USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 564 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 4 LYS NZ :NH3+ 126:sc= -0.143 (180deg=-0.764) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.502 X(o=-0.5,f=-0.17) USER MOD Single : A 11 SER OG : rot 100:sc= -0.466 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= -0.0771 K(o=-0.077,f=-1.4!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.118 K(o=-0.12,f=-1.1) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 49 ASN : amide:sc= -0.368 X(o=-0.37,f=-0.024) USER MOD Single : A 57 THR OG1 : rot 90:sc= 0.0556 USER MOD Single : A 59 SER OG : rot -160:sc= 0.694 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc=-0.000453 (180deg=-0.0975) USER MOD Single : A 65 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.45) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl -134:sc= -3.46! (180deg=-8.2!) USER MOD Single : A 73 TYR OH : rot -30:sc= -0.472 USER MOD Single : A 74 SER OG : rot 180:sc= -2.62 USER MOD ----------------------------------------------------------------- ATOM 97 N LYS A 4 6.668 2.839 -0.355 1.00 0.00 N ATOM 98 CA LYS A 4 5.287 2.698 0.090 1.00 0.00 C ATOM 99 C LYS A 4 4.582 1.578 -0.668 1.00 0.00 C ATOM 100 O LYS A 4 5.084 1.088 -1.681 1.00 0.00 O ATOM 101 CB LYS A 4 4.530 4.014 -0.104 1.00 0.00 C ATOM 102 CG LYS A 4 5.060 5.152 0.752 1.00 0.00 C ATOM 103 CD LYS A 4 4.121 6.346 0.734 1.00 0.00 C ATOM 104 CE LYS A 4 4.872 7.649 0.961 1.00 0.00 C ATOM 105 NZ LYS A 4 5.869 7.909 -0.115 1.00 0.00 N ATOM 0 HA LYS A 4 5.298 2.444 1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 4 4.585 4.304 -1.153 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.477 3.855 0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 4 5.192 4.807 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 4 6.042 5.455 0.389 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.601 6.387 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 4 3.361 6.224 1.505 1.00 0.00 H new ATOM 0 HE2 LYS A 4 4.162 8.475 1.005 1.00 0.00 H new ATOM 0 HE3 LYS A 4 5.379 7.613 1.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 5.702 8.851 -0.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.829 7.869 0.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 5.773 7.188 -0.859 1.00 0.00 H new ATOM 119 N LEU A 5 3.417 1.176 -0.173 1.00 0.00 N ATOM 120 CA LEU A 5 2.643 0.114 -0.805 1.00 0.00 C ATOM 121 C LEU A 5 1.338 0.659 -1.379 1.00 0.00 C ATOM 122 O LEU A 5 0.709 1.540 -0.790 1.00 0.00 O ATOM 123 CB LEU A 5 2.345 -0.996 0.203 1.00 0.00 C ATOM 124 CG LEU A 5 3.483 -1.358 1.158 1.00 0.00 C ATOM 125 CD1 LEU A 5 2.979 -2.267 2.270 1.00 0.00 C ATOM 126 CD2 LEU A 5 4.624 -2.022 0.401 1.00 0.00 C ATOM 0 H LEU A 5 2.988 1.570 0.664 1.00 0.00 H new ATOM 0 HA LEU A 5 3.235 -0.296 -1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.480 -0.698 0.796 1.00 0.00 H new ATOM 0 HB3 LEU A 5 2.060 -1.893 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 5 3.858 -0.440 1.609 1.00 0.00 H new ATOM 0 HD11 LEU A 5 3.803 -2.514 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.196 -1.756 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 5 2.576 -3.183 1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 5 5.425 -2.273 1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.262 -2.931 -0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 5 5.004 -1.338 -0.358 1.00 0.00 H new ATOM 138 N TYR A 6 0.936 0.128 -2.528 1.00 0.00 N ATOM 139 CA TYR A 6 -0.294 0.561 -3.180 1.00 0.00 C ATOM 140 C TYR A 6 -1.457 -0.355 -2.814 1.00 0.00 C ATOM 141 O TYR A 6 -1.372 -1.575 -2.961 1.00 0.00 O ATOM 142 CB TYR A 6 -0.108 0.587 -4.699 1.00 0.00 C ATOM 143 CG TYR A 6 -1.410 0.576 -5.468 1.00 0.00 C ATOM 144 CD1 TYR A 6 -2.101 -0.609 -5.688 1.00 0.00 C ATOM 145 CD2 TYR A 6 -1.948 1.752 -5.977 1.00 0.00 C ATOM 146 CE1 TYR A 6 -3.291 -0.622 -6.390 1.00 0.00 C ATOM 147 CE2 TYR A 6 -3.137 1.748 -6.680 1.00 0.00 C ATOM 148 CZ TYR A 6 -3.805 0.558 -6.884 1.00 0.00 C ATOM 149 OH TYR A 6 -4.989 0.549 -7.584 1.00 0.00 O ATOM 0 H TYR A 6 1.444 -0.603 -3.027 1.00 0.00 H new ATOM 0 HA TYR A 6 -0.525 1.567 -2.831 1.00 0.00 H new ATOM 0 HB2 TYR A 6 0.458 1.477 -4.972 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.489 -0.275 -4.999 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -1.701 -1.536 -5.304 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.427 2.685 -5.820 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -3.816 -1.552 -6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -3.542 2.671 -7.068 1.00 0.00 H new ATOM 0 HH TYR A 6 -5.212 1.462 -7.861 1.00 0.00 H new ATOM 159 N ILE A 7 -2.544 0.242 -2.336 1.00 0.00 N ATOM 160 CA ILE A 7 -3.725 -0.519 -1.951 1.00 0.00 C ATOM 161 C ILE A 7 -4.886 -0.254 -2.903 1.00 0.00 C ATOM 162 O ILE A 7 -5.314 0.887 -3.075 1.00 0.00 O ATOM 163 CB ILE A 7 -4.168 -0.182 -0.514 1.00 0.00 C ATOM 164 CG1 ILE A 7 -2.968 -0.221 0.435 1.00 0.00 C ATOM 165 CG2 ILE A 7 -5.247 -1.149 -0.051 1.00 0.00 C ATOM 166 CD1 ILE A 7 -3.304 0.193 1.851 1.00 0.00 C ATOM 0 H ILE A 7 -2.631 1.250 -2.206 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.451 -1.573 -2.001 1.00 0.00 H new ATOM 0 HB ILE A 7 -4.583 0.826 -0.505 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -2.558 -1.231 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.188 0.435 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -5.549 -0.898 0.966 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -6.109 -1.077 -0.714 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -4.857 -2.167 -0.072 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.407 0.142 2.468 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.686 1.214 1.851 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -4.062 -0.478 2.256 1.00 0.00 H new ATOM 178 N GLY A 8 -5.393 -1.317 -3.520 1.00 0.00 N ATOM 179 CA GLY A 8 -6.502 -1.179 -4.447 1.00 0.00 C ATOM 180 C GLY A 8 -7.758 -1.869 -3.955 1.00 0.00 C ATOM 181 O GLY A 8 -7.717 -2.638 -2.997 1.00 0.00 O ATOM 0 H GLY A 8 -5.056 -2.271 -3.395 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -6.710 -0.121 -4.604 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.218 -1.595 -5.414 1.00 0.00 H new ATOM 185 N ASN A 9 -8.879 -1.593 -4.614 1.00 0.00 N ATOM 186 CA ASN A 9 -10.155 -2.192 -4.237 1.00 0.00 C ATOM 187 C ASN A 9 -10.655 -1.617 -2.915 1.00 0.00 C ATOM 188 O ASN A 9 -11.169 -2.346 -2.064 1.00 0.00 O ATOM 189 CB ASN A 9 -10.014 -3.712 -4.125 1.00 0.00 C ATOM 190 CG ASN A 9 -11.318 -4.434 -4.405 1.00 0.00 C ATOM 191 OD1 ASN A 9 -11.647 -4.722 -5.556 1.00 0.00 O ATOM 192 ND2 ASN A 9 -12.068 -4.731 -3.350 1.00 0.00 N ATOM 0 H ASN A 9 -8.930 -0.959 -5.411 1.00 0.00 H new ATOM 0 HA ASN A 9 -10.883 -1.958 -5.013 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.253 -4.056 -4.825 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.666 -3.970 -3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -12.956 -5.217 -3.476 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -11.756 -4.473 -2.414 1.00 0.00 H new ATOM 199 N LEU A 10 -10.503 -0.308 -2.751 1.00 0.00 N ATOM 200 CA LEU A 10 -10.941 0.365 -1.533 1.00 0.00 C ATOM 201 C LEU A 10 -12.321 0.987 -1.721 1.00 0.00 C ATOM 202 O LEU A 10 -12.553 1.730 -2.674 1.00 0.00 O ATOM 203 CB LEU A 10 -9.932 1.443 -1.133 1.00 0.00 C ATOM 204 CG LEU A 10 -8.574 0.943 -0.642 1.00 0.00 C ATOM 205 CD1 LEU A 10 -7.693 2.111 -0.226 1.00 0.00 C ATOM 206 CD2 LEU A 10 -8.749 -0.031 0.514 1.00 0.00 C ATOM 0 H LEU A 10 -10.080 0.308 -3.445 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.004 -0.378 -0.738 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -9.768 2.095 -1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.377 2.055 -0.348 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.085 0.418 -1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -6.730 1.735 0.121 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.539 2.772 -1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -8.178 2.664 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.771 -0.376 0.850 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -9.260 0.469 1.337 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.341 -0.884 0.184 1.00 0.00 H new ATOM 218 N SER A 11 -13.233 0.680 -0.803 1.00 0.00 N ATOM 219 CA SER A 11 -14.590 1.208 -0.867 1.00 0.00 C ATOM 220 C SER A 11 -14.596 2.720 -0.666 1.00 0.00 C ATOM 221 O SER A 11 -13.742 3.283 0.021 1.00 0.00 O ATOM 222 CB SER A 11 -15.472 0.538 0.187 1.00 0.00 C ATOM 223 OG SER A 11 -15.110 -0.821 0.366 1.00 0.00 O ATOM 0 H SER A 11 -13.056 0.068 -0.006 1.00 0.00 H new ATOM 0 HA SER A 11 -14.991 0.990 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 11 -15.380 1.070 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 11 -16.517 0.602 -0.115 1.00 0.00 H new ATOM 0 HG SER A 11 -14.550 -0.908 1.165 1.00 0.00 H new ATOM 229 N PRO A 12 -15.580 3.395 -1.277 1.00 0.00 N ATOM 230 CA PRO A 12 -15.722 4.851 -1.179 1.00 0.00 C ATOM 231 C PRO A 12 -16.148 5.299 0.214 1.00 0.00 C ATOM 232 O PRO A 12 -16.219 6.494 0.497 1.00 0.00 O ATOM 233 CB PRO A 12 -16.816 5.170 -2.201 1.00 0.00 C ATOM 234 CG PRO A 12 -17.608 3.913 -2.313 1.00 0.00 C ATOM 235 CD PRO A 12 -16.632 2.788 -2.111 1.00 0.00 C ATOM 0 HA PRO A 12 -14.780 5.366 -1.367 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -17.438 6.001 -1.869 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -16.389 5.456 -3.162 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -18.399 3.882 -1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -18.090 3.841 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -17.097 1.937 -1.614 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -16.234 2.426 -3.059 1.00 0.00 H new ATOM 243 N ALA A 13 -16.429 4.332 1.082 1.00 0.00 N ATOM 244 CA ALA A 13 -16.845 4.629 2.447 1.00 0.00 C ATOM 245 C ALA A 13 -15.666 4.547 3.410 1.00 0.00 C ATOM 246 O ALA A 13 -15.746 5.017 4.545 1.00 0.00 O ATOM 247 CB ALA A 13 -17.950 3.676 2.880 1.00 0.00 C ATOM 0 H ALA A 13 -16.376 3.337 0.864 1.00 0.00 H new ATOM 0 HA ALA A 13 -17.229 5.649 2.470 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -18.252 3.909 3.901 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -18.806 3.786 2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -17.584 2.650 2.834 1.00 0.00 H new ATOM 253 N VAL A 14 -14.573 3.947 2.950 1.00 0.00 N ATOM 254 CA VAL A 14 -13.376 3.803 3.772 1.00 0.00 C ATOM 255 C VAL A 14 -12.727 5.157 4.037 1.00 0.00 C ATOM 256 O VAL A 14 -12.623 5.995 3.140 1.00 0.00 O ATOM 257 CB VAL A 14 -12.346 2.874 3.104 1.00 0.00 C ATOM 258 CG1 VAL A 14 -11.059 2.834 3.915 1.00 0.00 C ATOM 259 CG2 VAL A 14 -12.922 1.476 2.933 1.00 0.00 C ATOM 0 H VAL A 14 -14.491 3.553 2.013 1.00 0.00 H new ATOM 0 HA VAL A 14 -13.691 3.363 4.718 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.112 3.269 2.115 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -10.342 2.173 3.428 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -10.639 3.838 3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -11.272 2.463 4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.181 0.832 2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.185 1.069 3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -13.814 1.524 2.308 1.00 0.00 H new ATOM 269 N THR A 15 -12.291 5.366 5.275 1.00 0.00 N ATOM 270 CA THR A 15 -11.652 6.618 5.660 1.00 0.00 C ATOM 271 C THR A 15 -10.251 6.374 6.208 1.00 0.00 C ATOM 272 O THR A 15 -9.903 5.251 6.572 1.00 0.00 O ATOM 273 CB THR A 15 -12.482 7.370 6.717 1.00 0.00 C ATOM 274 OG1 THR A 15 -12.944 6.457 7.718 1.00 0.00 O ATOM 275 CG2 THR A 15 -13.669 8.071 6.075 1.00 0.00 C ATOM 0 H THR A 15 -12.369 4.683 6.029 1.00 0.00 H new ATOM 0 HA THR A 15 -11.585 7.229 4.760 1.00 0.00 H new ATOM 0 HB THR A 15 -11.844 8.122 7.180 1.00 0.00 H new ATOM 0 HG1 THR A 15 -13.470 6.944 8.387 1.00 0.00 H new ATOM 0 HG21 THR A 15 -14.240 8.595 6.841 1.00 0.00 H new ATOM 0 HG22 THR A 15 -13.312 8.787 5.335 1.00 0.00 H new ATOM 0 HG23 THR A 15 -14.307 7.334 5.588 1.00 0.00 H new ATOM 283 N ALA A 16 -9.450 7.434 6.267 1.00 0.00 N ATOM 284 CA ALA A 16 -8.088 7.335 6.774 1.00 0.00 C ATOM 285 C ALA A 16 -8.063 6.698 8.160 1.00 0.00 C ATOM 286 O ALA A 16 -7.183 5.896 8.470 1.00 0.00 O ATOM 287 CB ALA A 16 -7.437 8.709 6.811 1.00 0.00 C ATOM 0 H ALA A 16 -9.722 8.371 5.970 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.521 6.695 6.098 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -6.420 8.619 7.192 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.412 9.127 5.805 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -8.012 9.367 7.463 1.00 0.00 H new ATOM 293 N ASP A 17 -9.034 7.063 8.991 1.00 0.00 N ATOM 294 CA ASP A 17 -9.124 6.526 10.344 1.00 0.00 C ATOM 295 C ASP A 17 -9.318 5.014 10.318 1.00 0.00 C ATOM 296 O ASP A 17 -8.733 4.289 11.123 1.00 0.00 O ATOM 297 CB ASP A 17 -10.276 7.188 11.101 1.00 0.00 C ATOM 298 CG ASP A 17 -10.153 8.699 11.140 1.00 0.00 C ATOM 299 OD1 ASP A 17 -9.223 9.201 11.805 1.00 0.00 O ATOM 300 OD2 ASP A 17 -10.987 9.379 10.504 1.00 0.00 O ATOM 0 H ASP A 17 -9.769 7.728 8.751 1.00 0.00 H new ATOM 0 HA ASP A 17 -8.188 6.744 10.858 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.220 6.916 10.630 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.306 6.803 12.120 1.00 0.00 H new ATOM 305 N ASP A 18 -10.143 4.545 9.388 1.00 0.00 N ATOM 306 CA ASP A 18 -10.414 3.118 9.258 1.00 0.00 C ATOM 307 C ASP A 18 -9.164 2.366 8.808 1.00 0.00 C ATOM 308 O ASP A 18 -8.868 1.278 9.305 1.00 0.00 O ATOM 309 CB ASP A 18 -11.551 2.882 8.262 1.00 0.00 C ATOM 310 CG ASP A 18 -12.913 2.881 8.928 1.00 0.00 C ATOM 311 OD1 ASP A 18 -13.292 1.838 9.502 1.00 0.00 O ATOM 312 OD2 ASP A 18 -13.599 3.923 8.876 1.00 0.00 O ATOM 0 H ASP A 18 -10.635 5.131 8.714 1.00 0.00 H new ATOM 0 HA ASP A 18 -10.712 2.739 10.236 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -11.525 3.656 7.495 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -11.396 1.928 7.757 1.00 0.00 H new ATOM 317 N LEU A 19 -8.435 2.951 7.866 1.00 0.00 N ATOM 318 CA LEU A 19 -7.217 2.336 7.347 1.00 0.00 C ATOM 319 C LEU A 19 -6.205 2.108 8.465 1.00 0.00 C ATOM 320 O LEU A 19 -5.633 1.025 8.587 1.00 0.00 O ATOM 321 CB LEU A 19 -6.601 3.216 6.258 1.00 0.00 C ATOM 322 CG LEU A 19 -7.025 2.903 4.823 1.00 0.00 C ATOM 323 CD1 LEU A 19 -6.269 3.782 3.839 1.00 0.00 C ATOM 324 CD2 LEU A 19 -6.797 1.432 4.510 1.00 0.00 C ATOM 0 H LEU A 19 -8.665 3.851 7.445 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.482 1.370 6.917 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -6.854 4.255 6.472 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.516 3.132 6.322 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.090 3.115 4.724 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.584 3.545 2.823 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -6.482 4.830 4.050 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.199 3.602 3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -7.104 1.226 3.485 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.740 1.195 4.627 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -7.384 0.819 5.194 1.00 0.00 H new ATOM 336 N ARG A 20 -5.991 3.135 9.281 1.00 0.00 N ATOM 337 CA ARG A 20 -5.049 3.046 10.390 1.00 0.00 C ATOM 338 C ARG A 20 -5.532 2.046 11.436 1.00 0.00 C ATOM 339 O ARG A 20 -4.749 1.257 11.962 1.00 0.00 O ATOM 340 CB ARG A 20 -4.855 4.420 11.034 1.00 0.00 C ATOM 341 CG ARG A 20 -6.146 5.046 11.537 1.00 0.00 C ATOM 342 CD ARG A 20 -5.880 6.325 12.313 1.00 0.00 C ATOM 343 NE ARG A 20 -5.656 6.068 13.733 1.00 0.00 N ATOM 344 CZ ARG A 20 -5.268 6.999 14.597 1.00 0.00 C ATOM 345 NH1 ARG A 20 -5.063 8.243 14.187 1.00 0.00 N ATOM 346 NH2 ARG A 20 -5.085 6.687 15.873 1.00 0.00 N ATOM 0 H ARG A 20 -6.457 4.038 9.195 1.00 0.00 H new ATOM 0 HA ARG A 20 -4.094 2.699 9.995 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.158 4.326 11.867 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.395 5.090 10.308 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.800 5.261 10.692 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.672 4.335 12.174 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.009 6.828 11.894 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.726 7.002 12.196 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.806 5.121 14.081 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -5.203 8.486 13.206 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -4.765 8.957 14.852 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -5.242 5.731 16.192 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.787 7.403 16.535 1.00 0.00 H new ATOM 360 N GLN A 21 -6.828 2.087 11.732 1.00 0.00 N ATOM 361 CA GLN A 21 -7.416 1.185 12.716 1.00 0.00 C ATOM 362 C GLN A 21 -7.309 -0.265 12.256 1.00 0.00 C ATOM 363 O GLN A 21 -7.156 -1.176 13.071 1.00 0.00 O ATOM 364 CB GLN A 21 -8.880 1.548 12.961 1.00 0.00 C ATOM 365 CG GLN A 21 -9.070 2.659 13.981 1.00 0.00 C ATOM 366 CD GLN A 21 -8.802 2.198 15.401 1.00 0.00 C ATOM 367 OE1 GLN A 21 -8.837 1.003 15.695 1.00 0.00 O ATOM 368 NE2 GLN A 21 -8.532 3.146 16.290 1.00 0.00 N ATOM 0 H GLN A 21 -7.490 2.735 11.305 1.00 0.00 H new ATOM 0 HA GLN A 21 -6.862 1.293 13.648 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.333 1.852 12.017 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -9.414 0.660 13.300 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -8.403 3.487 13.740 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.089 3.040 13.913 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.513 4.124 16.002 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -8.343 2.896 17.261 1.00 0.00 H new ATOM 377 N LEU A 22 -7.391 -0.474 10.946 1.00 0.00 N ATOM 378 CA LEU A 22 -7.304 -1.814 10.378 1.00 0.00 C ATOM 379 C LEU A 22 -5.901 -2.388 10.548 1.00 0.00 C ATOM 380 O LEU A 22 -5.732 -3.515 11.014 1.00 0.00 O ATOM 381 CB LEU A 22 -7.679 -1.786 8.896 1.00 0.00 C ATOM 382 CG LEU A 22 -7.658 -3.133 8.171 1.00 0.00 C ATOM 383 CD1 LEU A 22 -8.728 -4.057 8.731 1.00 0.00 C ATOM 384 CD2 LEU A 22 -7.849 -2.937 6.675 1.00 0.00 C ATOM 0 H LEU A 22 -7.518 0.268 10.258 1.00 0.00 H new ATOM 0 HA LEU A 22 -8.006 -2.454 10.912 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.679 -1.362 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -6.997 -1.109 8.382 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.685 -3.597 8.334 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.698 -5.010 8.203 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.545 -4.224 9.793 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.709 -3.600 8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.831 -3.906 6.176 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.807 -2.452 6.491 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.045 -2.313 6.284 1.00 0.00 H new ATOM 396 N PHE A 23 -4.897 -1.604 10.170 1.00 0.00 N ATOM 397 CA PHE A 23 -3.508 -2.034 10.281 1.00 0.00 C ATOM 398 C PHE A 23 -3.119 -2.244 11.742 1.00 0.00 C ATOM 399 O PHE A 23 -2.489 -3.241 12.091 1.00 0.00 O ATOM 400 CB PHE A 23 -2.579 -1.001 9.638 1.00 0.00 C ATOM 401 CG PHE A 23 -2.332 -1.244 8.177 1.00 0.00 C ATOM 402 CD1 PHE A 23 -3.304 -0.943 7.237 1.00 0.00 C ATOM 403 CD2 PHE A 23 -1.128 -1.775 7.744 1.00 0.00 C ATOM 404 CE1 PHE A 23 -3.081 -1.166 5.891 1.00 0.00 C ATOM 405 CE2 PHE A 23 -0.899 -2.000 6.399 1.00 0.00 C ATOM 406 CZ PHE A 23 -1.876 -1.696 5.472 1.00 0.00 C ATOM 0 H PHE A 23 -5.019 -0.668 9.784 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.404 -2.983 9.755 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -3.010 -0.008 9.765 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.625 -1.004 10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -4.248 -0.529 7.560 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.360 -2.016 8.464 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.847 -0.926 5.169 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.044 -2.414 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.699 -1.872 4.421 1.00 0.00 H new ATOM 416 N GLY A 24 -3.501 -1.296 12.592 1.00 0.00 N ATOM 417 CA GLY A 24 -3.183 -1.394 14.005 1.00 0.00 C ATOM 418 C GLY A 24 -3.891 -2.554 14.678 1.00 0.00 C ATOM 419 O GLY A 24 -3.346 -3.178 15.589 1.00 0.00 O ATOM 0 H GLY A 24 -4.025 -0.462 12.328 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.106 -1.510 14.125 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.461 -0.465 14.502 1.00 0.00 H new ATOM 423 N ASP A 25 -5.107 -2.842 14.231 1.00 0.00 N ATOM 424 CA ASP A 25 -5.892 -3.935 14.797 1.00 0.00 C ATOM 425 C ASP A 25 -5.226 -5.280 14.520 1.00 0.00 C ATOM 426 O ASP A 25 -5.342 -6.214 15.314 1.00 0.00 O ATOM 427 CB ASP A 25 -7.309 -3.924 14.222 1.00 0.00 C ATOM 428 CG ASP A 25 -8.168 -5.042 14.781 1.00 0.00 C ATOM 429 OD1 ASP A 25 -7.718 -6.207 14.755 1.00 0.00 O ATOM 430 OD2 ASP A 25 -9.289 -4.750 15.246 1.00 0.00 O ATOM 0 H ASP A 25 -5.572 -2.335 13.478 1.00 0.00 H new ATOM 0 HA ASP A 25 -5.946 -3.792 15.876 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -7.779 -2.965 14.439 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -7.259 -4.016 13.137 1.00 0.00 H new ATOM 435 N ARG A 26 -4.532 -5.371 13.392 1.00 0.00 N ATOM 436 CA ARG A 26 -3.852 -6.602 13.009 1.00 0.00 C ATOM 437 C ARG A 26 -2.437 -6.640 13.579 1.00 0.00 C ATOM 438 O ARG A 26 -1.581 -7.383 13.097 1.00 0.00 O ATOM 439 CB ARG A 26 -3.803 -6.732 11.486 1.00 0.00 C ATOM 440 CG ARG A 26 -4.979 -7.498 10.903 1.00 0.00 C ATOM 441 CD ARG A 26 -4.654 -8.973 10.729 1.00 0.00 C ATOM 442 NE ARG A 26 -4.146 -9.570 11.962 1.00 0.00 N ATOM 443 CZ ARG A 26 -4.247 -10.862 12.248 1.00 0.00 C ATOM 444 NH1 ARG A 26 -4.834 -11.691 11.395 1.00 0.00 N ATOM 445 NH2 ARG A 26 -3.760 -11.330 13.391 1.00 0.00 N ATOM 0 H ARG A 26 -4.425 -4.606 12.726 1.00 0.00 H new ATOM 0 HA ARG A 26 -4.415 -7.441 13.419 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.775 -5.735 11.045 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.877 -7.232 11.202 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -5.845 -7.390 11.557 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -5.252 -7.069 9.939 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -5.549 -9.506 10.410 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.914 -9.090 9.937 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.689 -8.960 12.640 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.210 -11.336 10.516 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.910 -12.683 11.618 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.308 -10.696 14.050 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.838 -12.323 13.610 1.00 0.00 H new ATOM 459 N LYS A 27 -2.197 -5.834 14.607 1.00 0.00 N ATOM 460 CA LYS A 27 -0.886 -5.774 15.244 1.00 0.00 C ATOM 461 C LYS A 27 0.175 -5.290 14.261 1.00 0.00 C ATOM 462 O LYS A 27 1.356 -5.610 14.399 1.00 0.00 O ATOM 463 CB LYS A 27 -0.500 -7.149 15.792 1.00 0.00 C ATOM 464 CG LYS A 27 -0.944 -7.381 17.226 1.00 0.00 C ATOM 465 CD LYS A 27 -2.412 -7.767 17.299 1.00 0.00 C ATOM 466 CE LYS A 27 -3.304 -6.544 17.441 1.00 0.00 C ATOM 467 NZ LYS A 27 -3.308 -6.020 18.834 1.00 0.00 N ATOM 0 H LYS A 27 -2.894 -5.212 15.018 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.942 -5.064 16.069 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.937 -7.919 15.157 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.582 -7.263 15.733 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.337 -8.168 17.673 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.775 -6.477 17.811 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.689 -8.318 16.401 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.572 -8.435 18.145 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.962 -5.764 16.761 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.322 -6.800 17.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.928 -5.187 18.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.658 -6.755 19.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.341 -5.751 19.107 1.00 0.00 H new ATOM 481 N LEU A 28 -0.252 -4.516 13.269 1.00 0.00 N ATOM 482 CA LEU A 28 0.661 -3.986 12.264 1.00 0.00 C ATOM 483 C LEU A 28 0.636 -2.461 12.255 1.00 0.00 C ATOM 484 O LEU A 28 -0.020 -1.832 11.426 1.00 0.00 O ATOM 485 CB LEU A 28 0.293 -4.522 10.879 1.00 0.00 C ATOM 486 CG LEU A 28 0.616 -5.994 10.621 1.00 0.00 C ATOM 487 CD1 LEU A 28 -0.288 -6.556 9.536 1.00 0.00 C ATOM 488 CD2 LEU A 28 2.080 -6.159 10.237 1.00 0.00 C ATOM 0 H LEU A 28 -1.226 -4.242 13.140 1.00 0.00 H new ATOM 0 HA LEU A 28 1.670 -4.312 12.517 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.776 -4.373 10.726 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.809 -3.921 10.130 1.00 0.00 H new ATOM 0 HG LEU A 28 0.437 -6.552 11.540 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.044 -7.605 9.366 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.328 -6.472 9.850 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.141 -5.995 8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.292 -7.213 10.057 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.285 -5.588 9.332 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.712 -5.795 11.047 1.00 0.00 H new ATOM 500 N PRO A 29 1.370 -1.851 13.198 1.00 0.00 N ATOM 501 CA PRO A 29 1.451 -0.393 13.318 1.00 0.00 C ATOM 502 C PRO A 29 2.224 0.241 12.167 1.00 0.00 C ATOM 503 O PRO A 29 3.283 -0.249 11.772 1.00 0.00 O ATOM 504 CB PRO A 29 2.195 -0.186 14.640 1.00 0.00 C ATOM 505 CG PRO A 29 2.994 -1.430 14.823 1.00 0.00 C ATOM 506 CD PRO A 29 2.178 -2.540 14.219 1.00 0.00 C ATOM 0 HA PRO A 29 0.466 0.073 13.290 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.836 0.694 14.600 1.00 0.00 H new ATOM 0 HB3 PRO A 29 1.500 -0.037 15.466 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.963 -1.347 14.332 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.187 -1.618 15.879 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.811 -3.310 13.778 1.00 0.00 H new ATOM 0 HD3 PRO A 29 1.551 -3.030 14.964 1.00 0.00 H new ATOM 514 N LEU A 30 1.690 1.335 11.633 1.00 0.00 N ATOM 515 CA LEU A 30 2.330 2.037 10.526 1.00 0.00 C ATOM 516 C LEU A 30 3.364 3.034 11.041 1.00 0.00 C ATOM 517 O LEU A 30 3.015 4.093 11.562 1.00 0.00 O ATOM 518 CB LEU A 30 1.282 2.763 9.682 1.00 0.00 C ATOM 519 CG LEU A 30 0.193 1.884 9.064 1.00 0.00 C ATOM 520 CD1 LEU A 30 -1.095 2.674 8.890 1.00 0.00 C ATOM 521 CD2 LEU A 30 0.658 1.318 7.730 1.00 0.00 C ATOM 0 H LEU A 30 0.816 1.755 11.949 1.00 0.00 H new ATOM 0 HA LEU A 30 2.839 1.300 9.905 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.802 3.518 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.794 3.292 8.878 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.003 1.052 9.740 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.858 2.033 8.449 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.437 3.030 9.862 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.914 3.526 8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -0.129 0.695 7.305 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.883 2.136 7.046 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.554 0.716 7.883 1.00 0.00 H new ATOM 533 N ALA A 31 4.639 2.689 10.888 1.00 0.00 N ATOM 534 CA ALA A 31 5.723 3.555 11.333 1.00 0.00 C ATOM 535 C ALA A 31 6.095 4.566 10.254 1.00 0.00 C ATOM 536 O ALA A 31 7.263 4.923 10.100 1.00 0.00 O ATOM 537 CB ALA A 31 6.937 2.723 11.721 1.00 0.00 C ATOM 0 H ALA A 31 4.946 1.816 10.459 1.00 0.00 H new ATOM 0 HA ALA A 31 5.379 4.107 12.208 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.739 3.382 12.052 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.669 2.044 12.530 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.273 2.146 10.859 1.00 0.00 H new ATOM 543 N GLY A 32 5.094 5.025 9.509 1.00 0.00 N ATOM 544 CA GLY A 32 5.337 5.990 8.452 1.00 0.00 C ATOM 545 C GLY A 32 4.141 6.885 8.199 1.00 0.00 C ATOM 546 O GLY A 32 3.407 7.226 9.125 1.00 0.00 O ATOM 0 H GLY A 32 4.119 4.746 9.618 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.198 6.605 8.716 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.592 5.462 7.533 1.00 0.00 H new ATOM 550 N GLN A 33 3.947 7.269 6.941 1.00 0.00 N ATOM 551 CA GLN A 33 2.833 8.132 6.570 1.00 0.00 C ATOM 552 C GLN A 33 1.754 7.343 5.836 1.00 0.00 C ATOM 553 O GLN A 33 2.033 6.317 5.216 1.00 0.00 O ATOM 554 CB GLN A 33 3.324 9.285 5.693 1.00 0.00 C ATOM 555 CG GLN A 33 2.269 10.351 5.443 1.00 0.00 C ATOM 556 CD GLN A 33 2.808 11.532 4.659 1.00 0.00 C ATOM 557 OE1 GLN A 33 3.087 11.425 3.464 1.00 0.00 O ATOM 558 NE2 GLN A 33 2.958 12.669 5.329 1.00 0.00 N ATOM 0 H GLN A 33 4.547 6.996 6.163 1.00 0.00 H new ATOM 0 HA GLN A 33 2.401 8.539 7.484 1.00 0.00 H new ATOM 0 HB2 GLN A 33 4.190 9.747 6.166 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.659 8.885 4.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.433 9.910 4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.878 10.702 6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.714 12.714 6.318 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.317 13.497 4.854 1.00 0.00 H new ATOM 567 N VAL A 34 0.518 7.829 5.909 1.00 0.00 N ATOM 568 CA VAL A 34 -0.603 7.169 5.251 1.00 0.00 C ATOM 569 C VAL A 34 -1.292 8.109 4.268 1.00 0.00 C ATOM 570 O VAL A 34 -1.537 9.277 4.575 1.00 0.00 O ATOM 571 CB VAL A 34 -1.638 6.666 6.274 1.00 0.00 C ATOM 572 CG1 VAL A 34 -2.769 5.931 5.573 1.00 0.00 C ATOM 573 CG2 VAL A 34 -0.971 5.774 7.310 1.00 0.00 C ATOM 0 H VAL A 34 0.268 8.677 6.417 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.195 6.316 4.710 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.063 7.527 6.789 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -3.490 5.583 6.312 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.263 6.606 4.874 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.366 5.076 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.717 5.427 8.025 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.518 4.916 6.814 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.200 6.339 7.834 1.00 0.00 H new ATOM 583 N LEU A 35 -1.603 7.592 3.084 1.00 0.00 N ATOM 584 CA LEU A 35 -2.265 8.385 2.053 1.00 0.00 C ATOM 585 C LEU A 35 -3.499 7.663 1.520 1.00 0.00 C ATOM 586 O LEU A 35 -3.424 6.504 1.110 1.00 0.00 O ATOM 587 CB LEU A 35 -1.297 8.679 0.906 1.00 0.00 C ATOM 588 CG LEU A 35 -0.445 9.940 1.054 1.00 0.00 C ATOM 589 CD1 LEU A 35 0.862 9.622 1.763 1.00 0.00 C ATOM 590 CD2 LEU A 35 -0.177 10.565 -0.308 1.00 0.00 C ATOM 0 H LEU A 35 -1.408 6.628 2.814 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.582 9.326 2.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.629 7.825 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.872 8.759 -0.017 1.00 0.00 H new ATOM 0 HG LEU A 35 -0.997 10.659 1.660 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.455 10.532 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.650 9.221 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.420 8.885 1.185 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.431 11.461 -0.184 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.354 9.851 -0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -1.123 10.831 -0.779 1.00 0.00 H new ATOM 602 N LEU A 36 -4.632 8.356 1.526 1.00 0.00 N ATOM 603 CA LEU A 36 -5.883 7.782 1.040 1.00 0.00 C ATOM 604 C LEU A 36 -6.346 8.485 -0.232 1.00 0.00 C ATOM 605 O LEU A 36 -6.678 9.670 -0.213 1.00 0.00 O ATOM 606 CB LEU A 36 -6.965 7.884 2.117 1.00 0.00 C ATOM 607 CG LEU A 36 -8.391 7.569 1.664 1.00 0.00 C ATOM 608 CD1 LEU A 36 -8.536 6.089 1.345 1.00 0.00 C ATOM 609 CD2 LEU A 36 -9.392 7.986 2.733 1.00 0.00 C ATOM 0 H LEU A 36 -4.711 9.316 1.862 1.00 0.00 H new ATOM 0 HA LEU A 36 -5.708 6.731 0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.705 7.207 2.931 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -6.949 8.894 2.526 1.00 0.00 H new ATOM 0 HG LEU A 36 -8.598 8.136 0.757 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -9.557 5.884 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -7.844 5.819 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -8.310 5.501 2.235 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -10.402 7.755 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -9.185 7.444 3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -9.306 9.057 2.914 1.00 0.00 H new ATOM 621 N LYS A 37 -6.369 7.745 -1.336 1.00 0.00 N ATOM 622 CA LYS A 37 -6.795 8.294 -2.616 1.00 0.00 C ATOM 623 C LYS A 37 -8.138 7.706 -3.041 1.00 0.00 C ATOM 624 O LYS A 37 -8.527 6.632 -2.583 1.00 0.00 O ATOM 625 CB LYS A 37 -5.742 8.015 -3.691 1.00 0.00 C ATOM 626 CG LYS A 37 -4.553 8.958 -3.635 1.00 0.00 C ATOM 627 CD LYS A 37 -4.985 10.410 -3.756 1.00 0.00 C ATOM 628 CE LYS A 37 -3.802 11.324 -4.031 1.00 0.00 C ATOM 629 NZ LYS A 37 -4.067 12.723 -3.593 1.00 0.00 N ATOM 0 H LYS A 37 -6.097 6.762 -1.369 1.00 0.00 H new ATOM 0 HA LYS A 37 -6.910 9.372 -2.500 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -5.388 6.990 -3.584 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.209 8.090 -4.673 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -4.017 8.814 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -3.858 8.716 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -5.715 10.507 -4.559 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.480 10.721 -2.836 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.921 10.943 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -3.576 11.314 -5.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.236 13.314 -3.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -4.892 13.096 -4.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -4.258 12.736 -2.571 1.00 0.00 H new ATOM 643 N SER A 38 -8.839 8.416 -3.919 1.00 0.00 N ATOM 644 CA SER A 38 -10.138 7.965 -4.403 1.00 0.00 C ATOM 645 C SER A 38 -9.994 6.704 -5.251 1.00 0.00 C ATOM 646 O SER A 38 -9.729 6.775 -6.449 1.00 0.00 O ATOM 647 CB SER A 38 -10.812 9.069 -5.221 1.00 0.00 C ATOM 648 OG SER A 38 -11.021 10.229 -4.436 1.00 0.00 O ATOM 0 H SER A 38 -8.529 9.306 -4.310 1.00 0.00 H new ATOM 0 HA SER A 38 -10.760 7.732 -3.539 1.00 0.00 H new ATOM 0 HB2 SER A 38 -10.193 9.316 -6.083 1.00 0.00 H new ATOM 0 HB3 SER A 38 -11.766 8.710 -5.606 1.00 0.00 H new ATOM 0 HG SER A 38 -11.451 10.920 -4.982 1.00 0.00 H new ATOM 654 N GLY A 39 -10.172 5.550 -4.616 1.00 0.00 N ATOM 655 CA GLY A 39 -10.058 4.288 -5.325 1.00 0.00 C ATOM 656 C GLY A 39 -8.859 3.476 -4.876 1.00 0.00 C ATOM 657 O GLY A 39 -8.797 2.268 -5.104 1.00 0.00 O ATOM 0 H GLY A 39 -10.393 5.466 -3.624 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -10.966 3.705 -5.171 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.982 4.482 -6.395 1.00 0.00 H new ATOM 661 N TYR A 40 -7.903 4.141 -4.236 1.00 0.00 N ATOM 662 CA TYR A 40 -6.698 3.474 -3.757 1.00 0.00 C ATOM 663 C TYR A 40 -6.072 4.245 -2.598 1.00 0.00 C ATOM 664 O TYR A 40 -6.561 5.305 -2.208 1.00 0.00 O ATOM 665 CB TYR A 40 -5.684 3.329 -4.893 1.00 0.00 C ATOM 666 CG TYR A 40 -5.496 4.592 -5.702 1.00 0.00 C ATOM 667 CD1 TYR A 40 -6.321 4.879 -6.783 1.00 0.00 C ATOM 668 CD2 TYR A 40 -4.494 5.500 -5.385 1.00 0.00 C ATOM 669 CE1 TYR A 40 -6.152 6.031 -7.525 1.00 0.00 C ATOM 670 CE2 TYR A 40 -4.318 6.656 -6.120 1.00 0.00 C ATOM 671 CZ TYR A 40 -5.150 6.917 -7.190 1.00 0.00 C ATOM 672 OH TYR A 40 -4.979 8.067 -7.925 1.00 0.00 O ATOM 0 H TYR A 40 -7.939 5.141 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.980 2.483 -3.401 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.723 3.029 -4.475 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -6.007 2.527 -5.557 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.108 4.189 -7.047 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.841 5.299 -4.549 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.801 6.237 -8.363 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.534 7.352 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.231 8.582 -7.557 1.00 0.00 H new ATOM 682 N ALA A 41 -4.988 3.703 -2.053 1.00 0.00 N ATOM 683 CA ALA A 41 -4.293 4.340 -0.942 1.00 0.00 C ATOM 684 C ALA A 41 -2.841 3.881 -0.865 1.00 0.00 C ATOM 685 O ALA A 41 -2.505 2.779 -1.302 1.00 0.00 O ATOM 686 CB ALA A 41 -5.011 4.046 0.368 1.00 0.00 C ATOM 0 H ALA A 41 -4.572 2.825 -2.363 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.297 5.416 -1.114 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.481 4.528 1.190 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.030 4.430 0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.037 2.969 0.535 1.00 0.00 H new ATOM 692 N PHE A 42 -1.984 4.730 -0.310 1.00 0.00 N ATOM 693 CA PHE A 42 -0.568 4.411 -0.178 1.00 0.00 C ATOM 694 C PHE A 42 -0.140 4.422 1.287 1.00 0.00 C ATOM 695 O PHE A 42 -0.540 5.297 2.054 1.00 0.00 O ATOM 696 CB PHE A 42 0.278 5.408 -0.975 1.00 0.00 C ATOM 697 CG PHE A 42 -0.281 5.715 -2.335 1.00 0.00 C ATOM 698 CD1 PHE A 42 -0.110 4.827 -3.385 1.00 0.00 C ATOM 699 CD2 PHE A 42 -0.978 6.891 -2.564 1.00 0.00 C ATOM 700 CE1 PHE A 42 -0.623 5.108 -4.638 1.00 0.00 C ATOM 701 CE2 PHE A 42 -1.493 7.177 -3.814 1.00 0.00 C ATOM 702 CZ PHE A 42 -1.315 6.283 -4.852 1.00 0.00 C ATOM 0 H PHE A 42 -2.246 5.645 0.056 1.00 0.00 H new ATOM 0 HA PHE A 42 -0.410 3.409 -0.577 1.00 0.00 H new ATOM 0 HB2 PHE A 42 0.363 6.335 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 42 1.286 5.009 -1.087 1.00 0.00 H new ATOM 0 HD1 PHE A 42 0.430 3.906 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.120 7.593 -1.755 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.482 4.408 -5.449 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -2.033 8.097 -3.979 1.00 0.00 H new ATOM 0 HZ PHE A 42 -1.717 6.503 -5.830 1.00 0.00 H new ATOM 712 N VAL A 43 0.675 3.444 1.666 1.00 0.00 N ATOM 713 CA VAL A 43 1.157 3.340 3.038 1.00 0.00 C ATOM 714 C VAL A 43 2.666 3.130 3.076 1.00 0.00 C ATOM 715 O VAL A 43 3.223 2.403 2.253 1.00 0.00 O ATOM 716 CB VAL A 43 0.470 2.183 3.788 1.00 0.00 C ATOM 717 CG1 VAL A 43 -0.996 2.504 4.038 1.00 0.00 C ATOM 718 CG2 VAL A 43 0.615 0.884 3.011 1.00 0.00 C ATOM 0 H VAL A 43 1.016 2.712 1.043 1.00 0.00 H new ATOM 0 HA VAL A 43 0.911 4.280 3.532 1.00 0.00 H new ATOM 0 HB VAL A 43 0.959 2.058 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.465 1.675 4.569 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -1.073 3.410 4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -1.503 2.657 3.085 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.124 0.078 3.556 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.153 0.993 2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.672 0.649 2.890 1.00 0.00 H new ATOM 728 N ASP A 44 3.324 3.771 4.037 1.00 0.00 N ATOM 729 CA ASP A 44 4.769 3.654 4.183 1.00 0.00 C ATOM 730 C ASP A 44 5.127 2.566 5.191 1.00 0.00 C ATOM 731 O ASP A 44 4.706 2.614 6.346 1.00 0.00 O ATOM 732 CB ASP A 44 5.369 4.991 4.624 1.00 0.00 C ATOM 733 CG ASP A 44 6.885 4.963 4.655 1.00 0.00 C ATOM 734 OD1 ASP A 44 7.448 4.061 5.308 1.00 0.00 O ATOM 735 OD2 ASP A 44 7.506 5.844 4.025 1.00 0.00 O ATOM 0 H ASP A 44 2.878 4.377 4.726 1.00 0.00 H new ATOM 0 HA ASP A 44 5.186 3.379 3.214 1.00 0.00 H new ATOM 0 HB2 ASP A 44 5.037 5.777 3.945 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.993 5.246 5.615 1.00 0.00 H new ATOM 740 N TYR A 45 5.905 1.586 4.743 1.00 0.00 N ATOM 741 CA TYR A 45 6.316 0.483 5.605 1.00 0.00 C ATOM 742 C TYR A 45 7.689 0.751 6.213 1.00 0.00 C ATOM 743 O TYR A 45 8.557 1.374 5.602 1.00 0.00 O ATOM 744 CB TYR A 45 6.342 -0.825 4.815 1.00 0.00 C ATOM 745 CG TYR A 45 7.115 -0.735 3.518 1.00 0.00 C ATOM 746 CD1 TYR A 45 6.557 -0.138 2.394 1.00 0.00 C ATOM 747 CD2 TYR A 45 8.403 -1.248 3.416 1.00 0.00 C ATOM 748 CE1 TYR A 45 7.259 -0.054 1.208 1.00 0.00 C ATOM 749 CE2 TYR A 45 9.112 -1.167 2.234 1.00 0.00 C ATOM 750 CZ TYR A 45 8.536 -0.569 1.132 1.00 0.00 C ATOM 751 OH TYR A 45 9.239 -0.488 -0.048 1.00 0.00 O ATOM 0 H TYR A 45 6.263 1.533 3.789 1.00 0.00 H new ATOM 0 HA TYR A 45 5.591 0.396 6.414 1.00 0.00 H new ATOM 0 HB2 TYR A 45 6.781 -1.606 5.436 1.00 0.00 H new ATOM 0 HB3 TYR A 45 5.318 -1.129 4.597 1.00 0.00 H new ATOM 0 HD1 TYR A 45 5.557 0.267 2.449 1.00 0.00 H new ATOM 0 HD2 TYR A 45 8.857 -1.718 4.276 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.810 0.413 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 45 10.112 -1.570 2.172 1.00 0.00 H new ATOM 0 HH TYR A 45 10.122 -0.897 0.069 1.00 0.00 H new ATOM 761 N PRO A 46 7.893 0.267 7.448 1.00 0.00 N ATOM 762 CA PRO A 46 9.157 0.440 8.168 1.00 0.00 C ATOM 763 C PRO A 46 10.289 -0.379 7.555 1.00 0.00 C ATOM 764 O PRO A 46 11.385 0.134 7.327 1.00 0.00 O ATOM 765 CB PRO A 46 8.836 -0.063 9.577 1.00 0.00 C ATOM 766 CG PRO A 46 7.707 -1.017 9.389 1.00 0.00 C ATOM 767 CD PRO A 46 6.902 -0.486 8.236 1.00 0.00 C ATOM 0 HA PRO A 46 9.504 1.473 8.139 1.00 0.00 H new ATOM 0 HB2 PRO A 46 9.698 -0.554 10.028 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.555 0.758 10.236 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.076 -2.021 9.178 1.00 0.00 H new ATOM 0 HG3 PRO A 46 7.099 -1.084 10.291 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.453 -1.291 7.654 1.00 0.00 H new ATOM 0 HD3 PRO A 46 6.088 0.154 8.575 1.00 0.00 H new ATOM 775 N ASP A 47 10.016 -1.651 7.290 1.00 0.00 N ATOM 776 CA ASP A 47 11.012 -2.540 6.702 1.00 0.00 C ATOM 777 C ASP A 47 10.375 -3.455 5.660 1.00 0.00 C ATOM 778 O ASP A 47 9.151 -3.527 5.549 1.00 0.00 O ATOM 779 CB ASP A 47 11.685 -3.378 7.791 1.00 0.00 C ATOM 780 CG ASP A 47 12.643 -2.564 8.638 1.00 0.00 C ATOM 781 OD1 ASP A 47 13.265 -1.625 8.095 1.00 0.00 O ATOM 782 OD2 ASP A 47 12.770 -2.863 9.843 1.00 0.00 O ATOM 0 H ASP A 47 9.114 -2.090 7.473 1.00 0.00 H new ATOM 0 HA ASP A 47 11.766 -1.926 6.209 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.921 -3.817 8.432 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.225 -4.204 7.328 1.00 0.00 H new ATOM 787 N GLN A 48 11.213 -4.149 4.899 1.00 0.00 N ATOM 788 CA GLN A 48 10.732 -5.058 3.865 1.00 0.00 C ATOM 789 C GLN A 48 10.009 -6.251 4.482 1.00 0.00 C ATOM 790 O GLN A 48 9.001 -6.718 3.953 1.00 0.00 O ATOM 791 CB GLN A 48 11.897 -5.544 3.001 1.00 0.00 C ATOM 792 CG GLN A 48 11.467 -6.433 1.844 1.00 0.00 C ATOM 793 CD GLN A 48 12.546 -6.581 0.790 1.00 0.00 C ATOM 794 OE1 GLN A 48 13.729 -6.708 1.109 1.00 0.00 O ATOM 795 NE2 GLN A 48 12.145 -6.567 -0.475 1.00 0.00 N ATOM 0 H GLN A 48 12.229 -4.100 4.978 1.00 0.00 H new ATOM 0 HA GLN A 48 10.026 -4.513 3.238 1.00 0.00 H new ATOM 0 HB2 GLN A 48 12.430 -4.680 2.605 1.00 0.00 H new ATOM 0 HB3 GLN A 48 12.600 -6.093 3.628 1.00 0.00 H new ATOM 0 HG2 GLN A 48 11.201 -7.418 2.227 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.570 -6.017 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 48 11.155 -6.460 -0.695 1.00 0.00 H new ATOM 0 HE22 GLN A 48 12.827 -6.664 -1.227 1.00 0.00 H new ATOM 804 N ASN A 49 10.531 -6.738 5.602 1.00 0.00 N ATOM 805 CA ASN A 49 9.934 -7.877 6.291 1.00 0.00 C ATOM 806 C ASN A 49 8.522 -7.548 6.766 1.00 0.00 C ATOM 807 O ASN A 49 7.605 -8.356 6.626 1.00 0.00 O ATOM 808 CB ASN A 49 10.801 -8.290 7.481 1.00 0.00 C ATOM 809 CG ASN A 49 10.184 -9.423 8.280 1.00 0.00 C ATOM 810 OD1 ASN A 49 10.471 -10.595 8.040 1.00 0.00 O ATOM 811 ND2 ASN A 49 9.332 -9.075 9.237 1.00 0.00 N ATOM 0 H ASN A 49 11.366 -6.363 6.052 1.00 0.00 H new ATOM 0 HA ASN A 49 9.876 -8.706 5.586 1.00 0.00 H new ATOM 0 HB2 ASN A 49 11.784 -8.595 7.122 1.00 0.00 H new ATOM 0 HB3 ASN A 49 10.952 -7.430 8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 49 8.886 -9.793 9.808 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.124 -8.090 9.401 1.00 0.00 H new ATOM 818 N TRP A 50 8.356 -6.356 7.327 1.00 0.00 N ATOM 819 CA TRP A 50 7.056 -5.919 7.822 1.00 0.00 C ATOM 820 C TRP A 50 6.061 -5.763 6.677 1.00 0.00 C ATOM 821 O TRP A 50 4.901 -6.157 6.793 1.00 0.00 O ATOM 822 CB TRP A 50 7.193 -4.596 8.578 1.00 0.00 C ATOM 823 CG TRP A 50 5.885 -4.053 9.067 1.00 0.00 C ATOM 824 CD1 TRP A 50 5.402 -4.104 10.344 1.00 0.00 C ATOM 825 CD2 TRP A 50 4.891 -3.380 8.288 1.00 0.00 C ATOM 826 NE1 TRP A 50 4.168 -3.502 10.405 1.00 0.00 N ATOM 827 CE2 TRP A 50 3.833 -3.049 9.156 1.00 0.00 C ATOM 828 CE3 TRP A 50 4.793 -3.022 6.940 1.00 0.00 C ATOM 829 CZ2 TRP A 50 2.692 -2.379 8.720 1.00 0.00 C ATOM 830 CZ3 TRP A 50 3.660 -2.358 6.508 1.00 0.00 C ATOM 831 CH2 TRP A 50 2.623 -2.041 7.396 1.00 0.00 C ATOM 0 H TRP A 50 9.105 -5.675 7.450 1.00 0.00 H new ATOM 0 HA TRP A 50 6.680 -6.682 8.504 1.00 0.00 H new ATOM 0 HB2 TRP A 50 7.859 -4.739 9.429 1.00 0.00 H new ATOM 0 HB3 TRP A 50 7.663 -3.860 7.925 1.00 0.00 H new ATOM 0 HD1 TRP A 50 5.915 -4.552 11.183 1.00 0.00 H new ATOM 0 HE1 TRP A 50 3.595 -3.408 11.243 1.00 0.00 H new ATOM 0 HE3 TRP A 50 5.588 -3.260 6.249 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 1.891 -2.135 9.402 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 3.572 -2.079 5.468 1.00 0.00 H new ATOM 0 HH2 TRP A 50 1.752 -1.519 7.028 1.00 0.00 H new ATOM 842 N ALA A 51 6.523 -5.187 5.572 1.00 0.00 N ATOM 843 CA ALA A 51 5.674 -4.983 4.406 1.00 0.00 C ATOM 844 C ALA A 51 5.203 -6.314 3.829 1.00 0.00 C ATOM 845 O ALA A 51 4.011 -6.509 3.587 1.00 0.00 O ATOM 846 CB ALA A 51 6.415 -4.180 3.347 1.00 0.00 C ATOM 0 H ALA A 51 7.481 -4.854 5.460 1.00 0.00 H new ATOM 0 HA ALA A 51 4.794 -4.422 4.723 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.768 -4.035 2.482 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.696 -3.210 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 51 7.312 -4.719 3.043 1.00 0.00 H new ATOM 852 N ILE A 52 6.145 -7.225 3.610 1.00 0.00 N ATOM 853 CA ILE A 52 5.825 -8.537 3.062 1.00 0.00 C ATOM 854 C ILE A 52 4.834 -9.279 3.953 1.00 0.00 C ATOM 855 O ILE A 52 3.867 -9.866 3.468 1.00 0.00 O ATOM 856 CB ILE A 52 7.089 -9.400 2.891 1.00 0.00 C ATOM 857 CG1 ILE A 52 8.056 -8.736 1.908 1.00 0.00 C ATOM 858 CG2 ILE A 52 6.718 -10.796 2.416 1.00 0.00 C ATOM 859 CD1 ILE A 52 9.481 -9.231 2.035 1.00 0.00 C ATOM 0 H ILE A 52 7.136 -7.079 3.804 1.00 0.00 H new ATOM 0 HA ILE A 52 5.375 -8.368 2.084 1.00 0.00 H new ATOM 0 HB ILE A 52 7.585 -9.487 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.707 -8.915 0.891 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.039 -7.658 2.066 1.00 0.00 H new ATOM 0 HG21 ILE A 52 7.622 -11.393 2.300 1.00 0.00 H new ATOM 0 HG22 ILE A 52 6.063 -11.268 3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 52 6.202 -10.729 1.458 1.00 0.00 H new ATOM 0 HD11 ILE A 52 10.111 -8.718 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.848 -9.028 3.041 1.00 0.00 H new ATOM 0 HD13 ILE A 52 9.511 -10.304 1.847 1.00 0.00 H new ATOM 871 N ARG A 53 5.081 -9.245 5.258 1.00 0.00 N ATOM 872 CA ARG A 53 4.211 -9.913 6.218 1.00 0.00 C ATOM 873 C ARG A 53 2.866 -9.199 6.321 1.00 0.00 C ATOM 874 O ARG A 53 1.821 -9.838 6.442 1.00 0.00 O ATOM 875 CB ARG A 53 4.879 -9.966 7.594 1.00 0.00 C ATOM 876 CG ARG A 53 4.173 -10.885 8.578 1.00 0.00 C ATOM 877 CD ARG A 53 4.357 -12.348 8.204 1.00 0.00 C ATOM 878 NE ARG A 53 5.715 -12.815 8.470 1.00 0.00 N ATOM 879 CZ ARG A 53 6.036 -14.095 8.620 1.00 0.00 C ATOM 880 NH1 ARG A 53 5.102 -15.031 8.530 1.00 0.00 N ATOM 881 NH2 ARG A 53 7.294 -14.441 8.860 1.00 0.00 N ATOM 0 H ARG A 53 5.877 -8.762 5.675 1.00 0.00 H new ATOM 0 HA ARG A 53 4.037 -10.930 5.867 1.00 0.00 H new ATOM 0 HB2 ARG A 53 5.910 -10.298 7.475 1.00 0.00 H new ATOM 0 HB3 ARG A 53 4.914 -8.959 8.011 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.562 -10.713 9.582 1.00 0.00 H new ATOM 0 HG3 ARG A 53 3.110 -10.646 8.603 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.648 -12.957 8.765 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.128 -12.483 7.147 1.00 0.00 H new ATOM 0 HE ARG A 53 6.458 -12.120 8.545 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.134 -14.769 8.345 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.352 -16.013 8.646 1.00 0.00 H new ATOM 0 HH21 ARG A 53 8.016 -13.724 8.930 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.539 -15.424 8.975 1.00 0.00 H new ATOM 895 N ALA A 54 2.901 -7.871 6.273 1.00 0.00 N ATOM 896 CA ALA A 54 1.686 -7.071 6.360 1.00 0.00 C ATOM 897 C ALA A 54 0.787 -7.306 5.150 1.00 0.00 C ATOM 898 O ALA A 54 -0.419 -7.510 5.293 1.00 0.00 O ATOM 899 CB ALA A 54 2.034 -5.595 6.482 1.00 0.00 C ATOM 0 H ALA A 54 3.758 -7.327 6.174 1.00 0.00 H new ATOM 0 HA ALA A 54 1.140 -7.379 7.252 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.117 -5.009 6.546 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.631 -5.435 7.380 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.604 -5.282 5.607 1.00 0.00 H new ATOM 905 N ILE A 55 1.381 -7.275 3.962 1.00 0.00 N ATOM 906 CA ILE A 55 0.633 -7.486 2.729 1.00 0.00 C ATOM 907 C ILE A 55 0.058 -8.897 2.668 1.00 0.00 C ATOM 908 O ILE A 55 -1.118 -9.085 2.364 1.00 0.00 O ATOM 909 CB ILE A 55 1.515 -7.248 1.489 1.00 0.00 C ATOM 910 CG1 ILE A 55 1.991 -5.795 1.445 1.00 0.00 C ATOM 911 CG2 ILE A 55 0.750 -7.598 0.220 1.00 0.00 C ATOM 912 CD1 ILE A 55 3.198 -5.581 0.558 1.00 0.00 C ATOM 0 H ILE A 55 2.378 -7.106 3.827 1.00 0.00 H new ATOM 0 HA ILE A 55 -0.184 -6.764 2.728 1.00 0.00 H new ATOM 0 HB ILE A 55 2.389 -7.895 1.554 1.00 0.00 H new ATOM 0 HG12 ILE A 55 1.175 -5.164 1.093 1.00 0.00 H new ATOM 0 HG13 ILE A 55 2.232 -5.469 2.457 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.386 -7.425 -0.648 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.455 -8.647 0.250 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.140 -6.973 0.148 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.480 -4.528 0.575 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.029 -6.185 0.922 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.956 -5.875 -0.463 1.00 0.00 H new ATOM 924 N GLU A 56 0.899 -9.885 2.961 1.00 0.00 N ATOM 925 CA GLU A 56 0.473 -11.279 2.940 1.00 0.00 C ATOM 926 C GLU A 56 -0.615 -11.532 3.979 1.00 0.00 C ATOM 927 O GLU A 56 -1.546 -12.302 3.746 1.00 0.00 O ATOM 928 CB GLU A 56 1.665 -12.203 3.199 1.00 0.00 C ATOM 929 CG GLU A 56 2.418 -12.593 1.937 1.00 0.00 C ATOM 930 CD GLU A 56 1.610 -13.506 1.035 1.00 0.00 C ATOM 931 OE1 GLU A 56 0.625 -13.027 0.437 1.00 0.00 O ATOM 932 OE2 GLU A 56 1.965 -14.698 0.927 1.00 0.00 O ATOM 0 H GLU A 56 1.877 -9.746 3.215 1.00 0.00 H new ATOM 0 HA GLU A 56 0.064 -11.492 1.952 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.354 -11.710 3.885 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.312 -13.107 3.696 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.689 -11.692 1.387 1.00 0.00 H new ATOM 0 HG3 GLU A 56 3.348 -13.090 2.212 1.00 0.00 H new ATOM 939 N THR A 57 -0.489 -10.877 5.130 1.00 0.00 N ATOM 940 CA THR A 57 -1.459 -11.031 6.207 1.00 0.00 C ATOM 941 C THR A 57 -2.692 -10.167 5.964 1.00 0.00 C ATOM 942 O THR A 57 -3.790 -10.495 6.416 1.00 0.00 O ATOM 943 CB THR A 57 -0.848 -10.661 7.571 1.00 0.00 C ATOM 944 OG1 THR A 57 0.034 -11.699 8.011 1.00 0.00 O ATOM 945 CG2 THR A 57 -1.936 -10.439 8.610 1.00 0.00 C ATOM 0 H THR A 57 0.275 -10.235 5.340 1.00 0.00 H new ATOM 0 HA THR A 57 -1.751 -12.081 6.221 1.00 0.00 H new ATOM 0 HB THR A 57 -0.287 -9.734 7.453 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.941 -11.517 7.686 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.479 -10.179 9.565 1.00 0.00 H new ATOM 0 HG22 THR A 57 -2.588 -9.628 8.286 1.00 0.00 H new ATOM 0 HG23 THR A 57 -2.522 -11.351 8.724 1.00 0.00 H new ATOM 953 N LEU A 58 -2.503 -9.065 5.248 1.00 0.00 N ATOM 954 CA LEU A 58 -3.601 -8.153 4.944 1.00 0.00 C ATOM 955 C LEU A 58 -4.273 -8.530 3.627 1.00 0.00 C ATOM 956 O LEU A 58 -5.397 -9.033 3.614 1.00 0.00 O ATOM 957 CB LEU A 58 -3.091 -6.713 4.876 1.00 0.00 C ATOM 958 CG LEU A 58 -2.674 -6.085 6.206 1.00 0.00 C ATOM 959 CD1 LEU A 58 -1.890 -4.805 5.969 1.00 0.00 C ATOM 960 CD2 LEU A 58 -3.895 -5.812 7.072 1.00 0.00 C ATOM 0 H LEU A 58 -1.601 -8.781 4.867 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.338 -8.233 5.743 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.237 -6.683 4.199 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.871 -6.093 4.433 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.030 -6.789 6.732 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.602 -4.372 6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -0.995 -5.029 5.388 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.510 -4.095 5.422 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.580 -5.365 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.564 -5.127 6.552 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.417 -6.748 7.271 1.00 0.00 H new ATOM 972 N SER A 59 -3.577 -8.285 2.522 1.00 0.00 N ATOM 973 CA SER A 59 -4.106 -8.597 1.200 1.00 0.00 C ATOM 974 C SER A 59 -4.468 -10.074 1.095 1.00 0.00 C ATOM 975 O SER A 59 -3.627 -10.949 1.303 1.00 0.00 O ATOM 976 CB SER A 59 -3.085 -8.231 0.120 1.00 0.00 C ATOM 977 OG SER A 59 -3.676 -8.254 -1.168 1.00 0.00 O ATOM 0 H SER A 59 -2.645 -7.871 2.516 1.00 0.00 H new ATOM 0 HA SER A 59 -5.011 -8.008 1.049 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.679 -7.239 0.320 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.249 -8.930 0.153 1.00 0.00 H new ATOM 0 HG SER A 59 -2.975 -8.335 -1.848 1.00 0.00 H new ATOM 983 N GLY A 60 -5.728 -10.347 0.768 1.00 0.00 N ATOM 984 CA GLY A 60 -6.181 -11.720 0.641 1.00 0.00 C ATOM 985 C GLY A 60 -6.539 -12.339 1.977 1.00 0.00 C ATOM 986 O GLY A 60 -7.071 -13.448 2.034 1.00 0.00 O ATOM 0 H GLY A 60 -6.443 -9.642 0.589 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.050 -11.753 -0.016 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.400 -12.314 0.166 1.00 0.00 H new ATOM 990 N LYS A 61 -6.246 -11.622 3.057 1.00 0.00 N ATOM 991 CA LYS A 61 -6.540 -12.106 4.401 1.00 0.00 C ATOM 992 C LYS A 61 -7.282 -11.049 5.210 1.00 0.00 C ATOM 993 O LYS A 61 -7.547 -11.234 6.398 1.00 0.00 O ATOM 994 CB LYS A 61 -5.245 -12.499 5.117 1.00 0.00 C ATOM 995 CG LYS A 61 -4.820 -13.935 4.865 1.00 0.00 C ATOM 996 CD LYS A 61 -3.853 -14.425 5.929 1.00 0.00 C ATOM 997 CE LYS A 61 -4.578 -14.808 7.209 1.00 0.00 C ATOM 998 NZ LYS A 61 -5.325 -16.088 7.062 1.00 0.00 N ATOM 0 H LYS A 61 -5.805 -10.703 3.028 1.00 0.00 H new ATOM 0 HA LYS A 61 -7.180 -12.984 4.313 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -4.446 -11.831 4.796 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.373 -12.350 6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.700 -14.578 4.848 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.351 -14.010 3.884 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.301 -15.286 5.551 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.121 -13.646 6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.857 -14.900 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.271 -14.013 7.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -5.620 -16.428 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.166 -15.933 6.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -4.712 -16.798 6.614 1.00 0.00 H new ATOM 1012 N VAL A 62 -7.615 -9.938 4.560 1.00 0.00 N ATOM 1013 CA VAL A 62 -8.329 -8.852 5.219 1.00 0.00 C ATOM 1014 C VAL A 62 -9.300 -8.171 4.261 1.00 0.00 C ATOM 1015 O VAL A 62 -8.957 -7.881 3.116 1.00 0.00 O ATOM 1016 CB VAL A 62 -7.356 -7.797 5.779 1.00 0.00 C ATOM 1017 CG1 VAL A 62 -8.112 -6.561 6.239 1.00 0.00 C ATOM 1018 CG2 VAL A 62 -6.533 -8.384 6.916 1.00 0.00 C ATOM 0 H VAL A 62 -7.401 -9.767 3.577 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.886 -9.296 6.044 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.674 -7.498 4.983 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -7.407 -5.828 6.631 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.652 -6.130 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -8.820 -6.837 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -5.851 -7.626 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.198 -8.712 7.715 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.960 -9.235 6.549 1.00 0.00 H new ATOM 1028 N GLU A 63 -10.516 -7.918 4.738 1.00 0.00 N ATOM 1029 CA GLU A 63 -11.537 -7.272 3.923 1.00 0.00 C ATOM 1030 C GLU A 63 -12.190 -6.120 4.682 1.00 0.00 C ATOM 1031 O GLU A 63 -12.453 -6.221 5.880 1.00 0.00 O ATOM 1032 CB GLU A 63 -12.601 -8.287 3.499 1.00 0.00 C ATOM 1033 CG GLU A 63 -13.749 -8.413 4.486 1.00 0.00 C ATOM 1034 CD GLU A 63 -14.378 -9.792 4.476 1.00 0.00 C ATOM 1035 OE1 GLU A 63 -14.909 -10.196 3.420 1.00 0.00 O ATOM 1036 OE2 GLU A 63 -14.339 -10.470 5.524 1.00 0.00 O ATOM 0 H GLU A 63 -10.817 -8.151 5.684 1.00 0.00 H new ATOM 0 HA GLU A 63 -11.054 -6.870 3.032 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.999 -7.998 2.526 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.131 -9.263 3.374 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.386 -8.190 5.490 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.510 -7.669 4.250 1.00 0.00 H new ATOM 1043 N LEU A 64 -12.450 -5.026 3.975 1.00 0.00 N ATOM 1044 CA LEU A 64 -13.072 -3.854 4.580 1.00 0.00 C ATOM 1045 C LEU A 64 -14.399 -3.531 3.902 1.00 0.00 C ATOM 1046 O LEU A 64 -14.489 -3.496 2.673 1.00 0.00 O ATOM 1047 CB LEU A 64 -12.133 -2.650 4.489 1.00 0.00 C ATOM 1048 CG LEU A 64 -12.264 -1.610 5.603 1.00 0.00 C ATOM 1049 CD1 LEU A 64 -11.837 -2.201 6.938 1.00 0.00 C ATOM 1050 CD2 LEU A 64 -11.441 -0.373 5.279 1.00 0.00 C ATOM 0 H LEU A 64 -12.240 -4.926 2.982 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.266 -4.077 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.106 -3.015 4.480 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.303 -2.153 3.534 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.311 -1.316 5.676 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -11.937 -1.447 7.718 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.470 -3.056 7.176 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.798 -2.524 6.877 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.547 0.355 6.083 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.392 -0.651 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.793 0.064 4.345 1.00 0.00 H new ATOM 1062 N HIS A 65 -15.428 -3.293 4.709 1.00 0.00 N ATOM 1063 CA HIS A 65 -16.750 -2.969 4.186 1.00 0.00 C ATOM 1064 C HIS A 65 -17.296 -4.116 3.341 1.00 0.00 C ATOM 1065 O HIS A 65 -17.845 -3.898 2.262 1.00 0.00 O ATOM 1066 CB HIS A 65 -16.694 -1.688 3.354 1.00 0.00 C ATOM 1067 CG HIS A 65 -16.828 -0.438 4.166 1.00 0.00 C ATOM 1068 ND1 HIS A 65 -17.991 0.303 4.222 1.00 0.00 N ATOM 1069 CD2 HIS A 65 -15.939 0.201 4.962 1.00 0.00 C ATOM 1070 CE1 HIS A 65 -17.810 1.343 5.015 1.00 0.00 C ATOM 1071 NE2 HIS A 65 -16.574 1.305 5.477 1.00 0.00 N ATOM 0 H HIS A 65 -15.372 -3.318 5.727 1.00 0.00 H new ATOM 0 HA HIS A 65 -17.420 -2.814 5.032 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -15.749 -1.659 2.811 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -17.489 -1.714 2.609 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -14.920 -0.101 5.156 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -18.548 2.097 5.246 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -16.158 1.985 6.113 1.00 0.00 H new ATOM 1079 N GLY A 66 -17.141 -5.338 3.840 1.00 0.00 N ATOM 1080 CA GLY A 66 -17.623 -6.501 3.117 1.00 0.00 C ATOM 1081 C GLY A 66 -16.909 -6.698 1.794 1.00 0.00 C ATOM 1082 O GLY A 66 -17.331 -7.505 0.966 1.00 0.00 O ATOM 0 H GLY A 66 -16.690 -5.544 4.732 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.490 -7.390 3.734 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.693 -6.395 2.937 1.00 0.00 H new ATOM 1086 N LYS A 67 -15.825 -5.957 1.593 1.00 0.00 N ATOM 1087 CA LYS A 67 -15.050 -6.053 0.361 1.00 0.00 C ATOM 1088 C LYS A 67 -13.598 -6.413 0.658 1.00 0.00 C ATOM 1089 O LYS A 67 -12.986 -5.857 1.572 1.00 0.00 O ATOM 1090 CB LYS A 67 -15.112 -4.732 -0.408 1.00 0.00 C ATOM 1091 CG LYS A 67 -16.462 -4.467 -1.053 1.00 0.00 C ATOM 1092 CD LYS A 67 -16.487 -3.122 -1.760 1.00 0.00 C ATOM 1093 CE LYS A 67 -15.753 -3.179 -3.092 1.00 0.00 C ATOM 1094 NZ LYS A 67 -16.586 -3.803 -4.157 1.00 0.00 N ATOM 0 H LYS A 67 -15.463 -5.283 2.267 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.484 -6.844 -0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -14.877 -3.914 0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -14.344 -4.735 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -16.687 -5.259 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.242 -4.494 -0.292 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -17.520 -2.816 -1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -16.028 -2.366 -1.123 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -15.471 -2.171 -3.395 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.830 -3.746 -2.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.051 -3.823 -5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.834 -4.774 -3.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.456 -3.248 -4.288 1.00 0.00 H new ATOM 1108 N ILE A 68 -13.053 -7.343 -0.118 1.00 0.00 N ATOM 1109 CA ILE A 68 -11.672 -7.774 0.062 1.00 0.00 C ATOM 1110 C ILE A 68 -10.696 -6.691 -0.387 1.00 0.00 C ATOM 1111 O ILE A 68 -10.795 -6.173 -1.498 1.00 0.00 O ATOM 1112 CB ILE A 68 -11.380 -9.068 -0.721 1.00 0.00 C ATOM 1113 CG1 ILE A 68 -12.504 -10.084 -0.507 1.00 0.00 C ATOM 1114 CG2 ILE A 68 -10.040 -9.652 -0.297 1.00 0.00 C ATOM 1115 CD1 ILE A 68 -12.659 -10.519 0.934 1.00 0.00 C ATOM 0 H ILE A 68 -13.546 -7.813 -0.877 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.536 -7.964 1.127 1.00 0.00 H new ATOM 0 HB ILE A 68 -11.330 -8.830 -1.784 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -13.444 -9.652 -0.851 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.312 -10.962 -1.124 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -9.847 -10.566 -0.859 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.249 -8.930 -0.497 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -10.063 -9.879 0.769 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.474 -11.239 1.011 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.733 -10.981 1.276 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -12.882 -9.651 1.554 1.00 0.00 H new ATOM 1127 N MET A 69 -9.753 -6.354 0.488 1.00 0.00 N ATOM 1128 CA MET A 69 -8.756 -5.335 0.181 1.00 0.00 C ATOM 1129 C MET A 69 -7.527 -5.955 -0.475 1.00 0.00 C ATOM 1130 O MET A 69 -7.044 -7.000 -0.043 1.00 0.00 O ATOM 1131 CB MET A 69 -8.348 -4.591 1.454 1.00 0.00 C ATOM 1132 CG MET A 69 -7.169 -5.224 2.175 1.00 0.00 C ATOM 1133 SD MET A 69 -7.086 -4.754 3.914 1.00 0.00 S ATOM 1134 CE MET A 69 -7.112 -2.968 3.785 1.00 0.00 C ATOM 0 H MET A 69 -9.659 -6.771 1.414 1.00 0.00 H new ATOM 0 HA MET A 69 -9.201 -4.627 -0.519 1.00 0.00 H new ATOM 0 HB2 MET A 69 -8.097 -3.561 1.199 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.201 -4.553 2.132 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.241 -6.309 2.099 1.00 0.00 H new ATOM 0 HG3 MET A 69 -6.244 -4.930 1.679 1.00 0.00 H new ATOM 0 HE1 MET A 69 -6.344 -2.545 4.432 1.00 0.00 H new ATOM 0 HE2 MET A 69 -6.919 -2.675 2.753 1.00 0.00 H new ATOM 0 HE3 MET A 69 -8.090 -2.595 4.091 1.00 0.00 H new ATOM 1144 N GLU A 70 -7.028 -5.305 -1.521 1.00 0.00 N ATOM 1145 CA GLU A 70 -5.856 -5.795 -2.238 1.00 0.00 C ATOM 1146 C GLU A 70 -4.672 -4.851 -2.055 1.00 0.00 C ATOM 1147 O GLU A 70 -4.783 -3.646 -2.282 1.00 0.00 O ATOM 1148 CB GLU A 70 -6.171 -5.954 -3.727 1.00 0.00 C ATOM 1149 CG GLU A 70 -6.837 -7.275 -4.071 1.00 0.00 C ATOM 1150 CD GLU A 70 -7.722 -7.180 -5.299 1.00 0.00 C ATOM 1151 OE1 GLU A 70 -8.808 -6.570 -5.202 1.00 0.00 O ATOM 1152 OE2 GLU A 70 -7.328 -7.715 -6.356 1.00 0.00 O ATOM 0 H GLU A 70 -7.417 -4.438 -1.891 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.590 -6.768 -1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.820 -5.137 -4.042 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -5.246 -5.864 -4.297 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -6.070 -8.031 -4.238 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.434 -7.608 -3.222 1.00 0.00 H new ATOM 1159 N VAL A 71 -3.538 -5.407 -1.639 1.00 0.00 N ATOM 1160 CA VAL A 71 -2.333 -4.616 -1.425 1.00 0.00 C ATOM 1161 C VAL A 71 -1.183 -5.121 -2.290 1.00 0.00 C ATOM 1162 O VAL A 71 -0.938 -6.324 -2.374 1.00 0.00 O ATOM 1163 CB VAL A 71 -1.899 -4.642 0.053 1.00 0.00 C ATOM 1164 CG1 VAL A 71 -0.887 -3.541 0.331 1.00 0.00 C ATOM 1165 CG2 VAL A 71 -3.109 -4.508 0.965 1.00 0.00 C ATOM 0 H VAL A 71 -3.429 -6.402 -1.444 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.573 -3.591 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 71 -1.423 -5.601 0.258 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.592 -3.575 1.380 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.009 -3.687 -0.298 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.334 -2.572 0.111 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.784 -4.528 2.005 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.616 -3.565 0.761 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.795 -5.335 0.783 1.00 0.00 H new ATOM 1175 N ASP A 72 -0.480 -4.193 -2.931 1.00 0.00 N ATOM 1176 CA ASP A 72 0.646 -4.544 -3.788 1.00 0.00 C ATOM 1177 C ASP A 72 1.676 -3.420 -3.821 1.00 0.00 C ATOM 1178 O ASP A 72 1.324 -2.240 -3.770 1.00 0.00 O ATOM 1179 CB ASP A 72 0.160 -4.848 -5.205 1.00 0.00 C ATOM 1180 CG ASP A 72 1.109 -5.757 -5.961 1.00 0.00 C ATOM 1181 OD1 ASP A 72 1.021 -6.991 -5.778 1.00 0.00 O ATOM 1182 OD2 ASP A 72 1.938 -5.237 -6.736 1.00 0.00 O ATOM 0 H ASP A 72 -0.670 -3.193 -2.873 1.00 0.00 H new ATOM 0 HA ASP A 72 1.120 -5.435 -3.375 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -0.824 -5.315 -5.156 1.00 0.00 H new ATOM 0 HB3 ASP A 72 0.042 -3.914 -5.754 1.00 0.00 H new ATOM 1187 N TYR A 73 2.948 -3.791 -3.904 1.00 0.00 N ATOM 1188 CA TYR A 73 4.029 -2.813 -3.939 1.00 0.00 C ATOM 1189 C TYR A 73 3.703 -1.675 -4.900 1.00 0.00 C ATOM 1190 O TYR A 73 3.041 -1.877 -5.918 1.00 0.00 O ATOM 1191 CB TYR A 73 5.340 -3.486 -4.352 1.00 0.00 C ATOM 1192 CG TYR A 73 5.906 -4.408 -3.297 1.00 0.00 C ATOM 1193 CD1 TYR A 73 6.024 -3.995 -1.976 1.00 0.00 C ATOM 1194 CD2 TYR A 73 6.326 -5.693 -3.622 1.00 0.00 C ATOM 1195 CE1 TYR A 73 6.542 -4.834 -1.008 1.00 0.00 C ATOM 1196 CE2 TYR A 73 6.843 -6.539 -2.660 1.00 0.00 C ATOM 1197 CZ TYR A 73 6.950 -6.106 -1.356 1.00 0.00 C ATOM 1198 OH TYR A 73 7.466 -6.944 -0.395 1.00 0.00 O ATOM 0 H TYR A 73 3.256 -4.762 -3.948 1.00 0.00 H new ATOM 0 HA TYR A 73 4.142 -2.397 -2.938 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.174 -4.054 -5.268 1.00 0.00 H new ATOM 0 HB3 TYR A 73 6.077 -2.716 -4.583 1.00 0.00 H new ATOM 0 HD1 TYR A 73 5.705 -3.001 -1.701 1.00 0.00 H new ATOM 0 HD2 TYR A 73 6.247 -6.035 -4.643 1.00 0.00 H new ATOM 0 HE1 TYR A 73 6.627 -4.497 0.014 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.162 -7.535 -2.929 1.00 0.00 H new ATOM 0 HH TYR A 73 7.913 -6.413 0.297 1.00 0.00 H new ATOM 1208 N SER A 74 4.175 -0.476 -4.570 1.00 0.00 N ATOM 1209 CA SER A 74 3.932 0.697 -5.401 1.00 0.00 C ATOM 1210 C SER A 74 5.109 0.952 -6.337 1.00 0.00 C ATOM 1211 O SER A 74 5.693 2.036 -6.337 1.00 0.00 O ATOM 1212 CB SER A 74 3.686 1.927 -4.525 1.00 0.00 C ATOM 1213 OG SER A 74 2.737 1.648 -3.510 1.00 0.00 O ATOM 0 H SER A 74 4.728 -0.292 -3.733 1.00 0.00 H new ATOM 0 HA SER A 74 3.045 0.507 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.624 2.248 -4.072 1.00 0.00 H new ATOM 0 HB3 SER A 74 3.331 2.752 -5.142 1.00 0.00 H new ATOM 0 HG SER A 74 2.598 2.449 -2.963 1.00 0.00 H new