911 O GLU A 64 -1.486 2.454 -9.459 1.00 0.00 O ATOM 912 CB GLU A 64 0.735 2.770 -11.822 1.00 0.00 C ATOM 913 CG GLU A 64 0.609 1.606 -12.808 1.00 0.00 C ATOM 914 CD GLU A 64 0.136 2.096 -14.178 1.00 0.00 C ATOM 915 OE1 GLU A 64 -0.736 2.992 -14.190 1.00 0.00 O ATOM 916 OE2 GLU A 64 0.657 1.564 -15.182 1.00 0.00 O ATOM 0 H GLU A 64 1.741 0.501 -10.862 1.00 0.00 H new ATOM 0 HA GLU A 64 0.951 3.116 -9.731 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.087 3.470 -11.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.658 3.316 -12.015 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.572 1.105 -12.910 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.094 0.870 -12.419 1.00 0.00 H new ATOM 923 N ARG A 65 -0.851 0.446 -10.286 1.00 0.00 N ATOM 924 CA ARG A 65 -2.114 -0.204 -9.979 1.00 0.00 C ATOM 925 C ARG A 65 -2.169 -0.584 -8.498 1.00 0.00 C ATOM 926 O ARG A 65 -1.148 -0.573 -7.812 1.00 0.00 O ATOM 927 CB ARG A 65 -2.306 -1.462 -10.829 1.00 0.00 C ATOM 928 CG ARG A 65 -3.169 -1.167 -12.058 1.00 0.00 C ATOM 929 CD ARG A 65 -4.640 -1.487 -11.784 1.00 0.00 C ATOM 930 NE ARG A 65 -5.505 -0.460 -12.404 1.00 0.00 N ATOM 931 CZ ARG A 65 -6.835 -0.403 -12.247 1.00 0.00 C ATOM 932 NH1 ARG A 65 -7.459 -1.314 -11.488 1.00 0.00 N ATOM 933 NH2 ARG A 65 -7.540 0.565 -12.848 1.00 0.00 N ATOM 0 H ARG A 65 -0.158 -0.156 -10.731 1.00 0.00 H new ATOM 0 HA ARG A 65 -2.914 0.500 -10.207 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -1.335 -1.843 -11.145 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -2.775 -2.242 -10.230 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -3.067 -0.118 -12.335 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.816 -1.756 -12.904 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -4.887 -2.471 -12.182 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -4.819 -1.524 -10.709 1.00 0.00 H new ATOM 0 HE ARG A 65 -5.062 0.249 -12.988 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -6.922 -2.050 -11.030 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -8.471 -1.271 -11.368 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -7.065 1.259 -13.425 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.552 0.608 -12.728 1.00 0.00 H new ATOM 947 N CYS A 66 -3.372 -0.913 -8.049 1.00 0.00 N ATOM 948 CA CYS A 66 -3.574 -1.296 -6.662 1.00 0.00 C ATOM 949 C CYS A 66 -3.411 -2.813 -6.554 1.00 0.00 C ATOM 950 O CYS A 66 -4.284 -3.498 -6.023 1.00 0.00 O ATOM 951 CB CYS A 66 -4.933 -0.829 -6.139 1.00 0.00 C ATOM 952 SG CYS A 66 -6.275 -1.768 -6.955 1.00 0.00 S ATOM 0 H CYS A 66 -4.216 -0.922 -8.621 1.00 0.00 H new ATOM 0 HA CYS A 66 -2.829 -0.806 -6.034 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -4.984 -0.970 -5.059 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.057 0.237 -6.328 1.00 0.00 H new ATOM 0 HG CYS A 66 -6.031 -3.042 -6.865 1.00 0.00 H new ATOM 958 N GLY A 67 -2.288 -3.294 -7.067 1.00 0.00 N ATOM 959 CA GLY A 67 -2.000 -4.718 -7.035 1.00 0.00 C ATOM 960 C GLY A 67 -0.629 -5.014 -7.646 1.00 0.00 C ATOM 961 O GLY A 67 -0.197 -4.329 -8.572 1.00 0.00 O ATOM 0 H GLY A 67 -1.567 -2.723 -7.507 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.028 -5.075 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -2.771 -5.261 -7.582 1.00 0.00 H new ATOM 965 N PHE A 68 0.018 -6.035 -7.102 1.00 0.00 N ATOM 966 CA PHE A 68 1.331 -6.429 -7.581 1.00 0.00 C ATOM 967 C PHE A 68 1.582 -7.918 -7.329 1.00 0.00 C ATOM 968 O PHE A 68 0.792 -8.579 -6.658 1.00 0.00 O ATOM 969 CB PHE A 68 2.359 -5.611 -6.796 1.00 0.00 C ATOM 970 CG PHE A 68 3.810 -5.884 -7.198 1.00 0.00 C ATOM 971 CD1 PHE A 68 4.315 -5.335 -8.335 1.00 0.00 C ATOM 972 CD2 PHE A 68 4.594 -6.675 -6.417 1.00 0.00 C ATOM 973 CE1 PHE A 68 5.662 -5.589 -8.707 1.00 0.00 C ATOM 974 CE2 PHE A 68 5.940 -6.928 -6.790 1.00 0.00 C ATOM 975 CZ PHE A 68 6.446 -6.380 -7.927 1.00 0.00 C ATOM 0 H PHE A 68 -0.343 -6.601 -6.334 1.00 0.00 H new ATOM 0 HA PHE A 68 1.404 -6.251 -8.654 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.147 -4.551 -6.935 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.241 -5.822 -5.733 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.692 -4.706 -8.955 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.193 -7.110 -5.514 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.064 -5.154 -9.610 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.563 -7.556 -6.170 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.470 -6.573 -8.210 1.00 0.00 H new ATOM 985 N THR A 69 2.686 -8.400 -7.881 1.00 0.00 N ATOM 986 CA THR A 69 3.051 -9.798 -7.725 1.00 0.00 C ATOM 987 C THR A 69 4.510 -9.922 -7.281 1.00 0.00 C ATOM 988 O THR A 69 5.418 -9.499 -7.995 1.00 0.00 O ATOM 989 CB THR A 69 2.755 -10.515 -9.043 1.00 0.00 C ATOM 990 OG1 THR A 69 1.378 -10.870 -8.944 1.00 0.00 O ATOM 991 CG2 THR A 69 3.479 -11.858 -9.156 1.00 0.00 C ATOM 0 H THR A 69 3.339 -7.848 -8.437 1.00 0.00 H new ATOM 0 HA THR A 69 2.463 -10.274 -6.940 1.00 0.00 H new ATOM 0 HB THR A 69 3.046 -9.875 -9.876 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.102 -11.339 -9.759 1.00 0.00 H new ATOM 0 HG21 THR A 69 3.234 -12.324 -10.110 1.00 0.00 H new ATOM 0 HG22 THR A 69 4.555 -11.697 -9.097 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.164 -12.511 -8.342 1.00 0.00 H new ATOM 999 N VAL A 70 4.690 -10.502 -6.103 1.00 0.00 N ATOM 1000 CA VAL A 70 6.023 -10.687 -5.555 1.00 0.00 C ATOM 1001 C VAL A 70 6.571 -12.043 -6.005 1.00 0.00 C ATOM 1002 O VAL A 70 5.883 -13.058 -5.907 1.00 0.00 O ATOM 1003 CB VAL A 70 5.990 -10.530 -4.034 1.00 0.00 C ATOM 1004 CG1 VAL A 70 7.403 -10.562 -3.448 1.00 0.00 C ATOM 1005 CG2 VAL A 70 5.258 -9.248 -3.631 1.00 0.00 C ATOM 0 H VAL A 70 3.934 -10.850 -5.513 1.00 0.00 H new ATOM 0 HA VAL A 70 6.701 -9.921 -5.932 1.00 0.00 H new ATOM 0 HB VAL A 70 5.438 -11.375 -3.622 1.00 0.00 H new ATOM 0 HG11 VAL A 70 7.350 -10.448 -2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.876 -11.514 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.991 -9.747 -3.870 1.00 0.00 H new ATOM 0 HG21 VAL A 70 5.249 -9.160 -2.545 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.770 -8.387 -4.060 1.00 0.00 H new ATOM 0 HG23 VAL A 70 4.233 -9.283 -4.001 1.00 0.00 H new ATOM 1015 N LYS A 71 7.805 -12.016 -6.487 1.00 0.00 N ATOM 1016 CA LYS A 71 8.453 -13.230 -6.952 1.00 0.00 C ATOM 1017 C LYS A 71 9.689 -13.504 -6.093 1.00 0.00 C ATOM 1018 O LYS A 71 10.067 -12.679 -5.262 1.00 0.00 O ATOM 1019 CB LYS A 71 8.753 -13.138 -8.449 1.00 0.00 C ATOM 1020 CG LYS A 71 9.774 -12.035 -8.737 1.00 0.00 C ATOM 1021 CD LYS A 71 9.771 -11.659 -10.220 1.00 0.00 C ATOM 1022 CE LYS A 71 8.553 -10.800 -10.566 1.00 0.00 C ATOM 1023 NZ LYS A 71 8.922 -9.741 -11.532 1.00 0.00 N ATOM 0 H LYS A 71 8.373 -11.172 -6.565 1.00 0.00 H new ATOM 0 HA LYS A 71 7.787 -14.085 -6.836 1.00 0.00 H new ATOM 0 HB2 LYS A 71 9.135 -14.094 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.832 -12.938 -8.996 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.545 -11.156 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 71 10.769 -12.370 -8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 71 10.684 -11.116 -10.463 1.00 0.00 H new ATOM 0 HD3 LYS A 71 9.767 -12.564 -10.828 1.00 0.00 H new ATOM 0 HE2 LYS A 71 7.767 -11.427 -10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 71 8.150 -10.349 -9.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.084 -9.168 -11.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.657 -9.133 -11.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.285 -10.177 -12.403 1.00 0.00 H new ATOM 1037 N ASP A 72 10.284 -14.665 -6.322 1.00 0.00 N ATOM 1038 CA ASP A 72 11.469 -15.058 -5.579 1.00 0.00 C ATOM 1039 C ASP A 72 11.136 -15.111 -4.087 1.00 0.00 C ATOM 1040 O ASP A 72 11.370 -14.146 -3.360 1.00 0.00 O ATOM 1041 CB ASP A 72 12.602 -14.049 -5.775 1.00 0.00 C ATOM 1042 CG ASP A 72 14.013 -14.633 -5.682 1.00 0.00 C ATOM 1043 OD1 ASP A 72 14.517 -14.720 -4.541 1.00 0.00 O ATOM 1044 OD2 ASP A 72 14.556 -14.980 -6.753 1.00 0.00 O ATOM 0 H ASP A 72 9.968 -15.347 -7.012 1.00 0.00 H new ATOM 0 HA ASP A 72 11.788 -16.034 -5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 72 12.484 -13.578 -6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 72 12.501 -13.262 -5.027 1.00 0.00 H new ATOM 1049 N LEU A 73 10.596 -16.248 -3.674 1.00 0.00 N ATOM 1050 CA LEU A 73 10.229 -16.439 -2.281 1.00 0.00 C ATOM 1051 C LEU A 73 10.440 -17.906 -1.899 1.00 0.00 C ATOM 1052 O LEU A 73 10.243 -18.800 -2.721 1.00 0.00 O ATOM 1053 CB LEU A 73 8.806 -15.937 -2.028 1.00 0.00 C ATOM 1054 CG LEU A 73 8.474 -14.552 -2.588 1.00 0.00 C ATOM 1055 CD1 LEU A 73 6.961 -14.335 -2.655 1.00 0.00 C ATOM 1056 CD2 LEU A 73 9.175 -13.454 -1.784 1.00 0.00 C ATOM 0 H LEU A 73 10.404 -17.046 -4.279 1.00 0.00 H new ATOM 0 HA LEU A 73 10.872 -15.844 -1.633 1.00 0.00 H new ATOM 0 HB2 LEU A 73 8.107 -16.657 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 73 8.633 -15.923 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 73 8.852 -14.497 -3.609 1.00 0.00 H new ATOM 0 HD11 LEU A 73 6.753 -13.343 -3.056 1.00 0.00 H new ATOM 0 HD12 LEU A 73 6.514 -15.089 -3.302 1.00 0.00 H new ATOM 0 HD13 LEU A 73 6.537 -14.418 -1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.923 -12.480 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.848 -13.499 -0.745 1.00 0.00 H new ATOM 0 HD23 LEU A 73 10.254 -13.601 -1.831 1.00 0.00 H new ATOM 1068 N PRO A 74 10.847 -18.114 -0.618 1.00 0.00 N ATOM 1069 CA PRO A 74 11.087 -19.456 -0.118 1.00 0.00 C ATOM 1070 C PRO A 74 9.768 -20.186 0.147 1.00 0.00 C ATOM 1071 O PRO A 74 8.963 -19.744 0.965 1.00 0.00 O ATOM 1072 CB PRO A 74 11.922 -19.265 1.138 1.00 0.00 C ATOM 1073 CG PRO A 74 11.727 -17.815 1.550 1.00 0.00 C ATOM 1074 CD PRO A 74 11.089 -17.079 0.383 1.00 0.00 C ATOM 0 HA PRO A 74 11.612 -20.085 -0.837 1.00 0.00 H new ATOM 0 HB2 PRO A 74 11.599 -19.943 1.928 1.00 0.00 H new ATOM 0 HB3 PRO A 74 12.973 -19.478 0.945 1.00 0.00 H new ATOM 0 HG2 PRO A 74 11.092 -17.752 2.434 1.00 0.00 H new ATOM 0 HG3 PRO A 74 12.683 -17.361 1.811 1.00 0.00 H new ATOM 0 HD2 PRO A 74 10.161 -16.592 0.682 1.00 0.00 H new ATOM 0 HD3 PRO A 74 11.748 -16.301 -0.003 1.00 0.00 H new ATOM 1082 N THR A 75 9.588 -21.291 -0.561 1.00 0.00 N ATOM 1083 CA THR A 75 8.382 -22.087 -0.413 1.00 0.00 C ATOM 1084 C THR A 75 8.267 -22.622 1.016 1.00 0.00 C ATOM 1085 O THR A 75 9.110 -23.400 1.460 1.00 0.00 O ATOM 1086 CB THR A 75 8.409 -23.189 -1.474 1.00 0.00 C ATOM 1087 OG1 THR A 75 8.362 -22.482 -2.711 1.00 0.00 O ATOM 1088 CG2 THR A 75 7.131 -24.030 -1.478 1.00 0.00 C ATOM 0 H THR A 75 10.258 -21.654 -1.239 1.00 0.00 H new ATOM 0 HA THR A 75 7.489 -21.484 -0.573 1.00 0.00 H new ATOM 0 HB THR A 75 9.269 -23.836 -1.302 1.00 0.00 H new ATOM 0 HG1 THR A 75 7.539 -21.952 -2.754 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.203 -24.797 -2.249 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.005 -24.505 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.274 -23.388 -1.683 1.00 0.00 H new ATOM 1096 N GLY A 76 7.218 -22.183 1.695 1.00 0.00 N ATOM 1097 CA GLY A 76 6.983 -22.608 3.065 1.00 0.00 C ATOM 1098 C GLY A 76 7.675 -21.671 4.056 1.00 0.00 C ATOM 1099 O GLY A 76 8.312 -22.126 5.005 1.00 0.00 O ATOM 0 H GLY A 76 6.521 -21.538 1.323 1.00 0.00 H new ATOM 0 HA2 GLY A 76 5.912 -22.627 3.265 1.00 0.00 H new ATOM 0 HA3 GLY A 76 7.351 -23.625 3.202 1.00 0.00 H new ATOM 1103 N ALA A 77 7.527 -20.379 3.803 1.00 0.00 N ATOM 1104 CA ALA A 77 8.131 -19.374 4.661 1.00 0.00 C ATOM 1105 C ALA A 77 7.084 -18.316 5.014 1.00 0.00 C ATOM 1106 O ALA A 77 6.403 -17.793 4.133 1.00 0.00 O ATOM 1107 CB ALA A 77 9.354 -18.775 3.964 1.00 0.00 C ATOM 0 H ALA A 77 6.997 -20.005 3.016 1.00 0.00 H new ATOM 0 HA ALA A 77 8.475 -19.822 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 77 9.807 -18.021 4.608 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.080 -19.563 3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 77 9.048 -18.314 3.025 1.00 0.00 H new ATOM 1113 N ARG A 78 6.988 -18.031 6.305 1.00 0.00 N ATOM 1114 CA ARG A 78 6.036 -17.044 6.785 1.00 0.00 C ATOM 1115 C ARG A 78 6.566 -15.630 6.537 1.00 0.00 C ATOM 1116 O ARG A 78 7.201 -15.040 7.410 1.00 0.00 O ATOM 1117 CB ARG A 78 5.762 -17.224 8.279 1.00 0.00 C ATOM 1118 CG ARG A 78 4.616 -18.211 8.511 1.00 0.00 C ATOM 1119 CD ARG A 78 5.137 -19.532 9.082 1.00 0.00 C ATOM 1120 NE ARG A 78 4.297 -20.654 8.609 1.00 0.00 N ATOM 1121 CZ ARG A 78 3.025 -20.850 8.982 1.00 0.00 C ATOM 1122 NH1 ARG A 78 2.438 -20.000 9.836 1.00 0.00 N ATOM 1123 NH2 ARG A 78 2.339 -21.896 8.502 1.00 0.00 N ATOM 0 H ARG A 78 7.554 -18.467 7.033 1.00 0.00 H new ATOM 0 HA ARG A 78 5.105 -17.188 6.237 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.663 -17.583 8.777 1.00 0.00 H new ATOM 0 HB3 ARG A 78 5.514 -16.261 8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.890 -17.776 9.197 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.096 -18.397 7.571 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.172 -19.687 8.776 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.129 -19.495 10.171 1.00 0.00 H new ATOM 0 HE ARG A 78 4.712 -21.320 7.958 1.00 0.00 H new ATOM 0 HH11 ARG A 78 2.960 -19.204 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 78 1.470 -20.150 10.120 1.00 0.00 H new ATOM 0 HH21 ARG A 78 2.785 -22.544 7.852 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.371 -22.045 8.786 1.00 0.00 H new ATOM 1137 N ILE A 79 6.287 -15.128 5.344 1.00 0.00 N ATOM 1138 CA ILE A 79 6.728 -13.795 4.971 1.00 0.00 C ATOM 1139 C ILE A 79 5.565 -12.813 5.135 1.00 0.00 C ATOM 1140 O ILE A 79 4.432 -13.120 4.767 1.00 0.00 O ATOM 1141 CB ILE A 79 7.331 -13.803 3.565 1.00 0.00 C ATOM 1142 CG1 ILE A 79 8.544 -14.733 3.495 1.00 0.00 C ATOM 1143 CG2 ILE A 79 7.668 -12.384 3.104 1.00 0.00 C ATOM 1144 CD1 ILE A 79 8.835 -15.146 2.051 1.00 0.00 C ATOM 0 H ILE A 79 5.761 -15.620 4.622 1.00 0.00 H new ATOM 0 HA ILE A 79 7.526 -13.459 5.633 1.00 0.00 H new ATOM 0 HB ILE A 79 6.584 -14.195 2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 79 9.416 -14.232 3.917 1.00 0.00 H new ATOM 0 HG13 ILE A 79 8.362 -15.620 4.101 1.00 0.00 H new ATOM 0 HG21 ILE A 79 8.095 -12.419 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 79 6.760 -11.780 3.091 1.00 0.00 H new ATOM 0 HG23 ILE A 79 8.389 -11.940 3.790 1.00 0.00 H new ATOM 0 HD11 ILE A 79 9.702 -15.807 2.029 1.00 0.00 H new ATOM 0 HD12 ILE A 79 7.970 -15.668 1.641 1.00 0.00 H new ATOM 0 HD13 ILE A 79 9.040 -14.258 1.453 1.00 0.00 H new ATOM 1156 N LEU A 80 5.886 -11.653 5.688 1.00 0.00 N ATOM 1157 CA LEU A 80 4.883 -10.625 5.906 1.00 0.00 C ATOM 1158 C LEU A 80 5.001 -9.563 4.810 1.00 0.00 C ATOM 1159 O LEU A 80 6.083 -9.031 4.570 1.00 0.00 O ATOM 1160 CB LEU A 80 4.993 -10.060 7.323 1.00 0.00 C ATOM 1161 CG LEU A 80 4.231 -10.821 8.410 1.00 0.00 C ATOM 1162 CD1 LEU A 80 4.676 -10.376 9.805 1.00 0.00 C ATOM 1163 CD2 LEU A 80 2.720 -10.683 8.219 1.00 0.00 C ATOM 0 H LEU A 80 6.827 -11.402 5.992 1.00 0.00 H new ATOM 0 HA LEU A 80 3.882 -11.049 5.834 1.00 0.00 H new ATOM 0 HB2 LEU A 80 6.047 -10.029 7.600 1.00 0.00 H new ATOM 0 HB3 LEU A 80 4.637 -9.030 7.311 1.00 0.00 H new ATOM 0 HG LEU A 80 4.471 -11.880 8.318 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.119 -10.932 10.559 1.00 0.00 H new ATOM 0 HD12 LEU A 80 5.742 -10.569 9.926 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.484 -9.310 9.925 1.00 0.00 H new ATOM 0 HD21 LEU A 80 2.202 -11.233 9.005 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.442 -9.630 8.269 1.00 0.00 H new ATOM 0 HD23 LEU A 80 2.438 -11.087 7.247 1.00 0.00 H new ATOM 1175 N PHE A 81 3.871 -9.287 4.175 1.00 0.00 N ATOM 1176 CA PHE A 81 3.834 -8.299 3.110 1.00 0.00 C ATOM 1177 C PHE A 81 3.218 -6.987 3.601 1.00 0.00 C ATOM 1178 O PHE A 81 2.272 -6.997 4.387 1.00 0.00 O ATOM 1179 CB PHE A 81 2.958 -8.875 1.996 1.00 0.00 C ATOM 1180 CG PHE A 81 3.515 -10.151 1.363 1.00 0.00 C ATOM 1181 CD1 PHE A 81 4.843 -10.248 1.081 1.00 0.00 C ATOM 1182 CD2 PHE A 81 2.684 -11.190 1.081 1.00 0.00 C ATOM 1183 CE1 PHE A 81 5.360 -11.432 0.494 1.00 0.00 C ATOM 1184 CE2 PHE A 81 3.201 -12.375 0.494 1.00 0.00 C ATOM 1185 CZ PHE A 81 4.528 -12.471 0.213 1.00 0.00 C ATOM 0 H PHE A 81 2.975 -9.730 4.377 1.00 0.00 H new ATOM 0 HA PHE A 81 4.845 -8.087 2.763 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.967 -9.084 2.399 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.834 -8.121 1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 81 5.504 -9.423 1.304 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.630 -11.114 1.304 1.00 0.00 H new ATOM 0 HE1 PHE A 81 6.414 -11.508 0.270 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.541 -13.200 0.271 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.922 -13.372 -0.233 1.00 0.00 H new ATOM 1195 N ARG A 82 3.780 -5.889 3.116 1.00 0.00 N ATOM 1196 CA ARG A 82 3.297 -4.572 3.496 1.00 0.00 C ATOM 1197 C ARG A 82 3.336 -3.626 2.294 1.00 0.00 C ATOM 1198 O ARG A 82 4.278 -3.658 1.504 1.00 0.00 O ATOM 1199 CB ARG A 82 4.140 -3.982 4.628 1.00 0.00 C ATOM 1200 CG ARG A 82 5.588 -3.768 4.180 1.00 0.00 C ATOM 1201 CD ARG A 82 6.014 -2.312 4.378 1.00 0.00 C ATOM 1202 NE ARG A 82 7.328 -2.257 5.057 1.00 0.00 N ATOM 1203 CZ ARG A 82 8.179 -1.227 4.964 1.00 0.00 C ATOM 1204 NH1 ARG A 82 7.860 -0.159 4.220 1.00 0.00 N ATOM 1205 NH2 ARG A 82 9.350 -1.264 5.615 1.00 0.00 N ATOM 0 H ARG A 82 4.564 -5.884 2.464 1.00 0.00 H new ATOM 0 HA ARG A 82 2.270 -4.682 3.843 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.711 -3.033 4.949 1.00 0.00 H new ATOM 0 HB3 ARG A 82 4.117 -4.650 5.489 1.00 0.00 H new ATOM 0 HG2 ARG A 82 6.248 -4.424 4.747 1.00 0.00 H new ATOM 0 HG3 ARG A 82 5.692 -4.041 3.130 1.00 0.00 H new ATOM 0 HD2 ARG A 82 6.072 -1.807 3.414 1.00 0.00 H new ATOM 0 HD3 ARG A 82 5.267 -1.783 4.970 1.00 0.00 H new ATOM 0 HE ARG A 82 7.603 -3.054 5.632 1.00 0.00 H new ATOM 0 HH11 ARG A 82 6.969 -0.130 3.724 1.00 0.00 H new ATOM 0 HH12 ARG A 82 8.508 0.625 4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 82 9.593 -2.077 6.181 1.00 0.00 H new ATOM 0 HH22 ARG A 82 9.998 -0.479 5.544 1.00 0.00 H new ATOM 1219 N VAL A 83 2.300 -2.806 2.193 1.00 0.00 N ATOM 1220 CA VAL A 83 2.203 -1.853 1.101 1.00 0.00 C ATOM 1221 C VAL A 83 2.163 -0.434 1.671 1.00 0.00 C ATOM 1222 O VAL A 83 1.388 -0.148 2.582 1.00 0.00 O ATOM 1223 CB VAL A 83 0.992 -2.180 0.226 1.00 0.00 C ATOM 1224 CG1 VAL A 83 0.462 -0.924 -0.469 1.00 0.00 C ATOM 1225 CG2 VAL A 83 1.329 -3.271 -0.793 1.00 0.00 C ATOM 0 H VAL A 83 1.520 -2.782 2.850 1.00 0.00 H new ATOM 0 HA VAL A 83 3.080 -1.920 0.457 1.00 0.00 H new ATOM 0 HB VAL A 83 0.204 -2.561 0.875 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -0.399 -1.185 -1.085 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.163 -0.192 0.281 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.244 -0.500 -1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 83 0.450 -3.484 -1.402 1.00 0.00 H new ATOM 0 HG22 VAL A 83 2.142 -2.931 -1.435 1.00 0.00 H new ATOM 0 HG23 VAL A 83 1.635 -4.176 -0.269 1.00 0.00 H new ATOM 1235 N VAL A 84 3.009 0.419 1.110 1.00 0.00 N ATOM 1236 CA VAL A 84 3.080 1.802 1.551 1.00 0.00 C ATOM 1237 C VAL A 84 2.950 2.726 0.339 1.00 0.00 C ATOM 1238 O VAL A 84 3.674 2.572 -0.644 1.00 0.00 O ATOM 1239 CB VAL A 84 4.368 2.032 2.344 1.00 0.00 C ATOM 1240 CG1 VAL A 84 4.197 1.607 3.804 1.00 0.00 C ATOM 1241 CG2 VAL A 84 5.549 1.307 1.696 1.00 0.00 C ATOM 0 H VAL A 84 3.651 0.179 0.354 1.00 0.00 H new ATOM 0 HA VAL A 84 2.254 2.032 2.224 1.00 0.00 H new ATOM 0 HB VAL A 84 4.583 3.100 2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.127 1.781 4.345 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.397 2.189 4.261 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.945 0.547 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.452 1.487 2.280 1.00 0.00 H new ATOM 0 HG22 VAL A 84 5.346 0.237 1.664 1.00 0.00 H new ATOM 0 HG23 VAL A 84 5.693 1.680 0.682 1.00 0.00 H new ATOM 1251 N GLY A 85 2.023 3.666 0.448 1.00 0.00 N ATOM 1252 CA GLY A 85 1.790 4.615 -0.627 1.00 0.00 C ATOM 1253 C GLY A 85 2.864 5.704 -0.640 1.00 0.00 C ATOM 1254 O GLY A 85 3.020 6.439 0.334 1.00 0.00 O ATOM 0 H GLY A 85 1.424 3.791 1.264 1.00 0.00 H new ATOM 0 HA2 GLY A 85 1.786 4.092 -1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.807 5.070 -0.508 1.00 0.00 H new ATOM 1258 N VAL A 86 3.578 5.774 -1.754 1.00 0.00 N ATOM 1259 CA VAL A 86 4.633 6.761 -1.906 1.00 0.00 C ATOM 1260 C VAL A 86 4.050 8.033 -2.526 1.00 0.00 C ATOM 1261 O VAL A 86 2.985 7.997 -3.140 1.00 0.00 O ATOM 1262 CB VAL A 86 5.786 6.173 -2.722 1.00 0.00 C ATOM 1263 CG1 VAL A 86 6.611 5.197 -1.881 1.00 0.00 C ATOM 1264 CG2 VAL A 86 5.269 5.499 -3.995 1.00 0.00 C ATOM 0 H VAL A 86 3.446 5.163 -2.560 1.00 0.00 H new ATOM 0 HA VAL A 86 5.045 7.032 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 86 6.439 6.994 -3.019 1.00 0.00 H new ATOM 0 HG11 VAL A 86 7.424 4.794 -2.485 1.00 0.00 H new ATOM 0 HG12 VAL A 86 7.024 5.720 -1.018 1.00 0.00 H new ATOM 0 HG13 VAL A 86 5.973 4.382 -1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.109 5.090 -4.557 1.00 0.00 H new ATOM 0 HG22 VAL A 86 4.584 4.694 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 86 4.746 6.233 -4.608 1.00 0.00 H new ATOM 1274 N ASN A 87 4.774 9.128 -2.342 1.00 0.00 N ATOM 1275 CA ASN A 87 4.342 10.408 -2.875 1.00 0.00 C ATOM 1276 C ASN A 87 5.417 11.461 -2.596 1.00 0.00 C ATOM 1277 O ASN A 87 6.369 11.201 -1.861 1.00 0.00 O ATOM 1278 CB ASN A 87 3.043 10.871 -2.212 1.00 0.00 C ATOM 1279 CG ASN A 87 3.107 10.689 -0.694 1.00 0.00 C ATOM 1280 OD1 ASN A 87 3.935 11.266 -0.008 1.00 0.00 O ATOM 1281 ND2 ASN A 87 2.190 9.857 -0.210 1.00 0.00 N ATOM 0 H ASN A 87 5.657 9.154 -1.831 1.00 0.00 H new ATOM 0 HA ASN A 87 4.178 10.289 -3.946 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.863 11.920 -2.449 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.203 10.305 -2.615 1.00 0.00 H new ATOM 0 HD21 ASN A 87 2.150 9.669 0.792 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.526 9.407 -0.840 1.00 0.00 H new ATOM 1288 N ILE A 88 5.228 12.627 -3.197 1.00 0.00 N ATOM 1289 CA ILE A 88 6.170 13.719 -3.022 1.00 0.00 C ATOM 1290 C ILE A 88 6.400 13.955 -1.527 1.00 0.00 C ATOM 1291 O ILE A 88 7.466 14.417 -1.125 1.00 0.00 O ATOM 1292 CB ILE A 88 5.693 14.963 -3.774 1.00 0.00 C ATOM 1293 CG1 ILE A 88 6.796 16.022 -3.839 1.00 0.00 C ATOM 1294 CG2 ILE A 88 4.405 15.515 -3.160 1.00 0.00 C ATOM 1295 CD1 ILE A 88 6.970 16.546 -5.265 1.00 0.00 C ATOM 0 H ILE A 88 4.437 12.839 -3.805 1.00 0.00 H new ATOM 0 HA ILE A 88 7.136 13.462 -3.457 1.00 0.00 H new ATOM 0 HB ILE A 88 5.463 14.674 -4.800 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.551 16.848 -3.172 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.735 15.596 -3.487 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.088 16.399 -3.713 1.00 0.00 H new ATOM 0 HG22 ILE A 88 3.624 14.756 -3.210 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.584 15.784 -2.119 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.760 17.297 -5.283 1.00 0.00 H new ATOM 0 HD12 ILE A 88 7.238 15.721 -5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.036 16.994 -5.605 1.00 0.00 H new ATOM 1307 N ALA A 89 5.382 13.626 -0.746 1.00 0.00 N ATOM 1308 CA ALA A 89 5.459 13.795 0.695 1.00 0.00 C ATOM 1309 C ALA A 89 6.387 12.729 1.281 1.00 0.00 C ATOM 1310 O ALA A 89 7.036 12.957 2.300 1.00 0.00 O ATOM 1311 CB ALA A 89 4.052 13.736 1.293 1.00 0.00 C ATOM 0 H ALA A 89 4.499 13.243 -1.084 1.00 0.00 H new ATOM 0 HA ALA A 89 5.878 14.770 0.944 1.00 0.00 H new ATOM 0 HB1 ALA A 89 4.110 13.863 2.374 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.442 14.532 0.867 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.600 12.771 1.065 1.00 0.00 H new ATOM 1317 N GLY A 90 6.419 11.586 0.611 1.00 0.00 N ATOM 1318 CA GLY A 90 7.257 10.484 1.052 1.00 0.00 C ATOM 1319 C GLY A 90 6.489 9.161 1.009 1.00 0.00 C ATOM 1320 O GLY A 90 6.131 8.682 -0.066 1.00 0.00 O ATOM 0 H GLY A 90 5.878 11.399 -0.234 1.00 0.00 H new ATOM 0 HA2 GLY A 90 8.140 10.417 0.417 1.00 0.00 H new ATOM 0 HA3 GLY A 90 7.608 10.672 2.067 1.00 0.00 H new ATOM 1324 N ARG A 91 6.259 8.608 2.191 1.00 0.00 N ATOM 1325 CA ARG A 91 5.540 7.350 2.301 1.00 0.00 C ATOM 1326 C ARG A 91 4.432 7.462 3.350 1.00 0.00 C ATOM 1327 O ARG A 91 4.425 8.393 4.154 1.00 0.00 O ATOM 1328 CB ARG A 91 6.484 6.209 2.686 1.00 0.00 C ATOM 1329 CG ARG A 91 7.334 6.586 3.901 1.00 0.00 C ATOM 1330 CD ARG A 91 7.693 5.348 4.724 1.00 0.00 C ATOM 1331 NE ARG A 91 7.786 5.703 6.158 1.00 0.00 N ATOM 1332 CZ ARG A 91 7.697 4.816 7.159 1.00 0.00 C ATOM 1333 NH1 ARG A 91 7.513 3.517 6.889 1.00 0.00 N ATOM 1334 NH2 ARG A 91 7.792 5.229 8.430 1.00 0.00 N ATOM 0 H ARG A 91 6.558 9.008 3.081 1.00 0.00 H new ATOM 0 HA ARG A 91 5.102 7.132 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.905 5.312 2.907 1.00 0.00 H new ATOM 0 HB3 ARG A 91 7.133 5.970 1.844 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.245 7.085 3.571 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.790 7.296 4.524 1.00 0.00 H new ATOM 0 HD2 ARG A 91 6.939 4.574 4.581 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.642 4.935 4.381 1.00 0.00 H new ATOM 0 HE ARG A 91 7.927 6.684 6.400 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.441 3.202 5.921 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.445 2.842 7.651 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.932 6.218 8.636 1.00 0.00 H new ATOM 0 HH22 ARG A 91 7.724 4.554 9.192 1.00 0.00 H new ATOM 1348 N SER A 92 3.522 6.500 3.309 1.00 0.00 N ATOM 1349 CA SER A 92 2.412 6.479 4.246 1.00 0.00 C ATOM 1350 C SER A 92 2.484 5.221 5.114 1.00 0.00 C ATOM 1351 O SER A 92 3.349 4.371 4.911 1.00 0.00 O ATOM 1352 CB SER A 92 1.071 6.541 3.512 1.00 0.00 C ATOM 1353 OG SER A 92 0.966 5.539 2.504 1.00 0.00 O ATOM 0 H SER A 92 3.531 5.729 2.641 1.00 0.00 H new ATOM 0 HA SER A 92 2.487 7.359 4.885 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.259 6.420 4.229 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.951 7.525 3.059 1.00 0.00 H new ATOM 0 HG SER A 92 1.549 5.770 1.751 1.00 0.00 H new ATOM 1359 N GLU A 93 1.563 5.143 6.063 1.00 0.00 N ATOM 1360 CA GLU A 93 1.511 4.003 6.963 1.00 0.00 C ATOM 1361 C GLU A 93 1.456 2.699 6.165 1.00 0.00 C ATOM 1362 O GLU A 93 0.733 2.602 5.175 1.00 0.00 O ATOM 1363 CB GLU A 93 0.320 4.112 7.918 1.00 0.00 C ATOM 1364 CG GLU A 93 0.726 4.795 9.225 1.00 0.00 C ATOM 1365 CD GLU A 93 0.611 3.829 10.407 1.00 0.00 C ATOM 1366 OE1 GLU A 93 -0.539 3.465 10.732 1.00 0.00 O ATOM 1367 OE2 GLU A 93 1.677 3.477 10.958 1.00 0.00 O ATOM 0 H GLU A 93 0.847 5.850 6.228 1.00 0.00 H new ATOM 0 HA GLU A 93 2.419 3.999 7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.482 4.677 7.442 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -0.073 3.118 8.130 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.750 5.159 9.146 1.00 0.00 H new ATOM 0 HG3 GLU A 93 0.091 5.664 9.398 1.00 0.00 H new ATOM 1374 N PRO A 94 2.251 1.702 6.638 1.00 0.00 N ATOM 1375 CA PRO A 94 2.300 0.407 5.980 1.00 0.00 C ATOM 1376 C PRO A 94 1.040 -0.408 6.279 1.00 0.00 C ATOM 1377 O PRO A 94 0.694 -0.618 7.441 1.00 0.00 O ATOM 1378 CB PRO A 94 3.569 -0.250 6.497 1.00 0.00 C ATOM 1379 CG PRO A 94 3.937 0.498 7.768 1.00 0.00 C ATOM 1380 CD PRO A 94 3.121 1.780 7.808 1.00 0.00 C ATOM 0 HA PRO A 94 2.324 0.488 4.893 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.406 -1.308 6.700 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.370 -0.186 5.760 1.00 0.00 H new ATOM 0 HG2 PRO A 94 3.729 -0.115 8.645 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.003 0.724 7.783 1.00 0.00 H new ATOM 0 HD2 PRO A 94 2.541 1.852 8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 94 3.763 2.660 7.766 1.00 0.00 H new ATOM 1388 N ALA A 95 0.389 -0.845 5.211 1.00 0.00 N ATOM 1389 CA ALA A 95 -0.825 -1.632 5.345 1.00 0.00 C ATOM 1390 C ALA A 95 -0.454 -3.096 5.590 1.00 0.00 C ATOM 1391 O ALA A 95 -0.924 -3.986 4.883 1.00 0.00 O ATOM 1392 CB ALA A 95 -1.691 -1.452 4.097 1.00 0.00 C ATOM 0 H ALA A 95 0.679 -0.669 4.249 1.00 0.00 H new ATOM 0 HA ALA A 95 -1.410 -1.292 6.200 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.602 -2.043 4.198 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -1.952 -0.400 3.984 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -1.138 -1.785 3.219 1.00 0.00 H new ATOM 1398 N THR A 96 0.387 -3.300 6.594 1.00 0.00 N ATOM 1399 CA THR A 96 0.827 -4.641 6.941 1.00 0.00 C ATOM 1400 C THR A 96 -0.329 -5.634 6.804 1.00 0.00 C ATOM 1401 O THR A 96 -1.486 -5.280 7.030 1.00 0.00 O ATOM 1402 CB THR A 96 1.424 -4.593 8.349 1.00 0.00 C ATOM 1403 OG1 THR A 96 2.121 -3.351 8.388 1.00 0.00 O ATOM 1404 CG2 THR A 96 2.518 -5.641 8.557 1.00 0.00 C ATOM 0 H THR A 96 0.775 -2.559 7.178 1.00 0.00 H new ATOM 0 HA THR A 96 1.599 -4.994 6.257 1.00 0.00 H new ATOM 0 HB THR A 96 0.633 -4.744 9.084 1.00 0.00 H new ATOM 0 HG1 THR A 96 2.538 -3.237 9.268 1.00 0.00 H new ATOM 0 HG21 THR A 96 2.908 -5.564 9.572 1.00 0.00 H new ATOM 0 HG22 THR A 96 2.102 -6.637 8.403 1.00 0.00 H new ATOM 0 HG23 THR A 96 3.325 -5.471 7.845 1.00 0.00 H new ATOM 1412 N LEU A 97 0.023 -6.856 6.435 1.00 0.00 N ATOM 1413 CA LEU A 97 -0.971 -7.903 6.266 1.00 0.00 C ATOM 1414 C LEU A 97 -1.419 -8.401 7.641 1.00 0.00 C ATOM 1415 O LEU A 97 -0.611 -8.503 8.563 1.00 0.00 O ATOM 1416 CB LEU A 97 -0.434 -9.009 5.355 1.00 0.00 C ATOM 1417 CG LEU A 97 -0.708 -8.838 3.860 1.00 0.00 C ATOM 1418 CD1 LEU A 97 -0.147 -10.017 3.062 1.00 0.00 C ATOM 1419 CD2 LEU A 97 -2.200 -8.625 3.596 1.00 0.00 C ATOM 0 H LEU A 97 0.983 -7.145 6.248 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.856 -7.512 5.765 1.00 0.00 H new ATOM 0 HB2 LEU A 97 0.644 -9.081 5.501 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -0.863 -9.958 5.677 1.00 0.00 H new ATOM 0 HG LEU A 97 -0.190 -7.942 3.518 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -0.355 -9.871 2.002 1.00 0.00 H new ATOM 0 HD12 LEU A 97 0.930 -10.080 3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -0.616 -10.941 3.400 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -2.367 -8.506 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -2.760 -9.488 3.957 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -2.537 -7.729 4.117 1.00 0.00 H new ATOM 1431 N LEU A 98 -2.706 -8.700 7.736 1.00 0.00 N ATOM 1432 CA LEU A 98 -3.272 -9.186 8.983 1.00 0.00 C ATOM 1433 C LEU A 98 -2.654 -10.543 9.324 1.00 0.00 C ATOM 1434 O LEU A 98 -2.539 -10.900 10.495 1.00 0.00 O ATOM 1435 CB LEU A 98 -4.800 -9.207 8.906 1.00 0.00 C ATOM 1436 CG LEU A 98 -5.493 -7.844 8.940 1.00 0.00 C ATOM 1437 CD1 LEU A 98 -6.815 -7.881 8.171 1.00 0.00 C ATOM 1438 CD2 LEU A 98 -5.680 -7.359 10.379 1.00 0.00 C ATOM 0 H LEU A 98 -3.373 -8.615 6.969 1.00 0.00 H new ATOM 0 HA LEU A 98 -3.027 -8.509 9.802 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -5.090 -9.717 7.988 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -5.177 -9.805 9.736 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.849 -7.122 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -7.287 -6.899 8.211 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -6.624 -8.150 7.132 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.477 -8.621 8.621 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -6.175 -6.388 10.374 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.291 -8.075 10.928 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.707 -7.268 10.862 1.00 0.00 H new ATOM 1450 N GLN A 99 -2.273 -11.263 8.279 1.00 0.00 N ATOM 1451 CA GLN A 99 -1.670 -12.573 8.453 1.00 0.00 C ATOM 1452 C GLN A 99 -0.537 -12.774 7.444 1.00 0.00 C ATOM 1453 O GLN A 99 -0.586 -12.242 6.336 1.00 0.00 O ATOM 1454 CB GLN A 99 -2.718 -13.681 8.327 1.00 0.00 C ATOM 1455 CG GLN A 99 -3.699 -13.642 9.501 1.00 0.00 C ATOM 1456 CD GLN A 99 -4.262 -15.035 9.791 1.00 0.00 C ATOM 1457 OE1 GLN A 99 -4.093 -15.973 9.029 1.00 0.00 O ATOM 1458 NE2 GLN A 99 -4.938 -15.118 10.933 1.00 0.00 N ATOM 0 H GLN A 99 -2.370 -10.964 7.309 1.00 0.00 H new ATOM 0 HA GLN A 99 -1.251 -12.627 9.458 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -3.262 -13.567 7.389 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -2.224 -14.652 8.293 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -3.195 -13.257 10.388 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -4.515 -12.956 9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -5.042 -14.294 11.525 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -5.352 -16.006 11.217 1.00 0.00 H new ATOM 1467 N PRO A 100 0.483 -13.564 7.875 1.00 0.00 N ATOM 1468 CA PRO A 100 1.626 -13.841 7.023 1.00 0.00 C ATOM 1469 C PRO A 100 1.263 -14.848 5.929 1.00 0.00 C ATOM 1470 O PRO A 100 0.172 -15.416 5.941 1.00 0.00 O ATOM 1471 CB PRO A 100 2.705 -14.351 7.965 1.00 0.00 C ATOM 1472 CG PRO A 100 1.984 -14.779 9.232 1.00 0.00 C ATOM 1473 CD PRO A 100 0.575 -14.210 9.181 1.00 0.00 C ATOM 0 HA PRO A 100 1.972 -12.959 6.483 1.00 0.00 H new ATOM 0 HB2 PRO A 100 3.246 -15.187 7.522 1.00 0.00 H new ATOM 0 HB3 PRO A 100 3.438 -13.573 8.177 1.00 0.00 H new ATOM 0 HG2 PRO A 100 1.954 -15.866 9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.511 -14.414 10.113 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.173 -14.995 9.288 1.00 0.00 H new ATOM 0 HD3 PRO A 100 0.406 -13.497 9.988 1.00 0.00 H new ATOM 1481 N VAL A 101 2.199 -15.039 5.011 1.00 0.00 N ATOM 1482 CA VAL A 101 1.991 -15.967 3.913 1.00 0.00 C ATOM 1483 C VAL A 101 3.000 -17.112 4.021 1.00 0.00 C ATOM 1484 O VAL A 101 4.184 -16.881 4.258 1.00 0.00 O ATOM 1485 CB VAL A 101 2.070 -15.225 2.577 1.00 0.00 C ATOM 1486 CG1 VAL A 101 2.156 -16.207 1.408 1.00 0.00 C ATOM 1487 CG2 VAL A 101 0.885 -14.272 2.408 1.00 0.00 C ATOM 0 H VAL A 101 3.103 -14.567 5.005 1.00 0.00 H new ATOM 0 HA VAL A 101 0.994 -16.405 3.967 1.00 0.00 H new ATOM 0 HB VAL A 101 2.982 -14.628 2.579 1.00 0.00 H new ATOM 0 HG11 VAL A 101 2.211 -15.653 0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.047 -16.825 1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 101 1.271 -16.844 1.402 1.00 0.00 H new ATOM 0 HG21 VAL A 101 0.966 -13.757 1.450 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -0.045 -14.839 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.889 -13.539 3.215 1.00 0.00 H new ATOM 1497 N THR A 102 2.494 -18.324 3.841 1.00 0.00 N ATOM 1498 CA THR A 102 3.336 -19.505 3.916 1.00 0.00 C ATOM 1499 C THR A 102 4.082 -19.712 2.596 1.00 0.00 C ATOM 1500 O THR A 102 5.145 -20.330 2.571 1.00 0.00 O ATOM 1501 CB THR A 102 2.452 -20.692 4.307 1.00 0.00 C ATOM 1502 OG1 THR A 102 2.673 -20.843 5.707 1.00 0.00 O ATOM 1503 CG2 THR A 102 2.944 -22.011 3.708 1.00 0.00 C ATOM 0 H THR A 102 1.511 -18.513 3.643 1.00 0.00 H new ATOM 0 HA THR A 102 4.109 -19.392 4.676 1.00 0.00 H new ATOM 0 HB THR A 102 1.429 -20.505 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.564 -21.785 5.956 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.282 -22.820 4.016 1.00 0.00 H new ATOM 0 HG22 THR A 102 2.946 -21.938 2.620 1.00 0.00 H new ATOM 0 HG23 THR A 102 3.955 -22.216 4.060 1.00 0.00 H new ATOM 1511 N ILE A 103 3.496 -19.184 1.532 1.00 0.00 N ATOM 1512 CA ILE A 103 4.092 -19.303 0.213 1.00 0.00 C ATOM 1513 C ILE A 103 4.061 -20.768 -0.226 1.00 0.00 C ATOM 1514 O ILE A 103 4.882 -21.569 0.218 1.00 0.00 O ATOM 1515 CB ILE A 103 5.492 -18.686 0.200 1.00 0.00 C ATOM 1516 CG1 ILE A 103 5.463 -17.249 0.726 1.00 0.00 C ATOM 1517 CG2 ILE A 103 6.116 -18.773 -1.195 1.00 0.00 C ATOM 1518 CD1 ILE A 103 4.684 -16.334 -0.221 1.00 0.00 C ATOM 0 H ILE A 103 2.614 -18.672 1.557 1.00 0.00 H new ATOM 0 HA ILE A 103 3.514 -18.739 -0.519 1.00 0.00 H new ATOM 0 HB ILE A 103 6.126 -19.263 0.874 1.00 0.00 H new ATOM 0 HG12 ILE A 103 5.005 -17.229 1.715 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.482 -16.879 0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 103 7.111 -18.328 -1.177 1.00 0.00 H new ATOM 0 HG22 ILE A 103 6.192 -19.818 -1.495 1.00 0.00 H new ATOM 0 HG23 ILE A 103 5.490 -18.235 -1.908 1.00 0.00 H new ATOM 0 HD11 ILE A 103 4.679 -15.319 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 103 5.159 -16.337 -1.202 1.00 0.00 H new ATOM 0 HD13 ILE A 103 3.659 -16.693 -0.313 1.00 0.00 H new ATOM 1530 N ARG A 104 3.106 -21.074 -1.091 1.00 0.00 N ATOM 1531 CA ARG A 104 2.958 -22.429 -1.594 1.00 0.00 C ATOM 1532 C ARG A 104 1.803 -22.501 -2.595 1.00 0.00 C ATOM 1533 O ARG A 104 0.827 -21.761 -2.476 1.00 0.00 O ATOM 1534 CB ARG A 104 2.697 -23.415 -0.453 1.00 0.00 C ATOM 1535 CG ARG A 104 3.937 -24.265 -0.170 1.00 0.00 C ATOM 1536 CD ARG A 104 3.544 -25.679 0.266 1.00 0.00 C ATOM 1537 NE ARG A 104 4.751 -26.444 0.651 1.00 0.00 N ATOM 1538 CZ ARG A 104 4.722 -27.621 1.290 1.00 0.00 C ATOM 1539 NH1 ARG A 104 3.547 -28.176 1.619 1.00 0.00 N ATOM 1540 NH2 ARG A 104 5.867 -28.244 1.600 1.00 0.00 N ATOM 0 H ARG A 104 2.427 -20.407 -1.457 1.00 0.00 H new ATOM 0 HA ARG A 104 3.890 -22.702 -2.089 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.413 -22.869 0.447 1.00 0.00 H new ATOM 0 HB3 ARG A 104 1.859 -24.062 -0.711 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.559 -24.316 -1.063 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.536 -23.793 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 104 2.851 -25.630 1.106 1.00 0.00 H new ATOM 0 HD3 ARG A 104 3.025 -26.188 -0.546 1.00 0.00 H new ATOM 0 HE ARG A 104 5.662 -26.050 0.415 1.00 0.00 H new ATOM 0 HH11 ARG A 104 2.675 -27.702 1.383 1.00 0.00 H new ATOM 0 HH12 ARG A 104 3.525 -29.072 2.106 1.00 0.00 H new ATOM 0 HH21 ARG A 104 6.761 -27.822 1.349 1.00 0.00 H new ATOM 0 HH22 ARG A 104 5.844 -29.140 2.087 1.00 0.00 H new ATOM 1554 N GLU A 105 1.951 -23.398 -3.559 1.00 0.00 N ATOM 1555 CA GLU A 105 0.933 -23.575 -4.579 1.00 0.00 C ATOM 1556 C GLU A 105 0.020 -24.750 -4.220 1.00 0.00 C ATOM 1557 O GLU A 105 0.499 -25.841 -3.914 1.00 0.00 O ATOM 1558 CB GLU A 105 1.566 -23.775 -5.958 1.00 0.00 C ATOM 1559 CG GLU A 105 0.507 -23.726 -7.060 1.00 0.00 C ATOM 1560 CD GLU A 105 0.523 -25.010 -7.893 1.00 0.00 C ATOM 1561 OE1 GLU A 105 1.622 -25.590 -8.021 1.00 0.00 O ATOM 1562 OE2 GLU A 105 -0.566 -25.382 -8.382 1.00 0.00 O ATOM 0 H GLU A 105 2.761 -24.010 -3.655 1.00 0.00 H new ATOM 0 HA GLU A 105 0.328 -22.669 -4.621 1.00 0.00 H new ATOM 0 HB2 GLU A 105 2.315 -23.003 -6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 105 2.084 -24.734 -5.989 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -0.479 -23.588 -6.616 1.00 0.00 H new ATOM 0 HG3 GLU A 105 0.688 -22.867 -7.706 1.00 0.00 H new ATOM 1569 N SER A 106 -1.277 -24.486 -4.269 1.00 0.00 N ATOM 1570 CA SER A 106 -2.261 -25.508 -3.953 1.00 0.00 C ATOM 1571 C SER A 106 -3.473 -25.371 -4.876 1.00 0.00 C ATOM 1572 O SER A 106 -4.225 -24.402 -4.780 1.00 0.00 O ATOM 1573 CB SER A 106 -2.696 -25.419 -2.489 1.00 0.00 C ATOM 1574 OG SER A 106 -2.609 -26.679 -1.828 1.00 0.00 O ATOM 0 H SER A 106 -1.670 -23.579 -4.523 1.00 0.00 H new ATOM 0 HA SER A 106 -1.802 -26.484 -4.109 1.00 0.00 H new ATOM 0 HB2 SER A 106 -2.071 -24.693 -1.969 1.00 0.00 H new ATOM 0 HB3 SER A 106 -3.721 -25.053 -2.437 1.00 0.00 H new ATOM 0 HG SER A 106 -2.894 -26.580 -0.896 1.00 0.00 H new ATOM 1580 N GLY A 107 -3.626 -26.355 -5.749 1.00 0.00 N ATOM 1581 CA GLY A 107 -4.734 -26.357 -6.689 1.00 0.00 C ATOM 1582 C GLY A 107 -5.870 -27.257 -6.196 1.00 0.00 C ATOM 1583 O GLY A 107 -5.757 -27.885 -5.145 1.00 0.00 O ATOM 0 H GLY A 107 -3.001 -27.157 -5.825 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -5.103 -25.340 -6.824 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -4.388 -26.702 -7.663 1.00 0.00 H new ATOM 1587 N PRO A 108 -6.965 -27.292 -7.001 1.00 0.00 N ATOM 1588 CA PRO A 108 -8.120 -28.105 -6.658 1.00 0.00 C ATOM 1589 C PRO A 108 -7.842 -29.587 -6.914 1.00 0.00 C ATOM 1590 O PRO A 108 -6.810 -29.940 -7.482 1.00 0.00 O ATOM 1591 CB PRO A 108 -9.253 -27.557 -7.510 1.00 0.00 C ATOM 1592 CG PRO A 108 -8.591 -26.773 -8.631 1.00 0.00 C ATOM 1593 CD PRO A 108 -7.134 -26.562 -8.254 1.00 0.00 C ATOM 0 HA PRO A 108 -8.374 -28.051 -5.599 1.00 0.00 H new ATOM 0 HB2 PRO A 108 -9.868 -28.364 -7.908 1.00 0.00 H new ATOM 0 HB3 PRO A 108 -9.910 -26.917 -6.921 1.00 0.00 H new ATOM 0 HG2 PRO A 108 -8.667 -27.316 -9.573 1.00 0.00 H new ATOM 0 HG3 PRO A 108 -9.091 -25.815 -8.774 1.00 0.00 H new ATOM 0 HD2 PRO A 108 -6.466 -26.942 -9.027 1.00 0.00 H new ATOM 0 HD3 PRO A 108 -6.907 -25.503 -8.129 1.00 0.00 H new ATOM 1601 N SER A 109 -8.782 -30.416 -6.481 1.00 0.00 N ATOM 1602 CA SER A 109 -8.651 -31.852 -6.656 1.00 0.00 C ATOM 1603 C SER A 109 -10.028 -32.516 -6.585 1.00 0.00 C ATOM 1604 O SER A 109 -10.972 -31.939 -6.046 1.00 0.00 O ATOM 1605 CB SER A 109 -7.717 -32.453 -5.604 1.00 0.00 C ATOM 1606 OG SER A 109 -6.402 -31.911 -5.685 1.00 0.00 O ATOM 0 H SER A 109 -9.637 -30.120 -6.010 1.00 0.00 H new ATOM 0 HA SER A 109 -8.215 -32.038 -7.638 1.00 0.00 H new ATOM 0 HB2 SER A 109 -8.124 -32.269 -4.610 1.00 0.00 H new ATOM 0 HB3 SER A 109 -7.672 -33.534 -5.735 1.00 0.00 H new ATOM 0 HG SER A 109 -6.323 -31.363 -6.494 1.00 0.00 H new ATOM 1612 N SER A 110 -10.100 -33.718 -7.136 1.00 0.00 N ATOM 1613 CA SER A 110 -11.345 -34.466 -7.141 1.00 0.00 C ATOM 1614 C SER A 110 -12.460 -33.621 -7.761 1.00 0.00 C ATOM 1615 O SER A 110 -13.164 -32.901 -7.054 1.00 0.00 O ATOM 1616 CB SER A 110 -11.733 -34.901 -5.727 1.00 0.00 C ATOM 1617 OG SER A 110 -11.276 -36.218 -5.429 1.00 0.00 O ATOM 0 H SER A 110 -9.316 -34.193 -7.583 1.00 0.00 H new ATOM 0 HA SER A 110 -11.201 -35.365 -7.741 1.00 0.00 H new ATOM 0 HB2 SER A 110 -11.315 -34.200 -5.005 1.00 0.00 H new ATOM 0 HB3 SER A 110 -12.817 -34.860 -5.620 1.00 0.00 H new ATOM 0 HG SER A 110 -11.542 -36.458 -4.517 1.00 0.00 H new ATOM 1623 N GLY A 111 -12.587 -33.737 -9.075 1.00 0.00 N ATOM 1624 CA GLY A 111 -13.604 -32.993 -9.797 1.00 0.00 C ATOM 1625 C GLY A 111 -14.672 -33.931 -10.362 1.00 0.00 C ATOM 1626 O GLY A 111 -15.373 -33.580 -11.310 1.00 0.00 O ATOM 0 H GLY A 111 -12.002 -34.335 -9.658 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -14.069 -32.266 -9.131 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -13.141 -32.432 -10.609 1.00 0.00 H new TER 1630 GLY A 111