USER MOD reduce.3.24.130724 H: found=0, std=0, add=471, rem=0, adj=8 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 Single : A 26 SER OG : rot -72:sc= 0.106! USER MOD Single : A 30 GLN : amide:sc= -2.1 K(o=-2.1,f=-0.16) USER MOD Single : A 31 CYS SG : rot -30:sc= 0.939 USER MOD Single : A 34 ASN : amide:sc= -0.684 K(o=-0.68,f=-1.3) USER MOD Single : A 36 ASN : amide:sc= -5.08! C(o=-5.1!,f=-13!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= -0.117 (180deg=-0.117) USER MOD Single : A 40 LYS NZ :NH3+ -151:sc= -0.246 (180deg=-1.93) USER MOD Single : A 47 HIS : no HD1:sc= -8.49! K(o=-8.5!,f=-3) USER MOD Single : A 48 THR OG1 : rot 69:sc= 0.0212! USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 168:sc=-0.00332 (180deg=-0.198) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.213 K(o=-0.21,f=-2.7!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0.343! USER MOD Single : A 70 LYS NZ :NH3+ 174:sc= -4.47! (180deg=-4.65!) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 115 N PRO A 24 -6.033 6.946 -2.409 1.00 0.00 N ATOM 116 CA PRO A 24 -4.957 7.840 -1.920 1.00 0.00 C ATOM 117 C PRO A 24 -4.132 7.075 -0.883 1.00 0.00 C ATOM 118 O PRO A 24 -4.063 7.447 0.271 1.00 0.00 O ATOM 119 CB PRO A 24 -5.708 9.002 -1.278 1.00 0.00 C ATOM 120 CG PRO A 24 -7.034 8.430 -0.899 1.00 0.00 C ATOM 121 CD PRO A 24 -7.346 7.359 -1.909 1.00 0.00 C ATOM 0 HA PRO A 24 -4.272 8.184 -2.695 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -5.177 9.384 -0.406 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -5.819 9.834 -1.973 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.003 8.015 0.108 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.804 9.202 -0.902 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.879 6.525 -1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.977 7.740 -2.712 1.00 0.00 H new ATOM 129 N ILE A 25 -3.515 5.996 -1.292 1.00 0.00 N ATOM 130 CA ILE A 25 -2.704 5.187 -0.341 1.00 0.00 C ATOM 131 C ILE A 25 -1.431 5.941 0.034 1.00 0.00 C ATOM 132 O ILE A 25 -0.648 5.499 0.851 1.00 0.00 O ATOM 133 CB ILE A 25 -2.368 3.905 -1.105 1.00 0.00 C ATOM 134 CG1 ILE A 25 -3.635 3.350 -1.772 1.00 0.00 C ATOM 135 CG2 ILE A 25 -1.809 2.863 -0.138 1.00 0.00 C ATOM 136 CD1 ILE A 25 -4.810 3.417 -0.793 1.00 0.00 C ATOM 0 H ILE A 25 -3.540 5.641 -2.248 1.00 0.00 H new ATOM 0 HA ILE A 25 -3.234 4.979 0.589 1.00 0.00 H new ATOM 0 HB ILE A 25 -1.625 4.130 -1.870 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -3.865 3.924 -2.670 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.470 2.319 -2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.570 1.951 -0.684 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.906 3.251 0.333 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.552 2.643 0.629 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -5.706 3.022 -1.272 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.580 2.824 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.982 4.453 -0.501 1.00 0.00 H new ATOM 148 N SER A 26 -1.219 7.074 -0.569 1.00 0.00 N ATOM 149 CA SER A 26 0.010 7.862 -0.263 1.00 0.00 C ATOM 150 C SER A 26 0.036 8.297 1.207 1.00 0.00 C ATOM 151 O SER A 26 0.855 7.845 1.978 1.00 0.00 O ATOM 152 CB SER A 26 -0.058 9.078 -1.186 1.00 0.00 C ATOM 153 OG SER A 26 -1.030 9.991 -0.692 1.00 0.00 O ATOM 0 H SER A 26 -1.842 7.491 -1.261 1.00 0.00 H new ATOM 0 HA SER A 26 0.915 7.276 -0.422 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.917 9.562 -1.241 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.317 8.766 -2.198 1.00 0.00 H new ATOM 0 HG SER A 26 -1.927 9.627 -0.842 1.00 0.00 H new ATOM 159 N ARG A 27 -0.843 9.180 1.595 1.00 0.00 N ATOM 160 CA ARG A 27 -0.860 9.662 3.013 1.00 0.00 C ATOM 161 C ARG A 27 -0.540 8.528 3.996 1.00 0.00 C ATOM 162 O ARG A 27 0.256 8.688 4.900 1.00 0.00 O ATOM 163 CB ARG A 27 -2.281 10.174 3.236 1.00 0.00 C ATOM 164 CG ARG A 27 -2.382 11.618 2.744 1.00 0.00 C ATOM 165 CD ARG A 27 -2.819 12.519 3.900 1.00 0.00 C ATOM 166 NE ARG A 27 -3.155 13.823 3.264 1.00 0.00 N ATOM 167 CZ ARG A 27 -2.203 14.616 2.849 1.00 0.00 C ATOM 168 NH1 ARG A 27 -0.952 14.269 2.990 1.00 0.00 N ATOM 169 NH2 ARG A 27 -2.503 15.758 2.296 1.00 0.00 N ATOM 0 H ARG A 27 -1.554 9.592 0.991 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.106 10.431 3.183 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -2.994 9.545 2.702 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -2.537 10.120 4.294 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -1.419 11.949 2.354 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.098 11.686 1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.679 12.101 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.023 12.632 4.636 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.131 14.098 3.152 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.716 13.377 3.425 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.211 14.890 2.665 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -3.480 16.031 2.188 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -1.761 16.378 1.972 1.00 0.00 H new ATOM 183 N LEU A 28 -1.158 7.393 3.839 1.00 0.00 N ATOM 184 CA LEU A 28 -0.893 6.263 4.780 1.00 0.00 C ATOM 185 C LEU A 28 0.602 5.935 4.843 1.00 0.00 C ATOM 186 O LEU A 28 1.285 6.291 5.783 1.00 0.00 O ATOM 187 CB LEU A 28 -1.676 5.083 4.206 1.00 0.00 C ATOM 188 CG LEU A 28 -3.052 5.007 4.868 1.00 0.00 C ATOM 189 CD1 LEU A 28 -2.886 4.919 6.387 1.00 0.00 C ATOM 190 CD2 LEU A 28 -3.858 6.258 4.512 1.00 0.00 C ATOM 0 H LEU A 28 -1.835 7.195 3.102 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.195 6.506 5.799 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.786 5.197 3.128 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.129 4.155 4.374 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.579 4.122 4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.868 4.865 6.858 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.313 4.027 6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.359 5.803 6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -4.839 6.205 4.983 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -3.332 7.144 4.868 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.978 6.318 3.430 1.00 0.00 H new ATOM 202 N GLU A 29 1.112 5.244 3.865 1.00 0.00 N ATOM 203 CA GLU A 29 2.559 4.875 3.886 1.00 0.00 C ATOM 204 C GLU A 29 3.448 6.097 3.644 1.00 0.00 C ATOM 205 O GLU A 29 4.521 6.210 4.204 1.00 0.00 O ATOM 206 CB GLU A 29 2.720 3.865 2.748 1.00 0.00 C ATOM 207 CG GLU A 29 2.272 4.497 1.428 1.00 0.00 C ATOM 208 CD GLU A 29 1.578 3.440 0.569 1.00 0.00 C ATOM 209 OE1 GLU A 29 1.384 2.341 1.062 1.00 0.00 O ATOM 210 OE2 GLU A 29 1.253 3.746 -0.566 1.00 0.00 O ATOM 0 H GLU A 29 0.592 4.917 3.050 1.00 0.00 H new ATOM 0 HA GLU A 29 2.857 4.468 4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.760 3.548 2.675 1.00 0.00 H new ATOM 0 HB3 GLU A 29 2.128 2.973 2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 29 1.593 5.327 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.132 4.906 0.897 1.00 0.00 H new ATOM 217 N GLN A 30 3.030 7.009 2.810 1.00 0.00 N ATOM 218 CA GLN A 30 3.881 8.204 2.548 1.00 0.00 C ATOM 219 C GLN A 30 4.221 8.904 3.863 1.00 0.00 C ATOM 220 O GLN A 30 5.304 9.429 4.036 1.00 0.00 O ATOM 221 CB GLN A 30 3.041 9.120 1.659 1.00 0.00 C ATOM 222 CG GLN A 30 3.937 10.201 1.050 1.00 0.00 C ATOM 223 CD GLN A 30 3.518 11.573 1.583 1.00 0.00 C ATOM 224 OE1 GLN A 30 3.571 12.555 0.871 1.00 0.00 O ATOM 225 NE2 GLN A 30 3.105 11.682 2.816 1.00 0.00 N ATOM 0 H GLN A 30 2.145 6.980 2.303 1.00 0.00 H new ATOM 0 HA GLN A 30 4.824 7.936 2.071 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.564 8.540 0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.244 9.580 2.243 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.980 10.006 1.299 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.859 10.182 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.061 10.857 3.414 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.827 12.592 3.182 1.00 0.00 H new ATOM 234 N CYS A 31 3.312 8.910 4.797 1.00 0.00 N ATOM 235 CA CYS A 31 3.599 9.569 6.101 1.00 0.00 C ATOM 236 C CYS A 31 4.461 8.644 6.960 1.00 0.00 C ATOM 237 O CYS A 31 4.862 8.988 8.054 1.00 0.00 O ATOM 238 CB CYS A 31 2.230 9.787 6.749 1.00 0.00 C ATOM 239 SG CYS A 31 2.452 10.392 8.440 1.00 0.00 S ATOM 0 H CYS A 31 2.387 8.489 4.715 1.00 0.00 H new ATOM 0 HA CYS A 31 4.142 10.507 5.987 1.00 0.00 H new ATOM 0 HB2 CYS A 31 1.651 10.505 6.168 1.00 0.00 H new ATOM 0 HB3 CYS A 31 1.667 8.854 6.756 1.00 0.00 H new ATOM 0 HG CYS A 31 3.563 9.923 8.926 1.00 0.00 H new ATOM 245 N GLY A 32 4.755 7.474 6.462 1.00 0.00 N ATOM 246 CA GLY A 32 5.596 6.525 7.235 1.00 0.00 C ATOM 247 C GLY A 32 4.706 5.498 7.933 1.00 0.00 C ATOM 248 O GLY A 32 4.652 5.439 9.145 1.00 0.00 O ATOM 0 H GLY A 32 4.447 7.136 5.550 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.297 6.021 6.570 1.00 0.00 H new ATOM 0 HA3 GLY A 32 6.189 7.067 7.972 1.00 0.00 H new ATOM 252 N ILE A 33 4.018 4.671 7.188 1.00 0.00 N ATOM 253 CA ILE A 33 3.164 3.651 7.840 1.00 0.00 C ATOM 254 C ILE A 33 4.060 2.491 8.288 1.00 0.00 C ATOM 255 O ILE A 33 5.063 2.696 8.942 1.00 0.00 O ATOM 256 CB ILE A 33 2.113 3.241 6.776 1.00 0.00 C ATOM 257 CG1 ILE A 33 0.945 2.533 7.470 1.00 0.00 C ATOM 258 CG2 ILE A 33 2.718 2.313 5.705 1.00 0.00 C ATOM 259 CD1 ILE A 33 -0.048 2.041 6.415 1.00 0.00 C ATOM 0 H ILE A 33 4.014 4.662 6.168 1.00 0.00 H new ATOM 0 HA ILE A 33 2.647 4.007 8.731 1.00 0.00 H new ATOM 0 HB ILE A 33 1.765 4.144 6.275 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.313 1.693 8.059 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.450 3.215 8.161 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.951 2.048 4.978 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.536 2.826 5.199 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.096 1.408 6.180 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.880 1.537 6.906 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.424 2.891 5.845 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.452 1.345 5.742 1.00 0.00 H new ATOM 271 N ASN A 34 3.728 1.291 7.951 1.00 0.00 N ATOM 272 CA ASN A 34 4.581 0.139 8.366 1.00 0.00 C ATOM 273 C ASN A 34 5.781 0.002 7.426 1.00 0.00 C ATOM 274 O ASN A 34 6.178 0.945 6.770 1.00 0.00 O ATOM 275 CB ASN A 34 3.676 -1.084 8.256 1.00 0.00 C ATOM 276 CG ASN A 34 3.599 -1.790 9.612 1.00 0.00 C ATOM 277 OD1 ASN A 34 2.543 -1.879 10.205 1.00 0.00 O ATOM 278 ND2 ASN A 34 4.682 -2.305 10.131 1.00 0.00 N ATOM 0 H ASN A 34 2.902 1.046 7.404 1.00 0.00 H new ATOM 0 HA ASN A 34 4.979 0.264 9.373 1.00 0.00 H new ATOM 0 HB2 ASN A 34 2.679 -0.783 7.934 1.00 0.00 H new ATOM 0 HB3 ASN A 34 4.062 -1.768 7.500 1.00 0.00 H new ATOM 0 HD21 ASN A 34 4.639 -2.781 11.032 1.00 0.00 H new ATOM 0 HD22 ASN A 34 5.570 -2.232 9.635 1.00 0.00 H new ATOM 285 N ALA A 35 6.362 -1.167 7.357 1.00 0.00 N ATOM 286 CA ALA A 35 7.537 -1.369 6.460 1.00 0.00 C ATOM 287 C ALA A 35 7.319 -0.657 5.129 1.00 0.00 C ATOM 288 O ALA A 35 8.258 -0.278 4.458 1.00 0.00 O ATOM 289 CB ALA A 35 7.609 -2.876 6.224 1.00 0.00 C ATOM 0 H ALA A 35 6.073 -1.991 7.884 1.00 0.00 H new ATOM 0 HA ALA A 35 8.451 -0.971 6.901 1.00 0.00 H new ATOM 0 HB1 ALA A 35 8.452 -3.102 5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.741 -3.388 7.177 1.00 0.00 H new ATOM 0 HB3 ALA A 35 6.685 -3.215 5.755 1.00 0.00 H new ATOM 295 N ASN A 36 6.088 -0.493 4.731 1.00 0.00 N ATOM 296 CA ASN A 36 5.820 0.175 3.429 1.00 0.00 C ATOM 297 C ASN A 36 6.728 1.378 3.253 1.00 0.00 C ATOM 298 O ASN A 36 7.513 1.435 2.328 1.00 0.00 O ATOM 299 CB ASN A 36 4.368 0.664 3.461 1.00 0.00 C ATOM 300 CG ASN A 36 3.433 -0.410 4.025 1.00 0.00 C ATOM 301 OD1 ASN A 36 3.801 -1.162 4.905 1.00 0.00 O ATOM 302 ND2 ASN A 36 2.217 -0.501 3.562 1.00 0.00 N ATOM 0 H ASN A 36 5.261 -0.791 5.248 1.00 0.00 H new ATOM 0 HA ASN A 36 5.998 -0.521 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.299 1.566 4.069 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.050 0.934 2.454 1.00 0.00 H new ATOM 0 HD21 ASN A 36 1.579 -1.202 3.939 1.00 0.00 H new ATOM 0 HD22 ASN A 36 1.904 0.129 2.823 1.00 0.00 H new ATOM 309 N ASP A 37 6.592 2.345 4.118 1.00 0.00 N ATOM 310 CA ASP A 37 7.412 3.584 4.019 1.00 0.00 C ATOM 311 C ASP A 37 8.742 3.312 3.313 1.00 0.00 C ATOM 312 O ASP A 37 9.031 3.855 2.262 1.00 0.00 O ATOM 313 CB ASP A 37 7.656 4.009 5.469 1.00 0.00 C ATOM 314 CG ASP A 37 8.652 5.172 5.502 1.00 0.00 C ATOM 315 OD1 ASP A 37 9.768 4.982 5.046 1.00 0.00 O ATOM 316 OD2 ASP A 37 8.282 6.232 5.980 1.00 0.00 O ATOM 0 H ASP A 37 5.938 2.328 4.900 1.00 0.00 H new ATOM 0 HA ASP A 37 6.908 4.356 3.437 1.00 0.00 H new ATOM 0 HB2 ASP A 37 6.717 4.308 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.043 3.169 6.045 1.00 0.00 H new ATOM 321 N VAL A 38 9.546 2.468 3.885 1.00 0.00 N ATOM 322 CA VAL A 38 10.868 2.162 3.274 1.00 0.00 C ATOM 323 C VAL A 38 10.747 1.543 1.877 1.00 0.00 C ATOM 324 O VAL A 38 11.179 2.121 0.896 1.00 0.00 O ATOM 325 CB VAL A 38 11.533 1.157 4.217 1.00 0.00 C ATOM 326 CG1 VAL A 38 13.032 1.110 3.922 1.00 0.00 C ATOM 327 CG2 VAL A 38 11.323 1.587 5.672 1.00 0.00 C ATOM 0 H VAL A 38 9.346 1.973 4.754 1.00 0.00 H new ATOM 0 HA VAL A 38 11.441 3.081 3.150 1.00 0.00 H new ATOM 0 HB VAL A 38 11.089 0.173 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.512 0.396 4.591 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.190 0.802 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 38 13.464 2.099 4.076 1.00 0.00 H new ATOM 0 HG21 VAL A 38 11.799 0.866 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 38 11.764 2.571 5.828 1.00 0.00 H new ATOM 0 HG23 VAL A 38 10.256 1.630 5.888 1.00 0.00 H new ATOM 337 N LYS A 39 10.210 0.356 1.776 1.00 0.00 N ATOM 338 CA LYS A 39 10.135 -0.296 0.439 1.00 0.00 C ATOM 339 C LYS A 39 8.930 0.189 -0.367 1.00 0.00 C ATOM 340 O LYS A 39 9.076 0.750 -1.433 1.00 0.00 O ATOM 341 CB LYS A 39 10.018 -1.798 0.718 1.00 0.00 C ATOM 342 CG LYS A 39 11.058 -2.221 1.759 1.00 0.00 C ATOM 343 CD LYS A 39 12.467 -2.015 1.201 1.00 0.00 C ATOM 344 CE LYS A 39 13.419 -1.720 2.359 1.00 0.00 C ATOM 345 NZ LYS A 39 14.600 -1.059 1.735 1.00 0.00 N ATOM 0 H LYS A 39 9.825 -0.183 2.551 1.00 0.00 H new ATOM 0 HA LYS A 39 11.014 -0.053 -0.158 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.016 -2.032 1.077 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.165 -2.360 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.930 -1.638 2.671 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.913 -3.268 2.026 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.793 -2.905 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.473 -1.190 0.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.950 -1.071 3.099 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.707 -2.636 2.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.297 -0.827 2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.031 -1.702 1.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 14.297 -0.186 1.257 1.00 0.00 H new ATOM 359 N LYS A 40 7.742 -0.046 0.116 1.00 0.00 N ATOM 360 CA LYS A 40 6.538 0.381 -0.657 1.00 0.00 C ATOM 361 C LYS A 40 6.759 1.758 -1.295 1.00 0.00 C ATOM 362 O LYS A 40 6.279 2.024 -2.374 1.00 0.00 O ATOM 363 CB LYS A 40 5.389 0.462 0.341 1.00 0.00 C ATOM 364 CG LYS A 40 4.720 -0.909 0.478 1.00 0.00 C ATOM 365 CD LYS A 40 3.422 -0.920 -0.332 1.00 0.00 C ATOM 366 CE LYS A 40 2.527 0.235 0.126 1.00 0.00 C ATOM 367 NZ LYS A 40 1.141 -0.183 -0.224 1.00 0.00 N ATOM 0 H LYS A 40 7.551 -0.511 1.004 1.00 0.00 H new ATOM 0 HA LYS A 40 6.329 -0.325 -1.460 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.761 0.794 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.659 1.201 0.010 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.391 -1.691 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.510 -1.121 1.526 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.643 -0.824 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.905 -1.870 -0.198 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.627 0.410 1.197 1.00 0.00 H new ATOM 0 HE3 LYS A 40 2.796 1.165 -0.375 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.561 0.660 -0.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 1.163 -0.784 -1.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.729 -0.717 0.568 1.00 0.00 H new ATOM 381 N LEU A 41 7.446 2.658 -0.633 1.00 0.00 N ATOM 382 CA LEU A 41 7.631 4.014 -1.240 1.00 0.00 C ATOM 383 C LEU A 41 8.865 4.117 -2.155 1.00 0.00 C ATOM 384 O LEU A 41 8.747 4.320 -3.346 1.00 0.00 O ATOM 385 CB LEU A 41 7.806 4.979 -0.069 1.00 0.00 C ATOM 386 CG LEU A 41 6.779 4.708 1.026 1.00 0.00 C ATOM 387 CD1 LEU A 41 6.721 5.931 1.943 1.00 0.00 C ATOM 388 CD2 LEU A 41 5.395 4.466 0.418 1.00 0.00 C ATOM 0 H LEU A 41 7.878 2.518 0.280 1.00 0.00 H new ATOM 0 HA LEU A 41 6.769 4.239 -1.868 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.812 4.881 0.340 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.704 6.005 -0.421 1.00 0.00 H new ATOM 0 HG LEU A 41 7.071 3.819 1.585 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.992 5.758 2.734 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.703 6.101 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.427 6.806 1.364 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.676 4.274 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 41 5.086 5.346 -0.146 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.436 3.605 -0.249 1.00 0.00 H new ATOM 400 N GLU A 42 10.047 4.064 -1.594 1.00 0.00 N ATOM 401 CA GLU A 42 11.285 4.255 -2.418 1.00 0.00 C ATOM 402 C GLU A 42 11.420 3.263 -3.578 1.00 0.00 C ATOM 403 O GLU A 42 11.718 3.657 -4.688 1.00 0.00 O ATOM 404 CB GLU A 42 12.445 4.081 -1.442 1.00 0.00 C ATOM 405 CG GLU A 42 13.706 4.702 -2.047 1.00 0.00 C ATOM 406 CD GLU A 42 13.614 6.227 -1.966 1.00 0.00 C ATOM 407 OE1 GLU A 42 12.789 6.713 -1.210 1.00 0.00 O ATOM 408 OE2 GLU A 42 14.370 6.883 -2.664 1.00 0.00 O ATOM 0 H GLU A 42 10.211 3.897 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 42 11.260 5.235 -2.894 1.00 0.00 H new ATOM 0 HB2 GLU A 42 12.210 4.558 -0.490 1.00 0.00 H new ATOM 0 HB3 GLU A 42 12.608 3.023 -1.237 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.589 4.352 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 42 13.816 4.388 -3.085 1.00 0.00 H new ATOM 415 N GLU A 43 11.250 1.991 -3.339 1.00 0.00 N ATOM 416 CA GLU A 43 11.418 0.997 -4.450 1.00 0.00 C ATOM 417 C GLU A 43 10.871 1.542 -5.774 1.00 0.00 C ATOM 418 O GLU A 43 11.319 1.170 -6.839 1.00 0.00 O ATOM 419 CB GLU A 43 10.640 -0.242 -4.021 1.00 0.00 C ATOM 420 CG GLU A 43 11.186 -0.745 -2.686 1.00 0.00 C ATOM 421 CD GLU A 43 12.712 -0.832 -2.754 1.00 0.00 C ATOM 422 OE1 GLU A 43 13.225 -1.078 -3.833 1.00 0.00 O ATOM 423 OE2 GLU A 43 13.341 -0.650 -1.725 1.00 0.00 O ATOM 0 H GLU A 43 11.004 1.595 -2.432 1.00 0.00 H new ATOM 0 HA GLU A 43 12.472 0.776 -4.620 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.580 -0.005 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.727 -1.020 -4.779 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.886 -0.072 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.766 -1.724 -2.456 1.00 0.00 H new ATOM 430 N ALA A 44 9.914 2.424 -5.721 1.00 0.00 N ATOM 431 CA ALA A 44 9.355 2.992 -6.980 1.00 0.00 C ATOM 432 C ALA A 44 8.549 4.248 -6.671 1.00 0.00 C ATOM 433 O ALA A 44 8.681 5.264 -7.324 1.00 0.00 O ATOM 434 CB ALA A 44 8.431 1.914 -7.532 1.00 0.00 C ATOM 0 H ALA A 44 9.494 2.777 -4.861 1.00 0.00 H new ATOM 0 HA ALA A 44 10.139 3.265 -7.687 1.00 0.00 H new ATOM 0 HB1 ALA A 44 7.981 2.262 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.004 1.007 -7.723 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.646 1.701 -6.807 1.00 0.00 H new ATOM 440 N GLY A 45 7.707 4.176 -5.682 1.00 0.00 N ATOM 441 CA GLY A 45 6.876 5.355 -5.328 1.00 0.00 C ATOM 442 C GLY A 45 5.409 4.932 -5.231 1.00 0.00 C ATOM 443 O GLY A 45 4.515 5.684 -5.567 1.00 0.00 O ATOM 0 H GLY A 45 7.558 3.350 -5.103 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.208 5.776 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.992 6.135 -6.081 1.00 0.00 H new ATOM 447 N PHE A 46 5.149 3.731 -4.776 1.00 0.00 N ATOM 448 CA PHE A 46 3.724 3.263 -4.661 1.00 0.00 C ATOM 449 C PHE A 46 2.916 4.089 -3.643 1.00 0.00 C ATOM 450 O PHE A 46 1.783 3.767 -3.353 1.00 0.00 O ATOM 451 CB PHE A 46 3.814 1.815 -4.186 1.00 0.00 C ATOM 452 CG PHE A 46 4.586 1.018 -5.197 1.00 0.00 C ATOM 453 CD1 PHE A 46 5.967 0.925 -5.079 1.00 0.00 C ATOM 454 CD2 PHE A 46 3.928 0.387 -6.258 1.00 0.00 C ATOM 455 CE1 PHE A 46 6.701 0.210 -6.004 1.00 0.00 C ATOM 456 CE2 PHE A 46 4.666 -0.339 -7.198 1.00 0.00 C ATOM 457 CZ PHE A 46 6.058 -0.428 -7.071 1.00 0.00 C ATOM 0 H PHE A 46 5.853 3.055 -4.480 1.00 0.00 H new ATOM 0 HA PHE A 46 3.210 3.371 -5.616 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.305 1.767 -3.214 1.00 0.00 H new ATOM 0 HB3 PHE A 46 2.815 1.397 -4.060 1.00 0.00 H new ATOM 0 HD1 PHE A 46 6.470 1.415 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE A 46 2.854 0.460 -6.351 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.774 0.143 -5.904 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.164 -0.829 -8.019 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.633 -0.987 -7.794 1.00 0.00 H new ATOM 467 N HIS A 47 3.478 5.132 -3.093 1.00 0.00 N ATOM 468 CA HIS A 47 2.722 5.954 -2.095 1.00 0.00 C ATOM 469 C HIS A 47 1.476 6.576 -2.729 1.00 0.00 C ATOM 470 O HIS A 47 1.395 7.772 -2.907 1.00 0.00 O ATOM 471 CB HIS A 47 3.699 7.051 -1.666 1.00 0.00 C ATOM 472 CG HIS A 47 4.202 7.780 -2.881 1.00 0.00 C ATOM 473 ND1 HIS A 47 5.269 8.664 -2.824 1.00 0.00 N ATOM 474 CD2 HIS A 47 3.797 7.767 -4.194 1.00 0.00 C ATOM 475 CE1 HIS A 47 5.468 9.140 -4.066 1.00 0.00 C ATOM 476 NE2 HIS A 47 4.597 8.626 -4.940 1.00 0.00 N ATOM 0 H HIS A 47 4.426 5.453 -3.289 1.00 0.00 H new ATOM 0 HA HIS A 47 2.377 5.351 -1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 47 3.205 7.748 -0.989 1.00 0.00 H new ATOM 0 HB3 HIS A 47 4.535 6.614 -1.119 1.00 0.00 H new ATOM 0 HD2 HIS A 47 2.981 7.179 -4.587 1.00 0.00 H new ATOM 0 HE1 HIS A 47 6.238 9.851 -4.326 1.00 0.00 H new ATOM 0 HE2 HIS A 47 4.533 8.822 -5.939 1.00 0.00 H new ATOM 484 N THR A 48 0.507 5.765 -3.054 1.00 0.00 N ATOM 485 CA THR A 48 -0.756 6.281 -3.667 1.00 0.00 C ATOM 486 C THR A 48 -1.538 5.121 -4.287 1.00 0.00 C ATOM 487 O THR A 48 -1.281 3.967 -4.009 1.00 0.00 O ATOM 488 CB THR A 48 -0.332 7.272 -4.763 1.00 0.00 C ATOM 489 OG1 THR A 48 -1.449 7.556 -5.593 1.00 0.00 O ATOM 490 CG2 THR A 48 0.788 6.667 -5.614 1.00 0.00 C ATOM 0 H THR A 48 0.534 4.754 -2.920 1.00 0.00 H new ATOM 0 HA THR A 48 -1.394 6.761 -2.925 1.00 0.00 H new ATOM 0 HB THR A 48 0.029 8.189 -4.297 1.00 0.00 H new ATOM 0 HG1 THR A 48 -2.108 8.076 -5.088 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.081 7.377 -6.387 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.647 6.445 -4.981 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.434 5.748 -6.081 1.00 0.00 H new ATOM 498 N VAL A 49 -2.486 5.428 -5.125 1.00 0.00 N ATOM 499 CA VAL A 49 -3.300 4.364 -5.786 1.00 0.00 C ATOM 500 C VAL A 49 -2.439 3.142 -6.124 1.00 0.00 C ATOM 501 O VAL A 49 -2.924 2.029 -6.177 1.00 0.00 O ATOM 502 CB VAL A 49 -3.810 5.016 -7.072 1.00 0.00 C ATOM 503 CG1 VAL A 49 -4.775 4.063 -7.778 1.00 0.00 C ATOM 504 CG2 VAL A 49 -4.531 6.323 -6.734 1.00 0.00 C ATOM 0 H VAL A 49 -2.737 6.382 -5.385 1.00 0.00 H new ATOM 0 HA VAL A 49 -4.105 4.009 -5.142 1.00 0.00 H new ATOM 0 HB VAL A 49 -2.968 5.230 -7.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -5.139 4.527 -8.695 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.257 3.135 -8.022 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -5.618 3.846 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.894 6.786 -7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -5.374 6.114 -6.075 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -3.840 7.001 -6.234 1.00 0.00 H new ATOM 514 N GLU A 50 -1.171 3.341 -6.361 1.00 0.00 N ATOM 515 CA GLU A 50 -0.282 2.190 -6.706 1.00 0.00 C ATOM 516 C GLU A 50 -0.620 0.971 -5.843 1.00 0.00 C ATOM 517 O GLU A 50 -0.419 -0.159 -6.242 1.00 0.00 O ATOM 518 CB GLU A 50 1.134 2.681 -6.406 1.00 0.00 C ATOM 519 CG GLU A 50 1.869 2.958 -7.719 1.00 0.00 C ATOM 520 CD GLU A 50 1.614 4.403 -8.152 1.00 0.00 C ATOM 521 OE1 GLU A 50 0.457 4.780 -8.240 1.00 0.00 O ATOM 522 OE2 GLU A 50 2.581 5.110 -8.388 1.00 0.00 O ATOM 0 H GLU A 50 -0.710 4.250 -6.331 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.398 1.880 -7.745 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.095 3.587 -5.801 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.674 1.933 -5.826 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.938 2.789 -7.592 1.00 0.00 H new ATOM 0 HG3 GLU A 50 1.527 2.270 -8.492 1.00 0.00 H new ATOM 529 N ALA A 51 -1.127 1.190 -4.662 1.00 0.00 N ATOM 530 CA ALA A 51 -1.470 0.043 -3.773 1.00 0.00 C ATOM 531 C ALA A 51 -2.804 -0.587 -4.193 1.00 0.00 C ATOM 532 O ALA A 51 -2.892 -1.777 -4.424 1.00 0.00 O ATOM 533 CB ALA A 51 -1.584 0.651 -2.376 1.00 0.00 C ATOM 0 H ALA A 51 -1.319 2.113 -4.273 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.722 -0.749 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.835 -0.130 -1.659 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.633 1.106 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.365 1.411 -2.373 1.00 0.00 H new ATOM 539 N VAL A 52 -3.843 0.197 -4.284 1.00 0.00 N ATOM 540 CA VAL A 52 -5.169 -0.365 -4.677 1.00 0.00 C ATOM 541 C VAL A 52 -5.428 -0.144 -6.169 1.00 0.00 C ATOM 542 O VAL A 52 -6.558 -0.011 -6.598 1.00 0.00 O ATOM 543 CB VAL A 52 -6.187 0.402 -3.833 1.00 0.00 C ATOM 544 CG1 VAL A 52 -6.015 1.905 -4.068 1.00 0.00 C ATOM 545 CG2 VAL A 52 -7.605 -0.012 -4.235 1.00 0.00 C ATOM 0 H VAL A 52 -3.833 1.201 -4.104 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.225 -1.441 -4.509 1.00 0.00 H new ATOM 0 HB VAL A 52 -6.026 0.174 -2.779 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -6.741 2.453 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -5.007 2.205 -3.782 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.175 2.129 -5.123 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.329 0.536 -3.632 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.765 0.215 -5.289 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -7.732 -1.082 -4.071 1.00 0.00 H new ATOM 555 N ALA A 53 -4.394 -0.107 -6.965 1.00 0.00 N ATOM 556 CA ALA A 53 -4.587 0.102 -8.430 1.00 0.00 C ATOM 557 C ALA A 53 -3.245 0.396 -9.106 1.00 0.00 C ATOM 558 O ALA A 53 -2.278 0.746 -8.460 1.00 0.00 O ATOM 559 CB ALA A 53 -5.514 1.313 -8.541 1.00 0.00 C ATOM 0 H ALA A 53 -3.425 -0.212 -6.665 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.004 -0.779 -8.918 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.704 1.531 -9.592 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -6.457 1.097 -8.039 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.043 2.176 -8.071 1.00 0.00 H new ATOM 565 N TYR A 54 -3.186 0.255 -10.405 1.00 0.00 N ATOM 566 CA TYR A 54 -1.914 0.527 -11.144 1.00 0.00 C ATOM 567 C TYR A 54 -0.895 -0.594 -10.916 1.00 0.00 C ATOM 568 O TYR A 54 0.173 -0.595 -11.496 1.00 0.00 O ATOM 569 CB TYR A 54 -1.388 1.851 -10.584 1.00 0.00 C ATOM 570 CG TYR A 54 -0.612 2.576 -11.655 1.00 0.00 C ATOM 571 CD1 TYR A 54 -1.145 2.696 -12.944 1.00 0.00 C ATOM 572 CD2 TYR A 54 0.642 3.126 -11.362 1.00 0.00 C ATOM 573 CE1 TYR A 54 -0.426 3.368 -13.940 1.00 0.00 C ATOM 574 CE2 TYR A 54 1.361 3.798 -12.359 1.00 0.00 C ATOM 575 CZ TYR A 54 0.827 3.918 -13.647 1.00 0.00 C ATOM 576 OH TYR A 54 1.538 4.581 -14.628 1.00 0.00 O ATOM 0 H TYR A 54 -3.968 -0.039 -10.990 1.00 0.00 H new ATOM 0 HA TYR A 54 -2.083 0.579 -12.220 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -2.218 2.468 -10.240 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.750 1.665 -9.720 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.111 2.270 -13.170 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.054 3.032 -10.368 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.838 3.462 -14.934 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.328 4.224 -12.134 1.00 0.00 H new ATOM 0 HH TYR A 54 2.386 4.902 -14.257 1.00 0.00 H new ATOM 586 N ALA A 55 -1.207 -1.549 -10.084 1.00 0.00 N ATOM 587 CA ALA A 55 -0.243 -2.660 -9.839 1.00 0.00 C ATOM 588 C ALA A 55 -0.728 -3.539 -8.686 1.00 0.00 C ATOM 589 O ALA A 55 -1.184 -3.042 -7.675 1.00 0.00 O ATOM 590 CB ALA A 55 1.076 -1.978 -9.467 1.00 0.00 C ATOM 0 H ALA A 55 -2.083 -1.609 -9.565 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.136 -3.305 -10.711 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.835 -2.736 -9.272 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.401 -1.342 -10.290 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.932 -1.370 -8.574 1.00 0.00 H new ATOM 596 N PRO A 56 -0.598 -4.823 -8.873 1.00 0.00 N ATOM 597 CA PRO A 56 -1.016 -5.786 -7.832 1.00 0.00 C ATOM 598 C PRO A 56 -0.053 -5.705 -6.647 1.00 0.00 C ATOM 599 O PRO A 56 1.112 -6.027 -6.761 1.00 0.00 O ATOM 600 CB PRO A 56 -0.930 -7.140 -8.533 1.00 0.00 C ATOM 601 CG PRO A 56 0.053 -6.936 -9.640 1.00 0.00 C ATOM 602 CD PRO A 56 -0.052 -5.493 -10.059 1.00 0.00 C ATOM 0 HA PRO A 56 -2.013 -5.598 -7.433 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.598 -7.920 -7.848 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -1.902 -7.448 -8.919 1.00 0.00 H new ATOM 0 HG2 PRO A 56 1.064 -7.168 -9.306 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -0.166 -7.598 -10.478 1.00 0.00 H new ATOM 0 HD2 PRO A 56 0.920 -5.085 -10.337 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.706 -5.374 -10.923 1.00 0.00 H new ATOM 610 N LYS A 57 -0.530 -5.256 -5.519 1.00 0.00 N ATOM 611 CA LYS A 57 0.353 -5.129 -4.323 1.00 0.00 C ATOM 612 C LYS A 57 1.339 -6.301 -4.246 1.00 0.00 C ATOM 613 O LYS A 57 2.465 -6.143 -3.823 1.00 0.00 O ATOM 614 CB LYS A 57 -0.602 -5.116 -3.120 1.00 0.00 C ATOM 615 CG LYS A 57 -0.970 -6.545 -2.693 1.00 0.00 C ATOM 616 CD LYS A 57 -1.967 -7.144 -3.688 1.00 0.00 C ATOM 617 CE LYS A 57 -3.351 -7.219 -3.039 1.00 0.00 C ATOM 618 NZ LYS A 57 -3.918 -5.849 -3.184 1.00 0.00 N ATOM 0 H LYS A 57 -1.498 -4.970 -5.373 1.00 0.00 H new ATOM 0 HA LYS A 57 0.965 -4.227 -4.357 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.135 -4.593 -2.286 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.507 -4.565 -3.376 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.073 -7.163 -2.647 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.402 -6.535 -1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.009 -6.533 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.641 -8.139 -3.992 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.979 -7.961 -3.533 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -3.280 -7.508 -1.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.932 -5.866 -2.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.426 -5.199 -2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -3.793 -5.524 -4.164 1.00 0.00 H new ATOM 632 N LYS A 58 0.926 -7.470 -4.651 1.00 0.00 N ATOM 633 CA LYS A 58 1.847 -8.644 -4.595 1.00 0.00 C ATOM 634 C LYS A 58 3.038 -8.440 -5.539 1.00 0.00 C ATOM 635 O LYS A 58 4.124 -8.931 -5.303 1.00 0.00 O ATOM 636 CB LYS A 58 1.005 -9.835 -5.052 1.00 0.00 C ATOM 637 CG LYS A 58 1.576 -11.122 -4.453 1.00 0.00 C ATOM 638 CD LYS A 58 1.605 -12.215 -5.524 1.00 0.00 C ATOM 639 CE LYS A 58 0.209 -12.375 -6.129 1.00 0.00 C ATOM 640 NZ LYS A 58 0.305 -13.578 -7.001 1.00 0.00 N ATOM 0 H LYS A 58 -0.006 -7.665 -5.017 1.00 0.00 H new ATOM 0 HA LYS A 58 2.257 -8.791 -3.596 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.031 -9.704 -4.739 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.003 -9.897 -6.140 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.582 -10.944 -4.073 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.968 -11.443 -3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.323 -11.957 -6.303 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.934 -13.158 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.545 -12.509 -5.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.077 -11.493 -6.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.615 -13.754 -7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.026 -13.419 -7.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.572 -14.403 -6.426 1.00 0.00 H new ATOM 654 N GLU A 59 2.849 -7.710 -6.601 1.00 0.00 N ATOM 655 CA GLU A 59 3.978 -7.478 -7.546 1.00 0.00 C ATOM 656 C GLU A 59 4.854 -6.358 -7.013 1.00 0.00 C ATOM 657 O GLU A 59 6.064 -6.461 -6.984 1.00 0.00 O ATOM 658 CB GLU A 59 3.329 -7.085 -8.873 1.00 0.00 C ATOM 659 CG GLU A 59 4.415 -6.724 -9.888 1.00 0.00 C ATOM 660 CD GLU A 59 4.960 -8.001 -10.529 1.00 0.00 C ATOM 661 OE1 GLU A 59 4.359 -9.044 -10.329 1.00 0.00 O ATOM 662 OE2 GLU A 59 5.969 -7.915 -11.210 1.00 0.00 O ATOM 0 H GLU A 59 1.967 -7.265 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 59 4.612 -8.356 -7.668 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.723 -7.908 -9.251 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.659 -6.238 -8.725 1.00 0.00 H new ATOM 0 HG2 GLU A 59 4.007 -6.066 -10.655 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.221 -6.179 -9.396 1.00 0.00 H new ATOM 669 N LEU A 60 4.257 -5.296 -6.559 1.00 0.00 N ATOM 670 CA LEU A 60 5.072 -4.198 -5.997 1.00 0.00 C ATOM 671 C LEU A 60 5.920 -4.778 -4.862 1.00 0.00 C ATOM 672 O LEU A 60 7.134 -4.792 -4.920 1.00 0.00 O ATOM 673 CB LEU A 60 4.042 -3.166 -5.498 1.00 0.00 C ATOM 674 CG LEU A 60 4.396 -2.642 -4.098 1.00 0.00 C ATOM 675 CD1 LEU A 60 5.850 -2.149 -4.069 1.00 0.00 C ATOM 676 CD2 LEU A 60 3.465 -1.480 -3.748 1.00 0.00 C ATOM 0 H LEU A 60 3.248 -5.144 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 60 5.759 -3.732 -6.704 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.994 -2.332 -6.198 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.052 -3.621 -5.477 1.00 0.00 H new ATOM 0 HG LEU A 60 4.278 -3.449 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 60 6.089 -1.780 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 60 6.518 -2.972 -4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.976 -1.344 -4.793 1.00 0.00 H new ATOM 0 HD21 LEU A 60 3.711 -1.103 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.588 -0.682 -4.480 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.431 -1.826 -3.759 1.00 0.00 H new ATOM 688 N ILE A 61 5.283 -5.258 -3.832 1.00 0.00 N ATOM 689 CA ILE A 61 6.034 -5.841 -2.689 1.00 0.00 C ATOM 690 C ILE A 61 7.099 -6.784 -3.217 1.00 0.00 C ATOM 691 O ILE A 61 8.139 -6.966 -2.614 1.00 0.00 O ATOM 692 CB ILE A 61 4.990 -6.603 -1.900 1.00 0.00 C ATOM 693 CG1 ILE A 61 4.315 -7.615 -2.830 1.00 0.00 C ATOM 694 CG2 ILE A 61 3.967 -5.606 -1.358 1.00 0.00 C ATOM 695 CD1 ILE A 61 5.143 -8.905 -2.855 1.00 0.00 C ATOM 0 H ILE A 61 4.268 -5.271 -3.733 1.00 0.00 H new ATOM 0 HA ILE A 61 6.538 -5.091 -2.079 1.00 0.00 H new ATOM 0 HB ILE A 61 5.444 -7.137 -1.065 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.302 -7.825 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.230 -7.203 -3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.207 -6.139 -0.787 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.468 -4.885 -0.712 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.495 -5.081 -2.189 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.667 -9.630 -3.516 1.00 0.00 H new ATOM 0 HD12 ILE A 61 6.147 -8.686 -3.219 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.204 -9.318 -1.848 1.00 0.00 H new ATOM 707 N ASN A 62 6.860 -7.369 -4.355 1.00 0.00 N ATOM 708 CA ASN A 62 7.876 -8.277 -4.933 1.00 0.00 C ATOM 709 C ASN A 62 9.235 -7.578 -4.949 1.00 0.00 C ATOM 710 O ASN A 62 10.259 -8.212 -5.116 1.00 0.00 O ATOM 711 CB ASN A 62 7.399 -8.560 -6.356 1.00 0.00 C ATOM 712 CG ASN A 62 7.911 -9.930 -6.804 1.00 0.00 C ATOM 713 OD1 ASN A 62 8.209 -10.778 -5.985 1.00 0.00 O ATOM 714 ND2 ASN A 62 8.023 -10.186 -8.077 1.00 0.00 N ATOM 0 H ASN A 62 6.008 -7.256 -4.905 1.00 0.00 H new ATOM 0 HA ASN A 62 7.990 -9.197 -4.360 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.310 -8.536 -6.397 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.761 -7.786 -7.033 1.00 0.00 H new ATOM 0 HD21 ASN A 62 8.361 -11.098 -8.386 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.773 -9.475 -8.764 1.00 0.00 H new ATOM 721 N ILE A 63 9.274 -6.276 -4.764 1.00 0.00 N ATOM 722 CA ILE A 63 10.601 -5.600 -4.766 1.00 0.00 C ATOM 723 C ILE A 63 11.537 -6.356 -3.834 1.00 0.00 C ATOM 724 O ILE A 63 12.298 -7.207 -4.247 1.00 0.00 O ATOM 725 CB ILE A 63 10.338 -4.172 -4.268 1.00 0.00 C ATOM 726 CG1 ILE A 63 9.951 -3.293 -5.460 1.00 0.00 C ATOM 727 CG2 ILE A 63 11.603 -3.599 -3.617 1.00 0.00 C ATOM 728 CD1 ILE A 63 8.860 -2.307 -5.043 1.00 0.00 C ATOM 0 H ILE A 63 8.465 -5.672 -4.616 1.00 0.00 H new ATOM 0 HA ILE A 63 11.070 -5.579 -5.750 1.00 0.00 H new ATOM 0 HB ILE A 63 9.533 -4.191 -3.533 1.00 0.00 H new ATOM 0 HG12 ILE A 63 10.824 -2.751 -5.823 1.00 0.00 H new ATOM 0 HG13 ILE A 63 9.597 -3.915 -6.282 1.00 0.00 H new ATOM 0 HG21 ILE A 63 11.405 -2.586 -3.267 1.00 0.00 H new ATOM 0 HG22 ILE A 63 11.893 -4.224 -2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 63 12.411 -3.579 -4.348 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.588 -1.684 -5.895 1.00 0.00 H new ATOM 0 HD12 ILE A 63 7.983 -2.857 -4.702 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.230 -1.676 -4.235 1.00 0.00 H new ATOM 740 N LYS A 64 11.468 -6.058 -2.581 1.00 0.00 N ATOM 741 CA LYS A 64 12.334 -6.761 -1.597 1.00 0.00 C ATOM 742 C LYS A 64 11.885 -8.220 -1.462 1.00 0.00 C ATOM 743 O LYS A 64 12.665 -9.092 -1.133 1.00 0.00 O ATOM 744 CB LYS A 64 12.143 -6.009 -0.280 1.00 0.00 C ATOM 745 CG LYS A 64 13.511 -5.722 0.346 1.00 0.00 C ATOM 746 CD LYS A 64 14.309 -7.024 0.456 1.00 0.00 C ATOM 747 CE LYS A 64 15.434 -7.027 -0.582 1.00 0.00 C ATOM 748 NZ LYS A 64 16.578 -6.348 0.087 1.00 0.00 N ATOM 0 H LYS A 64 10.846 -5.353 -2.185 1.00 0.00 H new ATOM 0 HA LYS A 64 13.381 -6.774 -1.899 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.608 -5.076 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.535 -6.601 0.404 1.00 0.00 H new ATOM 0 HG2 LYS A 64 14.056 -5.000 -0.262 1.00 0.00 H new ATOM 0 HG3 LYS A 64 13.384 -5.277 1.333 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.725 -7.123 1.458 1.00 0.00 H new ATOM 0 HD3 LYS A 64 13.652 -7.879 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 64 15.696 -8.043 -0.877 1.00 0.00 H new ATOM 0 HE3 LYS A 64 15.137 -6.499 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 17.389 -6.312 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 16.302 -5.381 0.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 16.844 -6.877 0.942 1.00 0.00 H new ATOM 762 N GLY A 65 10.635 -8.494 -1.723 1.00 0.00 N ATOM 763 CA GLY A 65 10.140 -9.896 -1.619 1.00 0.00 C ATOM 764 C GLY A 65 9.025 -9.983 -0.575 1.00 0.00 C ATOM 765 O GLY A 65 8.770 -11.032 -0.019 1.00 0.00 O ATOM 0 H GLY A 65 9.935 -7.807 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 65 9.769 -10.232 -2.587 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.959 -10.560 -1.344 1.00 0.00 H new ATOM 769 N ILE A 66 8.357 -8.896 -0.299 1.00 0.00 N ATOM 770 CA ILE A 66 7.266 -8.942 0.713 1.00 0.00 C ATOM 771 C ILE A 66 5.979 -9.489 0.081 1.00 0.00 C ATOM 772 O ILE A 66 5.998 -10.446 -0.666 1.00 0.00 O ATOM 773 CB ILE A 66 7.054 -7.494 1.180 1.00 0.00 C ATOM 774 CG1 ILE A 66 8.365 -6.697 1.144 1.00 0.00 C ATOM 775 CG2 ILE A 66 6.537 -7.523 2.614 1.00 0.00 C ATOM 776 CD1 ILE A 66 8.350 -5.708 -0.026 1.00 0.00 C ATOM 0 H ILE A 66 8.519 -7.985 -0.728 1.00 0.00 H new ATOM 0 HA ILE A 66 7.524 -9.595 1.547 1.00 0.00 H new ATOM 0 HB ILE A 66 6.341 -7.011 0.511 1.00 0.00 H new ATOM 0 HG12 ILE A 66 8.498 -6.159 2.083 1.00 0.00 H new ATOM 0 HG13 ILE A 66 9.210 -7.378 1.044 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.380 -6.503 2.965 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.594 -8.068 2.650 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.267 -8.018 3.254 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.285 -5.148 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 66 8.239 -6.254 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.515 -5.017 0.092 1.00 0.00 H new ATOM 788 N SER A 67 4.864 -8.881 0.384 1.00 0.00 N ATOM 789 CA SER A 67 3.556 -9.330 -0.172 1.00 0.00 C ATOM 790 C SER A 67 2.457 -8.592 0.585 1.00 0.00 C ATOM 791 O SER A 67 2.564 -7.404 0.839 1.00 0.00 O ATOM 792 CB SER A 67 3.496 -10.838 0.093 1.00 0.00 C ATOM 793 OG SER A 67 2.160 -11.297 -0.065 1.00 0.00 O ATOM 0 H SER A 67 4.804 -8.075 1.007 1.00 0.00 H new ATOM 0 HA SER A 67 3.436 -9.127 -1.236 1.00 0.00 H new ATOM 0 HB2 SER A 67 4.156 -11.365 -0.596 1.00 0.00 H new ATOM 0 HB3 SER A 67 3.849 -11.055 1.101 1.00 0.00 H new ATOM 0 HG SER A 67 2.124 -12.262 0.103 1.00 0.00 H new ATOM 799 N GLU A 68 1.427 -9.269 0.995 1.00 0.00 N ATOM 800 CA GLU A 68 0.380 -8.568 1.777 1.00 0.00 C ATOM 801 C GLU A 68 1.044 -7.973 3.023 1.00 0.00 C ATOM 802 O GLU A 68 0.505 -7.107 3.680 1.00 0.00 O ATOM 803 CB GLU A 68 -0.633 -9.647 2.159 1.00 0.00 C ATOM 804 CG GLU A 68 -1.783 -9.649 1.148 1.00 0.00 C ATOM 805 CD GLU A 68 -2.775 -10.758 1.505 1.00 0.00 C ATOM 806 OE1 GLU A 68 -2.503 -11.899 1.167 1.00 0.00 O ATOM 807 OE2 GLU A 68 -3.788 -10.449 2.108 1.00 0.00 O ATOM 0 H GLU A 68 1.266 -10.262 0.826 1.00 0.00 H new ATOM 0 HA GLU A 68 -0.107 -7.761 1.230 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.150 -10.624 2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -1.017 -9.462 3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.286 -8.682 1.151 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -1.396 -9.803 0.141 1.00 0.00 H new ATOM 814 N ALA A 69 2.224 -8.446 3.346 1.00 0.00 N ATOM 815 CA ALA A 69 2.946 -7.931 4.540 1.00 0.00 C ATOM 816 C ALA A 69 2.772 -6.420 4.678 1.00 0.00 C ATOM 817 O ALA A 69 1.964 -5.940 5.452 1.00 0.00 O ATOM 818 CB ALA A 69 4.413 -8.271 4.280 1.00 0.00 C ATOM 0 H ALA A 69 2.717 -9.172 2.826 1.00 0.00 H new ATOM 0 HA ALA A 69 2.569 -8.371 5.463 1.00 0.00 H new ATOM 0 HB1 ALA A 69 5.020 -7.925 5.116 1.00 0.00 H new ATOM 0 HB2 ALA A 69 4.523 -9.350 4.174 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.743 -7.781 3.364 1.00 0.00 H new ATOM 824 N LYS A 70 3.516 -5.665 3.926 1.00 0.00 N ATOM 825 CA LYS A 70 3.393 -4.187 4.014 1.00 0.00 C ATOM 826 C LYS A 70 2.303 -3.695 3.064 1.00 0.00 C ATOM 827 O LYS A 70 1.530 -2.820 3.400 1.00 0.00 O ATOM 828 CB LYS A 70 4.767 -3.639 3.622 1.00 0.00 C ATOM 829 CG LYS A 70 5.106 -4.024 2.181 1.00 0.00 C ATOM 830 CD LYS A 70 6.625 -4.133 2.031 1.00 0.00 C ATOM 831 CE LYS A 70 7.294 -2.872 2.585 1.00 0.00 C ATOM 832 NZ LYS A 70 8.674 -3.298 2.950 1.00 0.00 N ATOM 0 H LYS A 70 4.204 -6.006 3.254 1.00 0.00 H new ATOM 0 HA LYS A 70 3.109 -3.852 5.012 1.00 0.00 H new ATOM 0 HB2 LYS A 70 4.776 -2.554 3.726 1.00 0.00 H new ATOM 0 HB3 LYS A 70 5.527 -4.030 4.298 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.635 -4.973 1.925 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.713 -3.277 1.491 1.00 0.00 H new ATOM 0 HD2 LYS A 70 6.990 -5.012 2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.887 -4.263 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.310 -2.075 1.842 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.757 -2.488 3.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.228 -2.468 3.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.631 -3.979 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.128 -3.745 2.128 1.00 0.00 H new ATOM 846 N ALA A 71 2.215 -4.253 1.888 1.00 0.00 N ATOM 847 CA ALA A 71 1.146 -3.798 0.953 1.00 0.00 C ATOM 848 C ALA A 71 -0.211 -3.886 1.651 1.00 0.00 C ATOM 849 O ALA A 71 -0.891 -2.899 1.842 1.00 0.00 O ATOM 850 CB ALA A 71 1.196 -4.761 -0.227 1.00 0.00 C ATOM 0 H ALA A 71 2.825 -4.992 1.538 1.00 0.00 H new ATOM 0 HA ALA A 71 1.289 -2.766 0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.434 -4.484 -0.955 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.179 -4.713 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.011 -5.776 0.124 1.00 0.00 H new ATOM 856 N ASP A 72 -0.606 -5.064 2.043 1.00 0.00 N ATOM 857 CA ASP A 72 -1.916 -5.211 2.735 1.00 0.00 C ATOM 858 C ASP A 72 -1.943 -4.332 3.984 1.00 0.00 C ATOM 859 O ASP A 72 -2.957 -3.759 4.328 1.00 0.00 O ATOM 860 CB ASP A 72 -2.010 -6.689 3.116 1.00 0.00 C ATOM 861 CG ASP A 72 -3.480 -7.093 3.243 1.00 0.00 C ATOM 862 OD1 ASP A 72 -4.047 -6.859 4.296 1.00 0.00 O ATOM 863 OD2 ASP A 72 -4.010 -7.629 2.284 1.00 0.00 O ATOM 0 H ASP A 72 -0.081 -5.929 1.915 1.00 0.00 H new ATOM 0 HA ASP A 72 -2.752 -4.906 2.106 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.518 -7.302 2.361 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.491 -6.866 4.058 1.00 0.00 H new ATOM 868 N LYS A 73 -0.836 -4.219 4.667 1.00 0.00 N ATOM 869 CA LYS A 73 -0.812 -3.373 5.891 1.00 0.00 C ATOM 870 C LYS A 73 -1.391 -1.986 5.597 1.00 0.00 C ATOM 871 O LYS A 73 -1.949 -1.344 6.465 1.00 0.00 O ATOM 872 CB LYS A 73 0.662 -3.265 6.272 1.00 0.00 C ATOM 873 CG LYS A 73 0.780 -2.552 7.618 1.00 0.00 C ATOM 874 CD LYS A 73 0.148 -3.413 8.713 1.00 0.00 C ATOM 875 CE LYS A 73 -1.165 -2.777 9.175 1.00 0.00 C ATOM 876 NZ LYS A 73 -1.057 -2.711 10.658 1.00 0.00 N ATOM 0 H LYS A 73 0.046 -4.673 4.431 1.00 0.00 H new ATOM 0 HA LYS A 73 -1.412 -3.801 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.108 -4.258 6.332 1.00 0.00 H new ATOM 0 HB3 LYS A 73 1.209 -2.715 5.506 1.00 0.00 H new ATOM 0 HG2 LYS A 73 1.828 -2.363 7.850 1.00 0.00 H new ATOM 0 HG3 LYS A 73 0.284 -1.583 7.572 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -0.037 -4.419 8.337 1.00 0.00 H new ATOM 0 HD3 LYS A 73 0.833 -3.508 9.555 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -1.297 -1.785 8.744 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -2.023 -3.374 8.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.921 -2.286 11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.939 -3.671 11.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -0.235 -2.130 10.921 1.00 0.00 H new ATOM 890 N ILE A 74 -1.270 -1.514 4.383 1.00 0.00 N ATOM 891 CA ILE A 74 -1.824 -0.167 4.060 1.00 0.00 C ATOM 892 C ILE A 74 -3.328 -0.273 3.793 1.00 0.00 C ATOM 893 O ILE A 74 -4.117 0.494 4.308 1.00 0.00 O ATOM 894 CB ILE A 74 -1.056 0.309 2.813 1.00 0.00 C ATOM 895 CG1 ILE A 74 -0.891 1.829 2.878 1.00 0.00 C ATOM 896 CG2 ILE A 74 -1.813 -0.053 1.528 1.00 0.00 C ATOM 897 CD1 ILE A 74 -2.249 2.477 3.156 1.00 0.00 C ATOM 0 H ILE A 74 -0.816 -1.998 3.609 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.704 0.541 4.880 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.084 -0.184 2.797 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -0.182 2.096 3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -0.483 2.202 1.938 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -1.248 0.295 0.663 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.936 -1.135 1.470 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -2.793 0.423 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.133 3.560 3.203 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -2.945 2.221 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.638 2.113 4.107 1.00 0.00 H new ATOM 909 N LEU A 75 -3.731 -1.224 2.994 1.00 0.00 N ATOM 910 CA LEU A 75 -5.182 -1.378 2.703 1.00 0.00 C ATOM 911 C LEU A 75 -5.966 -1.438 4.016 1.00 0.00 C ATOM 912 O LEU A 75 -7.142 -1.138 4.066 1.00 0.00 O ATOM 913 CB LEU A 75 -5.297 -2.697 1.940 1.00 0.00 C ATOM 914 CG LEU A 75 -5.108 -2.439 0.445 1.00 0.00 C ATOM 915 CD1 LEU A 75 -3.739 -2.958 0.003 1.00 0.00 C ATOM 916 CD2 LEU A 75 -6.202 -3.164 -0.341 1.00 0.00 C ATOM 0 H LEU A 75 -3.120 -1.898 2.533 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.586 -0.546 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.546 -3.402 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.271 -3.151 2.121 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.170 -1.368 0.254 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.607 -2.773 -1.063 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.957 -2.443 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.676 -4.029 0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.067 -2.980 -1.407 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.140 -4.235 -0.147 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.179 -2.795 -0.030 1.00 0.00 H new ATOM 928 N ALA A 76 -5.315 -1.817 5.083 1.00 0.00 N ATOM 929 CA ALA A 76 -6.013 -1.891 6.396 1.00 0.00 C ATOM 930 C ALA A 76 -6.033 -0.509 7.056 1.00 0.00 C ATOM 931 O ALA A 76 -7.067 -0.025 7.473 1.00 0.00 O ATOM 932 CB ALA A 76 -5.189 -2.871 7.231 1.00 0.00 C ATOM 0 H ALA A 76 -4.329 -2.078 5.101 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.049 -2.215 6.297 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.642 -2.979 8.217 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.165 -3.841 6.735 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -4.172 -2.493 7.338 1.00 0.00 H new ATOM 938 N GLU A 77 -4.899 0.133 7.149 1.00 0.00 N ATOM 939 CA GLU A 77 -4.858 1.485 7.775 1.00 0.00 C ATOM 940 C GLU A 77 -5.489 2.514 6.834 1.00 0.00 C ATOM 941 O GLU A 77 -6.030 3.512 7.264 1.00 0.00 O ATOM 942 CB GLU A 77 -3.372 1.789 7.983 1.00 0.00 C ATOM 943 CG GLU A 77 -2.689 0.584 8.628 1.00 0.00 C ATOM 944 CD GLU A 77 -2.097 0.995 9.978 1.00 0.00 C ATOM 945 OE1 GLU A 77 -1.217 1.840 9.984 1.00 0.00 O ATOM 946 OE2 GLU A 77 -2.535 0.458 10.982 1.00 0.00 O ATOM 0 H GLU A 77 -4.001 -0.220 6.819 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.412 1.523 8.713 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.900 2.019 7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -3.255 2.668 8.616 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -3.407 -0.224 8.765 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.903 0.205 7.975 1.00 0.00 H new ATOM 953 N ALA A 78 -5.426 2.278 5.554 1.00 0.00 N ATOM 954 CA ALA A 78 -6.024 3.242 4.586 1.00 0.00 C ATOM 955 C ALA A 78 -7.552 3.151 4.624 1.00 0.00 C ATOM 956 O ALA A 78 -8.245 4.148 4.588 1.00 0.00 O ATOM 957 CB ALA A 78 -5.494 2.810 3.219 1.00 0.00 C ATOM 0 H ALA A 78 -4.986 1.459 5.135 1.00 0.00 H new ATOM 0 HA ALA A 78 -5.763 4.275 4.816 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -5.890 3.473 2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -4.405 2.862 3.218 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -5.808 1.787 3.014 1.00 0.00 H new ATOM 963 N ALA A 79 -8.082 1.961 4.696 1.00 0.00 N ATOM 964 CA ALA A 79 -9.563 1.803 4.734 1.00 0.00 C ATOM 965 C ALA A 79 -10.107 2.183 6.114 1.00 0.00 C ATOM 966 O ALA A 79 -11.289 2.410 6.286 1.00 0.00 O ATOM 967 CB ALA A 79 -9.809 0.321 4.451 1.00 0.00 C ATOM 0 H ALA A 79 -7.552 1.090 4.730 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.063 2.447 4.011 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.881 0.122 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.402 0.065 3.473 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.320 -0.282 5.217 1.00 0.00 H new ATOM 973 N LYS A 80 -9.257 2.249 7.102 1.00 0.00 N ATOM 974 CA LYS A 80 -9.732 2.609 8.470 1.00 0.00 C ATOM 975 C LYS A 80 -9.400 4.072 8.787 1.00 0.00 C ATOM 976 O LYS A 80 -9.892 4.631 9.747 1.00 0.00 O ATOM 977 CB LYS A 80 -8.971 1.674 9.410 1.00 0.00 C ATOM 978 CG LYS A 80 -9.943 1.062 10.421 1.00 0.00 C ATOM 979 CD LYS A 80 -9.288 -0.151 11.087 1.00 0.00 C ATOM 980 CE LYS A 80 -8.175 0.322 12.026 1.00 0.00 C ATOM 981 NZ LYS A 80 -8.837 0.503 13.348 1.00 0.00 N ATOM 0 H LYS A 80 -8.256 2.070 7.022 1.00 0.00 H new ATOM 0 HA LYS A 80 -10.812 2.503 8.570 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -8.481 0.886 8.838 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -8.187 2.224 9.931 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.215 1.802 11.174 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -10.864 0.763 9.921 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.032 -0.719 11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -8.879 -0.819 10.329 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -7.370 -0.411 12.085 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -7.732 1.254 11.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.137 0.827 14.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -9.594 1.211 13.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -9.243 -0.402 13.660 1.00 0.00 H new ATOM 995 N LEU A 81 -8.571 4.695 7.996 1.00 0.00 N ATOM 996 CA LEU A 81 -8.216 6.117 8.271 1.00 0.00 C ATOM 997 C LEU A 81 -8.712 7.025 7.139 1.00 0.00 C ATOM 998 O LEU A 81 -9.296 8.062 7.379 1.00 0.00 O ATOM 999 CB LEU A 81 -6.690 6.139 8.347 1.00 0.00 C ATOM 1000 CG LEU A 81 -6.250 7.055 9.492 1.00 0.00 C ATOM 1001 CD1 LEU A 81 -6.161 6.247 10.789 1.00 0.00 C ATOM 1002 CD2 LEU A 81 -4.876 7.651 9.173 1.00 0.00 C ATOM 0 H LEU A 81 -8.126 4.284 7.175 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.676 6.482 9.189 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.308 5.130 8.507 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.273 6.492 7.404 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.978 7.858 9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -5.848 6.900 11.604 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -7.137 5.821 11.020 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.434 5.444 10.668 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.564 8.303 9.989 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.150 6.847 9.053 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.935 8.228 8.250 1.00 0.00 H new ATOM 1014 N VAL A 82 -8.483 6.646 5.909 1.00 0.00 N ATOM 1015 CA VAL A 82 -8.945 7.499 4.775 1.00 0.00 C ATOM 1016 C VAL A 82 -9.981 6.754 3.928 1.00 0.00 C ATOM 1017 O VAL A 82 -9.735 6.441 2.780 1.00 0.00 O ATOM 1018 CB VAL A 82 -7.688 7.789 3.952 1.00 0.00 C ATOM 1019 CG1 VAL A 82 -6.692 8.583 4.798 1.00 0.00 C ATOM 1020 CG2 VAL A 82 -7.043 6.470 3.516 1.00 0.00 C ATOM 0 H VAL A 82 -7.999 5.789 5.642 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.424 8.414 5.124 1.00 0.00 H new ATOM 0 HB VAL A 82 -7.962 8.369 3.071 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -5.798 8.788 4.210 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -7.147 9.524 5.108 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -6.421 8.003 5.680 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.148 6.679 2.930 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -6.772 5.889 4.397 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -7.749 5.903 2.910 1.00 0.00 H new