USER MOD reduce.3.24.130724 H: found=0, std=0, add=600, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 601 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 18 GLN : amide:sc= 0 X(o=-1.6,f=-1.6) USER MOD Set 1.2: A 37 CYS SG : rot -138:sc= -1.62 USER MOD Set 2.1: A 16 HIS : no HE2:sc= -0.708 K(o=-1.5,f=-5) USER MOD Set 2.2: A 64 GLN : amide:sc= -0.751 X(o=-1.5,f=-1.4) USER MOD Single : A 13 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -32:sc= 0.0607 USER MOD Single : A 38 HIS : no HE2:sc= -0.956 K(o=-0.96,f=-1.5) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot -27:sc= 0.696 USER MOD Single : A 43 THR OG1 : rot 77:sc= 0.366 USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 154:sc= -3 (180deg=-4.69!) USER MOD Single : A 50 LYS NZ :NH3+ -168:sc=-0.00517 (180deg=-0.111) USER MOD Single : A 52 THR OG1 : rot 150:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0538 X(o=-0.054,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -3.77! C(o=-3.8!,f=-4.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -40:sc= 0.162 USER MOD Single : A 68 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-0.77) USER MOD Single : A 69 MET CE :methyl -158:sc= -4.21! (180deg=-5.98!) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -0.571 X(o=-0.57,f=-0.46) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 98 N GLY A 10 -5.558 18.599 -0.401 1.00 0.00 N ATOM 99 CA GLY A 10 -5.936 18.226 -1.752 1.00 0.00 C ATOM 100 C GLY A 10 -5.452 16.839 -2.127 1.00 0.00 C ATOM 101 O GLY A 10 -6.230 15.887 -2.206 1.00 0.00 O ATOM 0 HA2 GLY A 10 -7.021 18.267 -1.847 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -5.527 18.952 -2.454 1.00 0.00 H new ATOM 105 N PRO A 11 -4.139 16.711 -2.367 1.00 0.00 N ATOM 106 CA PRO A 11 -3.524 15.434 -2.741 1.00 0.00 C ATOM 107 C PRO A 11 -3.509 14.437 -1.587 1.00 0.00 C ATOM 108 O PRO A 11 -3.674 13.233 -1.791 1.00 0.00 O ATOM 109 CB PRO A 11 -2.095 15.828 -3.126 1.00 0.00 C ATOM 110 CG PRO A 11 -1.834 17.086 -2.373 1.00 0.00 C ATOM 111 CD PRO A 11 -3.153 17.802 -2.292 1.00 0.00 C ATOM 0 HA PRO A 11 -4.074 14.936 -3.540 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.383 15.049 -2.855 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -2.003 15.984 -4.201 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -1.445 16.871 -1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.089 17.698 -2.882 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.248 18.366 -1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.276 18.512 -3.110 1.00 0.00 H new ATOM 119 N LEU A 12 -3.312 14.945 -0.376 1.00 0.00 N ATOM 120 CA LEU A 12 -3.277 14.099 0.812 1.00 0.00 C ATOM 121 C LEU A 12 -4.471 13.150 0.840 1.00 0.00 C ATOM 122 O LEU A 12 -4.308 11.935 0.942 1.00 0.00 O ATOM 123 CB LEU A 12 -3.265 14.960 2.076 1.00 0.00 C ATOM 124 CG LEU A 12 -1.903 15.509 2.501 1.00 0.00 C ATOM 125 CD1 LEU A 12 -2.064 16.531 3.616 1.00 0.00 C ATOM 126 CD2 LEU A 12 -0.986 14.377 2.942 1.00 0.00 C ATOM 0 H LEU A 12 -3.174 15.938 -0.190 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.364 13.504 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.942 15.801 1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.669 14.369 2.898 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.449 16.005 1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.084 16.911 3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.684 17.356 3.266 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -2.539 16.059 4.476 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.021 14.786 3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -1.435 13.853 3.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.844 13.680 2.116 1.00 0.00 H new ATOM 138 N ASN A 13 -5.670 13.714 0.748 1.00 0.00 N ATOM 139 CA ASN A 13 -6.893 12.919 0.761 1.00 0.00 C ATOM 140 C ASN A 13 -6.807 11.774 -0.243 1.00 0.00 C ATOM 141 O ASN A 13 -6.934 10.603 0.120 1.00 0.00 O ATOM 142 CB ASN A 13 -8.103 13.799 0.446 1.00 0.00 C ATOM 143 CG ASN A 13 -9.391 13.239 1.018 1.00 0.00 C ATOM 144 OD1 ASN A 13 -9.658 12.041 0.918 1.00 0.00 O ATOM 145 ND2 ASN A 13 -10.197 14.105 1.621 1.00 0.00 N ATOM 0 H ASN A 13 -5.822 14.719 0.664 1.00 0.00 H new ATOM 0 HA ASN A 13 -7.011 12.496 1.759 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -7.936 14.799 0.846 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -8.203 13.901 -0.635 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -11.078 13.786 2.025 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -9.935 15.089 1.681 1.00 0.00 H new ATOM 152 N LEU A 14 -6.591 12.119 -1.508 1.00 0.00 N ATOM 153 CA LEU A 14 -6.487 11.120 -2.566 1.00 0.00 C ATOM 154 C LEU A 14 -5.491 10.028 -2.190 1.00 0.00 C ATOM 155 O LEU A 14 -5.702 8.853 -2.487 1.00 0.00 O ATOM 156 CB LEU A 14 -6.064 11.782 -3.879 1.00 0.00 C ATOM 157 CG LEU A 14 -7.183 12.432 -4.694 1.00 0.00 C ATOM 158 CD1 LEU A 14 -6.644 13.606 -5.497 1.00 0.00 C ATOM 159 CD2 LEU A 14 -7.837 11.411 -5.613 1.00 0.00 C ATOM 0 H LEU A 14 -6.485 13.082 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.467 10.661 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.316 12.543 -3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.578 11.031 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.939 12.806 -4.004 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.454 14.057 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.223 14.348 -4.819 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -5.868 13.256 -6.178 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.631 11.892 -6.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.091 11.007 -6.297 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.259 10.602 -5.016 1.00 0.00 H new ATOM 171 N ALA A 15 -4.407 10.425 -1.532 1.00 0.00 N ATOM 172 CA ALA A 15 -3.380 9.480 -1.110 1.00 0.00 C ATOM 173 C ALA A 15 -3.823 8.703 0.124 1.00 0.00 C ATOM 174 O ALA A 15 -3.330 7.606 0.390 1.00 0.00 O ATOM 175 CB ALA A 15 -2.073 10.208 -0.837 1.00 0.00 C ATOM 0 H ALA A 15 -4.217 11.395 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 15 -3.223 8.767 -1.919 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -1.315 9.490 -0.523 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -1.741 10.712 -1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -2.225 10.944 -0.048 1.00 0.00 H new ATOM 181 N HIS A 16 -4.757 9.277 0.876 1.00 0.00 N ATOM 182 CA HIS A 16 -5.267 8.637 2.084 1.00 0.00 C ATOM 183 C HIS A 16 -6.316 7.584 1.739 1.00 0.00 C ATOM 184 O HIS A 16 -6.321 6.492 2.307 1.00 0.00 O ATOM 185 CB HIS A 16 -5.866 9.682 3.026 1.00 0.00 C ATOM 186 CG HIS A 16 -4.843 10.409 3.843 1.00 0.00 C ATOM 187 ND1 HIS A 16 -5.098 10.897 5.107 1.00 0.00 N ATOM 188 CD2 HIS A 16 -3.556 10.728 3.570 1.00 0.00 C ATOM 189 CE1 HIS A 16 -4.013 11.486 5.576 1.00 0.00 C ATOM 190 NE2 HIS A 16 -3.063 11.398 4.663 1.00 0.00 N ATOM 0 H HIS A 16 -5.176 10.184 0.670 1.00 0.00 H new ATOM 0 HA HIS A 16 -4.434 8.144 2.584 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -6.432 10.406 2.439 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -6.573 9.192 3.696 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.986 10.816 5.602 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -3.018 10.499 2.662 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -3.919 11.959 6.542 1.00 0.00 H new ATOM 199 N GLN A 17 -7.202 7.921 0.808 1.00 0.00 N ATOM 200 CA GLN A 17 -8.256 7.004 0.390 1.00 0.00 C ATOM 201 C GLN A 17 -7.665 5.732 -0.210 1.00 0.00 C ATOM 202 O GLN A 17 -8.280 4.668 -0.159 1.00 0.00 O ATOM 203 CB GLN A 17 -9.176 7.681 -0.627 1.00 0.00 C ATOM 204 CG GLN A 17 -8.487 8.024 -1.938 1.00 0.00 C ATOM 205 CD GLN A 17 -9.465 8.437 -3.020 1.00 0.00 C ATOM 206 OE1 GLN A 17 -9.723 7.685 -3.960 1.00 0.00 O ATOM 207 NE2 GLN A 17 -10.015 9.639 -2.894 1.00 0.00 N ATOM 0 H GLN A 17 -7.211 8.821 0.329 1.00 0.00 H new ATOM 0 HA GLN A 17 -8.837 6.733 1.271 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -10.022 7.025 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -9.579 8.594 -0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -7.775 8.832 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -7.915 7.161 -2.280 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -9.773 10.230 -2.099 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -10.680 9.971 -3.592 1.00 0.00 H new ATOM 216 N GLN A 18 -6.469 5.852 -0.777 1.00 0.00 N ATOM 217 CA GLN A 18 -5.796 4.711 -1.387 1.00 0.00 C ATOM 218 C GLN A 18 -5.243 3.771 -0.321 1.00 0.00 C ATOM 219 O GLN A 18 -5.374 2.552 -0.426 1.00 0.00 O ATOM 220 CB GLN A 18 -4.666 5.187 -2.301 1.00 0.00 C ATOM 221 CG GLN A 18 -5.154 5.859 -3.574 1.00 0.00 C ATOM 222 CD GLN A 18 -5.556 4.862 -4.643 1.00 0.00 C ATOM 223 OE1 GLN A 18 -6.741 4.678 -4.922 1.00 0.00 O ATOM 224 NE2 GLN A 18 -4.569 4.213 -5.248 1.00 0.00 N ATOM 0 H GLN A 18 -5.947 6.727 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 18 -6.528 4.165 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -4.035 5.885 -1.751 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -4.042 4.334 -2.567 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -6.006 6.498 -3.340 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -4.368 6.506 -3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.601 4.397 -4.985 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.779 3.530 -5.976 1.00 0.00 H new ATOM 233 N SER A 19 -4.623 4.347 0.704 1.00 0.00 N ATOM 234 CA SER A 19 -4.045 3.561 1.788 1.00 0.00 C ATOM 235 C SER A 19 -5.044 2.528 2.302 1.00 0.00 C ATOM 236 O SER A 19 -4.685 1.384 2.577 1.00 0.00 O ATOM 237 CB SER A 19 -3.605 4.476 2.932 1.00 0.00 C ATOM 238 OG SER A 19 -2.602 3.860 3.721 1.00 0.00 O ATOM 0 H SER A 19 -4.508 5.355 0.807 1.00 0.00 H new ATOM 0 HA SER A 19 -3.173 3.035 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 19 -3.228 5.415 2.526 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.464 4.721 3.557 1.00 0.00 H new ATOM 0 HG SER A 19 -2.337 4.466 4.444 1.00 0.00 H new ATOM 244 N ARG A 20 -6.300 2.943 2.430 1.00 0.00 N ATOM 245 CA ARG A 20 -7.352 2.056 2.912 1.00 0.00 C ATOM 246 C ARG A 20 -7.451 0.806 2.043 1.00 0.00 C ATOM 247 O ARG A 20 -7.461 -0.316 2.549 1.00 0.00 O ATOM 248 CB ARG A 20 -8.696 2.786 2.930 1.00 0.00 C ATOM 249 CG ARG A 20 -8.809 3.829 4.029 1.00 0.00 C ATOM 250 CD ARG A 20 -9.180 3.196 5.361 1.00 0.00 C ATOM 251 NE ARG A 20 -9.164 4.167 6.452 1.00 0.00 N ATOM 252 CZ ARG A 20 -8.054 4.573 7.058 1.00 0.00 C ATOM 253 NH1 ARG A 20 -6.876 4.095 6.681 1.00 0.00 N ATOM 254 NH2 ARG A 20 -8.120 5.460 8.043 1.00 0.00 N ATOM 0 H ARG A 20 -6.614 3.887 2.207 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.098 1.752 3.927 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.850 3.269 1.965 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.495 2.055 3.051 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.862 4.359 4.128 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.561 4.569 3.754 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.172 2.751 5.287 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -8.484 2.388 5.585 1.00 0.00 H new ATOM 0 HE ARG A 20 -10.054 4.554 6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.821 3.414 5.924 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.025 4.409 7.148 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -9.024 5.831 8.336 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -7.267 5.771 8.507 1.00 0.00 H new ATOM 268 N ARG A 21 -7.524 1.009 0.731 1.00 0.00 N ATOM 269 CA ARG A 21 -7.624 -0.101 -0.209 1.00 0.00 C ATOM 270 C ARG A 21 -6.544 -1.144 0.064 1.00 0.00 C ATOM 271 O ARG A 21 -6.843 -2.317 0.289 1.00 0.00 O ATOM 272 CB ARG A 21 -7.504 0.408 -1.647 1.00 0.00 C ATOM 273 CG ARG A 21 -7.677 -0.680 -2.694 1.00 0.00 C ATOM 274 CD ARG A 21 -6.912 -0.353 -3.967 1.00 0.00 C ATOM 275 NE ARG A 21 -6.514 -1.558 -4.691 1.00 0.00 N ATOM 276 CZ ARG A 21 -7.338 -2.258 -5.462 1.00 0.00 C ATOM 277 NH1 ARG A 21 -8.599 -1.876 -5.609 1.00 0.00 N ATOM 278 NH2 ARG A 21 -6.902 -3.343 -6.088 1.00 0.00 N ATOM 0 H ARG A 21 -7.516 1.931 0.296 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.599 -0.569 -0.076 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -8.253 1.183 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -6.528 0.875 -1.778 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -7.328 -1.632 -2.293 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -8.736 -0.800 -2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -7.531 0.270 -4.612 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -6.025 0.230 -3.718 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.550 -1.879 -4.599 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.939 -1.042 -5.129 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.230 -2.416 -6.202 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -5.933 -3.641 -5.977 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -7.536 -3.880 -6.680 1.00 0.00 H new ATOM 292 N ALA A 22 -5.289 -0.708 0.043 1.00 0.00 N ATOM 293 CA ALA A 22 -4.165 -1.603 0.290 1.00 0.00 C ATOM 294 C ALA A 22 -4.395 -2.439 1.544 1.00 0.00 C ATOM 295 O ALA A 22 -4.146 -3.645 1.552 1.00 0.00 O ATOM 296 CB ALA A 22 -2.874 -0.807 0.412 1.00 0.00 C ATOM 0 H ALA A 22 -5.025 0.260 -0.143 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.080 -2.283 -0.557 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.043 -1.488 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.696 -0.259 -0.513 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.957 -0.103 1.240 1.00 0.00 H new ATOM 302 N ASP A 23 -4.869 -1.791 2.602 1.00 0.00 N ATOM 303 CA ASP A 23 -5.132 -2.476 3.863 1.00 0.00 C ATOM 304 C ASP A 23 -6.092 -3.644 3.657 1.00 0.00 C ATOM 305 O ASP A 23 -5.756 -4.793 3.942 1.00 0.00 O ATOM 306 CB ASP A 23 -5.711 -1.499 4.887 1.00 0.00 C ATOM 307 CG ASP A 23 -4.636 -0.820 5.712 1.00 0.00 C ATOM 308 OD1 ASP A 23 -3.600 -0.431 5.133 1.00 0.00 O ATOM 309 OD2 ASP A 23 -4.830 -0.678 6.937 1.00 0.00 O ATOM 0 H ASP A 23 -5.079 -0.793 2.612 1.00 0.00 H new ATOM 0 HA ASP A 23 -4.187 -2.868 4.239 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.300 -0.742 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.391 -2.033 5.551 1.00 0.00 H new ATOM 314 N ARG A 24 -7.287 -3.341 3.161 1.00 0.00 N ATOM 315 CA ARG A 24 -8.296 -4.365 2.920 1.00 0.00 C ATOM 316 C ARG A 24 -7.746 -5.469 2.021 1.00 0.00 C ATOM 317 O ARG A 24 -8.186 -6.617 2.089 1.00 0.00 O ATOM 318 CB ARG A 24 -9.540 -3.745 2.281 1.00 0.00 C ATOM 319 CG ARG A 24 -10.170 -2.644 3.119 1.00 0.00 C ATOM 320 CD ARG A 24 -11.189 -3.204 4.099 1.00 0.00 C ATOM 321 NE ARG A 24 -10.576 -3.587 5.368 1.00 0.00 N ATOM 322 CZ ARG A 24 -11.266 -3.809 6.480 1.00 0.00 C ATOM 323 NH1 ARG A 24 -12.586 -3.688 6.481 1.00 0.00 N ATOM 324 NH2 ARG A 24 -10.636 -4.155 7.596 1.00 0.00 N ATOM 0 H ARG A 24 -7.580 -2.395 2.918 1.00 0.00 H new ATOM 0 HA ARG A 24 -8.569 -4.804 3.880 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.273 -3.340 1.305 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.279 -4.528 2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -9.392 -2.111 3.666 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -10.653 -1.919 2.465 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -11.964 -2.459 4.281 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.678 -4.072 3.657 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.562 -3.690 5.402 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.075 -3.424 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.113 -3.859 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.620 -4.251 7.600 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.167 -4.325 8.450 1.00 0.00 H new ATOM 338 N LEU A 25 -6.782 -5.113 1.178 1.00 0.00 N ATOM 339 CA LEU A 25 -6.172 -6.072 0.265 1.00 0.00 C ATOM 340 C LEU A 25 -5.178 -6.967 0.999 1.00 0.00 C ATOM 341 O LEU A 25 -5.116 -8.173 0.757 1.00 0.00 O ATOM 342 CB LEU A 25 -5.468 -5.340 -0.879 1.00 0.00 C ATOM 343 CG LEU A 25 -6.366 -4.852 -2.017 1.00 0.00 C ATOM 344 CD1 LEU A 25 -5.625 -3.849 -2.887 1.00 0.00 C ATOM 345 CD2 LEU A 25 -6.856 -6.026 -2.851 1.00 0.00 C ATOM 0 H LEU A 25 -6.407 -4.167 1.108 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.963 -6.699 -0.145 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.942 -4.480 -0.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.713 -6.004 -1.298 1.00 0.00 H new ATOM 0 HG LEU A 25 -7.233 -4.355 -1.583 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.279 -3.512 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.325 -2.994 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.739 -4.321 -3.313 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -7.493 -5.660 -3.656 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.001 -6.552 -3.276 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.425 -6.708 -2.220 1.00 0.00 H new ATOM 357 N LEU A 26 -4.404 -6.370 1.898 1.00 0.00 N ATOM 358 CA LEU A 26 -3.414 -7.113 2.670 1.00 0.00 C ATOM 359 C LEU A 26 -4.068 -8.263 3.429 1.00 0.00 C ATOM 360 O LEU A 26 -3.565 -9.386 3.427 1.00 0.00 O ATOM 361 CB LEU A 26 -2.699 -6.181 3.649 1.00 0.00 C ATOM 362 CG LEU A 26 -2.130 -6.839 4.907 1.00 0.00 C ATOM 363 CD1 LEU A 26 -1.015 -7.807 4.546 1.00 0.00 C ATOM 364 CD2 LEU A 26 -1.627 -5.783 5.880 1.00 0.00 C ATOM 0 H LEU A 26 -4.443 -5.373 2.111 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.684 -7.529 1.976 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -1.883 -5.688 3.120 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -3.398 -5.402 3.955 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.928 -7.401 5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.623 -8.265 5.454 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.406 -8.583 3.888 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.216 -7.268 4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.226 -6.269 6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.844 -5.193 5.404 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -2.451 -5.129 6.165 1.00 0.00 H new ATOM 376 N ALA A 27 -5.192 -7.975 4.076 1.00 0.00 N ATOM 377 CA ALA A 27 -5.917 -8.986 4.836 1.00 0.00 C ATOM 378 C ALA A 27 -6.332 -10.151 3.944 1.00 0.00 C ATOM 379 O ALA A 27 -6.264 -11.311 4.349 1.00 0.00 O ATOM 380 CB ALA A 27 -7.137 -8.370 5.504 1.00 0.00 C ATOM 0 H ALA A 27 -5.621 -7.050 4.089 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.250 -9.372 5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.669 -9.136 6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -6.820 -7.576 6.180 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -7.798 -7.955 4.743 1.00 0.00 H new ATOM 386 N ALA A 28 -6.762 -9.834 2.727 1.00 0.00 N ATOM 387 CA ALA A 28 -7.186 -10.855 1.777 1.00 0.00 C ATOM 388 C ALA A 28 -5.989 -11.471 1.061 1.00 0.00 C ATOM 389 O ALA A 28 -6.137 -12.109 0.020 1.00 0.00 O ATOM 390 CB ALA A 28 -8.160 -10.264 0.768 1.00 0.00 C ATOM 0 H ALA A 28 -6.826 -8.878 2.376 1.00 0.00 H new ATOM 0 HA ALA A 28 -7.690 -11.646 2.333 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -8.469 -11.037 0.064 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.035 -9.878 1.290 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.674 -9.453 0.226 1.00 0.00 H new ATOM 396 N GLY A 29 -4.802 -11.274 1.627 1.00 0.00 N ATOM 397 CA GLY A 29 -3.596 -11.816 1.028 1.00 0.00 C ATOM 398 C GLY A 29 -3.341 -11.266 -0.362 1.00 0.00 C ATOM 399 O GLY A 29 -2.562 -11.833 -1.129 1.00 0.00 O ATOM 0 H GLY A 29 -4.654 -10.749 2.489 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.743 -11.589 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.676 -12.902 0.977 1.00 0.00 H new ATOM 403 N LYS A 30 -4.000 -10.160 -0.688 1.00 0.00 N ATOM 404 CA LYS A 30 -3.842 -9.532 -1.995 1.00 0.00 C ATOM 405 C LYS A 30 -2.638 -8.596 -2.007 1.00 0.00 C ATOM 406 O LYS A 30 -2.669 -7.537 -2.635 1.00 0.00 O ATOM 407 CB LYS A 30 -5.107 -8.757 -2.368 1.00 0.00 C ATOM 408 CG LYS A 30 -6.376 -9.589 -2.287 1.00 0.00 C ATOM 409 CD LYS A 30 -6.677 -10.276 -3.609 1.00 0.00 C ATOM 410 CE LYS A 30 -7.548 -9.407 -4.503 1.00 0.00 C ATOM 411 NZ LYS A 30 -7.746 -10.017 -5.847 1.00 0.00 N ATOM 0 H LYS A 30 -4.649 -9.679 -0.065 1.00 0.00 H new ATOM 0 HA LYS A 30 -3.676 -10.319 -2.730 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -5.204 -7.896 -1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.000 -8.370 -3.381 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.272 -10.338 -1.502 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.214 -8.950 -2.009 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -5.743 -10.506 -4.122 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -7.179 -11.225 -3.421 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -8.517 -9.253 -4.028 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.088 -8.425 -4.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -8.345 -9.394 -6.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.824 -10.140 -6.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -8.208 -10.943 -5.743 1.00 0.00 H new ATOM 425 N TYR A 31 -1.578 -8.993 -1.311 1.00 0.00 N ATOM 426 CA TYR A 31 -0.364 -8.189 -1.242 1.00 0.00 C ATOM 427 C TYR A 31 -0.111 -7.468 -2.562 1.00 0.00 C ATOM 428 O TYR A 31 -0.288 -6.254 -2.662 1.00 0.00 O ATOM 429 CB TYR A 31 0.837 -9.069 -0.891 1.00 0.00 C ATOM 430 CG TYR A 31 0.625 -9.918 0.343 1.00 0.00 C ATOM 431 CD1 TYR A 31 0.682 -9.359 1.613 1.00 0.00 C ATOM 432 CD2 TYR A 31 0.370 -11.280 0.238 1.00 0.00 C ATOM 433 CE1 TYR A 31 0.490 -10.130 2.743 1.00 0.00 C ATOM 434 CE2 TYR A 31 0.175 -12.059 1.362 1.00 0.00 C ATOM 435 CZ TYR A 31 0.236 -11.480 2.612 1.00 0.00 C ATOM 436 OH TYR A 31 0.045 -12.253 3.734 1.00 0.00 O ATOM 0 H TYR A 31 -1.535 -9.867 -0.787 1.00 0.00 H new ATOM 0 HA TYR A 31 -0.499 -7.441 -0.461 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.059 -9.720 -1.736 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.710 -8.434 -0.740 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.880 -8.303 1.719 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.323 -11.737 -0.739 1.00 0.00 H new ATOM 0 HE1 TYR A 31 0.538 -9.679 3.723 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -0.024 -13.116 1.262 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.124 -13.181 3.467 1.00 0.00 H new ATOM 446 N GLU A 32 0.302 -8.226 -3.573 1.00 0.00 N ATOM 447 CA GLU A 32 0.579 -7.660 -4.888 1.00 0.00 C ATOM 448 C GLU A 32 -0.393 -6.528 -5.209 1.00 0.00 C ATOM 449 O GLU A 32 0.020 -5.424 -5.565 1.00 0.00 O ATOM 450 CB GLU A 32 0.489 -8.744 -5.964 1.00 0.00 C ATOM 451 CG GLU A 32 0.822 -8.245 -7.360 1.00 0.00 C ATOM 452 CD GLU A 32 0.246 -9.130 -8.449 1.00 0.00 C ATOM 453 OE1 GLU A 32 -0.122 -10.283 -8.144 1.00 0.00 O ATOM 454 OE2 GLU A 32 0.162 -8.667 -9.606 1.00 0.00 O ATOM 0 H GLU A 32 0.452 -9.233 -3.507 1.00 0.00 H new ATOM 0 HA GLU A 32 1.591 -7.255 -4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.168 -9.557 -5.706 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -0.519 -9.159 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 32 0.439 -7.232 -7.480 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.905 -8.193 -7.474 1.00 0.00 H new ATOM 461 N GLU A 33 -1.685 -6.810 -5.080 1.00 0.00 N ATOM 462 CA GLU A 33 -2.715 -5.816 -5.357 1.00 0.00 C ATOM 463 C GLU A 33 -2.500 -4.561 -4.517 1.00 0.00 C ATOM 464 O GLU A 33 -2.610 -3.441 -5.016 1.00 0.00 O ATOM 465 CB GLU A 33 -4.104 -6.397 -5.079 1.00 0.00 C ATOM 466 CG GLU A 33 -4.450 -7.591 -5.952 1.00 0.00 C ATOM 467 CD GLU A 33 -4.714 -7.202 -7.394 1.00 0.00 C ATOM 468 OE1 GLU A 33 -3.812 -6.613 -8.025 1.00 0.00 O ATOM 469 OE2 GLU A 33 -5.823 -7.489 -7.892 1.00 0.00 O ATOM 0 H GLU A 33 -2.044 -7.718 -4.786 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.647 -5.544 -6.410 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.161 -6.694 -4.032 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.851 -5.618 -5.230 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.632 -8.311 -5.918 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.331 -8.090 -5.547 1.00 0.00 H new ATOM 476 N ALA A 34 -2.191 -4.756 -3.240 1.00 0.00 N ATOM 477 CA ALA A 34 -1.959 -3.640 -2.331 1.00 0.00 C ATOM 478 C ALA A 34 -0.698 -2.874 -2.714 1.00 0.00 C ATOM 479 O ALA A 34 -0.717 -1.648 -2.831 1.00 0.00 O ATOM 480 CB ALA A 34 -1.859 -4.140 -0.897 1.00 0.00 C ATOM 0 H ALA A 34 -2.095 -5.676 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.805 -2.958 -2.409 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.686 -3.296 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.788 -4.638 -0.620 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.031 -4.844 -0.814 1.00 0.00 H new ATOM 486 N ILE A 35 0.396 -3.602 -2.909 1.00 0.00 N ATOM 487 CA ILE A 35 1.666 -2.990 -3.280 1.00 0.00 C ATOM 488 C ILE A 35 1.454 -1.823 -4.239 1.00 0.00 C ATOM 489 O ILE A 35 1.730 -0.672 -3.903 1.00 0.00 O ATOM 490 CB ILE A 35 2.614 -4.012 -3.933 1.00 0.00 C ATOM 491 CG1 ILE A 35 2.935 -5.142 -2.953 1.00 0.00 C ATOM 492 CG2 ILE A 35 3.891 -3.327 -4.398 1.00 0.00 C ATOM 493 CD1 ILE A 35 3.674 -6.300 -3.587 1.00 0.00 C ATOM 0 H ILE A 35 0.429 -4.617 -2.816 1.00 0.00 H new ATOM 0 HA ILE A 35 2.120 -2.623 -2.360 1.00 0.00 H new ATOM 0 HB ILE A 35 2.118 -4.442 -4.803 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.535 -4.743 -2.135 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.006 -5.509 -2.517 1.00 0.00 H new ATOM 0 HG21 ILE A 35 4.552 -4.062 -4.858 1.00 0.00 H new ATOM 0 HG22 ILE A 35 3.645 -2.555 -5.127 1.00 0.00 H new ATOM 0 HG23 ILE A 35 4.392 -2.873 -3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 35 3.868 -7.064 -2.834 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.067 -6.725 -4.387 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.620 -5.947 -3.998 1.00 0.00 H new ATOM 505 N SER A 36 0.960 -2.130 -5.435 1.00 0.00 N ATOM 506 CA SER A 36 0.712 -1.108 -6.445 1.00 0.00 C ATOM 507 C SER A 36 0.098 0.139 -5.816 1.00 0.00 C ATOM 508 O SER A 36 0.599 1.250 -5.996 1.00 0.00 O ATOM 509 CB SER A 36 -0.212 -1.652 -7.535 1.00 0.00 C ATOM 510 OG SER A 36 -1.377 -2.233 -6.974 1.00 0.00 O ATOM 0 H SER A 36 0.724 -3.078 -5.728 1.00 0.00 H new ATOM 0 HA SER A 36 1.667 -0.835 -6.893 1.00 0.00 H new ATOM 0 HB2 SER A 36 -0.494 -0.846 -8.212 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.319 -2.396 -8.128 1.00 0.00 H new ATOM 0 HG SER A 36 -1.160 -2.624 -6.102 1.00 0.00 H new ATOM 516 N CYS A 37 -0.991 -0.053 -5.079 1.00 0.00 N ATOM 517 CA CYS A 37 -1.676 1.055 -4.424 1.00 0.00 C ATOM 518 C CYS A 37 -0.684 1.946 -3.683 1.00 0.00 C ATOM 519 O CYS A 37 -0.780 3.173 -3.729 1.00 0.00 O ATOM 520 CB CYS A 37 -2.730 0.526 -3.450 1.00 0.00 C ATOM 521 SG CYS A 37 -3.981 1.745 -2.983 1.00 0.00 S ATOM 0 H CYS A 37 -1.418 -0.966 -4.920 1.00 0.00 H new ATOM 0 HA CYS A 37 -2.168 1.651 -5.193 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.226 -0.334 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -2.231 0.170 -2.549 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.220 1.655 -1.708 1.00 0.00 H new ATOM 527 N HIS A 38 0.269 1.321 -2.999 1.00 0.00 N ATOM 528 CA HIS A 38 1.279 2.057 -2.247 1.00 0.00 C ATOM 529 C HIS A 38 2.212 2.813 -3.187 1.00 0.00 C ATOM 530 O HIS A 38 2.571 3.963 -2.929 1.00 0.00 O ATOM 531 CB HIS A 38 2.086 1.103 -1.366 1.00 0.00 C ATOM 532 CG HIS A 38 1.384 0.715 -0.102 1.00 0.00 C ATOM 533 ND1 HIS A 38 0.720 1.621 0.698 1.00 0.00 N ATOM 534 CD2 HIS A 38 1.243 -0.489 0.500 1.00 0.00 C ATOM 535 CE1 HIS A 38 0.202 0.991 1.738 1.00 0.00 C ATOM 536 NE2 HIS A 38 0.505 -0.291 1.641 1.00 0.00 N ATOM 0 H HIS A 38 0.363 0.307 -2.950 1.00 0.00 H new ATOM 0 HA HIS A 38 0.768 2.780 -1.612 1.00 0.00 H new ATOM 0 HB2 HIS A 38 2.315 0.202 -1.935 1.00 0.00 H new ATOM 0 HB3 HIS A 38 3.037 1.572 -1.114 1.00 0.00 H new ATOM 0 HD1 HIS A 38 0.641 2.621 0.516 1.00 0.00 H new ATOM 0 HD2 HIS A 38 1.638 -1.431 0.148 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -0.371 1.447 2.532 1.00 0.00 H new ATOM 545 N ARG A 39 2.603 2.161 -4.277 1.00 0.00 N ATOM 546 CA ARG A 39 3.496 2.771 -5.254 1.00 0.00 C ATOM 547 C ARG A 39 2.839 3.983 -5.909 1.00 0.00 C ATOM 548 O ARG A 39 3.461 5.035 -6.056 1.00 0.00 O ATOM 549 CB ARG A 39 3.889 1.751 -6.324 1.00 0.00 C ATOM 550 CG ARG A 39 4.635 0.547 -5.773 1.00 0.00 C ATOM 551 CD ARG A 39 5.199 -0.318 -6.889 1.00 0.00 C ATOM 552 NE ARG A 39 6.540 0.105 -7.285 1.00 0.00 N ATOM 553 CZ ARG A 39 7.626 -0.115 -6.553 1.00 0.00 C ATOM 554 NH1 ARG A 39 7.531 -0.752 -5.394 1.00 0.00 N ATOM 555 NH2 ARG A 39 8.812 0.301 -6.981 1.00 0.00 N ATOM 0 H ARG A 39 2.315 1.210 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 39 4.393 3.103 -4.731 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.989 1.408 -6.835 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.512 2.243 -7.071 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.446 0.884 -5.128 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.962 -0.048 -5.155 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.228 -1.357 -6.562 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.535 -0.274 -7.752 1.00 0.00 H new ATOM 0 HE ARG A 39 6.648 0.596 -8.172 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.622 -1.075 -5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.367 -0.919 -4.834 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.890 0.790 -7.873 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.646 0.132 -6.418 1.00 0.00 H new ATOM 569 N LYS A 40 1.579 3.827 -6.299 1.00 0.00 N ATOM 570 CA LYS A 40 0.836 4.908 -6.937 1.00 0.00 C ATOM 571 C LYS A 40 0.776 6.135 -6.033 1.00 0.00 C ATOM 572 O LYS A 40 1.013 7.257 -6.478 1.00 0.00 O ATOM 573 CB LYS A 40 -0.581 4.445 -7.283 1.00 0.00 C ATOM 574 CG LYS A 40 -0.663 3.647 -8.573 1.00 0.00 C ATOM 575 CD LYS A 40 -1.871 2.726 -8.583 1.00 0.00 C ATOM 576 CE LYS A 40 -1.867 1.815 -9.801 1.00 0.00 C ATOM 577 NZ LYS A 40 -2.209 2.553 -11.048 1.00 0.00 N ATOM 0 H LYS A 40 1.050 2.962 -6.185 1.00 0.00 H new ATOM 0 HA LYS A 40 1.357 5.181 -7.855 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.965 3.837 -6.464 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.230 5.317 -7.364 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.718 4.329 -9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 40 0.246 3.058 -8.696 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.877 2.122 -7.676 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -2.784 3.321 -8.576 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.884 1.357 -9.908 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.581 1.005 -9.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.195 1.897 -11.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.158 2.969 -10.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.513 3.310 -11.206 1.00 0.00 H new ATOM 591 N ALA A 41 0.459 5.912 -4.762 1.00 0.00 N ATOM 592 CA ALA A 41 0.371 6.999 -3.795 1.00 0.00 C ATOM 593 C ALA A 41 1.703 7.729 -3.667 1.00 0.00 C ATOM 594 O ALA A 41 1.785 8.938 -3.890 1.00 0.00 O ATOM 595 CB ALA A 41 -0.073 6.465 -2.440 1.00 0.00 C ATOM 0 H ALA A 41 0.259 4.988 -4.378 1.00 0.00 H new ATOM 0 HA ALA A 41 -0.371 7.712 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.135 7.287 -1.727 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.052 5.995 -2.537 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.649 5.730 -2.084 1.00 0.00 H new ATOM 601 N THR A 42 2.747 6.989 -3.307 1.00 0.00 N ATOM 602 CA THR A 42 4.075 7.566 -3.148 1.00 0.00 C ATOM 603 C THR A 42 4.415 8.493 -4.310 1.00 0.00 C ATOM 604 O THR A 42 4.815 9.640 -4.108 1.00 0.00 O ATOM 605 CB THR A 42 5.155 6.473 -3.046 1.00 0.00 C ATOM 606 OG1 THR A 42 5.080 5.603 -4.181 1.00 0.00 O ATOM 607 CG2 THR A 42 4.987 5.663 -1.769 1.00 0.00 C ATOM 0 H THR A 42 2.698 5.988 -3.120 1.00 0.00 H new ATOM 0 HA THR A 42 4.060 8.139 -2.221 1.00 0.00 H new ATOM 0 HB THR A 42 6.131 6.959 -3.024 1.00 0.00 H new ATOM 0 HG1 THR A 42 4.165 5.602 -4.533 1.00 0.00 H new ATOM 0 HG21 THR A 42 5.761 4.897 -1.719 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.073 6.323 -0.906 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.006 5.188 -1.766 1.00 0.00 H new ATOM 615 N THR A 43 4.252 7.989 -5.530 1.00 0.00 N ATOM 616 CA THR A 43 4.541 8.771 -6.725 1.00 0.00 C ATOM 617 C THR A 43 3.716 10.052 -6.757 1.00 0.00 C ATOM 618 O THR A 43 4.258 11.149 -6.898 1.00 0.00 O ATOM 619 CB THR A 43 4.264 7.963 -8.006 1.00 0.00 C ATOM 620 OG1 THR A 43 5.032 6.755 -7.999 1.00 0.00 O ATOM 621 CG2 THR A 43 4.603 8.778 -9.245 1.00 0.00 C ATOM 0 H THR A 43 3.921 7.042 -5.716 1.00 0.00 H new ATOM 0 HA THR A 43 5.600 9.025 -6.687 1.00 0.00 H new ATOM 0 HB THR A 43 3.202 7.718 -8.031 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.617 6.107 -7.393 1.00 0.00 H new ATOM 0 HG21 THR A 43 4.399 8.186 -10.137 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.995 9.683 -9.263 1.00 0.00 H new ATOM 0 HG23 THR A 43 5.658 9.050 -9.224 1.00 0.00 H new ATOM 629 N TYR A 44 2.402 9.907 -6.624 1.00 0.00 N ATOM 630 CA TYR A 44 1.501 11.053 -6.640 1.00 0.00 C ATOM 631 C TYR A 44 1.954 12.116 -5.643 1.00 0.00 C ATOM 632 O TYR A 44 1.954 13.310 -5.947 1.00 0.00 O ATOM 633 CB TYR A 44 0.073 10.611 -6.316 1.00 0.00 C ATOM 634 CG TYR A 44 -0.941 11.729 -6.397 1.00 0.00 C ATOM 635 CD1 TYR A 44 -0.863 12.692 -7.396 1.00 0.00 C ATOM 636 CD2 TYR A 44 -1.976 11.824 -5.475 1.00 0.00 C ATOM 637 CE1 TYR A 44 -1.787 13.717 -7.474 1.00 0.00 C ATOM 638 CE2 TYR A 44 -2.905 12.844 -5.546 1.00 0.00 C ATOM 639 CZ TYR A 44 -2.806 13.788 -6.547 1.00 0.00 C ATOM 640 OH TYR A 44 -3.728 14.807 -6.621 1.00 0.00 O ATOM 0 H TYR A 44 1.937 9.007 -6.504 1.00 0.00 H new ATOM 0 HA TYR A 44 1.522 11.485 -7.640 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.218 9.818 -7.005 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.052 10.185 -5.313 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.067 12.639 -8.124 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.056 11.088 -4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -1.712 14.458 -8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.704 12.902 -4.822 1.00 0.00 H new ATOM 0 HH TYR A 44 -3.839 15.081 -7.555 1.00 0.00 H new ATOM 650 N LEU A 45 2.341 11.674 -4.452 1.00 0.00 N ATOM 651 CA LEU A 45 2.798 12.585 -3.409 1.00 0.00 C ATOM 652 C LEU A 45 4.071 13.308 -3.836 1.00 0.00 C ATOM 653 O LEU A 45 4.111 14.537 -3.892 1.00 0.00 O ATOM 654 CB LEU A 45 3.045 11.820 -2.107 1.00 0.00 C ATOM 655 CG LEU A 45 1.807 11.233 -1.429 1.00 0.00 C ATOM 656 CD1 LEU A 45 2.211 10.290 -0.305 1.00 0.00 C ATOM 657 CD2 LEU A 45 0.912 12.343 -0.899 1.00 0.00 C ATOM 0 H LEU A 45 2.347 10.690 -4.184 1.00 0.00 H new ATOM 0 HA LEU A 45 2.018 13.328 -3.244 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.742 11.007 -2.313 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.537 12.491 -1.403 1.00 0.00 H new ATOM 0 HG LEU A 45 1.246 10.664 -2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.317 9.882 0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.811 9.476 -0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.795 10.836 0.436 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.036 11.906 -0.420 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.464 12.939 -0.172 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.594 12.980 -1.725 1.00 0.00 H new ATOM 669 N SER A 46 5.110 12.536 -4.140 1.00 0.00 N ATOM 670 CA SER A 46 6.386 13.103 -4.562 1.00 0.00 C ATOM 671 C SER A 46 6.180 14.158 -5.645 1.00 0.00 C ATOM 672 O SER A 46 7.044 15.004 -5.873 1.00 0.00 O ATOM 673 CB SER A 46 7.312 12.000 -5.078 1.00 0.00 C ATOM 674 OG SER A 46 7.895 11.280 -4.005 1.00 0.00 O ATOM 0 H SER A 46 5.093 11.517 -4.102 1.00 0.00 H new ATOM 0 HA SER A 46 6.847 13.580 -3.697 1.00 0.00 H new ATOM 0 HB2 SER A 46 6.750 11.317 -5.715 1.00 0.00 H new ATOM 0 HB3 SER A 46 8.097 12.438 -5.695 1.00 0.00 H new ATOM 0 HG SER A 46 8.481 10.580 -4.361 1.00 0.00 H new ATOM 680 N GLU A 47 5.030 14.099 -6.308 1.00 0.00 N ATOM 681 CA GLU A 47 4.711 15.049 -7.368 1.00 0.00 C ATOM 682 C GLU A 47 4.047 16.299 -6.796 1.00 0.00 C ATOM 683 O GLU A 47 4.342 17.418 -7.216 1.00 0.00 O ATOM 684 CB GLU A 47 3.792 14.400 -8.405 1.00 0.00 C ATOM 685 CG GLU A 47 4.541 13.706 -9.531 1.00 0.00 C ATOM 686 CD GLU A 47 5.485 14.638 -10.265 1.00 0.00 C ATOM 687 OE1 GLU A 47 5.193 15.851 -10.325 1.00 0.00 O ATOM 688 OE2 GLU A 47 6.516 14.155 -10.779 1.00 0.00 O ATOM 0 H GLU A 47 4.304 13.405 -6.131 1.00 0.00 H new ATOM 0 HA GLU A 47 5.643 15.342 -7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.150 13.675 -7.906 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.140 15.164 -8.830 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.107 12.868 -9.124 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.823 13.291 -10.238 1.00 0.00 H new ATOM 695 N ALA A 48 3.150 16.099 -5.836 1.00 0.00 N ATOM 696 CA ALA A 48 2.446 17.209 -5.206 1.00 0.00 C ATOM 697 C ALA A 48 3.426 18.221 -4.622 1.00 0.00 C ATOM 698 O ALA A 48 3.340 19.416 -4.904 1.00 0.00 O ATOM 699 CB ALA A 48 1.510 16.693 -4.123 1.00 0.00 C ATOM 0 H ALA A 48 2.894 15.179 -5.478 1.00 0.00 H new ATOM 0 HA ALA A 48 1.856 17.714 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 48 0.991 17.532 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 48 0.781 16.014 -4.565 1.00 0.00 H new ATOM 0 HB3 ALA A 48 2.087 16.162 -3.366 1.00 0.00 H new ATOM 705 N MET A 49 4.357 17.734 -3.808 1.00 0.00 N ATOM 706 CA MET A 49 5.354 18.597 -3.185 1.00 0.00 C ATOM 707 C MET A 49 6.111 19.401 -4.238 1.00 0.00 C ATOM 708 O MET A 49 6.481 20.552 -4.007 1.00 0.00 O ATOM 709 CB MET A 49 6.335 17.764 -2.358 1.00 0.00 C ATOM 710 CG MET A 49 6.934 16.595 -3.123 1.00 0.00 C ATOM 711 SD MET A 49 7.837 15.456 -2.055 1.00 0.00 S ATOM 712 CE MET A 49 6.676 15.267 -0.704 1.00 0.00 C ATOM 0 H MET A 49 4.442 16.747 -3.565 1.00 0.00 H new ATOM 0 HA MET A 49 4.835 19.293 -2.526 1.00 0.00 H new ATOM 0 HB2 MET A 49 7.141 18.409 -2.007 1.00 0.00 H new ATOM 0 HB3 MET A 49 5.822 17.385 -1.474 1.00 0.00 H new ATOM 0 HG2 MET A 49 6.138 16.054 -3.634 1.00 0.00 H new ATOM 0 HG3 MET A 49 7.606 16.975 -3.893 1.00 0.00 H new ATOM 0 HE1 MET A 49 6.836 14.304 -0.219 1.00 0.00 H new ATOM 0 HE2 MET A 49 6.827 16.068 0.020 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.658 15.314 -1.090 1.00 0.00 H new ATOM 722 N LYS A 50 6.339 18.786 -5.393 1.00 0.00 N ATOM 723 CA LYS A 50 7.052 19.444 -6.482 1.00 0.00 C ATOM 724 C LYS A 50 6.211 20.566 -7.083 1.00 0.00 C ATOM 725 O LYS A 50 6.719 21.406 -7.827 1.00 0.00 O ATOM 726 CB LYS A 50 7.416 18.428 -7.568 1.00 0.00 C ATOM 727 CG LYS A 50 8.585 17.532 -7.195 1.00 0.00 C ATOM 728 CD LYS A 50 8.852 16.489 -8.267 1.00 0.00 C ATOM 729 CE LYS A 50 10.144 15.733 -7.999 1.00 0.00 C ATOM 730 NZ LYS A 50 11.344 16.584 -8.229 1.00 0.00 N ATOM 0 H LYS A 50 6.041 17.833 -5.600 1.00 0.00 H new ATOM 0 HA LYS A 50 7.966 19.876 -6.076 1.00 0.00 H new ATOM 0 HB2 LYS A 50 6.546 17.807 -7.779 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.657 18.962 -8.487 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.478 18.140 -7.047 1.00 0.00 H new ATOM 0 HG3 LYS A 50 8.376 17.036 -6.247 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.020 15.786 -8.308 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.908 16.974 -9.242 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.147 15.372 -6.970 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.192 14.856 -8.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.196 15.988 -8.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.254 17.070 -9.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.421 17.289 -7.468 1.00 0.00 H new ATOM 744 N LEU A 51 4.924 20.575 -6.755 1.00 0.00 N ATOM 745 CA LEU A 51 4.013 21.596 -7.261 1.00 0.00 C ATOM 746 C LEU A 51 3.804 22.699 -6.228 1.00 0.00 C ATOM 747 O LEU A 51 4.057 23.874 -6.498 1.00 0.00 O ATOM 748 CB LEU A 51 2.669 20.968 -7.633 1.00 0.00 C ATOM 749 CG LEU A 51 1.898 21.653 -8.762 1.00 0.00 C ATOM 750 CD1 LEU A 51 0.958 20.669 -9.441 1.00 0.00 C ATOM 751 CD2 LEU A 51 1.125 22.851 -8.229 1.00 0.00 C ATOM 0 H LEU A 51 4.488 19.887 -6.141 1.00 0.00 H new ATOM 0 HA LEU A 51 4.459 22.038 -8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 51 2.842 19.930 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.038 20.956 -6.744 1.00 0.00 H new ATOM 0 HG LEU A 51 2.615 22.008 -9.502 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.418 21.175 -10.242 1.00 0.00 H new ATOM 0 HD12 LEU A 51 1.535 19.843 -9.858 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.246 20.283 -8.711 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.582 23.327 -9.046 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.418 22.519 -7.469 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.820 23.567 -7.790 1.00 0.00 H new ATOM 763 N THR A 52 3.341 22.313 -5.043 1.00 0.00 N ATOM 764 CA THR A 52 3.099 23.269 -3.969 1.00 0.00 C ATOM 765 C THR A 52 4.319 24.152 -3.733 1.00 0.00 C ATOM 766 O THR A 52 5.420 23.655 -3.502 1.00 0.00 O ATOM 767 CB THR A 52 2.734 22.555 -2.654 1.00 0.00 C ATOM 768 OG1 THR A 52 2.031 23.453 -1.788 1.00 0.00 O ATOM 769 CG2 THR A 52 3.982 22.040 -1.953 1.00 0.00 C ATOM 0 H THR A 52 3.126 21.345 -4.803 1.00 0.00 H new ATOM 0 HA THR A 52 2.260 23.890 -4.282 1.00 0.00 H new ATOM 0 HB THR A 52 2.094 21.706 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.409 22.946 -1.225 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.699 21.540 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.500 21.335 -2.603 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.643 22.876 -1.726 1.00 0.00 H new ATOM 777 N GLU A 53 4.114 25.464 -3.793 1.00 0.00 N ATOM 778 CA GLU A 53 5.199 26.416 -3.585 1.00 0.00 C ATOM 779 C GLU A 53 5.498 26.584 -2.099 1.00 0.00 C ATOM 780 O GLU A 53 6.648 26.778 -1.704 1.00 0.00 O ATOM 781 CB GLU A 53 4.844 27.771 -4.202 1.00 0.00 C ATOM 782 CG GLU A 53 5.981 28.777 -4.157 1.00 0.00 C ATOM 783 CD GLU A 53 7.290 28.201 -4.662 1.00 0.00 C ATOM 784 OE1 GLU A 53 7.486 28.169 -5.896 1.00 0.00 O ATOM 785 OE2 GLU A 53 8.117 27.783 -3.826 1.00 0.00 O ATOM 0 H GLU A 53 3.208 25.892 -3.984 1.00 0.00 H new ATOM 0 HA GLU A 53 6.090 26.024 -4.075 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.544 27.621 -5.239 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.983 28.185 -3.678 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.715 29.647 -4.758 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.113 29.125 -3.133 1.00 0.00 H new ATOM 792 N SER A 54 4.455 26.508 -1.279 1.00 0.00 N ATOM 793 CA SER A 54 4.605 26.656 0.164 1.00 0.00 C ATOM 794 C SER A 54 5.545 25.594 0.725 1.00 0.00 C ATOM 795 O SER A 54 5.717 24.528 0.134 1.00 0.00 O ATOM 796 CB SER A 54 3.241 26.561 0.852 1.00 0.00 C ATOM 797 OG SER A 54 3.336 26.909 2.223 1.00 0.00 O ATOM 0 H SER A 54 3.497 26.345 -1.589 1.00 0.00 H new ATOM 0 HA SER A 54 5.036 27.638 0.361 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.532 27.222 0.354 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.852 25.547 0.757 1.00 0.00 H new ATOM 0 HG SER A 54 2.451 26.842 2.640 1.00 0.00 H new ATOM 803 N GLU A 55 6.151 25.894 1.869 1.00 0.00 N ATOM 804 CA GLU A 55 7.075 24.965 2.510 1.00 0.00 C ATOM 805 C GLU A 55 6.319 23.924 3.331 1.00 0.00 C ATOM 806 O GLU A 55 6.367 22.731 3.034 1.00 0.00 O ATOM 807 CB GLU A 55 8.056 25.723 3.406 1.00 0.00 C ATOM 808 CG GLU A 55 9.240 24.885 3.859 1.00 0.00 C ATOM 809 CD GLU A 55 9.969 25.495 5.040 1.00 0.00 C ATOM 810 OE1 GLU A 55 9.290 25.944 5.988 1.00 0.00 O ATOM 811 OE2 GLU A 55 11.217 25.525 5.017 1.00 0.00 O ATOM 0 H GLU A 55 6.019 26.772 2.371 1.00 0.00 H new ATOM 0 HA GLU A 55 7.632 24.450 1.728 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.425 26.597 2.869 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.524 26.090 4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.893 23.887 4.127 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.936 24.768 3.028 1.00 0.00 H new ATOM 818 N GLN A 56 5.622 24.387 4.364 1.00 0.00 N ATOM 819 CA GLN A 56 4.857 23.496 5.229 1.00 0.00 C ATOM 820 C GLN A 56 4.179 22.398 4.416 1.00 0.00 C ATOM 821 O GLN A 56 4.373 21.211 4.676 1.00 0.00 O ATOM 822 CB GLN A 56 3.809 24.288 6.012 1.00 0.00 C ATOM 823 CG GLN A 56 4.403 25.190 7.083 1.00 0.00 C ATOM 824 CD GLN A 56 4.638 24.464 8.393 1.00 0.00 C ATOM 825 OE1 GLN A 56 5.777 24.307 8.832 1.00 0.00 O ATOM 826 NE2 GLN A 56 3.558 24.018 9.024 1.00 0.00 N ATOM 0 H GLN A 56 5.571 25.373 4.622 1.00 0.00 H new ATOM 0 HA GLN A 56 5.548 23.029 5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 56 3.231 24.896 5.316 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.114 23.591 6.480 1.00 0.00 H new ATOM 0 HG2 GLN A 56 5.347 25.600 6.725 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.734 26.033 7.254 1.00 0.00 H new ATOM 0 HE21 GLN A 56 2.633 24.171 8.622 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.653 23.522 9.910 1.00 0.00 H new ATOM 835 N ALA A 57 3.384 22.803 3.431 1.00 0.00 N ATOM 836 CA ALA A 57 2.679 21.854 2.580 1.00 0.00 C ATOM 837 C ALA A 57 3.599 20.719 2.143 1.00 0.00 C ATOM 838 O ALA A 57 3.234 19.545 2.219 1.00 0.00 O ATOM 839 CB ALA A 57 2.100 22.563 1.365 1.00 0.00 C ATOM 0 H ALA A 57 3.212 23.782 3.203 1.00 0.00 H new ATOM 0 HA ALA A 57 1.862 21.423 3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 57 1.576 21.841 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 57 1.402 23.334 1.692 1.00 0.00 H new ATOM 0 HB3 ALA A 57 2.906 23.022 0.793 1.00 0.00 H new ATOM 845 N HIS A 58 4.795 21.076 1.684 1.00 0.00 N ATOM 846 CA HIS A 58 5.768 20.087 1.235 1.00 0.00 C ATOM 847 C HIS A 58 6.129 19.127 2.365 1.00 0.00 C ATOM 848 O HIS A 58 6.362 17.940 2.134 1.00 0.00 O ATOM 849 CB HIS A 58 7.028 20.780 0.716 1.00 0.00 C ATOM 850 CG HIS A 58 8.175 19.844 0.489 1.00 0.00 C ATOM 851 ND1 HIS A 58 8.765 19.116 1.501 1.00 0.00 N ATOM 852 CD2 HIS A 58 8.841 19.518 -0.644 1.00 0.00 C ATOM 853 CE1 HIS A 58 9.744 18.384 1.000 1.00 0.00 C ATOM 854 NE2 HIS A 58 9.811 18.609 -0.300 1.00 0.00 N ATOM 0 H HIS A 58 5.113 22.043 1.613 1.00 0.00 H new ATOM 0 HA HIS A 58 5.318 19.513 0.425 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.794 21.289 -0.219 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.331 21.547 1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 58 8.646 19.902 -1.634 1.00 0.00 H new ATOM 0 HE1 HIS A 58 10.382 17.715 1.559 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.475 18.178 -0.943 1.00 0.00 H new ATOM 863 N LEU A 59 6.173 19.649 3.586 1.00 0.00 N ATOM 864 CA LEU A 59 6.506 18.839 4.752 1.00 0.00 C ATOM 865 C LEU A 59 5.442 17.773 4.997 1.00 0.00 C ATOM 866 O LEU A 59 5.733 16.577 4.986 1.00 0.00 O ATOM 867 CB LEU A 59 6.650 19.726 5.990 1.00 0.00 C ATOM 868 CG LEU A 59 7.458 21.011 5.804 1.00 0.00 C ATOM 869 CD1 LEU A 59 7.465 21.827 7.088 1.00 0.00 C ATOM 870 CD2 LEU A 59 8.879 20.689 5.367 1.00 0.00 C ATOM 0 H LEU A 59 5.982 20.629 3.794 1.00 0.00 H new ATOM 0 HA LEU A 59 7.456 18.340 4.558 1.00 0.00 H new ATOM 0 HB2 LEU A 59 5.653 19.995 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 59 7.116 19.139 6.781 1.00 0.00 H new ATOM 0 HG LEU A 59 6.985 21.605 5.022 1.00 0.00 H new ATOM 0 HD11 LEU A 59 8.045 22.738 6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 59 6.442 22.089 7.358 1.00 0.00 H new ATOM 0 HD13 LEU A 59 7.913 21.240 7.890 1.00 0.00 H new ATOM 0 HD21 LEU A 59 9.439 21.615 5.240 1.00 0.00 H new ATOM 0 HD22 LEU A 59 9.363 20.074 6.126 1.00 0.00 H new ATOM 0 HD23 LEU A 59 8.855 20.147 4.422 1.00 0.00 H new ATOM 882 N SER A 60 4.208 18.216 5.217 1.00 0.00 N ATOM 883 CA SER A 60 3.101 17.301 5.466 1.00 0.00 C ATOM 884 C SER A 60 3.149 16.116 4.506 1.00 0.00 C ATOM 885 O SER A 60 2.610 15.046 4.793 1.00 0.00 O ATOM 886 CB SER A 60 1.765 18.033 5.324 1.00 0.00 C ATOM 887 OG SER A 60 1.427 18.714 6.520 1.00 0.00 O ATOM 0 H SER A 60 3.950 19.203 5.228 1.00 0.00 H new ATOM 0 HA SER A 60 3.195 16.925 6.485 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.822 18.745 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.980 17.319 5.074 1.00 0.00 H new ATOM 0 HG SER A 60 0.570 19.175 6.403 1.00 0.00 H new ATOM 893 N LEU A 61 3.799 16.314 3.364 1.00 0.00 N ATOM 894 CA LEU A 61 3.919 15.262 2.360 1.00 0.00 C ATOM 895 C LEU A 61 5.111 14.358 2.657 1.00 0.00 C ATOM 896 O LEU A 61 4.983 13.135 2.680 1.00 0.00 O ATOM 897 CB LEU A 61 4.064 15.875 0.966 1.00 0.00 C ATOM 898 CG LEU A 61 2.932 16.801 0.518 1.00 0.00 C ATOM 899 CD1 LEU A 61 3.321 17.544 -0.750 1.00 0.00 C ATOM 900 CD2 LEU A 61 1.650 16.010 0.303 1.00 0.00 C ATOM 0 H LEU A 61 4.251 17.193 3.110 1.00 0.00 H new ATOM 0 HA LEU A 61 3.012 14.658 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.999 16.435 0.933 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.152 15.065 0.242 1.00 0.00 H new ATOM 0 HG LEU A 61 2.755 17.535 1.305 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.504 18.198 -1.054 1.00 0.00 H new ATOM 0 HD12 LEU A 61 4.213 18.141 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.526 16.826 -1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.855 16.685 -0.015 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.813 15.254 -0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.362 15.524 1.235 1.00 0.00 H new ATOM 912 N GLU A 62 6.268 14.971 2.887 1.00 0.00 N ATOM 913 CA GLU A 62 7.483 14.220 3.185 1.00 0.00 C ATOM 914 C GLU A 62 7.282 13.321 4.402 1.00 0.00 C ATOM 915 O GLU A 62 8.022 12.358 4.605 1.00 0.00 O ATOM 916 CB GLU A 62 8.652 15.176 3.431 1.00 0.00 C ATOM 917 CG GLU A 62 8.755 15.654 4.869 1.00 0.00 C ATOM 918 CD GLU A 62 10.032 16.427 5.137 1.00 0.00 C ATOM 919 OE1 GLU A 62 11.047 15.791 5.490 1.00 0.00 O ATOM 920 OE2 GLU A 62 10.017 17.667 4.993 1.00 0.00 O ATOM 0 H GLU A 62 6.390 15.984 2.873 1.00 0.00 H new ATOM 0 HA GLU A 62 7.712 13.591 2.324 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.582 14.678 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.547 16.041 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 62 7.897 16.285 5.100 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.708 14.795 5.538 1.00 0.00 H new ATOM 927 N LEU A 63 6.277 13.643 5.208 1.00 0.00 N ATOM 928 CA LEU A 63 5.978 12.865 6.406 1.00 0.00 C ATOM 929 C LEU A 63 4.970 11.761 6.101 1.00 0.00 C ATOM 930 O LEU A 63 5.097 10.640 6.593 1.00 0.00 O ATOM 931 CB LEU A 63 5.434 13.777 7.507 1.00 0.00 C ATOM 932 CG LEU A 63 6.477 14.555 8.310 1.00 0.00 C ATOM 933 CD1 LEU A 63 5.801 15.528 9.263 1.00 0.00 C ATOM 934 CD2 LEU A 63 7.382 13.599 9.075 1.00 0.00 C ATOM 0 H LEU A 63 5.655 14.437 5.055 1.00 0.00 H new ATOM 0 HA LEU A 63 6.903 12.402 6.749 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.747 14.491 7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.851 13.170 8.199 1.00 0.00 H new ATOM 0 HG LEU A 63 7.090 15.127 7.614 1.00 0.00 H new ATOM 0 HD11 LEU A 63 6.559 16.072 9.826 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.195 16.233 8.694 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.163 14.977 9.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.118 14.170 9.641 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.782 13.000 9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.894 12.942 8.372 1.00 0.00 H new ATOM 946 N GLN A 64 3.973 12.086 5.285 1.00 0.00 N ATOM 947 CA GLN A 64 2.945 11.121 4.913 1.00 0.00 C ATOM 948 C GLN A 64 3.536 9.992 4.075 1.00 0.00 C ATOM 949 O GLN A 64 3.198 8.823 4.263 1.00 0.00 O ATOM 950 CB GLN A 64 1.821 11.813 4.139 1.00 0.00 C ATOM 951 CG GLN A 64 0.499 11.065 4.189 1.00 0.00 C ATOM 952 CD GLN A 64 -0.079 10.993 5.589 1.00 0.00 C ATOM 953 OE1 GLN A 64 0.172 11.865 6.422 1.00 0.00 O ATOM 954 NE2 GLN A 64 -0.858 9.951 5.855 1.00 0.00 N ATOM 0 H GLN A 64 3.855 13.010 4.869 1.00 0.00 H new ATOM 0 HA GLN A 64 2.536 10.693 5.828 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.677 12.816 4.542 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.125 11.928 3.099 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -0.217 11.556 3.529 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.643 10.054 3.807 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -1.039 9.252 5.134 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -1.276 9.849 6.780 1.00 0.00 H new ATOM 963 N ARG A 65 4.419 10.350 3.148 1.00 0.00 N ATOM 964 CA ARG A 65 5.055 9.367 2.279 1.00 0.00 C ATOM 965 C ARG A 65 5.746 8.282 3.100 1.00 0.00 C ATOM 966 O ARG A 65 5.617 7.093 2.809 1.00 0.00 O ATOM 967 CB ARG A 65 6.070 10.049 1.360 1.00 0.00 C ATOM 968 CG ARG A 65 6.242 9.353 0.020 1.00 0.00 C ATOM 969 CD ARG A 65 7.646 9.546 -0.532 1.00 0.00 C ATOM 970 NE ARG A 65 8.011 10.957 -0.617 1.00 0.00 N ATOM 971 CZ ARG A 65 9.266 11.392 -0.628 1.00 0.00 C ATOM 972 NH1 ARG A 65 10.271 10.530 -0.560 1.00 0.00 N ATOM 973 NH2 ARG A 65 9.518 12.693 -0.707 1.00 0.00 N ATOM 0 H ARG A 65 4.710 11.313 2.980 1.00 0.00 H new ATOM 0 HA ARG A 65 4.280 8.901 1.671 1.00 0.00 H new ATOM 0 HB2 ARG A 65 5.757 11.079 1.187 1.00 0.00 H new ATOM 0 HB3 ARG A 65 7.035 10.090 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 65 6.037 8.288 0.133 1.00 0.00 H new ATOM 0 HG3 ARG A 65 5.514 9.744 -0.690 1.00 0.00 H new ATOM 0 HD2 ARG A 65 8.361 9.024 0.105 1.00 0.00 H new ATOM 0 HD3 ARG A 65 7.712 9.094 -1.522 1.00 0.00 H new ATOM 0 HE ARG A 65 7.261 11.647 -0.671 1.00 0.00 H new ATOM 0 HH11 ARG A 65 10.082 9.530 -0.499 1.00 0.00 H new ATOM 0 HH12 ARG A 65 11.234 10.867 -0.569 1.00 0.00 H new ATOM 0 HH21 ARG A 65 8.748 13.359 -0.759 1.00 0.00 H new ATOM 0 HH22 ARG A 65 10.482 13.026 -0.715 1.00 0.00 H new ATOM 987 N ASP A 66 6.478 8.700 4.127 1.00 0.00 N ATOM 988 CA ASP A 66 7.188 7.764 4.991 1.00 0.00 C ATOM 989 C ASP A 66 6.391 6.476 5.168 1.00 0.00 C ATOM 990 O ASP A 66 6.772 5.423 4.655 1.00 0.00 O ATOM 991 CB ASP A 66 7.460 8.402 6.355 1.00 0.00 C ATOM 992 CG ASP A 66 8.132 7.443 7.318 1.00 0.00 C ATOM 993 OD1 ASP A 66 9.228 6.944 6.989 1.00 0.00 O ATOM 994 OD2 ASP A 66 7.562 7.192 8.400 1.00 0.00 O ATOM 0 H ASP A 66 6.595 9.681 4.381 1.00 0.00 H new ATOM 0 HA ASP A 66 8.138 7.519 4.517 1.00 0.00 H new ATOM 0 HB2 ASP A 66 8.091 9.281 6.223 1.00 0.00 H new ATOM 0 HB3 ASP A 66 6.520 8.746 6.786 1.00 0.00 H new ATOM 999 N SER A 67 5.284 6.566 5.898 1.00 0.00 N ATOM 1000 CA SER A 67 4.435 5.406 6.147 1.00 0.00 C ATOM 1001 C SER A 67 4.090 4.696 4.841 1.00 0.00 C ATOM 1002 O SER A 67 4.358 3.505 4.679 1.00 0.00 O ATOM 1003 CB SER A 67 3.153 5.831 6.864 1.00 0.00 C ATOM 1004 OG SER A 67 2.431 6.781 6.100 1.00 0.00 O ATOM 0 H SER A 67 4.954 7.430 6.328 1.00 0.00 H new ATOM 0 HA SER A 67 4.985 4.713 6.783 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.528 4.957 7.047 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.401 6.255 7.837 1.00 0.00 H new ATOM 0 HG SER A 67 3.056 7.415 5.691 1.00 0.00 H new ATOM 1010 N HIS A 68 3.492 5.436 3.912 1.00 0.00 N ATOM 1011 CA HIS A 68 3.110 4.878 2.620 1.00 0.00 C ATOM 1012 C HIS A 68 4.160 3.889 2.123 1.00 0.00 C ATOM 1013 O HIS A 68 3.849 2.963 1.374 1.00 0.00 O ATOM 1014 CB HIS A 68 2.919 5.996 1.595 1.00 0.00 C ATOM 1015 CG HIS A 68 1.559 6.621 1.635 1.00 0.00 C ATOM 1016 ND1 HIS A 68 0.392 5.885 1.626 1.00 0.00 N ATOM 1017 CD2 HIS A 68 1.182 7.920 1.688 1.00 0.00 C ATOM 1018 CE1 HIS A 68 -0.643 6.705 1.669 1.00 0.00 C ATOM 1019 NE2 HIS A 68 -0.191 7.945 1.708 1.00 0.00 N ATOM 0 H HIS A 68 3.262 6.423 4.030 1.00 0.00 H new ATOM 0 HA HIS A 68 2.167 4.346 2.746 1.00 0.00 H new ATOM 0 HB2 HIS A 68 3.669 6.768 1.768 1.00 0.00 H new ATOM 0 HB3 HIS A 68 3.097 5.596 0.597 1.00 0.00 H new ATOM 0 HD2 HIS A 68 1.839 8.777 1.710 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -1.682 6.411 1.672 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.768 8.785 1.747 1.00 0.00 H new ATOM 1028 N MET A 69 5.404 4.093 2.544 1.00 0.00 N ATOM 1029 CA MET A 69 6.499 3.218 2.142 1.00 0.00 C ATOM 1030 C MET A 69 6.772 2.162 3.208 1.00 0.00 C ATOM 1031 O MET A 69 7.009 0.995 2.895 1.00 0.00 O ATOM 1032 CB MET A 69 7.765 4.037 1.882 1.00 0.00 C ATOM 1033 CG MET A 69 7.795 4.691 0.510 1.00 0.00 C ATOM 1034 SD MET A 69 7.612 3.500 -0.831 1.00 0.00 S ATOM 1035 CE MET A 69 8.845 2.283 -0.374 1.00 0.00 C ATOM 0 H MET A 69 5.679 4.856 3.163 1.00 0.00 H new ATOM 0 HA MET A 69 6.207 2.712 1.222 1.00 0.00 H new ATOM 0 HB2 MET A 69 7.851 4.810 2.646 1.00 0.00 H new ATOM 0 HB3 MET A 69 8.635 3.388 1.985 1.00 0.00 H new ATOM 0 HG2 MET A 69 6.996 5.430 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 69 8.736 5.228 0.388 1.00 0.00 H new ATOM 0 HE1 MET A 69 9.135 1.710 -1.255 1.00 0.00 H new ATOM 0 HE2 MET A 69 9.720 2.788 0.035 1.00 0.00 H new ATOM 0 HE3 MET A 69 8.431 1.610 0.377 1.00 0.00 H new ATOM 1045 N LYS A 70 6.738 2.579 4.469 1.00 0.00 N ATOM 1046 CA LYS A 70 6.981 1.670 5.583 1.00 0.00 C ATOM 1047 C LYS A 70 6.106 0.426 5.471 1.00 0.00 C ATOM 1048 O LYS A 70 6.509 -0.665 5.872 1.00 0.00 O ATOM 1049 CB LYS A 70 6.712 2.377 6.914 1.00 0.00 C ATOM 1050 CG LYS A 70 5.281 2.230 7.402 1.00 0.00 C ATOM 1051 CD LYS A 70 5.108 2.797 8.801 1.00 0.00 C ATOM 1052 CE LYS A 70 5.427 1.758 9.866 1.00 0.00 C ATOM 1053 NZ LYS A 70 5.720 2.387 11.184 1.00 0.00 N ATOM 0 H LYS A 70 6.544 3.542 4.745 1.00 0.00 H new ATOM 0 HA LYS A 70 8.026 1.363 5.546 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.388 1.979 7.671 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.943 3.437 6.806 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.607 2.742 6.715 1.00 0.00 H new ATOM 0 HG3 LYS A 70 5.001 1.177 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.760 3.662 8.928 1.00 0.00 H new ATOM 0 HD3 LYS A 70 4.084 3.148 8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 70 4.585 1.073 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.284 1.164 9.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 5.932 1.646 11.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.539 3.021 11.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 4.893 2.933 11.499 1.00 0.00 H new ATOM 1067 N GLN A 71 4.908 0.598 4.921 1.00 0.00 N ATOM 1068 CA GLN A 71 3.977 -0.512 4.755 1.00 0.00 C ATOM 1069 C GLN A 71 4.317 -1.326 3.511 1.00 0.00 C ATOM 1070 O GLN A 71 4.171 -2.549 3.497 1.00 0.00 O ATOM 1071 CB GLN A 71 2.542 0.008 4.663 1.00 0.00 C ATOM 1072 CG GLN A 71 1.871 0.185 6.016 1.00 0.00 C ATOM 1073 CD GLN A 71 1.939 -1.066 6.869 1.00 0.00 C ATOM 1074 OE1 GLN A 71 1.202 -2.026 6.644 1.00 0.00 O ATOM 1075 NE2 GLN A 71 2.827 -1.061 7.857 1.00 0.00 N ATOM 0 H GLN A 71 4.560 1.495 4.583 1.00 0.00 H new ATOM 0 HA GLN A 71 4.065 -1.161 5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.544 0.964 4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.952 -0.683 4.062 1.00 0.00 H new ATOM 0 HG2 GLN A 71 2.346 1.009 6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 71 0.827 0.462 5.866 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.418 -0.243 8.007 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.918 -1.875 8.465 1.00 0.00 H new ATOM 1084 N LEU A 72 4.770 -0.640 2.467 1.00 0.00 N ATOM 1085 CA LEU A 72 5.130 -1.300 1.217 1.00 0.00 C ATOM 1086 C LEU A 72 6.242 -2.320 1.440 1.00 0.00 C ATOM 1087 O LEU A 72 6.131 -3.475 1.026 1.00 0.00 O ATOM 1088 CB LEU A 72 5.573 -0.265 0.181 1.00 0.00 C ATOM 1089 CG LEU A 72 6.335 -0.808 -1.028 1.00 0.00 C ATOM 1090 CD1 LEU A 72 5.480 -1.807 -1.793 1.00 0.00 C ATOM 1091 CD2 LEU A 72 6.772 0.329 -1.939 1.00 0.00 C ATOM 0 H LEU A 72 4.897 0.372 2.461 1.00 0.00 H new ATOM 0 HA LEU A 72 4.250 -1.825 0.845 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.689 0.261 -0.179 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.202 0.473 0.680 1.00 0.00 H new ATOM 0 HG LEU A 72 7.227 -1.322 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.039 -2.183 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.218 -2.638 -1.138 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.570 -1.317 -2.140 1.00 0.00 H new ATOM 0 HD21 LEU A 72 7.313 -0.077 -2.794 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.894 0.872 -2.289 1.00 0.00 H new ATOM 0 HD23 LEU A 72 7.422 1.008 -1.387 1.00 0.00 H new ATOM 1103 N LEU A 73 7.312 -1.887 2.097 1.00 0.00 N ATOM 1104 CA LEU A 73 8.443 -2.764 2.378 1.00 0.00 C ATOM 1105 C LEU A 73 8.018 -3.940 3.251 1.00 0.00 C ATOM 1106 O LEU A 73 8.574 -5.035 3.150 1.00 0.00 O ATOM 1107 CB LEU A 73 9.561 -1.980 3.069 1.00 0.00 C ATOM 1108 CG LEU A 73 9.902 -0.620 2.460 1.00 0.00 C ATOM 1109 CD1 LEU A 73 11.101 -0.005 3.165 1.00 0.00 C ATOM 1110 CD2 LEU A 73 10.171 -0.755 0.968 1.00 0.00 C ATOM 0 H LEU A 73 7.420 -0.934 2.445 1.00 0.00 H new ATOM 0 HA LEU A 73 8.812 -3.155 1.430 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.281 -1.829 4.111 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.462 -2.593 3.067 1.00 0.00 H new ATOM 0 HG LEU A 73 9.047 0.042 2.596 1.00 0.00 H new ATOM 0 HD11 LEU A 73 11.329 0.963 2.718 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.872 0.129 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 73 11.962 -0.665 3.061 1.00 0.00 H new ATOM 0 HD21 LEU A 73 10.412 0.223 0.552 1.00 0.00 H new ATOM 0 HD22 LEU A 73 11.009 -1.433 0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 73 9.285 -1.152 0.473 1.00 0.00 H new ATOM 1122 N LEU A 74 7.027 -3.708 4.105 1.00 0.00 N ATOM 1123 CA LEU A 74 6.524 -4.750 4.994 1.00 0.00 C ATOM 1124 C LEU A 74 5.646 -5.739 4.233 1.00 0.00 C ATOM 1125 O LEU A 74 5.692 -6.944 4.482 1.00 0.00 O ATOM 1126 CB LEU A 74 5.731 -4.127 6.144 1.00 0.00 C ATOM 1127 CG LEU A 74 6.539 -3.737 7.382 1.00 0.00 C ATOM 1128 CD1 LEU A 74 5.681 -2.935 8.349 1.00 0.00 C ATOM 1129 CD2 LEU A 74 7.100 -4.976 8.066 1.00 0.00 C ATOM 0 H LEU A 74 6.556 -2.808 4.201 1.00 0.00 H new ATOM 0 HA LEU A 74 7.379 -5.290 5.400 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.225 -3.237 5.770 1.00 0.00 H new ATOM 0 HB3 LEU A 74 4.956 -4.831 6.447 1.00 0.00 H new ATOM 0 HG LEU A 74 7.374 -3.112 7.065 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.273 -2.666 9.224 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.329 -2.028 7.857 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.826 -3.535 8.660 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.672 -4.679 8.945 1.00 0.00 H new ATOM 0 HD22 LEU A 74 6.280 -5.627 8.370 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.750 -5.511 7.374 1.00 0.00 H new ATOM 1141 N ILE A 75 4.850 -5.221 3.304 1.00 0.00 N ATOM 1142 CA ILE A 75 3.965 -6.059 2.505 1.00 0.00 C ATOM 1143 C ILE A 75 4.755 -6.901 1.509 1.00 0.00 C ATOM 1144 O ILE A 75 4.513 -8.099 1.364 1.00 0.00 O ATOM 1145 CB ILE A 75 2.930 -5.214 1.738 1.00 0.00 C ATOM 1146 CG1 ILE A 75 1.963 -4.542 2.715 1.00 0.00 C ATOM 1147 CG2 ILE A 75 2.171 -6.080 0.744 1.00 0.00 C ATOM 1148 CD1 ILE A 75 1.257 -3.337 2.134 1.00 0.00 C ATOM 0 H ILE A 75 4.800 -4.226 3.086 1.00 0.00 H new ATOM 0 HA ILE A 75 3.443 -6.717 3.199 1.00 0.00 H new ATOM 0 HB ILE A 75 3.456 -4.436 1.184 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.218 -5.270 3.035 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.513 -4.237 3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.444 -5.469 0.210 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.872 -6.516 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.653 -6.877 1.277 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.588 -2.912 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.994 -2.590 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.679 -3.640 1.261 1.00 0.00 H new ATOM 1160 N GLN A 76 5.703 -6.266 0.826 1.00 0.00 N ATOM 1161 CA GLN A 76 6.530 -6.957 -0.155 1.00 0.00 C ATOM 1162 C GLN A 76 7.150 -8.215 0.444 1.00 0.00 C ATOM 1163 O GLN A 76 6.948 -9.319 -0.061 1.00 0.00 O ATOM 1164 CB GLN A 76 7.630 -6.028 -0.671 1.00 0.00 C ATOM 1165 CG GLN A 76 7.193 -5.155 -1.836 1.00 0.00 C ATOM 1166 CD GLN A 76 8.365 -4.601 -2.622 1.00 0.00 C ATOM 1167 OE1 GLN A 76 8.819 -5.209 -3.593 1.00 0.00 O ATOM 1168 NE2 GLN A 76 8.862 -3.442 -2.208 1.00 0.00 N ATOM 0 H GLN A 76 5.917 -5.275 0.935 1.00 0.00 H new ATOM 0 HA GLN A 76 5.892 -7.251 -0.988 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.966 -5.388 0.145 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.486 -6.628 -0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.556 -5.737 -2.502 1.00 0.00 H new ATOM 0 HG3 GLN A 76 6.590 -4.329 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 76 8.455 -2.973 -1.399 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.651 -3.021 -2.699 1.00 0.00 H new ATOM 1177 N GLU A 77 7.905 -8.040 1.524 1.00 0.00 N ATOM 1178 CA GLU A 77 8.555 -9.162 2.191 1.00 0.00 C ATOM 1179 C GLU A 77 7.530 -10.208 2.619 1.00 0.00 C ATOM 1180 O GLU A 77 7.794 -11.410 2.564 1.00 0.00 O ATOM 1181 CB GLU A 77 9.340 -8.673 3.410 1.00 0.00 C ATOM 1182 CG GLU A 77 8.487 -7.937 4.429 1.00 0.00 C ATOM 1183 CD GLU A 77 9.315 -7.126 5.407 1.00 0.00 C ATOM 1184 OE1 GLU A 77 10.147 -6.314 4.950 1.00 0.00 O ATOM 1185 OE2 GLU A 77 9.131 -7.304 6.629 1.00 0.00 O ATOM 0 H GLU A 77 8.082 -7.133 1.955 1.00 0.00 H new ATOM 0 HA GLU A 77 9.245 -9.622 1.484 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.812 -9.528 3.894 1.00 0.00 H new ATOM 0 HB3 GLU A 77 10.141 -8.014 3.075 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.796 -7.275 3.908 1.00 0.00 H new ATOM 0 HG3 GLU A 77 7.883 -8.658 4.980 1.00 0.00 H new ATOM 1192 N ARG A 78 6.360 -9.743 3.044 1.00 0.00 N ATOM 1193 CA ARG A 78 5.296 -10.638 3.483 1.00 0.00 C ATOM 1194 C ARG A 78 4.741 -11.439 2.309 1.00 0.00 C ATOM 1195 O ARG A 78 4.073 -12.455 2.499 1.00 0.00 O ATOM 1196 CB ARG A 78 4.172 -9.841 4.147 1.00 0.00 C ATOM 1197 CG ARG A 78 4.504 -9.376 5.555 1.00 0.00 C ATOM 1198 CD ARG A 78 4.534 -10.540 6.533 1.00 0.00 C ATOM 1199 NE ARG A 78 3.210 -10.835 7.075 1.00 0.00 N ATOM 1200 CZ ARG A 78 2.357 -11.682 6.510 1.00 0.00 C ATOM 1201 NH1 ARG A 78 2.688 -12.316 5.393 1.00 0.00 N ATOM 1202 NH2 ARG A 78 1.171 -11.898 7.063 1.00 0.00 N ATOM 0 H ARG A 78 6.125 -8.752 3.094 1.00 0.00 H new ATOM 0 HA ARG A 78 5.717 -11.334 4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.942 -8.971 3.531 1.00 0.00 H new ATOM 0 HB3 ARG A 78 3.272 -10.456 4.179 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.472 -8.874 5.555 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.765 -8.644 5.881 1.00 0.00 H new ATOM 0 HD2 ARG A 78 4.925 -11.425 6.031 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.217 -10.309 7.350 1.00 0.00 H new ATOM 0 HE ARG A 78 2.925 -10.365 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.600 -12.154 4.966 1.00 0.00 H new ATOM 0 HH12 ARG A 78 2.031 -12.966 4.962 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.913 -11.413 7.923 1.00 0.00 H new ATOM 0 HH22 ARG A 78 0.517 -12.549 6.628 1.00 0.00 H new ATOM 1216 N TRP A 79 5.023 -10.975 1.097 1.00 0.00 N ATOM 1217 CA TRP A 79 4.552 -11.649 -0.108 1.00 0.00 C ATOM 1218 C TRP A 79 5.505 -12.767 -0.515 1.00 0.00 C ATOM 1219 O TRP A 79 5.103 -13.924 -0.641 1.00 0.00 O ATOM 1220 CB TRP A 79 4.405 -10.645 -1.253 1.00 0.00 C ATOM 1221 CG TRP A 79 3.732 -11.220 -2.463 1.00 0.00 C ATOM 1222 CD1 TRP A 79 2.970 -12.352 -2.517 1.00 0.00 C ATOM 1223 CD2 TRP A 79 3.763 -10.690 -3.793 1.00 0.00 C ATOM 1224 NE1 TRP A 79 2.526 -12.558 -3.801 1.00 0.00 N ATOM 1225 CE2 TRP A 79 2.997 -11.552 -4.602 1.00 0.00 C ATOM 1226 CE3 TRP A 79 4.361 -9.571 -4.378 1.00 0.00 C ATOM 1227 CZ2 TRP A 79 2.817 -11.329 -5.965 1.00 0.00 C ATOM 1228 CZ3 TRP A 79 4.181 -9.351 -5.731 1.00 0.00 C ATOM 1229 CH2 TRP A 79 3.414 -10.225 -6.511 1.00 0.00 C ATOM 0 H TRP A 79 5.575 -10.135 0.922 1.00 0.00 H new ATOM 0 HA TRP A 79 3.578 -12.089 0.108 1.00 0.00 H new ATOM 0 HB2 TRP A 79 3.834 -9.785 -0.902 1.00 0.00 H new ATOM 0 HB3 TRP A 79 5.392 -10.278 -1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 79 2.749 -12.991 -1.675 1.00 0.00 H new ATOM 0 HE1 TRP A 79 1.940 -13.335 -4.108 1.00 0.00 H new ATOM 0 HE3 TRP A 79 4.953 -8.890 -3.784 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 2.228 -12.003 -6.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 4.640 -8.490 -6.194 1.00 0.00 H new ATOM 0 HH2 TRP A 79 3.291 -10.024 -7.565 1.00 0.00 H new ATOM 1240 N LYS A 80 6.770 -12.416 -0.718 1.00 0.00 N ATOM 1241 CA LYS A 80 7.782 -13.390 -1.109 1.00 0.00 C ATOM 1242 C LYS A 80 7.821 -14.557 -0.128 1.00 0.00 C ATOM 1243 O LYS A 80 8.202 -15.671 -0.489 1.00 0.00 O ATOM 1244 CB LYS A 80 9.158 -12.725 -1.183 1.00 0.00 C ATOM 1245 CG LYS A 80 9.657 -12.209 0.156 1.00 0.00 C ATOM 1246 CD LYS A 80 11.161 -11.991 0.144 1.00 0.00 C ATOM 1247 CE LYS A 80 11.705 -11.785 1.550 1.00 0.00 C ATOM 1248 NZ LYS A 80 13.163 -11.482 1.541 1.00 0.00 N ATOM 0 H LYS A 80 7.119 -11.463 -0.618 1.00 0.00 H new ATOM 0 HA LYS A 80 7.519 -13.775 -2.094 1.00 0.00 H new ATOM 0 HB2 LYS A 80 9.878 -13.442 -1.578 1.00 0.00 H new ATOM 0 HB3 LYS A 80 9.114 -11.896 -1.889 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.154 -11.272 0.396 1.00 0.00 H new ATOM 0 HG3 LYS A 80 9.398 -12.920 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.651 -12.850 -0.315 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.399 -11.123 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 80 11.167 -10.968 2.032 1.00 0.00 H new ATOM 0 HE3 LYS A 80 11.524 -12.680 2.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 13.496 -11.348 2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.679 -12.272 1.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.334 -10.613 0.995 1.00 0.00 H new ATOM 1262 N ARG A 81 7.424 -14.295 1.113 1.00 0.00 N ATOM 1263 CA ARG A 81 7.415 -15.324 2.146 1.00 0.00 C ATOM 1264 C ARG A 81 6.196 -16.231 1.998 1.00 0.00 C ATOM 1265 O ARG A 81 6.289 -17.445 2.176 1.00 0.00 O ATOM 1266 CB ARG A 81 7.421 -14.683 3.535 1.00 0.00 C ATOM 1267 CG ARG A 81 8.775 -14.127 3.943 1.00 0.00 C ATOM 1268 CD ARG A 81 8.695 -13.380 5.265 1.00 0.00 C ATOM 1269 NE ARG A 81 9.862 -12.529 5.485 1.00 0.00 N ATOM 1270 CZ ARG A 81 11.078 -13.000 5.735 1.00 0.00 C ATOM 1271 NH1 ARG A 81 11.286 -14.308 5.797 1.00 0.00 N ATOM 1272 NH2 ARG A 81 12.089 -12.162 5.924 1.00 0.00 N ATOM 0 H ARG A 81 7.104 -13.379 1.428 1.00 0.00 H new ATOM 0 HA ARG A 81 8.314 -15.929 2.029 1.00 0.00 H new ATOM 0 HB2 ARG A 81 6.686 -13.879 3.558 1.00 0.00 H new ATOM 0 HB3 ARG A 81 7.106 -15.424 4.269 1.00 0.00 H new ATOM 0 HG2 ARG A 81 9.494 -14.942 4.027 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.143 -13.456 3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.793 -12.769 5.282 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.610 -14.097 6.082 1.00 0.00 H new ATOM 0 HE ARG A 81 9.736 -11.518 5.444 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.511 -14.955 5.652 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.221 -14.667 5.989 1.00 0.00 H new ATOM 0 HH21 ARG A 81 11.932 -11.155 5.877 1.00 0.00 H new ATOM 0 HH22 ARG A 81 13.023 -12.525 6.116 1.00 0.00 H new