USER MOD reduce.3.24.130724 H: found=0, std=0, add=643, rem=0, adj=18 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 Set 1.1: A 58 THR OG1 : rot -160:sc= -0.66 USER MOD Set 1.2: A 60 ASN : amide:sc= -4.03 K(o=-4.7,f=-0.81) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0347 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0348 USER MOD Single : A 5 SER OG : rot 28:sc= 0.387 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -115:sc= -0.356 (180deg=-2.01!) USER MOD Single : A 13 ASN : amide:sc= -0.115 K(o=-0.11,f=-1.8!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 25 GLN : amide:sc= -0.282 K(o=-0.28,f=1.6) USER MOD Single : A 29 THR OG1 : rot -72:sc= 1.15 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 50 TYR OH : rot -32:sc= 1.49 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.0871 K(o=-0.087,f=-1.6!) USER MOD Single : A 63 GLN : amide:sc= 0.368 X(o=0.37,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0576) USER MOD Single : A 66 THR OG1 : rot 123:sc= 1.15 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.232) USER MOD Single : A 74 SER OG : rot 48:sc= 1.37! 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 -17.696 34.253 39.147 1.00 0.00 N ATOM 2 CA GLY A 1 -18.392 33.456 38.154 1.00 0.00 C ATOM 3 C GLY A 1 -17.474 32.976 37.048 1.00 0.00 C ATOM 4 O GLY A 1 -16.490 33.638 36.718 1.00 0.00 O ATOM 0 H1 GLY A 1 -17.573 33.695 40.016 1.00 0.00 H new ATOM 0 H2 GLY A 1 -16.764 34.530 38.778 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.252 35.106 39.360 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.851 32.595 38.640 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -19.200 34.046 37.721 1.00 0.00 H new ATOM 8 N SER A 2 -17.794 31.820 36.475 1.00 0.00 N ATOM 9 CA SER A 2 -16.987 31.249 35.403 1.00 0.00 C ATOM 10 C SER A 2 -17.865 30.823 34.230 1.00 0.00 C ATOM 11 O SER A 2 -18.863 30.126 34.408 1.00 0.00 O ATOM 12 CB SER A 2 -16.190 30.050 35.920 1.00 0.00 C ATOM 13 OG SER A 2 -15.362 30.419 37.009 1.00 0.00 O ATOM 0 H SER A 2 -18.606 31.261 36.735 1.00 0.00 H new ATOM 0 HA SER A 2 -16.294 32.015 35.056 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.875 29.261 36.231 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.578 29.642 35.116 1.00 0.00 H new ATOM 0 HG SER A 2 -14.865 29.635 37.322 1.00 0.00 H new ATOM 19 N SER A 3 -17.484 31.249 33.029 1.00 0.00 N ATOM 20 CA SER A 3 -18.237 30.916 31.826 1.00 0.00 C ATOM 21 C SER A 3 -17.310 30.794 30.621 1.00 0.00 C ATOM 22 O SER A 3 -16.232 31.386 30.590 1.00 0.00 O ATOM 23 CB SER A 3 -19.305 31.978 31.557 1.00 0.00 C ATOM 24 OG SER A 3 -20.124 32.178 32.696 1.00 0.00 O ATOM 0 H SER A 3 -16.659 31.825 32.864 1.00 0.00 H new ATOM 0 HA SER A 3 -18.724 29.954 31.987 1.00 0.00 H new ATOM 0 HB2 SER A 3 -18.826 32.917 31.280 1.00 0.00 H new ATOM 0 HB3 SER A 3 -19.921 31.673 30.711 1.00 0.00 H new ATOM 0 HG SER A 3 -20.797 32.862 32.499 1.00 0.00 H new ATOM 30 N GLY A 4 -17.738 30.020 29.628 1.00 0.00 N ATOM 31 CA GLY A 4 -16.936 29.833 28.433 1.00 0.00 C ATOM 32 C GLY A 4 -16.606 31.143 27.746 1.00 0.00 C ATOM 33 O GLY A 4 -17.278 32.151 27.961 1.00 0.00 O ATOM 0 H GLY A 4 -18.626 29.519 29.630 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -16.010 29.321 28.697 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -17.471 29.186 27.738 1.00 0.00 H new ATOM 37 N SER A 5 -15.566 31.130 26.918 1.00 0.00 N ATOM 38 CA SER A 5 -15.144 32.327 26.201 1.00 0.00 C ATOM 39 C SER A 5 -15.027 32.052 24.705 1.00 0.00 C ATOM 40 O SER A 5 -14.232 31.216 24.277 1.00 0.00 O ATOM 41 CB SER A 5 -13.804 32.828 26.745 1.00 0.00 C ATOM 42 OG SER A 5 -12.815 31.816 26.673 1.00 0.00 O ATOM 0 H SER A 5 -15.000 30.303 26.727 1.00 0.00 H new ATOM 0 HA SER A 5 -15.901 33.097 26.353 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.480 33.699 26.176 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.925 33.150 27.779 1.00 0.00 H new ATOM 0 HG SER A 5 -13.026 31.205 25.937 1.00 0.00 H new ATOM 48 N SER A 6 -15.827 32.761 23.915 1.00 0.00 N ATOM 49 CA SER A 6 -15.817 32.592 22.467 1.00 0.00 C ATOM 50 C SER A 6 -14.390 32.605 21.928 1.00 0.00 C ATOM 51 O SER A 6 -13.441 32.893 22.657 1.00 0.00 O ATOM 52 CB SER A 6 -16.637 33.696 21.797 1.00 0.00 C ATOM 53 OG SER A 6 -16.203 34.979 22.216 1.00 0.00 O ATOM 0 H SER A 6 -16.490 33.458 24.254 1.00 0.00 H new ATOM 0 HA SER A 6 -16.265 31.626 22.236 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.547 33.614 20.714 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.692 33.568 22.040 1.00 0.00 H new ATOM 0 HG SER A 6 -16.741 35.667 21.773 1.00 0.00 H new ATOM 59 N GLY A 7 -14.246 32.290 20.644 1.00 0.00 N ATOM 60 CA GLY A 7 -12.932 32.271 20.028 1.00 0.00 C ATOM 61 C GLY A 7 -12.900 31.446 18.757 1.00 0.00 C ATOM 62 O GLY A 7 -12.448 30.301 18.745 1.00 0.00 O ATOM 0 H GLY A 7 -15.016 32.048 20.020 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -12.625 33.292 19.803 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.208 31.869 20.737 1.00 0.00 H new ATOM 66 N PRO A 8 -13.390 32.032 17.654 1.00 0.00 N ATOM 67 CA PRO A 8 -13.428 31.361 16.351 1.00 0.00 C ATOM 68 C PRO A 8 -12.037 31.177 15.754 1.00 0.00 C ATOM 69 O PRO A 8 -11.199 32.078 15.814 1.00 0.00 O ATOM 70 CB PRO A 8 -14.259 32.312 15.487 1.00 0.00 C ATOM 71 CG PRO A 8 -14.085 33.649 16.119 1.00 0.00 C ATOM 72 CD PRO A 8 -13.945 33.395 17.595 1.00 0.00 C ATOM 0 HA PRO A 8 -13.842 30.355 16.422 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -13.911 32.314 14.454 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -15.308 32.016 15.469 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -13.204 34.155 15.725 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -14.941 34.292 15.913 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -13.282 34.120 18.067 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -14.905 33.461 18.107 1.00 0.00 H new ATOM 80 N LYS A 9 -11.797 30.005 15.176 1.00 0.00 N ATOM 81 CA LYS A 9 -10.508 29.702 14.565 1.00 0.00 C ATOM 82 C LYS A 9 -10.637 29.592 13.049 1.00 0.00 C ATOM 83 O LYS A 9 -11.696 29.264 12.514 1.00 0.00 O ATOM 84 CB LYS A 9 -9.944 28.399 15.135 1.00 0.00 C ATOM 85 CG LYS A 9 -10.824 27.189 14.874 1.00 0.00 C ATOM 86 CD LYS A 9 -11.842 26.990 15.984 1.00 0.00 C ATOM 87 CE LYS A 9 -12.181 25.519 16.173 1.00 0.00 C ATOM 88 NZ LYS A 9 -12.670 25.235 17.550 1.00 0.00 N ATOM 0 H LYS A 9 -12.479 29.249 15.118 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.824 30.519 14.796 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -8.959 28.221 14.705 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -9.806 28.512 16.210 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.341 27.313 13.923 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.202 26.298 14.785 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.450 27.397 16.916 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.750 27.547 15.751 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -12.942 25.226 15.450 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -11.298 24.914 15.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.890 24.222 17.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.934 25.491 18.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -13.528 25.793 17.736 1.00 0.00 H new ATOM 102 N PRO A 10 -9.534 29.872 12.339 1.00 0.00 N ATOM 103 CA PRO A 10 -9.498 29.810 10.875 1.00 0.00 C ATOM 104 C PRO A 10 -9.590 28.380 10.353 1.00 0.00 C ATOM 105 O PRO A 10 -9.572 27.423 11.128 1.00 0.00 O ATOM 106 CB PRO A 10 -8.138 30.420 10.527 1.00 0.00 C ATOM 107 CG PRO A 10 -7.300 30.192 11.737 1.00 0.00 C ATOM 108 CD PRO A 10 -8.236 30.271 12.911 1.00 0.00 C ATOM 0 HA PRO A 10 -10.342 30.332 10.424 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.703 29.943 9.649 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -8.227 31.483 10.301 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -6.809 29.220 11.694 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.514 30.943 11.814 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -7.929 29.603 13.716 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -8.273 31.277 13.329 1.00 0.00 H new ATOM 116 N LEU A 11 -9.688 28.241 9.036 1.00 0.00 N ATOM 117 CA LEU A 11 -9.782 26.927 8.410 1.00 0.00 C ATOM 118 C LEU A 11 -8.480 26.149 8.578 1.00 0.00 C ATOM 119 O LEU A 11 -7.396 26.731 8.608 1.00 0.00 O ATOM 120 CB LEU A 11 -10.115 27.070 6.924 1.00 0.00 C ATOM 121 CG LEU A 11 -10.594 25.802 6.218 1.00 0.00 C ATOM 122 CD1 LEU A 11 -12.097 25.634 6.383 1.00 0.00 C ATOM 123 CD2 LEU A 11 -10.219 25.837 4.744 1.00 0.00 C ATOM 0 H LEU A 11 -9.704 29.022 8.380 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.581 26.374 8.903 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.885 27.834 6.817 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.228 27.436 6.407 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.100 24.946 6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.420 24.726 5.874 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.341 25.562 7.443 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.609 26.494 5.951 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.568 24.926 4.258 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.684 26.702 4.271 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.136 25.908 4.646 1.00 0.00 H new ATOM 135 N LYS A 12 -8.595 24.830 8.685 1.00 0.00 N ATOM 136 CA LYS A 12 -7.428 23.971 8.847 1.00 0.00 C ATOM 137 C LYS A 12 -7.230 23.086 7.620 1.00 0.00 C ATOM 138 O LYS A 12 -8.137 22.928 6.805 1.00 0.00 O ATOM 139 CB LYS A 12 -7.578 23.101 10.097 1.00 0.00 C ATOM 140 CG LYS A 12 -7.280 23.839 11.391 1.00 0.00 C ATOM 141 CD LYS A 12 -8.530 24.483 11.967 1.00 0.00 C ATOM 142 CE LYS A 12 -9.380 23.472 12.721 1.00 0.00 C ATOM 143 NZ LYS A 12 -10.566 24.110 13.357 1.00 0.00 N ATOM 0 H LYS A 12 -9.485 24.332 8.662 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.551 24.609 8.959 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.595 22.710 10.137 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.910 22.244 10.015 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.859 23.145 12.118 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.526 24.605 11.209 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.247 25.294 12.638 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.117 24.925 11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.711 22.692 12.035 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -8.774 22.987 13.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -10.485 24.040 14.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.612 25.111 13.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.431 23.624 13.044 1.00 0.00 H new ATOM 157 N ASN A 13 -6.038 22.511 7.497 1.00 0.00 N ATOM 158 CA ASN A 13 -5.722 21.641 6.370 1.00 0.00 C ATOM 159 C ASN A 13 -6.076 20.191 6.686 1.00 0.00 C ATOM 160 O ASN A 13 -5.309 19.274 6.388 1.00 0.00 O ATOM 161 CB ASN A 13 -4.238 21.749 6.016 1.00 0.00 C ATOM 162 CG ASN A 13 -3.962 21.401 4.566 1.00 0.00 C ATOM 163 OD1 ASN A 13 -4.881 21.110 3.800 1.00 0.00 O ATOM 164 ND2 ASN A 13 -2.691 21.429 4.182 1.00 0.00 N ATOM 0 H ASN A 13 -5.275 22.632 8.164 1.00 0.00 H new ATOM 0 HA ASN A 13 -6.317 21.964 5.516 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -3.893 22.764 6.215 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -3.664 21.084 6.662 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.444 21.204 3.218 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.961 21.676 4.851 1.00 0.00 H new ATOM 171 N LEU A 14 -7.242 19.990 7.290 1.00 0.00 N ATOM 172 CA LEU A 14 -7.699 18.652 7.647 1.00 0.00 C ATOM 173 C LEU A 14 -8.688 18.121 6.614 1.00 0.00 C ATOM 174 O LEU A 14 -9.888 18.036 6.875 1.00 0.00 O ATOM 175 CB LEU A 14 -8.348 18.665 9.032 1.00 0.00 C ATOM 176 CG LEU A 14 -7.467 19.154 10.181 1.00 0.00 C ATOM 177 CD1 LEU A 14 -8.321 19.719 11.306 1.00 0.00 C ATOM 178 CD2 LEU A 14 -6.586 18.025 10.695 1.00 0.00 C ATOM 0 H LEU A 14 -7.888 20.737 7.543 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.832 17.992 7.666 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.237 19.295 8.989 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.684 17.654 9.263 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.823 19.950 9.806 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.676 20.062 12.115 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.909 20.556 10.931 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -8.990 18.944 11.679 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.965 18.391 11.513 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.213 17.208 11.053 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.948 17.665 9.888 1.00 0.00 H new ATOM 190 N ASP A 15 -8.176 17.764 5.441 1.00 0.00 N ATOM 191 CA ASP A 15 -9.014 17.238 4.369 1.00 0.00 C ATOM 192 C ASP A 15 -9.308 15.757 4.587 1.00 0.00 C ATOM 193 O ASP A 15 -10.466 15.346 4.650 1.00 0.00 O ATOM 194 CB ASP A 15 -8.333 17.442 3.015 1.00 0.00 C ATOM 195 CG ASP A 15 -7.623 18.778 2.919 1.00 0.00 C ATOM 196 OD1 ASP A 15 -8.049 19.727 3.610 1.00 0.00 O ATOM 197 OD2 ASP A 15 -6.642 18.875 2.153 1.00 0.00 O ATOM 0 H ASP A 15 -7.185 17.829 5.208 1.00 0.00 H new ATOM 0 HA ASP A 15 -9.958 17.782 4.378 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -7.615 16.639 2.848 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -9.078 17.372 2.223 1.00 0.00 H new ATOM 202 N GLY A 16 -8.250 14.959 4.699 1.00 0.00 N ATOM 203 CA GLY A 16 -8.416 13.532 4.906 1.00 0.00 C ATOM 204 C GLY A 16 -7.286 12.723 4.301 1.00 0.00 C ATOM 205 O GLY A 16 -6.815 11.758 4.902 1.00 0.00 O ATOM 0 H GLY A 16 -7.281 15.275 4.650 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -8.473 13.327 5.975 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.362 13.212 4.469 1.00 0.00 H new ATOM 209 N GLN A 17 -6.853 13.115 3.107 1.00 0.00 N ATOM 210 CA GLN A 17 -5.773 12.417 2.420 1.00 0.00 C ATOM 211 C GLN A 17 -4.712 11.948 3.409 1.00 0.00 C ATOM 212 O GLN A 17 -4.029 10.950 3.176 1.00 0.00 O ATOM 213 CB GLN A 17 -5.139 13.327 1.366 1.00 0.00 C ATOM 214 CG GLN A 17 -5.987 13.492 0.115 1.00 0.00 C ATOM 215 CD GLN A 17 -5.427 14.530 -0.837 1.00 0.00 C ATOM 216 OE1 GLN A 17 -4.398 15.149 -0.563 1.00 0.00 O ATOM 217 NE2 GLN A 17 -6.102 14.727 -1.963 1.00 0.00 N ATOM 0 H GLN A 17 -7.233 13.912 2.596 1.00 0.00 H new ATOM 0 HA GLN A 17 -6.196 11.541 1.927 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.960 14.308 1.806 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -4.167 12.921 1.085 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -6.059 12.534 -0.400 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -6.999 13.776 0.402 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -6.950 14.192 -2.150 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -5.773 15.414 -2.642 1.00 0.00 H new ATOM 226 N PHE A 18 -4.578 12.674 4.514 1.00 0.00 N ATOM 227 CA PHE A 18 -3.598 12.333 5.539 1.00 0.00 C ATOM 228 C PHE A 18 -3.887 10.957 6.132 1.00 0.00 C ATOM 229 O PHE A 18 -4.994 10.691 6.602 1.00 0.00 O ATOM 230 CB PHE A 18 -3.598 13.388 6.646 1.00 0.00 C ATOM 231 CG PHE A 18 -3.320 14.778 6.150 1.00 0.00 C ATOM 232 CD1 PHE A 18 -4.350 15.583 5.690 1.00 0.00 C ATOM 233 CD2 PHE A 18 -2.029 15.280 6.142 1.00 0.00 C ATOM 234 CE1 PHE A 18 -4.098 16.863 5.233 1.00 0.00 C ATOM 235 CE2 PHE A 18 -1.770 16.559 5.687 1.00 0.00 C ATOM 236 CZ PHE A 18 -2.806 17.351 5.230 1.00 0.00 C ATOM 0 H PHE A 18 -5.136 13.502 4.723 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.614 12.308 5.071 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.566 13.377 7.148 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.849 13.121 7.392 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.362 15.206 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.215 14.664 6.496 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -4.910 17.481 4.879 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.759 16.939 5.689 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.606 18.350 4.871 1.00 0.00 H new ATOM 246 N CYS A 19 -2.885 10.085 6.105 1.00 0.00 N ATOM 247 CA CYS A 19 -3.030 8.736 6.638 1.00 0.00 C ATOM 248 C CYS A 19 -3.571 8.770 8.065 1.00 0.00 C ATOM 249 O CYS A 19 -3.325 9.718 8.810 1.00 0.00 O ATOM 250 CB CYS A 19 -1.686 8.006 6.608 1.00 0.00 C ATOM 251 SG CYS A 19 -1.728 6.340 7.344 1.00 0.00 S ATOM 0 H CYS A 19 -1.963 10.289 5.719 1.00 0.00 H new ATOM 0 HA CYS A 19 -3.742 8.199 6.011 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -1.351 7.926 5.574 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -0.946 8.607 7.137 1.00 0.00 H new ATOM 256 N GLU A 20 -4.308 7.728 8.438 1.00 0.00 N ATOM 257 CA GLU A 20 -4.884 7.640 9.775 1.00 0.00 C ATOM 258 C GLU A 20 -4.048 6.726 10.667 1.00 0.00 C ATOM 259 O GLU A 20 -3.801 7.037 11.833 1.00 0.00 O ATOM 260 CB GLU A 20 -6.322 7.123 9.701 1.00 0.00 C ATOM 261 CG GLU A 20 -7.345 8.209 9.416 1.00 0.00 C ATOM 262 CD GLU A 20 -7.813 8.915 10.675 1.00 0.00 C ATOM 263 OE1 GLU A 20 -8.665 8.347 11.390 1.00 0.00 O ATOM 264 OE2 GLU A 20 -7.328 10.033 10.944 1.00 0.00 O ATOM 0 H GLU A 20 -4.520 6.934 7.834 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.887 8.640 10.209 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.386 6.362 8.923 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.573 6.637 10.644 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.912 8.940 8.733 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -8.204 7.770 8.910 1.00 0.00 H new ATOM 271 N ILE A 21 -3.617 5.599 10.112 1.00 0.00 N ATOM 272 CA ILE A 21 -2.809 4.641 10.857 1.00 0.00 C ATOM 273 C ILE A 21 -1.715 5.345 11.652 1.00 0.00 C ATOM 274 O ILE A 21 -1.696 5.294 12.882 1.00 0.00 O ATOM 275 CB ILE A 21 -2.162 3.603 9.921 1.00 0.00 C ATOM 276 CG1 ILE A 21 -3.238 2.841 9.146 1.00 0.00 C ATOM 277 CG2 ILE A 21 -1.294 2.641 10.718 1.00 0.00 C ATOM 278 CD1 ILE A 21 -2.679 1.894 8.107 1.00 0.00 C ATOM 0 H ILE A 21 -3.814 5.326 9.149 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.481 4.128 11.545 1.00 0.00 H new ATOM 0 HB ILE A 21 -1.528 4.126 9.205 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -3.849 2.276 9.850 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -3.897 3.557 8.656 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.843 1.913 10.043 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.508 3.198 11.229 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -1.908 2.122 11.454 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -3.499 1.388 7.597 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -2.092 2.456 7.381 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -2.043 1.154 8.593 1.00 0.00 H new ATOM 290 N CYS A 22 -0.806 6.004 10.941 1.00 0.00 N ATOM 291 CA CYS A 22 0.292 6.721 11.579 1.00 0.00 C ATOM 292 C CYS A 22 -0.048 8.199 11.747 1.00 0.00 C ATOM 293 O CYS A 22 0.148 8.774 12.816 1.00 0.00 O ATOM 294 CB CYS A 22 1.573 6.571 10.756 1.00 0.00 C ATOM 295 SG CYS A 22 1.485 7.323 9.099 1.00 0.00 S ATOM 0 H CYS A 22 -0.808 6.056 9.922 1.00 0.00 H new ATOM 0 HA CYS A 22 0.450 6.288 12.567 1.00 0.00 H new ATOM 0 HB2 CYS A 22 2.400 7.023 11.305 1.00 0.00 H new ATOM 0 HB3 CYS A 22 1.802 5.511 10.650 1.00 0.00 H new ATOM 300 N GLY A 23 -0.560 8.807 10.681 1.00 0.00 N ATOM 301 CA GLY A 23 -0.919 10.213 10.730 1.00 0.00 C ATOM 302 C GLY A 23 -0.297 11.010 9.601 1.00 0.00 C ATOM 303 O GLY A 23 -0.920 11.924 9.061 1.00 0.00 O ATOM 0 H GLY A 23 -0.733 8.352 9.785 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.004 10.310 10.684 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.602 10.633 11.685 1.00 0.00 H new ATOM 307 N ASP A 24 0.935 10.666 9.245 1.00 0.00 N ATOM 308 CA ASP A 24 1.643 11.357 8.173 1.00 0.00 C ATOM 309 C ASP A 24 0.710 11.637 6.999 1.00 0.00 C ATOM 310 O ASP A 24 -0.367 11.051 6.897 1.00 0.00 O ATOM 311 CB ASP A 24 2.838 10.526 7.703 1.00 0.00 C ATOM 312 CG ASP A 24 3.984 11.387 7.210 1.00 0.00 C ATOM 313 OD1 ASP A 24 3.891 11.907 6.078 1.00 0.00 O ATOM 314 OD2 ASP A 24 4.973 11.542 7.955 1.00 0.00 O ATOM 0 H ASP A 24 1.465 9.912 9.683 1.00 0.00 H new ATOM 0 HA ASP A 24 2.003 12.309 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.186 9.899 8.524 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.520 9.857 6.903 1.00 0.00 H new ATOM 319 N GLN A 25 1.131 12.538 6.117 1.00 0.00 N ATOM 320 CA GLN A 25 0.332 12.897 4.952 1.00 0.00 C ATOM 321 C GLN A 25 0.624 11.963 3.782 1.00 0.00 C ATOM 322 O GLN A 25 1.754 11.895 3.297 1.00 0.00 O ATOM 323 CB GLN A 25 0.609 14.346 4.544 1.00 0.00 C ATOM 324 CG GLN A 25 -0.277 14.839 3.411 1.00 0.00 C ATOM 325 CD GLN A 25 0.186 16.167 2.845 1.00 0.00 C ATOM 326 OE1 GLN A 25 -0.422 17.208 3.098 1.00 0.00 O ATOM 327 NE2 GLN A 25 1.266 16.138 2.073 1.00 0.00 N ATOM 0 H GLN A 25 2.020 13.032 6.187 1.00 0.00 H new ATOM 0 HA GLN A 25 -0.720 12.796 5.220 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.469 14.992 5.411 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.653 14.437 4.244 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -0.291 14.094 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -1.301 14.939 3.772 1.00 0.00 H new ATOM 0 HE21 GLN A 25 1.738 15.253 1.890 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.623 17.001 1.663 1.00 0.00 H new ATOM 336 N ILE A 26 -0.400 11.245 3.336 1.00 0.00 N ATOM 337 CA ILE A 26 -0.253 10.315 2.223 1.00 0.00 C ATOM 338 C ILE A 26 0.244 11.030 0.971 1.00 0.00 C ATOM 339 O ILE A 26 -0.457 11.864 0.400 1.00 0.00 O ATOM 340 CB ILE A 26 -1.582 9.606 1.902 1.00 0.00 C ATOM 341 CG1 ILE A 26 -2.071 8.816 3.117 1.00 0.00 C ATOM 342 CG2 ILE A 26 -1.417 8.690 0.699 1.00 0.00 C ATOM 343 CD1 ILE A 26 -3.449 8.220 2.936 1.00 0.00 C ATOM 0 H ILE A 26 -1.341 11.289 3.728 1.00 0.00 H new ATOM 0 HA ILE A 26 0.482 9.570 2.529 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.330 10.361 1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.363 8.015 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -2.079 9.472 3.987 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.365 8.196 0.485 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.110 9.278 -0.166 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.657 7.939 0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.731 7.674 3.837 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.169 9.018 2.755 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -3.442 7.538 2.086 1.00 0.00 H new ATOM 355 N GLY A 27 1.460 10.695 0.549 1.00 0.00 N ATOM 356 CA GLY A 27 2.030 11.313 -0.634 1.00 0.00 C ATOM 357 C GLY A 27 1.293 10.930 -1.901 1.00 0.00 C ATOM 358 O GLY A 27 0.067 10.805 -1.902 1.00 0.00 O ATOM 0 H GLY A 27 2.060 10.007 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 27 2.010 12.397 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.076 11.021 -0.724 1.00 0.00 H new ATOM 362 N LEU A 28 2.038 10.746 -2.985 1.00 0.00 N ATOM 363 CA LEU A 28 1.447 10.376 -4.267 1.00 0.00 C ATOM 364 C LEU A 28 1.943 9.007 -4.721 1.00 0.00 C ATOM 365 O LEU A 28 2.900 8.466 -4.166 1.00 0.00 O ATOM 366 CB LEU A 28 1.778 11.429 -5.326 1.00 0.00 C ATOM 367 CG LEU A 28 1.284 12.847 -5.040 1.00 0.00 C ATOM 368 CD1 LEU A 28 1.838 13.822 -6.067 1.00 0.00 C ATOM 369 CD2 LEU A 28 -0.237 12.890 -5.027 1.00 0.00 C ATOM 0 H LEU A 28 3.053 10.847 -3.002 1.00 0.00 H new ATOM 0 HA LEU A 28 0.366 10.325 -4.140 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.860 11.461 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.356 11.104 -6.277 1.00 0.00 H new ATOM 0 HG LEU A 28 1.644 13.145 -4.055 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.476 14.826 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.927 13.812 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.509 13.527 -7.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.570 13.907 -4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.618 12.572 -5.997 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.613 12.222 -4.252 1.00 0.00 H new ATOM 381 N THR A 29 1.288 8.452 -5.736 1.00 0.00 N ATOM 382 CA THR A 29 1.663 7.148 -6.266 1.00 0.00 C ATOM 383 C THR A 29 2.864 7.257 -7.198 1.00 0.00 C ATOM 384 O THR A 29 3.255 8.354 -7.597 1.00 0.00 O ATOM 385 CB THR A 29 0.494 6.494 -7.027 1.00 0.00 C ATOM 386 OG1 THR A 29 0.085 7.334 -8.112 1.00 0.00 O ATOM 387 CG2 THR A 29 -0.685 6.245 -6.099 1.00 0.00 C ATOM 0 H THR A 29 0.495 8.886 -6.207 1.00 0.00 H new ATOM 0 HA THR A 29 1.926 6.524 -5.412 1.00 0.00 H new ATOM 0 HB THR A 29 0.835 5.536 -7.419 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.387 8.117 -7.759 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.498 5.783 -6.659 1.00 0.00 H new ATOM 0 HG22 THR A 29 -0.378 5.581 -5.291 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.025 7.192 -5.681 1.00 0.00 H new ATOM 395 N VAL A 30 3.446 6.113 -7.543 1.00 0.00 N ATOM 396 CA VAL A 30 4.602 6.080 -8.430 1.00 0.00 C ATOM 397 C VAL A 30 4.387 6.974 -9.647 1.00 0.00 C ATOM 398 O VAL A 30 5.314 7.632 -10.117 1.00 0.00 O ATOM 399 CB VAL A 30 4.904 4.647 -8.907 1.00 0.00 C ATOM 400 CG1 VAL A 30 6.086 4.640 -9.864 1.00 0.00 C ATOM 401 CG2 VAL A 30 5.165 3.735 -7.718 1.00 0.00 C ATOM 0 H VAL A 30 3.135 5.196 -7.221 1.00 0.00 H new ATOM 0 HA VAL A 30 5.451 6.450 -7.856 1.00 0.00 H new ATOM 0 HB VAL A 30 4.033 4.269 -9.442 1.00 0.00 H new ATOM 0 HG11 VAL A 30 6.284 3.619 -10.190 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.856 5.260 -10.731 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.966 5.036 -9.358 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.377 2.726 -8.073 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.020 4.108 -7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.286 3.716 -7.074 1.00 0.00 H new ATOM 411 N GLU A 31 3.157 6.991 -10.151 1.00 0.00 N ATOM 412 CA GLU A 31 2.820 7.805 -11.313 1.00 0.00 C ATOM 413 C GLU A 31 2.575 9.256 -10.910 1.00 0.00 C ATOM 414 O GLU A 31 3.172 10.176 -11.466 1.00 0.00 O ATOM 415 CB GLU A 31 1.582 7.242 -12.016 1.00 0.00 C ATOM 416 CG GLU A 31 1.813 5.887 -12.663 1.00 0.00 C ATOM 417 CD GLU A 31 3.085 5.843 -13.487 1.00 0.00 C ATOM 418 OE1 GLU A 31 4.169 5.656 -12.895 1.00 0.00 O ATOM 419 OE2 GLU A 31 2.997 5.995 -14.723 1.00 0.00 O ATOM 0 H GLU A 31 2.378 6.451 -9.773 1.00 0.00 H new ATOM 0 HA GLU A 31 3.665 7.776 -12.002 1.00 0.00 H new ATOM 0 HB2 GLU A 31 0.771 7.156 -11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.255 7.948 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.860 5.122 -11.888 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.963 5.643 -13.300 1.00 0.00 H new ATOM 426 N GLY A 32 1.689 9.452 -9.937 1.00 0.00 N ATOM 427 CA GLY A 32 1.379 10.792 -9.476 1.00 0.00 C ATOM 428 C GLY A 32 0.031 10.870 -8.787 1.00 0.00 C ATOM 429 O GLY A 32 -0.166 11.685 -7.885 1.00 0.00 O ATOM 0 H GLY A 32 1.181 8.707 -9.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 2.156 11.125 -8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 32 1.390 11.477 -10.324 1.00 0.00 H new ATOM 433 N ASP A 33 -0.899 10.022 -9.212 1.00 0.00 N ATOM 434 CA ASP A 33 -2.236 9.999 -8.629 1.00 0.00 C ATOM 435 C ASP A 33 -2.169 9.758 -7.125 1.00 0.00 C ATOM 436 O ASP A 33 -1.168 9.260 -6.609 1.00 0.00 O ATOM 437 CB ASP A 33 -3.087 8.916 -9.295 1.00 0.00 C ATOM 438 CG ASP A 33 -3.245 9.140 -10.786 1.00 0.00 C ATOM 439 OD1 ASP A 33 -2.221 9.359 -11.466 1.00 0.00 O ATOM 440 OD2 ASP A 33 -4.394 9.095 -11.273 1.00 0.00 O ATOM 0 H ASP A 33 -0.752 9.342 -9.958 1.00 0.00 H new ATOM 0 HA ASP A 33 -2.698 10.971 -8.802 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.630 7.942 -9.123 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -4.071 8.893 -8.828 1.00 0.00 H new ATOM 445 N LEU A 34 -3.241 10.114 -6.425 1.00 0.00 N ATOM 446 CA LEU A 34 -3.304 9.938 -4.979 1.00 0.00 C ATOM 447 C LEU A 34 -3.264 8.458 -4.609 1.00 0.00 C ATOM 448 O LEU A 34 -3.988 7.644 -5.182 1.00 0.00 O ATOM 449 CB LEU A 34 -4.576 10.580 -4.422 1.00 0.00 C ATOM 450 CG LEU A 34 -4.619 10.779 -2.906 1.00 0.00 C ATOM 451 CD1 LEU A 34 -4.534 9.441 -2.189 1.00 0.00 C ATOM 452 CD2 LEU A 34 -3.494 11.700 -2.457 1.00 0.00 C ATOM 0 H LEU A 34 -4.078 10.526 -6.836 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.435 10.428 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.708 11.551 -4.900 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.427 9.964 -4.712 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.569 11.246 -2.647 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.566 9.603 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -5.375 8.814 -2.487 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.600 8.945 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.540 11.830 -1.376 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.534 11.261 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.601 12.669 -2.944 1.00 0.00 H new ATOM 464 N PHE A 35 -2.414 8.118 -3.645 1.00 0.00 N ATOM 465 CA PHE A 35 -2.280 6.737 -3.197 1.00 0.00 C ATOM 466 C PHE A 35 -3.527 6.286 -2.443 1.00 0.00 C ATOM 467 O PHE A 35 -3.654 6.513 -1.239 1.00 0.00 O ATOM 468 CB PHE A 35 -1.047 6.585 -2.304 1.00 0.00 C ATOM 469 CG PHE A 35 -0.735 5.160 -1.948 1.00 0.00 C ATOM 470 CD1 PHE A 35 -0.416 4.240 -2.934 1.00 0.00 C ATOM 471 CD2 PHE A 35 -0.762 4.740 -0.628 1.00 0.00 C ATOM 472 CE1 PHE A 35 -0.130 2.927 -2.609 1.00 0.00 C ATOM 473 CE2 PHE A 35 -0.477 3.428 -0.297 1.00 0.00 C ATOM 474 CZ PHE A 35 -0.159 2.521 -1.289 1.00 0.00 C ATOM 0 H PHE A 35 -1.808 8.780 -3.160 1.00 0.00 H new ATOM 0 HA PHE A 35 -2.162 6.106 -4.078 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -0.186 7.021 -2.810 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -1.200 7.155 -1.387 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -0.391 4.552 -3.968 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.009 5.446 0.152 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.116 2.219 -3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.503 3.113 0.736 1.00 0.00 H new ATOM 0 HZ PHE A 35 0.067 1.496 -1.033 1.00 0.00 H new ATOM 484 N VAL A 36 -4.446 5.647 -3.159 1.00 0.00 N ATOM 485 CA VAL A 36 -5.683 5.163 -2.558 1.00 0.00 C ATOM 486 C VAL A 36 -5.508 3.757 -1.995 1.00 0.00 C ATOM 487 O VAL A 36 -5.882 2.772 -2.630 1.00 0.00 O ATOM 488 CB VAL A 36 -6.837 5.156 -3.578 1.00 0.00 C ATOM 489 CG1 VAL A 36 -8.118 4.648 -2.933 1.00 0.00 C ATOM 490 CG2 VAL A 36 -7.040 6.545 -4.163 1.00 0.00 C ATOM 0 H VAL A 36 -4.357 5.452 -4.156 1.00 0.00 H new ATOM 0 HA VAL A 36 -5.929 5.848 -1.746 1.00 0.00 H new ATOM 0 HB VAL A 36 -6.575 4.479 -4.391 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -8.922 4.650 -3.669 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -7.964 3.633 -2.568 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -8.388 5.296 -2.099 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -7.859 6.521 -4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -7.280 7.245 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -6.127 6.866 -4.664 1.00 0.00 H new ATOM 500 N ALA A 37 -4.938 3.672 -0.797 1.00 0.00 N ATOM 501 CA ALA A 37 -4.715 2.387 -0.147 1.00 0.00 C ATOM 502 C ALA A 37 -5.944 1.492 -0.264 1.00 0.00 C ATOM 503 O ALA A 37 -5.914 0.464 -0.942 1.00 0.00 O ATOM 504 CB ALA A 37 -4.347 2.593 1.315 1.00 0.00 C ATOM 0 H ALA A 37 -4.622 4.478 -0.257 1.00 0.00 H new ATOM 0 HA ALA A 37 -3.887 1.890 -0.653 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -4.183 1.625 1.789 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -3.436 3.188 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.158 3.114 1.824 1.00 0.00 H new ATOM 510 N CYS A 38 -7.024 1.888 0.400 1.00 0.00 N ATOM 511 CA CYS A 38 -8.264 1.122 0.371 1.00 0.00 C ATOM 512 C CYS A 38 -9.346 1.866 -0.407 1.00 0.00 C ATOM 513 O CYS A 38 -9.412 3.094 -0.378 1.00 0.00 O ATOM 514 CB CYS A 38 -8.747 0.840 1.795 1.00 0.00 C ATOM 515 SG CYS A 38 -10.153 -0.315 1.889 1.00 0.00 S ATOM 0 H CYS A 38 -7.066 2.736 0.965 1.00 0.00 H new ATOM 0 HA CYS A 38 -8.065 0.176 -0.132 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -7.918 0.434 2.375 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.032 1.782 2.264 1.00 0.00 H new ATOM 520 N ASN A 39 -10.192 1.112 -1.102 1.00 0.00 N ATOM 521 CA ASN A 39 -11.270 1.699 -1.888 1.00 0.00 C ATOM 522 C ASN A 39 -12.632 1.284 -1.339 1.00 0.00 C ATOM 523 O ASN A 39 -13.565 2.084 -1.298 1.00 0.00 O ATOM 524 CB ASN A 39 -11.149 1.278 -3.354 1.00 0.00 C ATOM 525 CG ASN A 39 -12.444 1.469 -4.119 1.00 0.00 C ATOM 526 OD1 ASN A 39 -13.281 0.568 -4.179 1.00 0.00 O ATOM 527 ND2 ASN A 39 -12.614 2.646 -4.710 1.00 0.00 N ATOM 0 H ASN A 39 -10.151 0.093 -1.136 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.186 2.784 -1.820 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.359 1.858 -3.832 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.851 0.231 -3.405 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.465 2.832 -5.240 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.893 3.364 -4.634 1.00 0.00 H new ATOM 534 N GLU A 40 -12.736 0.027 -0.919 1.00 0.00 N ATOM 535 CA GLU A 40 -13.984 -0.495 -0.373 1.00 0.00 C ATOM 536 C GLU A 40 -14.588 0.482 0.632 1.00 0.00 C ATOM 537 O GLU A 40 -15.695 0.984 0.439 1.00 0.00 O ATOM 538 CB GLU A 40 -13.747 -1.851 0.295 1.00 0.00 C ATOM 539 CG GLU A 40 -14.965 -2.391 1.024 1.00 0.00 C ATOM 540 CD GLU A 40 -16.113 -2.708 0.086 1.00 0.00 C ATOM 541 OE1 GLU A 40 -15.977 -3.653 -0.720 1.00 0.00 O ATOM 542 OE2 GLU A 40 -17.148 -2.012 0.156 1.00 0.00 O ATOM 0 H GLU A 40 -11.972 -0.648 -0.946 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.686 -0.623 -1.197 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -13.439 -2.571 -0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.922 -1.759 1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -14.687 -3.293 1.570 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -15.295 -1.661 1.763 1.00 0.00 H new ATOM 549 N CYS A 41 -13.852 0.745 1.707 1.00 0.00 N ATOM 550 CA CYS A 41 -14.313 1.660 2.745 1.00 0.00 C ATOM 551 C CYS A 41 -13.697 3.044 2.563 1.00 0.00 C ATOM 552 O CYS A 41 -14.357 4.061 2.773 1.00 0.00 O ATOM 553 CB CYS A 41 -13.963 1.111 4.129 1.00 0.00 C ATOM 554 SG CYS A 41 -12.271 1.504 4.679 1.00 0.00 S ATOM 0 H CYS A 41 -12.934 0.337 1.882 1.00 0.00 H new ATOM 0 HA CYS A 41 -15.396 1.750 2.661 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -14.671 1.509 4.856 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -14.089 0.028 4.121 1.00 0.00 H new ATOM 559 N GLY A 42 -12.427 3.074 2.170 1.00 0.00 N ATOM 560 CA GLY A 42 -11.743 4.337 1.966 1.00 0.00 C ATOM 561 C GLY A 42 -10.807 4.680 3.108 1.00 0.00 C ATOM 562 O GLY A 42 -10.600 5.853 3.420 1.00 0.00 O ATOM 0 H GLY A 42 -11.860 2.246 1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.176 4.294 1.036 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -12.480 5.132 1.853 1.00 0.00 H new ATOM 566 N PHE A 43 -10.239 3.654 3.734 1.00 0.00 N ATOM 567 CA PHE A 43 -9.321 3.853 4.849 1.00 0.00 C ATOM 568 C PHE A 43 -8.009 4.469 4.371 1.00 0.00 C ATOM 569 O PHE A 43 -7.289 3.898 3.552 1.00 0.00 O ATOM 570 CB PHE A 43 -9.046 2.523 5.554 1.00 0.00 C ATOM 571 CG PHE A 43 -8.218 2.664 6.799 1.00 0.00 C ATOM 572 CD1 PHE A 43 -8.624 3.502 7.825 1.00 0.00 C ATOM 573 CD2 PHE A 43 -7.035 1.958 6.944 1.00 0.00 C ATOM 574 CE1 PHE A 43 -7.864 3.634 8.972 1.00 0.00 C ATOM 575 CE2 PHE A 43 -6.271 2.086 8.089 1.00 0.00 C ATOM 576 CZ PHE A 43 -6.687 2.924 9.104 1.00 0.00 C ATOM 0 H PHE A 43 -10.398 2.677 3.488 1.00 0.00 H new ATOM 0 HA PHE A 43 -9.789 4.540 5.554 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -9.996 2.054 5.810 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -8.536 1.853 4.862 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -9.545 4.058 7.727 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.706 1.300 6.153 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -8.190 4.292 9.764 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.350 1.531 8.189 1.00 0.00 H new ATOM 0 HZ PHE A 43 -6.093 3.024 10.000 1.00 0.00 H new ATOM 586 N PRO A 44 -7.691 5.662 4.894 1.00 0.00 N ATOM 587 CA PRO A 44 -6.466 6.382 4.536 1.00 0.00 C ATOM 588 C PRO A 44 -5.214 5.701 5.078 1.00 0.00 C ATOM 589 O PRO A 44 -4.989 5.666 6.288 1.00 0.00 O ATOM 590 CB PRO A 44 -6.655 7.753 5.191 1.00 0.00 C ATOM 591 CG PRO A 44 -7.587 7.504 6.326 1.00 0.00 C ATOM 592 CD PRO A 44 -8.504 6.400 5.876 1.00 0.00 C ATOM 0 HA PRO A 44 -6.321 6.427 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -5.706 8.160 5.540 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -7.071 8.474 4.488 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -7.040 7.215 7.224 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -8.151 8.404 6.572 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -8.805 5.764 6.708 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -9.417 6.793 5.428 1.00 0.00 H new ATOM 600 N ALA A 45 -4.401 5.162 4.176 1.00 0.00 N ATOM 601 CA ALA A 45 -3.170 4.484 4.564 1.00 0.00 C ATOM 602 C ALA A 45 -2.039 4.801 3.591 1.00 0.00 C ATOM 603 O ALA A 45 -2.096 4.436 2.417 1.00 0.00 O ATOM 604 CB ALA A 45 -3.397 2.982 4.641 1.00 0.00 C ATOM 0 H ALA A 45 -4.573 5.182 3.171 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.879 4.847 5.550 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.470 2.488 4.932 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -4.169 2.768 5.380 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -3.715 2.612 3.666 1.00 0.00 H new ATOM 610 N CYS A 46 -1.012 5.483 4.088 1.00 0.00 N ATOM 611 CA CYS A 46 0.133 5.850 3.263 1.00 0.00 C ATOM 612 C CYS A 46 0.765 4.614 2.628 1.00 0.00 C ATOM 613 O CYS A 46 0.271 3.499 2.792 1.00 0.00 O ATOM 614 CB CYS A 46 1.174 6.595 4.101 1.00 0.00 C ATOM 615 SG CYS A 46 1.781 5.656 5.539 1.00 0.00 S ATOM 0 H CYS A 46 -0.949 5.793 5.058 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.220 6.506 2.467 1.00 0.00 H new ATOM 0 HB2 CYS A 46 2.021 6.852 3.465 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.741 7.533 4.449 1.00 0.00 H new ATOM 620 N ARG A 47 1.859 4.823 1.904 1.00 0.00 N ATOM 621 CA ARG A 47 2.558 3.727 1.244 1.00 0.00 C ATOM 622 C ARG A 47 3.211 2.803 2.268 1.00 0.00 C ATOM 623 O ARG A 47 3.014 1.588 2.259 1.00 0.00 O ATOM 624 CB ARG A 47 3.618 4.273 0.286 1.00 0.00 C ATOM 625 CG ARG A 47 3.757 3.465 -0.994 1.00 0.00 C ATOM 626 CD ARG A 47 4.146 4.347 -2.170 1.00 0.00 C ATOM 627 NE ARG A 47 5.283 5.208 -1.856 1.00 0.00 N ATOM 628 CZ ARG A 47 5.886 5.985 -2.750 1.00 0.00 C ATOM 629 NH1 ARG A 47 5.462 6.008 -4.006 1.00 0.00 N ATOM 630 NH2 ARG A 47 6.914 6.740 -2.387 1.00 0.00 N ATOM 0 H ARG A 47 2.281 5.741 1.759 1.00 0.00 H new ATOM 0 HA ARG A 47 1.826 3.153 0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.368 5.303 0.030 1.00 0.00 H new ATOM 0 HB3 ARG A 47 4.580 4.296 0.797 1.00 0.00 H new ATOM 0 HG2 ARG A 47 4.509 2.689 -0.856 1.00 0.00 H new ATOM 0 HG3 ARG A 47 2.815 2.961 -1.212 1.00 0.00 H new ATOM 0 HD2 ARG A 47 4.392 3.720 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 47 3.294 4.963 -2.459 1.00 0.00 H new ATOM 0 HE ARG A 47 5.634 5.213 -0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 47 4.671 5.429 -4.288 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.926 6.605 -4.690 1.00 0.00 H new ATOM 0 HH21 ARG A 47 7.242 6.725 -1.421 1.00 0.00 H new ATOM 0 HH22 ARG A 47 7.376 7.336 -3.073 1.00 0.00 H new ATOM 644 N PRO A 48 4.008 3.391 3.172 1.00 0.00 N ATOM 645 CA PRO A 48 4.706 2.640 4.220 1.00 0.00 C ATOM 646 C PRO A 48 3.751 2.090 5.274 1.00 0.00 C ATOM 647 O PRO A 48 4.172 1.693 6.361 1.00 0.00 O ATOM 648 CB PRO A 48 5.644 3.680 4.838 1.00 0.00 C ATOM 649 CG PRO A 48 4.989 4.990 4.564 1.00 0.00 C ATOM 650 CD PRO A 48 4.289 4.835 3.242 1.00 0.00 C ATOM 0 HA PRO A 48 5.221 1.766 3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.768 3.515 5.908 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.637 3.633 4.391 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.281 5.245 5.353 1.00 0.00 H new ATOM 0 HG3 PRO A 48 5.725 5.793 4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.373 5.425 3.200 1.00 0.00 H new ATOM 0 HD3 PRO A 48 4.917 5.163 2.414 1.00 0.00 H new ATOM 658 N CYS A 49 2.464 2.071 4.946 1.00 0.00 N ATOM 659 CA CYS A 49 1.448 1.570 5.864 1.00 0.00 C ATOM 660 C CYS A 49 0.630 0.456 5.216 1.00 0.00 C ATOM 661 O CYS A 49 0.260 -0.518 5.872 1.00 0.00 O ATOM 662 CB CYS A 49 0.523 2.707 6.304 1.00 0.00 C ATOM 663 SG CYS A 49 1.056 3.552 7.827 1.00 0.00 S ATOM 0 H CYS A 49 2.099 2.397 4.051 1.00 0.00 H new ATOM 0 HA CYS A 49 1.954 1.163 6.739 1.00 0.00 H new ATOM 0 HB2 CYS A 49 0.457 3.439 5.499 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -0.480 2.307 6.455 1.00 0.00 H new ATOM 668 N TYR A 50 0.353 0.608 3.926 1.00 0.00 N ATOM 669 CA TYR A 50 -0.423 -0.383 3.190 1.00 0.00 C ATOM 670 C TYR A 50 0.467 -1.527 2.714 1.00 0.00 C ATOM 671 O TYR A 50 0.136 -2.699 2.891 1.00 0.00 O ATOM 672 CB TYR A 50 -1.117 0.269 1.993 1.00 0.00 C ATOM 673 CG TYR A 50 -1.749 -0.725 1.044 1.00 0.00 C ATOM 674 CD1 TYR A 50 -0.967 -1.589 0.288 1.00 0.00 C ATOM 675 CD2 TYR A 50 -3.130 -0.801 0.905 1.00 0.00 C ATOM 676 CE1 TYR A 50 -1.540 -2.497 -0.580 1.00 0.00 C ATOM 677 CE2 TYR A 50 -3.712 -1.707 0.041 1.00 0.00 C ATOM 678 CZ TYR A 50 -2.913 -2.553 -0.700 1.00 0.00 C ATOM 679 OH TYR A 50 -3.488 -3.458 -1.562 1.00 0.00 O ATOM 0 H TYR A 50 0.654 1.407 3.369 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.178 -0.789 3.863 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -1.886 0.951 2.357 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -0.391 0.870 1.446 1.00 0.00 H new ATOM 0 HD1 TYR A 50 0.108 -1.550 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.759 -0.140 1.483 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -0.917 -3.160 -1.162 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.787 -1.753 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.896 -3.600 -2.330 1.00 0.00 H new ATOM 689 N GLU A 51 1.599 -1.177 2.111 1.00 0.00 N ATOM 690 CA GLU A 51 2.537 -2.175 1.610 1.00 0.00 C ATOM 691 C GLU A 51 2.905 -3.173 2.703 1.00 0.00 C ATOM 692 O GLU A 51 2.701 -4.378 2.553 1.00 0.00 O ATOM 693 CB GLU A 51 3.801 -1.496 1.077 1.00 0.00 C ATOM 694 CG GLU A 51 3.551 -0.603 -0.126 1.00 0.00 C ATOM 695 CD GLU A 51 4.685 0.374 -0.373 1.00 0.00 C ATOM 696 OE1 GLU A 51 5.290 0.841 0.615 1.00 0.00 O ATOM 697 OE2 GLU A 51 4.966 0.672 -1.552 1.00 0.00 O ATOM 0 H GLU A 51 1.888 -0.211 1.958 1.00 0.00 H new ATOM 0 HA GLU A 51 2.053 -2.716 0.797 1.00 0.00 H new ATOM 0 HB2 GLU A 51 4.247 -0.901 1.874 1.00 0.00 H new ATOM 0 HB3 GLU A 51 4.528 -2.262 0.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.411 -1.223 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.625 -0.048 0.024 1.00 0.00 H new ATOM 704 N TYR A 52 3.448 -2.664 3.803 1.00 0.00 N ATOM 705 CA TYR A 52 3.848 -3.511 4.921 1.00 0.00 C ATOM 706 C TYR A 52 2.726 -4.469 5.306 1.00 0.00 C ATOM 707 O TYR A 52 2.965 -5.646 5.574 1.00 0.00 O ATOM 708 CB TYR A 52 4.236 -2.651 6.125 1.00 0.00 C ATOM 709 CG TYR A 52 3.994 -3.329 7.455 1.00 0.00 C ATOM 710 CD1 TYR A 52 4.739 -4.437 7.838 1.00 0.00 C ATOM 711 CD2 TYR A 52 3.022 -2.859 8.330 1.00 0.00 C ATOM 712 CE1 TYR A 52 4.521 -5.060 9.052 1.00 0.00 C ATOM 713 CE2 TYR A 52 2.798 -3.474 9.546 1.00 0.00 C ATOM 714 CZ TYR A 52 3.550 -4.575 9.902 1.00 0.00 C ATOM 715 OH TYR A 52 3.331 -5.191 11.113 1.00 0.00 O ATOM 0 H TYR A 52 3.621 -1.669 3.945 1.00 0.00 H new ATOM 0 HA TYR A 52 4.712 -4.099 4.609 1.00 0.00 H new ATOM 0 HB2 TYR A 52 5.291 -2.387 6.048 1.00 0.00 H new ATOM 0 HB3 TYR A 52 3.671 -1.720 6.093 1.00 0.00 H new ATOM 0 HD1 TYR A 52 5.502 -4.818 7.175 1.00 0.00 H new ATOM 0 HD2 TYR A 52 2.432 -1.998 8.054 1.00 0.00 H new ATOM 0 HE1 TYR A 52 5.108 -5.922 9.333 1.00 0.00 H new ATOM 0 HE2 TYR A 52 2.039 -3.096 10.214 1.00 0.00 H new ATOM 0 HH TYR A 52 2.614 -4.725 11.592 1.00 0.00 H new ATOM 725 N GLU A 53 1.500 -3.956 5.330 1.00 0.00 N ATOM 726 CA GLU A 53 0.340 -4.766 5.683 1.00 0.00 C ATOM 727 C GLU A 53 0.300 -6.048 4.856 1.00 0.00 C ATOM 728 O GLU A 53 -0.147 -7.092 5.331 1.00 0.00 O ATOM 729 CB GLU A 53 -0.950 -3.970 5.472 1.00 0.00 C ATOM 730 CG GLU A 53 -2.142 -4.531 6.228 1.00 0.00 C ATOM 731 CD GLU A 53 -1.925 -4.553 7.728 1.00 0.00 C ATOM 732 OE1 GLU A 53 -1.152 -3.709 8.229 1.00 0.00 O ATOM 733 OE2 GLU A 53 -2.527 -5.414 8.402 1.00 0.00 O ATOM 0 H GLU A 53 1.284 -2.984 5.109 1.00 0.00 H new ATOM 0 HA GLU A 53 0.424 -5.035 6.736 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.786 -2.939 5.784 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.183 -3.948 4.407 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.025 -3.933 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.344 -5.544 5.879 1.00 0.00 H new ATOM 740 N ARG A 54 0.769 -5.960 3.616 1.00 0.00 N ATOM 741 CA ARG A 54 0.786 -7.111 2.722 1.00 0.00 C ATOM 742 C ARG A 54 2.111 -7.861 2.826 1.00 0.00 C ATOM 743 O ARG A 54 2.176 -9.065 2.573 1.00 0.00 O ATOM 744 CB ARG A 54 0.552 -6.666 1.277 1.00 0.00 C ATOM 745 CG ARG A 54 -0.915 -6.636 0.879 1.00 0.00 C ATOM 746 CD ARG A 54 -1.081 -6.458 -0.622 1.00 0.00 C ATOM 747 NE ARG A 54 -1.100 -7.737 -1.326 1.00 0.00 N ATOM 748 CZ ARG A 54 -0.714 -7.887 -2.589 1.00 0.00 C ATOM 749 NH1 ARG A 54 -0.281 -6.843 -3.281 1.00 0.00 N ATOM 750 NH2 ARG A 54 -0.760 -9.084 -3.160 1.00 0.00 N ATOM 0 H ARG A 54 1.142 -5.103 3.208 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.017 -7.784 3.022 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.978 -5.672 1.138 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.088 -7.339 0.607 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -1.397 -7.562 1.192 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -1.418 -5.822 1.401 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.007 -5.920 -0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.266 -5.845 -1.007 1.00 0.00 H new ATOM 0 HE ARG A 54 -1.427 -8.560 -0.821 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.243 -5.922 -2.845 1.00 0.00 H new ATOM 0 HH12 ARG A 54 0.015 -6.961 -4.250 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.092 -9.890 -2.630 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.464 -9.198 -4.129 1.00 0.00 H new ATOM 764 N ARG A 55 3.164 -7.142 3.198 1.00 0.00 N ATOM 765 CA ARG A 55 4.488 -7.739 3.334 1.00 0.00 C ATOM 766 C ARG A 55 4.536 -8.689 4.527 1.00 0.00 C ATOM 767 O ARG A 55 4.903 -9.855 4.390 1.00 0.00 O ATOM 768 CB ARG A 55 5.548 -6.648 3.493 1.00 0.00 C ATOM 769 CG ARG A 55 6.921 -7.184 3.867 1.00 0.00 C ATOM 770 CD ARG A 55 7.154 -7.118 5.369 1.00 0.00 C ATOM 771 NE ARG A 55 7.779 -5.860 5.771 1.00 0.00 N ATOM 772 CZ ARG A 55 8.679 -5.764 6.743 1.00 0.00 C ATOM 773 NH1 ARG A 55 9.058 -6.846 7.409 1.00 0.00 N ATOM 774 NH2 ARG A 55 9.202 -4.584 7.051 1.00 0.00 N ATOM 0 H ARG A 55 3.127 -6.145 3.411 1.00 0.00 H new ATOM 0 HA ARG A 55 4.697 -8.310 2.429 1.00 0.00 H new ATOM 0 HB2 ARG A 55 5.627 -6.091 2.560 1.00 0.00 H new ATOM 0 HB3 ARG A 55 5.221 -5.944 4.258 1.00 0.00 H new ATOM 0 HG2 ARG A 55 7.015 -8.216 3.528 1.00 0.00 H new ATOM 0 HG3 ARG A 55 7.690 -6.608 3.353 1.00 0.00 H new ATOM 0 HD2 ARG A 55 6.203 -7.233 5.889 1.00 0.00 H new ATOM 0 HD3 ARG A 55 7.787 -7.951 5.675 1.00 0.00 H new ATOM 0 HE ARG A 55 7.509 -5.009 5.278 1.00 0.00 H new ATOM 0 HH11 ARG A 55 8.658 -7.755 7.175 1.00 0.00 H new ATOM 0 HH12 ARG A 55 9.749 -6.770 8.155 1.00 0.00 H new ATOM 0 HH21 ARG A 55 8.913 -3.749 6.541 1.00 0.00 H new ATOM 0 HH22 ARG A 55 9.893 -4.512 7.798 1.00 0.00 H new ATOM 788 N GLU A 56 4.163 -8.180 5.698 1.00 0.00 N ATOM 789 CA GLU A 56 4.166 -8.983 6.915 1.00 0.00 C ATOM 790 C GLU A 56 2.802 -8.941 7.597 1.00 0.00 C ATOM 791 O GLU A 56 2.441 -9.850 8.344 1.00 0.00 O ATOM 792 CB GLU A 56 5.246 -8.486 7.878 1.00 0.00 C ATOM 793 CG GLU A 56 6.576 -9.204 7.725 1.00 0.00 C ATOM 794 CD GLU A 56 6.573 -10.579 8.366 1.00 0.00 C ATOM 795 OE1 GLU A 56 6.109 -11.537 7.715 1.00 0.00 O ATOM 796 OE2 GLU A 56 7.037 -10.695 9.520 1.00 0.00 O ATOM 0 H GLU A 56 3.855 -7.216 5.829 1.00 0.00 H new ATOM 0 HA GLU A 56 4.383 -10.015 6.639 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.399 -7.418 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.892 -8.609 8.902 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.812 -9.302 6.665 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.365 -8.600 8.173 1.00 0.00 H new ATOM 803 N GLY A 57 2.047 -7.878 7.335 1.00 0.00 N ATOM 804 CA GLY A 57 0.732 -7.736 7.932 1.00 0.00 C ATOM 805 C GLY A 57 -0.170 -8.917 7.634 1.00 0.00 C ATOM 806 O GLY A 57 0.303 -9.992 7.263 1.00 0.00 O ATOM 0 H GLY A 57 2.323 -7.113 6.720 1.00 0.00 H new ATOM 0 HA2 GLY A 57 0.836 -7.626 9.011 1.00 0.00 H new ATOM 0 HA3 GLY A 57 0.265 -6.823 7.562 1.00 0.00 H new ATOM 810 N THR A 58 -1.474 -8.720 7.798 1.00 0.00 N ATOM 811 CA THR A 58 -2.445 -9.779 7.548 1.00 0.00 C ATOM 812 C THR A 58 -3.161 -9.564 6.220 1.00 0.00 C ATOM 813 O THR A 58 -4.026 -10.352 5.837 1.00 0.00 O ATOM 814 CB THR A 58 -3.491 -9.860 8.675 1.00 0.00 C ATOM 815 OG1 THR A 58 -4.290 -8.671 8.689 1.00 0.00 O ATOM 816 CG2 THR A 58 -2.817 -10.040 10.027 1.00 0.00 C ATOM 0 H THR A 58 -1.883 -7.837 8.103 1.00 0.00 H new ATOM 0 HA THR A 58 -1.889 -10.716 7.511 1.00 0.00 H new ATOM 0 HB THR A 58 -4.129 -10.724 8.487 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.721 -8.577 9.564 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.576 -10.095 10.807 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.234 -10.961 10.023 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.158 -9.194 10.220 1.00 0.00 H new ATOM 824 N GLN A 59 -2.796 -8.494 5.521 1.00 0.00 N ATOM 825 CA GLN A 59 -3.405 -8.177 4.235 1.00 0.00 C ATOM 826 C GLN A 59 -4.901 -7.922 4.389 1.00 0.00 C ATOM 827 O GLN A 59 -5.704 -8.367 3.571 1.00 0.00 O ATOM 828 CB GLN A 59 -3.170 -9.316 3.241 1.00 0.00 C ATOM 829 CG GLN A 59 -1.714 -9.742 3.137 1.00 0.00 C ATOM 830 CD GLN A 59 -1.559 -11.221 2.843 1.00 0.00 C ATOM 831 OE1 GLN A 59 -2.532 -11.911 2.538 1.00 0.00 O ATOM 832 NE2 GLN A 59 -0.330 -11.716 2.932 1.00 0.00 N ATOM 0 H GLN A 59 -2.081 -7.832 5.824 1.00 0.00 H new ATOM 0 HA GLN A 59 -2.937 -7.269 3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -3.771 -10.176 3.537 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -3.520 -9.006 2.257 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -1.226 -9.166 2.351 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -1.202 -9.505 4.070 1.00 0.00 H new ATOM 0 HE21 GLN A 59 0.448 -11.108 3.188 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -0.164 -12.705 2.744 1.00 0.00 H new ATOM 841 N ASN A 60 -5.267 -7.202 5.445 1.00 0.00 N ATOM 842 CA ASN A 60 -6.667 -6.888 5.707 1.00 0.00 C ATOM 843 C ASN A 60 -6.809 -5.489 6.300 1.00 0.00 C ATOM 844 O ASN A 60 -6.157 -5.153 7.289 1.00 0.00 O ATOM 845 CB ASN A 60 -7.274 -7.921 6.658 1.00 0.00 C ATOM 846 CG ASN A 60 -6.744 -9.320 6.406 1.00 0.00 C ATOM 847 OD1 ASN A 60 -6.857 -9.848 5.300 1.00 0.00 O ATOM 848 ND2 ASN A 60 -6.164 -9.927 7.435 1.00 0.00 N ATOM 0 H ASN A 60 -4.614 -6.825 6.132 1.00 0.00 H new ATOM 0 HA ASN A 60 -7.204 -6.918 4.759 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.059 -7.634 7.687 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.358 -7.921 6.547 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.790 -10.870 7.326 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -6.093 -9.451 8.334 1.00 0.00 H new ATOM 855 N CYS A 61 -7.666 -4.678 5.689 1.00 0.00 N ATOM 856 CA CYS A 61 -7.895 -3.316 6.155 1.00 0.00 C ATOM 857 C CYS A 61 -8.305 -3.306 7.625 1.00 0.00 C ATOM 858 O CYS A 61 -9.279 -3.942 8.029 1.00 0.00 O ATOM 859 CB CYS A 61 -8.976 -2.639 5.309 1.00 0.00 C ATOM 860 SG CYS A 61 -9.282 -0.898 5.747 1.00 0.00 S ATOM 0 H CYS A 61 -8.214 -4.941 4.870 1.00 0.00 H new ATOM 0 HA CYS A 61 -6.962 -2.762 6.051 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -8.687 -2.693 4.259 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -9.906 -3.197 5.413 1.00 0.00 H new ATOM 865 N PRO A 62 -7.545 -2.566 8.446 1.00 0.00 N ATOM 866 CA PRO A 62 -7.809 -2.454 9.884 1.00 0.00 C ATOM 867 C PRO A 62 -9.076 -1.658 10.180 1.00 0.00 C ATOM 868 O PRO A 62 -9.401 -1.401 11.339 1.00 0.00 O ATOM 869 CB PRO A 62 -6.578 -1.716 10.415 1.00 0.00 C ATOM 870 CG PRO A 62 -6.065 -0.946 9.247 1.00 0.00 C ATOM 871 CD PRO A 62 -6.369 -1.781 8.034 1.00 0.00 C ATOM 0 HA PRO A 62 -7.970 -3.428 10.346 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.839 -1.055 11.241 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.829 -2.414 10.789 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.547 0.029 9.180 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -4.994 -0.766 9.338 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.584 -1.161 7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.530 -2.424 7.768 1.00 0.00 H new ATOM 879 N GLN A 63 -9.786 -1.271 9.125 1.00 0.00 N ATOM 880 CA GLN A 63 -11.017 -0.503 9.274 1.00 0.00 C ATOM 881 C GLN A 63 -12.214 -1.288 8.748 1.00 0.00 C ATOM 882 O GLN A 63 -13.278 -1.306 9.368 1.00 0.00 O ATOM 883 CB GLN A 63 -10.903 0.831 8.535 1.00 0.00 C ATOM 884 CG GLN A 63 -12.218 1.589 8.442 1.00 0.00 C ATOM 885 CD GLN A 63 -12.027 3.093 8.455 1.00 0.00 C ATOM 886 OE1 GLN A 63 -11.689 3.679 9.484 1.00 0.00 O ATOM 887 NE2 GLN A 63 -12.243 3.727 7.308 1.00 0.00 N ATOM 0 H GLN A 63 -9.531 -1.476 8.159 1.00 0.00 H new ATOM 0 HA GLN A 63 -11.170 -0.310 10.336 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.168 1.456 9.042 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -10.526 0.648 7.529 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -12.735 1.300 7.527 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -12.859 1.301 9.275 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -12.522 3.201 6.479 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -12.130 4.739 7.256 1.00 0.00 H new ATOM 896 N CYS A 64 -12.034 -1.936 7.602 1.00 0.00 N ATOM 897 CA CYS A 64 -13.099 -2.722 6.992 1.00 0.00 C ATOM 898 C CYS A 64 -12.682 -4.182 6.845 1.00 0.00 C ATOM 899 O CYS A 64 -13.522 -5.066 6.672 1.00 0.00 O ATOM 900 CB CYS A 64 -13.468 -2.145 5.623 1.00 0.00 C ATOM 901 SG CYS A 64 -12.132 -2.250 4.389 1.00 0.00 S ATOM 0 H CYS A 64 -11.160 -1.932 7.077 1.00 0.00 H new ATOM 0 HA CYS A 64 -13.970 -2.675 7.645 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -14.343 -2.672 5.242 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -13.754 -1.100 5.746 1.00 0.00 H new ATOM 906 N LYS A 65 -11.378 -4.429 6.915 1.00 0.00 N ATOM 907 CA LYS A 65 -10.847 -5.781 6.792 1.00 0.00 C ATOM 908 C LYS A 65 -11.266 -6.412 5.468 1.00 0.00 C ATOM 909 O LYS A 65 -11.835 -7.503 5.440 1.00 0.00 O ATOM 910 CB LYS A 65 -11.329 -6.649 7.957 1.00 0.00 C ATOM 911 CG LYS A 65 -11.217 -5.968 9.310 1.00 0.00 C ATOM 912 CD LYS A 65 -9.859 -6.214 9.947 1.00 0.00 C ATOM 913 CE LYS A 65 -9.870 -5.876 11.430 1.00 0.00 C ATOM 914 NZ LYS A 65 -10.585 -6.909 12.229 1.00 0.00 N ATOM 0 H LYS A 65 -10.669 -3.709 7.056 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.759 -5.720 6.818 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -12.369 -6.928 7.785 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -10.750 -7.572 7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.376 -4.896 9.193 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -12.002 -6.337 9.970 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.577 -7.258 9.813 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.104 -5.612 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.845 -5.784 11.789 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.348 -4.907 11.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -10.400 -6.755 13.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.607 -6.840 12.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -10.248 -7.854 11.955 1.00 0.00 H new ATOM 928 N THR A 66 -10.979 -5.718 4.370 1.00 0.00 N ATOM 929 CA THR A 66 -11.325 -6.210 3.043 1.00 0.00 C ATOM 930 C THR A 66 -10.089 -6.703 2.300 1.00 0.00 C ATOM 931 O THR A 66 -8.969 -6.285 2.593 1.00 0.00 O ATOM 932 CB THR A 66 -12.014 -5.119 2.201 1.00 0.00 C ATOM 933 OG1 THR A 66 -13.109 -4.555 2.932 1.00 0.00 O ATOM 934 CG2 THR A 66 -12.517 -5.689 0.884 1.00 0.00 C ATOM 0 H THR A 66 -10.508 -4.813 4.375 1.00 0.00 H new ATOM 0 HA THR A 66 -12.016 -7.041 3.185 1.00 0.00 H new ATOM 0 HB THR A 66 -11.282 -4.341 1.986 1.00 0.00 H new ATOM 0 HG1 THR A 66 -12.982 -3.587 3.016 1.00 0.00 H new ATOM 0 HG21 THR A 66 -13.000 -4.900 0.307 1.00 0.00 H new ATOM 0 HG22 THR A 66 -11.677 -6.091 0.317 1.00 0.00 H new ATOM 0 HG23 THR A 66 -13.235 -6.485 1.083 1.00 0.00 H new ATOM 942 N ARG A 67 -10.300 -7.595 1.337 1.00 0.00 N ATOM 943 CA ARG A 67 -9.202 -8.146 0.552 1.00 0.00 C ATOM 944 C ARG A 67 -8.406 -7.034 -0.125 1.00 0.00 C ATOM 945 O ARG A 67 -8.979 -6.120 -0.718 1.00 0.00 O ATOM 946 CB ARG A 67 -9.737 -9.119 -0.500 1.00 0.00 C ATOM 947 CG ARG A 67 -10.802 -8.516 -1.401 1.00 0.00 C ATOM 948 CD ARG A 67 -10.877 -9.238 -2.737 1.00 0.00 C ATOM 949 NE ARG A 67 -12.178 -9.071 -3.378 1.00 0.00 N ATOM 950 CZ ARG A 67 -12.392 -9.278 -4.673 1.00 0.00 C ATOM 951 NH1 ARG A 67 -11.395 -9.659 -5.460 1.00 0.00 N ATOM 952 NH2 ARG A 67 -13.604 -9.104 -5.183 1.00 0.00 N ATOM 0 H ARG A 67 -11.221 -7.951 1.082 1.00 0.00 H new ATOM 0 HA ARG A 67 -8.538 -8.683 1.229 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -8.908 -9.468 -1.115 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -10.151 -9.993 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -11.771 -8.566 -0.904 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -10.584 -7.461 -1.568 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.097 -8.860 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -10.681 -10.300 -2.587 1.00 0.00 H new ATOM 0 HE ARG A 67 -12.966 -8.779 -2.800 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -10.462 -9.794 -5.072 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.562 -9.817 -6.454 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -14.373 -8.811 -4.581 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -13.767 -9.263 -6.177 1.00 0.00 H new ATOM 966 N TYR A 68 -7.084 -7.119 -0.032 1.00 0.00 N ATOM 967 CA TYR A 68 -6.209 -6.119 -0.632 1.00 0.00 C ATOM 968 C TYR A 68 -6.022 -6.384 -2.123 1.00 0.00 C ATOM 969 O TYR A 68 -6.569 -7.341 -2.670 1.00 0.00 O ATOM 970 CB TYR A 68 -4.851 -6.111 0.070 1.00 0.00 C ATOM 971 CG TYR A 68 -4.741 -5.073 1.164 1.00 0.00 C ATOM 972 CD1 TYR A 68 -5.802 -4.829 2.027 1.00 0.00 C ATOM 973 CD2 TYR A 68 -3.576 -4.335 1.334 1.00 0.00 C ATOM 974 CE1 TYR A 68 -5.707 -3.881 3.028 1.00 0.00 C ATOM 975 CE2 TYR A 68 -3.471 -3.386 2.333 1.00 0.00 C ATOM 976 CZ TYR A 68 -4.539 -3.163 3.177 1.00 0.00 C ATOM 977 OH TYR A 68 -4.439 -2.218 4.172 1.00 0.00 O ATOM 0 H TYR A 68 -6.594 -7.871 0.453 1.00 0.00 H new ATOM 0 HA TYR A 68 -6.678 -5.143 -0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -4.666 -7.097 0.496 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -4.070 -5.932 -0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.718 -5.390 1.914 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -2.738 -4.506 0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.542 -3.704 3.689 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -2.558 -2.822 2.452 1.00 0.00 H new ATOM 0 HH TYR A 68 -3.552 -1.803 4.141 1.00 0.00 H new ATOM 987 N LYS A 69 -5.243 -5.527 -2.776 1.00 0.00 N ATOM 988 CA LYS A 69 -4.980 -5.667 -4.203 1.00 0.00 C ATOM 989 C LYS A 69 -3.603 -5.118 -4.559 1.00 0.00 C ATOM 990 O LYS A 69 -3.178 -4.090 -4.029 1.00 0.00 O ATOM 991 CB LYS A 69 -6.056 -4.942 -5.015 1.00 0.00 C ATOM 992 CG LYS A 69 -5.864 -3.436 -5.069 1.00 0.00 C ATOM 993 CD LYS A 69 -6.158 -2.788 -3.726 1.00 0.00 C ATOM 994 CE LYS A 69 -6.527 -1.321 -3.884 1.00 0.00 C ATOM 995 NZ LYS A 69 -7.457 -0.864 -2.814 1.00 0.00 N ATOM 0 H LYS A 69 -4.783 -4.728 -2.339 1.00 0.00 H new ATOM 0 HA LYS A 69 -5.003 -6.729 -4.448 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.060 -5.336 -6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.033 -5.160 -4.584 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -4.840 -3.209 -5.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.519 -3.012 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -6.974 -3.319 -3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -5.285 -2.877 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.622 -0.714 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.990 -1.166 -4.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.031 -0.072 -3.168 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -8.082 -1.648 -2.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -6.909 -0.552 -1.987 1.00 0.00 H new ATOM 1009 N ARG A 70 -2.910 -5.807 -5.459 1.00 0.00 N ATOM 1010 CA ARG A 70 -1.580 -5.387 -5.886 1.00 0.00 C ATOM 1011 C ARG A 70 -1.579 -3.916 -6.291 1.00 0.00 C ATOM 1012 O ARG A 70 -2.348 -3.499 -7.158 1.00 0.00 O ATOM 1013 CB ARG A 70 -1.100 -6.250 -7.054 1.00 0.00 C ATOM 1014 CG ARG A 70 0.414 -6.351 -7.154 1.00 0.00 C ATOM 1015 CD ARG A 70 0.843 -7.662 -7.794 1.00 0.00 C ATOM 1016 NE ARG A 70 0.956 -7.551 -9.246 1.00 0.00 N ATOM 1017 CZ ARG A 70 2.015 -7.041 -9.864 1.00 0.00 C ATOM 1018 NH1 ARG A 70 3.048 -6.598 -9.160 1.00 0.00 N ATOM 1019 NH2 ARG A 70 2.043 -6.974 -11.189 1.00 0.00 N ATOM 0 H ARG A 70 -3.247 -6.659 -5.907 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.898 -5.515 -5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.517 -7.252 -6.950 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -1.491 -5.837 -7.984 1.00 0.00 H new ATOM 0 HG2 ARG A 70 0.798 -5.516 -7.740 1.00 0.00 H new ATOM 0 HG3 ARG A 70 0.852 -6.270 -6.159 1.00 0.00 H new ATOM 0 HD2 ARG A 70 1.802 -7.972 -7.378 1.00 0.00 H new ATOM 0 HD3 ARG A 70 0.122 -8.440 -7.545 1.00 0.00 H new ATOM 0 HE ARG A 70 0.179 -7.884 -9.817 1.00 0.00 H new ATOM 0 HH11 ARG A 70 3.030 -6.649 -8.141 1.00 0.00 H new ATOM 0 HH12 ARG A 70 3.860 -6.207 -9.637 1.00 0.00 H new ATOM 0 HH21 ARG A 70 1.251 -7.314 -11.734 1.00 0.00 H new ATOM 0 HH22 ARG A 70 2.857 -6.582 -11.663 1.00 0.00 H new ATOM 1033 N LEU A 71 -0.711 -3.134 -5.659 1.00 0.00 N ATOM 1034 CA LEU A 71 -0.609 -1.709 -5.953 1.00 0.00 C ATOM 1035 C LEU A 71 0.715 -1.388 -6.639 1.00 0.00 C ATOM 1036 O LEU A 71 1.645 -2.195 -6.624 1.00 0.00 O ATOM 1037 CB LEU A 71 -0.742 -0.892 -4.667 1.00 0.00 C ATOM 1038 CG LEU A 71 -2.112 -0.926 -3.988 1.00 0.00 C ATOM 1039 CD1 LEU A 71 -2.160 0.060 -2.832 1.00 0.00 C ATOM 1040 CD2 LEU A 71 -3.213 -0.625 -4.994 1.00 0.00 C ATOM 0 H LEU A 71 -0.067 -3.463 -4.939 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.421 -1.444 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.003 -1.248 -3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -0.496 0.146 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.274 -1.928 -3.590 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.142 0.021 -2.361 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.396 -0.201 -2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.976 1.067 -3.205 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.181 -0.653 -4.494 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.055 0.365 -5.422 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.193 -1.371 -5.789 1.00 0.00 H new ATOM 1052 N ARG A 72 0.794 -0.203 -7.236 1.00 0.00 N ATOM 1053 CA ARG A 72 2.005 0.225 -7.926 1.00 0.00 C ATOM 1054 C ARG A 72 3.220 0.120 -7.008 1.00 0.00 C ATOM 1055 O ARG A 72 4.337 -0.116 -7.465 1.00 0.00 O ATOM 1056 CB ARG A 72 1.852 1.663 -8.424 1.00 0.00 C ATOM 1057 CG ARG A 72 1.785 2.691 -7.307 1.00 0.00 C ATOM 1058 CD ARG A 72 0.348 3.000 -6.918 1.00 0.00 C ATOM 1059 NE ARG A 72 -0.443 3.453 -8.060 1.00 0.00 N ATOM 1060 CZ ARG A 72 -1.767 3.374 -8.114 1.00 0.00 C ATOM 1061 NH1 ARG A 72 -2.447 2.864 -7.096 1.00 0.00 N ATOM 1062 NH2 ARG A 72 -2.416 3.807 -9.187 1.00 0.00 N ATOM 0 H ARG A 72 0.034 0.477 -7.256 1.00 0.00 H new ATOM 0 HA ARG A 72 2.159 -0.434 -8.780 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.691 1.903 -9.077 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.947 1.735 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.327 2.320 -6.437 1.00 0.00 H new ATOM 0 HG3 ARG A 72 2.282 3.608 -7.625 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.111 2.109 -6.490 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.339 3.767 -6.144 1.00 0.00 H new ATOM 0 HE ARG A 72 0.049 3.852 -8.859 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.953 2.531 -6.268 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.464 2.805 -7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -1.898 4.201 -9.972 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -3.433 3.746 -9.227 1.00 0.00 H new ATOM 1076 N GLY A 73 2.992 0.299 -5.710 1.00 0.00 N ATOM 1077 CA GLY A 73 4.076 0.221 -4.749 1.00 0.00 C ATOM 1078 C GLY A 73 4.161 -1.135 -4.078 1.00 0.00 C ATOM 1079 O GLY A 73 5.232 -1.738 -4.013 1.00 0.00 O ATOM 0 H GLY A 73 2.076 0.497 -5.307 1.00 0.00 H new ATOM 0 HA2 GLY A 73 5.019 0.433 -5.252 1.00 0.00 H new ATOM 0 HA3 GLY A 73 3.940 0.991 -3.989 1.00 0.00 H new ATOM 1083 N SER A 74 3.028 -1.617 -3.577 1.00 0.00 N ATOM 1084 CA SER A 74 2.979 -2.909 -2.902 1.00 0.00 C ATOM 1085 C SER A 74 3.361 -4.036 -3.858 1.00 0.00 C ATOM 1086 O SER A 74 2.631 -4.366 -4.793 1.00 0.00 O ATOM 1087 CB SER A 74 1.581 -3.159 -2.334 1.00 0.00 C ATOM 1088 OG SER A 74 0.675 -3.538 -3.356 1.00 0.00 O ATOM 0 H SER A 74 2.132 -1.132 -3.626 1.00 0.00 H new ATOM 0 HA SER A 74 3.698 -2.891 -2.083 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.627 -3.941 -1.577 1.00 0.00 H new ATOM 0 HB3 SER A 74 1.220 -2.257 -1.839 1.00 0.00 H new ATOM 0 HG SER A 74 1.080 -4.238 -3.910 1.00 0.00 H new ATOM 1094 N PRO A 75 4.534 -4.641 -3.619 1.00 0.00 N ATOM 1095 CA PRO A 75 5.041 -5.740 -4.446 1.00 0.00 C ATOM 1096 C PRO A 75 4.232 -7.020 -4.268 1.00 0.00 C ATOM 1097 O PRO A 75 3.564 -7.207 -3.250 1.00 0.00 O ATOM 1098 CB PRO A 75 6.471 -5.936 -3.938 1.00 0.00 C ATOM 1099 CG PRO A 75 6.449 -5.428 -2.538 1.00 0.00 C ATOM 1100 CD PRO A 75 5.456 -4.299 -2.522 1.00 0.00 C ATOM 0 HA PRO A 75 4.980 -5.511 -5.510 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.763 -6.985 -3.974 1.00 0.00 H new ATOM 0 HB3 PRO A 75 7.187 -5.385 -4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 75 6.157 -6.214 -1.842 1.00 0.00 H new ATOM 0 HG3 PRO A 75 7.437 -5.083 -2.233 1.00 0.00 H new ATOM 0 HD2 PRO A 75 4.937 -4.234 -1.566 1.00 0.00 H new ATOM 0 HD3 PRO A 75 5.939 -3.336 -2.688 1.00 0.00 H new ATOM 1108 N ARG A 76 4.297 -7.899 -5.262 1.00 0.00 N ATOM 1109 CA ARG A 76 3.570 -9.162 -5.215 1.00 0.00 C ATOM 1110 C ARG A 76 3.898 -9.931 -3.938 1.00 0.00 C ATOM 1111 O ARG A 76 5.006 -9.834 -3.410 1.00 0.00 O ATOM 1112 CB ARG A 76 3.908 -10.016 -6.438 1.00 0.00 C ATOM 1113 CG ARG A 76 3.559 -11.486 -6.270 1.00 0.00 C ATOM 1114 CD ARG A 76 4.723 -12.272 -5.688 1.00 0.00 C ATOM 1115 NE ARG A 76 5.711 -12.621 -6.705 1.00 0.00 N ATOM 1116 CZ ARG A 76 6.956 -12.989 -6.425 1.00 0.00 C ATOM 1117 NH1 ARG A 76 7.363 -13.057 -5.165 1.00 0.00 N ATOM 1118 NH2 ARG A 76 7.797 -13.292 -7.406 1.00 0.00 N ATOM 0 H ARG A 76 4.846 -7.760 -6.110 1.00 0.00 H new ATOM 0 HA ARG A 76 2.503 -8.938 -5.220 1.00 0.00 H new ATOM 0 HB2 ARG A 76 3.376 -9.622 -7.304 1.00 0.00 H new ATOM 0 HB3 ARG A 76 4.973 -9.926 -6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 76 2.691 -11.583 -5.618 1.00 0.00 H new ATOM 0 HG3 ARG A 76 3.281 -11.908 -7.236 1.00 0.00 H new ATOM 0 HD2 ARG A 76 5.201 -11.684 -4.905 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.348 -13.182 -5.220 1.00 0.00 H new ATOM 0 HE ARG A 76 5.429 -12.580 -7.685 1.00 0.00 H new ATOM 0 HH11 ARG A 76 6.719 -12.826 -4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.320 -13.340 -4.953 1.00 0.00 H new ATOM 0 HH21 ARG A 76 7.487 -13.242 -8.377 1.00 0.00 H new ATOM 0 HH22 ARG A 76 8.753 -13.574 -7.189 1.00 0.00 H new ATOM 1132 N VAL A 77 2.927 -10.693 -3.446 1.00 0.00 N ATOM 1133 CA VAL A 77 3.112 -11.479 -2.232 1.00 0.00 C ATOM 1134 C VAL A 77 2.370 -12.808 -2.319 1.00 0.00 C ATOM 1135 O VAL A 77 1.560 -13.019 -3.220 1.00 0.00 O ATOM 1136 CB VAL A 77 2.625 -10.712 -0.988 1.00 0.00 C ATOM 1137 CG1 VAL A 77 3.485 -9.479 -0.750 1.00 0.00 C ATOM 1138 CG2 VAL A 77 1.160 -10.330 -1.137 1.00 0.00 C ATOM 0 H VAL A 77 2.003 -10.783 -3.870 1.00 0.00 H new ATOM 0 HA VAL A 77 4.181 -11.669 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 77 2.720 -11.365 -0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.126 -8.950 0.133 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.521 -9.782 -0.595 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.425 -8.821 -1.617 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.833 -9.789 -0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 77 1.037 -9.695 -2.015 1.00 0.00 H new ATOM 0 HG23 VAL A 77 0.559 -11.232 -1.254 1.00 0.00 H new ATOM 1148 N GLU A 78 2.652 -13.700 -1.375 1.00 0.00 N ATOM 1149 CA GLU A 78 2.011 -15.009 -1.345 1.00 0.00 C ATOM 1150 C GLU A 78 0.496 -14.870 -1.231 1.00 0.00 C ATOM 1151 O GLU A 78 -0.031 -14.551 -0.166 1.00 0.00 O ATOM 1152 CB GLU A 78 2.548 -15.838 -0.176 1.00 0.00 C ATOM 1153 CG GLU A 78 4.029 -16.158 -0.287 1.00 0.00 C ATOM 1154 CD GLU A 78 4.294 -17.440 -1.053 1.00 0.00 C ATOM 1155 OE1 GLU A 78 3.448 -18.356 -0.988 1.00 0.00 O ATOM 1156 OE2 GLU A 78 5.347 -17.525 -1.718 1.00 0.00 O ATOM 0 H GLU A 78 3.320 -13.540 -0.621 1.00 0.00 H new ATOM 0 HA GLU A 78 2.242 -15.520 -2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.370 -15.297 0.754 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.987 -16.770 -0.115 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.539 -15.332 -0.782 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.454 -16.242 0.713 1.00 0.00 H new ATOM 1163 N GLY A 79 -0.200 -15.113 -2.338 1.00 0.00 N ATOM 1164 CA GLY A 79 -1.647 -15.009 -2.342 1.00 0.00 C ATOM 1165 C GLY A 79 -2.192 -14.543 -3.678 1.00 0.00 C ATOM 1166 O GLY A 79 -3.188 -15.073 -4.169 1.00 0.00 O ATOM 0 H GLY A 79 0.213 -15.380 -3.232 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -2.078 -15.979 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -1.960 -14.314 -1.563 1.00 0.00 H new ATOM 1170 N ASP A 80 -1.538 -13.547 -4.266 1.00 0.00 N ATOM 1171 CA ASP A 80 -1.963 -13.009 -5.553 1.00 0.00 C ATOM 1172 C ASP A 80 -2.280 -14.132 -6.534 1.00 0.00 C ATOM 1173 O ASP A 80 -1.890 -15.281 -6.324 1.00 0.00 O ATOM 1174 CB ASP A 80 -0.877 -12.100 -6.133 1.00 0.00 C ATOM 1175 CG ASP A 80 -1.427 -11.114 -7.145 1.00 0.00 C ATOM 1176 OD1 ASP A 80 -1.606 -11.506 -8.317 1.00 0.00 O ATOM 1177 OD2 ASP A 80 -1.678 -9.951 -6.765 1.00 0.00 O ATOM 0 H ASP A 80 -0.712 -13.096 -3.872 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.869 -12.425 -5.393 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.394 -11.553 -5.323 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.110 -12.712 -6.607 1.00 0.00 H new ATOM 1182 N GLU A 81 -2.992 -13.793 -7.605 1.00 0.00 N ATOM 1183 CA GLU A 81 -3.363 -14.775 -8.617 1.00 0.00 C ATOM 1184 C GLU A 81 -2.203 -15.036 -9.573 1.00 0.00 C ATOM 1185 O GLU A 81 -2.338 -15.788 -10.539 1.00 0.00 O ATOM 1186 CB GLU A 81 -4.587 -14.295 -9.400 1.00 0.00 C ATOM 1187 CG GLU A 81 -5.322 -15.410 -10.124 1.00 0.00 C ATOM 1188 CD GLU A 81 -6.410 -16.038 -9.276 1.00 0.00 C ATOM 1189 OE1 GLU A 81 -6.074 -16.821 -8.362 1.00 0.00 O ATOM 1190 OE2 GLU A 81 -7.599 -15.747 -9.525 1.00 0.00 O ATOM 0 H GLU A 81 -3.323 -12.847 -7.794 1.00 0.00 H new ATOM 0 HA GLU A 81 -3.609 -15.708 -8.109 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -5.276 -13.802 -8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.272 -13.547 -10.127 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.763 -15.015 -11.039 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.608 -16.179 -10.420 1.00 0.00 H new ATOM 1197 N ASP A 82 -1.065 -14.409 -9.298 1.00 0.00 N ATOM 1198 CA ASP A 82 0.119 -14.572 -10.133 1.00 0.00 C ATOM 1199 C ASP A 82 0.604 -16.019 -10.111 1.00 0.00 C ATOM 1200 O ASP A 82 0.435 -16.724 -9.118 1.00 0.00 O ATOM 1201 CB ASP A 82 1.236 -13.640 -9.660 1.00 0.00 C ATOM 1202 CG ASP A 82 0.842 -12.178 -9.739 1.00 0.00 C ATOM 1203 OD1 ASP A 82 0.144 -11.803 -10.705 1.00 0.00 O ATOM 1204 OD2 ASP A 82 1.231 -11.410 -8.835 1.00 0.00 O ATOM 0 H ASP A 82 -0.937 -13.783 -8.503 1.00 0.00 H new ATOM 0 HA ASP A 82 -0.150 -14.313 -11.157 1.00 0.00 H new ATOM 0 HB2 ASP A 82 1.500 -13.887 -8.632 1.00 0.00 H new ATOM 0 HB3 ASP A 82 2.126 -13.807 -10.267 1.00 0.00 H new ATOM 1209 N GLU A 83 1.206 -16.453 -11.214 1.00 0.00 N ATOM 1210 CA GLU A 83 1.713 -17.816 -11.321 1.00 0.00 C ATOM 1211 C GLU A 83 2.557 -18.179 -10.103 1.00 0.00 C ATOM 1212 O GLU A 83 3.460 -17.437 -9.718 1.00 0.00 O ATOM 1213 CB GLU A 83 2.543 -17.976 -12.597 1.00 0.00 C ATOM 1214 CG GLU A 83 3.003 -19.402 -12.848 1.00 0.00 C ATOM 1215 CD GLU A 83 3.975 -19.895 -11.793 1.00 0.00 C ATOM 1216 OE1 GLU A 83 4.782 -19.077 -11.302 1.00 0.00 O ATOM 1217 OE2 GLU A 83 3.930 -21.097 -11.459 1.00 0.00 O ATOM 0 H GLU A 83 1.354 -15.881 -12.045 1.00 0.00 H new ATOM 0 HA GLU A 83 0.859 -18.492 -11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 83 1.953 -17.638 -13.449 1.00 0.00 H new ATOM 0 HB3 GLU A 83 3.416 -17.327 -12.536 1.00 0.00 H new ATOM 0 HG2 GLU A 83 2.135 -20.061 -12.873 1.00 0.00 H new ATOM 0 HG3 GLU A 83 3.476 -19.460 -13.828 1.00 0.00 H new ATOM 1224 N GLU A 84 2.255 -19.326 -9.502 1.00 0.00 N ATOM 1225 CA GLU A 84 2.985 -19.787 -8.327 1.00 0.00 C ATOM 1226 C GLU A 84 3.020 -21.312 -8.272 1.00 0.00 C ATOM 1227 O GLU A 84 2.429 -21.988 -9.114 1.00 0.00 O ATOM 1228 CB GLU A 84 2.345 -19.234 -7.052 1.00 0.00 C ATOM 1229 CG GLU A 84 2.915 -17.895 -6.616 1.00 0.00 C ATOM 1230 CD GLU A 84 4.209 -18.036 -5.839 1.00 0.00 C ATOM 1231 OE1 GLU A 84 5.128 -18.719 -6.336 1.00 0.00 O ATOM 1232 OE2 GLU A 84 4.301 -17.463 -4.733 1.00 0.00 O ATOM 0 H GLU A 84 1.511 -19.952 -9.809 1.00 0.00 H new ATOM 0 HA GLU A 84 4.009 -19.420 -8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 84 1.272 -19.128 -7.211 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.478 -19.956 -6.246 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.090 -17.275 -7.495 1.00 0.00 H new ATOM 0 HG3 GLU A 84 2.181 -17.375 -6.000 1.00 0.00 H new ATOM 1239 N ASP A 85 3.718 -21.846 -7.276 1.00 0.00 N ATOM 1240 CA ASP A 85 3.831 -23.290 -7.110 1.00 0.00 C ATOM 1241 C ASP A 85 2.494 -23.974 -7.376 1.00 0.00 C ATOM 1242 O ASP A 85 1.514 -23.741 -6.667 1.00 0.00 O ATOM 1243 CB ASP A 85 4.318 -23.626 -5.699 1.00 0.00 C ATOM 1244 CG ASP A 85 4.310 -25.117 -5.424 1.00 0.00 C ATOM 1245 OD1 ASP A 85 4.444 -25.899 -6.388 1.00 0.00 O ATOM 1246 OD2 ASP A 85 4.170 -25.501 -4.244 1.00 0.00 O ATOM 0 H ASP A 85 4.214 -21.300 -6.571 1.00 0.00 H new ATOM 0 HA ASP A 85 4.557 -23.658 -7.834 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.329 -23.240 -5.565 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.685 -23.121 -4.969 1.00 0.00 H new ATOM 1251 N ILE A 86 2.460 -24.817 -8.402 1.00 0.00 N ATOM 1252 CA ILE A 86 1.243 -25.534 -8.762 1.00 0.00 C ATOM 1253 C ILE A 86 0.665 -26.273 -7.560 1.00 0.00 C ATOM 1254 O ILE A 86 -0.548 -26.451 -7.452 1.00 0.00 O ATOM 1255 CB ILE A 86 1.499 -26.543 -9.897 1.00 0.00 C ATOM 1256 CG1 ILE A 86 2.581 -27.544 -9.485 1.00 0.00 C ATOM 1257 CG2 ILE A 86 1.899 -25.816 -11.172 1.00 0.00 C ATOM 1258 CD1 ILE A 86 2.737 -28.696 -10.452 1.00 0.00 C ATOM 0 H ILE A 86 3.262 -25.020 -8.999 1.00 0.00 H new ATOM 0 HA ILE A 86 0.527 -24.788 -9.106 1.00 0.00 H new ATOM 0 HB ILE A 86 0.577 -27.092 -10.090 1.00 0.00 H new ATOM 0 HG12 ILE A 86 3.534 -27.022 -9.398 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.342 -27.939 -8.497 1.00 0.00 H new ATOM 0 HG21 ILE A 86 2.077 -26.543 -11.965 1.00 0.00 H new ATOM 0 HG22 ILE A 86 1.098 -25.140 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.809 -25.244 -10.994 1.00 0.00 H new ATOM 0 HD11 ILE A 86 3.521 -29.365 -10.097 1.00 0.00 H new ATOM 0 HD12 ILE A 86 1.797 -29.243 -10.521 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.006 -28.311 -11.436 1.00 0.00 H new ATOM 1270 N ASP A 87 1.542 -26.701 -6.658 1.00 0.00 N ATOM 1271 CA ASP A 87 1.119 -27.419 -5.461 1.00 0.00 C ATOM 1272 C ASP A 87 0.511 -26.462 -4.440 1.00 0.00 C ATOM 1273 O ASP A 87 1.224 -25.699 -3.789 1.00 0.00 O ATOM 1274 CB ASP A 87 2.304 -28.161 -4.841 1.00 0.00 C ATOM 1275 CG ASP A 87 1.882 -29.092 -3.721 1.00 0.00 C ATOM 1276 OD1 ASP A 87 1.303 -28.603 -2.728 1.00 0.00 O ATOM 1277 OD2 ASP A 87 2.130 -30.310 -3.838 1.00 0.00 O ATOM 0 H ASP A 87 2.550 -26.563 -6.733 1.00 0.00 H new ATOM 0 HA ASP A 87 0.358 -28.144 -5.751 1.00 0.00 H new ATOM 0 HB2 ASP A 87 2.814 -28.735 -5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 87 3.022 -27.436 -4.456 1.00 0.00 H new ATOM 1282 N SER A 88 -0.811 -26.509 -4.307 1.00 0.00 N ATOM 1283 CA SER A 88 -1.515 -25.644 -3.368 1.00 0.00 C ATOM 1284 C SER A 88 -2.203 -26.465 -2.283 1.00 0.00 C ATOM 1285 O SER A 88 -2.459 -27.656 -2.458 1.00 0.00 O ATOM 1286 CB SER A 88 -2.547 -24.788 -4.107 1.00 0.00 C ATOM 1287 OG SER A 88 -1.926 -23.700 -4.770 1.00 0.00 O ATOM 0 H SER A 88 -1.415 -27.137 -4.837 1.00 0.00 H new ATOM 0 HA SER A 88 -0.782 -24.991 -2.894 1.00 0.00 H new ATOM 0 HB2 SER A 88 -3.082 -25.402 -4.832 1.00 0.00 H new ATOM 0 HB3 SER A 88 -3.287 -24.413 -3.400 1.00 0.00 H new ATOM 0 HG SER A 88 -2.606 -23.170 -5.236 1.00 0.00 H new ATOM 1293 N GLY A 89 -2.501 -25.819 -1.159 1.00 0.00 N ATOM 1294 CA GLY A 89 -3.156 -26.505 -0.060 1.00 0.00 C ATOM 1295 C GLY A 89 -4.599 -26.848 -0.370 1.00 0.00 C ATOM 1296 O GLY A 89 -5.244 -26.218 -1.208 1.00 0.00 O ATOM 0 H GLY A 89 -2.301 -24.833 -0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.610 -27.420 0.171 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.118 -25.878 0.830 1.00 0.00 H new ATOM 1300 N PRO A 90 -5.128 -27.872 0.316 1.00 0.00 N ATOM 1301 CA PRO A 90 -6.510 -28.323 0.127 1.00 0.00 C ATOM 1302 C PRO A 90 -7.526 -27.316 0.655 1.00 0.00 C ATOM 1303 O PRO A 90 -8.732 -27.484 0.477 1.00 0.00 O ATOM 1304 CB PRO A 90 -6.574 -29.621 0.935 1.00 0.00 C ATOM 1305 CG PRO A 90 -5.514 -29.475 1.971 1.00 0.00 C ATOM 1306 CD PRO A 90 -4.418 -28.668 1.331 1.00 0.00 C ATOM 0 HA PRO A 90 -6.757 -28.449 -0.927 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -7.556 -29.757 1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.393 -30.490 0.303 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.901 -28.973 2.858 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -5.145 -30.449 2.292 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -3.911 -28.033 2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.659 -29.307 0.881 1.00 0.00 H new ATOM 1314 N SER A 91 -7.030 -26.268 1.305 1.00 0.00 N ATOM 1315 CA SER A 91 -7.895 -25.235 1.863 1.00 0.00 C ATOM 1316 C SER A 91 -7.449 -23.848 1.408 1.00 0.00 C ATOM 1317 O SER A 91 -6.254 -23.571 1.309 1.00 0.00 O ATOM 1318 CB SER A 91 -7.893 -25.308 3.391 1.00 0.00 C ATOM 1319 OG SER A 91 -9.093 -24.778 3.929 1.00 0.00 O ATOM 0 H SER A 91 -6.034 -26.112 1.458 1.00 0.00 H new ATOM 0 HA SER A 91 -8.908 -25.409 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.775 -26.344 3.708 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.040 -24.755 3.783 1.00 0.00 H new ATOM 0 HG SER A 91 -9.068 -24.838 4.907 1.00 0.00 H new ATOM 1325 N SER A 92 -8.419 -22.982 1.133 1.00 0.00 N ATOM 1326 CA SER A 92 -8.127 -21.625 0.685 1.00 0.00 C ATOM 1327 C SER A 92 -8.210 -20.640 1.847 1.00 0.00 C ATOM 1328 O SER A 92 -9.258 -20.048 2.099 1.00 0.00 O ATOM 1329 CB SER A 92 -9.100 -21.211 -0.421 1.00 0.00 C ATOM 1330 OG SER A 92 -8.931 -22.014 -1.576 1.00 0.00 O ATOM 0 H SER A 92 -9.413 -23.195 1.212 1.00 0.00 H new ATOM 0 HA SER A 92 -7.111 -21.609 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 92 -10.125 -21.299 -0.060 1.00 0.00 H new ATOM 0 HB3 SER A 92 -8.941 -20.163 -0.676 1.00 0.00 H new ATOM 0 HG SER A 92 -9.565 -21.731 -2.267 1.00 0.00 H new ATOM 1336 N GLY A 93 -7.095 -20.470 2.551 1.00 0.00 N ATOM 1337 CA GLY A 93 -7.062 -19.556 3.678 1.00 0.00 C ATOM 1338 C GLY A 93 -6.160 -18.363 3.431 1.00 0.00 C ATOM 1339 O GLY A 93 -5.038 -18.548 2.962 1.00 0.00 O ATOM 0 H GLY A 93 -6.214 -20.949 2.361 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.073 -19.206 3.888 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -6.719 -20.089 4.565 1.00 0.00 H new TER 1343 GLY A 93 HETATM 1344 ZN ZN A 201 0.562 5.844 7.496 1.00 0.00 ZN HETATM 1345 ZN ZN A 401 -10.895 -0.292 4.117 1.00 0.00 ZN