USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 808 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 30 MET CE :methyl -158:sc= -6.12! (180deg=-6.72!) USER MOD Set 1.2: A 31 ASN : amide:sc= -2.33 K(o=-11,f=-16!) USER MOD Set 1.3: A 34 ASN : amide:sc= -2.59 K(o=-11,f=-13!) USER MOD Single : A 13 SER OG : rot 78:sc= 1.87 USER MOD Single : A 16 LYS NZ :NH3+ -147:sc= 1.21 (180deg=-0.371) USER MOD Single : A 20 HIS : no HD1:sc= -0.794 K(o=-0.79,f=-1.6) USER MOD Single : A 24 LYS NZ :NH3+ -152:sc= 1.27 (180deg=-0.262) USER MOD Single : A 26 SER OG : rot -2:sc= 1.18 USER MOD Single : A 28 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -179:sc= -0.059 (180deg=-0.0626) USER MOD Single : A 39 CYS SG : rot 5:sc= -1.9! USER MOD Single : A 40 LYS NZ :NH3+ -115:sc= -0.298 (180deg=-1.53!) USER MOD Single : A 42 CYS SG : rot -84:sc= -6.48! USER MOD Single : A 43 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.0535) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 169:sc= -0.313 (180deg=-0.352) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -173:sc=-0.00363 (180deg=-0.0593) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -2.1 K(o=-2.1,f=-4.7!) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 163:sc= 0.975 (180deg=0.713) USER MOD Single : A 84 THR OG1 : rot -30:sc= 1.18 USER MOD Single : A 85 LYS NZ :NH3+ 160:sc= 0.337 (180deg=0.182) USER MOD Single : A 88 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0281) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -154:sc= -1.19 USER MOD Single : A 92 LYS NZ :NH3+ 148:sc= 1.2 (180deg=0.847) USER MOD Single : A 100 CYS SG : rot -100:sc= -2.25 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= -0.0926 (180deg=-0.474) USER MOD ----------------------------------------------------------------- ATOM 77 N ILE A 7 12.807 1.060 -0.206 1.00 0.00 N ATOM 78 CA ILE A 7 12.968 -0.198 0.529 1.00 0.00 C ATOM 79 C ILE A 7 12.810 -1.403 -0.414 1.00 0.00 C ATOM 80 O ILE A 7 11.721 -1.656 -0.938 1.00 0.00 O ATOM 81 CB ILE A 7 11.940 -0.313 1.688 1.00 0.00 C ATOM 82 CG1 ILE A 7 12.060 0.888 2.646 1.00 0.00 C ATOM 83 CG2 ILE A 7 12.120 -1.631 2.446 1.00 0.00 C ATOM 84 CD1 ILE A 7 13.404 0.991 3.341 1.00 0.00 C ATOM 0 HA ILE A 7 13.972 -0.199 0.952 1.00 0.00 H new ATOM 0 HB ILE A 7 10.940 -0.304 1.255 1.00 0.00 H new ATOM 0 HG12 ILE A 7 11.881 1.806 2.086 1.00 0.00 H new ATOM 0 HG13 ILE A 7 11.277 0.817 3.401 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.389 -1.689 3.253 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.973 -2.467 1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 7 13.126 -1.676 2.863 1.00 0.00 H new ATOM 0 HD11 ILE A 7 13.408 1.861 3.997 1.00 0.00 H new ATOM 0 HD12 ILE A 7 13.579 0.091 3.931 1.00 0.00 H new ATOM 0 HD13 ILE A 7 14.192 1.095 2.595 1.00 0.00 H new ATOM 96 N ALA A 8 13.896 -2.146 -0.622 1.00 0.00 N ATOM 97 CA ALA A 8 13.890 -3.306 -1.524 1.00 0.00 C ATOM 98 C ALA A 8 12.843 -4.353 -1.107 1.00 0.00 C ATOM 99 O ALA A 8 12.065 -4.832 -1.936 1.00 0.00 O ATOM 100 CB ALA A 8 15.277 -3.935 -1.577 1.00 0.00 C ATOM 0 H ALA A 8 14.797 -1.967 -0.178 1.00 0.00 H new ATOM 0 HA ALA A 8 13.617 -2.951 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 8 15.262 -4.794 -2.248 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.995 -3.201 -1.943 1.00 0.00 H new ATOM 0 HB3 ALA A 8 15.567 -4.260 -0.578 1.00 0.00 H new ATOM 106 N GLY A 9 12.826 -4.698 0.183 1.00 0.00 N ATOM 107 CA GLY A 9 11.834 -5.640 0.700 1.00 0.00 C ATOM 108 C GLY A 9 10.395 -5.195 0.442 1.00 0.00 C ATOM 109 O GLY A 9 9.493 -6.021 0.289 1.00 0.00 O ATOM 0 H GLY A 9 13.480 -4.343 0.880 1.00 0.00 H new ATOM 0 HA2 GLY A 9 11.994 -6.616 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 9 11.983 -5.764 1.773 1.00 0.00 H new ATOM 113 N LEU A 10 10.184 -3.881 0.389 1.00 0.00 N ATOM 114 CA LEU A 10 8.862 -3.316 0.102 1.00 0.00 C ATOM 115 C LEU A 10 8.489 -3.529 -1.372 1.00 0.00 C ATOM 116 O LEU A 10 7.372 -3.939 -1.686 1.00 0.00 O ATOM 117 CB LEU A 10 8.837 -1.819 0.446 1.00 0.00 C ATOM 118 CG LEU A 10 7.473 -1.126 0.288 1.00 0.00 C ATOM 119 CD1 LEU A 10 6.446 -1.724 1.246 1.00 0.00 C ATOM 120 CD2 LEU A 10 7.611 0.378 0.507 1.00 0.00 C ATOM 0 H LEU A 10 10.913 -3.184 0.541 1.00 0.00 H new ATOM 0 HA LEU A 10 8.127 -3.831 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 10 9.171 -1.695 1.476 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.561 -1.306 -0.187 1.00 0.00 H new ATOM 0 HG LEU A 10 7.119 -1.293 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 10 5.489 -1.218 1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.326 -2.786 1.034 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.788 -1.595 2.273 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.637 0.853 0.392 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.990 0.566 1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.305 0.790 -0.226 1.00 0.00 H new ATOM 132 N GLU A 11 9.439 -3.263 -2.270 1.00 0.00 N ATOM 133 CA GLU A 11 9.232 -3.483 -3.708 1.00 0.00 C ATOM 134 C GLU A 11 8.900 -4.953 -4.005 1.00 0.00 C ATOM 135 O GLU A 11 7.967 -5.255 -4.751 1.00 0.00 O ATOM 136 CB GLU A 11 10.480 -3.075 -4.500 1.00 0.00 C ATOM 137 CG GLU A 11 10.353 -3.306 -6.007 1.00 0.00 C ATOM 138 CD GLU A 11 11.666 -3.116 -6.744 1.00 0.00 C ATOM 139 OE1 GLU A 11 12.435 -4.096 -6.855 1.00 0.00 O ATOM 140 OE2 GLU A 11 11.937 -1.991 -7.208 1.00 0.00 O ATOM 0 H GLU A 11 10.360 -2.895 -2.030 1.00 0.00 H new ATOM 0 HA GLU A 11 8.388 -2.865 -4.015 1.00 0.00 H new ATOM 0 HB2 GLU A 11 10.686 -2.020 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 11 11.337 -3.636 -4.126 1.00 0.00 H new ATOM 0 HG2 GLU A 11 9.984 -4.316 -6.185 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.611 -2.619 -6.414 1.00 0.00 H new ATOM 147 N GLU A 12 9.677 -5.857 -3.414 1.00 0.00 N ATOM 148 CA GLU A 12 9.475 -7.295 -3.596 1.00 0.00 C ATOM 149 C GLU A 12 8.050 -7.711 -3.189 1.00 0.00 C ATOM 150 O GLU A 12 7.358 -8.419 -3.925 1.00 0.00 O ATOM 151 CB GLU A 12 10.515 -8.072 -2.774 1.00 0.00 C ATOM 152 CG GLU A 12 10.503 -9.574 -3.025 1.00 0.00 C ATOM 153 CD GLU A 12 10.775 -9.925 -4.481 1.00 0.00 C ATOM 154 OE1 GLU A 12 11.922 -9.739 -4.936 1.00 0.00 O ATOM 155 OE2 GLU A 12 9.841 -10.378 -5.178 1.00 0.00 O ATOM 0 H GLU A 12 10.457 -5.619 -2.801 1.00 0.00 H new ATOM 0 HA GLU A 12 9.602 -7.531 -4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 12 11.508 -7.683 -3.002 1.00 0.00 H new ATOM 0 HB3 GLU A 12 10.336 -7.889 -1.714 1.00 0.00 H new ATOM 0 HG2 GLU A 12 11.253 -10.050 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 12 9.535 -9.980 -2.732 1.00 0.00 H new ATOM 162 N SER A 13 7.616 -7.248 -2.019 1.00 0.00 N ATOM 163 CA SER A 13 6.255 -7.521 -1.530 1.00 0.00 C ATOM 164 C SER A 13 5.206 -6.874 -2.447 1.00 0.00 C ATOM 165 O SER A 13 4.183 -7.482 -2.771 1.00 0.00 O ATOM 166 CB SER A 13 6.085 -6.992 -0.099 1.00 0.00 C ATOM 167 OG SER A 13 7.108 -7.484 0.756 1.00 0.00 O ATOM 0 H SER A 13 8.182 -6.682 -1.388 1.00 0.00 H new ATOM 0 HA SER A 13 6.106 -8.601 -1.533 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.107 -5.902 -0.106 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.110 -7.289 0.288 1.00 0.00 H new ATOM 0 HG SER A 13 7.935 -6.983 0.598 1.00 0.00 H new ATOM 173 N PHE A 14 5.484 -5.636 -2.861 1.00 0.00 N ATOM 174 CA PHE A 14 4.624 -4.903 -3.798 1.00 0.00 C ATOM 175 C PHE A 14 4.375 -5.714 -5.075 1.00 0.00 C ATOM 176 O PHE A 14 3.242 -5.824 -5.536 1.00 0.00 O ATOM 177 CB PHE A 14 5.267 -3.545 -4.136 1.00 0.00 C ATOM 178 CG PHE A 14 4.574 -2.776 -5.237 1.00 0.00 C ATOM 179 CD1 PHE A 14 3.358 -2.147 -5.010 1.00 0.00 C ATOM 180 CD2 PHE A 14 5.146 -2.682 -6.500 1.00 0.00 C ATOM 181 CE1 PHE A 14 2.730 -1.440 -6.019 1.00 0.00 C ATOM 182 CE2 PHE A 14 4.521 -1.976 -7.510 1.00 0.00 C ATOM 183 CZ PHE A 14 3.310 -1.354 -7.270 1.00 0.00 C ATOM 0 H PHE A 14 6.307 -5.114 -2.559 1.00 0.00 H new ATOM 0 HA PHE A 14 3.658 -4.735 -3.322 1.00 0.00 H new ATOM 0 HB2 PHE A 14 5.281 -2.931 -3.236 1.00 0.00 H new ATOM 0 HB3 PHE A 14 6.305 -3.711 -4.425 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.897 -2.210 -4.035 1.00 0.00 H new ATOM 0 HD2 PHE A 14 6.091 -3.167 -6.695 1.00 0.00 H new ATOM 0 HE1 PHE A 14 1.784 -0.954 -5.829 1.00 0.00 H new ATOM 0 HE2 PHE A 14 4.978 -1.910 -8.486 1.00 0.00 H new ATOM 0 HZ PHE A 14 2.819 -0.803 -8.058 1.00 0.00 H new ATOM 193 N ARG A 15 5.438 -6.287 -5.631 1.00 0.00 N ATOM 194 CA ARG A 15 5.326 -7.144 -6.815 1.00 0.00 C ATOM 195 C ARG A 15 4.412 -8.349 -6.556 1.00 0.00 C ATOM 196 O ARG A 15 3.432 -8.556 -7.269 1.00 0.00 O ATOM 197 CB ARG A 15 6.711 -7.634 -7.253 1.00 0.00 C ATOM 198 CG ARG A 15 7.562 -6.568 -7.930 1.00 0.00 C ATOM 199 CD ARG A 15 8.972 -7.076 -8.212 1.00 0.00 C ATOM 200 NE ARG A 15 9.753 -6.132 -9.010 1.00 0.00 N ATOM 201 CZ ARG A 15 10.895 -6.415 -9.573 1.00 0.00 C ATOM 202 NH1 ARG A 15 11.449 -7.578 -9.412 1.00 0.00 N ATOM 203 NH2 ARG A 15 11.497 -5.523 -10.292 1.00 0.00 N ATOM 0 H ARG A 15 6.390 -6.175 -5.283 1.00 0.00 H new ATOM 0 HA ARG A 15 4.883 -6.545 -7.611 1.00 0.00 H new ATOM 0 HB2 ARG A 15 7.245 -8.009 -6.380 1.00 0.00 H new ATOM 0 HB3 ARG A 15 6.588 -8.474 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 15 7.090 -6.263 -8.864 1.00 0.00 H new ATOM 0 HG3 ARG A 15 7.613 -5.684 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 15 9.485 -7.261 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 15 8.914 -8.030 -8.736 1.00 0.00 H new ATOM 0 HE ARG A 15 9.380 -5.191 -9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 15 10.991 -8.286 -8.838 1.00 0.00 H new ATOM 0 HH12 ARG A 15 12.342 -7.784 -9.859 1.00 0.00 H new ATOM 0 HH21 ARG A 15 11.078 -4.601 -10.417 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.390 -5.742 -10.733 1.00 0.00 H new ATOM 217 N LYS A 16 4.729 -9.129 -5.522 1.00 0.00 N ATOM 218 CA LYS A 16 3.999 -10.372 -5.230 1.00 0.00 C ATOM 219 C LYS A 16 2.486 -10.134 -5.074 1.00 0.00 C ATOM 220 O LYS A 16 1.672 -11.002 -5.404 1.00 0.00 O ATOM 221 CB LYS A 16 4.564 -11.040 -3.970 1.00 0.00 C ATOM 222 CG LYS A 16 6.064 -11.322 -4.046 1.00 0.00 C ATOM 223 CD LYS A 16 6.540 -12.211 -2.900 1.00 0.00 C ATOM 224 CE LYS A 16 8.061 -12.316 -2.859 1.00 0.00 C ATOM 225 NZ LYS A 16 8.646 -12.597 -4.198 1.00 0.00 N ATOM 0 H LYS A 16 5.486 -8.925 -4.870 1.00 0.00 H new ATOM 0 HA LYS A 16 4.138 -11.036 -6.083 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.366 -10.400 -3.110 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.035 -11.977 -3.798 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.294 -11.803 -4.997 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.611 -10.380 -4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 16 6.178 -11.809 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.110 -13.206 -3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.476 -11.386 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.349 -13.107 -2.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.497 -13.184 -4.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.950 -13.102 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 8.901 -11.701 -4.661 1.00 0.00 H new ATOM 239 N PHE A 17 2.108 -8.966 -4.562 1.00 0.00 N ATOM 240 CA PHE A 17 0.696 -8.580 -4.492 1.00 0.00 C ATOM 241 C PHE A 17 0.198 -8.016 -5.839 1.00 0.00 C ATOM 242 O PHE A 17 -0.842 -8.433 -6.342 1.00 0.00 O ATOM 243 CB PHE A 17 0.463 -7.553 -3.372 1.00 0.00 C ATOM 244 CG PHE A 17 0.145 -8.165 -2.027 1.00 0.00 C ATOM 245 CD1 PHE A 17 -1.129 -8.654 -1.762 1.00 0.00 C ATOM 246 CD2 PHE A 17 1.105 -8.235 -1.025 1.00 0.00 C ATOM 247 CE1 PHE A 17 -1.438 -9.199 -0.532 1.00 0.00 C ATOM 248 CE2 PHE A 17 0.799 -8.783 0.210 1.00 0.00 C ATOM 249 CZ PHE A 17 -0.474 -9.266 0.456 1.00 0.00 C ATOM 0 H PHE A 17 2.755 -8.270 -4.190 1.00 0.00 H new ATOM 0 HA PHE A 17 0.124 -9.480 -4.267 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.352 -6.931 -3.274 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -0.356 -6.895 -3.662 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.888 -8.607 -2.529 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.100 -7.858 -1.211 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.433 -9.573 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.554 -8.833 0.981 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.714 -9.694 1.418 1.00 0.00 H new ATOM 259 N ALA A 18 0.952 -7.083 -6.422 1.00 0.00 N ATOM 260 CA ALA A 18 0.566 -6.426 -7.685 1.00 0.00 C ATOM 261 C ALA A 18 0.297 -7.434 -8.814 1.00 0.00 C ATOM 262 O ALA A 18 -0.649 -7.280 -9.589 1.00 0.00 O ATOM 263 CB ALA A 18 1.648 -5.437 -8.118 1.00 0.00 C ATOM 0 H ALA A 18 1.841 -6.759 -6.041 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.366 -5.893 -7.496 1.00 0.00 H new ATOM 0 HB1 ALA A 18 1.351 -4.959 -9.051 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.777 -4.678 -7.346 1.00 0.00 H new ATOM 0 HB3 ALA A 18 2.588 -5.968 -8.265 1.00 0.00 H new ATOM 269 N ILE A 19 1.131 -8.469 -8.890 1.00 0.00 N ATOM 270 CA ILE A 19 1.027 -9.485 -9.947 1.00 0.00 C ATOM 271 C ILE A 19 0.302 -10.740 -9.434 1.00 0.00 C ATOM 272 O ILE A 19 0.296 -11.789 -10.082 1.00 0.00 O ATOM 273 CB ILE A 19 2.432 -9.881 -10.485 1.00 0.00 C ATOM 274 CG1 ILE A 19 3.207 -10.710 -9.443 1.00 0.00 C ATOM 275 CG2 ILE A 19 3.228 -8.630 -10.879 1.00 0.00 C ATOM 276 CD1 ILE A 19 4.591 -11.128 -9.895 1.00 0.00 C ATOM 0 H ILE A 19 1.892 -8.631 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 19 0.449 -9.048 -10.761 1.00 0.00 H new ATOM 0 HB ILE A 19 2.294 -10.498 -11.373 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.296 -10.129 -8.525 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.630 -11.602 -9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.208 -8.925 -11.253 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.691 -8.087 -11.657 1.00 0.00 H new ATOM 0 HG23 ILE A 19 3.351 -7.987 -10.007 1.00 0.00 H new ATOM 0 HD11 ILE A 19 5.072 -11.707 -9.107 1.00 0.00 H new ATOM 0 HD12 ILE A 19 4.511 -11.737 -10.796 1.00 0.00 H new ATOM 0 HD13 ILE A 19 5.187 -10.241 -10.108 1.00 0.00 H new ATOM 288 N HIS A 20 -0.327 -10.610 -8.267 1.00 0.00 N ATOM 289 CA HIS A 20 -0.998 -11.728 -7.600 1.00 0.00 C ATOM 290 C HIS A 20 -2.097 -12.349 -8.480 1.00 0.00 C ATOM 291 O HIS A 20 -3.244 -11.895 -8.483 1.00 0.00 O ATOM 292 CB HIS A 20 -1.590 -11.244 -6.270 1.00 0.00 C ATOM 293 CG HIS A 20 -2.052 -12.347 -5.364 1.00 0.00 C ATOM 294 ND1 HIS A 20 -3.378 -12.639 -5.137 1.00 0.00 N ATOM 295 CD2 HIS A 20 -1.346 -13.224 -4.610 1.00 0.00 C ATOM 296 CE1 HIS A 20 -3.470 -13.642 -4.287 1.00 0.00 C ATOM 297 NE2 HIS A 20 -2.252 -14.018 -3.949 1.00 0.00 N ATOM 0 H HIS A 20 -0.387 -9.729 -7.757 1.00 0.00 H new ATOM 0 HA HIS A 20 -0.258 -12.507 -7.415 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.841 -10.649 -5.747 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -2.432 -10.584 -6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.270 -13.287 -4.541 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -4.388 -14.082 -3.928 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -2.021 -14.773 -3.304 1.00 0.00 H new ATOM 306 N GLY A 21 -1.732 -13.381 -9.235 1.00 0.00 N ATOM 307 CA GLY A 21 -2.693 -14.061 -10.099 1.00 0.00 C ATOM 308 C GLY A 21 -2.591 -13.644 -11.565 1.00 0.00 C ATOM 309 O GLY A 21 -3.257 -14.222 -12.425 1.00 0.00 O ATOM 0 H GLY A 21 -0.787 -13.763 -9.267 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -2.540 -15.138 -10.024 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.702 -13.856 -9.740 1.00 0.00 H new ATOM 313 N ASP A 22 -1.756 -12.644 -11.857 1.00 0.00 N ATOM 314 CA ASP A 22 -1.580 -12.155 -13.232 1.00 0.00 C ATOM 315 C ASP A 22 -0.100 -11.944 -13.599 1.00 0.00 C ATOM 316 O ASP A 22 0.460 -10.874 -13.355 1.00 0.00 O ATOM 317 CB ASP A 22 -2.347 -10.842 -13.450 1.00 0.00 C ATOM 318 CG ASP A 22 -3.850 -11.037 -13.469 1.00 0.00 C ATOM 319 OD1 ASP A 22 -4.357 -11.642 -14.438 1.00 0.00 O ATOM 320 OD2 ASP A 22 -4.532 -10.566 -12.537 1.00 0.00 O ATOM 0 H ASP A 22 -1.190 -12.156 -11.163 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.983 -12.930 -13.885 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.086 -10.138 -12.659 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.031 -10.394 -14.392 1.00 0.00 H new ATOM 325 N PRO A 23 0.557 -12.960 -14.195 1.00 0.00 N ATOM 326 CA PRO A 23 1.905 -12.796 -14.778 1.00 0.00 C ATOM 327 C PRO A 23 1.899 -11.800 -15.954 1.00 0.00 C ATOM 328 O PRO A 23 2.945 -11.352 -16.419 1.00 0.00 O ATOM 329 CB PRO A 23 2.266 -14.213 -15.263 1.00 0.00 C ATOM 330 CG PRO A 23 1.344 -15.125 -14.521 1.00 0.00 C ATOM 331 CD PRO A 23 0.073 -14.346 -14.318 1.00 0.00 C ATOM 0 HA PRO A 23 2.620 -12.393 -14.061 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.131 -14.307 -16.340 1.00 0.00 H new ATOM 0 HB3 PRO A 23 3.309 -14.449 -15.051 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.157 -16.037 -15.087 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.776 -15.425 -13.566 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.612 -14.462 -15.158 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -0.461 -14.669 -13.424 1.00 0.00 H new ATOM 339 N LYS A 24 0.695 -11.466 -16.426 1.00 0.00 N ATOM 340 CA LYS A 24 0.509 -10.508 -17.524 1.00 0.00 C ATOM 341 C LYS A 24 0.213 -9.086 -17.011 1.00 0.00 C ATOM 342 O LYS A 24 -0.103 -8.191 -17.798 1.00 0.00 O ATOM 343 CB LYS A 24 -0.646 -10.974 -18.426 1.00 0.00 C ATOM 344 CG LYS A 24 -1.995 -11.072 -17.706 1.00 0.00 C ATOM 345 CD LYS A 24 -3.122 -11.471 -18.658 1.00 0.00 C ATOM 346 CE LYS A 24 -4.473 -11.580 -17.947 1.00 0.00 C ATOM 347 NZ LYS A 24 -4.479 -12.645 -16.907 1.00 0.00 N ATOM 0 H LYS A 24 -0.177 -11.849 -16.061 1.00 0.00 H new ATOM 0 HA LYS A 24 1.441 -10.471 -18.088 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -0.742 -10.283 -19.263 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.397 -11.949 -18.844 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -1.924 -11.803 -16.901 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -2.231 -10.113 -17.246 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.194 -10.736 -19.460 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.881 -12.427 -19.123 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -4.717 -10.623 -17.485 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.252 -11.787 -18.681 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.445 -13.012 -16.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -3.847 -13.418 -17.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -4.149 -12.250 -16.003 1.00 0.00 H new ATOM 361 N ALA A 25 0.311 -8.878 -15.694 1.00 0.00 N ATOM 362 CA ALA A 25 -0.015 -7.577 -15.091 1.00 0.00 C ATOM 363 C ALA A 25 1.002 -6.485 -15.479 1.00 0.00 C ATOM 364 O ALA A 25 0.904 -5.897 -16.555 1.00 0.00 O ATOM 365 CB ALA A 25 -0.127 -7.707 -13.574 1.00 0.00 C ATOM 0 H ALA A 25 0.612 -9.588 -15.026 1.00 0.00 H new ATOM 0 HA ALA A 25 -0.981 -7.264 -15.488 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.369 -6.736 -13.142 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.914 -8.420 -13.327 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.821 -8.059 -13.168 1.00 0.00 H new ATOM 371 N SER A 26 1.984 -6.224 -14.608 1.00 0.00 N ATOM 372 CA SER A 26 3.018 -5.202 -14.867 1.00 0.00 C ATOM 373 C SER A 26 4.216 -5.376 -13.922 1.00 0.00 C ATOM 374 O SER A 26 5.294 -5.785 -14.340 1.00 0.00 O ATOM 375 CB SER A 26 2.454 -3.773 -14.713 1.00 0.00 C ATOM 376 OG SER A 26 1.518 -3.455 -15.734 1.00 0.00 O ATOM 0 H SER A 26 2.089 -6.705 -13.715 1.00 0.00 H new ATOM 0 HA SER A 26 3.348 -5.341 -15.897 1.00 0.00 H new ATOM 0 HB2 SER A 26 1.974 -3.676 -13.739 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.274 -3.055 -14.737 1.00 0.00 H new ATOM 0 HG SER A 26 1.444 -4.208 -16.356 1.00 0.00 H new ATOM 382 N GLY A 27 4.023 -5.042 -12.645 1.00 0.00 N ATOM 383 CA GLY A 27 5.091 -5.186 -11.654 1.00 0.00 C ATOM 384 C GLY A 27 5.477 -3.853 -11.033 1.00 0.00 C ATOM 385 O GLY A 27 5.893 -3.785 -9.879 1.00 0.00 O ATOM 0 H GLY A 27 3.147 -4.674 -12.275 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.768 -5.871 -10.870 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.966 -5.632 -12.127 1.00 0.00 H new ATOM 389 N GLN A 28 5.352 -2.790 -11.821 1.00 0.00 N ATOM 390 CA GLN A 28 5.577 -1.426 -11.336 1.00 0.00 C ATOM 391 C GLN A 28 4.250 -0.708 -11.043 1.00 0.00 C ATOM 392 O GLN A 28 4.236 0.360 -10.433 1.00 0.00 O ATOM 393 CB GLN A 28 6.385 -0.628 -12.365 1.00 0.00 C ATOM 394 CG GLN A 28 7.824 -1.111 -12.526 1.00 0.00 C ATOM 395 CD GLN A 28 8.642 -0.245 -13.474 1.00 0.00 C ATOM 396 OE1 GLN A 28 8.401 0.951 -13.609 1.00 0.00 O ATOM 397 NE2 GLN A 28 9.619 -0.837 -14.132 1.00 0.00 N ATOM 0 H GLN A 28 5.094 -2.845 -12.806 1.00 0.00 H new ATOM 0 HA GLN A 28 6.139 -1.491 -10.404 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.882 -0.684 -13.331 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.394 0.422 -12.071 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.307 -1.126 -11.549 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.818 -2.137 -12.895 1.00 0.00 H new ATOM 0 HE21 GLN A 28 9.794 -1.833 -13.998 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.200 -0.299 -14.775 1.00 0.00 H new ATOM 406 N GLU A 29 3.142 -1.303 -11.492 1.00 0.00 N ATOM 407 CA GLU A 29 1.798 -0.753 -11.260 1.00 0.00 C ATOM 408 C GLU A 29 0.878 -1.808 -10.616 1.00 0.00 C ATOM 409 O GLU A 29 0.916 -2.987 -10.981 1.00 0.00 O ATOM 410 CB GLU A 29 1.189 -0.243 -12.580 1.00 0.00 C ATOM 411 CG GLU A 29 1.960 0.922 -13.201 1.00 0.00 C ATOM 412 CD GLU A 29 1.314 1.464 -14.470 1.00 0.00 C ATOM 413 OE1 GLU A 29 1.566 0.905 -15.559 1.00 0.00 O ATOM 414 OE2 GLU A 29 0.564 2.457 -14.390 1.00 0.00 O ATOM 0 H GLU A 29 3.147 -2.174 -12.023 1.00 0.00 H new ATOM 0 HA GLU A 29 1.889 0.087 -10.571 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.152 -1.065 -13.295 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.160 0.069 -12.399 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.040 1.727 -12.470 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.975 0.597 -13.429 1.00 0.00 H new ATOM 421 N MET A 30 0.054 -1.370 -9.665 1.00 0.00 N ATOM 422 CA MET A 30 -0.791 -2.277 -8.868 1.00 0.00 C ATOM 423 C MET A 30 -2.275 -1.865 -8.916 1.00 0.00 C ATOM 424 O MET A 30 -2.590 -0.681 -9.010 1.00 0.00 O ATOM 425 CB MET A 30 -0.291 -2.274 -7.418 1.00 0.00 C ATOM 426 CG MET A 30 -1.014 -3.243 -6.501 1.00 0.00 C ATOM 427 SD MET A 30 -0.308 -3.270 -4.844 1.00 0.00 S ATOM 428 CE MET A 30 -1.290 -4.564 -4.102 1.00 0.00 C ATOM 0 H MET A 30 -0.051 -0.385 -9.422 1.00 0.00 H new ATOM 0 HA MET A 30 -0.719 -3.279 -9.291 1.00 0.00 H new ATOM 0 HB2 MET A 30 0.772 -2.514 -7.413 1.00 0.00 H new ATOM 0 HB3 MET A 30 -0.393 -1.267 -7.014 1.00 0.00 H new ATOM 0 HG2 MET A 30 -2.067 -2.966 -6.441 1.00 0.00 H new ATOM 0 HG3 MET A 30 -0.972 -4.245 -6.928 1.00 0.00 H new ATOM 0 HE1 MET A 30 -1.274 -4.456 -3.017 1.00 0.00 H new ATOM 0 HE2 MET A 30 -2.317 -4.491 -4.459 1.00 0.00 H new ATOM 0 HE3 MET A 30 -0.878 -5.535 -4.376 1.00 0.00 H new ATOM 438 N ASN A 31 -3.186 -2.845 -8.833 1.00 0.00 N ATOM 439 CA ASN A 31 -4.631 -2.566 -8.916 1.00 0.00 C ATOM 440 C ASN A 31 -5.285 -2.490 -7.521 1.00 0.00 C ATOM 441 O ASN A 31 -4.647 -2.766 -6.509 1.00 0.00 O ATOM 442 CB ASN A 31 -5.340 -3.631 -9.769 1.00 0.00 C ATOM 443 CG ASN A 31 -5.276 -5.017 -9.158 1.00 0.00 C ATOM 444 OD1 ASN A 31 -6.107 -5.386 -8.338 1.00 0.00 O ATOM 445 ND2 ASN A 31 -4.302 -5.807 -9.558 1.00 0.00 N ATOM 0 H ASN A 31 -2.953 -3.830 -8.710 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.743 -1.591 -9.391 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -6.384 -3.346 -9.902 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.887 -3.655 -10.760 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.226 -6.753 -9.183 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -3.623 -5.473 -10.242 1.00 0.00 H new ATOM 452 N GLY A 32 -6.572 -2.137 -7.486 1.00 0.00 N ATOM 453 CA GLY A 32 -7.280 -1.961 -6.216 1.00 0.00 C ATOM 454 C GLY A 32 -7.668 -3.273 -5.529 1.00 0.00 C ATOM 455 O GLY A 32 -7.808 -3.321 -4.306 1.00 0.00 O ATOM 0 H GLY A 32 -7.141 -1.969 -8.315 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.652 -1.381 -5.540 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -8.182 -1.376 -6.394 1.00 0.00 H new ATOM 459 N LYS A 33 -7.835 -4.342 -6.310 1.00 0.00 N ATOM 460 CA LYS A 33 -8.254 -5.642 -5.767 1.00 0.00 C ATOM 461 C LYS A 33 -7.205 -6.218 -4.800 1.00 0.00 C ATOM 462 O LYS A 33 -7.500 -6.479 -3.630 1.00 0.00 O ATOM 463 CB LYS A 33 -8.531 -6.635 -6.908 1.00 0.00 C ATOM 464 CG LYS A 33 -8.855 -8.050 -6.433 1.00 0.00 C ATOM 465 CD LYS A 33 -9.265 -8.963 -7.585 1.00 0.00 C ATOM 466 CE LYS A 33 -8.146 -9.136 -8.602 1.00 0.00 C ATOM 467 NZ LYS A 33 -8.551 -10.036 -9.711 1.00 0.00 N ATOM 0 H LYS A 33 -7.688 -4.336 -7.319 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.173 -5.484 -5.203 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.364 -6.263 -7.505 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -7.660 -6.673 -7.563 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.985 -8.471 -5.930 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.660 -8.010 -5.699 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -9.550 -9.938 -7.191 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.144 -8.550 -8.080 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.867 -8.163 -9.006 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.263 -9.541 -8.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.765 -10.131 -10.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.794 -10.972 -9.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.378 -9.636 -10.198 1.00 0.00 H new ATOM 481 N ASN A 34 -5.979 -6.406 -5.284 1.00 0.00 N ATOM 482 CA ASN A 34 -4.898 -6.926 -4.436 1.00 0.00 C ATOM 483 C ASN A 34 -4.391 -5.860 -3.446 1.00 0.00 C ATOM 484 O ASN A 34 -3.749 -6.183 -2.449 1.00 0.00 O ATOM 485 CB ASN A 34 -3.743 -7.482 -5.287 1.00 0.00 C ATOM 486 CG ASN A 34 -3.365 -6.589 -6.454 1.00 0.00 C ATOM 487 OD1 ASN A 34 -3.579 -5.384 -6.435 1.00 0.00 O ATOM 488 ND2 ASN A 34 -2.783 -7.178 -7.479 1.00 0.00 N ATOM 0 H ASN A 34 -5.707 -6.210 -6.247 1.00 0.00 H new ATOM 0 HA ASN A 34 -5.311 -7.748 -3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -2.869 -7.624 -4.651 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -4.023 -8.464 -5.668 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -2.496 -6.627 -8.288 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.619 -8.185 -7.463 1.00 0.00 H new ATOM 495 N TRP A 35 -4.683 -4.593 -3.733 1.00 0.00 N ATOM 496 CA TRP A 35 -4.412 -3.490 -2.794 1.00 0.00 C ATOM 497 C TRP A 35 -5.279 -3.619 -1.530 1.00 0.00 C ATOM 498 O TRP A 35 -4.786 -3.504 -0.402 1.00 0.00 O ATOM 499 CB TRP A 35 -4.675 -2.148 -3.498 1.00 0.00 C ATOM 500 CG TRP A 35 -4.678 -0.949 -2.591 1.00 0.00 C ATOM 501 CD1 TRP A 35 -5.760 -0.186 -2.250 1.00 0.00 C ATOM 502 CD2 TRP A 35 -3.552 -0.370 -1.923 1.00 0.00 C ATOM 503 NE1 TRP A 35 -5.376 0.828 -1.411 1.00 0.00 N ATOM 504 CE2 TRP A 35 -4.026 0.736 -1.193 1.00 0.00 C ATOM 505 CE3 TRP A 35 -2.190 -0.685 -1.863 1.00 0.00 C ATOM 506 CZ2 TRP A 35 -3.188 1.535 -0.425 1.00 0.00 C ATOM 507 CZ3 TRP A 35 -1.359 0.110 -1.098 1.00 0.00 C ATOM 508 CH2 TRP A 35 -1.860 1.206 -0.385 1.00 0.00 C ATOM 0 H TRP A 35 -5.109 -4.297 -4.611 1.00 0.00 H new ATOM 0 HA TRP A 35 -3.368 -3.536 -2.484 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.916 -2.002 -4.267 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.637 -2.203 -4.007 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.770 -0.357 -2.592 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -5.994 1.535 -1.014 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -1.796 -1.533 -2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -3.571 2.385 0.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -0.304 -0.118 -1.049 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -1.185 1.804 0.209 1.00 0.00 H new ATOM 519 N ALA A 36 -6.576 -3.858 -1.728 1.00 0.00 N ATOM 520 CA ALA A 36 -7.491 -4.125 -0.614 1.00 0.00 C ATOM 521 C ALA A 36 -7.053 -5.376 0.163 1.00 0.00 C ATOM 522 O ALA A 36 -7.159 -5.435 1.387 1.00 0.00 O ATOM 523 CB ALA A 36 -8.920 -4.286 -1.131 1.00 0.00 C ATOM 0 H ALA A 36 -7.018 -3.872 -2.647 1.00 0.00 H new ATOM 0 HA ALA A 36 -7.461 -3.276 0.068 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -9.590 -4.484 -0.294 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.230 -3.371 -1.635 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.961 -5.119 -1.833 1.00 0.00 H new ATOM 529 N LYS A 37 -6.550 -6.371 -0.565 1.00 0.00 N ATOM 530 CA LYS A 37 -6.017 -7.588 0.052 1.00 0.00 C ATOM 531 C LYS A 37 -4.749 -7.279 0.865 1.00 0.00 C ATOM 532 O LYS A 37 -4.599 -7.736 1.996 1.00 0.00 O ATOM 533 CB LYS A 37 -5.695 -8.632 -1.030 1.00 0.00 C ATOM 534 CG LYS A 37 -5.535 -10.054 -0.499 1.00 0.00 C ATOM 535 CD LYS A 37 -6.844 -10.599 0.070 1.00 0.00 C ATOM 536 CE LYS A 37 -6.702 -12.041 0.542 1.00 0.00 C ATOM 537 NZ LYS A 37 -5.724 -12.168 1.653 1.00 0.00 N ATOM 0 H LYS A 37 -6.500 -6.360 -1.584 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.775 -7.987 0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.489 -8.622 -1.776 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.776 -8.340 -1.538 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -5.189 -10.705 -1.302 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -4.768 -10.068 0.276 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.166 -9.974 0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.622 -10.541 -0.691 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.673 -12.413 0.869 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -6.386 -12.667 -0.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -5.644 -13.166 1.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.795 -11.821 1.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.047 -11.605 2.466 1.00 0.00 H new ATOM 551 N LEU A 38 -3.857 -6.478 0.276 1.00 0.00 N ATOM 552 CA LEU A 38 -2.587 -6.097 0.910 1.00 0.00 C ATOM 553 C LEU A 38 -2.836 -5.495 2.302 1.00 0.00 C ATOM 554 O LEU A 38 -2.305 -5.974 3.308 1.00 0.00 O ATOM 555 CB LEU A 38 -1.842 -5.084 0.007 1.00 0.00 C ATOM 556 CG LEU A 38 -0.330 -4.889 0.275 1.00 0.00 C ATOM 557 CD1 LEU A 38 0.305 -4.027 -0.812 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.070 -4.271 1.649 1.00 0.00 C ATOM 0 H LEU A 38 -3.992 -6.075 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.970 -6.987 1.033 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -1.965 -5.398 -1.029 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.332 -4.116 0.107 1.00 0.00 H new ATOM 0 HG LEU A 38 0.128 -5.878 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.368 -3.903 -0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.179 -4.511 -1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.178 -3.050 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.003 -4.151 1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.555 -3.297 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.472 -4.924 2.424 1.00 0.00 H new ATOM 570 N CYS A 39 -3.651 -4.444 2.349 1.00 0.00 N ATOM 571 CA CYS A 39 -3.965 -3.764 3.612 1.00 0.00 C ATOM 572 C CYS A 39 -4.729 -4.683 4.577 1.00 0.00 C ATOM 573 O CYS A 39 -4.564 -4.591 5.797 1.00 0.00 O ATOM 574 CB CYS A 39 -4.776 -2.489 3.346 1.00 0.00 C ATOM 575 SG CYS A 39 -6.304 -2.761 2.419 1.00 0.00 S ATOM 0 H CYS A 39 -4.108 -4.042 1.530 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.020 -3.496 4.084 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.021 -2.023 4.300 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.152 -1.783 2.797 1.00 0.00 H new ATOM 0 HG CYS A 39 -6.478 -4.036 2.233 1.00 0.00 H new ATOM 581 N LYS A 40 -5.552 -5.578 4.032 1.00 0.00 N ATOM 582 CA LYS A 40 -6.341 -6.495 4.860 1.00 0.00 C ATOM 583 C LYS A 40 -5.459 -7.586 5.489 1.00 0.00 C ATOM 584 O LYS A 40 -5.686 -7.996 6.627 1.00 0.00 O ATOM 585 CB LYS A 40 -7.464 -7.134 4.034 1.00 0.00 C ATOM 586 CG LYS A 40 -8.440 -7.954 4.873 1.00 0.00 C ATOM 587 CD LYS A 40 -9.078 -7.109 5.973 1.00 0.00 C ATOM 588 CE LYS A 40 -9.952 -7.942 6.896 1.00 0.00 C ATOM 589 NZ LYS A 40 -10.548 -7.110 7.969 1.00 0.00 N ATOM 0 H LYS A 40 -5.691 -5.689 3.028 1.00 0.00 H new ATOM 0 HA LYS A 40 -6.783 -5.912 5.668 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.014 -6.350 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -7.024 -7.776 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.219 -8.364 4.230 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -7.917 -8.800 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -8.296 -6.622 6.556 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.678 -6.319 5.521 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.745 -8.417 6.319 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -9.358 -8.741 7.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -10.175 -7.414 8.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.305 -6.111 7.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.582 -7.221 7.960 1.00 0.00 H new ATOM 603 N ASP A 41 -4.457 -8.055 4.745 1.00 0.00 N ATOM 604 CA ASP A 41 -3.523 -9.063 5.260 1.00 0.00 C ATOM 605 C ASP A 41 -2.549 -8.457 6.283 1.00 0.00 C ATOM 606 O ASP A 41 -2.233 -9.083 7.295 1.00 0.00 O ATOM 607 CB ASP A 41 -2.755 -9.732 4.113 1.00 0.00 C ATOM 608 CG ASP A 41 -3.663 -10.590 3.244 1.00 0.00 C ATOM 609 OD1 ASP A 41 -4.624 -11.178 3.784 1.00 0.00 O ATOM 610 OD2 ASP A 41 -3.418 -10.695 2.026 1.00 0.00 O ATOM 0 H ASP A 41 -4.270 -7.756 3.788 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.111 -9.825 5.772 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -2.282 -8.966 3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.956 -10.350 4.523 1.00 0.00 H new ATOM 615 N CYS A 42 -2.070 -7.241 6.018 1.00 0.00 N ATOM 616 CA CYS A 42 -1.267 -6.497 7.006 1.00 0.00 C ATOM 617 C CYS A 42 -2.179 -5.852 8.060 1.00 0.00 C ATOM 618 O CYS A 42 -1.715 -5.247 9.025 1.00 0.00 O ATOM 619 CB CYS A 42 -0.404 -5.429 6.321 1.00 0.00 C ATOM 620 SG CYS A 42 -1.347 -4.186 5.409 1.00 0.00 S ATOM 0 H CYS A 42 -2.219 -6.748 5.137 1.00 0.00 H new ATOM 0 HA CYS A 42 -0.602 -7.203 7.503 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.201 -4.928 7.076 1.00 0.00 H new ATOM 0 HB3 CYS A 42 0.286 -5.921 5.635 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.618 -4.634 4.219 1.00 0.00 H new ATOM 626 N LYS A 43 -3.486 -5.992 7.840 1.00 0.00 N ATOM 627 CA LYS A 43 -4.523 -5.585 8.788 1.00 0.00 C ATOM 628 C LYS A 43 -4.455 -4.102 9.167 1.00 0.00 C ATOM 629 O LYS A 43 -4.970 -3.686 10.209 1.00 0.00 O ATOM 630 CB LYS A 43 -4.468 -6.492 10.013 1.00 0.00 C ATOM 631 CG LYS A 43 -4.513 -7.968 9.626 1.00 0.00 C ATOM 632 CD LYS A 43 -4.689 -8.876 10.825 1.00 0.00 C ATOM 633 CE LYS A 43 -6.052 -8.682 11.482 1.00 0.00 C ATOM 634 NZ LYS A 43 -7.165 -8.782 10.494 1.00 0.00 N ATOM 0 H LYS A 43 -3.860 -6.399 6.983 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.489 -5.701 8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.555 -6.291 10.574 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.305 -6.263 10.673 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -5.333 -8.132 8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.592 -8.232 9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.579 -9.915 10.514 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.902 -8.676 11.552 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.190 -9.432 12.261 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.085 -7.707 11.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -8.038 -9.067 10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -7.309 -7.858 10.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -6.925 -9.490 9.771 1.00 0.00 H new ATOM 648 N VAL A 44 -3.851 -3.295 8.299 1.00 0.00 N ATOM 649 CA VAL A 44 -3.937 -1.845 8.424 1.00 0.00 C ATOM 650 C VAL A 44 -5.413 -1.425 8.416 1.00 0.00 C ATOM 651 O VAL A 44 -5.852 -0.609 9.232 1.00 0.00 O ATOM 652 CB VAL A 44 -3.180 -1.134 7.271 1.00 0.00 C ATOM 653 CG1 VAL A 44 -3.357 0.383 7.341 1.00 0.00 C ATOM 654 CG2 VAL A 44 -1.697 -1.509 7.292 1.00 0.00 C ATOM 0 H VAL A 44 -3.299 -3.620 7.505 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.470 -1.549 9.363 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.610 -1.473 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -2.814 0.851 6.520 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -4.416 0.630 7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -2.967 0.751 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.182 -1.001 6.477 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -1.259 -1.206 8.243 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.593 -2.587 7.172 1.00 0.00 H new ATOM 664 N ALA A 45 -6.180 -2.042 7.514 1.00 0.00 N ATOM 665 CA ALA A 45 -7.621 -1.801 7.404 1.00 0.00 C ATOM 666 C ALA A 45 -8.423 -2.707 8.358 1.00 0.00 C ATOM 667 O ALA A 45 -9.182 -3.578 7.926 1.00 0.00 O ATOM 668 CB ALA A 45 -8.075 -2.000 5.964 1.00 0.00 C ATOM 0 H ALA A 45 -5.822 -2.720 6.842 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.814 -0.769 7.698 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.147 -1.819 5.892 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -7.545 -1.302 5.316 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -7.858 -3.022 5.652 1.00 0.00 H new ATOM 674 N ASP A 46 -8.239 -2.486 9.659 1.00 0.00 N ATOM 675 CA ASP A 46 -8.927 -3.258 10.706 1.00 0.00 C ATOM 676 C ASP A 46 -9.023 -2.460 12.017 1.00 0.00 C ATOM 677 O ASP A 46 -9.418 -2.993 13.056 1.00 0.00 O ATOM 678 CB ASP A 46 -8.194 -4.589 10.970 1.00 0.00 C ATOM 679 CG ASP A 46 -8.765 -5.745 10.169 1.00 0.00 C ATOM 680 OD1 ASP A 46 -9.977 -6.021 10.307 1.00 0.00 O ATOM 681 OD2 ASP A 46 -8.015 -6.393 9.408 1.00 0.00 O ATOM 0 H ASP A 46 -7.611 -1.769 10.022 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.936 -3.465 10.348 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.138 -4.471 10.727 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -8.252 -4.826 12.032 1.00 0.00 H new ATOM 686 N GLY A 47 -8.703 -1.171 11.952 1.00 0.00 N ATOM 687 CA GLY A 47 -8.554 -0.368 13.166 1.00 0.00 C ATOM 688 C GLY A 47 -9.822 0.356 13.611 1.00 0.00 C ATOM 689 O GLY A 47 -9.749 1.488 14.087 1.00 0.00 O ATOM 0 H GLY A 47 -8.543 -0.662 11.082 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.219 -1.017 13.976 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -7.769 0.370 13.003 1.00 0.00 H new ATOM 693 N LYS A 48 -10.987 -0.286 13.451 1.00 0.00 N ATOM 694 CA LYS A 48 -12.287 0.317 13.830 1.00 0.00 C ATOM 695 C LYS A 48 -12.509 1.699 13.170 1.00 0.00 C ATOM 696 O LYS A 48 -13.427 2.439 13.534 1.00 0.00 O ATOM 697 CB LYS A 48 -12.391 0.436 15.362 1.00 0.00 C ATOM 698 CG LYS A 48 -12.340 -0.904 16.097 1.00 0.00 C ATOM 699 CD LYS A 48 -13.497 -1.818 15.696 1.00 0.00 C ATOM 700 CE LYS A 48 -13.467 -3.144 16.452 1.00 0.00 C ATOM 701 NZ LYS A 48 -14.572 -4.049 16.031 1.00 0.00 N ATOM 0 H LYS A 48 -11.063 -1.226 13.061 1.00 0.00 H new ATOM 0 HA LYS A 48 -13.070 -0.346 13.462 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.579 1.067 15.723 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.323 0.941 15.614 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.394 -1.400 15.882 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.371 -0.730 17.173 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.443 -1.312 15.889 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.452 -2.011 14.624 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -12.510 -3.637 16.282 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -13.542 -2.953 17.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.516 -4.938 16.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.487 -3.590 16.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.486 -4.252 15.015 1.00 0.00 H new ATOM 715 N SER A 49 -11.680 2.016 12.181 1.00 0.00 N ATOM 716 CA SER A 49 -11.734 3.303 11.476 1.00 0.00 C ATOM 717 C SER A 49 -11.103 3.156 10.094 1.00 0.00 C ATOM 718 O SER A 49 -11.728 3.442 9.072 1.00 0.00 O ATOM 719 CB SER A 49 -10.992 4.394 12.262 1.00 0.00 C ATOM 720 OG SER A 49 -11.000 5.631 11.561 1.00 0.00 O ATOM 0 H SER A 49 -10.949 1.391 11.841 1.00 0.00 H new ATOM 0 HA SER A 49 -12.779 3.597 11.379 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.459 4.524 13.238 1.00 0.00 H new ATOM 0 HB3 SER A 49 -9.963 4.081 12.440 1.00 0.00 H new ATOM 0 HG SER A 49 -10.522 6.307 12.085 1.00 0.00 H new ATOM 726 N VAL A 50 -9.845 2.718 10.079 1.00 0.00 N ATOM 727 CA VAL A 50 -9.174 2.338 8.835 1.00 0.00 C ATOM 728 C VAL A 50 -9.773 1.032 8.307 1.00 0.00 C ATOM 729 O VAL A 50 -9.603 -0.026 8.915 1.00 0.00 O ATOM 730 CB VAL A 50 -7.652 2.139 9.035 1.00 0.00 C ATOM 731 CG1 VAL A 50 -6.933 2.057 7.687 1.00 0.00 C ATOM 732 CG2 VAL A 50 -7.066 3.243 9.904 1.00 0.00 C ATOM 0 H VAL A 50 -9.269 2.617 10.915 1.00 0.00 H new ATOM 0 HA VAL A 50 -9.324 3.149 8.123 1.00 0.00 H new ATOM 0 HB VAL A 50 -7.500 1.193 9.555 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.865 1.917 7.852 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.325 1.215 7.116 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -7.096 2.980 7.131 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.996 3.079 10.028 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.232 4.209 9.426 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -7.550 3.233 10.880 1.00 0.00 H new ATOM 742 N THR A 51 -10.499 1.120 7.200 1.00 0.00 N ATOM 743 CA THR A 51 -11.173 -0.044 6.611 1.00 0.00 C ATOM 744 C THR A 51 -10.978 -0.081 5.093 1.00 0.00 C ATOM 745 O THR A 51 -10.388 0.833 4.516 1.00 0.00 O ATOM 746 CB THR A 51 -12.689 -0.030 6.918 1.00 0.00 C ATOM 747 OG1 THR A 51 -13.306 1.106 6.290 1.00 0.00 O ATOM 748 CG2 THR A 51 -12.944 0.011 8.424 1.00 0.00 C ATOM 0 H THR A 51 -10.640 1.989 6.684 1.00 0.00 H new ATOM 0 HA THR A 51 -10.724 -0.931 7.058 1.00 0.00 H new ATOM 0 HB THR A 51 -13.124 -0.947 6.521 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.266 1.107 6.487 1.00 0.00 H new ATOM 0 HG21 THR A 51 -14.018 0.020 8.611 1.00 0.00 H new ATOM 0 HG22 THR A 51 -12.502 -0.868 8.892 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.495 0.911 8.845 1.00 0.00 H new ATOM 756 N GLY A 52 -11.477 -1.138 4.450 1.00 0.00 N ATOM 757 CA GLY A 52 -11.344 -1.279 3.000 1.00 0.00 C ATOM 758 C GLY A 52 -11.732 -0.017 2.227 1.00 0.00 C ATOM 759 O GLY A 52 -11.043 0.384 1.288 1.00 0.00 O ATOM 0 H GLY A 52 -11.973 -1.903 4.907 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -10.313 -1.539 2.761 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.968 -2.107 2.665 1.00 0.00 H new ATOM 763 N THR A 53 -12.829 0.621 2.634 1.00 0.00 N ATOM 764 CA THR A 53 -13.273 1.874 2.009 1.00 0.00 C ATOM 765 C THR A 53 -12.252 3.001 2.234 1.00 0.00 C ATOM 766 O THR A 53 -11.820 3.651 1.283 1.00 0.00 O ATOM 767 CB THR A 53 -14.659 2.322 2.543 1.00 0.00 C ATOM 768 OG1 THR A 53 -15.653 1.323 2.240 1.00 0.00 O ATOM 769 CG2 THR A 53 -15.085 3.659 1.939 1.00 0.00 C ATOM 0 H THR A 53 -13.428 0.294 3.392 1.00 0.00 H new ATOM 0 HA THR A 53 -13.358 1.677 0.940 1.00 0.00 H new ATOM 0 HB THR A 53 -14.574 2.443 3.623 1.00 0.00 H new ATOM 0 HG1 THR A 53 -16.524 1.614 2.582 1.00 0.00 H new ATOM 0 HG21 THR A 53 -16.060 3.943 2.335 1.00 0.00 H new ATOM 0 HG22 THR A 53 -14.352 4.424 2.196 1.00 0.00 H new ATOM 0 HG23 THR A 53 -15.147 3.565 0.855 1.00 0.00 H new ATOM 777 N ASP A 54 -11.851 3.210 3.492 1.00 0.00 N ATOM 778 CA ASP A 54 -10.870 4.254 3.842 1.00 0.00 C ATOM 779 C ASP A 54 -9.551 4.063 3.064 1.00 0.00 C ATOM 780 O ASP A 54 -8.940 5.026 2.599 1.00 0.00 O ATOM 781 CB ASP A 54 -10.614 4.231 5.361 1.00 0.00 C ATOM 782 CG ASP A 54 -9.737 5.378 5.844 1.00 0.00 C ATOM 783 OD1 ASP A 54 -10.169 6.550 5.738 1.00 0.00 O ATOM 784 OD2 ASP A 54 -8.626 5.120 6.346 1.00 0.00 O ATOM 0 H ASP A 54 -12.189 2.671 4.290 1.00 0.00 H new ATOM 0 HA ASP A 54 -11.278 5.225 3.562 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -11.570 4.269 5.884 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.142 3.285 5.628 1.00 0.00 H new ATOM 789 N VAL A 55 -9.137 2.810 2.909 1.00 0.00 N ATOM 790 CA VAL A 55 -7.920 2.476 2.160 1.00 0.00 C ATOM 791 C VAL A 55 -8.117 2.660 0.641 1.00 0.00 C ATOM 792 O VAL A 55 -7.152 2.886 -0.099 1.00 0.00 O ATOM 793 CB VAL A 55 -7.471 1.021 2.458 1.00 0.00 C ATOM 794 CG1 VAL A 55 -6.207 0.658 1.683 1.00 0.00 C ATOM 795 CG2 VAL A 55 -7.253 0.829 3.955 1.00 0.00 C ATOM 0 H VAL A 55 -9.626 2.001 3.293 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.142 3.165 2.489 1.00 0.00 H new ATOM 0 HB VAL A 55 -8.266 0.352 2.129 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.920 -0.368 1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -6.397 0.749 0.614 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.400 1.333 1.966 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -6.938 -0.197 4.148 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.482 1.517 4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.183 1.029 4.487 1.00 0.00 H new ATOM 805 N ASP A 56 -9.368 2.593 0.181 1.00 0.00 N ATOM 806 CA ASP A 56 -9.670 2.793 -1.240 1.00 0.00 C ATOM 807 C ASP A 56 -9.670 4.289 -1.558 1.00 0.00 C ATOM 808 O ASP A 56 -9.307 4.716 -2.656 1.00 0.00 O ATOM 809 CB ASP A 56 -11.021 2.166 -1.596 1.00 0.00 C ATOM 810 CG ASP A 56 -11.401 2.385 -3.053 1.00 0.00 C ATOM 811 OD1 ASP A 56 -10.830 1.711 -3.935 1.00 0.00 O ATOM 812 OD2 ASP A 56 -12.286 3.225 -3.324 1.00 0.00 O ATOM 0 H ASP A 56 -10.183 2.404 0.765 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.903 2.303 -1.840 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -10.987 1.096 -1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -11.794 2.589 -0.955 1.00 0.00 H new ATOM 817 N ILE A 57 -10.078 5.081 -0.573 1.00 0.00 N ATOM 818 CA ILE A 57 -9.978 6.535 -0.648 1.00 0.00 C ATOM 819 C ILE A 57 -8.523 6.956 -0.855 1.00 0.00 C ATOM 820 O ILE A 57 -8.217 7.768 -1.724 1.00 0.00 O ATOM 821 CB ILE A 57 -10.508 7.183 0.647 1.00 0.00 C ATOM 822 CG1 ILE A 57 -11.926 6.677 0.935 1.00 0.00 C ATOM 823 CG2 ILE A 57 -10.473 8.709 0.546 1.00 0.00 C ATOM 824 CD1 ILE A 57 -12.984 7.235 0.010 1.00 0.00 C ATOM 0 H ILE A 57 -10.486 4.736 0.296 1.00 0.00 H new ATOM 0 HA ILE A 57 -10.580 6.871 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 57 -9.862 6.897 1.477 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.933 5.589 0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -12.188 6.930 1.962 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.852 9.144 1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -9.447 9.039 0.383 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -11.095 9.033 -0.288 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -13.957 6.827 0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -13.009 8.321 0.099 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -12.750 6.960 -1.018 1.00 0.00 H new ATOM 836 N VAL A 58 -7.629 6.385 -0.049 1.00 0.00 N ATOM 837 CA VAL A 58 -6.192 6.626 -0.189 1.00 0.00 C ATOM 838 C VAL A 58 -5.694 6.177 -1.573 1.00 0.00 C ATOM 839 O VAL A 58 -4.915 6.875 -2.224 1.00 0.00 O ATOM 840 CB VAL A 58 -5.391 5.897 0.915 1.00 0.00 C ATOM 841 CG1 VAL A 58 -3.902 6.198 0.785 1.00 0.00 C ATOM 842 CG2 VAL A 58 -5.906 6.291 2.299 1.00 0.00 C ATOM 0 H VAL A 58 -7.875 5.750 0.710 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.030 7.699 -0.084 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.532 4.823 0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.355 5.676 1.570 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.547 5.862 -0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.738 7.271 0.881 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.331 5.769 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.797 7.367 2.435 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.958 6.019 2.387 1.00 0.00 H new ATOM 852 N PHE A 59 -6.163 5.010 -2.019 1.00 0.00 N ATOM 853 CA PHE A 59 -5.875 4.520 -3.374 1.00 0.00 C ATOM 854 C PHE A 59 -6.343 5.539 -4.431 1.00 0.00 C ATOM 855 O PHE A 59 -5.666 5.773 -5.431 1.00 0.00 O ATOM 856 CB PHE A 59 -6.565 3.165 -3.602 1.00 0.00 C ATOM 857 CG PHE A 59 -6.302 2.556 -4.961 1.00 0.00 C ATOM 858 CD1 PHE A 59 -5.133 1.848 -5.206 1.00 0.00 C ATOM 859 CD2 PHE A 59 -7.224 2.690 -5.992 1.00 0.00 C ATOM 860 CE1 PHE A 59 -4.891 1.289 -6.446 1.00 0.00 C ATOM 861 CE2 PHE A 59 -6.984 2.132 -7.234 1.00 0.00 C ATOM 862 CZ PHE A 59 -5.816 1.431 -7.460 1.00 0.00 C ATOM 0 H PHE A 59 -6.745 4.384 -1.463 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.797 4.391 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -6.233 2.467 -2.833 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -7.640 3.292 -3.475 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -4.404 1.733 -4.418 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -8.139 3.237 -5.821 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -3.977 0.741 -6.622 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -7.709 2.244 -8.026 1.00 0.00 H new ATOM 0 HZ PHE A 59 -5.627 0.994 -8.429 1.00 0.00 H new ATOM 872 N SER A 60 -7.506 6.140 -4.189 1.00 0.00 N ATOM 873 CA SER A 60 -8.052 7.181 -5.074 1.00 0.00 C ATOM 874 C SER A 60 -7.217 8.467 -4.989 1.00 0.00 C ATOM 875 O SER A 60 -7.017 9.161 -5.986 1.00 0.00 O ATOM 876 CB SER A 60 -9.516 7.476 -4.705 1.00 0.00 C ATOM 877 OG SER A 60 -10.101 8.419 -5.590 1.00 0.00 O ATOM 0 H SER A 60 -8.095 5.926 -3.384 1.00 0.00 H new ATOM 0 HA SER A 60 -8.010 6.813 -6.099 1.00 0.00 H new ATOM 0 HB2 SER A 60 -10.091 6.550 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 60 -9.565 7.856 -3.685 1.00 0.00 H new ATOM 0 HG SER A 60 -11.031 8.581 -5.327 1.00 0.00 H new ATOM 883 N LYS A 61 -6.718 8.763 -3.788 1.00 0.00 N ATOM 884 CA LYS A 61 -5.850 9.927 -3.554 1.00 0.00 C ATOM 885 C LYS A 61 -4.553 9.838 -4.375 1.00 0.00 C ATOM 886 O LYS A 61 -3.976 10.854 -4.772 1.00 0.00 O ATOM 887 CB LYS A 61 -5.501 10.023 -2.060 1.00 0.00 C ATOM 888 CG LYS A 61 -6.675 10.408 -1.167 1.00 0.00 C ATOM 889 CD LYS A 61 -7.084 11.861 -1.370 1.00 0.00 C ATOM 890 CE LYS A 61 -6.000 12.825 -0.888 1.00 0.00 C ATOM 891 NZ LYS A 61 -5.666 12.618 0.549 1.00 0.00 N ATOM 0 H LYS A 61 -6.900 8.208 -2.952 1.00 0.00 H new ATOM 0 HA LYS A 61 -6.394 10.817 -3.870 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.106 9.063 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.705 10.756 -1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -7.523 9.758 -1.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -6.406 10.248 -0.123 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -7.285 12.038 -2.426 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -8.011 12.057 -0.831 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.102 12.692 -1.491 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.335 13.851 -1.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -4.808 13.155 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.456 12.948 1.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.501 11.606 0.725 1.00 0.00 H new ATOM 905 N VAL A 62 -4.097 8.613 -4.602 1.00 0.00 N ATOM 906 CA VAL A 62 -2.849 8.359 -5.333 1.00 0.00 C ATOM 907 C VAL A 62 -3.104 7.669 -6.682 1.00 0.00 C ATOM 908 O VAL A 62 -2.203 7.059 -7.252 1.00 0.00 O ATOM 909 CB VAL A 62 -1.890 7.485 -4.484 1.00 0.00 C ATOM 910 CG1 VAL A 62 -1.619 8.147 -3.135 1.00 0.00 C ATOM 911 CG2 VAL A 62 -2.454 6.074 -4.296 1.00 0.00 C ATOM 0 H VAL A 62 -4.574 7.768 -4.289 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.390 9.329 -5.526 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.945 7.397 -5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.944 7.521 -2.551 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.161 9.123 -3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.558 8.270 -2.595 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.762 5.482 -3.697 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.416 6.132 -3.787 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.586 5.602 -5.270 1.00 0.00 H new ATOM 921 N LYS A 63 -4.326 7.781 -7.195 1.00 0.00 N ATOM 922 CA LYS A 63 -4.694 7.142 -8.462 1.00 0.00 C ATOM 923 C LYS A 63 -4.084 7.867 -9.670 1.00 0.00 C ATOM 924 O LYS A 63 -4.302 9.067 -9.866 1.00 0.00 O ATOM 925 CB LYS A 63 -6.222 7.083 -8.603 1.00 0.00 C ATOM 926 CG LYS A 63 -6.696 6.430 -9.901 1.00 0.00 C ATOM 927 CD LYS A 63 -8.217 6.295 -9.947 1.00 0.00 C ATOM 928 CE LYS A 63 -8.735 5.351 -8.866 1.00 0.00 C ATOM 929 NZ LYS A 63 -10.217 5.244 -8.885 1.00 0.00 N ATOM 0 H LYS A 63 -5.081 8.308 -6.755 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.290 6.130 -8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -6.635 6.532 -7.758 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -6.622 8.096 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.358 7.023 -10.751 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -6.241 5.445 -9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -8.673 7.277 -9.821 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -8.520 5.926 -10.927 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.298 4.363 -9.008 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.409 5.706 -7.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.528 4.593 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.635 6.183 -8.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.527 4.881 -9.809 1.00 0.00 H new ATOM 943 N GLY A 64 -3.321 7.125 -10.475 1.00 0.00 N ATOM 944 CA GLY A 64 -2.738 7.672 -11.696 1.00 0.00 C ATOM 945 C GLY A 64 -3.783 8.229 -12.663 1.00 0.00 C ATOM 946 O GLY A 64 -4.257 7.519 -13.557 1.00 0.00 O ATOM 0 H GLY A 64 -3.094 6.146 -10.302 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.036 8.464 -11.433 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.165 6.893 -12.199 1.00 0.00 H new ATOM 950 N LYS A 65 -4.146 9.498 -12.466 1.00 0.00 N ATOM 951 CA LYS A 65 -5.141 10.193 -13.301 1.00 0.00 C ATOM 952 C LYS A 65 -6.539 9.562 -13.155 1.00 0.00 C ATOM 953 O LYS A 65 -7.399 10.088 -12.449 1.00 0.00 O ATOM 954 CB LYS A 65 -4.718 10.207 -14.783 1.00 0.00 C ATOM 955 CG LYS A 65 -3.320 10.769 -15.025 1.00 0.00 C ATOM 956 CD LYS A 65 -2.962 10.772 -16.510 1.00 0.00 C ATOM 957 CE LYS A 65 -1.503 11.150 -16.748 1.00 0.00 C ATOM 958 NZ LYS A 65 -1.148 12.453 -16.123 1.00 0.00 N ATOM 0 H LYS A 65 -3.760 10.079 -11.722 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.191 11.223 -12.947 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -4.762 9.190 -15.172 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.438 10.796 -15.350 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.264 11.785 -14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -2.589 10.176 -14.476 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -3.153 9.785 -16.931 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.608 11.474 -17.037 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -0.857 10.369 -16.346 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -1.313 11.200 -17.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -0.186 12.725 -16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -1.821 13.182 -16.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.189 12.364 -15.088 1.00 0.00 H new ATOM 972 N SER A 66 -6.755 8.433 -13.826 1.00 0.00 N ATOM 973 CA SER A 66 -8.049 7.732 -13.789 1.00 0.00 C ATOM 974 C SER A 66 -7.866 6.210 -13.882 1.00 0.00 C ATOM 975 O SER A 66 -8.844 5.460 -13.921 1.00 0.00 O ATOM 976 CB SER A 66 -8.937 8.201 -14.952 1.00 0.00 C ATOM 977 OG SER A 66 -8.323 7.925 -16.205 1.00 0.00 O ATOM 0 H SER A 66 -6.051 7.977 -14.406 1.00 0.00 H new ATOM 0 HA SER A 66 -8.524 7.969 -12.837 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.905 7.702 -14.899 1.00 0.00 H new ATOM 0 HB3 SER A 66 -9.125 9.271 -14.863 1.00 0.00 H new ATOM 0 HG SER A 66 -8.907 8.231 -16.930 1.00 0.00 H new ATOM 983 N ALA A 67 -6.613 5.760 -13.897 1.00 0.00 N ATOM 984 CA ALA A 67 -6.294 4.346 -14.124 1.00 0.00 C ATOM 985 C ALA A 67 -6.707 3.449 -12.947 1.00 0.00 C ATOM 986 O ALA A 67 -6.728 3.880 -11.796 1.00 0.00 O ATOM 987 CB ALA A 67 -4.801 4.191 -14.386 1.00 0.00 C ATOM 0 H ALA A 67 -5.797 6.355 -13.754 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.867 4.023 -14.993 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.568 3.139 -14.554 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -4.524 4.769 -15.268 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.241 4.553 -13.524 1.00 0.00 H new ATOM 993 N ARG A 68 -7.021 2.190 -13.248 1.00 0.00 N ATOM 994 CA ARG A 68 -7.317 1.196 -12.206 1.00 0.00 C ATOM 995 C ARG A 68 -6.036 0.765 -11.468 1.00 0.00 C ATOM 996 O ARG A 68 -6.096 0.028 -10.481 1.00 0.00 O ATOM 997 CB ARG A 68 -7.998 -0.042 -12.815 1.00 0.00 C ATOM 998 CG ARG A 68 -7.126 -0.798 -13.817 1.00 0.00 C ATOM 999 CD ARG A 68 -7.780 -2.094 -14.290 1.00 0.00 C ATOM 1000 NE ARG A 68 -8.050 -3.018 -13.185 1.00 0.00 N ATOM 1001 CZ ARG A 68 -7.484 -4.191 -13.047 1.00 0.00 C ATOM 1002 NH1 ARG A 68 -6.596 -4.606 -13.894 1.00 0.00 N ATOM 1003 NH2 ARG A 68 -7.809 -4.949 -12.052 1.00 0.00 N ATOM 0 H ARG A 68 -7.078 1.830 -14.201 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.993 1.664 -11.490 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -8.282 -0.721 -12.011 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -8.918 0.268 -13.310 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -6.927 -0.159 -14.677 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -6.163 -1.025 -13.359 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -8.714 -1.861 -14.802 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -7.131 -2.581 -15.017 1.00 0.00 H new ATOM 0 HE ARG A 68 -8.724 -2.728 -12.476 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.328 -4.017 -14.682 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.164 -5.522 -13.773 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.505 -4.633 -11.376 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.370 -5.863 -11.942 1.00 0.00 H new ATOM 1017 N VAL A 69 -4.880 1.223 -11.960 1.00 0.00 N ATOM 1018 CA VAL A 69 -3.579 0.861 -11.384 1.00 0.00 C ATOM 1019 C VAL A 69 -2.739 2.100 -11.017 1.00 0.00 C ATOM 1020 O VAL A 69 -2.753 3.113 -11.724 1.00 0.00 O ATOM 1021 CB VAL A 69 -2.757 -0.032 -12.356 1.00 0.00 C ATOM 1022 CG1 VAL A 69 -3.443 -1.382 -12.568 1.00 0.00 C ATOM 1023 CG2 VAL A 69 -2.533 0.678 -13.694 1.00 0.00 C ATOM 0 H VAL A 69 -4.819 1.850 -12.762 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.798 0.304 -10.473 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.783 -0.214 -11.902 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -2.849 -1.989 -13.252 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.535 -1.897 -11.612 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.435 -1.224 -12.992 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.956 0.033 -14.356 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.496 0.901 -14.153 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.988 1.607 -13.526 1.00 0.00 H new ATOM 1033 N ILE A 70 -2.014 2.000 -9.905 1.00 0.00 N ATOM 1034 CA ILE A 70 -1.094 3.056 -9.456 1.00 0.00 C ATOM 1035 C ILE A 70 0.365 2.569 -9.526 1.00 0.00 C ATOM 1036 O ILE A 70 0.625 1.373 -9.386 1.00 0.00 O ATOM 1037 CB ILE A 70 -1.407 3.497 -8.002 1.00 0.00 C ATOM 1038 CG1 ILE A 70 -1.194 2.328 -7.016 1.00 0.00 C ATOM 1039 CG2 ILE A 70 -2.834 4.032 -7.903 1.00 0.00 C ATOM 1040 CD1 ILE A 70 -1.429 2.695 -5.563 1.00 0.00 C ATOM 0 H ILE A 70 -2.044 1.189 -9.287 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.231 3.908 -10.122 1.00 0.00 H new ATOM 0 HB ILE A 70 -0.718 4.297 -7.731 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -1.864 1.512 -7.287 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.176 1.955 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.038 4.337 -6.877 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.948 4.890 -8.566 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.536 3.252 -8.196 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.259 1.821 -4.935 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.741 3.489 -5.273 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.455 3.039 -5.436 1.00 0.00 H new ATOM 1052 N ASN A 71 1.318 3.483 -9.727 1.00 0.00 N ATOM 1053 CA ASN A 71 2.733 3.089 -9.840 1.00 0.00 C ATOM 1054 C ASN A 71 3.419 3.011 -8.462 1.00 0.00 C ATOM 1055 O ASN A 71 2.865 3.445 -7.450 1.00 0.00 O ATOM 1056 CB ASN A 71 3.508 4.038 -10.768 1.00 0.00 C ATOM 1057 CG ASN A 71 3.732 5.412 -10.170 1.00 0.00 C ATOM 1058 OD1 ASN A 71 4.699 5.637 -9.449 1.00 0.00 O ATOM 1059 ND2 ASN A 71 2.851 6.340 -10.463 1.00 0.00 N ATOM 0 H ASN A 71 1.145 4.484 -9.814 1.00 0.00 H new ATOM 0 HA ASN A 71 2.746 2.091 -10.279 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.473 3.592 -11.008 1.00 0.00 H new ATOM 0 HB3 ASN A 71 2.963 4.142 -11.706 1.00 0.00 H new ATOM 0 HD21 ASN A 71 2.959 7.282 -10.088 1.00 0.00 H new ATOM 0 HD22 ASN A 71 2.058 6.119 -11.066 1.00 0.00 H new ATOM 1066 N TYR A 72 4.637 2.461 -8.441 1.00 0.00 N ATOM 1067 CA TYR A 72 5.385 2.234 -7.192 1.00 0.00 C ATOM 1068 C TYR A 72 5.497 3.494 -6.306 1.00 0.00 C ATOM 1069 O TYR A 72 5.422 3.400 -5.080 1.00 0.00 O ATOM 1070 CB TYR A 72 6.786 1.683 -7.500 1.00 0.00 C ATOM 1071 CG TYR A 72 7.620 1.405 -6.256 1.00 0.00 C ATOM 1072 CD1 TYR A 72 7.354 0.303 -5.450 1.00 0.00 C ATOM 1073 CD2 TYR A 72 8.662 2.251 -5.883 1.00 0.00 C ATOM 1074 CE1 TYR A 72 8.095 0.053 -4.311 1.00 0.00 C ATOM 1075 CE2 TYR A 72 9.412 2.003 -4.746 1.00 0.00 C ATOM 1076 CZ TYR A 72 9.124 0.903 -3.962 1.00 0.00 C ATOM 1077 OH TYR A 72 9.860 0.656 -2.823 1.00 0.00 O ATOM 0 H TYR A 72 5.133 2.161 -9.280 1.00 0.00 H new ATOM 0 HA TYR A 72 4.813 1.501 -6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 72 6.687 0.762 -8.074 1.00 0.00 H new ATOM 0 HB3 TYR A 72 7.317 2.396 -8.131 1.00 0.00 H new ATOM 0 HD1 TYR A 72 6.553 -0.370 -5.720 1.00 0.00 H new ATOM 0 HD2 TYR A 72 8.889 3.115 -6.491 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.869 -0.805 -3.696 1.00 0.00 H new ATOM 0 HE2 TYR A 72 10.219 2.667 -4.473 1.00 0.00 H new ATOM 0 HH TYR A 72 10.547 1.347 -2.721 1.00 0.00 H new ATOM 1087 N GLU A 73 5.682 4.673 -6.904 1.00 0.00 N ATOM 1088 CA GLU A 73 5.800 5.896 -6.101 1.00 0.00 C ATOM 1089 C GLU A 73 4.451 6.262 -5.465 1.00 0.00 C ATOM 1090 O GLU A 73 4.389 6.644 -4.294 1.00 0.00 O ATOM 1091 CB GLU A 73 6.328 7.080 -6.923 1.00 0.00 C ATOM 1092 CG GLU A 73 6.656 8.294 -6.056 1.00 0.00 C ATOM 1093 CD GLU A 73 7.151 9.499 -6.840 1.00 0.00 C ATOM 1094 OE1 GLU A 73 8.309 9.482 -7.299 1.00 0.00 O ATOM 1095 OE2 GLU A 73 6.391 10.486 -6.968 1.00 0.00 O ATOM 0 H GLU A 73 5.752 4.808 -7.913 1.00 0.00 H new ATOM 0 HA GLU A 73 6.524 5.688 -5.314 1.00 0.00 H new ATOM 0 HB2 GLU A 73 7.222 6.772 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 73 5.584 7.361 -7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.765 8.579 -5.496 1.00 0.00 H new ATOM 0 HG3 GLU A 73 7.415 8.012 -5.326 1.00 0.00 H new ATOM 1102 N GLU A 74 3.370 6.121 -6.233 1.00 0.00 N ATOM 1103 CA GLU A 74 2.017 6.391 -5.726 1.00 0.00 C ATOM 1104 C GLU A 74 1.654 5.394 -4.617 1.00 0.00 C ATOM 1105 O GLU A 74 0.952 5.728 -3.663 1.00 0.00 O ATOM 1106 CB GLU A 74 0.998 6.338 -6.875 1.00 0.00 C ATOM 1107 CG GLU A 74 1.286 7.356 -7.975 1.00 0.00 C ATOM 1108 CD GLU A 74 0.303 7.287 -9.137 1.00 0.00 C ATOM 1109 OE1 GLU A 74 0.223 6.223 -9.791 1.00 0.00 O ATOM 1110 OE2 GLU A 74 -0.355 8.310 -9.423 1.00 0.00 O ATOM 0 H GLU A 74 3.401 5.822 -7.208 1.00 0.00 H new ATOM 0 HA GLU A 74 1.993 7.393 -5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.996 5.337 -7.306 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.001 6.515 -6.476 1.00 0.00 H new ATOM 0 HG2 GLU A 74 1.262 8.358 -7.547 1.00 0.00 H new ATOM 0 HG3 GLU A 74 2.296 7.195 -8.353 1.00 0.00 H new ATOM 1117 N PHE A 75 2.164 4.173 -4.752 1.00 0.00 N ATOM 1118 CA PHE A 75 2.067 3.157 -3.702 1.00 0.00 C ATOM 1119 C PHE A 75 2.659 3.675 -2.376 1.00 0.00 C ATOM 1120 O PHE A 75 2.052 3.535 -1.313 1.00 0.00 O ATOM 1121 CB PHE A 75 2.795 1.884 -4.160 1.00 0.00 C ATOM 1122 CG PHE A 75 2.913 0.811 -3.106 1.00 0.00 C ATOM 1123 CD1 PHE A 75 1.797 0.109 -2.673 1.00 0.00 C ATOM 1124 CD2 PHE A 75 4.149 0.498 -2.554 1.00 0.00 C ATOM 1125 CE1 PHE A 75 1.913 -0.878 -1.713 1.00 0.00 C ATOM 1126 CE2 PHE A 75 4.268 -0.488 -1.596 1.00 0.00 C ATOM 1127 CZ PHE A 75 3.148 -1.179 -1.176 1.00 0.00 C ATOM 0 H PHE A 75 2.655 3.858 -5.589 1.00 0.00 H new ATOM 0 HA PHE A 75 1.016 2.928 -3.526 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.270 1.472 -5.022 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.796 2.155 -4.496 1.00 0.00 H new ATOM 0 HD1 PHE A 75 0.827 0.337 -3.091 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.029 1.034 -2.879 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.036 -1.415 -1.382 1.00 0.00 H new ATOM 0 HE2 PHE A 75 5.235 -0.719 -1.175 1.00 0.00 H new ATOM 0 HZ PHE A 75 3.239 -1.953 -0.429 1.00 0.00 H new ATOM 1137 N LYS A 76 3.842 4.286 -2.451 1.00 0.00 N ATOM 1138 CA LYS A 76 4.477 4.892 -1.273 1.00 0.00 C ATOM 1139 C LYS A 76 3.647 6.065 -0.728 1.00 0.00 C ATOM 1140 O LYS A 76 3.532 6.249 0.486 1.00 0.00 O ATOM 1141 CB LYS A 76 5.891 5.382 -1.609 1.00 0.00 C ATOM 1142 CG LYS A 76 6.874 4.273 -1.969 1.00 0.00 C ATOM 1143 CD LYS A 76 8.286 4.832 -2.146 1.00 0.00 C ATOM 1144 CE LYS A 76 8.375 5.805 -3.321 1.00 0.00 C ATOM 1145 NZ LYS A 76 9.350 6.900 -3.067 1.00 0.00 N ATOM 0 H LYS A 76 4.381 4.376 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 76 4.535 4.120 -0.506 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.831 6.082 -2.442 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.283 5.935 -0.755 1.00 0.00 H new ATOM 0 HG2 LYS A 76 6.874 3.514 -1.187 1.00 0.00 H new ATOM 0 HG3 LYS A 76 6.555 3.783 -2.889 1.00 0.00 H new ATOM 0 HD2 LYS A 76 8.592 5.340 -1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.984 4.010 -2.303 1.00 0.00 H new ATOM 0 HE2 LYS A 76 8.666 5.262 -4.220 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.391 6.233 -3.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 9.379 7.537 -3.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 9.059 7.435 -2.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.295 6.494 -2.910 1.00 0.00 H new ATOM 1159 N LYS A 77 3.080 6.864 -1.632 1.00 0.00 N ATOM 1160 CA LYS A 77 2.196 7.972 -1.239 1.00 0.00 C ATOM 1161 C LYS A 77 0.979 7.437 -0.464 1.00 0.00 C ATOM 1162 O LYS A 77 0.535 8.031 0.522 1.00 0.00 O ATOM 1163 CB LYS A 77 1.721 8.749 -2.478 1.00 0.00 C ATOM 1164 CG LYS A 77 2.844 9.249 -3.385 1.00 0.00 C ATOM 1165 CD LYS A 77 2.294 9.919 -4.645 1.00 0.00 C ATOM 1166 CE LYS A 77 3.390 10.218 -5.666 1.00 0.00 C ATOM 1167 NZ LYS A 77 4.338 11.269 -5.202 1.00 0.00 N ATOM 0 H LYS A 77 3.214 6.769 -2.639 1.00 0.00 H new ATOM 0 HA LYS A 77 2.760 8.646 -0.595 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.059 8.108 -3.061 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.129 9.604 -2.150 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.466 9.957 -2.838 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.484 8.413 -3.667 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.543 9.273 -5.100 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.792 10.847 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.944 9.303 -5.877 1.00 0.00 H new ATOM 0 HE3 LYS A 77 2.931 10.536 -6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.204 11.234 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.894 12.205 -5.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 4.579 11.103 -4.204 1.00 0.00 H new ATOM 1181 N ALA A 78 0.454 6.303 -0.921 1.00 0.00 N ATOM 1182 CA ALA A 78 -0.652 5.628 -0.244 1.00 0.00 C ATOM 1183 C ALA A 78 -0.239 5.159 1.159 1.00 0.00 C ATOM 1184 O ALA A 78 -0.961 5.372 2.134 1.00 0.00 O ATOM 1185 CB ALA A 78 -1.136 4.453 -1.084 1.00 0.00 C ATOM 0 H ALA A 78 0.779 5.829 -1.764 1.00 0.00 H new ATOM 0 HA ALA A 78 -1.470 6.339 -0.127 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.960 3.955 -0.573 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -1.476 4.815 -2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.318 3.747 -1.227 1.00 0.00 H new ATOM 1191 N LEU A 79 0.931 4.522 1.255 1.00 0.00 N ATOM 1192 CA LEU A 79 1.483 4.100 2.551 1.00 0.00 C ATOM 1193 C LEU A 79 1.672 5.298 3.491 1.00 0.00 C ATOM 1194 O LEU A 79 1.513 5.179 4.703 1.00 0.00 O ATOM 1195 CB LEU A 79 2.824 3.375 2.361 1.00 0.00 C ATOM 1196 CG LEU A 79 2.763 2.092 1.517 1.00 0.00 C ATOM 1197 CD1 LEU A 79 4.146 1.462 1.414 1.00 0.00 C ATOM 1198 CD2 LEU A 79 1.753 1.099 2.095 1.00 0.00 C ATOM 0 H LEU A 79 1.516 4.286 0.453 1.00 0.00 H new ATOM 0 HA LEU A 79 0.768 3.413 3.003 1.00 0.00 H new ATOM 0 HB2 LEU A 79 3.528 4.064 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.226 3.125 3.343 1.00 0.00 H new ATOM 0 HG LEU A 79 2.428 2.358 0.515 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.088 0.554 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.832 2.166 0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 79 4.508 1.215 2.412 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.731 0.201 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 79 2.044 0.834 3.111 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.763 1.554 2.109 1.00 0.00 H new ATOM 1210 N GLU A 80 2.016 6.450 2.914 1.00 0.00 N ATOM 1211 CA GLU A 80 2.149 7.703 3.672 1.00 0.00 C ATOM 1212 C GLU A 80 0.854 8.018 4.440 1.00 0.00 C ATOM 1213 O GLU A 80 0.840 8.113 5.676 1.00 0.00 O ATOM 1214 CB GLU A 80 2.463 8.855 2.702 1.00 0.00 C ATOM 1215 CG GLU A 80 2.813 10.182 3.372 1.00 0.00 C ATOM 1216 CD GLU A 80 4.235 10.222 3.907 1.00 0.00 C ATOM 1217 OE1 GLU A 80 5.176 10.056 3.100 1.00 0.00 O ATOM 1218 OE2 GLU A 80 4.423 10.440 5.119 1.00 0.00 O ATOM 0 H GLU A 80 2.210 6.545 1.917 1.00 0.00 H new ATOM 0 HA GLU A 80 2.960 7.590 4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 80 3.294 8.557 2.063 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.601 9.009 2.052 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.678 10.991 2.654 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.117 10.363 4.191 1.00 0.00 H new ATOM 1225 N GLU A 81 -0.242 8.166 3.698 1.00 0.00 N ATOM 1226 CA GLU A 81 -1.544 8.435 4.309 1.00 0.00 C ATOM 1227 C GLU A 81 -1.971 7.293 5.246 1.00 0.00 C ATOM 1228 O GLU A 81 -2.361 7.538 6.387 1.00 0.00 O ATOM 1229 CB GLU A 81 -2.614 8.693 3.233 1.00 0.00 C ATOM 1230 CG GLU A 81 -2.399 10.000 2.469 1.00 0.00 C ATOM 1231 CD GLU A 81 -3.557 10.369 1.547 1.00 0.00 C ATOM 1232 OE1 GLU A 81 -4.709 10.448 2.025 1.00 0.00 O ATOM 1233 OE2 GLU A 81 -3.315 10.625 0.348 1.00 0.00 O ATOM 0 H GLU A 81 -0.256 8.105 2.680 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.445 9.337 4.912 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.616 7.863 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.596 8.713 3.705 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -2.244 10.808 3.185 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -1.487 9.919 1.878 1.00 0.00 H new ATOM 1240 N LEU A 82 -1.866 6.047 4.773 1.00 0.00 N ATOM 1241 CA LEU A 82 -2.205 4.872 5.596 1.00 0.00 C ATOM 1242 C LEU A 82 -1.394 4.830 6.903 1.00 0.00 C ATOM 1243 O LEU A 82 -1.889 4.376 7.938 1.00 0.00 O ATOM 1244 CB LEU A 82 -1.992 3.573 4.810 1.00 0.00 C ATOM 1245 CG LEU A 82 -2.960 3.341 3.640 1.00 0.00 C ATOM 1246 CD1 LEU A 82 -2.664 2.009 2.957 1.00 0.00 C ATOM 1247 CD2 LEU A 82 -4.411 3.397 4.120 1.00 0.00 C ATOM 0 H LEU A 82 -1.551 5.822 3.829 1.00 0.00 H new ATOM 0 HA LEU A 82 -3.259 4.963 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.973 3.566 4.422 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -2.076 2.733 5.500 1.00 0.00 H new ATOM 0 HG LEU A 82 -2.815 4.138 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.359 1.861 2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.643 2.015 2.575 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -2.778 1.198 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -5.080 3.230 3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.576 2.625 4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.613 4.376 4.555 1.00 0.00 H new ATOM 1259 N ALA A 83 -0.152 5.303 6.854 1.00 0.00 N ATOM 1260 CA ALA A 83 0.682 5.404 8.053 1.00 0.00 C ATOM 1261 C ALA A 83 0.034 6.327 9.093 1.00 0.00 C ATOM 1262 O ALA A 83 -0.090 5.970 10.267 1.00 0.00 O ATOM 1263 CB ALA A 83 2.075 5.904 7.691 1.00 0.00 C ATOM 0 H ALA A 83 0.301 5.623 5.998 1.00 0.00 H new ATOM 0 HA ALA A 83 0.772 4.410 8.490 1.00 0.00 H new ATOM 0 HB1 ALA A 83 2.682 5.974 8.593 1.00 0.00 H new ATOM 0 HB2 ALA A 83 2.541 5.209 6.993 1.00 0.00 H new ATOM 0 HB3 ALA A 83 1.999 6.888 7.228 1.00 0.00 H new ATOM 1269 N THR A 84 -0.397 7.509 8.645 1.00 0.00 N ATOM 1270 CA THR A 84 -1.089 8.469 9.528 1.00 0.00 C ATOM 1271 C THR A 84 -2.521 8.013 9.870 1.00 0.00 C ATOM 1272 O THR A 84 -3.205 8.631 10.690 1.00 0.00 O ATOM 1273 CB THR A 84 -1.165 9.882 8.899 1.00 0.00 C ATOM 1274 OG1 THR A 84 -2.065 9.880 7.777 1.00 0.00 O ATOM 1275 CG2 THR A 84 0.215 10.356 8.445 1.00 0.00 C ATOM 0 H THR A 84 -0.283 7.829 7.683 1.00 0.00 H new ATOM 0 HA THR A 84 -0.495 8.508 10.441 1.00 0.00 H new ATOM 0 HB THR A 84 -1.536 10.568 9.661 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.066 8.993 7.360 1.00 0.00 H new ATOM 0 HG21 THR A 84 0.132 11.351 8.007 1.00 0.00 H new ATOM 0 HG22 THR A 84 0.888 10.392 9.302 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.611 9.664 7.701 1.00 0.00 H new ATOM 1283 N LYS A 85 -2.991 6.955 9.209 1.00 0.00 N ATOM 1284 CA LYS A 85 -4.287 6.349 9.533 1.00 0.00 C ATOM 1285 C LYS A 85 -4.167 5.434 10.766 1.00 0.00 C ATOM 1286 O LYS A 85 -4.936 5.549 11.722 1.00 0.00 O ATOM 1287 CB LYS A 85 -4.813 5.527 8.343 1.00 0.00 C ATOM 1288 CG LYS A 85 -5.076 6.329 7.070 1.00 0.00 C ATOM 1289 CD LYS A 85 -6.295 7.240 7.185 1.00 0.00 C ATOM 1290 CE LYS A 85 -6.649 7.864 5.838 1.00 0.00 C ATOM 1291 NZ LYS A 85 -7.894 8.673 5.901 1.00 0.00 N ATOM 0 H LYS A 85 -2.494 6.498 8.444 1.00 0.00 H new ATOM 0 HA LYS A 85 -4.986 7.156 9.751 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.092 4.741 8.117 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.738 5.035 8.642 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.198 6.932 6.838 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.219 5.642 6.236 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.145 6.669 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.096 8.027 7.912 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.825 8.495 5.505 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -6.768 7.076 5.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -7.919 9.335 5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -8.720 8.043 5.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.916 9.208 6.792 1.00 0.00 H new ATOM 1305 N ARG A 86 -3.196 4.522 10.723 1.00 0.00 N ATOM 1306 CA ARG A 86 -2.981 3.551 11.804 1.00 0.00 C ATOM 1307 C ARG A 86 -2.161 4.127 12.973 1.00 0.00 C ATOM 1308 O ARG A 86 -2.623 4.140 14.114 1.00 0.00 O ATOM 1309 CB ARG A 86 -2.283 2.294 11.252 1.00 0.00 C ATOM 1310 CG ARG A 86 -3.226 1.141 10.918 1.00 0.00 C ATOM 1311 CD ARG A 86 -3.934 0.618 12.166 1.00 0.00 C ATOM 1312 NE ARG A 86 -4.557 -0.690 11.947 1.00 0.00 N ATOM 1313 CZ ARG A 86 -4.761 -1.566 12.899 1.00 0.00 C ATOM 1314 NH1 ARG A 86 -4.420 -1.298 14.121 1.00 0.00 N ATOM 1315 NH2 ARG A 86 -5.294 -2.715 12.624 1.00 0.00 N ATOM 0 H ARG A 86 -2.540 4.433 9.947 1.00 0.00 H new ATOM 0 HA ARG A 86 -3.965 3.294 12.197 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -1.730 2.566 10.353 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -1.552 1.949 11.984 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -3.967 1.474 10.191 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.663 0.332 10.452 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -3.217 0.544 12.983 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -4.696 1.333 12.475 1.00 0.00 H new ATOM 0 HE ARG A 86 -4.848 -0.932 11.000 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.990 -0.401 14.345 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.582 -1.985 14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -5.556 -2.939 11.664 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -5.452 -3.395 13.368 1.00 0.00 H new ATOM 1329 N PHE A 87 -0.949 4.595 12.686 1.00 0.00 N ATOM 1330 CA PHE A 87 0.006 4.978 13.738 1.00 0.00 C ATOM 1331 C PHE A 87 -0.185 6.432 14.201 1.00 0.00 C ATOM 1332 O PHE A 87 0.752 7.233 14.173 1.00 0.00 O ATOM 1333 CB PHE A 87 1.441 4.762 13.238 1.00 0.00 C ATOM 1334 CG PHE A 87 1.711 3.349 12.779 1.00 0.00 C ATOM 1335 CD1 PHE A 87 2.029 2.354 13.695 1.00 0.00 C ATOM 1336 CD2 PHE A 87 1.637 3.012 11.434 1.00 0.00 C ATOM 1337 CE1 PHE A 87 2.269 1.059 13.277 1.00 0.00 C ATOM 1338 CE2 PHE A 87 1.875 1.719 11.014 1.00 0.00 C ATOM 1339 CZ PHE A 87 2.191 0.742 11.936 1.00 0.00 C ATOM 0 H PHE A 87 -0.599 4.720 11.736 1.00 0.00 H new ATOM 0 HA PHE A 87 -0.183 4.342 14.602 1.00 0.00 H new ATOM 0 HB2 PHE A 87 1.637 5.447 12.414 1.00 0.00 H new ATOM 0 HB3 PHE A 87 2.138 5.016 14.037 1.00 0.00 H new ATOM 0 HD1 PHE A 87 2.089 2.595 14.746 1.00 0.00 H new ATOM 0 HD2 PHE A 87 1.390 3.772 10.707 1.00 0.00 H new ATOM 0 HE1 PHE A 87 2.517 0.295 13.999 1.00 0.00 H new ATOM 0 HE2 PHE A 87 1.814 1.472 9.964 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.377 -0.270 11.608 1.00 0.00 H new ATOM 1349 N LYS A 88 -1.401 6.752 14.655 1.00 0.00 N ATOM 1350 CA LYS A 88 -1.746 8.107 15.118 1.00 0.00 C ATOM 1351 C LYS A 88 -1.608 9.153 13.995 1.00 0.00 C ATOM 1352 O LYS A 88 -1.176 8.847 12.885 1.00 0.00 O ATOM 1353 CB LYS A 88 -0.861 8.512 16.314 1.00 0.00 C ATOM 1354 CG LYS A 88 -0.922 7.542 17.493 1.00 0.00 C ATOM 1355 CD LYS A 88 0.060 7.933 18.598 1.00 0.00 C ATOM 1356 CE LYS A 88 0.105 6.896 19.714 1.00 0.00 C ATOM 1357 NZ LYS A 88 -1.206 6.748 20.400 1.00 0.00 N ATOM 0 H LYS A 88 -2.172 6.086 14.713 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.790 8.082 15.429 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.172 8.592 15.977 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.162 9.502 16.656 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.935 7.522 17.896 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.697 6.533 17.146 1.00 0.00 H new ATOM 0 HD2 LYS A 88 1.056 8.051 18.172 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.226 8.900 19.012 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.407 5.934 19.301 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.864 7.182 20.443 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -1.102 6.109 21.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.532 7.679 20.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.902 6.352 19.737 1.00 0.00 H new ATOM 1371 N GLY A 89 -1.981 10.394 14.296 1.00 0.00 N ATOM 1372 CA GLY A 89 -1.817 11.481 13.335 1.00 0.00 C ATOM 1373 C GLY A 89 -0.541 12.287 13.570 1.00 0.00 C ATOM 1374 O GLY A 89 -0.492 13.483 13.278 1.00 0.00 O ATOM 0 H GLY A 89 -2.394 10.670 15.187 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.801 11.069 12.326 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.678 12.146 13.394 1.00 0.00 H new ATOM 1378 N LYS A 90 0.487 11.632 14.110 1.00 0.00 N ATOM 1379 CA LYS A 90 1.769 12.283 14.425 1.00 0.00 C ATOM 1380 C LYS A 90 2.945 11.333 14.157 1.00 0.00 C ATOM 1381 O LYS A 90 2.742 10.140 13.937 1.00 0.00 O ATOM 1382 CB LYS A 90 1.798 12.711 15.900 1.00 0.00 C ATOM 1383 CG LYS A 90 0.722 13.722 16.289 1.00 0.00 C ATOM 1384 CD LYS A 90 0.716 13.985 17.792 1.00 0.00 C ATOM 1385 CE LYS A 90 -0.398 14.943 18.200 1.00 0.00 C ATOM 1386 NZ LYS A 90 -0.495 15.083 19.676 1.00 0.00 N ATOM 0 H LYS A 90 0.460 10.639 14.342 1.00 0.00 H new ATOM 0 HA LYS A 90 1.866 13.160 13.784 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.688 11.824 16.524 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.776 13.138 16.122 1.00 0.00 H new ATOM 0 HG2 LYS A 90 0.891 14.658 15.756 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -0.255 13.351 15.980 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.596 13.042 18.325 1.00 0.00 H new ATOM 0 HD3 LYS A 90 1.679 14.400 18.091 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.218 15.921 17.754 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -1.349 14.583 17.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.264 15.742 19.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -0.692 14.154 20.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 0.403 15.450 20.050 1.00 0.00 H new ATOM 1400 N SER A 91 4.172 11.867 14.188 1.00 0.00 N ATOM 1401 CA SER A 91 5.386 11.053 14.008 1.00 0.00 C ATOM 1402 C SER A 91 5.345 10.261 12.687 1.00 0.00 C ATOM 1403 O SER A 91 5.668 9.071 12.646 1.00 0.00 O ATOM 1404 CB SER A 91 5.548 10.098 15.204 1.00 0.00 C ATOM 1405 OG SER A 91 6.713 9.294 15.089 1.00 0.00 O ATOM 0 H SER A 91 4.353 12.860 14.336 1.00 0.00 H new ATOM 0 HA SER A 91 6.245 11.723 13.960 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.597 10.677 16.126 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.670 9.456 15.277 1.00 0.00 H new ATOM 0 HG SER A 91 6.588 8.463 15.594 1.00 0.00 H new ATOM 1411 N LYS A 92 4.984 10.943 11.596 1.00 0.00 N ATOM 1412 CA LYS A 92 4.779 10.292 10.303 1.00 0.00 C ATOM 1413 C LYS A 92 6.073 9.670 9.743 1.00 0.00 C ATOM 1414 O LYS A 92 6.017 8.794 8.879 1.00 0.00 O ATOM 1415 CB LYS A 92 4.188 11.290 9.303 1.00 0.00 C ATOM 1416 CG LYS A 92 5.099 12.466 8.974 1.00 0.00 C ATOM 1417 CD LYS A 92 4.510 13.354 7.885 1.00 0.00 C ATOM 1418 CE LYS A 92 5.455 14.492 7.520 1.00 0.00 C ATOM 1419 NZ LYS A 92 6.770 13.995 7.033 1.00 0.00 N ATOM 0 H LYS A 92 4.828 11.951 11.585 1.00 0.00 H new ATOM 0 HA LYS A 92 4.077 9.473 10.459 1.00 0.00 H new ATOM 0 HB2 LYS A 92 3.949 10.762 8.380 1.00 0.00 H new ATOM 0 HB3 LYS A 92 3.250 11.674 9.703 1.00 0.00 H new ATOM 0 HG2 LYS A 92 5.267 13.058 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.071 12.093 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 92 4.301 12.755 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 92 3.559 13.764 8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 92 4.995 15.112 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 92 5.609 15.128 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 7.152 14.658 6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 7.431 13.920 7.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 6.647 13.059 6.597 1.00 0.00 H new ATOM 1433 N GLU A 93 7.230 10.123 10.225 1.00 0.00 N ATOM 1434 CA GLU A 93 8.507 9.485 9.870 1.00 0.00 C ATOM 1435 C GLU A 93 8.528 8.036 10.384 1.00 0.00 C ATOM 1436 O GLU A 93 8.659 7.085 9.612 1.00 0.00 O ATOM 1437 CB GLU A 93 9.703 10.263 10.456 1.00 0.00 C ATOM 1438 CG GLU A 93 9.937 11.646 9.845 1.00 0.00 C ATOM 1439 CD GLU A 93 8.837 12.648 10.166 1.00 0.00 C ATOM 1440 OE1 GLU A 93 8.676 13.008 11.353 1.00 0.00 O ATOM 1441 OE2 GLU A 93 8.132 13.082 9.239 1.00 0.00 O ATOM 0 H GLU A 93 7.315 10.920 10.856 1.00 0.00 H new ATOM 0 HA GLU A 93 8.597 9.490 8.784 1.00 0.00 H new ATOM 0 HB2 GLU A 93 9.552 10.378 11.529 1.00 0.00 H new ATOM 0 HB3 GLU A 93 10.605 9.666 10.323 1.00 0.00 H new ATOM 0 HG2 GLU A 93 10.889 12.037 10.205 1.00 0.00 H new ATOM 0 HG3 GLU A 93 10.022 11.546 8.763 1.00 0.00 H new ATOM 1448 N GLU A 94 8.387 7.886 11.698 1.00 0.00 N ATOM 1449 CA GLU A 94 8.288 6.572 12.342 1.00 0.00 C ATOM 1450 C GLU A 94 7.115 5.753 11.773 1.00 0.00 C ATOM 1451 O GLU A 94 7.249 4.560 11.496 1.00 0.00 O ATOM 1452 CB GLU A 94 8.111 6.770 13.854 1.00 0.00 C ATOM 1453 CG GLU A 94 7.799 5.500 14.635 1.00 0.00 C ATOM 1454 CD GLU A 94 7.503 5.783 16.101 1.00 0.00 C ATOM 1455 OE1 GLU A 94 6.510 6.491 16.386 1.00 0.00 O ATOM 1456 OE2 GLU A 94 8.252 5.298 16.974 1.00 0.00 O ATOM 0 H GLU A 94 8.338 8.669 12.350 1.00 0.00 H new ATOM 0 HA GLU A 94 9.203 6.015 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 94 9.022 7.212 14.257 1.00 0.00 H new ATOM 0 HB3 GLU A 94 7.308 7.488 14.020 1.00 0.00 H new ATOM 0 HG2 GLU A 94 6.942 4.999 14.184 1.00 0.00 H new ATOM 0 HG3 GLU A 94 8.643 4.815 14.563 1.00 0.00 H new ATOM 1463 N ALA A 95 5.972 6.414 11.599 1.00 0.00 N ATOM 1464 CA ALA A 95 4.765 5.772 11.067 1.00 0.00 C ATOM 1465 C ALA A 95 5.000 5.168 9.672 1.00 0.00 C ATOM 1466 O ALA A 95 4.613 4.026 9.408 1.00 0.00 O ATOM 1467 CB ALA A 95 3.621 6.778 11.024 1.00 0.00 C ATOM 0 H ALA A 95 5.854 7.403 11.820 1.00 0.00 H new ATOM 0 HA ALA A 95 4.503 4.951 11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 95 2.727 6.296 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 95 3.420 7.144 12.031 1.00 0.00 H new ATOM 0 HB3 ALA A 95 3.896 7.615 10.382 1.00 0.00 H new ATOM 1473 N PHE A 96 5.639 5.936 8.787 1.00 0.00 N ATOM 1474 CA PHE A 96 5.912 5.480 7.417 1.00 0.00 C ATOM 1475 C PHE A 96 6.801 4.225 7.415 1.00 0.00 C ATOM 1476 O PHE A 96 6.456 3.204 6.814 1.00 0.00 O ATOM 1477 CB PHE A 96 6.571 6.603 6.600 1.00 0.00 C ATOM 1478 CG PHE A 96 6.732 6.274 5.134 1.00 0.00 C ATOM 1479 CD1 PHE A 96 5.671 6.432 4.254 1.00 0.00 C ATOM 1480 CD2 PHE A 96 7.939 5.798 4.641 1.00 0.00 C ATOM 1481 CE1 PHE A 96 5.812 6.125 2.914 1.00 0.00 C ATOM 1482 CE2 PHE A 96 8.084 5.488 3.303 1.00 0.00 C ATOM 1483 CZ PHE A 96 7.019 5.652 2.438 1.00 0.00 C ATOM 0 H PHE A 96 5.978 6.876 8.992 1.00 0.00 H new ATOM 0 HA PHE A 96 4.960 5.219 6.954 1.00 0.00 H new ATOM 0 HB2 PHE A 96 5.973 7.509 6.696 1.00 0.00 H new ATOM 0 HB3 PHE A 96 7.551 6.821 7.024 1.00 0.00 H new ATOM 0 HD1 PHE A 96 4.724 6.799 4.621 1.00 0.00 H new ATOM 0 HD2 PHE A 96 8.775 5.668 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 96 4.979 6.255 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 96 9.029 5.118 2.933 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.130 5.411 1.391 1.00 0.00 H new ATOM 1493 N ASP A 97 7.946 4.307 8.089 1.00 0.00 N ATOM 1494 CA ASP A 97 8.845 3.155 8.227 1.00 0.00 C ATOM 1495 C ASP A 97 8.135 1.947 8.872 1.00 0.00 C ATOM 1496 O ASP A 97 8.362 0.800 8.483 1.00 0.00 O ATOM 1497 CB ASP A 97 10.078 3.545 9.052 1.00 0.00 C ATOM 1498 CG ASP A 97 11.006 4.487 8.302 1.00 0.00 C ATOM 1499 OD1 ASP A 97 10.606 5.635 8.029 1.00 0.00 O ATOM 1500 OD2 ASP A 97 12.154 4.087 7.999 1.00 0.00 O ATOM 0 H ASP A 97 8.276 5.156 8.549 1.00 0.00 H new ATOM 0 HA ASP A 97 9.157 2.858 7.226 1.00 0.00 H new ATOM 0 HB2 ASP A 97 9.756 4.019 9.979 1.00 0.00 H new ATOM 0 HB3 ASP A 97 10.626 2.644 9.329 1.00 0.00 H new ATOM 1505 N ALA A 98 7.265 2.212 9.849 1.00 0.00 N ATOM 1506 CA ALA A 98 6.539 1.147 10.555 1.00 0.00 C ATOM 1507 C ALA A 98 5.568 0.384 9.633 1.00 0.00 C ATOM 1508 O ALA A 98 5.576 -0.848 9.601 1.00 0.00 O ATOM 1509 CB ALA A 98 5.790 1.725 11.752 1.00 0.00 C ATOM 0 H ALA A 98 7.044 3.154 10.171 1.00 0.00 H new ATOM 0 HA ALA A 98 7.280 0.428 10.903 1.00 0.00 H new ATOM 0 HB1 ALA A 98 5.256 0.927 12.267 1.00 0.00 H new ATOM 0 HB2 ALA A 98 6.501 2.187 12.437 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.078 2.475 11.408 1.00 0.00 H new ATOM 1515 N ILE A 99 4.730 1.109 8.884 1.00 0.00 N ATOM 1516 CA ILE A 99 3.779 0.460 7.967 1.00 0.00 C ATOM 1517 C ILE A 99 4.521 -0.309 6.863 1.00 0.00 C ATOM 1518 O ILE A 99 4.134 -1.419 6.489 1.00 0.00 O ATOM 1519 CB ILE A 99 2.783 1.474 7.335 1.00 0.00 C ATOM 1520 CG1 ILE A 99 1.754 0.736 6.461 1.00 0.00 C ATOM 1521 CG2 ILE A 99 3.516 2.546 6.525 1.00 0.00 C ATOM 1522 CD1 ILE A 99 0.721 1.644 5.825 1.00 0.00 C ATOM 0 H ILE A 99 4.688 2.128 8.891 1.00 0.00 H new ATOM 0 HA ILE A 99 3.198 -0.244 8.563 1.00 0.00 H new ATOM 0 HB ILE A 99 2.255 1.979 8.144 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.281 0.196 5.675 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.242 -0.008 7.071 1.00 0.00 H new ATOM 0 HG21 ILE A 99 2.791 3.238 6.097 1.00 0.00 H new ATOM 0 HG22 ILE A 99 4.198 3.092 7.177 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.082 2.072 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.033 1.048 5.225 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.165 2.165 6.605 1.00 0.00 H new ATOM 0 HD13 ILE A 99 1.221 2.373 5.187 1.00 0.00 H new ATOM 1534 N CYS A 100 5.605 0.280 6.357 1.00 0.00 N ATOM 1535 CA CYS A 100 6.472 -0.399 5.388 1.00 0.00 C ATOM 1536 C CYS A 100 7.082 -1.672 5.995 1.00 0.00 C ATOM 1537 O CYS A 100 7.190 -2.703 5.331 1.00 0.00 O ATOM 1538 CB CYS A 100 7.589 0.542 4.919 1.00 0.00 C ATOM 1539 SG CYS A 100 8.816 -0.240 3.844 1.00 0.00 S ATOM 0 H CYS A 100 5.905 1.224 6.600 1.00 0.00 H new ATOM 0 HA CYS A 100 5.861 -0.682 4.531 1.00 0.00 H new ATOM 0 HB2 CYS A 100 7.142 1.383 4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 100 8.096 0.950 5.793 1.00 0.00 H new ATOM 0 HG CYS A 100 9.873 -0.539 4.538 1.00 0.00 H new ATOM 1545 N GLN A 101 7.461 -1.584 7.271 1.00 0.00 N ATOM 1546 CA GLN A 101 8.040 -2.714 8.007 1.00 0.00 C ATOM 1547 C GLN A 101 7.063 -3.902 8.086 1.00 0.00 C ATOM 1548 O GLN A 101 7.467 -5.062 7.975 1.00 0.00 O ATOM 1549 CB GLN A 101 8.421 -2.257 9.421 1.00 0.00 C ATOM 1550 CG GLN A 101 9.173 -3.302 10.232 1.00 0.00 C ATOM 1551 CD GLN A 101 9.486 -2.835 11.641 1.00 0.00 C ATOM 1552 OE1 GLN A 101 10.517 -2.222 11.893 1.00 0.00 O ATOM 1553 NE2 GLN A 101 8.604 -3.130 12.572 1.00 0.00 N ATOM 0 H GLN A 101 7.376 -0.731 7.824 1.00 0.00 H new ATOM 0 HA GLN A 101 8.927 -3.051 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 101 9.035 -1.359 9.348 1.00 0.00 H new ATOM 0 HB3 GLN A 101 7.514 -1.980 9.958 1.00 0.00 H new ATOM 0 HG2 GLN A 101 8.580 -4.215 10.280 1.00 0.00 H new ATOM 0 HG3 GLN A 101 10.103 -3.552 9.721 1.00 0.00 H new ATOM 0 HE21 GLN A 101 7.756 -3.642 12.327 1.00 0.00 H new ATOM 0 HE22 GLN A 101 8.768 -2.847 13.538 1.00 0.00 H new ATOM 1562 N LEU A 102 5.778 -3.600 8.283 1.00 0.00 N ATOM 1563 CA LEU A 102 4.736 -4.636 8.380 1.00 0.00 C ATOM 1564 C LEU A 102 4.539 -5.372 7.043 1.00 0.00 C ATOM 1565 O LEU A 102 4.276 -6.577 7.017 1.00 0.00 O ATOM 1566 CB LEU A 102 3.403 -4.017 8.828 1.00 0.00 C ATOM 1567 CG LEU A 102 3.417 -3.346 10.212 1.00 0.00 C ATOM 1568 CD1 LEU A 102 2.052 -2.742 10.531 1.00 0.00 C ATOM 1569 CD2 LEU A 102 3.835 -4.341 11.298 1.00 0.00 C ATOM 0 H LEU A 102 5.429 -2.646 8.379 1.00 0.00 H new ATOM 0 HA LEU A 102 5.069 -5.361 9.123 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.099 -3.277 8.088 1.00 0.00 H new ATOM 0 HB3 LEU A 102 2.642 -4.798 8.830 1.00 0.00 H new ATOM 0 HG LEU A 102 4.152 -2.541 10.190 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.083 -2.272 11.514 1.00 0.00 H new ATOM 0 HD12 LEU A 102 1.800 -1.994 9.779 1.00 0.00 H new ATOM 0 HD13 LEU A 102 1.297 -3.528 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 102 3.837 -3.842 12.267 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.131 -5.173 11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 102 4.835 -4.717 11.081 1.00 0.00 H new ATOM 1581 N VAL A 103 4.663 -4.641 5.941 1.00 0.00 N ATOM 1582 CA VAL A 103 4.474 -5.214 4.603 1.00 0.00 C ATOM 1583 C VAL A 103 5.748 -5.913 4.088 1.00 0.00 C ATOM 1584 O VAL A 103 5.676 -6.954 3.432 1.00 0.00 O ATOM 1585 CB VAL A 103 4.050 -4.120 3.585 1.00 0.00 C ATOM 1586 CG1 VAL A 103 3.793 -4.721 2.202 1.00 0.00 C ATOM 1587 CG2 VAL A 103 2.821 -3.362 4.088 1.00 0.00 C ATOM 0 H VAL A 103 4.894 -3.648 5.943 1.00 0.00 H new ATOM 0 HA VAL A 103 3.683 -5.958 4.693 1.00 0.00 H new ATOM 0 HB VAL A 103 4.873 -3.412 3.491 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.498 -3.931 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 103 4.702 -5.200 1.839 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.995 -5.461 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.540 -2.600 3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.993 -4.059 4.222 1.00 0.00 H new ATOM 0 HG23 VAL A 103 3.052 -2.886 5.041 1.00 0.00 H new ATOM 1597 N ALA A 104 6.907 -5.339 4.401 1.00 0.00 N ATOM 1598 CA ALA A 104 8.193 -5.828 3.889 1.00 0.00 C ATOM 1599 C ALA A 104 8.454 -7.304 4.240 1.00 0.00 C ATOM 1600 O ALA A 104 8.781 -7.641 5.382 1.00 0.00 O ATOM 1601 CB ALA A 104 9.329 -4.952 4.409 1.00 0.00 C ATOM 0 H ALA A 104 6.986 -4.527 5.013 1.00 0.00 H new ATOM 0 HA ALA A 104 8.148 -5.767 2.802 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.279 -5.322 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 104 9.178 -3.925 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.342 -4.982 5.498 1.00 0.00 H new ATOM 1607 N GLY A 105 8.293 -8.181 3.249 1.00 0.00 N ATOM 1608 CA GLY A 105 8.614 -9.593 3.425 1.00 0.00 C ATOM 1609 C GLY A 105 7.414 -10.450 3.815 1.00 0.00 C ATOM 1610 O GLY A 105 7.573 -11.601 4.225 1.00 0.00 O ATOM 0 H GLY A 105 7.944 -7.938 2.322 1.00 0.00 H new ATOM 0 HA2 GLY A 105 9.039 -9.978 2.498 1.00 0.00 H new ATOM 0 HA3 GLY A 105 9.383 -9.689 4.192 1.00 0.00 H new ATOM 1614 N LYS A 106 6.213 -9.901 3.678 1.00 0.00 N ATOM 1615 CA LYS A 106 4.991 -10.626 4.038 1.00 0.00 C ATOM 1616 C LYS A 106 4.491 -11.494 2.868 1.00 0.00 C ATOM 1617 O LYS A 106 4.876 -11.288 1.716 1.00 0.00 O ATOM 1618 CB LYS A 106 3.901 -9.634 4.473 1.00 0.00 C ATOM 1619 CG LYS A 106 2.743 -10.285 5.223 1.00 0.00 C ATOM 1620 CD LYS A 106 1.697 -9.263 5.663 1.00 0.00 C ATOM 1621 CE LYS A 106 0.673 -9.881 6.608 1.00 0.00 C ATOM 1622 NZ LYS A 106 1.302 -10.380 7.858 1.00 0.00 N ATOM 0 H LYS A 106 6.055 -8.959 3.321 1.00 0.00 H new ATOM 0 HA LYS A 106 5.222 -11.291 4.870 1.00 0.00 H new ATOM 0 HB2 LYS A 106 4.350 -8.870 5.108 1.00 0.00 H new ATOM 0 HB3 LYS A 106 3.511 -9.126 3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 106 2.273 -11.033 4.584 1.00 0.00 H new ATOM 0 HG3 LYS A 106 3.127 -10.809 6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 106 2.190 -8.426 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 106 1.189 -8.861 4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -0.087 -9.139 6.855 1.00 0.00 H new ATOM 0 HE3 LYS A 106 0.164 -10.703 6.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.577 -10.476 8.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 1.740 -11.307 7.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 2.030 -9.708 8.172 1.00 0.00 H new ATOM 1636 N GLU A 107 3.641 -12.472 3.175 1.00 0.00 N ATOM 1637 CA GLU A 107 3.079 -13.366 2.156 1.00 0.00 C ATOM 1638 C GLU A 107 2.021 -12.656 1.295 1.00 0.00 C ATOM 1639 O GLU A 107 1.160 -11.941 1.815 1.00 0.00 O ATOM 1640 CB GLU A 107 2.441 -14.590 2.824 1.00 0.00 C ATOM 1641 CG GLU A 107 3.429 -15.462 3.585 1.00 0.00 C ATOM 1642 CD GLU A 107 2.737 -16.527 4.420 1.00 0.00 C ATOM 1643 OE1 GLU A 107 2.216 -16.183 5.506 1.00 0.00 O ATOM 1644 OE2 GLU A 107 2.709 -17.702 3.995 1.00 0.00 O ATOM 0 H GLU A 107 3.323 -12.669 4.124 1.00 0.00 H new ATOM 0 HA GLU A 107 3.899 -13.676 1.508 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.664 -14.253 3.511 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.951 -15.194 2.061 1.00 0.00 H new ATOM 0 HG2 GLU A 107 4.106 -15.941 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 107 4.039 -14.834 4.235 1.00 0.00 H new ATOM 1651 N PRO A 108 2.060 -12.854 -0.037 1.00 0.00 N ATOM 1652 CA PRO A 108 1.044 -12.304 -0.947 1.00 0.00 C ATOM 1653 C PRO A 108 -0.308 -13.028 -0.808 1.00 0.00 C ATOM 1654 O PRO A 108 -0.700 -13.815 -1.677 1.00 0.00 O ATOM 1655 CB PRO A 108 1.657 -12.530 -2.337 1.00 0.00 C ATOM 1656 CG PRO A 108 2.560 -13.706 -2.162 1.00 0.00 C ATOM 1657 CD PRO A 108 3.101 -13.613 -0.759 1.00 0.00 C ATOM 0 HA PRO A 108 0.820 -11.257 -0.740 1.00 0.00 H new ATOM 0 HB2 PRO A 108 0.887 -12.729 -3.083 1.00 0.00 H new ATOM 0 HB3 PRO A 108 2.209 -11.653 -2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 108 2.017 -14.640 -2.309 1.00 0.00 H new ATOM 0 HG3 PRO A 108 3.368 -13.689 -2.893 1.00 0.00 H new ATOM 0 HD2 PRO A 108 3.254 -14.600 -0.322 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.062 -13.100 -0.733 1.00 0.00 H new ATOM 1665 N ALA A 109 -1.005 -12.752 0.297 1.00 0.00 N ATOM 1666 CA ALA A 109 -2.262 -13.433 0.634 1.00 0.00 C ATOM 1667 C ALA A 109 -2.055 -14.935 0.847 1.00 0.00 C ATOM 1668 O ALA A 109 -2.101 -15.727 -0.101 1.00 0.00 O ATOM 1669 CB ALA A 109 -3.316 -13.204 -0.433 1.00 0.00 C ATOM 0 H ALA A 109 -0.717 -12.053 0.982 1.00 0.00 H new ATOM 0 HA ALA A 109 -2.612 -13.000 1.571 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -4.234 -13.721 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -3.514 -12.136 -0.525 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -2.958 -13.590 -1.387 1.00 0.00 H new