USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 641 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -6:sc= 0.65 USER MOD Single : A 3 SER OG : rot 180:sc=-0.00284 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 9 LYS NZ :NH3+ 155:sc= 1.14 (180deg=0.648) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -2.93! C(o=-2.9!,f=-7.8!) USER MOD Single : A 17 GLN : amide:sc= -3.85! C(o=-3.9!,f=-7.4!) USER MOD Single : A 25 GLN : amide:sc= -0.291 K(o=-0.29,f=1.8) USER MOD Single : A 29 THR OG1 : rot -91:sc= 0.532 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 50 TYR OH : rot -15:sc= 1.76 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.51) USER MOD Single : A 60 ASN : amide:sc= -5.43! C(o=-5.4!,f=-5.2!) USER MOD Single : A 63 GLN : amide:sc= 0.0988 K(o=0.099,f=-0.87) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 68:sc= 1.42 USER MOD Single : A 68 TYR OH : rot 30:sc= -0.955 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -150:sc= 0.0397 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 12.076 20.682 31.749 1.00 0.00 N ATOM 2 CA GLY A 1 11.320 20.812 30.518 1.00 0.00 C ATOM 3 C GLY A 1 9.875 21.201 30.763 1.00 0.00 C ATOM 4 O GLY A 1 9.425 22.257 30.318 1.00 0.00 O ATOM 0 H1 GLY A 1 13.056 20.415 31.528 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.070 21.589 32.257 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.644 19.948 32.346 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.792 21.562 29.883 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.352 19.868 29.974 1.00 0.00 H new ATOM 8 N SER A 2 9.146 20.346 31.472 1.00 0.00 N ATOM 9 CA SER A 2 7.742 20.603 31.772 1.00 0.00 C ATOM 10 C SER A 2 7.007 21.111 30.535 1.00 0.00 C ATOM 11 O SER A 2 6.198 22.035 30.616 1.00 0.00 O ATOM 12 CB SER A 2 7.619 21.622 32.906 1.00 0.00 C ATOM 13 OG SER A 2 8.032 22.909 32.483 1.00 0.00 O ATOM 0 H SER A 2 9.504 19.469 31.850 1.00 0.00 H new ATOM 0 HA SER A 2 7.285 19.664 32.086 1.00 0.00 H new ATOM 0 HB2 SER A 2 6.586 21.664 33.251 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.226 21.302 33.753 1.00 0.00 H new ATOM 0 HG SER A 2 8.405 22.852 31.578 1.00 0.00 H new ATOM 19 N SER A 3 7.295 20.499 29.391 1.00 0.00 N ATOM 20 CA SER A 3 6.665 20.891 28.135 1.00 0.00 C ATOM 21 C SER A 3 5.157 20.671 28.192 1.00 0.00 C ATOM 22 O SER A 3 4.633 20.131 29.166 1.00 0.00 O ATOM 23 CB SER A 3 7.264 20.099 26.971 1.00 0.00 C ATOM 24 OG SER A 3 6.979 20.722 25.730 1.00 0.00 O ATOM 0 H SER A 3 7.960 19.730 29.308 1.00 0.00 H new ATOM 0 HA SER A 3 6.854 21.953 27.978 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.343 20.016 27.101 1.00 0.00 H new ATOM 0 HB3 SER A 3 6.864 19.085 26.973 1.00 0.00 H new ATOM 0 HG SER A 3 7.374 20.198 25.002 1.00 0.00 H new ATOM 30 N GLY A 4 4.463 21.093 27.140 1.00 0.00 N ATOM 31 CA GLY A 4 3.021 20.934 27.089 1.00 0.00 C ATOM 32 C GLY A 4 2.535 20.482 25.726 1.00 0.00 C ATOM 33 O GLY A 4 3.255 19.798 24.999 1.00 0.00 O ATOM 0 H GLY A 4 4.873 21.542 26.322 1.00 0.00 H new ATOM 0 HA2 GLY A 4 2.712 20.208 27.841 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.545 21.880 27.346 1.00 0.00 H new ATOM 37 N SER A 5 1.310 20.864 25.380 1.00 0.00 N ATOM 38 CA SER A 5 0.726 20.488 24.098 1.00 0.00 C ATOM 39 C SER A 5 -0.247 21.557 23.610 1.00 0.00 C ATOM 40 O SER A 5 -0.482 22.556 24.290 1.00 0.00 O ATOM 41 CB SER A 5 0.007 19.143 24.215 1.00 0.00 C ATOM 42 OG SER A 5 -1.002 19.190 25.209 1.00 0.00 O ATOM 0 H SER A 5 0.703 21.434 25.969 1.00 0.00 H new ATOM 0 HA SER A 5 1.534 20.397 23.372 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.436 18.879 23.255 1.00 0.00 H new ATOM 0 HB3 SER A 5 0.727 18.362 24.460 1.00 0.00 H new ATOM 0 HG SER A 5 -1.448 18.319 25.264 1.00 0.00 H new ATOM 48 N SER A 6 -0.810 21.340 22.425 1.00 0.00 N ATOM 49 CA SER A 6 -1.754 22.286 21.843 1.00 0.00 C ATOM 50 C SER A 6 -2.953 21.557 21.243 1.00 0.00 C ATOM 51 O SER A 6 -2.812 20.485 20.657 1.00 0.00 O ATOM 52 CB SER A 6 -1.067 23.130 20.768 1.00 0.00 C ATOM 53 OG SER A 6 -1.891 24.209 20.362 1.00 0.00 O ATOM 0 H SER A 6 -0.628 20.517 21.850 1.00 0.00 H new ATOM 0 HA SER A 6 -2.109 22.942 22.638 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.122 23.515 21.152 1.00 0.00 H new ATOM 0 HB3 SER A 6 -0.830 22.505 19.907 1.00 0.00 H new ATOM 0 HG SER A 6 -1.428 24.734 19.676 1.00 0.00 H new ATOM 59 N GLY A 7 -4.134 22.149 21.395 1.00 0.00 N ATOM 60 CA GLY A 7 -5.341 21.542 20.864 1.00 0.00 C ATOM 61 C GLY A 7 -5.723 22.102 19.508 1.00 0.00 C ATOM 62 O GLY A 7 -6.239 23.214 19.395 1.00 0.00 O ATOM 0 H GLY A 7 -4.276 23.037 21.876 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.196 20.465 20.781 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -6.162 21.700 21.564 1.00 0.00 H new ATOM 66 N PRO A 8 -5.465 21.322 18.448 1.00 0.00 N ATOM 67 CA PRO A 8 -5.776 21.726 17.074 1.00 0.00 C ATOM 68 C PRO A 8 -7.277 21.762 16.806 1.00 0.00 C ATOM 69 O PRO A 8 -7.977 20.767 16.996 1.00 0.00 O ATOM 70 CB PRO A 8 -5.108 20.641 16.225 1.00 0.00 C ATOM 71 CG PRO A 8 -5.042 19.449 17.117 1.00 0.00 C ATOM 72 CD PRO A 8 -4.851 19.985 18.510 1.00 0.00 C ATOM 0 HA PRO A 8 -5.424 22.734 16.856 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -5.686 20.431 15.325 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.114 20.948 15.901 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.956 18.859 17.048 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.217 18.795 16.834 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.337 19.354 19.254 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.796 20.039 18.779 1.00 0.00 H new ATOM 80 N LYS A 9 -7.766 22.916 16.363 1.00 0.00 N ATOM 81 CA LYS A 9 -9.184 23.083 16.066 1.00 0.00 C ATOM 82 C LYS A 9 -9.508 22.586 14.661 1.00 0.00 C ATOM 83 O LYS A 9 -8.653 22.553 13.776 1.00 0.00 O ATOM 84 CB LYS A 9 -9.585 24.553 16.204 1.00 0.00 C ATOM 85 CG LYS A 9 -9.576 25.054 17.638 1.00 0.00 C ATOM 86 CD LYS A 9 -8.232 25.658 18.009 1.00 0.00 C ATOM 87 CE LYS A 9 -7.975 25.570 19.506 1.00 0.00 C ATOM 88 NZ LYS A 9 -6.534 25.757 19.833 1.00 0.00 N ATOM 0 H LYS A 9 -7.201 23.750 16.202 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.752 22.489 16.782 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.905 25.164 15.610 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -10.583 24.689 15.787 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.360 25.800 17.769 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.805 24.230 18.314 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -7.438 25.139 17.471 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -8.201 26.701 17.694 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -8.566 26.328 20.021 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.308 24.600 19.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.442 26.109 20.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.037 24.848 19.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.115 26.445 19.175 1.00 0.00 H new ATOM 102 N PRO A 10 -10.772 22.192 14.449 1.00 0.00 N ATOM 103 CA PRO A 10 -11.238 21.692 13.152 1.00 0.00 C ATOM 104 C PRO A 10 -11.300 22.790 12.096 1.00 0.00 C ATOM 105 O PRO A 10 -12.276 23.538 12.018 1.00 0.00 O ATOM 106 CB PRO A 10 -12.643 21.166 13.458 1.00 0.00 C ATOM 107 CG PRO A 10 -13.086 21.941 14.651 1.00 0.00 C ATOM 108 CD PRO A 10 -11.844 22.204 15.458 1.00 0.00 C ATOM 0 HA PRO A 10 -10.566 20.939 12.741 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.316 21.319 12.614 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.629 20.096 13.664 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -13.564 22.875 14.354 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.817 21.379 15.232 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -11.897 23.161 15.976 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.689 21.438 16.218 1.00 0.00 H new ATOM 116 N LEU A 11 -10.253 22.882 11.283 1.00 0.00 N ATOM 117 CA LEU A 11 -10.189 23.890 10.230 1.00 0.00 C ATOM 118 C LEU A 11 -10.117 23.235 8.854 1.00 0.00 C ATOM 119 O LEU A 11 -9.911 22.027 8.739 1.00 0.00 O ATOM 120 CB LEU A 11 -8.975 24.797 10.439 1.00 0.00 C ATOM 121 CG LEU A 11 -9.135 26.247 9.981 1.00 0.00 C ATOM 122 CD1 LEU A 11 -10.222 26.944 10.783 1.00 0.00 C ATOM 123 CD2 LEU A 11 -7.815 26.995 10.106 1.00 0.00 C ATOM 0 H LEU A 11 -9.437 22.271 11.333 1.00 0.00 H new ATOM 0 HA LEU A 11 -11.097 24.491 10.280 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.725 24.797 11.500 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.126 24.362 9.912 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.431 26.245 8.932 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.321 27.975 10.443 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.169 26.423 10.642 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.957 26.935 11.840 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -7.948 28.025 9.776 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.489 26.987 11.146 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.062 26.509 9.486 1.00 0.00 H new ATOM 135 N LYS A 12 -10.287 24.041 7.811 1.00 0.00 N ATOM 136 CA LYS A 12 -10.239 23.542 6.442 1.00 0.00 C ATOM 137 C LYS A 12 -9.263 22.377 6.322 1.00 0.00 C ATOM 138 O LYS A 12 -9.624 21.298 5.852 1.00 0.00 O ATOM 139 CB LYS A 12 -9.832 24.663 5.483 1.00 0.00 C ATOM 140 CG LYS A 12 -11.008 25.455 4.938 1.00 0.00 C ATOM 141 CD LYS A 12 -11.337 26.646 5.823 1.00 0.00 C ATOM 142 CE LYS A 12 -10.309 27.755 5.669 1.00 0.00 C ATOM 143 NZ LYS A 12 -10.198 28.584 6.901 1.00 0.00 N ATOM 0 H LYS A 12 -10.459 25.043 7.888 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.235 23.188 6.176 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.155 25.343 5.999 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.277 24.233 4.649 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.779 25.802 3.930 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.880 24.806 4.861 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.326 27.027 5.569 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.376 26.327 6.865 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.337 27.320 5.436 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -10.584 28.391 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.487 29.329 6.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -11.119 29.020 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -9.911 27.983 7.699 1.00 0.00 H new ATOM 157 N ASN A 13 -8.025 22.601 6.750 1.00 0.00 N ATOM 158 CA ASN A 13 -6.997 21.568 6.691 1.00 0.00 C ATOM 159 C ASN A 13 -7.498 20.265 7.306 1.00 0.00 C ATOM 160 O ASN A 13 -8.646 20.174 7.745 1.00 0.00 O ATOM 161 CB ASN A 13 -5.733 22.035 7.416 1.00 0.00 C ATOM 162 CG ASN A 13 -4.494 21.293 6.954 1.00 0.00 C ATOM 163 OD1 ASN A 13 -3.914 20.504 7.702 1.00 0.00 O ATOM 164 ND2 ASN A 13 -4.081 21.543 5.717 1.00 0.00 N ATOM 0 H ASN A 13 -7.709 23.488 7.141 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.760 21.386 5.643 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -5.596 23.104 7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -5.859 21.893 8.489 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -3.252 21.074 5.351 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -4.592 22.204 5.132 1.00 0.00 H new ATOM 171 N LEU A 14 -6.631 19.259 7.336 1.00 0.00 N ATOM 172 CA LEU A 14 -6.985 17.961 7.899 1.00 0.00 C ATOM 173 C LEU A 14 -8.196 17.370 7.185 1.00 0.00 C ATOM 174 O LEU A 14 -9.118 16.861 7.823 1.00 0.00 O ATOM 175 CB LEU A 14 -7.274 18.093 9.395 1.00 0.00 C ATOM 176 CG LEU A 14 -6.067 17.972 10.326 1.00 0.00 C ATOM 177 CD1 LEU A 14 -5.425 16.600 10.191 1.00 0.00 C ATOM 178 CD2 LEU A 14 -5.054 19.068 10.031 1.00 0.00 C ATOM 0 H LEU A 14 -5.678 19.317 6.977 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.139 17.288 7.757 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -7.746 19.060 9.569 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.000 17.329 9.673 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.411 18.090 11.353 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.568 16.532 10.861 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.152 15.831 10.452 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.095 16.452 9.163 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.202 18.966 10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.715 18.981 8.999 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.519 20.043 10.180 1.00 0.00 H new ATOM 190 N ASP A 15 -8.186 17.438 5.859 1.00 0.00 N ATOM 191 CA ASP A 15 -9.282 16.907 5.057 1.00 0.00 C ATOM 192 C ASP A 15 -9.511 15.430 5.361 1.00 0.00 C ATOM 193 O ASP A 15 -10.649 14.981 5.490 1.00 0.00 O ATOM 194 CB ASP A 15 -8.991 17.095 3.567 1.00 0.00 C ATOM 195 CG ASP A 15 -9.113 18.542 3.132 1.00 0.00 C ATOM 196 OD1 ASP A 15 -10.190 19.136 3.342 1.00 0.00 O ATOM 197 OD2 ASP A 15 -8.130 19.080 2.580 1.00 0.00 O ATOM 0 H ASP A 15 -7.430 17.856 5.316 1.00 0.00 H new ATOM 0 HA ASP A 15 -10.187 17.457 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.985 16.736 3.348 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.681 16.484 2.985 1.00 0.00 H new ATOM 202 N GLY A 16 -8.420 14.678 5.473 1.00 0.00 N ATOM 203 CA GLY A 16 -8.524 13.259 5.759 1.00 0.00 C ATOM 204 C GLY A 16 -7.404 12.456 5.127 1.00 0.00 C ATOM 205 O GLY A 16 -6.896 11.510 5.727 1.00 0.00 O ATOM 0 H GLY A 16 -7.467 15.026 5.371 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.511 13.107 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.482 12.888 5.396 1.00 0.00 H new ATOM 209 N GLN A 17 -7.020 12.835 3.912 1.00 0.00 N ATOM 210 CA GLN A 17 -5.955 12.141 3.198 1.00 0.00 C ATOM 211 C GLN A 17 -4.857 11.693 4.157 1.00 0.00 C ATOM 212 O GLN A 17 -4.254 10.635 3.977 1.00 0.00 O ATOM 213 CB GLN A 17 -5.364 13.047 2.116 1.00 0.00 C ATOM 214 CG GLN A 17 -6.349 13.401 1.014 1.00 0.00 C ATOM 215 CD GLN A 17 -6.994 12.178 0.392 1.00 0.00 C ATOM 216 OE1 GLN A 17 -6.502 11.059 0.542 1.00 0.00 O ATOM 217 NE2 GLN A 17 -8.101 12.385 -0.311 1.00 0.00 N ATOM 0 H GLN A 17 -7.430 13.618 3.402 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.384 11.256 2.728 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -5.005 13.966 2.580 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.499 12.554 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.125 14.049 1.420 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -5.833 13.968 0.239 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -8.474 13.329 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -8.579 11.600 -0.753 1.00 0.00 H new ATOM 226 N PHE A 18 -4.603 12.506 5.178 1.00 0.00 N ATOM 227 CA PHE A 18 -3.577 12.194 6.166 1.00 0.00 C ATOM 228 C PHE A 18 -3.766 10.784 6.720 1.00 0.00 C ATOM 229 O PHE A 18 -4.793 10.475 7.324 1.00 0.00 O ATOM 230 CB PHE A 18 -3.612 13.211 7.308 1.00 0.00 C ATOM 231 CG PHE A 18 -3.372 14.624 6.859 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.418 15.406 6.396 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.099 15.171 6.900 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.200 16.707 5.983 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.875 16.471 6.488 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.927 17.240 6.028 1.00 0.00 C ATOM 0 H PHE A 18 -5.093 13.385 5.342 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.606 12.245 5.673 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.581 13.155 7.804 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.859 12.940 8.048 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.416 14.994 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.273 14.575 7.258 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -5.024 17.306 5.625 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.878 16.886 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.754 18.256 5.704 1.00 0.00 H new ATOM 246 N CYS A 19 -2.767 9.933 6.509 1.00 0.00 N ATOM 247 CA CYS A 19 -2.822 8.556 6.985 1.00 0.00 C ATOM 248 C CYS A 19 -3.270 8.502 8.442 1.00 0.00 C ATOM 249 O CYS A 19 -3.022 9.429 9.213 1.00 0.00 O ATOM 250 CB CYS A 19 -1.454 7.889 6.835 1.00 0.00 C ATOM 251 SG CYS A 19 -1.361 6.215 7.549 1.00 0.00 S ATOM 0 H CYS A 19 -1.910 10.173 6.011 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.550 8.017 6.380 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.202 7.835 5.776 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.701 8.518 7.310 1.00 0.00 H new ATOM 256 N GLU A 20 -3.930 7.409 8.813 1.00 0.00 N ATOM 257 CA GLU A 20 -4.412 7.235 10.178 1.00 0.00 C ATOM 258 C GLU A 20 -3.514 6.276 10.954 1.00 0.00 C ATOM 259 O GLU A 20 -3.230 6.491 12.133 1.00 0.00 O ATOM 260 CB GLU A 20 -5.850 6.712 10.171 1.00 0.00 C ATOM 261 CG GLU A 20 -6.896 7.808 10.058 1.00 0.00 C ATOM 262 CD GLU A 20 -7.277 8.392 11.405 1.00 0.00 C ATOM 263 OE1 GLU A 20 -7.350 7.621 12.385 1.00 0.00 O ATOM 264 OE2 GLU A 20 -7.503 9.617 11.478 1.00 0.00 O ATOM 0 H GLU A 20 -4.143 6.632 8.188 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.388 8.207 10.671 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -5.971 6.019 9.339 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.026 6.146 11.086 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.516 8.603 9.416 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.787 7.406 9.575 1.00 0.00 H new ATOM 271 N ILE A 21 -3.071 5.217 10.284 1.00 0.00 N ATOM 272 CA ILE A 21 -2.205 4.225 10.910 1.00 0.00 C ATOM 273 C ILE A 21 -1.066 4.893 11.673 1.00 0.00 C ATOM 274 O ILE A 21 -0.952 4.752 12.890 1.00 0.00 O ATOM 275 CB ILE A 21 -1.613 3.257 9.869 1.00 0.00 C ATOM 276 CG1 ILE A 21 -2.733 2.556 9.098 1.00 0.00 C ATOM 277 CG2 ILE A 21 -0.710 2.238 10.547 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.255 1.845 7.851 1.00 0.00 C ATOM 0 H ILE A 21 -3.297 5.024 9.308 1.00 0.00 H new ATOM 0 HA ILE A 21 -2.824 3.661 11.607 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.014 3.829 9.161 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.218 1.834 9.755 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.488 3.292 8.820 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.299 1.561 9.798 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.104 2.755 11.055 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.287 1.667 11.274 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.102 1.371 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.796 2.566 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.522 1.085 8.124 1.00 0.00 H new ATOM 290 N CYS A 22 -0.225 5.623 10.948 1.00 0.00 N ATOM 291 CA CYS A 22 0.906 6.316 11.554 1.00 0.00 C ATOM 292 C CYS A 22 0.583 7.790 11.782 1.00 0.00 C ATOM 293 O CYS A 22 0.870 8.342 12.843 1.00 0.00 O ATOM 294 CB CYS A 22 2.146 6.185 10.668 1.00 0.00 C ATOM 295 SG CYS A 22 2.038 7.102 9.098 1.00 0.00 S ATOM 0 H CYS A 22 -0.305 5.750 9.939 1.00 0.00 H new ATOM 0 HA CYS A 22 1.108 5.853 12.520 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.015 6.538 11.223 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.314 5.130 10.450 1.00 0.00 H new ATOM 300 N GLY A 23 -0.017 8.420 10.777 1.00 0.00 N ATOM 301 CA GLY A 23 -0.369 9.824 10.886 1.00 0.00 C ATOM 302 C GLY A 23 0.148 10.644 9.721 1.00 0.00 C ATOM 303 O GLY A 23 -0.556 11.510 9.202 1.00 0.00 O ATOM 0 H GLY A 23 -0.266 7.984 9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.453 9.920 10.941 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.034 10.225 11.816 1.00 0.00 H new ATOM 307 N ASP A 24 1.382 10.374 9.311 1.00 0.00 N ATOM 308 CA ASP A 24 1.994 11.094 8.200 1.00 0.00 C ATOM 309 C ASP A 24 0.962 11.405 7.120 1.00 0.00 C ATOM 310 O ASP A 24 -0.044 10.707 6.991 1.00 0.00 O ATOM 311 CB ASP A 24 3.142 10.277 7.606 1.00 0.00 C ATOM 312 CG ASP A 24 4.320 10.159 8.553 1.00 0.00 C ATOM 313 OD1 ASP A 24 4.090 10.076 9.778 1.00 0.00 O ATOM 314 OD2 ASP A 24 5.471 10.148 8.069 1.00 0.00 O ATOM 0 H ASP A 24 1.979 9.662 9.731 1.00 0.00 H new ATOM 0 HA ASP A 24 2.388 12.036 8.582 1.00 0.00 H new ATOM 0 HB2 ASP A 24 2.782 9.280 7.353 1.00 0.00 H new ATOM 0 HB3 ASP A 24 3.472 10.742 6.677 1.00 0.00 H new ATOM 319 N GLN A 25 1.219 12.457 6.349 1.00 0.00 N ATOM 320 CA GLN A 25 0.311 12.860 5.282 1.00 0.00 C ATOM 321 C GLN A 25 0.522 12.007 4.036 1.00 0.00 C ATOM 322 O GLN A 25 1.596 12.026 3.434 1.00 0.00 O ATOM 323 CB GLN A 25 0.514 14.338 4.943 1.00 0.00 C ATOM 324 CG GLN A 25 -0.352 14.823 3.791 1.00 0.00 C ATOM 325 CD GLN A 25 -0.031 16.246 3.379 1.00 0.00 C ATOM 326 OE1 GLN A 25 -0.649 17.197 3.858 1.00 0.00 O ATOM 327 NE2 GLN A 25 0.939 16.399 2.485 1.00 0.00 N ATOM 0 H GLN A 25 2.047 13.045 6.443 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.710 12.711 5.633 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.297 14.938 5.827 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.562 14.504 4.694 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.216 14.162 2.935 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.401 14.760 4.079 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.425 15.582 2.115 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.198 17.333 2.169 1.00 0.00 H new ATOM 336 N ILE A 26 -0.509 11.260 3.655 1.00 0.00 N ATOM 337 CA ILE A 26 -0.436 10.401 2.480 1.00 0.00 C ATOM 338 C ILE A 26 -0.059 11.200 1.237 1.00 0.00 C ATOM 339 O ILE A 26 -0.903 11.857 0.629 1.00 0.00 O ATOM 340 CB ILE A 26 -1.772 9.679 2.226 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.140 8.805 3.427 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.689 8.840 0.960 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.515 8.183 3.323 1.00 0.00 C ATOM 0 H ILE A 26 -1.404 11.233 4.143 1.00 0.00 H new ATOM 0 HA ILE A 26 0.337 9.659 2.680 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.553 10.428 2.091 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.399 8.013 3.530 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.090 9.408 4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.641 8.336 0.794 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.467 9.485 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.899 8.097 1.067 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.708 7.577 4.208 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.266 8.970 3.251 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.563 7.553 2.435 1.00 0.00 H new ATOM 355 N GLY A 27 1.216 11.137 0.863 1.00 0.00 N ATOM 356 CA GLY A 27 1.682 11.858 -0.307 1.00 0.00 C ATOM 357 C GLY A 27 0.942 11.458 -1.567 1.00 0.00 C ATOM 358 O GLY A 27 -0.210 11.026 -1.509 1.00 0.00 O ATOM 0 H GLY A 27 1.934 10.600 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.561 12.929 -0.142 1.00 0.00 H new ATOM 0 HA3 GLY A 27 2.748 11.675 -0.442 1.00 0.00 H new ATOM 362 N LEU A 28 1.602 11.604 -2.711 1.00 0.00 N ATOM 363 CA LEU A 28 0.999 11.256 -3.993 1.00 0.00 C ATOM 364 C LEU A 28 1.583 9.956 -4.535 1.00 0.00 C ATOM 365 O LEU A 28 2.703 9.574 -4.191 1.00 0.00 O ATOM 366 CB LEU A 28 1.213 12.385 -5.002 1.00 0.00 C ATOM 367 CG LEU A 28 0.647 13.751 -4.612 1.00 0.00 C ATOM 368 CD1 LEU A 28 0.997 14.793 -5.663 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.861 13.668 -4.422 1.00 0.00 C ATOM 0 H LEU A 28 2.555 11.961 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.070 11.114 -3.837 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.284 12.494 -5.174 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.767 12.087 -5.951 1.00 0.00 H new ATOM 0 HG LEU A 28 1.097 14.053 -3.666 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.586 15.759 -5.369 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.081 14.871 -5.751 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.575 14.497 -6.624 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.247 14.649 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.328 13.344 -5.352 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.089 12.952 -3.633 1.00 0.00 H new ATOM 381 N THR A 29 0.819 9.279 -5.386 1.00 0.00 N ATOM 382 CA THR A 29 1.261 8.022 -5.977 1.00 0.00 C ATOM 383 C THR A 29 2.443 8.241 -6.914 1.00 0.00 C ATOM 384 O THR A 29 2.736 9.370 -7.308 1.00 0.00 O ATOM 385 CB THR A 29 0.123 7.336 -6.756 1.00 0.00 C ATOM 386 OG1 THR A 29 -0.214 8.110 -7.913 1.00 0.00 O ATOM 387 CG2 THR A 29 -1.108 7.166 -5.878 1.00 0.00 C ATOM 0 H THR A 29 -0.110 9.580 -5.682 1.00 0.00 H new ATOM 0 HA THR A 29 1.568 7.377 -5.154 1.00 0.00 H new ATOM 0 HB THR A 29 0.468 6.350 -7.066 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.923 8.747 -7.685 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.898 6.679 -6.450 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.856 6.553 -5.013 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.453 8.144 -5.542 1.00 0.00 H new ATOM 395 N VAL A 30 3.120 7.153 -7.270 1.00 0.00 N ATOM 396 CA VAL A 30 4.270 7.226 -8.163 1.00 0.00 C ATOM 397 C VAL A 30 4.021 8.212 -9.299 1.00 0.00 C ATOM 398 O VAL A 30 4.920 8.952 -9.699 1.00 0.00 O ATOM 399 CB VAL A 30 4.606 5.847 -8.760 1.00 0.00 C ATOM 400 CG1 VAL A 30 5.877 5.919 -9.591 1.00 0.00 C ATOM 401 CG2 VAL A 30 4.739 4.808 -7.657 1.00 0.00 C ATOM 0 H VAL A 30 2.891 6.211 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 30 5.114 7.570 -7.565 1.00 0.00 H new ATOM 0 HB VAL A 30 3.789 5.546 -9.416 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.098 4.935 -10.004 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.740 6.632 -10.404 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.706 6.242 -8.961 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.977 3.839 -8.096 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.536 5.102 -6.974 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.800 4.737 -7.109 1.00 0.00 H new ATOM 411 N GLU A 31 2.796 8.217 -9.815 1.00 0.00 N ATOM 412 CA GLU A 31 2.430 9.112 -10.905 1.00 0.00 C ATOM 413 C GLU A 31 2.116 10.510 -10.380 1.00 0.00 C ATOM 414 O GLU A 31 2.674 11.501 -10.849 1.00 0.00 O ATOM 415 CB GLU A 31 1.223 8.559 -11.666 1.00 0.00 C ATOM 416 CG GLU A 31 1.564 7.402 -12.590 1.00 0.00 C ATOM 417 CD GLU A 31 0.335 6.648 -13.059 1.00 0.00 C ATOM 418 OE1 GLU A 31 -0.344 6.034 -12.209 1.00 0.00 O ATOM 419 OE2 GLU A 31 0.052 6.672 -14.275 1.00 0.00 O ATOM 0 H GLU A 31 2.040 7.611 -9.495 1.00 0.00 H new ATOM 0 HA GLU A 31 3.279 9.180 -11.585 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.471 8.230 -10.948 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.775 9.361 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 31 2.105 7.781 -13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 31 2.232 6.714 -12.073 1.00 0.00 H new ATOM 426 N GLY A 32 1.217 10.581 -9.402 1.00 0.00 N ATOM 427 CA GLY A 32 0.844 11.861 -8.829 1.00 0.00 C ATOM 428 C GLY A 32 -0.537 11.835 -8.204 1.00 0.00 C ATOM 429 O GLY A 32 -0.853 12.661 -7.347 1.00 0.00 O ATOM 0 H GLY A 32 0.741 9.775 -8.997 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.576 12.145 -8.073 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.874 12.626 -9.605 1.00 0.00 H new ATOM 433 N ASP A 33 -1.362 10.887 -8.635 1.00 0.00 N ATOM 434 CA ASP A 33 -2.717 10.758 -8.112 1.00 0.00 C ATOM 435 C ASP A 33 -2.696 10.337 -6.646 1.00 0.00 C ATOM 436 O ASP A 33 -1.755 9.687 -6.189 1.00 0.00 O ATOM 437 CB ASP A 33 -3.510 9.742 -8.936 1.00 0.00 C ATOM 438 CG ASP A 33 -3.375 9.976 -10.428 1.00 0.00 C ATOM 439 OD1 ASP A 33 -3.820 11.041 -10.904 1.00 0.00 O ATOM 440 OD2 ASP A 33 -2.826 9.093 -11.120 1.00 0.00 O ATOM 0 H ASP A 33 -1.116 10.197 -9.345 1.00 0.00 H new ATOM 0 HA ASP A 33 -3.202 11.731 -8.185 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -3.166 8.736 -8.696 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.562 9.794 -8.657 1.00 0.00 H new ATOM 445 N LEU A 34 -3.739 10.711 -5.913 1.00 0.00 N ATOM 446 CA LEU A 34 -3.841 10.373 -4.498 1.00 0.00 C ATOM 447 C LEU A 34 -3.696 8.870 -4.285 1.00 0.00 C ATOM 448 O LEU A 34 -4.390 8.073 -4.918 1.00 0.00 O ATOM 449 CB LEU A 34 -5.179 10.854 -3.933 1.00 0.00 C ATOM 450 CG LEU A 34 -5.227 11.080 -2.422 1.00 0.00 C ATOM 451 CD1 LEU A 34 -5.278 9.751 -1.685 1.00 0.00 C ATOM 452 CD2 LEU A 34 -4.028 11.898 -1.966 1.00 0.00 C ATOM 0 H LEU A 34 -4.526 11.249 -6.276 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.030 10.875 -3.971 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.445 11.788 -4.428 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.945 10.124 -4.196 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.133 11.638 -2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.312 9.932 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.169 9.201 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.390 9.167 -1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.079 12.049 -0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.109 11.367 -2.215 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.035 12.865 -2.468 1.00 0.00 H new ATOM 464 N PHE A 35 -2.792 8.488 -3.389 1.00 0.00 N ATOM 465 CA PHE A 35 -2.557 7.080 -3.092 1.00 0.00 C ATOM 466 C PHE A 35 -3.702 6.500 -2.266 1.00 0.00 C ATOM 467 O PHE A 35 -3.656 6.499 -1.036 1.00 0.00 O ATOM 468 CB PHE A 35 -1.235 6.909 -2.342 1.00 0.00 C ATOM 469 CG PHE A 35 -0.930 5.483 -1.983 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.223 4.671 -2.855 1.00 0.00 C ATOM 471 CD2 PHE A 35 -1.349 4.954 -0.772 1.00 0.00 C ATOM 472 CE1 PHE A 35 0.058 3.358 -2.527 1.00 0.00 C ATOM 473 CE2 PHE A 35 -1.070 3.642 -0.439 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.365 2.843 -1.317 1.00 0.00 C ATOM 0 H PHE A 35 -2.210 9.134 -2.856 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.503 6.539 -4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.425 7.302 -2.956 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.263 7.507 -1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.112 5.068 -3.802 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.900 5.574 -0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.608 2.735 -3.217 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -1.403 3.242 0.507 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.145 1.818 -1.058 1.00 0.00 H new ATOM 484 N VAL A 36 -4.730 6.010 -2.952 1.00 0.00 N ATOM 485 CA VAL A 36 -5.887 5.427 -2.284 1.00 0.00 C ATOM 486 C VAL A 36 -5.633 3.969 -1.916 1.00 0.00 C ATOM 487 O VAL A 36 -5.855 3.067 -2.723 1.00 0.00 O ATOM 488 CB VAL A 36 -7.146 5.510 -3.166 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.327 4.844 -2.477 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.464 6.959 -3.505 1.00 0.00 C ATOM 0 H VAL A 36 -4.785 6.005 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.051 6.005 -1.375 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.952 4.977 -4.097 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -9.207 4.913 -3.116 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -8.095 3.795 -2.290 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.526 5.346 -1.530 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -8.357 6.999 -4.129 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.638 7.518 -2.586 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.625 7.399 -4.044 1.00 0.00 H new ATOM 500 N ALA A 37 -5.166 3.746 -0.692 1.00 0.00 N ATOM 501 CA ALA A 37 -4.883 2.397 -0.216 1.00 0.00 C ATOM 502 C ALA A 37 -6.145 1.541 -0.213 1.00 0.00 C ATOM 503 O ALA A 37 -6.120 0.378 -0.617 1.00 0.00 O ATOM 504 CB ALA A 37 -4.272 2.446 1.176 1.00 0.00 C ATOM 0 H ALA A 37 -4.976 4.482 -0.012 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.167 1.940 -0.899 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.066 1.432 1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.343 3.015 1.146 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.969 2.926 1.863 1.00 0.00 H new ATOM 510 N CYS A 38 -7.248 2.123 0.247 1.00 0.00 N ATOM 511 CA CYS A 38 -8.520 1.413 0.305 1.00 0.00 C ATOM 512 C CYS A 38 -9.628 2.229 -0.355 1.00 0.00 C ATOM 513 O CYS A 38 -9.634 3.457 -0.286 1.00 0.00 O ATOM 514 CB CYS A 38 -8.892 1.108 1.757 1.00 0.00 C ATOM 515 SG CYS A 38 -10.338 0.015 1.941 1.00 0.00 S ATOM 0 H CYS A 38 -7.286 3.085 0.585 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.410 0.475 -0.239 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.037 0.647 2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.091 2.046 2.275 1.00 0.00 H new ATOM 520 N ASN A 39 -10.565 1.536 -0.994 1.00 0.00 N ATOM 521 CA ASN A 39 -11.678 2.195 -1.667 1.00 0.00 C ATOM 522 C ASN A 39 -13.012 1.758 -1.068 1.00 0.00 C ATOM 523 O ASN A 39 -13.911 2.574 -0.870 1.00 0.00 O ATOM 524 CB ASN A 39 -11.653 1.885 -3.165 1.00 0.00 C ATOM 525 CG ASN A 39 -12.925 2.318 -3.867 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.445 3.406 -3.619 1.00 0.00 O ATOM 527 ND2 ASN A 39 -13.433 1.466 -4.750 1.00 0.00 N ATOM 0 H ASN A 39 -10.576 0.518 -1.060 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.570 3.270 -1.524 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.800 2.386 -3.623 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.508 0.814 -3.309 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.288 1.703 -5.254 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.969 0.575 -4.924 1.00 0.00 H new ATOM 534 N GLU A 40 -13.131 0.465 -0.783 1.00 0.00 N ATOM 535 CA GLU A 40 -14.355 -0.080 -0.207 1.00 0.00 C ATOM 536 C GLU A 40 -14.886 0.827 0.899 1.00 0.00 C ATOM 537 O GLU A 40 -16.002 1.341 0.814 1.00 0.00 O ATOM 538 CB GLU A 40 -14.103 -1.484 0.346 1.00 0.00 C ATOM 539 CG GLU A 40 -15.334 -2.374 0.332 1.00 0.00 C ATOM 540 CD GLU A 40 -15.504 -3.115 -0.981 1.00 0.00 C ATOM 541 OE1 GLU A 40 -14.482 -3.373 -1.652 1.00 0.00 O ATOM 542 OE2 GLU A 40 -16.657 -3.436 -1.337 1.00 0.00 O ATOM 0 H GLU A 40 -12.396 -0.224 -0.941 1.00 0.00 H new ATOM 0 HA GLU A 40 -15.104 -0.138 -0.997 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.315 -1.959 -0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -13.736 -1.402 1.369 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -15.265 -3.096 1.146 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -16.219 -1.766 0.519 1.00 0.00 H new ATOM 549 N CYS A 41 -14.080 1.018 1.938 1.00 0.00 N ATOM 550 CA CYS A 41 -14.467 1.861 3.062 1.00 0.00 C ATOM 551 C CYS A 41 -13.822 3.240 2.956 1.00 0.00 C ATOM 552 O CYS A 41 -14.434 4.251 3.297 1.00 0.00 O ATOM 553 CB CYS A 41 -14.069 1.199 4.383 1.00 0.00 C ATOM 554 SG CYS A 41 -12.323 1.445 4.841 1.00 0.00 S ATOM 0 H CYS A 41 -13.154 0.600 2.025 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.550 1.984 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.701 1.592 5.179 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.269 0.130 4.316 1.00 0.00 H new ATOM 559 N GLY A 42 -12.580 3.271 2.481 1.00 0.00 N ATOM 560 CA GLY A 42 -11.872 4.530 2.338 1.00 0.00 C ATOM 561 C GLY A 42 -10.984 4.833 3.528 1.00 0.00 C ATOM 562 O GLY A 42 -10.987 5.950 4.046 1.00 0.00 O ATOM 0 H GLY A 42 -12.052 2.447 2.193 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.265 4.501 1.433 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.594 5.337 2.212 1.00 0.00 H new ATOM 566 N PHE A 43 -10.221 3.836 3.964 1.00 0.00 N ATOM 567 CA PHE A 43 -9.325 4.001 5.102 1.00 0.00 C ATOM 568 C PHE A 43 -8.005 4.631 4.668 1.00 0.00 C ATOM 569 O PHE A 43 -7.325 4.148 3.762 1.00 0.00 O ATOM 570 CB PHE A 43 -9.062 2.650 5.771 1.00 0.00 C ATOM 571 CG PHE A 43 -8.286 2.756 7.053 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.778 3.496 8.117 1.00 0.00 C ATOM 573 CD2 PHE A 43 -7.065 2.117 7.194 1.00 0.00 C ATOM 574 CE1 PHE A 43 -8.065 3.596 9.296 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.348 2.213 8.372 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.849 2.953 9.425 1.00 0.00 C ATOM 0 H PHE A 43 -10.205 2.906 3.546 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.807 4.666 5.818 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -10.015 2.162 5.972 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.516 2.010 5.077 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.729 4.000 8.023 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.669 1.537 6.374 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.458 4.177 10.117 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.397 1.710 8.469 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.292 3.029 10.347 1.00 0.00 H new ATOM 586 N PRO A 44 -7.632 5.737 5.330 1.00 0.00 N ATOM 587 CA PRO A 44 -6.391 6.458 5.031 1.00 0.00 C ATOM 588 C PRO A 44 -5.151 5.674 5.445 1.00 0.00 C ATOM 589 O PRO A 44 -4.961 5.370 6.622 1.00 0.00 O ATOM 590 CB PRO A 44 -6.516 7.738 5.860 1.00 0.00 C ATOM 591 CG PRO A 44 -7.428 7.376 6.981 1.00 0.00 C ATOM 592 CD PRO A 44 -8.393 6.368 6.421 1.00 0.00 C ATOM 0 HA PRO A 44 -6.270 6.636 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.545 8.066 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -6.924 8.556 5.266 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -6.870 6.958 7.819 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -7.954 8.254 7.355 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.695 5.640 7.174 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.303 6.843 6.054 1.00 0.00 H new ATOM 600 N ALA A 45 -4.308 5.349 4.470 1.00 0.00 N ATOM 601 CA ALA A 45 -3.085 4.603 4.734 1.00 0.00 C ATOM 602 C ALA A 45 -2.009 4.928 3.703 1.00 0.00 C ATOM 603 O ALA A 45 -2.137 4.585 2.528 1.00 0.00 O ATOM 604 CB ALA A 45 -3.370 3.108 4.747 1.00 0.00 C ATOM 0 H ALA A 45 -4.451 5.591 3.490 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.714 4.900 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.447 2.563 4.945 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.099 2.883 5.526 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.769 2.805 3.779 1.00 0.00 H new ATOM 610 N CYS A 46 -0.949 5.594 4.151 1.00 0.00 N ATOM 611 CA CYS A 46 0.149 5.967 3.267 1.00 0.00 C ATOM 612 C CYS A 46 0.699 4.746 2.538 1.00 0.00 C ATOM 613 O CYS A 46 0.194 3.634 2.697 1.00 0.00 O ATOM 614 CB CYS A 46 1.265 6.645 4.065 1.00 0.00 C ATOM 615 SG CYS A 46 1.960 5.612 5.395 1.00 0.00 S ATOM 0 H CYS A 46 -0.828 5.886 5.121 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.236 6.667 2.526 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.066 6.927 3.382 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.878 7.567 4.500 1.00 0.00 H new ATOM 620 N ARG A 47 1.738 4.960 1.737 1.00 0.00 N ATOM 621 CA ARG A 47 2.357 3.878 0.982 1.00 0.00 C ATOM 622 C ARG A 47 3.089 2.915 1.912 1.00 0.00 C ATOM 623 O ARG A 47 2.886 1.701 1.874 1.00 0.00 O ATOM 624 CB ARG A 47 3.332 4.442 -0.054 1.00 0.00 C ATOM 625 CG ARG A 47 4.157 3.377 -0.758 1.00 0.00 C ATOM 626 CD ARG A 47 4.637 3.854 -2.119 1.00 0.00 C ATOM 627 NE ARG A 47 5.525 5.008 -2.013 1.00 0.00 N ATOM 628 CZ ARG A 47 6.833 4.912 -1.798 1.00 0.00 C ATOM 629 NH1 ARG A 47 7.401 3.721 -1.668 1.00 0.00 N ATOM 630 NH2 ARG A 47 7.575 6.009 -1.713 1.00 0.00 N ATOM 0 H ARG A 47 2.169 5.874 1.594 1.00 0.00 H new ATOM 0 HA ARG A 47 1.567 3.330 0.468 1.00 0.00 H new ATOM 0 HB2 ARG A 47 2.771 5.006 -0.799 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.005 5.145 0.438 1.00 0.00 H new ATOM 0 HG2 ARG A 47 5.015 3.113 -0.140 1.00 0.00 H new ATOM 0 HG3 ARG A 47 3.560 2.473 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 47 5.158 3.041 -2.625 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.777 4.114 -2.736 1.00 0.00 H new ATOM 0 HE ARG A 47 5.119 5.939 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 47 6.834 2.876 -1.733 1.00 0.00 H new ATOM 0 HH12 ARG A 47 8.405 3.650 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.142 6.927 -1.813 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.579 5.934 -1.548 1.00 0.00 H new ATOM 644 N PRO A 48 3.961 3.467 2.769 1.00 0.00 N ATOM 645 CA PRO A 48 4.740 2.675 3.725 1.00 0.00 C ATOM 646 C PRO A 48 3.873 2.088 4.834 1.00 0.00 C ATOM 647 O PRO A 48 4.380 1.654 5.869 1.00 0.00 O ATOM 648 CB PRO A 48 5.730 3.690 4.302 1.00 0.00 C ATOM 649 CG PRO A 48 5.061 5.010 4.134 1.00 0.00 C ATOM 650 CD PRO A 48 4.253 4.907 2.870 1.00 0.00 C ATOM 0 HA PRO A 48 5.215 1.816 3.251 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.941 3.484 5.351 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.682 3.659 3.773 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.422 5.235 4.988 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.795 5.813 4.064 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.340 5.499 2.927 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.812 5.265 2.005 1.00 0.00 H new ATOM 658 N CYS A 49 2.563 2.076 4.611 1.00 0.00 N ATOM 659 CA CYS A 49 1.625 1.542 5.590 1.00 0.00 C ATOM 660 C CYS A 49 0.787 0.420 4.985 1.00 0.00 C ATOM 661 O CYS A 49 0.525 -0.593 5.634 1.00 0.00 O ATOM 662 CB CYS A 49 0.710 2.653 6.110 1.00 0.00 C ATOM 663 SG CYS A 49 1.301 3.448 7.640 1.00 0.00 S ATOM 0 H CYS A 49 2.127 2.431 3.760 1.00 0.00 H new ATOM 0 HA CYS A 49 2.200 1.135 6.422 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.603 3.413 5.336 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.282 2.238 6.289 1.00 0.00 H new ATOM 668 N TYR A 50 0.369 0.608 3.738 1.00 0.00 N ATOM 669 CA TYR A 50 -0.442 -0.387 3.045 1.00 0.00 C ATOM 670 C TYR A 50 0.409 -1.578 2.615 1.00 0.00 C ATOM 671 O TYR A 50 -0.019 -2.727 2.715 1.00 0.00 O ATOM 672 CB TYR A 50 -1.120 0.238 1.825 1.00 0.00 C ATOM 673 CG TYR A 50 -1.772 -0.775 0.911 1.00 0.00 C ATOM 674 CD1 TYR A 50 -1.007 -1.665 0.168 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.155 -0.842 0.791 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.599 -2.590 -0.669 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.756 -1.765 -0.042 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.973 -2.637 -0.771 1.00 0.00 C ATOM 679 OH TYR A 50 -3.567 -3.559 -1.602 1.00 0.00 O ATOM 0 H TYR A 50 0.578 1.440 3.186 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.208 -0.741 3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.874 0.949 2.163 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.380 0.803 1.258 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.070 -1.633 0.246 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.770 -0.160 1.359 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.989 -3.273 -1.241 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.832 -1.804 -0.123 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.896 -3.929 -2.213 1.00 0.00 H new ATOM 689 N GLU A 51 1.616 -1.293 2.136 1.00 0.00 N ATOM 690 CA GLU A 51 2.527 -2.341 1.690 1.00 0.00 C ATOM 691 C GLU A 51 2.846 -3.305 2.828 1.00 0.00 C ATOM 692 O GLU A 51 2.590 -4.506 2.729 1.00 0.00 O ATOM 693 CB GLU A 51 3.820 -1.727 1.149 1.00 0.00 C ATOM 694 CG GLU A 51 3.694 -1.191 -0.267 1.00 0.00 C ATOM 695 CD GLU A 51 5.023 -1.150 -0.996 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.891 -1.995 -0.695 1.00 0.00 O ATOM 697 OE2 GLU A 51 5.194 -0.272 -1.868 1.00 0.00 O ATOM 0 H GLU A 51 1.985 -0.346 2.047 1.00 0.00 H new ATOM 0 HA GLU A 51 2.036 -2.898 0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.131 -0.917 1.809 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.608 -2.480 1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.996 -1.814 -0.826 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.270 -0.187 -0.235 1.00 0.00 H new ATOM 704 N TYR A 52 3.406 -2.772 3.908 1.00 0.00 N ATOM 705 CA TYR A 52 3.763 -3.585 5.065 1.00 0.00 C ATOM 706 C TYR A 52 2.595 -4.470 5.490 1.00 0.00 C ATOM 707 O TYR A 52 2.750 -5.678 5.663 1.00 0.00 O ATOM 708 CB TYR A 52 4.191 -2.691 6.230 1.00 0.00 C ATOM 709 CG TYR A 52 4.025 -3.342 7.585 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.681 -4.528 7.893 1.00 0.00 C ATOM 711 CD2 TYR A 52 3.214 -2.770 8.557 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.531 -5.126 9.129 1.00 0.00 C ATOM 713 CE2 TYR A 52 3.060 -3.361 9.796 1.00 0.00 C ATOM 714 CZ TYR A 52 3.720 -4.539 10.077 1.00 0.00 C ATOM 715 OH TYR A 52 3.570 -5.131 11.310 1.00 0.00 O ATOM 0 H TYR A 52 3.623 -1.780 4.007 1.00 0.00 H new ATOM 0 HA TYR A 52 4.598 -4.227 4.783 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.236 -2.410 6.097 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.608 -1.771 6.204 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.319 -4.990 7.154 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.695 -1.848 8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.046 -6.049 9.352 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.426 -2.903 10.541 1.00 0.00 H new ATOM 0 HH TYR A 52 2.967 -4.590 11.861 1.00 0.00 H new ATOM 725 N GLU A 53 1.427 -3.858 5.656 1.00 0.00 N ATOM 726 CA GLU A 53 0.233 -4.589 6.061 1.00 0.00 C ATOM 727 C GLU A 53 0.142 -5.928 5.335 1.00 0.00 C ATOM 728 O GLU A 53 -0.310 -6.924 5.900 1.00 0.00 O ATOM 729 CB GLU A 53 -1.021 -3.759 5.781 1.00 0.00 C ATOM 730 CG GLU A 53 -2.290 -4.354 6.367 1.00 0.00 C ATOM 731 CD GLU A 53 -2.427 -4.087 7.854 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.386 -3.919 8.524 1.00 0.00 O ATOM 733 OE2 GLU A 53 -3.573 -4.045 8.346 1.00 0.00 O ATOM 0 H GLU A 53 1.282 -2.858 5.516 1.00 0.00 H new ATOM 0 HA GLU A 53 0.302 -4.780 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.880 -2.756 6.185 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.143 -3.654 4.703 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.154 -3.942 5.846 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.297 -5.430 6.193 1.00 0.00 H new ATOM 740 N ARG A 54 0.576 -5.944 4.079 1.00 0.00 N ATOM 741 CA ARG A 54 0.543 -7.159 3.274 1.00 0.00 C ATOM 742 C ARG A 54 1.840 -7.948 3.427 1.00 0.00 C ATOM 743 O ARG A 54 1.834 -9.179 3.413 1.00 0.00 O ATOM 744 CB ARG A 54 0.313 -6.814 1.801 1.00 0.00 C ATOM 745 CG ARG A 54 -1.153 -6.794 1.401 1.00 0.00 C ATOM 746 CD ARG A 54 -1.376 -5.969 0.144 1.00 0.00 C ATOM 747 NE ARG A 54 -0.353 -6.223 -0.866 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.322 -7.314 -1.623 1.00 0.00 C ATOM 749 NH1 ARG A 54 -1.253 -8.247 -1.486 1.00 0.00 N ATOM 750 NH2 ARG A 54 0.643 -7.473 -2.521 1.00 0.00 N ATOM 0 H ARG A 54 0.955 -5.129 3.597 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.282 -7.778 3.628 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.751 -5.838 1.593 1.00 0.00 H new ATOM 0 HB3 ARG A 54 0.840 -7.539 1.180 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.500 -7.814 1.234 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.748 -6.384 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.358 -6.197 -0.270 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.377 -4.910 0.401 1.00 0.00 H new ATOM 0 HE ARG A 54 0.378 -5.524 -0.998 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.996 -8.129 -0.798 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.226 -9.084 -2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.361 -6.757 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 54 0.666 -8.311 -3.102 1.00 0.00 H new ATOM 764 N ARG A 55 2.949 -7.231 3.572 1.00 0.00 N ATOM 765 CA ARG A 55 4.253 -7.864 3.726 1.00 0.00 C ATOM 766 C ARG A 55 4.253 -8.831 4.906 1.00 0.00 C ATOM 767 O ARG A 55 4.328 -10.045 4.725 1.00 0.00 O ATOM 768 CB ARG A 55 5.338 -6.803 3.922 1.00 0.00 C ATOM 769 CG ARG A 55 6.707 -7.384 4.237 1.00 0.00 C ATOM 770 CD ARG A 55 7.512 -6.457 5.135 1.00 0.00 C ATOM 771 NE ARG A 55 8.948 -6.571 4.892 1.00 0.00 N ATOM 772 CZ ARG A 55 9.873 -6.254 5.792 1.00 0.00 C ATOM 773 NH1 ARG A 55 9.514 -5.805 6.987 1.00 0.00 N ATOM 774 NH2 ARG A 55 11.160 -6.385 5.496 1.00 0.00 N ATOM 0 H ARG A 55 2.971 -6.211 3.586 1.00 0.00 H new ATOM 0 HA ARG A 55 4.465 -8.428 2.817 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.409 -6.197 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.040 -6.136 4.731 1.00 0.00 H new ATOM 0 HG2 ARG A 55 6.589 -8.352 4.724 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.252 -7.558 3.309 1.00 0.00 H new ATOM 0 HD2 ARG A 55 7.197 -5.427 4.968 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.301 -6.690 6.179 1.00 0.00 H new ATOM 0 HE ARG A 55 9.258 -6.912 3.982 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.526 -5.702 7.217 1.00 0.00 H new ATOM 0 HH12 ARG A 55 10.226 -5.562 7.676 1.00 0.00 H new ATOM 0 HH21 ARG A 55 11.440 -6.729 4.577 1.00 0.00 H new ATOM 0 HH22 ARG A 55 11.870 -6.142 6.187 1.00 0.00 H new ATOM 788 N GLU A 56 4.168 -8.282 6.114 1.00 0.00 N ATOM 789 CA GLU A 56 4.159 -9.097 7.323 1.00 0.00 C ATOM 790 C GLU A 56 2.867 -8.892 8.108 1.00 0.00 C ATOM 791 O GLU A 56 2.541 -9.670 9.004 1.00 0.00 O ATOM 792 CB GLU A 56 5.363 -8.756 8.204 1.00 0.00 C ATOM 793 CG GLU A 56 6.673 -9.331 7.693 1.00 0.00 C ATOM 794 CD GLU A 56 6.854 -10.790 8.064 1.00 0.00 C ATOM 795 OE1 GLU A 56 5.849 -11.530 8.071 1.00 0.00 O ATOM 796 OE2 GLU A 56 8.002 -11.192 8.347 1.00 0.00 O ATOM 0 H GLU A 56 4.104 -7.278 6.281 1.00 0.00 H new ATOM 0 HA GLU A 56 4.221 -10.144 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.455 -7.672 8.275 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.182 -9.128 9.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.712 -9.228 6.609 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.502 -8.751 8.098 1.00 0.00 H new ATOM 803 N GLY A 57 2.134 -7.837 7.765 1.00 0.00 N ATOM 804 CA GLY A 57 0.886 -7.547 8.447 1.00 0.00 C ATOM 805 C GLY A 57 -0.117 -8.676 8.325 1.00 0.00 C ATOM 806 O GLY A 57 0.255 -9.850 8.307 1.00 0.00 O ATOM 0 H GLY A 57 2.382 -7.178 7.027 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.087 -7.356 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.454 -6.635 8.035 1.00 0.00 H new ATOM 810 N THR A 58 -1.397 -8.323 8.244 1.00 0.00 N ATOM 811 CA THR A 58 -2.457 -9.316 8.126 1.00 0.00 C ATOM 812 C THR A 58 -2.998 -9.377 6.702 1.00 0.00 C ATOM 813 O THR A 58 -3.715 -10.309 6.341 1.00 0.00 O ATOM 814 CB THR A 58 -3.619 -9.013 9.091 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.283 -7.807 8.696 1.00 0.00 O ATOM 816 CG2 THR A 58 -3.115 -8.876 10.519 1.00 0.00 C ATOM 0 H THR A 58 -1.724 -7.357 8.258 1.00 0.00 H new ATOM 0 HA THR A 58 -2.018 -10.279 8.387 1.00 0.00 H new ATOM 0 HB THR A 58 -4.322 -9.845 9.049 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.021 -7.623 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.953 -8.662 11.182 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.637 -9.806 10.827 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.393 -8.061 10.573 1.00 0.00 H new ATOM 824 N GLN A 59 -2.647 -8.378 5.898 1.00 0.00 N ATOM 825 CA GLN A 59 -3.098 -8.320 4.512 1.00 0.00 C ATOM 826 C GLN A 59 -4.597 -8.049 4.438 1.00 0.00 C ATOM 827 O GLN A 59 -5.302 -8.629 3.613 1.00 0.00 O ATOM 828 CB GLN A 59 -2.767 -9.628 3.791 1.00 0.00 C ATOM 829 CG GLN A 59 -1.340 -10.102 4.013 1.00 0.00 C ATOM 830 CD GLN A 59 -1.212 -11.611 3.966 1.00 0.00 C ATOM 831 OE1 GLN A 59 -0.676 -12.230 4.886 1.00 0.00 O ATOM 832 NE2 GLN A 59 -1.706 -12.214 2.890 1.00 0.00 N ATOM 0 H GLN A 59 -2.053 -7.599 6.182 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.575 -7.500 4.020 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.455 -10.403 4.129 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -2.935 -9.496 2.722 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -0.693 -9.663 3.254 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -0.988 -9.741 4.979 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -2.142 -11.662 2.151 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -1.649 -13.229 2.803 1.00 0.00 H new ATOM 841 N ASN A 60 -5.077 -7.165 5.307 1.00 0.00 N ATOM 842 CA ASN A 60 -6.493 -6.819 5.340 1.00 0.00 C ATOM 843 C ASN A 60 -6.708 -5.476 6.032 1.00 0.00 C ATOM 844 O ASN A 60 -6.256 -5.265 7.157 1.00 0.00 O ATOM 845 CB ASN A 60 -7.290 -7.909 6.060 1.00 0.00 C ATOM 846 CG ASN A 60 -6.945 -9.300 5.564 1.00 0.00 C ATOM 847 OD1 ASN A 60 -7.310 -9.683 4.453 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.237 -10.063 6.389 1.00 0.00 N ATOM 0 H ASN A 60 -4.507 -6.676 5.997 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.846 -6.740 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.096 -7.850 7.131 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.356 -7.730 5.918 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.974 -11.008 6.110 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.956 -9.704 7.301 1.00 0.00 H new ATOM 855 N CYS A 61 -7.402 -4.570 5.350 1.00 0.00 N ATOM 856 CA CYS A 61 -7.678 -3.247 5.897 1.00 0.00 C ATOM 857 C CYS A 61 -8.093 -3.341 7.363 1.00 0.00 C ATOM 858 O CYS A 61 -9.044 -4.035 7.722 1.00 0.00 O ATOM 859 CB CYS A 61 -8.778 -2.557 5.088 1.00 0.00 C ATOM 860 SG CYS A 61 -9.183 -0.877 5.665 1.00 0.00 S ATOM 0 H CYS A 61 -7.783 -4.728 4.417 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.764 -2.656 5.833 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.469 -2.506 4.044 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.679 -3.169 5.124 1.00 0.00 H new ATOM 865 N PRO A 62 -7.362 -2.625 8.231 1.00 0.00 N ATOM 866 CA PRO A 62 -7.635 -2.609 9.671 1.00 0.00 C ATOM 867 C PRO A 62 -8.931 -1.878 10.008 1.00 0.00 C ATOM 868 O PRO A 62 -9.279 -1.722 11.178 1.00 0.00 O ATOM 869 CB PRO A 62 -6.433 -1.861 10.252 1.00 0.00 C ATOM 870 CG PRO A 62 -5.945 -1.004 9.135 1.00 0.00 C ATOM 871 CD PRO A 62 -6.214 -1.775 7.873 1.00 0.00 C ATOM 0 HA PRO A 62 -7.763 -3.614 10.072 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.720 -1.261 11.116 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.660 -2.553 10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.463 -0.045 9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.882 -0.791 9.243 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.449 -1.113 7.040 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.351 -2.370 7.574 1.00 0.00 H new ATOM 879 N GLN A 63 -9.640 -1.434 8.975 1.00 0.00 N ATOM 880 CA GLN A 63 -10.897 -0.720 9.163 1.00 0.00 C ATOM 881 C GLN A 63 -12.068 -1.523 8.606 1.00 0.00 C ATOM 882 O GLN A 63 -13.122 -1.621 9.235 1.00 0.00 O ATOM 883 CB GLN A 63 -10.835 0.651 8.487 1.00 0.00 C ATOM 884 CG GLN A 63 -12.174 1.368 8.442 1.00 0.00 C ATOM 885 CD GLN A 63 -12.031 2.876 8.494 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.535 3.430 9.476 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.465 3.550 7.436 1.00 0.00 N ATOM 0 H GLN A 63 -9.365 -1.556 8.000 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.051 -0.583 10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.115 1.276 9.016 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.463 0.529 7.470 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.701 1.088 7.530 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.788 1.036 9.279 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.869 3.051 6.644 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.394 4.567 7.415 1.00 0.00 H new ATOM 896 N CYS A 64 -11.876 -2.095 7.422 1.00 0.00 N ATOM 897 CA CYS A 64 -12.916 -2.888 6.778 1.00 0.00 C ATOM 898 C CYS A 64 -12.462 -4.334 6.595 1.00 0.00 C ATOM 899 O CYS A 64 -13.283 -5.241 6.456 1.00 0.00 O ATOM 900 CB CYS A 64 -13.284 -2.282 5.422 1.00 0.00 C ATOM 901 SG CYS A 64 -11.978 -2.434 4.161 1.00 0.00 S ATOM 0 H CYS A 64 -11.009 -2.024 6.889 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.795 -2.880 7.422 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.188 -2.766 5.053 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.520 -1.227 5.560 1.00 0.00 H new ATOM 906 N LYS A 65 -11.150 -4.540 6.596 1.00 0.00 N ATOM 907 CA LYS A 65 -10.585 -5.874 6.432 1.00 0.00 C ATOM 908 C LYS A 65 -11.058 -6.509 5.128 1.00 0.00 C ATOM 909 O LYS A 65 -11.408 -7.689 5.091 1.00 0.00 O ATOM 910 CB LYS A 65 -10.973 -6.764 7.615 1.00 0.00 C ATOM 911 CG LYS A 65 -10.273 -6.393 8.911 1.00 0.00 C ATOM 912 CD LYS A 65 -11.052 -5.342 9.684 1.00 0.00 C ATOM 913 CE LYS A 65 -10.297 -4.890 10.925 1.00 0.00 C ATOM 914 NZ LYS A 65 -10.399 -5.883 12.030 1.00 0.00 N ATOM 0 H LYS A 65 -10.457 -3.800 6.709 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.500 -5.779 6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.051 -6.705 7.765 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.741 -7.801 7.370 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -10.151 -7.284 9.528 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.273 -6.018 8.691 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -11.244 -4.483 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.022 -5.746 9.974 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -9.248 -4.732 10.674 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.692 -3.931 11.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -9.871 -5.538 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.398 -6.015 12.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.999 -6.791 11.719 1.00 0.00 H new ATOM 928 N THR A 66 -11.065 -5.719 4.059 1.00 0.00 N ATOM 929 CA THR A 66 -11.494 -6.204 2.754 1.00 0.00 C ATOM 930 C THR A 66 -10.307 -6.688 1.929 1.00 0.00 C ATOM 931 O THR A 66 -9.174 -6.257 2.142 1.00 0.00 O ATOM 932 CB THR A 66 -12.240 -5.110 1.966 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.366 -4.646 2.718 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.707 -5.638 0.618 1.00 0.00 C ATOM 0 H THR A 66 -10.778 -4.740 4.072 1.00 0.00 H new ATOM 0 HA THR A 66 -12.172 -7.039 2.934 1.00 0.00 H new ATOM 0 HB THR A 66 -11.552 -4.282 1.796 1.00 0.00 H new ATOM 0 HG1 THR A 66 -13.053 -4.169 3.515 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.231 -4.848 0.080 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.845 -5.963 0.036 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.380 -6.481 0.771 1.00 0.00 H new ATOM 942 N ARG A 67 -10.574 -7.586 0.986 1.00 0.00 N ATOM 943 CA ARG A 67 -9.527 -8.130 0.130 1.00 0.00 C ATOM 944 C ARG A 67 -8.681 -7.011 -0.471 1.00 0.00 C ATOM 945 O ARG A 67 -9.212 -6.042 -1.016 1.00 0.00 O ATOM 946 CB ARG A 67 -10.140 -8.976 -0.987 1.00 0.00 C ATOM 947 CG ARG A 67 -11.092 -8.203 -1.884 1.00 0.00 C ATOM 948 CD ARG A 67 -11.472 -9.008 -3.117 1.00 0.00 C ATOM 949 NE ARG A 67 -10.310 -9.331 -3.940 1.00 0.00 N ATOM 950 CZ ARG A 67 -10.348 -9.416 -5.265 1.00 0.00 C ATOM 951 NH1 ARG A 67 -11.484 -9.202 -5.914 1.00 0.00 N ATOM 952 NH2 ARG A 67 -9.247 -9.714 -5.944 1.00 0.00 N ATOM 0 H ARG A 67 -11.507 -7.952 0.796 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.883 -8.761 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -9.339 -9.394 -1.596 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.674 -9.816 -0.543 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.991 -7.945 -1.325 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.626 -7.266 -2.189 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -11.966 -9.930 -2.810 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -12.191 -8.444 -3.711 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.420 -9.501 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -12.332 -8.971 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.510 -9.268 -6.932 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -8.371 -9.878 -5.448 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -9.277 -9.779 -6.961 1.00 0.00 H new ATOM 966 N TYR A 68 -7.364 -7.151 -0.368 1.00 0.00 N ATOM 967 CA TYR A 68 -6.445 -6.151 -0.899 1.00 0.00 C ATOM 968 C TYR A 68 -6.116 -6.436 -2.361 1.00 0.00 C ATOM 969 O TYR A 68 -6.661 -7.360 -2.964 1.00 0.00 O ATOM 970 CB TYR A 68 -5.159 -6.120 -0.071 1.00 0.00 C ATOM 971 CG TYR A 68 -5.192 -5.119 1.061 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.591 -3.806 0.842 1.00 0.00 C ATOM 973 CD2 TYR A 68 -4.824 -5.485 2.350 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.622 -2.887 1.874 1.00 0.00 C ATOM 975 CE2 TYR A 68 -4.853 -4.573 3.388 1.00 0.00 C ATOM 976 CZ TYR A 68 -5.253 -3.276 3.145 1.00 0.00 C ATOM 977 OH TYR A 68 -5.282 -2.365 4.175 1.00 0.00 O ATOM 0 H TYR A 68 -6.909 -7.947 0.078 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.932 -5.178 -0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.977 -7.113 0.339 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.320 -5.887 -0.727 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -5.882 -3.498 -0.152 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -4.510 -6.500 2.544 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -5.933 -1.870 1.686 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -4.564 -4.875 4.384 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.982 -1.701 4.005 1.00 0.00 H new ATOM 987 N LYS A 69 -5.218 -5.634 -2.925 1.00 0.00 N ATOM 988 CA LYS A 69 -4.812 -5.799 -4.315 1.00 0.00 C ATOM 989 C LYS A 69 -3.345 -5.424 -4.502 1.00 0.00 C ATOM 990 O LYS A 69 -2.857 -4.469 -3.898 1.00 0.00 O ATOM 991 CB LYS A 69 -5.689 -4.939 -5.229 1.00 0.00 C ATOM 992 CG LYS A 69 -5.265 -3.481 -5.283 1.00 0.00 C ATOM 993 CD LYS A 69 -5.710 -2.726 -4.042 1.00 0.00 C ATOM 994 CE LYS A 69 -7.204 -2.440 -4.069 1.00 0.00 C ATOM 995 NZ LYS A 69 -7.520 -1.217 -4.857 1.00 0.00 N ATOM 0 H LYS A 69 -4.758 -4.864 -2.440 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.938 -6.848 -4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -5.665 -5.353 -6.237 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.722 -4.996 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.181 -3.419 -5.379 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -5.690 -3.010 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.466 -3.308 -3.154 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.160 -1.788 -3.969 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.730 -3.294 -4.497 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.569 -2.319 -3.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.547 -1.056 -4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.039 -0.398 -4.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -7.194 -1.342 -5.837 1.00 0.00 H new ATOM 1009 N ARG A 70 -2.648 -6.183 -5.341 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.237 -5.930 -5.606 1.00 0.00 C ATOM 1011 C ARG A 70 -1.048 -4.592 -6.315 1.00 0.00 C ATOM 1012 O ARG A 70 -1.429 -4.432 -7.475 1.00 0.00 O ATOM 1013 CB ARG A 70 -0.646 -7.057 -6.456 1.00 0.00 C ATOM 1014 CG ARG A 70 0.830 -7.309 -6.192 1.00 0.00 C ATOM 1015 CD ARG A 70 1.195 -8.768 -6.421 1.00 0.00 C ATOM 1016 NE ARG A 70 1.615 -9.016 -7.798 1.00 0.00 N ATOM 1017 CZ ARG A 70 1.547 -10.207 -8.383 1.00 0.00 C ATOM 1018 NH1 ARG A 70 1.078 -11.252 -7.716 1.00 0.00 N ATOM 1019 NH2 ARG A 70 1.949 -10.354 -9.639 1.00 0.00 N ATOM 0 H ARG A 70 -3.037 -6.978 -5.849 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.715 -5.892 -4.650 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.202 -7.975 -6.265 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -0.782 -6.815 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 70 1.431 -6.676 -6.844 1.00 0.00 H new ATOM 0 HG3 ARG A 70 1.070 -7.029 -5.166 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.997 -9.052 -5.740 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.338 -9.398 -6.184 1.00 0.00 H new ATOM 0 HE ARG A 70 1.980 -8.233 -8.340 1.00 0.00 H new ATOM 0 HH11 ARG A 70 0.768 -11.143 -6.750 1.00 0.00 H new ATOM 0 HH12 ARG A 70 1.027 -12.165 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 70 2.310 -9.552 -10.156 1.00 0.00 H new ATOM 0 HH22 ARG A 70 1.897 -11.269 -10.088 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.458 -3.633 -5.609 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.219 -2.308 -6.169 1.00 0.00 C ATOM 1035 C LEU A 71 1.102 -2.269 -6.931 1.00 0.00 C ATOM 1036 O LEU A 71 1.773 -3.290 -7.081 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.212 -1.256 -5.058 1.00 0.00 C ATOM 1038 CG LEU A 71 -1.530 -1.063 -4.309 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -1.407 0.062 -3.293 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -2.663 -0.780 -5.285 1.00 0.00 C ATOM 0 H LEU A 71 -0.137 -3.749 -4.648 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.026 -2.085 -6.867 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.558 -1.525 -4.335 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.079 -0.300 -5.492 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.759 -1.985 -3.775 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.355 0.185 -2.770 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.624 -0.181 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.153 0.990 -3.806 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.593 -0.645 -4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.440 0.127 -5.848 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.768 -1.618 -5.974 1.00 0.00 H new ATOM 1052 N ARG A 72 1.470 -1.084 -7.407 1.00 0.00 N ATOM 1053 CA ARG A 72 2.711 -0.911 -8.152 1.00 0.00 C ATOM 1054 C ARG A 72 3.919 -1.230 -7.276 1.00 0.00 C ATOM 1055 O ARG A 72 4.892 -1.827 -7.735 1.00 0.00 O ATOM 1056 CB ARG A 72 2.817 0.519 -8.685 1.00 0.00 C ATOM 1057 CG ARG A 72 3.190 1.539 -7.622 1.00 0.00 C ATOM 1058 CD ARG A 72 4.698 1.673 -7.483 1.00 0.00 C ATOM 1059 NE ARG A 72 5.343 1.951 -8.763 1.00 0.00 N ATOM 1060 CZ ARG A 72 6.660 1.952 -8.938 1.00 0.00 C ATOM 1061 NH1 ARG A 72 7.467 1.692 -7.919 1.00 0.00 N ATOM 1062 NH2 ARG A 72 7.172 2.214 -10.134 1.00 0.00 N ATOM 0 H ARG A 72 0.926 -0.229 -7.290 1.00 0.00 H new ATOM 0 HA ARG A 72 2.700 -1.604 -8.993 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.562 0.547 -9.480 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.864 0.803 -9.131 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.760 2.507 -7.878 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.760 1.243 -6.665 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.927 2.474 -6.780 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.106 0.754 -7.063 1.00 0.00 H new ATOM 0 HE ARG A 72 4.750 2.156 -9.567 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.077 1.491 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.478 1.693 -8.056 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.554 2.415 -10.920 1.00 0.00 H new ATOM 0 HH22 ARG A 72 8.183 2.214 -10.267 1.00 0.00 H new ATOM 1076 N GLY A 73 3.850 -0.826 -6.011 1.00 0.00 N ATOM 1077 CA GLY A 73 4.944 -1.077 -5.091 1.00 0.00 C ATOM 1078 C GLY A 73 4.711 -2.305 -4.233 1.00 0.00 C ATOM 1079 O GLY A 73 5.579 -3.172 -4.130 1.00 0.00 O ATOM 0 H GLY A 73 3.056 -0.329 -5.607 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.868 -1.202 -5.656 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.079 -0.208 -4.447 1.00 0.00 H new ATOM 1083 N SER A 74 3.536 -2.379 -3.615 1.00 0.00 N ATOM 1084 CA SER A 74 3.194 -3.508 -2.758 1.00 0.00 C ATOM 1085 C SER A 74 3.607 -4.826 -3.405 1.00 0.00 C ATOM 1086 O SER A 74 2.974 -5.312 -4.343 1.00 0.00 O ATOM 1087 CB SER A 74 1.692 -3.517 -2.467 1.00 0.00 C ATOM 1088 OG SER A 74 1.231 -2.222 -2.124 1.00 0.00 O ATOM 0 H SER A 74 2.806 -1.671 -3.692 1.00 0.00 H new ATOM 0 HA SER A 74 3.738 -3.399 -1.820 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.151 -3.879 -3.341 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.480 -4.209 -1.652 1.00 0.00 H new ATOM 0 HG SER A 74 0.473 -2.297 -1.508 1.00 0.00 H new ATOM 1094 N PRO A 75 4.695 -5.421 -2.893 1.00 0.00 N ATOM 1095 CA PRO A 75 5.217 -6.691 -3.404 1.00 0.00 C ATOM 1096 C PRO A 75 4.302 -7.867 -3.080 1.00 0.00 C ATOM 1097 O PRO A 75 3.596 -7.856 -2.071 1.00 0.00 O ATOM 1098 CB PRO A 75 6.557 -6.841 -2.680 1.00 0.00 C ATOM 1099 CG PRO A 75 6.401 -6.049 -1.428 1.00 0.00 C ATOM 1100 CD PRO A 75 5.498 -4.898 -1.775 1.00 0.00 C ATOM 0 HA PRO A 75 5.302 -6.688 -4.491 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.775 -7.887 -2.463 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.380 -6.464 -3.287 1.00 0.00 H new ATOM 0 HG2 PRO A 75 5.970 -6.657 -0.633 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.367 -5.693 -1.069 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.872 -4.610 -0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 75 6.066 -4.015 -2.067 1.00 0.00 H new ATOM 1108 N ARG A 76 4.320 -8.880 -3.940 1.00 0.00 N ATOM 1109 CA ARG A 76 3.490 -10.063 -3.745 1.00 0.00 C ATOM 1110 C ARG A 76 3.743 -10.683 -2.374 1.00 0.00 C ATOM 1111 O ARG A 76 4.863 -10.655 -1.865 1.00 0.00 O ATOM 1112 CB ARG A 76 3.767 -11.093 -4.841 1.00 0.00 C ATOM 1113 CG ARG A 76 2.816 -12.278 -4.818 1.00 0.00 C ATOM 1114 CD ARG A 76 3.482 -13.538 -5.349 1.00 0.00 C ATOM 1115 NE ARG A 76 3.360 -13.652 -6.799 1.00 0.00 N ATOM 1116 CZ ARG A 76 3.682 -14.747 -7.480 1.00 0.00 C ATOM 1117 NH1 ARG A 76 4.144 -15.815 -6.844 1.00 0.00 N ATOM 1118 NH2 ARG A 76 3.543 -14.774 -8.799 1.00 0.00 N ATOM 0 H ARG A 76 4.900 -8.905 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 76 2.445 -9.757 -3.800 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.701 -10.604 -5.813 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.789 -11.456 -4.736 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.471 -12.450 -3.798 1.00 0.00 H new ATOM 0 HG3 ARG A 76 1.935 -12.050 -5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 76 4.537 -13.534 -5.073 1.00 0.00 H new ATOM 0 HD3 ARG A 76 3.032 -14.412 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 76 3.008 -12.847 -7.318 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.253 -15.797 -5.830 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.390 -16.654 -7.369 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.189 -13.954 -9.291 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.790 -15.615 -9.321 1.00 0.00 H new ATOM 1132 N VAL A 77 2.693 -11.243 -1.781 1.00 0.00 N ATOM 1133 CA VAL A 77 2.801 -11.871 -0.469 1.00 0.00 C ATOM 1134 C VAL A 77 2.115 -13.233 -0.454 1.00 0.00 C ATOM 1135 O VAL A 77 1.636 -13.708 -1.483 1.00 0.00 O ATOM 1136 CB VAL A 77 2.183 -10.985 0.629 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.041 -9.751 0.865 1.00 0.00 C ATOM 1138 CG2 VAL A 77 0.761 -10.593 0.260 1.00 0.00 C ATOM 0 H VAL A 77 1.758 -11.275 -2.188 1.00 0.00 H new ATOM 0 HA VAL A 77 3.864 -12.001 -0.266 1.00 0.00 H new ATOM 0 HB VAL A 77 2.148 -11.557 1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 77 2.589 -9.137 1.644 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.040 -10.056 1.178 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.110 -9.174 -0.057 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.340 -9.967 1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.768 -10.039 -0.679 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.154 -11.491 0.147 1.00 0.00 H new ATOM 1148 N GLU A 78 2.073 -13.854 0.720 1.00 0.00 N ATOM 1149 CA GLU A 78 1.445 -15.163 0.869 1.00 0.00 C ATOM 1150 C GLU A 78 -0.070 -15.029 0.993 1.00 0.00 C ATOM 1151 O GLU A 78 -0.700 -15.711 1.799 1.00 0.00 O ATOM 1152 CB GLU A 78 2.007 -15.886 2.095 1.00 0.00 C ATOM 1153 CG GLU A 78 3.499 -16.158 2.011 1.00 0.00 C ATOM 1154 CD GLU A 78 3.825 -17.357 1.141 1.00 0.00 C ATOM 1155 OE1 GLU A 78 3.608 -17.275 -0.086 1.00 0.00 O ATOM 1156 OE2 GLU A 78 4.297 -18.376 1.687 1.00 0.00 O ATOM 0 H GLU A 78 2.465 -13.473 1.581 1.00 0.00 H new ATOM 0 HA GLU A 78 1.668 -15.748 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.805 -15.288 2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.480 -16.832 2.221 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.003 -15.277 1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.891 -16.324 3.014 1.00 0.00 H new ATOM 1163 N GLY A 79 -0.648 -14.142 0.188 1.00 0.00 N ATOM 1164 CA GLY A 79 -2.083 -13.933 0.223 1.00 0.00 C ATOM 1165 C GLY A 79 -2.686 -13.815 -1.162 1.00 0.00 C ATOM 1166 O GLY A 79 -3.815 -14.248 -1.395 1.00 0.00 O ATOM 0 H GLY A 79 -0.147 -13.565 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.555 -14.761 0.752 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -2.301 -13.028 0.789 1.00 0.00 H new ATOM 1170 N ASP A 80 -1.934 -13.224 -2.084 1.00 0.00 N ATOM 1171 CA ASP A 80 -2.401 -13.049 -3.455 1.00 0.00 C ATOM 1172 C ASP A 80 -2.582 -14.398 -4.144 1.00 0.00 C ATOM 1173 O ASP A 80 -3.560 -14.612 -4.860 1.00 0.00 O ATOM 1174 CB ASP A 80 -1.416 -12.187 -4.245 1.00 0.00 C ATOM 1175 CG ASP A 80 -1.753 -10.710 -4.176 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -2.934 -10.362 -4.385 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -0.837 -9.903 -3.913 1.00 0.00 O ATOM 0 H ASP A 80 -0.998 -12.858 -1.907 1.00 0.00 H new ATOM 0 HA ASP A 80 -3.367 -12.546 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.409 -12.345 -3.859 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.412 -12.507 -5.287 1.00 0.00 H new ATOM 1182 N GLU A 81 -1.634 -15.302 -3.923 1.00 0.00 N ATOM 1183 CA GLU A 81 -1.689 -16.629 -4.525 1.00 0.00 C ATOM 1184 C GLU A 81 -0.817 -17.614 -3.751 1.00 0.00 C ATOM 1185 O GLU A 81 0.344 -17.332 -3.454 1.00 0.00 O ATOM 1186 CB GLU A 81 -1.237 -16.570 -5.985 1.00 0.00 C ATOM 1187 CG GLU A 81 -1.255 -17.920 -6.683 1.00 0.00 C ATOM 1188 CD GLU A 81 -2.584 -18.635 -6.536 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -3.632 -17.962 -6.621 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -2.576 -19.868 -6.336 1.00 0.00 O ATOM 0 H GLU A 81 -0.819 -15.140 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 81 -2.722 -16.975 -4.485 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.883 -15.881 -6.529 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -0.227 -16.162 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.037 -17.780 -7.742 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.462 -18.547 -6.274 1.00 0.00 H new ATOM 1197 N ASP A 82 -1.386 -18.770 -3.427 1.00 0.00 N ATOM 1198 CA ASP A 82 -0.662 -19.798 -2.689 1.00 0.00 C ATOM 1199 C ASP A 82 0.265 -20.580 -3.613 1.00 0.00 C ATOM 1200 O ASP A 82 0.097 -20.567 -4.832 1.00 0.00 O ATOM 1201 CB ASP A 82 -1.644 -20.752 -2.005 1.00 0.00 C ATOM 1202 CG ASP A 82 -1.094 -22.160 -1.885 1.00 0.00 C ATOM 1203 OD1 ASP A 82 -1.100 -22.888 -2.900 1.00 0.00 O ATOM 1204 OD2 ASP A 82 -0.658 -22.533 -0.776 1.00 0.00 O ATOM 0 H ASP A 82 -2.346 -19.018 -3.664 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.056 -19.305 -1.929 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -1.883 -20.372 -1.012 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -2.576 -20.776 -2.570 1.00 0.00 H new ATOM 1209 N GLU A 83 1.245 -21.259 -3.024 1.00 0.00 N ATOM 1210 CA GLU A 83 2.200 -22.045 -3.797 1.00 0.00 C ATOM 1211 C GLU A 83 2.437 -23.406 -3.147 1.00 0.00 C ATOM 1212 O GLU A 83 1.932 -23.681 -2.059 1.00 0.00 O ATOM 1213 CB GLU A 83 3.526 -21.293 -3.927 1.00 0.00 C ATOM 1214 CG GLU A 83 4.066 -20.777 -2.604 1.00 0.00 C ATOM 1215 CD GLU A 83 5.517 -20.346 -2.694 1.00 0.00 C ATOM 1216 OE1 GLU A 83 5.912 -19.809 -3.750 1.00 0.00 O ATOM 1217 OE2 GLU A 83 6.257 -20.546 -1.708 1.00 0.00 O ATOM 0 H GLU A 83 1.398 -21.281 -2.016 1.00 0.00 H new ATOM 0 HA GLU A 83 1.781 -22.204 -4.791 1.00 0.00 H new ATOM 0 HB2 GLU A 83 4.266 -21.954 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.392 -20.452 -4.608 1.00 0.00 H new ATOM 0 HG2 GLU A 83 3.460 -19.933 -2.273 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.969 -21.556 -1.848 1.00 0.00 H new ATOM 1224 N GLU A 84 3.207 -24.252 -3.823 1.00 0.00 N ATOM 1225 CA GLU A 84 3.509 -25.584 -3.312 1.00 0.00 C ATOM 1226 C GLU A 84 4.935 -25.650 -2.774 1.00 0.00 C ATOM 1227 O GLU A 84 5.891 -25.808 -3.534 1.00 0.00 O ATOM 1228 CB GLU A 84 3.319 -26.631 -4.412 1.00 0.00 C ATOM 1229 CG GLU A 84 4.182 -26.390 -5.638 1.00 0.00 C ATOM 1230 CD GLU A 84 3.695 -27.155 -6.854 1.00 0.00 C ATOM 1231 OE1 GLU A 84 2.588 -26.850 -7.343 1.00 0.00 O ATOM 1232 OE2 GLU A 84 4.423 -28.059 -7.316 1.00 0.00 O ATOM 0 H GLU A 84 3.633 -24.039 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 84 2.820 -25.796 -2.494 1.00 0.00 H new ATOM 0 HB2 GLU A 84 3.546 -27.617 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.271 -26.644 -4.713 1.00 0.00 H new ATOM 0 HG2 GLU A 84 4.194 -25.324 -5.865 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.209 -26.681 -5.418 1.00 0.00 H new ATOM 1239 N ASP A 85 5.070 -25.526 -1.458 1.00 0.00 N ATOM 1240 CA ASP A 85 6.379 -25.572 -0.816 1.00 0.00 C ATOM 1241 C ASP A 85 6.336 -26.428 0.446 1.00 0.00 C ATOM 1242 O ASP A 85 5.265 -26.850 0.885 1.00 0.00 O ATOM 1243 CB ASP A 85 6.852 -24.159 -0.473 1.00 0.00 C ATOM 1244 CG ASP A 85 6.339 -23.687 0.873 1.00 0.00 C ATOM 1245 OD1 ASP A 85 6.837 -24.184 1.905 1.00 0.00 O ATOM 1246 OD2 ASP A 85 5.440 -22.821 0.895 1.00 0.00 O ATOM 0 H ASP A 85 4.289 -25.393 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 85 7.083 -26.023 -1.515 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.942 -24.134 -0.472 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.518 -23.469 -1.248 1.00 0.00 H new ATOM 1251 N ILE A 86 7.505 -26.680 1.024 1.00 0.00 N ATOM 1252 CA ILE A 86 7.600 -27.485 2.235 1.00 0.00 C ATOM 1253 C ILE A 86 8.067 -26.645 3.419 1.00 0.00 C ATOM 1254 O ILE A 86 7.511 -26.732 4.513 1.00 0.00 O ATOM 1255 CB ILE A 86 8.566 -28.671 2.049 1.00 0.00 C ATOM 1256 CG1 ILE A 86 8.099 -29.561 0.896 1.00 0.00 C ATOM 1257 CG2 ILE A 86 8.672 -29.475 3.336 1.00 0.00 C ATOM 1258 CD1 ILE A 86 9.201 -30.411 0.303 1.00 0.00 C ATOM 0 H ILE A 86 8.400 -26.338 0.673 1.00 0.00 H new ATOM 0 HA ILE A 86 6.600 -27.869 2.437 1.00 0.00 H new ATOM 0 HB ILE A 86 9.554 -28.281 1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 86 7.300 -30.212 1.251 1.00 0.00 H new ATOM 0 HG13 ILE A 86 7.674 -28.933 0.113 1.00 0.00 H new ATOM 0 HG21 ILE A 86 9.358 -30.309 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.046 -28.835 4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 86 7.688 -29.858 3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 86 8.797 -31.016 -0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 86 9.990 -29.766 -0.083 1.00 0.00 H new ATOM 0 HD13 ILE A 86 9.611 -31.065 1.073 1.00 0.00 H new ATOM 1270 N ASP A 87 9.091 -25.829 3.191 1.00 0.00 N ATOM 1271 CA ASP A 87 9.632 -24.970 4.237 1.00 0.00 C ATOM 1272 C ASP A 87 8.519 -24.184 4.924 1.00 0.00 C ATOM 1273 O ASP A 87 7.551 -23.771 4.285 1.00 0.00 O ATOM 1274 CB ASP A 87 10.666 -24.007 3.652 1.00 0.00 C ATOM 1275 CG ASP A 87 11.168 -23.006 4.674 1.00 0.00 C ATOM 1276 OD1 ASP A 87 11.913 -23.415 5.589 1.00 0.00 O ATOM 1277 OD2 ASP A 87 10.815 -21.813 4.560 1.00 0.00 O ATOM 0 H ASP A 87 9.563 -25.745 2.291 1.00 0.00 H new ATOM 0 HA ASP A 87 10.117 -25.604 4.979 1.00 0.00 H new ATOM 0 HB2 ASP A 87 11.509 -24.577 3.262 1.00 0.00 H new ATOM 0 HB3 ASP A 87 10.225 -23.473 2.810 1.00 0.00 H new ATOM 1282 N SER A 88 8.663 -23.983 6.230 1.00 0.00 N ATOM 1283 CA SER A 88 7.667 -23.252 7.005 1.00 0.00 C ATOM 1284 C SER A 88 8.231 -22.838 8.361 1.00 0.00 C ATOM 1285 O SER A 88 9.045 -23.547 8.950 1.00 0.00 O ATOM 1286 CB SER A 88 6.414 -24.106 7.201 1.00 0.00 C ATOM 1287 OG SER A 88 6.732 -25.347 7.808 1.00 0.00 O ATOM 0 H SER A 88 9.459 -24.316 6.774 1.00 0.00 H new ATOM 0 HA SER A 88 7.401 -22.352 6.451 1.00 0.00 H new ATOM 0 HB2 SER A 88 5.697 -23.568 7.821 1.00 0.00 H new ATOM 0 HB3 SER A 88 5.935 -24.281 6.238 1.00 0.00 H new ATOM 0 HG SER A 88 5.914 -25.874 7.924 1.00 0.00 H new ATOM 1293 N GLY A 89 7.792 -21.682 8.850 1.00 0.00 N ATOM 1294 CA GLY A 89 8.263 -21.192 10.132 1.00 0.00 C ATOM 1295 C GLY A 89 7.386 -20.087 10.688 1.00 0.00 C ATOM 1296 O GLY A 89 7.820 -18.948 10.859 1.00 0.00 O ATOM 0 H GLY A 89 7.119 -21.076 8.381 1.00 0.00 H new ATOM 0 HA2 GLY A 89 8.297 -22.018 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 89 9.283 -20.823 10.024 1.00 0.00 H new ATOM 1300 N PRO A 90 6.120 -20.421 10.979 1.00 0.00 N ATOM 1301 CA PRO A 90 5.153 -19.462 11.522 1.00 0.00 C ATOM 1302 C PRO A 90 5.479 -19.059 12.956 1.00 0.00 C ATOM 1303 O PRO A 90 5.035 -19.701 13.907 1.00 0.00 O ATOM 1304 CB PRO A 90 3.828 -20.226 11.469 1.00 0.00 C ATOM 1305 CG PRO A 90 4.217 -21.664 11.519 1.00 0.00 C ATOM 1306 CD PRO A 90 5.535 -21.761 10.800 1.00 0.00 C ATOM 0 HA PRO A 90 5.145 -18.528 10.960 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.184 -19.961 12.308 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.275 -19.997 10.558 1.00 0.00 H new ATOM 0 HG2 PRO A 90 4.308 -22.008 12.549 1.00 0.00 H new ATOM 0 HG3 PRO A 90 3.464 -22.289 11.039 1.00 0.00 H new ATOM 0 HD2 PRO A 90 6.170 -22.537 11.227 1.00 0.00 H new ATOM 0 HD3 PRO A 90 5.401 -22.004 9.746 1.00 0.00 H new ATOM 1314 N SER A 91 6.258 -17.992 13.103 1.00 0.00 N ATOM 1315 CA SER A 91 6.646 -17.505 14.422 1.00 0.00 C ATOM 1316 C SER A 91 7.329 -16.145 14.319 1.00 0.00 C ATOM 1317 O SER A 91 8.011 -15.853 13.337 1.00 0.00 O ATOM 1318 CB SER A 91 7.579 -18.507 15.104 1.00 0.00 C ATOM 1319 OG SER A 91 7.983 -18.041 16.380 1.00 0.00 O ATOM 0 H SER A 91 6.633 -17.448 12.326 1.00 0.00 H new ATOM 0 HA SER A 91 5.743 -17.394 15.022 1.00 0.00 H new ATOM 0 HB2 SER A 91 7.074 -19.467 15.207 1.00 0.00 H new ATOM 0 HB3 SER A 91 8.457 -18.674 14.480 1.00 0.00 H new ATOM 0 HG SER A 91 8.577 -18.700 16.796 1.00 0.00 H new ATOM 1325 N SER A 92 7.140 -15.316 15.341 1.00 0.00 N ATOM 1326 CA SER A 92 7.734 -13.985 15.366 1.00 0.00 C ATOM 1327 C SER A 92 8.706 -13.845 16.533 1.00 0.00 C ATOM 1328 O SER A 92 9.879 -13.527 16.344 1.00 0.00 O ATOM 1329 CB SER A 92 6.642 -12.918 15.466 1.00 0.00 C ATOM 1330 OG SER A 92 5.802 -12.939 14.325 1.00 0.00 O ATOM 0 H SER A 92 6.580 -15.543 16.163 1.00 0.00 H new ATOM 0 HA SER A 92 8.287 -13.844 14.437 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.046 -13.086 16.363 1.00 0.00 H new ATOM 0 HB3 SER A 92 7.099 -11.934 15.567 1.00 0.00 H new ATOM 0 HG SER A 92 5.112 -12.249 14.414 1.00 0.00 H new ATOM 1336 N GLY A 93 8.207 -14.085 17.743 1.00 0.00 N ATOM 1337 CA GLY A 93 9.043 -13.980 18.924 1.00 0.00 C ATOM 1338 C GLY A 93 9.856 -12.701 18.948 1.00 0.00 C ATOM 1339 O GLY A 93 11.001 -12.727 19.397 1.00 0.00 O ATOM 0 H GLY A 93 7.239 -14.350 17.925 1.00 0.00 H new ATOM 0 HA2 GLY A 93 8.416 -14.025 19.814 1.00 0.00 H new ATOM 0 HA3 GLY A 93 9.717 -14.836 18.965 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.934 5.783 7.466 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.945 -0.314 4.182 1.00 0.00 ZN