USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 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 47 HIS : no HE2:sc= -2! C(o=-3.4!,f=-7.1!) USER MOD Set 1.2: A 48 THR OG1 : rot 90:sc= -1.41! USER MOD Set 2.1: A 34 ASN : amide:sc= -4.06! C(o=-4.1!,f=-19!) USER MOD Set 2.2: A 73 LYS NZ :NH3+ -147:sc= -0.0651 (180deg=-3.24!) USER MOD Single : A 26 SER OG : rot 180:sc= -1.52 USER MOD Single : A 30 GLN : amide:sc= -1.72 K(o=-1.7,f=-7.8!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= -2.69! C(o=-2.7!,f=-10!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 153:sc= -1.64 (180deg=-2.45!) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 64 LYS NZ :NH3+ 136:sc= 0.556 (180deg=0.00288) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -136:sc= -0.644 (180deg=-2.56!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -5.986 5.994 -2.145 1.00 0.00 N ATOM 116 CA PRO A 24 -5.024 7.098 -2.263 1.00 0.00 C ATOM 117 C PRO A 24 -4.124 7.039 -1.043 1.00 0.00 C ATOM 118 O PRO A 24 -4.101 7.938 -0.227 1.00 0.00 O ATOM 119 CB PRO A 24 -5.901 8.348 -2.266 1.00 0.00 C ATOM 120 CG PRO A 24 -7.155 7.929 -1.570 1.00 0.00 C ATOM 121 CD PRO A 24 -7.347 6.467 -1.873 1.00 0.00 C ATOM 0 HA PRO A 24 -4.387 7.070 -3.147 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.416 9.174 -1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.105 8.687 -3.282 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.076 8.095 -0.496 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.006 8.512 -1.921 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.796 5.938 -1.032 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.003 6.317 -2.730 1.00 0.00 H new ATOM 129 N ILE A 25 -3.394 5.963 -0.904 1.00 0.00 N ATOM 130 CA ILE A 25 -2.496 5.802 0.268 1.00 0.00 C ATOM 131 C ILE A 25 -1.366 6.821 0.192 1.00 0.00 C ATOM 132 O ILE A 25 -0.199 6.488 0.226 1.00 0.00 O ATOM 133 CB ILE A 25 -1.970 4.374 0.149 1.00 0.00 C ATOM 134 CG1 ILE A 25 -1.094 4.254 -1.095 1.00 0.00 C ATOM 135 CG2 ILE A 25 -3.150 3.414 0.015 1.00 0.00 C ATOM 136 CD1 ILE A 25 0.305 3.795 -0.687 1.00 0.00 C ATOM 0 H ILE A 25 -3.385 5.183 -1.562 1.00 0.00 H new ATOM 0 HA ILE A 25 -2.997 5.967 1.222 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.386 4.129 1.036 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.533 3.543 -1.795 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -1.039 5.214 -1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.780 2.392 -0.070 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.788 3.497 0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.726 3.667 -0.875 1.00 0.00 H new ATOM 0 HD11 ILE A 25 0.933 3.709 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 25 0.742 4.523 -0.003 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.240 2.826 -0.193 1.00 0.00 H new ATOM 148 N SER A 26 -1.720 8.065 0.077 1.00 0.00 N ATOM 149 CA SER A 26 -0.687 9.135 -0.018 1.00 0.00 C ATOM 150 C SER A 26 -0.063 9.420 1.351 1.00 0.00 C ATOM 151 O SER A 26 1.087 9.118 1.592 1.00 0.00 O ATOM 152 CB SER A 26 -1.439 10.365 -0.526 1.00 0.00 C ATOM 153 OG SER A 26 -0.684 10.983 -1.559 1.00 0.00 O ATOM 0 H SER A 26 -2.685 8.393 0.044 1.00 0.00 H new ATOM 0 HA SER A 26 0.132 8.848 -0.677 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.421 10.076 -0.900 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.603 11.068 0.291 1.00 0.00 H new ATOM 0 HG SER A 26 -1.164 11.771 -1.888 1.00 0.00 H new ATOM 159 N ARG A 27 -0.804 10.016 2.242 1.00 0.00 N ATOM 160 CA ARG A 27 -0.244 10.345 3.587 1.00 0.00 C ATOM 161 C ARG A 27 -0.082 9.093 4.457 1.00 0.00 C ATOM 162 O ARG A 27 0.595 9.117 5.465 1.00 0.00 O ATOM 163 CB ARG A 27 -1.265 11.296 4.208 1.00 0.00 C ATOM 164 CG ARG A 27 -0.538 12.494 4.821 1.00 0.00 C ATOM 165 CD ARG A 27 -1.517 13.659 4.971 1.00 0.00 C ATOM 166 NE ARG A 27 -1.760 13.765 6.436 1.00 0.00 N ATOM 167 CZ ARG A 27 -2.236 14.869 6.945 1.00 0.00 C ATOM 168 NH1 ARG A 27 -2.516 15.881 6.170 1.00 0.00 N ATOM 169 NH2 ARG A 27 -2.431 14.960 8.232 1.00 0.00 N ATOM 0 H ARG A 27 -1.776 10.291 2.099 1.00 0.00 H new ATOM 0 HA ARG A 27 0.751 10.784 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.971 11.634 3.450 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.843 10.777 4.973 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -0.125 12.224 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 27 0.300 12.788 4.189 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -1.097 14.582 4.572 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.443 13.469 4.429 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.554 12.972 7.044 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.363 15.811 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -2.888 16.742 6.570 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -2.212 14.170 8.838 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -2.803 15.822 8.632 1.00 0.00 H new ATOM 183 N LEU A 28 -0.704 8.008 4.101 1.00 0.00 N ATOM 184 CA LEU A 28 -0.582 6.781 4.942 1.00 0.00 C ATOM 185 C LEU A 28 0.837 6.202 4.890 1.00 0.00 C ATOM 186 O LEU A 28 1.583 6.287 5.846 1.00 0.00 O ATOM 187 CB LEU A 28 -1.588 5.794 4.354 1.00 0.00 C ATOM 188 CG LEU A 28 -2.529 5.311 5.459 1.00 0.00 C ATOM 189 CD1 LEU A 28 -3.327 6.494 6.012 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.494 4.272 4.886 1.00 0.00 C ATOM 0 H LEU A 28 -1.289 7.914 3.271 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.780 6.997 5.992 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.159 6.271 3.557 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.066 4.947 3.909 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.943 4.864 6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.996 6.146 6.799 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.641 7.236 6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.913 6.944 5.211 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.165 3.927 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.077 4.721 4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.928 3.427 4.495 1.00 0.00 H new ATOM 202 N GLU A 29 1.213 5.594 3.797 1.00 0.00 N ATOM 203 CA GLU A 29 2.578 4.994 3.718 1.00 0.00 C ATOM 204 C GLU A 29 3.639 6.062 3.413 1.00 0.00 C ATOM 205 O GLU A 29 4.794 5.905 3.751 1.00 0.00 O ATOM 206 CB GLU A 29 2.486 3.948 2.593 1.00 0.00 C ATOM 207 CG GLU A 29 2.803 4.588 1.243 1.00 0.00 C ATOM 208 CD GLU A 29 4.317 4.657 1.064 1.00 0.00 C ATOM 209 OE1 GLU A 29 4.929 3.607 0.960 1.00 0.00 O ATOM 210 OE2 GLU A 29 4.840 5.759 1.036 1.00 0.00 O ATOM 0 H GLU A 29 0.639 5.487 2.960 1.00 0.00 H new ATOM 0 HA GLU A 29 2.883 4.544 4.663 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.182 3.132 2.788 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.486 3.515 2.571 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.356 4.006 0.437 1.00 0.00 H new ATOM 0 HG3 GLU A 29 2.373 5.588 1.191 1.00 0.00 H new ATOM 217 N GLN A 30 3.269 7.146 2.788 1.00 0.00 N ATOM 218 CA GLN A 30 4.286 8.197 2.489 1.00 0.00 C ATOM 219 C GLN A 30 4.650 8.947 3.772 1.00 0.00 C ATOM 220 O GLN A 30 5.776 9.360 3.964 1.00 0.00 O ATOM 221 CB GLN A 30 3.628 9.141 1.488 1.00 0.00 C ATOM 222 CG GLN A 30 4.711 9.871 0.692 1.00 0.00 C ATOM 223 CD GLN A 30 5.073 11.175 1.405 1.00 0.00 C ATOM 224 OE1 GLN A 30 4.709 11.378 2.545 1.00 0.00 O ATOM 225 NE2 GLN A 30 5.781 12.074 0.777 1.00 0.00 N ATOM 0 H GLN A 30 2.320 7.349 2.474 1.00 0.00 H new ATOM 0 HA GLN A 30 5.205 7.771 2.087 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.981 8.580 0.814 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.997 9.861 2.010 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.594 9.240 0.594 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.357 10.082 -0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.087 11.904 -0.181 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.028 12.946 1.244 1.00 0.00 H new ATOM 234 N CYS A 31 3.705 9.117 4.656 1.00 0.00 N ATOM 235 CA CYS A 31 4.002 9.831 5.930 1.00 0.00 C ATOM 236 C CYS A 31 4.707 8.880 6.894 1.00 0.00 C ATOM 237 O CYS A 31 5.246 9.289 7.904 1.00 0.00 O ATOM 238 CB CYS A 31 2.638 10.246 6.485 1.00 0.00 C ATOM 239 SG CYS A 31 2.860 11.493 7.777 1.00 0.00 S ATOM 0 H CYS A 31 2.743 8.794 4.552 1.00 0.00 H new ATOM 0 HA CYS A 31 4.654 10.692 5.786 1.00 0.00 H new ATOM 0 HB2 CYS A 31 2.015 10.645 5.685 1.00 0.00 H new ATOM 0 HB3 CYS A 31 2.120 9.377 6.890 1.00 0.00 H new ATOM 0 HG CYS A 31 1.699 11.845 8.245 1.00 0.00 H new ATOM 245 N GLY A 32 4.720 7.613 6.584 1.00 0.00 N ATOM 246 CA GLY A 32 5.407 6.641 7.477 1.00 0.00 C ATOM 247 C GLY A 32 4.411 5.619 8.034 1.00 0.00 C ATOM 248 O GLY A 32 4.131 5.600 9.216 1.00 0.00 O ATOM 0 H GLY A 32 4.286 7.211 5.753 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.194 6.126 6.925 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.889 7.172 8.298 1.00 0.00 H new ATOM 252 N ILE A 33 3.898 4.742 7.209 1.00 0.00 N ATOM 253 CA ILE A 33 2.961 3.712 7.729 1.00 0.00 C ATOM 254 C ILE A 33 3.800 2.563 8.299 1.00 0.00 C ATOM 255 O ILE A 33 4.707 2.780 9.078 1.00 0.00 O ATOM 256 CB ILE A 33 2.106 3.272 6.521 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.927 2.431 7.016 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.947 2.448 5.524 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.336 3.293 7.048 1.00 0.00 C ATOM 0 H ILE A 33 4.087 4.697 6.208 1.00 0.00 H new ATOM 0 HA ILE A 33 2.308 4.070 8.525 1.00 0.00 H new ATOM 0 HB ILE A 33 1.740 4.162 6.009 1.00 0.00 H new ATOM 0 HG12 ILE A 33 0.778 1.573 6.361 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.138 2.039 8.011 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.323 2.149 4.682 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.779 3.053 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.334 1.559 6.022 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.176 2.695 7.400 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.184 4.137 7.721 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.550 3.663 6.045 1.00 0.00 H new ATOM 271 N ASN A 34 3.531 1.356 7.913 1.00 0.00 N ATOM 272 CA ASN A 34 4.339 0.210 8.425 1.00 0.00 C ATOM 273 C ASN A 34 5.673 0.145 7.671 1.00 0.00 C ATOM 274 O ASN A 34 6.368 1.136 7.547 1.00 0.00 O ATOM 275 CB ASN A 34 3.491 -1.030 8.144 1.00 0.00 C ATOM 276 CG ASN A 34 3.958 -2.188 9.033 1.00 0.00 C ATOM 277 OD1 ASN A 34 3.244 -3.154 9.214 1.00 0.00 O ATOM 278 ND2 ASN A 34 5.133 -2.133 9.605 1.00 0.00 N ATOM 0 H ASN A 34 2.786 1.105 7.263 1.00 0.00 H new ATOM 0 HA ASN A 34 4.575 0.300 9.485 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.440 -0.814 8.334 1.00 0.00 H new ATOM 0 HB3 ASN A 34 3.574 -1.309 7.094 1.00 0.00 H new ATOM 0 HD21 ASN A 34 5.447 -2.899 10.200 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.736 -1.324 9.456 1.00 0.00 H new ATOM 285 N ALA A 35 6.040 -1.001 7.156 1.00 0.00 N ATOM 286 CA ALA A 35 7.325 -1.097 6.407 1.00 0.00 C ATOM 287 C ALA A 35 7.163 -0.498 5.013 1.00 0.00 C ATOM 288 O ALA A 35 8.126 -0.163 4.355 1.00 0.00 O ATOM 289 CB ALA A 35 7.619 -2.591 6.288 1.00 0.00 C ATOM 0 H ALA A 35 5.508 -1.869 7.222 1.00 0.00 H new ATOM 0 HA ALA A 35 8.127 -0.558 6.912 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.553 -2.736 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.706 -3.025 7.284 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.807 -3.080 5.749 1.00 0.00 H new ATOM 295 N ASN A 36 5.948 -0.378 4.552 1.00 0.00 N ATOM 296 CA ASN A 36 5.728 0.181 3.190 1.00 0.00 C ATOM 297 C ASN A 36 6.641 1.375 2.947 1.00 0.00 C ATOM 298 O ASN A 36 7.353 1.419 1.967 1.00 0.00 O ATOM 299 CB ASN A 36 4.271 0.634 3.144 1.00 0.00 C ATOM 300 CG ASN A 36 3.364 -0.477 3.670 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.582 -0.996 4.746 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.347 -0.868 2.953 1.00 0.00 N ATOM 0 H ASN A 36 5.102 -0.642 5.058 1.00 0.00 H new ATOM 0 HA ASN A 36 5.947 -0.564 2.425 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.142 1.535 3.744 1.00 0.00 H new ATOM 0 HB3 ASN A 36 3.993 0.889 2.122 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.736 -1.609 3.296 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.163 -0.433 2.049 1.00 0.00 H new ATOM 309 N ASP A 37 6.604 2.347 3.817 1.00 0.00 N ATOM 310 CA ASP A 37 7.454 3.564 3.635 1.00 0.00 C ATOM 311 C ASP A 37 8.711 3.238 2.823 1.00 0.00 C ATOM 312 O ASP A 37 8.866 3.665 1.693 1.00 0.00 O ATOM 313 CB ASP A 37 7.845 3.997 5.053 1.00 0.00 C ATOM 314 CG ASP A 37 6.600 4.055 5.940 1.00 0.00 C ATOM 315 OD1 ASP A 37 5.626 4.654 5.518 1.00 0.00 O ATOM 316 OD2 ASP A 37 6.643 3.500 7.025 1.00 0.00 O ATOM 0 H ASP A 37 6.019 2.353 4.652 1.00 0.00 H new ATOM 0 HA ASP A 37 6.921 4.345 3.093 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.568 3.296 5.471 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.328 4.974 5.024 1.00 0.00 H new ATOM 321 N VAL A 38 9.600 2.479 3.401 1.00 0.00 N ATOM 322 CA VAL A 38 10.870 2.111 2.710 1.00 0.00 C ATOM 323 C VAL A 38 10.649 1.201 1.495 1.00 0.00 C ATOM 324 O VAL A 38 11.084 1.503 0.406 1.00 0.00 O ATOM 325 CB VAL A 38 11.677 1.358 3.768 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.132 1.238 3.308 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.628 2.127 5.091 1.00 0.00 C ATOM 0 H VAL A 38 9.499 2.091 4.339 1.00 0.00 H new ATOM 0 HA VAL A 38 11.366 3.002 2.325 1.00 0.00 H new ATOM 0 HB VAL A 38 11.253 0.364 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.709 0.701 4.061 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.172 0.693 2.365 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.553 2.234 3.170 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.203 1.590 5.845 1.00 0.00 H new ATOM 0 HG22 VAL A 38 12.053 3.121 4.950 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.593 2.218 5.421 1.00 0.00 H new ATOM 337 N LYS A 39 10.035 0.066 1.676 1.00 0.00 N ATOM 338 CA LYS A 39 9.870 -0.874 0.526 1.00 0.00 C ATOM 339 C LYS A 39 8.725 -0.483 -0.416 1.00 0.00 C ATOM 340 O LYS A 39 8.860 -0.556 -1.621 1.00 0.00 O ATOM 341 CB LYS A 39 9.579 -2.229 1.170 1.00 0.00 C ATOM 342 CG LYS A 39 10.696 -2.581 2.154 1.00 0.00 C ATOM 343 CD LYS A 39 10.216 -2.324 3.582 1.00 0.00 C ATOM 344 CE LYS A 39 10.067 -3.656 4.321 1.00 0.00 C ATOM 345 NZ LYS A 39 11.094 -3.613 5.397 1.00 0.00 N ATOM 0 H LYS A 39 9.642 -0.253 2.562 1.00 0.00 H new ATOM 0 HA LYS A 39 10.764 -0.871 -0.098 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.621 -2.198 1.688 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.501 -2.999 0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.982 -3.626 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.583 -1.983 1.944 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.926 -1.684 4.105 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.262 -1.796 3.566 1.00 0.00 H new ATOM 0 HE2 LYS A 39 9.065 -3.768 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.231 -4.500 3.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 11.055 -4.493 5.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.038 -3.512 4.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.908 -2.803 6.022 1.00 0.00 H new ATOM 359 N LYS A 40 7.594 -0.106 0.100 1.00 0.00 N ATOM 360 CA LYS A 40 6.464 0.227 -0.812 1.00 0.00 C ATOM 361 C LYS A 40 6.758 1.462 -1.677 1.00 0.00 C ATOM 362 O LYS A 40 6.651 1.408 -2.881 1.00 0.00 O ATOM 363 CB LYS A 40 5.253 0.501 0.079 1.00 0.00 C ATOM 364 CG LYS A 40 4.470 -0.797 0.315 1.00 0.00 C ATOM 365 CD LYS A 40 3.148 -0.750 -0.459 1.00 0.00 C ATOM 366 CE LYS A 40 2.426 0.571 -0.175 1.00 0.00 C ATOM 367 NZ LYS A 40 0.983 0.277 -0.391 1.00 0.00 N ATOM 0 H LYS A 40 7.401 -0.014 1.097 1.00 0.00 H new ATOM 0 HA LYS A 40 6.293 -0.600 -1.500 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.579 0.917 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.608 1.245 -0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.061 -1.654 -0.008 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.275 -0.927 1.379 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.338 -0.848 -1.528 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.516 -1.590 -0.169 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.611 0.911 0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.772 1.361 -0.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.407 0.920 0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 0.748 0.411 -1.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.784 -0.707 -0.118 1.00 0.00 H new ATOM 381 N LEU A 41 7.072 2.590 -1.091 1.00 0.00 N ATOM 382 CA LEU A 41 7.286 3.806 -1.944 1.00 0.00 C ATOM 383 C LEU A 41 8.725 3.966 -2.458 1.00 0.00 C ATOM 384 O LEU A 41 8.961 4.695 -3.399 1.00 0.00 O ATOM 385 CB LEU A 41 6.904 4.995 -1.049 1.00 0.00 C ATOM 386 CG LEU A 41 8.135 5.508 -0.294 1.00 0.00 C ATOM 387 CD1 LEU A 41 8.834 6.583 -1.128 1.00 0.00 C ATOM 388 CD2 LEU A 41 7.699 6.103 1.045 1.00 0.00 C ATOM 0 H LEU A 41 7.188 2.724 -0.087 1.00 0.00 H new ATOM 0 HA LEU A 41 6.682 3.731 -2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.482 5.795 -1.656 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.134 4.693 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 41 8.824 4.682 -0.117 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.710 6.948 -0.591 1.00 0.00 H new ATOM 0 HD12 LEU A 41 9.145 6.158 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.147 7.410 -1.306 1.00 0.00 H new ATOM 0 HD21 LEU A 41 8.574 6.468 1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.010 6.929 0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 41 7.202 5.336 1.639 1.00 0.00 H new ATOM 400 N GLU A 42 9.697 3.355 -1.854 1.00 0.00 N ATOM 401 CA GLU A 42 11.081 3.586 -2.356 1.00 0.00 C ATOM 402 C GLU A 42 11.439 2.665 -3.516 1.00 0.00 C ATOM 403 O GLU A 42 12.157 3.051 -4.418 1.00 0.00 O ATOM 404 CB GLU A 42 12.009 3.326 -1.173 1.00 0.00 C ATOM 405 CG GLU A 42 13.315 4.091 -1.381 1.00 0.00 C ATOM 406 CD GLU A 42 14.335 3.662 -0.323 1.00 0.00 C ATOM 407 OE1 GLU A 42 15.050 2.706 -0.572 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.384 4.299 0.716 1.00 0.00 O ATOM 0 H GLU A 42 9.605 2.723 -1.058 1.00 0.00 H new ATOM 0 HA GLU A 42 11.175 4.602 -2.739 1.00 0.00 H new ATOM 0 HB2 GLU A 42 11.532 3.642 -0.245 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.210 2.259 -1.081 1.00 0.00 H new ATOM 0 HG2 GLU A 42 13.707 3.896 -2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.135 5.164 -1.313 1.00 0.00 H new ATOM 415 N GLU A 43 10.968 1.457 -3.515 1.00 0.00 N ATOM 416 CA GLU A 43 11.322 0.550 -4.640 1.00 0.00 C ATOM 417 C GLU A 43 10.684 1.052 -5.936 1.00 0.00 C ATOM 418 O GLU A 43 10.960 0.557 -7.011 1.00 0.00 O ATOM 419 CB GLU A 43 10.769 -0.810 -4.240 1.00 0.00 C ATOM 420 CG GLU A 43 11.280 -1.165 -2.844 1.00 0.00 C ATOM 421 CD GLU A 43 12.806 -1.043 -2.810 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.286 0.062 -2.618 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.469 -2.053 -2.977 1.00 0.00 O ATOM 0 H GLU A 43 10.362 1.059 -2.798 1.00 0.00 H new ATOM 0 HA GLU A 43 12.396 0.503 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.679 -0.790 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.079 -1.569 -4.959 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.835 -0.501 -2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.980 -2.180 -2.583 1.00 0.00 H new ATOM 430 N ALA A 44 9.841 2.042 -5.841 1.00 0.00 N ATOM 431 CA ALA A 44 9.187 2.594 -7.058 1.00 0.00 C ATOM 432 C ALA A 44 8.473 3.896 -6.711 1.00 0.00 C ATOM 433 O ALA A 44 8.650 4.907 -7.361 1.00 0.00 O ATOM 434 CB ALA A 44 8.175 1.539 -7.479 1.00 0.00 C ATOM 0 H ALA A 44 9.576 2.495 -4.966 1.00 0.00 H new ATOM 0 HA ALA A 44 9.903 2.811 -7.851 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.650 1.875 -8.373 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.692 0.603 -7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.457 1.382 -6.674 1.00 0.00 H new ATOM 440 N GLY A 45 7.676 3.883 -5.678 1.00 0.00 N ATOM 441 CA GLY A 45 6.966 5.129 -5.284 1.00 0.00 C ATOM 442 C GLY A 45 5.448 4.957 -5.389 1.00 0.00 C ATOM 443 O GLY A 45 4.750 5.875 -5.768 1.00 0.00 O ATOM 0 H GLY A 45 7.487 3.068 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.235 5.396 -4.262 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.287 5.951 -5.923 1.00 0.00 H new ATOM 447 N PHE A 46 4.911 3.812 -5.039 1.00 0.00 N ATOM 448 CA PHE A 46 3.409 3.675 -5.123 1.00 0.00 C ATOM 449 C PHE A 46 2.737 4.321 -3.903 1.00 0.00 C ATOM 450 O PHE A 46 1.601 4.029 -3.596 1.00 0.00 O ATOM 451 CB PHE A 46 3.076 2.182 -5.130 1.00 0.00 C ATOM 452 CG PHE A 46 4.033 1.435 -6.005 1.00 0.00 C ATOM 453 CD1 PHE A 46 3.770 1.261 -7.369 1.00 0.00 C ATOM 454 CD2 PHE A 46 5.182 0.907 -5.442 1.00 0.00 C ATOM 455 CE1 PHE A 46 4.678 0.552 -8.165 1.00 0.00 C ATOM 456 CE2 PHE A 46 6.086 0.206 -6.223 1.00 0.00 C ATOM 457 CZ PHE A 46 5.840 0.024 -7.591 1.00 0.00 C ATOM 0 H PHE A 46 5.419 2.991 -4.710 1.00 0.00 H new ATOM 0 HA PHE A 46 3.048 4.170 -6.024 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.120 1.789 -4.114 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.057 2.033 -5.486 1.00 0.00 H new ATOM 0 HD1 PHE A 46 2.871 1.672 -7.805 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.375 1.042 -4.388 1.00 0.00 H new ATOM 0 HE1 PHE A 46 4.482 0.413 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.982 -0.201 -5.777 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.545 -0.522 -8.200 1.00 0.00 H new ATOM 467 N HIS A 47 3.429 5.178 -3.197 1.00 0.00 N ATOM 468 CA HIS A 47 2.824 5.822 -1.990 1.00 0.00 C ATOM 469 C HIS A 47 1.593 6.662 -2.360 1.00 0.00 C ATOM 470 O HIS A 47 1.584 7.866 -2.202 1.00 0.00 O ATOM 471 CB HIS A 47 3.932 6.716 -1.431 1.00 0.00 C ATOM 472 CG HIS A 47 4.445 7.624 -2.516 1.00 0.00 C ATOM 473 ND1 HIS A 47 3.726 8.722 -2.959 1.00 0.00 N ATOM 474 CD2 HIS A 47 5.605 7.615 -3.251 1.00 0.00 C ATOM 475 CE1 HIS A 47 4.453 9.323 -3.919 1.00 0.00 C ATOM 476 NE2 HIS A 47 5.607 8.690 -4.136 1.00 0.00 N ATOM 0 H HIS A 47 4.387 5.460 -3.403 1.00 0.00 H new ATOM 0 HA HIS A 47 2.478 5.081 -1.269 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.551 7.307 -0.598 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.745 6.104 -1.041 1.00 0.00 H new ATOM 0 HD1 HIS A 47 2.812 9.021 -2.619 1.00 0.00 H new ATOM 0 HD2 HIS A 47 6.395 6.885 -3.157 1.00 0.00 H new ATOM 0 HE1 HIS A 47 4.140 10.210 -4.449 1.00 0.00 H new ATOM 484 N THR A 48 0.550 6.037 -2.839 1.00 0.00 N ATOM 485 CA THR A 48 -0.679 6.804 -3.204 1.00 0.00 C ATOM 486 C THR A 48 -1.739 5.865 -3.788 1.00 0.00 C ATOM 487 O THR A 48 -1.712 4.670 -3.574 1.00 0.00 O ATOM 488 CB THR A 48 -0.225 7.822 -4.254 1.00 0.00 C ATOM 489 OG1 THR A 48 1.073 7.481 -4.722 1.00 0.00 O ATOM 490 CG2 THR A 48 -0.196 9.219 -3.631 1.00 0.00 C ATOM 0 H THR A 48 0.495 5.030 -2.993 1.00 0.00 H new ATOM 0 HA THR A 48 -1.129 7.290 -2.338 1.00 0.00 H new ATOM 0 HB THR A 48 -0.922 7.813 -5.092 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.995 6.887 -5.498 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.127 9.944 -4.378 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.194 9.481 -3.279 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.499 9.229 -2.792 1.00 0.00 H new ATOM 498 N VAL A 49 -2.677 6.401 -4.527 1.00 0.00 N ATOM 499 CA VAL A 49 -3.748 5.547 -5.129 1.00 0.00 C ATOM 500 C VAL A 49 -3.146 4.342 -5.862 1.00 0.00 C ATOM 501 O VAL A 49 -3.834 3.387 -6.167 1.00 0.00 O ATOM 502 CB VAL A 49 -4.485 6.464 -6.106 1.00 0.00 C ATOM 503 CG1 VAL A 49 -3.642 6.661 -7.367 1.00 0.00 C ATOM 504 CG2 VAL A 49 -5.823 5.825 -6.483 1.00 0.00 C ATOM 0 H VAL A 49 -2.748 7.396 -4.740 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.414 5.138 -4.369 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.658 7.432 -5.635 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.171 7.315 -8.060 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.687 7.113 -7.099 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.466 5.696 -7.842 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.353 6.475 -7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.645 4.858 -6.953 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.426 5.687 -5.586 1.00 0.00 H new ATOM 514 N GLU A 50 -1.873 4.374 -6.154 1.00 0.00 N ATOM 515 CA GLU A 50 -1.235 3.229 -6.867 1.00 0.00 C ATOM 516 C GLU A 50 -1.453 1.912 -6.107 1.00 0.00 C ATOM 517 O GLU A 50 -1.201 0.844 -6.628 1.00 0.00 O ATOM 518 CB GLU A 50 0.253 3.578 -6.910 1.00 0.00 C ATOM 519 CG GLU A 50 0.571 4.301 -8.220 1.00 0.00 C ATOM 520 CD GLU A 50 1.179 5.672 -7.913 1.00 0.00 C ATOM 521 OE1 GLU A 50 2.093 5.726 -7.107 1.00 0.00 O ATOM 522 OE2 GLU A 50 0.720 6.644 -8.489 1.00 0.00 O ATOM 0 H GLU A 50 -1.246 5.146 -5.929 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.660 3.084 -7.860 1.00 0.00 H new ATOM 0 HB2 GLU A 50 0.514 4.210 -6.061 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.852 2.671 -6.828 1.00 0.00 H new ATOM 0 HG2 GLU A 50 1.266 3.708 -8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.336 4.418 -8.812 1.00 0.00 H new ATOM 529 N ALA A 51 -1.909 1.976 -4.880 1.00 0.00 N ATOM 530 CA ALA A 51 -2.130 0.724 -4.096 1.00 0.00 C ATOM 531 C ALA A 51 -2.717 -0.379 -4.985 1.00 0.00 C ATOM 532 O ALA A 51 -2.502 -1.552 -4.753 1.00 0.00 O ATOM 533 CB ALA A 51 -3.122 1.118 -3.002 1.00 0.00 C ATOM 0 H ALA A 51 -2.137 2.841 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.201 0.328 -3.687 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.339 0.251 -2.378 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.691 1.908 -2.387 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.044 1.476 -3.459 1.00 0.00 H new ATOM 539 N VAL A 52 -3.454 -0.016 -5.997 1.00 0.00 N ATOM 540 CA VAL A 52 -4.046 -1.049 -6.894 1.00 0.00 C ATOM 541 C VAL A 52 -4.190 -0.499 -8.316 1.00 0.00 C ATOM 542 O VAL A 52 -3.707 0.571 -8.630 1.00 0.00 O ATOM 543 CB VAL A 52 -5.420 -1.354 -6.295 1.00 0.00 C ATOM 544 CG1 VAL A 52 -5.249 -2.098 -4.969 1.00 0.00 C ATOM 545 CG2 VAL A 52 -6.174 -0.045 -6.048 1.00 0.00 C ATOM 0 H VAL A 52 -3.672 0.950 -6.242 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.423 -1.941 -6.962 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.985 -1.975 -6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.229 -2.314 -4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.715 -3.032 -5.142 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.681 -1.478 -4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -7.153 -0.264 -5.621 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.607 0.576 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.300 0.486 -6.992 1.00 0.00 H new ATOM 555 N ALA A 53 -4.851 -1.222 -9.179 1.00 0.00 N ATOM 556 CA ALA A 53 -5.025 -0.744 -10.581 1.00 0.00 C ATOM 557 C ALA A 53 -3.673 -0.716 -11.301 1.00 0.00 C ATOM 558 O ALA A 53 -3.455 -1.430 -12.260 1.00 0.00 O ATOM 559 CB ALA A 53 -5.594 0.669 -10.449 1.00 0.00 C ATOM 0 H ALA A 53 -5.279 -2.125 -8.973 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.680 -1.393 -11.162 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.751 1.092 -11.441 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.544 0.630 -9.916 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.893 1.293 -9.895 1.00 0.00 H new ATOM 565 N TYR A 54 -2.764 0.104 -10.846 1.00 0.00 N ATOM 566 CA TYR A 54 -1.426 0.175 -11.502 1.00 0.00 C ATOM 567 C TYR A 54 -0.703 -1.170 -11.382 1.00 0.00 C ATOM 568 O TYR A 54 -0.618 -1.927 -12.328 1.00 0.00 O ATOM 569 CB TYR A 54 -0.670 1.262 -10.737 1.00 0.00 C ATOM 570 CG TYR A 54 -0.147 2.293 -11.708 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.036 2.992 -12.533 1.00 0.00 C ATOM 572 CD2 TYR A 54 1.228 2.550 -11.783 1.00 0.00 C ATOM 573 CE1 TYR A 54 -0.551 3.949 -13.431 1.00 0.00 C ATOM 574 CE2 TYR A 54 1.713 3.509 -12.682 1.00 0.00 C ATOM 575 CZ TYR A 54 0.822 4.207 -13.507 1.00 0.00 C ATOM 576 OH TYR A 54 1.298 5.151 -14.393 1.00 0.00 O ATOM 0 H TYR A 54 -2.890 0.728 -10.049 1.00 0.00 H new ATOM 0 HA TYR A 54 -1.499 0.400 -12.566 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -1.330 1.735 -10.009 1.00 0.00 H new ATOM 0 HB3 TYR A 54 0.156 0.821 -10.179 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.096 2.793 -12.476 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.914 2.009 -11.148 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -1.237 4.489 -14.066 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.773 3.710 -12.739 1.00 0.00 H new ATOM 0 HH TYR A 54 2.273 5.208 -14.318 1.00 0.00 H new ATOM 586 N ALA A 55 -0.185 -1.474 -10.222 1.00 0.00 N ATOM 587 CA ALA A 55 0.529 -2.770 -10.037 1.00 0.00 C ATOM 588 C ALA A 55 -0.074 -3.535 -8.858 1.00 0.00 C ATOM 589 O ALA A 55 -0.539 -2.941 -7.905 1.00 0.00 O ATOM 590 CB ALA A 55 1.982 -2.389 -9.744 1.00 0.00 C ATOM 0 H ALA A 55 -0.226 -0.880 -9.394 1.00 0.00 H new ATOM 0 HA ALA A 55 0.449 -3.415 -10.912 1.00 0.00 H new ATOM 0 HB1 ALA A 55 2.572 -3.293 -9.596 1.00 0.00 H new ATOM 0 HB2 ALA A 55 2.387 -1.825 -10.584 1.00 0.00 H new ATOM 0 HB3 ALA A 55 2.023 -1.777 -8.843 1.00 0.00 H new ATOM 596 N PRO A 56 -0.046 -4.836 -8.961 1.00 0.00 N ATOM 597 CA PRO A 56 -0.597 -5.696 -7.887 1.00 0.00 C ATOM 598 C PRO A 56 0.302 -5.638 -6.651 1.00 0.00 C ATOM 599 O PRO A 56 1.482 -5.918 -6.712 1.00 0.00 O ATOM 600 CB PRO A 56 -0.601 -7.090 -8.509 1.00 0.00 C ATOM 601 CG PRO A 56 0.451 -7.041 -9.570 1.00 0.00 C ATOM 602 CD PRO A 56 0.500 -5.621 -10.073 1.00 0.00 C ATOM 0 HA PRO A 56 -1.588 -5.390 -7.551 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.377 -7.855 -7.766 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.577 -7.332 -8.931 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.419 -7.342 -9.168 1.00 0.00 H new ATOM 0 HG3 PRO A 56 0.214 -7.730 -10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.519 -5.317 -10.315 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.093 -5.497 -10.979 1.00 0.00 H new ATOM 610 N LYS A 57 -0.250 -5.264 -5.530 1.00 0.00 N ATOM 611 CA LYS A 57 0.565 -5.172 -4.287 1.00 0.00 C ATOM 612 C LYS A 57 1.521 -6.369 -4.180 1.00 0.00 C ATOM 613 O LYS A 57 2.560 -6.285 -3.560 1.00 0.00 O ATOM 614 CB LYS A 57 -0.466 -5.142 -3.141 1.00 0.00 C ATOM 615 CG LYS A 57 -0.577 -6.508 -2.447 1.00 0.00 C ATOM 616 CD LYS A 57 -1.303 -7.496 -3.361 1.00 0.00 C ATOM 617 CE LYS A 57 -2.596 -7.954 -2.684 1.00 0.00 C ATOM 618 NZ LYS A 57 -3.635 -7.881 -3.748 1.00 0.00 N ATOM 0 H LYS A 57 -1.234 -5.017 -5.421 1.00 0.00 H new ATOM 0 HA LYS A 57 1.203 -4.289 -4.264 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.179 -4.385 -2.412 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.440 -4.852 -3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.417 -6.885 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.117 -6.405 -1.506 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.527 -7.026 -4.319 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.664 -8.354 -3.569 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.500 -8.968 -2.295 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.849 -7.311 -1.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.552 -8.181 -3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.709 -6.903 -4.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.371 -8.508 -4.535 1.00 0.00 H new ATOM 632 N LYS A 58 1.175 -7.479 -4.772 1.00 0.00 N ATOM 633 CA LYS A 58 2.065 -8.674 -4.694 1.00 0.00 C ATOM 634 C LYS A 58 3.282 -8.502 -5.610 1.00 0.00 C ATOM 635 O LYS A 58 4.323 -9.094 -5.401 1.00 0.00 O ATOM 636 CB LYS A 58 1.200 -9.840 -5.173 1.00 0.00 C ATOM 637 CG LYS A 58 2.072 -11.083 -5.358 1.00 0.00 C ATOM 638 CD LYS A 58 2.413 -11.253 -6.840 1.00 0.00 C ATOM 639 CE LYS A 58 2.313 -12.733 -7.221 1.00 0.00 C ATOM 640 NZ LYS A 58 3.674 -13.285 -6.972 1.00 0.00 N ATOM 0 H LYS A 58 0.316 -7.611 -5.306 1.00 0.00 H new ATOM 0 HA LYS A 58 2.450 -8.831 -3.687 1.00 0.00 H new ATOM 0 HB2 LYS A 58 0.410 -10.042 -4.449 1.00 0.00 H new ATOM 0 HB3 LYS A 58 0.712 -9.582 -6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.986 -10.989 -4.772 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.548 -11.966 -4.991 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.731 -10.662 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.419 -10.883 -7.037 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.562 -13.246 -6.620 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.022 -12.854 -8.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.687 -14.297 -7.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.366 -12.782 -7.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.920 -13.162 -5.969 1.00 0.00 H new ATOM 654 N GLU A 59 3.163 -7.689 -6.620 1.00 0.00 N ATOM 655 CA GLU A 59 4.315 -7.482 -7.543 1.00 0.00 C ATOM 656 C GLU A 59 5.268 -6.457 -6.946 1.00 0.00 C ATOM 657 O GLU A 59 6.451 -6.698 -6.813 1.00 0.00 O ATOM 658 CB GLU A 59 3.704 -6.968 -8.846 1.00 0.00 C ATOM 659 CG GLU A 59 4.811 -6.419 -9.748 1.00 0.00 C ATOM 660 CD GLU A 59 4.384 -6.544 -11.212 1.00 0.00 C ATOM 661 OE1 GLU A 59 3.334 -6.021 -11.549 1.00 0.00 O ATOM 662 OE2 GLU A 59 5.112 -7.160 -11.971 1.00 0.00 O ATOM 0 H GLU A 59 2.321 -7.160 -6.847 1.00 0.00 H new ATOM 0 HA GLU A 59 4.887 -8.395 -7.709 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.173 -7.773 -9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.973 -6.188 -8.634 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.010 -5.376 -9.504 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.738 -6.968 -9.580 1.00 0.00 H new ATOM 669 N LEU A 60 4.767 -5.321 -6.562 1.00 0.00 N ATOM 670 CA LEU A 60 5.659 -4.308 -5.952 1.00 0.00 C ATOM 671 C LEU A 60 6.382 -4.954 -4.765 1.00 0.00 C ATOM 672 O LEU A 60 7.593 -5.054 -4.741 1.00 0.00 O ATOM 673 CB LEU A 60 4.722 -3.163 -5.519 1.00 0.00 C ATOM 674 CG LEU A 60 5.034 -2.684 -4.092 1.00 0.00 C ATOM 675 CD1 LEU A 60 6.520 -2.314 -3.968 1.00 0.00 C ATOM 676 CD2 LEU A 60 4.186 -1.451 -3.777 1.00 0.00 C ATOM 0 H LEU A 60 3.786 -5.053 -6.644 1.00 0.00 H new ATOM 0 HA LEU A 60 6.430 -3.930 -6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.822 -2.329 -6.213 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.687 -3.500 -5.572 1.00 0.00 H new ATOM 0 HG LEU A 60 4.805 -3.487 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.727 -1.976 -2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 60 7.132 -3.187 -4.192 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.756 -1.515 -4.671 1.00 0.00 H new ATOM 0 HD21 LEU A 60 4.404 -1.108 -2.766 1.00 0.00 H new ATOM 0 HD22 LEU A 60 4.419 -0.658 -4.487 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.129 -1.707 -3.853 1.00 0.00 H new ATOM 688 N ILE A 61 5.646 -5.391 -3.780 1.00 0.00 N ATOM 689 CA ILE A 61 6.290 -6.027 -2.601 1.00 0.00 C ATOM 690 C ILE A 61 7.342 -7.014 -3.081 1.00 0.00 C ATOM 691 O ILE A 61 8.375 -7.188 -2.464 1.00 0.00 O ATOM 692 CB ILE A 61 5.170 -6.760 -1.882 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.526 -7.744 -2.858 1.00 0.00 C ATOM 694 CG2 ILE A 61 4.130 -5.750 -1.388 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.310 -9.060 -2.837 1.00 0.00 C ATOM 0 H ILE A 61 4.628 -5.334 -3.743 1.00 0.00 H new ATOM 0 HA ILE A 61 6.781 -5.305 -1.949 1.00 0.00 H new ATOM 0 HB ILE A 61 5.565 -7.302 -1.023 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.487 -7.921 -2.581 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.521 -7.326 -3.865 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.327 -6.277 -0.872 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.602 -5.048 -0.701 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.719 -5.205 -2.238 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.855 -9.766 -3.532 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.342 -8.873 -3.134 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.292 -9.478 -1.831 1.00 0.00 H new ATOM 707 N ASN A 62 7.095 -7.657 -4.190 1.00 0.00 N ATOM 708 CA ASN A 62 8.092 -8.622 -4.714 1.00 0.00 C ATOM 709 C ASN A 62 9.476 -7.972 -4.754 1.00 0.00 C ATOM 710 O ASN A 62 10.476 -8.650 -4.870 1.00 0.00 O ATOM 711 CB ASN A 62 7.624 -8.974 -6.128 1.00 0.00 C ATOM 712 CG ASN A 62 8.286 -10.281 -6.570 1.00 0.00 C ATOM 713 OD1 ASN A 62 9.452 -10.299 -6.908 1.00 0.00 O ATOM 714 ND2 ASN A 62 7.585 -11.381 -6.586 1.00 0.00 N ATOM 0 H ASN A 62 6.249 -7.554 -4.751 1.00 0.00 H new ATOM 0 HA ASN A 62 8.169 -9.510 -4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.539 -9.077 -6.149 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.881 -8.171 -6.819 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.016 -12.256 -6.882 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.605 -11.366 -6.302 1.00 0.00 H new ATOM 721 N ILE A 63 9.560 -6.664 -4.651 1.00 0.00 N ATOM 722 CA ILE A 63 10.911 -6.039 -4.681 1.00 0.00 C ATOM 723 C ILE A 63 11.772 -6.676 -3.596 1.00 0.00 C ATOM 724 O ILE A 63 12.478 -7.638 -3.827 1.00 0.00 O ATOM 725 CB ILE A 63 10.684 -4.549 -4.414 1.00 0.00 C ATOM 726 CG1 ILE A 63 10.312 -3.858 -5.729 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.967 -3.923 -3.862 1.00 0.00 C ATOM 728 CD1 ILE A 63 9.236 -2.804 -5.469 1.00 0.00 C ATOM 0 H ILE A 63 8.773 -6.023 -4.550 1.00 0.00 H new ATOM 0 HA ILE A 63 11.426 -6.181 -5.631 1.00 0.00 H new ATOM 0 HB ILE A 63 9.881 -4.427 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 63 11.194 -3.391 -6.168 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.949 -4.593 -6.448 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.802 -2.862 -3.673 1.00 0.00 H new ATOM 0 HG22 ILE A 63 12.243 -4.419 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.771 -4.041 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.973 -2.314 -6.406 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.351 -3.283 -5.049 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.615 -2.063 -4.766 1.00 0.00 H new ATOM 740 N LYS A 64 11.701 -6.156 -2.416 1.00 0.00 N ATOM 741 CA LYS A 64 12.496 -6.735 -1.300 1.00 0.00 C ATOM 742 C LYS A 64 12.088 -8.195 -1.096 1.00 0.00 C ATOM 743 O LYS A 64 12.828 -8.990 -0.553 1.00 0.00 O ATOM 744 CB LYS A 64 12.142 -5.896 -0.074 1.00 0.00 C ATOM 745 CG LYS A 64 13.425 -5.346 0.550 1.00 0.00 C ATOM 746 CD LYS A 64 13.982 -4.228 -0.333 1.00 0.00 C ATOM 747 CE LYS A 64 15.427 -4.553 -0.719 1.00 0.00 C ATOM 748 NZ LYS A 64 15.611 -3.945 -2.066 1.00 0.00 N ATOM 0 H LYS A 64 11.126 -5.351 -2.168 1.00 0.00 H new ATOM 0 HA LYS A 64 13.569 -6.719 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.482 -5.076 -0.358 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.602 -6.503 0.653 1.00 0.00 H new ATOM 0 HG2 LYS A 64 13.221 -4.966 1.551 1.00 0.00 H new ATOM 0 HG3 LYS A 64 14.162 -6.142 0.655 1.00 0.00 H new ATOM 0 HD2 LYS A 64 13.371 -4.119 -1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.941 -3.277 0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 64 16.131 -4.137 0.002 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.596 -5.629 -0.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 16.528 -3.455 -2.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 15.587 -4.691 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 14.847 -3.263 -2.247 1.00 0.00 H new ATOM 762 N GLY A 65 10.912 -8.552 -1.539 1.00 0.00 N ATOM 763 CA GLY A 65 10.451 -9.958 -1.385 1.00 0.00 C ATOM 764 C GLY A 65 9.287 -10.027 -0.394 1.00 0.00 C ATOM 765 O GLY A 65 9.019 -11.063 0.182 1.00 0.00 O ATOM 0 H GLY A 65 10.251 -7.928 -2.001 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.139 -10.354 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 65 11.274 -10.582 -1.035 1.00 0.00 H new ATOM 769 N ILE A 66 8.591 -8.940 -0.178 1.00 0.00 N ATOM 770 CA ILE A 66 7.455 -8.979 0.784 1.00 0.00 C ATOM 771 C ILE A 66 6.187 -9.513 0.107 1.00 0.00 C ATOM 772 O ILE A 66 6.230 -10.423 -0.696 1.00 0.00 O ATOM 773 CB ILE A 66 7.218 -7.535 1.248 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.508 -6.707 1.238 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.677 -7.578 2.669 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.431 -5.642 0.140 1.00 0.00 C ATOM 0 H ILE A 66 8.759 -8.037 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 66 7.688 -9.638 1.621 1.00 0.00 H new ATOM 0 HB ILE A 66 6.515 -7.064 0.561 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.654 -6.232 2.208 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.367 -7.356 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.500 -6.562 3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.741 -8.136 2.685 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.402 -8.067 3.320 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.350 -5.056 0.137 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.306 -6.126 -0.828 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.582 -4.985 0.329 1.00 0.00 H new ATOM 788 N SER A 67 5.059 -8.937 0.445 1.00 0.00 N ATOM 789 CA SER A 67 3.750 -9.358 -0.132 1.00 0.00 C ATOM 790 C SER A 67 2.652 -8.662 0.675 1.00 0.00 C ATOM 791 O SER A 67 2.742 -7.479 0.960 1.00 0.00 O ATOM 792 CB SER A 67 3.688 -10.879 0.045 1.00 0.00 C ATOM 793 OG SER A 67 3.969 -11.206 1.400 1.00 0.00 O ATOM 0 H SER A 67 4.993 -8.171 1.116 1.00 0.00 H new ATOM 0 HA SER A 67 3.628 -9.097 -1.183 1.00 0.00 H new ATOM 0 HB2 SER A 67 2.701 -11.249 -0.233 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.408 -11.363 -0.615 1.00 0.00 H new ATOM 0 HG SER A 67 3.929 -12.178 1.517 1.00 0.00 H new ATOM 799 N GLU A 68 1.640 -9.370 1.088 1.00 0.00 N ATOM 800 CA GLU A 68 0.592 -8.716 1.909 1.00 0.00 C ATOM 801 C GLU A 68 1.258 -8.117 3.151 1.00 0.00 C ATOM 802 O GLU A 68 0.703 -7.279 3.830 1.00 0.00 O ATOM 803 CB GLU A 68 -0.371 -9.838 2.301 1.00 0.00 C ATOM 804 CG GLU A 68 -1.295 -10.158 1.124 1.00 0.00 C ATOM 805 CD GLU A 68 -2.362 -11.157 1.574 1.00 0.00 C ATOM 806 OE1 GLU A 68 -3.235 -10.761 2.329 1.00 0.00 O ATOM 807 OE2 GLU A 68 -2.287 -12.301 1.159 1.00 0.00 O ATOM 0 H GLU A 68 1.496 -10.361 0.895 1.00 0.00 H new ATOM 0 HA GLU A 68 0.069 -7.916 1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.189 -10.728 2.588 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.960 -9.539 3.168 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.766 -9.246 0.759 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -0.719 -10.572 0.297 1.00 0.00 H new ATOM 814 N ALA A 69 2.455 -8.556 3.451 1.00 0.00 N ATOM 815 CA ALA A 69 3.169 -8.029 4.647 1.00 0.00 C ATOM 816 C ALA A 69 2.964 -6.520 4.782 1.00 0.00 C ATOM 817 O ALA A 69 2.151 -6.060 5.561 1.00 0.00 O ATOM 818 CB ALA A 69 4.640 -8.350 4.401 1.00 0.00 C ATOM 0 H ALA A 69 2.967 -9.258 2.916 1.00 0.00 H new ATOM 0 HA ALA A 69 2.799 -8.475 5.570 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.236 -7.992 5.241 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.765 -9.428 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.971 -7.859 3.486 1.00 0.00 H new ATOM 824 N LYS A 70 3.684 -5.747 4.022 1.00 0.00 N ATOM 825 CA LYS A 70 3.525 -4.272 4.106 1.00 0.00 C ATOM 826 C LYS A 70 2.362 -3.837 3.217 1.00 0.00 C ATOM 827 O LYS A 70 1.529 -3.047 3.612 1.00 0.00 O ATOM 828 CB LYS A 70 4.844 -3.681 3.596 1.00 0.00 C ATOM 829 CG LYS A 70 6.025 -4.544 4.055 1.00 0.00 C ATOM 830 CD LYS A 70 5.884 -4.869 5.547 1.00 0.00 C ATOM 831 CE LYS A 70 7.161 -5.557 6.041 1.00 0.00 C ATOM 832 NZ LYS A 70 7.133 -5.418 7.526 1.00 0.00 N ATOM 0 H LYS A 70 4.375 -6.073 3.347 1.00 0.00 H new ATOM 0 HA LYS A 70 3.310 -3.936 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.828 -3.623 2.508 1.00 0.00 H new ATOM 0 HB3 LYS A 70 4.962 -2.663 3.967 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.060 -5.466 3.475 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.963 -4.018 3.875 1.00 0.00 H new ATOM 0 HD2 LYS A 70 5.707 -3.955 6.114 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.023 -5.517 5.710 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.183 -6.606 5.744 1.00 0.00 H new ATOM 0 HE3 LYS A 70 8.049 -5.088 5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.076 -5.142 7.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.441 -4.689 7.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.862 -6.326 7.955 1.00 0.00 H new ATOM 846 N ALA A 71 2.295 -4.351 2.020 1.00 0.00 N ATOM 847 CA ALA A 71 1.175 -3.961 1.113 1.00 0.00 C ATOM 848 C ALA A 71 -0.170 -4.099 1.834 1.00 0.00 C ATOM 849 O ALA A 71 -0.899 -3.140 1.996 1.00 0.00 O ATOM 850 CB ALA A 71 1.251 -4.933 -0.061 1.00 0.00 C ATOM 0 H ALA A 71 2.961 -5.019 1.631 1.00 0.00 H new ATOM 0 HA ALA A 71 1.257 -2.924 0.789 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.456 -4.708 -0.772 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.218 -4.833 -0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.133 -5.954 0.303 1.00 0.00 H new ATOM 856 N ASP A 72 -0.504 -5.283 2.264 1.00 0.00 N ATOM 857 CA ASP A 72 -1.805 -5.480 2.970 1.00 0.00 C ATOM 858 C ASP A 72 -1.910 -4.527 4.162 1.00 0.00 C ATOM 859 O ASP A 72 -2.880 -3.810 4.305 1.00 0.00 O ATOM 860 CB ASP A 72 -1.793 -6.931 3.446 1.00 0.00 C ATOM 861 CG ASP A 72 -3.231 -7.436 3.580 1.00 0.00 C ATOM 862 OD1 ASP A 72 -3.799 -7.821 2.571 1.00 0.00 O ATOM 863 OD2 ASP A 72 -3.741 -7.428 4.689 1.00 0.00 O ATOM 0 H ASP A 72 0.065 -6.123 2.159 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.656 -5.275 2.321 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.243 -7.552 2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.279 -7.006 4.404 1.00 0.00 H new ATOM 868 N LYS A 73 -0.923 -4.511 5.019 1.00 0.00 N ATOM 869 CA LYS A 73 -0.980 -3.596 6.196 1.00 0.00 C ATOM 870 C LYS A 73 -1.507 -2.222 5.766 1.00 0.00 C ATOM 871 O LYS A 73 -2.103 -1.501 6.543 1.00 0.00 O ATOM 872 CB LYS A 73 0.465 -3.491 6.681 1.00 0.00 C ATOM 873 CG LYS A 73 0.521 -2.629 7.942 1.00 0.00 C ATOM 874 CD LYS A 73 -0.160 -3.366 9.097 1.00 0.00 C ATOM 875 CE LYS A 73 -0.146 -2.480 10.344 1.00 0.00 C ATOM 876 NZ LYS A 73 1.260 -2.004 10.460 1.00 0.00 N ATOM 0 H LYS A 73 -0.085 -5.089 4.955 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.646 -3.962 6.978 1.00 0.00 H new ATOM 0 HB2 LYS A 73 0.862 -4.484 6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.090 -3.055 5.902 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.557 -2.408 8.198 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.026 -1.674 7.764 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -1.186 -3.618 8.828 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.356 -4.305 9.299 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -0.839 -1.645 10.243 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -0.448 -3.039 11.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 1.508 -1.895 11.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 1.898 -2.696 10.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.357 -1.087 9.978 1.00 0.00 H new ATOM 890 N ILE A 74 -1.292 -1.856 4.530 1.00 0.00 N ATOM 891 CA ILE A 74 -1.778 -0.532 4.048 1.00 0.00 C ATOM 892 C ILE A 74 -3.286 -0.598 3.751 1.00 0.00 C ATOM 893 O ILE A 74 -4.066 0.161 4.290 1.00 0.00 O ATOM 894 CB ILE A 74 -0.938 -0.252 2.784 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.093 1.003 3.010 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.830 -0.042 1.553 1.00 0.00 C ATOM 897 CD1 ILE A 74 -0.988 2.241 2.939 1.00 0.00 C ATOM 0 H ILE A 74 -0.801 -2.417 3.834 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.661 0.266 4.781 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.300 -1.116 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.399 0.953 3.981 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.693 1.066 2.257 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.206 0.153 0.681 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.427 -0.937 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.491 0.808 1.723 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.386 3.135 3.100 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -1.460 2.293 1.958 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.757 2.178 3.709 1.00 0.00 H new ATOM 909 N LEU A 75 -3.698 -1.496 2.899 1.00 0.00 N ATOM 910 CA LEU A 75 -5.151 -1.600 2.577 1.00 0.00 C ATOM 911 C LEU A 75 -5.974 -1.669 3.864 1.00 0.00 C ATOM 912 O LEU A 75 -7.145 -1.349 3.879 1.00 0.00 O ATOM 913 CB LEU A 75 -5.293 -2.894 1.773 1.00 0.00 C ATOM 914 CG LEU A 75 -5.659 -2.558 0.326 1.00 0.00 C ATOM 915 CD1 LEU A 75 -6.996 -1.816 0.292 1.00 0.00 C ATOM 916 CD2 LEU A 75 -4.571 -1.669 -0.280 1.00 0.00 C ATOM 0 H LEU A 75 -3.095 -2.160 2.413 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.512 -0.737 2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.360 -3.457 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.061 -3.527 2.216 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.742 -3.480 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -7.254 -1.578 -0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.773 -2.446 0.724 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.915 -0.894 0.868 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.830 -1.429 -1.311 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.490 -0.748 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.617 -2.196 -0.259 1.00 0.00 H new ATOM 928 N ALA A 76 -5.369 -2.074 4.947 1.00 0.00 N ATOM 929 CA ALA A 76 -6.122 -2.149 6.230 1.00 0.00 C ATOM 930 C ALA A 76 -6.324 -0.740 6.791 1.00 0.00 C ATOM 931 O ALA A 76 -7.437 -0.285 6.976 1.00 0.00 O ATOM 932 CB ALA A 76 -5.241 -2.980 7.163 1.00 0.00 C ATOM 0 H ALA A 76 -4.390 -2.355 4.999 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.110 -2.594 6.110 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.730 -3.080 8.132 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.085 -3.969 6.731 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.279 -2.485 7.292 1.00 0.00 H new ATOM 938 N GLU A 77 -5.254 -0.041 7.053 1.00 0.00 N ATOM 939 CA GLU A 77 -5.383 1.343 7.591 1.00 0.00 C ATOM 940 C GLU A 77 -6.019 2.254 6.538 1.00 0.00 C ATOM 941 O GLU A 77 -6.856 3.085 6.841 1.00 0.00 O ATOM 942 CB GLU A 77 -3.951 1.784 7.896 1.00 0.00 C ATOM 943 CG GLU A 77 -3.429 1.007 9.104 1.00 0.00 C ATOM 944 CD GLU A 77 -3.319 1.945 10.307 1.00 0.00 C ATOM 945 OE1 GLU A 77 -4.352 2.352 10.812 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.203 2.240 10.704 1.00 0.00 O ATOM 0 H GLU A 77 -4.297 -0.368 6.918 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.017 1.390 8.477 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.312 1.606 7.031 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.923 2.855 8.098 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.100 0.180 9.335 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -2.455 0.574 8.877 1.00 0.00 H new ATOM 953 N ALA A 78 -5.633 2.101 5.300 1.00 0.00 N ATOM 954 CA ALA A 78 -6.221 2.953 4.229 1.00 0.00 C ATOM 955 C ALA A 78 -7.737 2.747 4.172 1.00 0.00 C ATOM 956 O ALA A 78 -8.489 3.650 3.864 1.00 0.00 O ATOM 957 CB ALA A 78 -5.562 2.472 2.933 1.00 0.00 C ATOM 0 H ALA A 78 -4.938 1.424 4.985 1.00 0.00 H new ATOM 0 HA ALA A 78 -6.049 4.016 4.400 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.944 3.053 2.093 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.482 2.603 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.790 1.417 2.778 1.00 0.00 H new ATOM 963 N ALA A 79 -8.192 1.562 4.468 1.00 0.00 N ATOM 964 CA ALA A 79 -9.659 1.295 4.431 1.00 0.00 C ATOM 965 C ALA A 79 -10.362 1.992 5.601 1.00 0.00 C ATOM 966 O ALA A 79 -11.517 2.357 5.509 1.00 0.00 O ATOM 967 CB ALA A 79 -9.787 -0.224 4.561 1.00 0.00 C ATOM 0 H ALA A 79 -7.613 0.766 4.734 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.120 1.671 3.518 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.840 -0.503 4.542 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.269 -0.705 3.731 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.343 -0.547 5.502 1.00 0.00 H new ATOM 973 N LYS A 80 -9.682 2.173 6.702 1.00 0.00 N ATOM 974 CA LYS A 80 -10.331 2.837 7.872 1.00 0.00 C ATOM 975 C LYS A 80 -9.544 4.078 8.312 1.00 0.00 C ATOM 976 O LYS A 80 -9.514 4.417 9.478 1.00 0.00 O ATOM 977 CB LYS A 80 -10.319 1.780 8.979 1.00 0.00 C ATOM 978 CG LYS A 80 -11.751 1.312 9.256 1.00 0.00 C ATOM 979 CD LYS A 80 -11.811 0.613 10.618 1.00 0.00 C ATOM 980 CE LYS A 80 -13.223 0.069 10.849 1.00 0.00 C ATOM 981 NZ LYS A 80 -13.070 -0.966 11.910 1.00 0.00 N ATOM 0 H LYS A 80 -8.712 1.892 6.842 1.00 0.00 H new ATOM 0 HA LYS A 80 -11.337 3.181 7.633 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.700 0.934 8.681 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.879 2.194 9.886 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.431 2.164 9.243 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.079 0.630 8.472 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.086 -0.200 10.654 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.545 1.313 11.410 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -13.904 0.860 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.635 -0.360 9.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -13.998 -1.385 12.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -12.422 -1.709 11.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -12.683 -0.527 12.770 1.00 0.00 H new ATOM 995 N LEU A 81 -8.908 4.763 7.399 1.00 0.00 N ATOM 996 CA LEU A 81 -8.133 5.980 7.798 1.00 0.00 C ATOM 997 C LEU A 81 -7.894 6.920 6.603 1.00 0.00 C ATOM 998 O LEU A 81 -7.705 8.108 6.775 1.00 0.00 O ATOM 999 CB LEU A 81 -6.805 5.442 8.332 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.300 6.352 9.455 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -5.418 5.546 10.412 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -5.485 7.498 8.854 1.00 0.00 C ATOM 0 H LEU A 81 -8.889 4.538 6.404 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.673 6.571 8.538 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.935 4.426 8.704 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.070 5.396 7.529 1.00 0.00 H new ATOM 0 HG LEU A 81 -7.151 6.758 10.002 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.060 6.195 11.211 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -5.999 4.729 10.841 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.567 5.138 9.866 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.125 8.146 9.653 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.635 7.092 8.306 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.113 8.074 8.174 1.00 0.00 H new ATOM 1014 N VAL A 82 -7.889 6.408 5.401 1.00 0.00 N ATOM 1015 CA VAL A 82 -7.648 7.286 4.218 1.00 0.00 C ATOM 1016 C VAL A 82 -8.925 8.057 3.820 1.00 0.00 C ATOM 1017 O VAL A 82 -8.852 9.222 3.486 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.184 6.318 3.111 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -8.008 6.496 1.829 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -5.709 6.585 2.800 1.00 0.00 C ATOM 0 H VAL A 82 -8.041 5.422 5.187 1.00 0.00 H new ATOM 0 HA VAL A 82 -6.906 8.059 4.416 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.324 5.297 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -7.655 5.799 1.070 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.059 6.299 2.042 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -7.897 7.517 1.464 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -5.373 5.904 2.018 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.589 7.614 2.462 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -5.113 6.427 3.699 1.00 0.00 H new