USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 625 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 60 ASN : amide:sc= -0.357 K(o=-0.55,f=-1.4) USER MOD Set 1.2: A 62 GLN : amide:sc= -0.193 X(o=-0.55,f=-0.34) USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0.544 USER MOD Set 2.2: A 25 ASN : amide:sc= 0.592 K(o=1.1,f=0.0075) USER MOD Set 3.1: A 7 THR OG1 : rot 122:sc= 1.02 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.832 USER MOD Single : A 1 MET CE :methyl 178:sc= -0.402 (180deg=-0.407) USER MOD Single : A 1 MET N :NH3+ 136:sc= 0.0143 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0.738 K(o=0.74,f=-0.35) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0196) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0.889 (180deg=0.828) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -177:sc= 0.937 (180deg=0.928) USER MOD Single : A 31 GLN : amide:sc= 0.756 K(o=0.76,f=-4.1!) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00124) USER MOD Single : A 40 GLN : amide:sc= -0.189 K(o=-0.19,f=-2.1) USER MOD Single : A 41 ASN : amide:sc= 0.257 K(o=0.26,f=-0.53) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.136 K(o=-0.14,f=-1.2!) USER MOD Single : A 55 THR OG1 : rot -36:sc= 1.32 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -167:sc= 1.2 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -114:sc= 1.32 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 14.681 -5.303 -0.853 1.00 0.00 N ATOM 2 CA MET A 1 13.846 -4.555 0.099 1.00 0.00 C ATOM 3 C MET A 1 12.466 -5.165 0.080 1.00 0.00 C ATOM 4 O MET A 1 11.903 -5.295 -1.000 1.00 0.00 O ATOM 5 CB MET A 1 13.857 -3.048 -0.182 1.00 0.00 C ATOM 6 CG MET A 1 12.720 -2.294 0.524 1.00 0.00 C ATOM 7 SD MET A 1 12.903 -0.492 0.514 1.00 0.00 S ATOM 8 CE MET A 1 11.290 -0.021 1.185 1.00 0.00 C ATOM 0 H1 MET A 1 15.244 -4.637 -1.419 1.00 0.00 H new ATOM 0 H2 MET A 1 15.318 -5.939 -0.331 1.00 0.00 H new ATOM 0 H3 MET A 1 14.072 -5.863 -1.483 1.00 0.00 H new ATOM 0 HA MET A 1 14.252 -4.639 1.107 1.00 0.00 H new ATOM 0 HB2 MET A 1 14.813 -2.632 0.136 1.00 0.00 H new ATOM 0 HB3 MET A 1 13.781 -2.885 -1.257 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.775 -2.554 0.046 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.660 -2.636 1.557 1.00 0.00 H new ATOM 0 HE1 MET A 1 11.239 1.063 1.283 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.503 -0.362 0.513 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.155 -0.480 2.164 1.00 0.00 H new ATOM 18 N GLN A 2 11.992 -5.634 1.236 1.00 0.00 N ATOM 19 CA GLN A 2 10.679 -6.239 1.395 1.00 0.00 C ATOM 20 C GLN A 2 9.850 -5.423 2.398 1.00 0.00 C ATOM 21 O GLN A 2 10.418 -4.815 3.308 1.00 0.00 O ATOM 22 CB GLN A 2 10.815 -7.707 1.851 1.00 0.00 C ATOM 23 CG GLN A 2 11.604 -7.883 3.163 1.00 0.00 C ATOM 24 CD GLN A 2 11.541 -9.290 3.752 1.00 0.00 C ATOM 25 OE1 GLN A 2 11.071 -10.250 3.136 1.00 0.00 O ATOM 26 NE2 GLN A 2 12.047 -9.456 4.963 1.00 0.00 N ATOM 0 H GLN A 2 12.527 -5.600 2.104 1.00 0.00 H new ATOM 0 HA GLN A 2 10.163 -6.234 0.435 1.00 0.00 H new ATOM 0 HB2 GLN A 2 9.819 -8.132 1.978 1.00 0.00 H new ATOM 0 HB3 GLN A 2 11.307 -8.278 1.063 1.00 0.00 H new ATOM 0 HG2 GLN A 2 12.647 -7.624 2.983 1.00 0.00 H new ATOM 0 HG3 GLN A 2 11.223 -7.176 3.900 1.00 0.00 H new ATOM 0 HE21 GLN A 2 12.434 -8.659 5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 2 12.050 -10.381 5.392 1.00 0.00 H new ATOM 35 N ILE A 3 8.536 -5.334 2.190 1.00 0.00 N ATOM 36 CA ILE A 3 7.585 -4.649 3.068 1.00 0.00 C ATOM 37 C ILE A 3 6.372 -5.566 3.263 1.00 0.00 C ATOM 38 O ILE A 3 6.186 -6.529 2.510 1.00 0.00 O ATOM 39 CB ILE A 3 7.203 -3.230 2.580 1.00 0.00 C ATOM 40 CG1 ILE A 3 6.420 -3.267 1.247 1.00 0.00 C ATOM 41 CG2 ILE A 3 8.442 -2.312 2.552 1.00 0.00 C ATOM 42 CD1 ILE A 3 5.970 -1.891 0.749 1.00 0.00 C ATOM 0 H ILE A 3 8.087 -5.752 1.375 1.00 0.00 H new ATOM 0 HA ILE A 3 8.060 -4.466 4.032 1.00 0.00 H new ATOM 0 HB ILE A 3 6.511 -2.791 3.299 1.00 0.00 H new ATOM 0 HG12 ILE A 3 7.044 -3.732 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 3 5.543 -3.902 1.371 1.00 0.00 H new ATOM 0 HG21 ILE A 3 8.152 -1.320 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 3 8.863 -2.238 3.555 1.00 0.00 H new ATOM 0 HG23 ILE A 3 9.188 -2.728 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 3 5.428 -2.003 -0.190 1.00 0.00 H new ATOM 0 HD12 ILE A 3 5.318 -1.431 1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 3 6.843 -1.258 0.591 1.00 0.00 H new ATOM 54 N PHE A 4 5.489 -5.217 4.195 1.00 0.00 N ATOM 55 CA PHE A 4 4.272 -5.932 4.522 1.00 0.00 C ATOM 56 C PHE A 4 3.063 -5.006 4.413 1.00 0.00 C ATOM 57 O PHE A 4 3.163 -3.797 4.633 1.00 0.00 O ATOM 58 CB PHE A 4 4.308 -6.455 5.967 1.00 0.00 C ATOM 59 CG PHE A 4 5.477 -7.312 6.398 1.00 0.00 C ATOM 60 CD1 PHE A 4 5.533 -8.671 6.033 1.00 0.00 C ATOM 61 CD2 PHE A 4 6.443 -6.782 7.277 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.538 -9.496 6.565 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.452 -7.606 7.801 1.00 0.00 C ATOM 64 CZ PHE A 4 7.496 -8.965 7.447 1.00 0.00 C ATOM 0 H PHE A 4 5.616 -4.383 4.769 1.00 0.00 H new ATOM 0 HA PHE A 4 4.194 -6.762 3.820 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.267 -5.593 6.632 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.397 -7.030 6.134 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.806 -9.078 5.346 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.407 -5.737 7.549 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.575 -10.541 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 4 8.191 -7.197 8.474 1.00 0.00 H new ATOM 0 HZ PHE A 4 8.267 -9.603 7.853 1.00 0.00 H new ATOM 74 N VAL A 5 1.903 -5.558 4.074 1.00 0.00 N ATOM 75 CA VAL A 5 0.651 -4.818 3.977 1.00 0.00 C ATOM 76 C VAL A 5 -0.439 -5.712 4.563 1.00 0.00 C ATOM 77 O VAL A 5 -0.484 -6.895 4.229 1.00 0.00 O ATOM 78 CB VAL A 5 0.331 -4.379 2.529 1.00 0.00 C ATOM 79 CG1 VAL A 5 -0.875 -3.429 2.529 1.00 0.00 C ATOM 80 CG2 VAL A 5 1.478 -3.636 1.833 1.00 0.00 C ATOM 0 H VAL A 5 1.805 -6.549 3.855 1.00 0.00 H new ATOM 0 HA VAL A 5 0.722 -3.885 4.537 1.00 0.00 H new ATOM 0 HB VAL A 5 0.140 -5.304 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -1.097 -3.122 1.507 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -1.741 -3.940 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.645 -2.549 3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 5 1.174 -3.363 0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 5 1.722 -2.734 2.395 1.00 0.00 H new ATOM 0 HG23 VAL A 5 2.355 -4.282 1.786 1.00 0.00 H new ATOM 90 N LYS A 6 -1.283 -5.194 5.456 1.00 0.00 N ATOM 91 CA LYS A 6 -2.385 -5.970 6.023 1.00 0.00 C ATOM 92 C LYS A 6 -3.618 -5.585 5.203 1.00 0.00 C ATOM 93 O LYS A 6 -3.946 -4.396 5.141 1.00 0.00 O ATOM 94 CB LYS A 6 -2.550 -5.716 7.532 1.00 0.00 C ATOM 95 CG LYS A 6 -3.407 -6.816 8.189 1.00 0.00 C ATOM 96 CD LYS A 6 -2.638 -8.133 8.415 1.00 0.00 C ATOM 97 CE LYS A 6 -1.854 -8.213 9.733 1.00 0.00 C ATOM 98 NZ LYS A 6 -2.745 -8.316 10.909 1.00 0.00 N ATOM 0 H LYS A 6 -1.223 -4.237 5.803 1.00 0.00 H new ATOM 0 HA LYS A 6 -2.204 -7.043 5.959 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -1.570 -5.682 8.008 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -3.016 -4.744 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -3.781 -6.453 9.146 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -4.276 -7.014 7.561 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.347 -8.960 8.382 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -1.943 -8.276 7.588 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -1.189 -9.077 9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -1.224 -7.329 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -2.175 -8.486 11.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -3.278 -7.430 11.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.409 -9.105 10.773 1.00 0.00 H new ATOM 112 N THR A 7 -4.228 -6.531 4.488 1.00 0.00 N ATOM 113 CA THR A 7 -5.406 -6.261 3.667 1.00 0.00 C ATOM 114 C THR A 7 -6.645 -6.075 4.532 1.00 0.00 C ATOM 115 O THR A 7 -6.677 -6.469 5.701 1.00 0.00 O ATOM 116 CB THR A 7 -5.650 -7.409 2.672 1.00 0.00 C ATOM 117 OG1 THR A 7 -5.727 -8.629 3.370 1.00 0.00 O ATOM 118 CG2 THR A 7 -4.555 -7.506 1.614 1.00 0.00 C ATOM 0 H THR A 7 -3.920 -7.503 4.462 1.00 0.00 H new ATOM 0 HA THR A 7 -5.217 -5.340 3.116 1.00 0.00 H new ATOM 0 HB THR A 7 -6.588 -7.199 2.159 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.591 -9.056 3.189 1.00 0.00 H new ATOM 0 HG21 THR A 7 -4.775 -8.332 0.937 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.512 -6.575 1.049 1.00 0.00 H new ATOM 0 HG23 THR A 7 -3.595 -7.681 2.099 1.00 0.00 H new ATOM 126 N LEU A 8 -7.709 -5.539 3.924 1.00 0.00 N ATOM 127 CA LEU A 8 -8.981 -5.331 4.606 1.00 0.00 C ATOM 128 C LEU A 8 -9.654 -6.668 4.953 1.00 0.00 C ATOM 129 O LEU A 8 -10.633 -6.669 5.697 1.00 0.00 O ATOM 130 CB LEU A 8 -9.912 -4.417 3.781 1.00 0.00 C ATOM 131 CG LEU A 8 -10.894 -5.116 2.811 1.00 0.00 C ATOM 132 CD1 LEU A 8 -11.883 -4.074 2.295 1.00 0.00 C ATOM 133 CD2 LEU A 8 -10.228 -5.797 1.616 1.00 0.00 C ATOM 0 H LEU A 8 -7.708 -5.240 2.949 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.776 -4.821 5.547 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.494 -3.810 4.474 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -9.291 -3.733 3.202 1.00 0.00 H new ATOM 0 HG LEU A 8 -11.381 -5.909 3.379 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -12.585 -4.547 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -12.430 -3.644 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.341 -3.285 1.773 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -10.990 -6.261 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.681 -5.056 1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -9.537 -6.561 1.971 1.00 0.00 H new ATOM 145 N THR A 9 -9.147 -7.788 4.427 1.00 0.00 N ATOM 146 CA THR A 9 -9.654 -9.133 4.651 1.00 0.00 C ATOM 147 C THR A 9 -8.942 -9.789 5.844 1.00 0.00 C ATOM 148 O THR A 9 -9.356 -10.861 6.289 1.00 0.00 O ATOM 149 CB THR A 9 -9.493 -9.962 3.361 1.00 0.00 C ATOM 150 OG1 THR A 9 -8.144 -10.037 2.929 1.00 0.00 O ATOM 151 CG2 THR A 9 -10.308 -9.408 2.194 1.00 0.00 C ATOM 0 H THR A 9 -8.337 -7.774 3.807 1.00 0.00 H new ATOM 0 HA THR A 9 -10.714 -9.087 4.899 1.00 0.00 H new ATOM 0 HB THR A 9 -9.859 -10.952 3.632 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.092 -10.573 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 9 -10.155 -10.033 1.314 1.00 0.00 H new ATOM 0 HG22 THR A 9 -11.366 -9.406 2.457 1.00 0.00 H new ATOM 0 HG23 THR A 9 -9.986 -8.390 1.977 1.00 0.00 H new ATOM 159 N GLY A 10 -7.840 -9.197 6.325 1.00 0.00 N ATOM 160 CA GLY A 10 -7.045 -9.652 7.451 1.00 0.00 C ATOM 161 C GLY A 10 -5.816 -10.443 7.027 1.00 0.00 C ATOM 162 O GLY A 10 -5.107 -10.960 7.893 1.00 0.00 O ATOM 0 H GLY A 10 -7.468 -8.343 5.910 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.731 -8.790 8.039 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.664 -10.272 8.099 1.00 0.00 H new ATOM 166 N LYS A 11 -5.521 -10.540 5.728 1.00 0.00 N ATOM 167 CA LYS A 11 -4.347 -11.281 5.292 1.00 0.00 C ATOM 168 C LYS A 11 -3.132 -10.373 5.463 1.00 0.00 C ATOM 169 O LYS A 11 -3.252 -9.147 5.483 1.00 0.00 O ATOM 170 CB LYS A 11 -4.525 -11.666 3.800 1.00 0.00 C ATOM 171 CG LYS A 11 -4.790 -13.155 3.525 1.00 0.00 C ATOM 172 CD LYS A 11 -3.531 -14.021 3.351 1.00 0.00 C ATOM 173 CE LYS A 11 -2.568 -13.580 2.235 1.00 0.00 C ATOM 174 NZ LYS A 11 -3.224 -13.516 0.914 1.00 0.00 N ATOM 0 H LYS A 11 -6.070 -10.122 4.977 1.00 0.00 H new ATOM 0 HA LYS A 11 -4.214 -12.191 5.877 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.352 -11.086 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.628 -11.369 3.257 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.380 -13.561 4.347 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -5.397 -13.240 2.624 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -2.985 -14.030 4.294 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -3.842 -15.047 3.153 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.157 -12.601 2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.730 -14.275 2.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.581 -13.071 0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -3.458 -14.478 0.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -4.096 -12.953 0.986 1.00 0.00 H new ATOM 188 N THR A 12 -1.952 -10.972 5.431 1.00 0.00 N ATOM 189 CA THR A 12 -0.673 -10.297 5.525 1.00 0.00 C ATOM 190 C THR A 12 -0.066 -10.544 4.153 1.00 0.00 C ATOM 191 O THR A 12 -0.125 -11.661 3.625 1.00 0.00 O ATOM 192 CB THR A 12 0.196 -10.839 6.675 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.497 -10.779 7.905 1.00 0.00 O ATOM 194 CG2 THR A 12 1.480 -10.010 6.817 1.00 0.00 C ATOM 0 H THR A 12 -1.859 -11.983 5.335 1.00 0.00 H new ATOM 0 HA THR A 12 -0.761 -9.237 5.763 1.00 0.00 H new ATOM 0 HB THR A 12 0.438 -11.874 6.435 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.074 -11.130 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.081 -10.408 7.634 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.050 -10.060 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.222 -8.972 7.028 1.00 0.00 H new ATOM 202 N ILE A 13 0.471 -9.494 3.559 1.00 0.00 N ATOM 203 CA ILE A 13 1.091 -9.485 2.252 1.00 0.00 C ATOM 204 C ILE A 13 2.573 -9.177 2.440 1.00 0.00 C ATOM 205 O ILE A 13 2.956 -8.599 3.456 1.00 0.00 O ATOM 206 CB ILE A 13 0.368 -8.429 1.387 1.00 0.00 C ATOM 207 CG1 ILE A 13 -1.170 -8.598 1.357 1.00 0.00 C ATOM 208 CG2 ILE A 13 0.907 -8.386 -0.046 1.00 0.00 C ATOM 209 CD1 ILE A 13 -1.678 -9.965 0.890 1.00 0.00 C ATOM 0 H ILE A 13 0.486 -8.575 4.002 1.00 0.00 H new ATOM 0 HA ILE A 13 1.009 -10.445 1.742 1.00 0.00 H new ATOM 0 HB ILE A 13 0.584 -7.480 1.877 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.558 -8.409 2.358 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.589 -7.833 0.704 1.00 0.00 H new ATOM 0 HG21 ILE A 13 0.368 -7.629 -0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 13 1.968 -8.139 -0.028 1.00 0.00 H new ATOM 0 HG23 ILE A 13 0.769 -9.360 -0.516 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -2.768 -9.974 0.908 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.330 -10.155 -0.125 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -1.298 -10.741 1.555 1.00 0.00 H new ATOM 221 N THR A 14 3.373 -9.565 1.455 1.00 0.00 N ATOM 222 CA THR A 14 4.809 -9.398 1.330 1.00 0.00 C ATOM 223 C THR A 14 5.019 -8.836 -0.082 1.00 0.00 C ATOM 224 O THR A 14 4.334 -9.255 -1.024 1.00 0.00 O ATOM 225 CB THR A 14 5.490 -10.759 1.542 1.00 0.00 C ATOM 226 OG1 THR A 14 5.543 -11.033 2.927 1.00 0.00 O ATOM 227 CG2 THR A 14 6.912 -10.837 0.989 1.00 0.00 C ATOM 0 H THR A 14 2.990 -10.053 0.645 1.00 0.00 H new ATOM 0 HA THR A 14 5.244 -8.725 2.069 1.00 0.00 H new ATOM 0 HB THR A 14 4.892 -11.488 0.995 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.975 -11.901 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 14 7.322 -11.829 1.179 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.896 -10.650 -0.085 1.00 0.00 H new ATOM 0 HG23 THR A 14 7.534 -10.087 1.478 1.00 0.00 H new ATOM 235 N LEU A 15 5.800 -7.758 -0.205 1.00 0.00 N ATOM 236 CA LEU A 15 6.114 -7.118 -1.479 1.00 0.00 C ATOM 237 C LEU A 15 7.564 -6.687 -1.508 1.00 0.00 C ATOM 238 O LEU A 15 8.074 -6.221 -0.490 1.00 0.00 O ATOM 239 CB LEU A 15 5.290 -5.841 -1.714 1.00 0.00 C ATOM 240 CG LEU A 15 3.904 -6.039 -2.327 1.00 0.00 C ATOM 241 CD1 LEU A 15 3.326 -4.650 -2.605 1.00 0.00 C ATOM 242 CD2 LEU A 15 3.977 -6.804 -3.647 1.00 0.00 C ATOM 0 H LEU A 15 6.238 -7.300 0.595 1.00 0.00 H new ATOM 0 HA LEU A 15 5.887 -7.859 -2.246 1.00 0.00 H new ATOM 0 HB2 LEU A 15 5.173 -5.328 -0.760 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.861 -5.179 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 15 3.286 -6.613 -1.637 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.334 -4.750 -3.045 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.255 -4.092 -1.671 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.977 -4.117 -3.297 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.973 -6.926 -4.053 1.00 0.00 H new ATOM 0 HD22 LEU A 15 4.590 -6.248 -4.356 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.420 -7.785 -3.475 1.00 0.00 H new ATOM 254 N GLU A 16 8.180 -6.783 -2.676 1.00 0.00 N ATOM 255 CA GLU A 16 9.542 -6.403 -2.985 1.00 0.00 C ATOM 256 C GLU A 16 9.436 -5.102 -3.780 1.00 0.00 C ATOM 257 O GLU A 16 8.871 -5.067 -4.879 1.00 0.00 O ATOM 258 CB GLU A 16 10.259 -7.541 -3.706 1.00 0.00 C ATOM 259 CG GLU A 16 11.732 -7.240 -4.014 1.00 0.00 C ATOM 260 CD GLU A 16 12.518 -8.548 -4.109 1.00 0.00 C ATOM 261 OE1 GLU A 16 12.315 -9.314 -5.080 1.00 0.00 O ATOM 262 OE2 GLU A 16 13.240 -8.889 -3.144 1.00 0.00 O ATOM 0 H GLU A 16 7.699 -7.158 -3.494 1.00 0.00 H new ATOM 0 HA GLU A 16 10.155 -6.225 -2.101 1.00 0.00 H new ATOM 0 HB2 GLU A 16 10.201 -8.441 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.738 -7.755 -4.639 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.812 -6.688 -4.950 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.154 -6.607 -3.234 1.00 0.00 H new ATOM 269 N VAL A 17 9.863 -4.001 -3.170 1.00 0.00 N ATOM 270 CA VAL A 17 9.826 -2.668 -3.764 1.00 0.00 C ATOM 271 C VAL A 17 11.187 -2.014 -3.496 1.00 0.00 C ATOM 272 O VAL A 17 12.134 -2.702 -3.104 1.00 0.00 O ATOM 273 CB VAL A 17 8.565 -1.876 -3.303 1.00 0.00 C ATOM 274 CG1 VAL A 17 7.326 -2.773 -3.102 1.00 0.00 C ATOM 275 CG2 VAL A 17 8.725 -1.030 -2.029 1.00 0.00 C ATOM 0 H VAL A 17 10.253 -4.010 -2.228 1.00 0.00 H new ATOM 0 HA VAL A 17 9.698 -2.694 -4.846 1.00 0.00 H new ATOM 0 HB VAL A 17 8.426 -1.194 -4.142 1.00 0.00 H new ATOM 0 HG11 VAL A 17 6.482 -2.162 -2.781 1.00 0.00 H new ATOM 0 HG12 VAL A 17 7.079 -3.268 -4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.540 -3.524 -2.341 1.00 0.00 H new ATOM 0 HG21 VAL A 17 7.785 -0.526 -1.807 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.996 -1.677 -1.194 1.00 0.00 H new ATOM 0 HG23 VAL A 17 9.508 -0.287 -2.181 1.00 0.00 H new ATOM 285 N GLU A 18 11.332 -0.720 -3.745 1.00 0.00 N ATOM 286 CA GLU A 18 12.559 0.021 -3.519 1.00 0.00 C ATOM 287 C GLU A 18 12.168 1.402 -2.990 1.00 0.00 C ATOM 288 O GLU A 18 11.026 1.833 -3.195 1.00 0.00 O ATOM 289 CB GLU A 18 13.386 0.120 -4.821 1.00 0.00 C ATOM 290 CG GLU A 18 12.641 0.822 -5.967 1.00 0.00 C ATOM 291 CD GLU A 18 13.540 1.143 -7.156 1.00 0.00 C ATOM 292 OE1 GLU A 18 13.834 0.214 -7.945 1.00 0.00 O ATOM 293 OE2 GLU A 18 13.902 2.326 -7.333 1.00 0.00 O ATOM 0 H GLU A 18 10.578 -0.144 -4.120 1.00 0.00 H new ATOM 0 HA GLU A 18 13.191 -0.488 -2.791 1.00 0.00 H new ATOM 0 HB2 GLU A 18 14.311 0.659 -4.615 1.00 0.00 H new ATOM 0 HB3 GLU A 18 13.667 -0.883 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.820 0.188 -6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 18 12.199 1.746 -5.593 1.00 0.00 H new ATOM 300 N PRO A 19 13.085 2.136 -2.338 1.00 0.00 N ATOM 301 CA PRO A 19 12.806 3.471 -1.825 1.00 0.00 C ATOM 302 C PRO A 19 12.315 4.444 -2.899 1.00 0.00 C ATOM 303 O PRO A 19 11.705 5.452 -2.547 1.00 0.00 O ATOM 304 CB PRO A 19 14.131 3.979 -1.255 1.00 0.00 C ATOM 305 CG PRO A 19 14.826 2.689 -0.851 1.00 0.00 C ATOM 306 CD PRO A 19 14.452 1.763 -2.004 1.00 0.00 C ATOM 0 HA PRO A 19 12.007 3.415 -1.086 1.00 0.00 H new ATOM 0 HB2 PRO A 19 14.705 4.536 -1.995 1.00 0.00 H new ATOM 0 HB3 PRO A 19 13.980 4.643 -0.404 1.00 0.00 H new ATOM 0 HG2 PRO A 19 15.905 2.816 -0.761 1.00 0.00 H new ATOM 0 HG3 PRO A 19 14.468 2.314 0.108 1.00 0.00 H new ATOM 0 HD2 PRO A 19 15.120 1.898 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 19 14.518 0.715 -1.710 1.00 0.00 H new ATOM 314 N SER A 20 12.535 4.156 -4.182 1.00 0.00 N ATOM 315 CA SER A 20 12.134 5.036 -5.260 1.00 0.00 C ATOM 316 C SER A 20 11.070 4.417 -6.174 1.00 0.00 C ATOM 317 O SER A 20 10.958 4.819 -7.333 1.00 0.00 O ATOM 318 CB SER A 20 13.434 5.392 -5.995 1.00 0.00 C ATOM 319 OG SER A 20 14.372 5.975 -5.104 1.00 0.00 O ATOM 0 H SER A 20 12.998 3.303 -4.495 1.00 0.00 H new ATOM 0 HA SER A 20 11.641 5.931 -4.881 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.861 4.495 -6.444 1.00 0.00 H new ATOM 0 HB3 SER A 20 13.219 6.085 -6.809 1.00 0.00 H new ATOM 0 HG SER A 20 15.194 6.193 -5.591 1.00 0.00 H new ATOM 325 N ASP A 21 10.214 3.547 -5.630 1.00 0.00 N ATOM 326 CA ASP A 21 9.111 2.898 -6.348 1.00 0.00 C ATOM 327 C ASP A 21 7.887 3.775 -6.070 1.00 0.00 C ATOM 328 O ASP A 21 7.718 4.223 -4.925 1.00 0.00 O ATOM 329 CB ASP A 21 8.879 1.468 -5.822 1.00 0.00 C ATOM 330 CG ASP A 21 8.127 0.564 -6.810 1.00 0.00 C ATOM 331 OD1 ASP A 21 7.149 -0.095 -6.410 1.00 0.00 O ATOM 332 OD2 ASP A 21 8.620 0.366 -7.942 1.00 0.00 O ATOM 0 H ASP A 21 10.270 3.266 -4.651 1.00 0.00 H new ATOM 0 HA ASP A 21 9.320 2.806 -7.414 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.843 1.015 -5.589 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.317 1.520 -4.889 1.00 0.00 H new ATOM 337 N THR A 22 7.077 4.112 -7.077 1.00 0.00 N ATOM 338 CA THR A 22 5.908 4.945 -6.800 1.00 0.00 C ATOM 339 C THR A 22 4.853 4.107 -6.082 1.00 0.00 C ATOM 340 O THR A 22 4.781 2.886 -6.254 1.00 0.00 O ATOM 341 CB THR A 22 5.301 5.490 -8.109 1.00 0.00 C ATOM 342 OG1 THR A 22 5.231 4.483 -9.102 1.00 0.00 O ATOM 343 CG2 THR A 22 6.046 6.709 -8.653 1.00 0.00 C ATOM 0 H THR A 22 7.201 3.835 -8.051 1.00 0.00 H new ATOM 0 HA THR A 22 6.220 5.784 -6.178 1.00 0.00 H new ATOM 0 HB THR A 22 4.292 5.814 -7.856 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.841 4.857 -9.920 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.570 7.045 -9.575 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.017 7.512 -7.916 1.00 0.00 H new ATOM 0 HG23 THR A 22 7.083 6.441 -8.857 1.00 0.00 H new ATOM 351 N ILE A 23 3.949 4.773 -5.357 1.00 0.00 N ATOM 352 CA ILE A 23 2.867 4.063 -4.677 1.00 0.00 C ATOM 353 C ILE A 23 1.978 3.410 -5.745 1.00 0.00 C ATOM 354 O ILE A 23 1.347 2.397 -5.468 1.00 0.00 O ATOM 355 CB ILE A 23 2.113 4.997 -3.710 1.00 0.00 C ATOM 356 CG1 ILE A 23 3.025 5.499 -2.568 1.00 0.00 C ATOM 357 CG2 ILE A 23 0.841 4.361 -3.117 1.00 0.00 C ATOM 358 CD1 ILE A 23 3.640 4.423 -1.662 1.00 0.00 C ATOM 0 H ILE A 23 3.945 5.785 -5.228 1.00 0.00 H new ATOM 0 HA ILE A 23 3.258 3.269 -4.041 1.00 0.00 H new ATOM 0 HB ILE A 23 1.802 5.847 -4.318 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.836 6.079 -3.008 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.447 6.181 -1.944 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.358 5.071 -2.445 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.155 4.100 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 23 1.108 3.461 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 23 4.258 4.898 -0.901 1.00 0.00 H new ATOM 0 HD12 ILE A 23 2.844 3.855 -1.180 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.255 3.751 -2.261 1.00 0.00 H new ATOM 370 N GLU A 24 1.942 3.967 -6.961 1.00 0.00 N ATOM 371 CA GLU A 24 1.168 3.460 -8.085 1.00 0.00 C ATOM 372 C GLU A 24 1.562 2.007 -8.368 1.00 0.00 C ATOM 373 O GLU A 24 0.694 1.178 -8.638 1.00 0.00 O ATOM 374 CB GLU A 24 1.415 4.380 -9.296 1.00 0.00 C ATOM 375 CG GLU A 24 0.306 4.288 -10.356 1.00 0.00 C ATOM 376 CD GLU A 24 0.156 5.583 -11.161 1.00 0.00 C ATOM 377 OE1 GLU A 24 -0.968 6.144 -11.194 1.00 0.00 O ATOM 378 OE2 GLU A 24 1.148 6.046 -11.769 1.00 0.00 O ATOM 0 H GLU A 24 2.470 4.809 -7.190 1.00 0.00 H new ATOM 0 HA GLU A 24 0.101 3.464 -7.862 1.00 0.00 H new ATOM 0 HB2 GLU A 24 1.496 5.411 -8.952 1.00 0.00 H new ATOM 0 HB3 GLU A 24 2.370 4.121 -9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 24 0.525 3.465 -11.036 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.640 4.055 -9.868 1.00 0.00 H new ATOM 385 N ASN A 25 2.864 1.709 -8.317 1.00 0.00 N ATOM 386 CA ASN A 25 3.398 0.373 -8.539 1.00 0.00 C ATOM 387 C ASN A 25 3.110 -0.501 -7.332 1.00 0.00 C ATOM 388 O ASN A 25 2.475 -1.544 -7.457 1.00 0.00 O ATOM 389 CB ASN A 25 4.907 0.403 -8.797 1.00 0.00 C ATOM 390 CG ASN A 25 5.170 0.695 -10.257 1.00 0.00 C ATOM 391 OD1 ASN A 25 5.125 -0.200 -11.094 1.00 0.00 O ATOM 392 ND2 ASN A 25 5.357 1.951 -10.612 1.00 0.00 N ATOM 0 H ASN A 25 3.583 2.404 -8.117 1.00 0.00 H new ATOM 0 HA ASN A 25 2.911 -0.037 -9.424 1.00 0.00 H new ATOM 0 HB2 ASN A 25 5.377 1.164 -8.174 1.00 0.00 H new ATOM 0 HB3 ASN A 25 5.352 -0.553 -8.522 1.00 0.00 H new ATOM 0 HD21 ASN A 25 5.467 2.192 -11.597 1.00 0.00 H new ATOM 0 HD22 ASN A 25 5.392 2.682 -9.902 1.00 0.00 H new ATOM 399 N VAL A 26 3.521 -0.067 -6.141 1.00 0.00 N ATOM 400 CA VAL A 26 3.330 -0.826 -4.905 1.00 0.00 C ATOM 401 C VAL A 26 1.866 -1.218 -4.665 1.00 0.00 C ATOM 402 O VAL A 26 1.584 -2.338 -4.227 1.00 0.00 O ATOM 403 CB VAL A 26 3.936 -0.041 -3.727 1.00 0.00 C ATOM 404 CG1 VAL A 26 3.859 -0.856 -2.438 1.00 0.00 C ATOM 405 CG2 VAL A 26 5.410 0.277 -3.977 1.00 0.00 C ATOM 0 H VAL A 26 3.998 0.824 -6.006 1.00 0.00 H new ATOM 0 HA VAL A 26 3.858 -1.775 -4.999 1.00 0.00 H new ATOM 0 HB VAL A 26 3.362 0.881 -3.634 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.293 -0.283 -1.619 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.817 -1.081 -2.212 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.413 -1.787 -2.562 1.00 0.00 H new ATOM 0 HG21 VAL A 26 5.811 0.832 -3.129 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.967 -0.652 -4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.504 0.878 -4.881 1.00 0.00 H new ATOM 415 N LYS A 27 0.924 -0.324 -4.954 1.00 0.00 N ATOM 416 CA LYS A 27 -0.500 -0.573 -4.774 1.00 0.00 C ATOM 417 C LYS A 27 -1.043 -1.492 -5.880 1.00 0.00 C ATOM 418 O LYS A 27 -2.136 -2.031 -5.721 1.00 0.00 O ATOM 419 CB LYS A 27 -1.203 0.784 -4.723 1.00 0.00 C ATOM 420 CG LYS A 27 -2.628 0.711 -4.157 1.00 0.00 C ATOM 421 CD LYS A 27 -3.347 2.061 -4.248 1.00 0.00 C ATOM 422 CE LYS A 27 -3.447 2.444 -5.724 1.00 0.00 C ATOM 423 NZ LYS A 27 -4.368 3.555 -5.980 1.00 0.00 N ATOM 0 H LYS A 27 1.132 0.604 -5.324 1.00 0.00 H new ATOM 0 HA LYS A 27 -0.690 -1.104 -3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -0.613 1.468 -4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.240 1.204 -5.728 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.198 -0.041 -4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.590 0.389 -3.116 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.340 1.995 -3.803 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.799 2.823 -3.693 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.456 2.713 -6.089 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.772 1.574 -6.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.387 3.762 -6.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.323 3.295 -5.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.048 4.398 -5.462 1.00 0.00 H new ATOM 437 N ALA A 28 -0.319 -1.670 -6.989 1.00 0.00 N ATOM 438 CA ALA A 28 -0.702 -2.542 -8.090 1.00 0.00 C ATOM 439 C ALA A 28 -0.150 -3.942 -7.835 1.00 0.00 C ATOM 440 O ALA A 28 -0.888 -4.911 -7.983 1.00 0.00 O ATOM 441 CB ALA A 28 -0.236 -1.973 -9.429 1.00 0.00 C ATOM 0 H ALA A 28 0.571 -1.197 -7.144 1.00 0.00 H new ATOM 0 HA ALA A 28 -1.789 -2.605 -8.145 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -0.535 -2.645 -10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -0.689 -0.994 -9.586 1.00 0.00 H new ATOM 0 HB3 ALA A 28 0.849 -1.874 -9.424 1.00 0.00 H new ATOM 447 N LYS A 29 1.096 -4.066 -7.353 1.00 0.00 N ATOM 448 CA LYS A 29 1.720 -5.360 -7.061 1.00 0.00 C ATOM 449 C LYS A 29 0.812 -6.189 -6.135 1.00 0.00 C ATOM 450 O LYS A 29 0.685 -7.404 -6.314 1.00 0.00 O ATOM 451 CB LYS A 29 3.117 -5.184 -6.436 1.00 0.00 C ATOM 452 CG LYS A 29 4.222 -4.469 -7.243 1.00 0.00 C ATOM 453 CD LYS A 29 5.426 -4.166 -6.322 1.00 0.00 C ATOM 454 CE LYS A 29 6.447 -3.180 -6.916 1.00 0.00 C ATOM 455 NZ LYS A 29 7.752 -3.799 -7.238 1.00 0.00 N ATOM 0 H LYS A 29 1.699 -3.267 -7.155 1.00 0.00 H new ATOM 0 HA LYS A 29 1.847 -5.894 -8.003 1.00 0.00 H new ATOM 0 HB2 LYS A 29 2.991 -4.640 -5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.489 -6.176 -6.180 1.00 0.00 H new ATOM 0 HG2 LYS A 29 4.539 -5.094 -8.078 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.834 -3.543 -7.668 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.055 -3.763 -5.380 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.935 -5.101 -6.090 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.030 -2.740 -7.822 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.606 -2.365 -6.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.406 -3.069 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.148 -4.240 -6.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.621 -4.524 -7.972 1.00 0.00 H new ATOM 469 N ILE A 30 0.175 -5.576 -5.130 1.00 0.00 N ATOM 470 CA ILE A 30 -0.722 -6.275 -4.208 1.00 0.00 C ATOM 471 C ILE A 30 -1.931 -6.872 -4.938 1.00 0.00 C ATOM 472 O ILE A 30 -2.444 -7.886 -4.472 1.00 0.00 O ATOM 473 CB ILE A 30 -1.197 -5.393 -3.024 1.00 0.00 C ATOM 474 CG1 ILE A 30 -1.873 -4.089 -3.495 1.00 0.00 C ATOM 475 CG2 ILE A 30 -0.054 -5.069 -2.052 1.00 0.00 C ATOM 476 CD1 ILE A 30 -2.539 -3.268 -2.386 1.00 0.00 C ATOM 0 H ILE A 30 0.269 -4.579 -4.935 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.127 -7.085 -3.786 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.942 -5.986 -2.494 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.125 -3.467 -3.988 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.625 -4.337 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.432 -4.450 -1.239 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.351 -5.995 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.733 -4.532 -2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.986 -2.371 -2.815 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.314 -3.866 -1.906 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.791 -2.982 -1.646 1.00 0.00 H new ATOM 488 N GLN A 31 -2.358 -6.308 -6.074 1.00 0.00 N ATOM 489 CA GLN A 31 -3.504 -6.779 -6.848 1.00 0.00 C ATOM 490 C GLN A 31 -3.112 -8.035 -7.633 1.00 0.00 C ATOM 491 O GLN A 31 -3.974 -8.800 -8.060 1.00 0.00 O ATOM 492 CB GLN A 31 -4.025 -5.684 -7.798 1.00 0.00 C ATOM 493 CG GLN A 31 -4.175 -4.306 -7.134 1.00 0.00 C ATOM 494 CD GLN A 31 -4.780 -3.259 -8.068 1.00 0.00 C ATOM 495 OE1 GLN A 31 -4.085 -2.501 -8.740 1.00 0.00 O ATOM 496 NE2 GLN A 31 -6.093 -3.165 -8.122 1.00 0.00 N ATOM 0 H GLN A 31 -1.904 -5.493 -6.487 1.00 0.00 H new ATOM 0 HA GLN A 31 -4.312 -7.025 -6.159 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.344 -5.597 -8.645 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.992 -5.992 -8.197 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.803 -4.402 -6.248 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.197 -3.963 -6.796 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.673 -3.793 -7.565 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.530 -2.464 -8.721 1.00 0.00 H new ATOM 505 N ASP A 32 -1.816 -8.274 -7.853 1.00 0.00 N ATOM 506 CA ASP A 32 -1.356 -9.483 -8.542 1.00 0.00 C ATOM 507 C ASP A 32 -1.409 -10.637 -7.529 1.00 0.00 C ATOM 508 O ASP A 32 -1.881 -11.730 -7.857 1.00 0.00 O ATOM 509 CB ASP A 32 0.064 -9.295 -9.119 1.00 0.00 C ATOM 510 CG ASP A 32 0.973 -10.521 -8.943 1.00 0.00 C ATOM 511 OD1 ASP A 32 0.666 -11.607 -9.481 1.00 0.00 O ATOM 512 OD2 ASP A 32 1.991 -10.387 -8.220 1.00 0.00 O ATOM 0 H ASP A 32 -1.066 -7.646 -7.564 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.000 -9.703 -9.394 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.014 -9.061 -10.181 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.531 -8.436 -8.637 1.00 0.00 H new ATOM 517 N LYS A 33 -1.035 -10.388 -6.264 1.00 0.00 N ATOM 518 CA LYS A 33 -1.030 -11.440 -5.235 1.00 0.00 C ATOM 519 C LYS A 33 -2.350 -11.616 -4.476 1.00 0.00 C ATOM 520 O LYS A 33 -2.506 -12.644 -3.816 1.00 0.00 O ATOM 521 CB LYS A 33 0.156 -11.225 -4.283 1.00 0.00 C ATOM 522 CG LYS A 33 1.324 -12.187 -4.535 1.00 0.00 C ATOM 523 CD LYS A 33 2.541 -11.808 -3.675 1.00 0.00 C ATOM 524 CE LYS A 33 3.691 -12.813 -3.772 1.00 0.00 C ATOM 525 NZ LYS A 33 3.378 -14.101 -3.119 1.00 0.00 N ATOM 0 H LYS A 33 -0.734 -9.472 -5.930 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.912 -12.385 -5.766 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.512 -10.200 -4.384 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -0.187 -11.344 -3.255 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.016 -13.207 -4.307 1.00 0.00 H new ATOM 0 HG3 LYS A 33 1.598 -12.165 -5.590 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.900 -10.825 -3.980 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.229 -11.724 -2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.926 -12.990 -4.822 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.582 -12.385 -3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.196 -14.739 -3.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.163 -13.938 -2.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.554 -14.534 -3.583 1.00 0.00 H new ATOM 539 N GLU A 34 -3.284 -10.667 -4.519 1.00 0.00 N ATOM 540 CA GLU A 34 -4.579 -10.751 -3.841 1.00 0.00 C ATOM 541 C GLU A 34 -5.607 -10.132 -4.793 1.00 0.00 C ATOM 542 O GLU A 34 -5.267 -9.220 -5.546 1.00 0.00 O ATOM 543 CB GLU A 34 -4.516 -9.992 -2.498 1.00 0.00 C ATOM 544 CG GLU A 34 -5.618 -10.384 -1.497 1.00 0.00 C ATOM 545 CD GLU A 34 -5.225 -11.624 -0.687 1.00 0.00 C ATOM 546 OE1 GLU A 34 -5.111 -11.546 0.557 1.00 0.00 O ATOM 547 OE2 GLU A 34 -4.943 -12.683 -1.294 1.00 0.00 O ATOM 0 H GLU A 34 -3.159 -9.798 -5.038 1.00 0.00 H new ATOM 0 HA GLU A 34 -4.853 -11.780 -3.609 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.544 -10.170 -2.038 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.584 -8.922 -2.695 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.809 -9.551 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -6.547 -10.578 -2.034 1.00 0.00 H new ATOM 554 N GLY A 35 -6.866 -10.568 -4.754 1.00 0.00 N ATOM 555 CA GLY A 35 -7.901 -10.048 -5.641 1.00 0.00 C ATOM 556 C GLY A 35 -8.571 -8.809 -5.069 1.00 0.00 C ATOM 557 O GLY A 35 -9.623 -8.925 -4.436 1.00 0.00 O ATOM 0 H GLY A 35 -7.194 -11.288 -4.110 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.462 -9.808 -6.609 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.652 -10.819 -5.814 1.00 0.00 H new ATOM 561 N ILE A 36 -7.994 -7.630 -5.297 1.00 0.00 N ATOM 562 CA ILE A 36 -8.512 -6.346 -4.824 1.00 0.00 C ATOM 563 C ILE A 36 -8.452 -5.341 -5.997 1.00 0.00 C ATOM 564 O ILE A 36 -7.352 -4.926 -6.359 1.00 0.00 O ATOM 565 CB ILE A 36 -7.756 -5.898 -3.544 1.00 0.00 C ATOM 566 CG1 ILE A 36 -6.228 -6.159 -3.586 1.00 0.00 C ATOM 567 CG2 ILE A 36 -8.387 -6.602 -2.323 1.00 0.00 C ATOM 568 CD1 ILE A 36 -5.460 -5.635 -2.369 1.00 0.00 C ATOM 0 H ILE A 36 -7.129 -7.539 -5.830 1.00 0.00 H new ATOM 0 HA ILE A 36 -9.556 -6.418 -4.518 1.00 0.00 H new ATOM 0 HB ILE A 36 -7.863 -4.816 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -6.058 -7.232 -3.673 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.818 -5.698 -4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -7.865 -6.296 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.439 -6.326 -2.247 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.304 -7.682 -2.443 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -4.400 -5.861 -2.483 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.595 -4.556 -2.291 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -5.838 -6.114 -1.466 1.00 0.00 H new ATOM 580 N PRO A 37 -9.588 -4.942 -6.610 1.00 0.00 N ATOM 581 CA PRO A 37 -9.631 -4.004 -7.736 1.00 0.00 C ATOM 582 C PRO A 37 -9.255 -2.566 -7.357 1.00 0.00 C ATOM 583 O PRO A 37 -9.219 -2.238 -6.173 1.00 0.00 O ATOM 584 CB PRO A 37 -11.096 -3.985 -8.207 1.00 0.00 C ATOM 585 CG PRO A 37 -11.727 -5.222 -7.589 1.00 0.00 C ATOM 586 CD PRO A 37 -10.942 -5.362 -6.290 1.00 0.00 C ATOM 0 HA PRO A 37 -8.913 -4.333 -8.487 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -11.604 -3.078 -7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.161 -4.011 -9.295 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.794 -5.089 -7.409 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.618 -6.098 -8.228 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.370 -4.741 -5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.959 -6.390 -5.929 1.00 0.00 H new ATOM 594 N PRO A 38 -9.028 -1.661 -8.330 1.00 0.00 N ATOM 595 CA PRO A 38 -8.713 -0.261 -8.056 1.00 0.00 C ATOM 596 C PRO A 38 -10.033 0.495 -7.802 1.00 0.00 C ATOM 597 O PRO A 38 -10.380 1.476 -8.458 1.00 0.00 O ATOM 598 CB PRO A 38 -7.925 0.245 -9.279 1.00 0.00 C ATOM 599 CG PRO A 38 -8.005 -0.883 -10.305 1.00 0.00 C ATOM 600 CD PRO A 38 -9.021 -1.881 -9.762 1.00 0.00 C ATOM 0 HA PRO A 38 -8.103 -0.109 -7.166 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -8.357 1.165 -9.672 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.890 0.465 -9.017 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.315 -0.503 -11.278 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -7.032 -1.354 -10.442 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -10.008 -1.714 -10.193 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -8.737 -2.905 -10.003 1.00 0.00 H new ATOM 608 N ASP A 39 -10.792 0.018 -6.825 1.00 0.00 N ATOM 609 CA ASP A 39 -12.073 0.494 -6.327 1.00 0.00 C ATOM 610 C ASP A 39 -12.102 0.010 -4.887 1.00 0.00 C ATOM 611 O ASP A 39 -11.650 -1.101 -4.599 1.00 0.00 O ATOM 612 CB ASP A 39 -13.286 -0.024 -7.112 1.00 0.00 C ATOM 613 CG ASP A 39 -14.597 0.486 -6.493 1.00 0.00 C ATOM 614 OD1 ASP A 39 -14.617 1.587 -5.892 1.00 0.00 O ATOM 615 OD2 ASP A 39 -15.624 -0.225 -6.561 1.00 0.00 O ATOM 0 H ASP A 39 -10.489 -0.805 -6.304 1.00 0.00 H new ATOM 0 HA ASP A 39 -12.152 1.576 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -13.218 0.301 -8.150 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -13.282 -1.114 -7.118 1.00 0.00 H new ATOM 620 N GLN A 40 -12.538 0.868 -3.968 1.00 0.00 N ATOM 621 CA GLN A 40 -12.604 0.584 -2.543 1.00 0.00 C ATOM 622 C GLN A 40 -11.225 0.116 -2.082 1.00 0.00 C ATOM 623 O GLN A 40 -11.089 -0.872 -1.363 1.00 0.00 O ATOM 624 CB GLN A 40 -13.718 -0.439 -2.230 1.00 0.00 C ATOM 625 CG GLN A 40 -15.111 -0.072 -2.758 1.00 0.00 C ATOM 626 CD GLN A 40 -15.486 1.392 -2.546 1.00 0.00 C ATOM 627 OE1 GLN A 40 -15.272 1.978 -1.489 1.00 0.00 O ATOM 628 NE2 GLN A 40 -16.018 2.053 -3.557 1.00 0.00 N ATOM 0 H GLN A 40 -12.863 1.805 -4.204 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.868 1.485 -1.989 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.431 -1.404 -2.649 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.779 -0.566 -1.149 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -15.156 -0.298 -3.823 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -15.853 -0.702 -2.267 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -16.200 1.575 -4.440 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -16.247 3.042 -3.456 1.00 0.00 H new ATOM 637 N ASN A 41 -10.193 0.884 -2.434 1.00 0.00 N ATOM 638 CA ASN A 41 -8.820 0.563 -2.096 1.00 0.00 C ATOM 639 C ASN A 41 -8.111 1.859 -1.759 1.00 0.00 C ATOM 640 O ASN A 41 -8.253 2.848 -2.477 1.00 0.00 O ATOM 641 CB ASN A 41 -8.126 -0.140 -3.279 1.00 0.00 C ATOM 642 CG ASN A 41 -8.098 -1.652 -3.097 1.00 0.00 C ATOM 643 OD1 ASN A 41 -7.056 -2.214 -2.770 1.00 0.00 O ATOM 644 ND2 ASN A 41 -9.215 -2.332 -3.278 1.00 0.00 N ATOM 0 H ASN A 41 -10.295 1.749 -2.964 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.789 -0.116 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.647 0.106 -4.205 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -7.107 0.234 -3.378 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.223 -3.343 -3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.070 -1.846 -3.550 1.00 0.00 H new ATOM 651 N ARG A 42 -7.345 1.874 -0.668 1.00 0.00 N ATOM 652 CA ARG A 42 -6.602 3.041 -0.209 1.00 0.00 C ATOM 653 C ARG A 42 -5.515 2.496 0.701 1.00 0.00 C ATOM 654 O ARG A 42 -5.813 1.706 1.596 1.00 0.00 O ATOM 655 CB ARG A 42 -7.593 3.952 0.538 1.00 0.00 C ATOM 656 CG ARG A 42 -7.124 5.399 0.730 1.00 0.00 C ATOM 657 CD ARG A 42 -8.326 6.257 1.157 1.00 0.00 C ATOM 658 NE ARG A 42 -9.253 6.486 0.031 1.00 0.00 N ATOM 659 CZ ARG A 42 -9.174 7.449 -0.893 1.00 0.00 C ATOM 660 NH1 ARG A 42 -8.314 8.449 -0.753 1.00 0.00 N ATOM 661 NH2 ARG A 42 -9.958 7.396 -1.960 1.00 0.00 N ATOM 0 H ARG A 42 -7.223 1.058 -0.069 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.148 3.629 -1.007 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.537 3.961 -0.007 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.795 3.518 1.517 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.340 5.444 1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -6.696 5.783 -0.196 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -8.856 5.763 1.972 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.973 7.215 1.540 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.038 5.840 -0.051 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.706 8.488 0.065 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -8.261 9.179 -1.463 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -10.616 6.624 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -9.904 8.127 -2.669 1.00 0.00 H new ATOM 675 N LEU A 43 -4.276 2.941 0.512 1.00 0.00 N ATOM 676 CA LEU A 43 -3.119 2.493 1.276 1.00 0.00 C ATOM 677 C LEU A 43 -2.804 3.511 2.364 1.00 0.00 C ATOM 678 O LEU A 43 -2.796 4.710 2.093 1.00 0.00 O ATOM 679 CB LEU A 43 -1.965 2.317 0.278 1.00 0.00 C ATOM 680 CG LEU A 43 -0.707 1.664 0.868 1.00 0.00 C ATOM 681 CD1 LEU A 43 -0.931 0.194 1.238 1.00 0.00 C ATOM 682 CD2 LEU A 43 0.415 1.784 -0.172 1.00 0.00 C ATOM 0 H LEU A 43 -4.045 3.640 -0.194 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.300 1.545 1.782 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.314 1.712 -0.559 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.697 3.294 -0.124 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.443 2.178 1.792 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.012 -0.221 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.726 0.123 1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.214 -0.366 0.347 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.324 1.328 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.118 1.273 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.601 2.836 -0.387 1.00 0.00 H new ATOM 694 N ILE A 44 -2.493 3.053 3.577 1.00 0.00 N ATOM 695 CA ILE A 44 -2.196 3.905 4.726 1.00 0.00 C ATOM 696 C ILE A 44 -0.954 3.366 5.450 1.00 0.00 C ATOM 697 O ILE A 44 -0.791 2.150 5.573 1.00 0.00 O ATOM 698 CB ILE A 44 -3.415 3.899 5.694 1.00 0.00 C ATOM 699 CG1 ILE A 44 -4.827 3.908 5.048 1.00 0.00 C ATOM 700 CG2 ILE A 44 -3.304 5.031 6.732 1.00 0.00 C ATOM 701 CD1 ILE A 44 -5.275 5.224 4.408 1.00 0.00 C ATOM 0 H ILE A 44 -2.440 2.057 3.791 1.00 0.00 H new ATOM 0 HA ILE A 44 -2.003 4.925 4.392 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.344 2.922 6.171 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.859 3.129 4.286 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -5.554 3.635 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -4.169 5.003 7.395 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.394 4.900 7.317 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -3.271 5.992 6.220 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -6.275 5.104 3.992 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.288 6.010 5.163 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -4.581 5.496 3.612 1.00 0.00 H new ATOM 713 N PHE A 45 -0.078 4.239 5.951 1.00 0.00 N ATOM 714 CA PHE A 45 1.123 3.871 6.696 1.00 0.00 C ATOM 715 C PHE A 45 1.251 4.846 7.852 1.00 0.00 C ATOM 716 O PHE A 45 1.257 6.051 7.622 1.00 0.00 O ATOM 717 CB PHE A 45 2.394 3.922 5.845 1.00 0.00 C ATOM 718 CG PHE A 45 3.655 3.555 6.617 1.00 0.00 C ATOM 719 CD1 PHE A 45 3.741 2.334 7.320 1.00 0.00 C ATOM 720 CD2 PHE A 45 4.738 4.453 6.671 1.00 0.00 C ATOM 721 CE1 PHE A 45 4.899 2.007 8.045 1.00 0.00 C ATOM 722 CE2 PHE A 45 5.906 4.117 7.379 1.00 0.00 C ATOM 723 CZ PHE A 45 5.991 2.892 8.062 1.00 0.00 C ATOM 0 H PHE A 45 -0.189 5.247 5.846 1.00 0.00 H new ATOM 0 HA PHE A 45 1.020 2.840 7.034 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.284 3.243 5.000 1.00 0.00 H new ATOM 0 HB3 PHE A 45 2.507 4.925 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.909 1.645 7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 45 4.672 5.405 6.166 1.00 0.00 H new ATOM 0 HE1 PHE A 45 4.950 1.076 8.589 1.00 0.00 H new ATOM 0 HE2 PHE A 45 6.740 4.803 7.398 1.00 0.00 H new ATOM 0 HZ PHE A 45 6.892 2.631 8.598 1.00 0.00 H new ATOM 733 N ALA A 46 1.365 4.336 9.081 1.00 0.00 N ATOM 734 CA ALA A 46 1.486 5.169 10.286 1.00 0.00 C ATOM 735 C ALA A 46 0.341 6.201 10.352 1.00 0.00 C ATOM 736 O ALA A 46 0.540 7.333 10.791 1.00 0.00 O ATOM 737 CB ALA A 46 2.888 5.800 10.355 1.00 0.00 C ATOM 0 H ALA A 46 1.376 3.334 9.272 1.00 0.00 H new ATOM 0 HA ALA A 46 1.381 4.547 11.175 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.966 6.415 11.252 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.640 5.012 10.388 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.051 6.421 9.474 1.00 0.00 H new ATOM 743 N GLY A 47 -0.846 5.837 9.855 1.00 0.00 N ATOM 744 CA GLY A 47 -2.029 6.688 9.822 1.00 0.00 C ATOM 745 C GLY A 47 -2.021 7.669 8.642 1.00 0.00 C ATOM 746 O GLY A 47 -3.062 8.245 8.322 1.00 0.00 O ATOM 0 H GLY A 47 -1.010 4.914 9.454 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.920 6.063 9.763 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.094 7.249 10.755 1.00 0.00 H new ATOM 750 N LYS A 48 -0.878 7.899 7.990 1.00 0.00 N ATOM 751 CA LYS A 48 -0.762 8.814 6.863 1.00 0.00 C ATOM 752 C LYS A 48 -1.280 8.105 5.623 1.00 0.00 C ATOM 753 O LYS A 48 -0.885 6.968 5.352 1.00 0.00 O ATOM 754 CB LYS A 48 0.705 9.239 6.700 1.00 0.00 C ATOM 755 CG LYS A 48 0.859 10.324 5.623 1.00 0.00 C ATOM 756 CD LYS A 48 2.223 11.024 5.678 1.00 0.00 C ATOM 757 CE LYS A 48 2.367 11.833 6.974 1.00 0.00 C ATOM 758 NZ LYS A 48 3.403 12.877 6.881 1.00 0.00 N ATOM 0 H LYS A 48 0.002 7.446 8.237 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.351 9.716 7.027 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.085 9.612 7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.309 8.372 6.434 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.725 9.875 4.639 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.070 11.066 5.745 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.020 10.283 5.616 1.00 0.00 H new ATOM 0 HD3 LYS A 48 2.333 11.684 4.818 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.411 12.297 7.216 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.610 11.157 7.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.458 13.392 7.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.323 12.436 6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.160 13.540 6.117 1.00 0.00 H new ATOM 772 N GLN A 49 -2.224 8.730 4.924 1.00 0.00 N ATOM 773 CA GLN A 49 -2.783 8.155 3.713 1.00 0.00 C ATOM 774 C GLN A 49 -1.761 8.323 2.593 1.00 0.00 C ATOM 775 O GLN A 49 -1.130 9.374 2.486 1.00 0.00 O ATOM 776 CB GLN A 49 -4.132 8.771 3.335 1.00 0.00 C ATOM 777 CG GLN A 49 -5.143 8.852 4.494 1.00 0.00 C ATOM 778 CD GLN A 49 -5.196 10.207 5.199 1.00 0.00 C ATOM 779 OE1 GLN A 49 -4.910 11.251 4.615 1.00 0.00 O ATOM 780 NE2 GLN A 49 -5.546 10.228 6.472 1.00 0.00 N ATOM 0 H GLN A 49 -2.616 9.636 5.180 1.00 0.00 H new ATOM 0 HA GLN A 49 -2.985 7.098 3.885 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.963 9.775 2.946 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -4.571 8.186 2.527 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.136 8.618 4.110 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -4.897 8.085 5.228 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.782 9.359 6.950 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.580 11.114 6.977 1.00 0.00 H new ATOM 789 N LEU A 50 -1.576 7.281 1.787 1.00 0.00 N ATOM 790 CA LEU A 50 -0.639 7.250 0.675 1.00 0.00 C ATOM 791 C LEU A 50 -1.424 7.138 -0.625 1.00 0.00 C ATOM 792 O LEU A 50 -2.561 6.657 -0.631 1.00 0.00 O ATOM 793 CB LEU A 50 0.296 6.035 0.795 1.00 0.00 C ATOM 794 CG LEU A 50 0.940 5.795 2.172 1.00 0.00 C ATOM 795 CD1 LEU A 50 1.833 4.562 2.054 1.00 0.00 C ATOM 796 CD2 LEU A 50 1.787 6.971 2.662 1.00 0.00 C ATOM 0 H LEU A 50 -2.092 6.408 1.896 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.042 8.162 0.687 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.268 5.143 0.522 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.094 6.145 0.060 1.00 0.00 H new ATOM 0 HG LEU A 50 0.138 5.664 2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.307 4.363 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 50 1.230 3.703 1.761 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.601 4.740 1.301 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.210 6.733 3.638 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.593 7.159 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.162 7.860 2.745 1.00 0.00 H new ATOM 808 N GLU A 51 -0.835 7.604 -1.724 1.00 0.00 N ATOM 809 CA GLU A 51 -1.424 7.564 -3.051 1.00 0.00 C ATOM 810 C GLU A 51 -0.299 7.774 -4.073 1.00 0.00 C ATOM 811 O GLU A 51 0.841 8.088 -3.705 1.00 0.00 O ATOM 812 CB GLU A 51 -2.596 8.565 -3.158 1.00 0.00 C ATOM 813 CG GLU A 51 -2.357 9.943 -2.519 1.00 0.00 C ATOM 814 CD GLU A 51 -3.658 10.733 -2.375 1.00 0.00 C ATOM 815 OE1 GLU A 51 -4.545 10.325 -1.582 1.00 0.00 O ATOM 816 OE2 GLU A 51 -3.803 11.782 -3.043 1.00 0.00 O ATOM 0 H GLU A 51 0.091 8.031 -1.710 1.00 0.00 H new ATOM 0 HA GLU A 51 -1.877 6.596 -3.264 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.831 8.710 -4.213 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.475 8.118 -2.694 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.899 9.815 -1.538 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.653 10.509 -3.128 1.00 0.00 H new ATOM 823 N ASP A 52 -0.636 7.671 -5.353 1.00 0.00 N ATOM 824 CA ASP A 52 0.250 7.786 -6.501 1.00 0.00 C ATOM 825 C ASP A 52 0.718 9.203 -6.783 1.00 0.00 C ATOM 826 O ASP A 52 0.189 10.198 -6.284 1.00 0.00 O ATOM 827 CB ASP A 52 -0.363 7.172 -7.767 1.00 0.00 C ATOM 828 CG ASP A 52 -1.613 7.884 -8.265 1.00 0.00 C ATOM 829 OD1 ASP A 52 -2.718 7.405 -7.916 1.00 0.00 O ATOM 830 OD2 ASP A 52 -1.531 8.851 -9.049 1.00 0.00 O ATOM 0 H ASP A 52 -1.600 7.493 -5.633 1.00 0.00 H new ATOM 0 HA ASP A 52 1.134 7.213 -6.222 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.385 7.179 -8.559 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.608 6.128 -7.569 1.00 0.00 H new ATOM 835 N GLY A 53 1.806 9.235 -7.546 1.00 0.00 N ATOM 836 CA GLY A 53 2.535 10.400 -7.993 1.00 0.00 C ATOM 837 C GLY A 53 3.817 10.525 -7.184 1.00 0.00 C ATOM 838 O GLY A 53 4.806 11.034 -7.714 1.00 0.00 O ATOM 0 H GLY A 53 2.228 8.373 -7.891 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.767 10.314 -9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 53 1.925 11.295 -7.872 1.00 0.00 H new ATOM 842 N ARG A 54 3.818 10.051 -5.929 1.00 0.00 N ATOM 843 CA ARG A 54 4.983 10.093 -5.045 1.00 0.00 C ATOM 844 C ARG A 54 5.577 8.698 -4.857 1.00 0.00 C ATOM 845 O ARG A 54 4.926 7.700 -5.192 1.00 0.00 O ATOM 846 CB ARG A 54 4.602 10.817 -3.752 1.00 0.00 C ATOM 847 CG ARG A 54 4.467 12.322 -4.016 1.00 0.00 C ATOM 848 CD ARG A 54 4.247 13.092 -2.716 1.00 0.00 C ATOM 849 NE ARG A 54 3.417 14.284 -2.942 1.00 0.00 N ATOM 850 CZ ARG A 54 3.136 15.218 -2.036 1.00 0.00 C ATOM 851 NH1 ARG A 54 3.707 15.176 -0.837 1.00 0.00 N ATOM 852 NH2 ARG A 54 2.285 16.189 -2.336 1.00 0.00 N ATOM 0 H ARG A 54 2.998 9.624 -5.498 1.00 0.00 H new ATOM 0 HA ARG A 54 5.792 10.670 -5.493 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.662 10.421 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 54 5.360 10.639 -2.989 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.366 12.689 -4.512 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.633 12.502 -4.694 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.767 12.444 -1.983 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.209 13.389 -2.298 1.00 0.00 H new ATOM 0 HE ARG A 54 3.022 14.406 -3.874 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.362 14.427 -0.610 1.00 0.00 H new ATOM 0 HH12 ARG A 54 3.491 15.892 -0.144 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.849 16.218 -3.258 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.066 16.907 -1.645 1.00 0.00 H new ATOM 866 N THR A 55 6.767 8.627 -4.262 1.00 0.00 N ATOM 867 CA THR A 55 7.495 7.390 -4.020 1.00 0.00 C ATOM 868 C THR A 55 7.700 7.129 -2.533 1.00 0.00 C ATOM 869 O THR A 55 7.402 7.976 -1.684 1.00 0.00 O ATOM 870 CB THR A 55 8.845 7.441 -4.765 1.00 0.00 C ATOM 871 OG1 THR A 55 9.736 8.401 -4.218 1.00 0.00 O ATOM 872 CG2 THR A 55 8.696 7.709 -6.263 1.00 0.00 C ATOM 0 H THR A 55 7.262 9.454 -3.927 1.00 0.00 H new ATOM 0 HA THR A 55 6.901 6.560 -4.401 1.00 0.00 H new ATOM 0 HB THR A 55 9.265 6.444 -4.629 1.00 0.00 H new ATOM 0 HG1 THR A 55 9.229 9.185 -3.921 1.00 0.00 H new ATOM 0 HG21 THR A 55 9.681 7.733 -6.728 1.00 0.00 H new ATOM 0 HG22 THR A 55 8.099 6.918 -6.717 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.201 8.668 -6.414 1.00 0.00 H new ATOM 880 N LEU A 56 8.203 5.935 -2.204 1.00 0.00 N ATOM 881 CA LEU A 56 8.485 5.529 -0.832 1.00 0.00 C ATOM 882 C LEU A 56 9.352 6.564 -0.118 1.00 0.00 C ATOM 883 O LEU A 56 9.109 6.832 1.054 1.00 0.00 O ATOM 884 CB LEU A 56 9.114 4.130 -0.760 1.00 0.00 C ATOM 885 CG LEU A 56 8.058 3.033 -0.562 1.00 0.00 C ATOM 886 CD1 LEU A 56 7.297 2.705 -1.842 1.00 0.00 C ATOM 887 CD2 LEU A 56 8.723 1.780 0.001 1.00 0.00 C ATOM 0 H LEU A 56 8.427 5.218 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 56 7.529 5.474 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.671 3.936 -1.677 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.830 4.096 0.061 1.00 0.00 H new ATOM 0 HG LEU A 56 7.321 3.413 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.565 1.923 -1.640 1.00 0.00 H new ATOM 0 HD12 LEU A 56 6.785 3.598 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 56 7.997 2.359 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 56 7.973 1.002 0.141 1.00 0.00 H new ATOM 0 HD22 LEU A 56 9.485 1.428 -0.695 1.00 0.00 H new ATOM 0 HD23 LEU A 56 9.187 2.014 0.959 1.00 0.00 H new ATOM 899 N SER A 57 10.365 7.110 -0.792 1.00 0.00 N ATOM 900 CA SER A 57 11.283 8.113 -0.274 1.00 0.00 C ATOM 901 C SER A 57 10.507 9.361 0.154 1.00 0.00 C ATOM 902 O SER A 57 10.707 9.852 1.264 1.00 0.00 O ATOM 903 CB SER A 57 12.306 8.423 -1.383 1.00 0.00 C ATOM 904 OG SER A 57 13.331 9.314 -0.977 1.00 0.00 O ATOM 0 H SER A 57 10.573 6.850 -1.756 1.00 0.00 H new ATOM 0 HA SER A 57 11.808 7.750 0.609 1.00 0.00 H new ATOM 0 HB2 SER A 57 12.759 7.490 -1.719 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.783 8.850 -2.239 1.00 0.00 H new ATOM 0 HG SER A 57 13.946 9.467 -1.724 1.00 0.00 H new ATOM 910 N ASP A 58 9.574 9.843 -0.672 1.00 0.00 N ATOM 911 CA ASP A 58 8.773 11.035 -0.381 1.00 0.00 C ATOM 912 C ASP A 58 7.895 10.792 0.839 1.00 0.00 C ATOM 913 O ASP A 58 7.718 11.683 1.676 1.00 0.00 O ATOM 914 CB ASP A 58 7.885 11.417 -1.569 1.00 0.00 C ATOM 915 CG ASP A 58 8.696 11.635 -2.836 1.00 0.00 C ATOM 916 OD1 ASP A 58 8.675 10.723 -3.690 1.00 0.00 O ATOM 917 OD2 ASP A 58 9.399 12.672 -2.918 1.00 0.00 O ATOM 0 H ASP A 58 9.352 9.413 -1.570 1.00 0.00 H new ATOM 0 HA ASP A 58 9.464 11.855 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 58 7.149 10.631 -1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 58 7.332 12.326 -1.331 1.00 0.00 H new ATOM 922 N TYR A 59 7.336 9.586 0.944 1.00 0.00 N ATOM 923 CA TYR A 59 6.489 9.187 2.057 1.00 0.00 C ATOM 924 C TYR A 59 7.323 8.682 3.247 1.00 0.00 C ATOM 925 O TYR A 59 6.746 8.347 4.280 1.00 0.00 O ATOM 926 CB TYR A 59 5.472 8.142 1.581 1.00 0.00 C ATOM 927 CG TYR A 59 4.383 8.692 0.675 1.00 0.00 C ATOM 928 CD1 TYR A 59 3.427 9.596 1.183 1.00 0.00 C ATOM 929 CD2 TYR A 59 4.276 8.250 -0.656 1.00 0.00 C ATOM 930 CE1 TYR A 59 2.361 10.035 0.376 1.00 0.00 C ATOM 931 CE2 TYR A 59 3.220 8.694 -1.470 1.00 0.00 C ATOM 932 CZ TYR A 59 2.251 9.584 -0.957 1.00 0.00 C ATOM 933 OH TYR A 59 1.208 9.987 -1.737 1.00 0.00 O ATOM 0 H TYR A 59 7.463 8.853 0.247 1.00 0.00 H new ATOM 0 HA TYR A 59 5.942 10.059 2.415 1.00 0.00 H new ATOM 0 HB2 TYR A 59 6.003 7.351 1.051 1.00 0.00 H new ATOM 0 HB3 TYR A 59 5.005 7.684 2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.514 9.954 2.198 1.00 0.00 H new ATOM 0 HD2 TYR A 59 5.010 7.565 -1.055 1.00 0.00 H new ATOM 0 HE1 TYR A 59 1.626 10.718 0.777 1.00 0.00 H new ATOM 0 HE2 TYR A 59 3.149 8.353 -2.492 1.00 0.00 H new ATOM 0 HH TYR A 59 1.169 9.432 -2.544 1.00 0.00 H new ATOM 943 N ASN A 60 8.657 8.646 3.147 1.00 0.00 N ATOM 944 CA ASN A 60 9.604 8.203 4.173 1.00 0.00 C ATOM 945 C ASN A 60 9.285 6.794 4.694 1.00 0.00 C ATOM 946 O ASN A 60 9.307 6.533 5.901 1.00 0.00 O ATOM 947 CB ASN A 60 9.685 9.263 5.281 1.00 0.00 C ATOM 948 CG ASN A 60 10.810 8.999 6.273 1.00 0.00 C ATOM 949 OD1 ASN A 60 11.807 8.349 5.970 1.00 0.00 O ATOM 950 ND2 ASN A 60 10.670 9.492 7.489 1.00 0.00 N ATOM 0 H ASN A 60 9.132 8.944 2.295 1.00 0.00 H new ATOM 0 HA ASN A 60 10.594 8.110 3.728 1.00 0.00 H new ATOM 0 HB2 ASN A 60 9.829 10.244 4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 60 8.736 9.295 5.816 1.00 0.00 H new ATOM 0 HD21 ASN A 60 11.395 9.335 8.190 1.00 0.00 H new ATOM 0 HD22 ASN A 60 9.837 10.030 7.728 1.00 0.00 H new ATOM 957 N ILE A 61 9.014 5.861 3.788 1.00 0.00 N ATOM 958 CA ILE A 61 8.677 4.475 4.100 1.00 0.00 C ATOM 959 C ILE A 61 9.978 3.679 4.047 1.00 0.00 C ATOM 960 O ILE A 61 10.707 3.746 3.053 1.00 0.00 O ATOM 961 CB ILE A 61 7.610 3.959 3.110 1.00 0.00 C ATOM 962 CG1 ILE A 61 6.325 4.811 3.208 1.00 0.00 C ATOM 963 CG2 ILE A 61 7.275 2.477 3.368 1.00 0.00 C ATOM 964 CD1 ILE A 61 5.317 4.571 2.085 1.00 0.00 C ATOM 0 H ILE A 61 9.023 6.053 2.786 1.00 0.00 H new ATOM 0 HA ILE A 61 8.239 4.371 5.093 1.00 0.00 H new ATOM 0 HB ILE A 61 8.023 4.047 2.105 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.841 4.607 4.163 1.00 0.00 H new ATOM 0 HG13 ILE A 61 6.603 5.865 3.210 1.00 0.00 H new ATOM 0 HG21 ILE A 61 6.521 2.145 2.654 1.00 0.00 H new ATOM 0 HG22 ILE A 61 8.176 1.875 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 61 6.891 2.362 4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.447 5.210 2.234 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.779 4.804 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.005 3.527 2.093 1.00 0.00 H new ATOM 976 N GLN A 62 10.291 2.954 5.121 1.00 0.00 N ATOM 977 CA GLN A 62 11.500 2.144 5.234 1.00 0.00 C ATOM 978 C GLN A 62 11.202 0.667 4.974 1.00 0.00 C ATOM 979 O GLN A 62 10.043 0.279 4.798 1.00 0.00 O ATOM 980 CB GLN A 62 12.121 2.346 6.630 1.00 0.00 C ATOM 981 CG GLN A 62 12.373 3.821 6.985 1.00 0.00 C ATOM 982 CD GLN A 62 13.133 4.564 5.891 1.00 0.00 C ATOM 983 OE1 GLN A 62 14.165 4.107 5.400 1.00 0.00 O ATOM 984 NE2 GLN A 62 12.637 5.702 5.447 1.00 0.00 N ATOM 0 H GLN A 62 9.699 2.914 5.951 1.00 0.00 H new ATOM 0 HA GLN A 62 12.214 2.466 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 62 11.461 1.909 7.379 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.065 1.803 6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.419 4.317 7.161 1.00 0.00 H new ATOM 0 HG3 GLN A 62 12.937 3.876 7.916 1.00 0.00 H new ATOM 0 HE21 GLN A 62 11.782 6.079 5.855 1.00 0.00 H new ATOM 0 HE22 GLN A 62 13.109 6.205 4.695 1.00 0.00 H new ATOM 993 N LYS A 63 12.258 -0.150 4.901 1.00 0.00 N ATOM 994 CA LYS A 63 12.147 -1.588 4.682 1.00 0.00 C ATOM 995 C LYS A 63 11.477 -2.231 5.899 1.00 0.00 C ATOM 996 O LYS A 63 11.490 -1.658 6.996 1.00 0.00 O ATOM 997 CB LYS A 63 13.524 -2.197 4.366 1.00 0.00 C ATOM 998 CG LYS A 63 14.443 -2.329 5.592 1.00 0.00 C ATOM 999 CD LYS A 63 15.850 -2.796 5.200 1.00 0.00 C ATOM 1000 CE LYS A 63 16.645 -3.144 6.460 1.00 0.00 C ATOM 1001 NZ LYS A 63 18.090 -3.298 6.198 1.00 0.00 N ATOM 0 H LYS A 63 13.220 0.175 4.994 1.00 0.00 H new ATOM 0 HA LYS A 63 11.520 -1.788 3.813 1.00 0.00 H new ATOM 0 HB2 LYS A 63 13.381 -3.183 3.923 1.00 0.00 H new ATOM 0 HB3 LYS A 63 14.020 -1.580 3.617 1.00 0.00 H new ATOM 0 HG2 LYS A 63 14.508 -1.368 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 63 14.008 -3.037 6.298 1.00 0.00 H new ATOM 0 HD2 LYS A 63 15.786 -3.666 4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 63 16.361 -2.013 4.640 1.00 0.00 H new ATOM 0 HE2 LYS A 63 16.496 -2.363 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 63 16.257 -4.069 6.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 18.580 -3.533 7.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 18.238 -4.061 5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 18.471 -2.408 5.817 1.00 0.00 H new ATOM 1015 N GLU A 64 10.876 -3.397 5.696 1.00 0.00 N ATOM 1016 CA GLU A 64 10.179 -4.176 6.708 1.00 0.00 C ATOM 1017 C GLU A 64 9.084 -3.350 7.412 1.00 0.00 C ATOM 1018 O GLU A 64 8.868 -3.436 8.626 1.00 0.00 O ATOM 1019 CB GLU A 64 11.196 -4.874 7.637 1.00 0.00 C ATOM 1020 CG GLU A 64 11.656 -6.255 7.136 1.00 0.00 C ATOM 1021 CD GLU A 64 12.823 -6.291 6.138 1.00 0.00 C ATOM 1022 OE1 GLU A 64 13.002 -5.388 5.292 1.00 0.00 O ATOM 1023 OE2 GLU A 64 13.544 -7.321 6.143 1.00 0.00 O ATOM 0 H GLU A 64 10.861 -3.844 4.779 1.00 0.00 H new ATOM 0 HA GLU A 64 9.621 -4.984 6.235 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.069 -4.231 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 64 10.751 -4.987 8.626 1.00 0.00 H new ATOM 0 HG2 GLU A 64 11.936 -6.852 8.004 1.00 0.00 H new ATOM 0 HG3 GLU A 64 10.801 -6.747 6.673 1.00 0.00 H new ATOM 1030 N SER A 65 8.417 -2.466 6.671 1.00 0.00 N ATOM 1031 CA SER A 65 7.325 -1.649 7.187 1.00 0.00 C ATOM 1032 C SER A 65 6.031 -2.465 7.045 1.00 0.00 C ATOM 1033 O SER A 65 5.986 -3.406 6.255 1.00 0.00 O ATOM 1034 CB SER A 65 7.257 -0.316 6.428 1.00 0.00 C ATOM 1035 OG SER A 65 7.507 -0.464 5.046 1.00 0.00 O ATOM 0 H SER A 65 8.623 -2.297 5.686 1.00 0.00 H new ATOM 0 HA SER A 65 7.479 -1.400 8.237 1.00 0.00 H new ATOM 0 HB2 SER A 65 6.272 0.128 6.570 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.983 0.377 6.853 1.00 0.00 H new ATOM 0 HG SER A 65 8.342 -0.006 4.814 1.00 0.00 H new ATOM 1041 N THR A 66 4.989 -2.147 7.812 1.00 0.00 N ATOM 1042 CA THR A 66 3.697 -2.819 7.751 1.00 0.00 C ATOM 1043 C THR A 66 2.667 -1.717 7.541 1.00 0.00 C ATOM 1044 O THR A 66 2.551 -0.800 8.357 1.00 0.00 O ATOM 1045 CB THR A 66 3.400 -3.709 8.967 1.00 0.00 C ATOM 1046 OG1 THR A 66 4.444 -4.623 9.245 1.00 0.00 O ATOM 1047 CG2 THR A 66 2.167 -4.565 8.656 1.00 0.00 C ATOM 0 H THR A 66 5.023 -1.400 8.506 1.00 0.00 H new ATOM 0 HA THR A 66 3.677 -3.534 6.929 1.00 0.00 H new ATOM 0 HB THR A 66 3.265 -3.042 9.819 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.206 -5.163 10.027 1.00 0.00 H new ATOM 0 HG21 THR A 66 1.942 -5.204 9.510 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.315 -3.916 8.454 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.366 -5.185 7.782 1.00 0.00 H new ATOM 1055 N LEU A 67 1.935 -1.797 6.434 1.00 0.00 N ATOM 1056 CA LEU A 67 0.917 -0.830 6.054 1.00 0.00 C ATOM 1057 C LEU A 67 -0.486 -1.405 6.262 1.00 0.00 C ATOM 1058 O LEU A 67 -0.645 -2.602 6.531 1.00 0.00 O ATOM 1059 CB LEU A 67 1.141 -0.436 4.583 1.00 0.00 C ATOM 1060 CG LEU A 67 2.446 0.353 4.336 1.00 0.00 C ATOM 1061 CD1 LEU A 67 3.681 -0.520 4.073 1.00 0.00 C ATOM 1062 CD2 LEU A 67 2.255 1.282 3.141 1.00 0.00 C ATOM 0 H LEU A 67 2.038 -2.556 5.761 1.00 0.00 H new ATOM 0 HA LEU A 67 0.998 0.056 6.684 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.154 -1.340 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.296 0.164 4.246 1.00 0.00 H new ATOM 0 HG LEU A 67 2.638 0.900 5.259 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.550 0.118 3.911 1.00 0.00 H new ATOM 0 HD12 LEU A 67 3.860 -1.165 4.933 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.511 -1.134 3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.174 1.841 2.964 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.012 0.692 2.257 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.442 1.978 3.347 1.00 0.00 H new ATOM 1074 N HIS A 68 -1.499 -0.547 6.156 1.00 0.00 N ATOM 1075 CA HIS A 68 -2.918 -0.878 6.276 1.00 0.00 C ATOM 1076 C HIS A 68 -3.614 -0.544 4.952 1.00 0.00 C ATOM 1077 O HIS A 68 -3.181 0.345 4.216 1.00 0.00 O ATOM 1078 CB HIS A 68 -3.571 -0.065 7.407 1.00 0.00 C ATOM 1079 CG HIS A 68 -3.461 -0.689 8.772 1.00 0.00 C ATOM 1080 ND1 HIS A 68 -2.392 -0.591 9.631 1.00 0.00 N ATOM 1081 CD2 HIS A 68 -4.443 -1.400 9.411 1.00 0.00 C ATOM 1082 CE1 HIS A 68 -2.727 -1.224 10.765 1.00 0.00 C ATOM 1083 NE2 HIS A 68 -3.959 -1.751 10.675 1.00 0.00 N ATOM 0 H HIS A 68 -1.345 0.445 5.976 1.00 0.00 H new ATOM 0 HA HIS A 68 -3.018 -1.939 6.506 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -3.114 0.924 7.436 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -4.626 0.078 7.171 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -5.416 -1.645 9.010 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -2.091 -1.300 11.634 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -4.444 -2.298 11.386 1.00 0.00 H new ATOM 1091 N LEU A 69 -4.710 -1.246 4.660 1.00 0.00 N ATOM 1092 CA LEU A 69 -5.541 -1.080 3.470 1.00 0.00 C ATOM 1093 C LEU A 69 -6.962 -0.788 3.962 1.00 0.00 C ATOM 1094 O LEU A 69 -7.488 -1.532 4.800 1.00 0.00 O ATOM 1095 CB LEU A 69 -5.448 -2.331 2.582 1.00 0.00 C ATOM 1096 CG LEU A 69 -4.216 -2.327 1.654 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -3.961 -3.724 1.077 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -4.355 -1.355 0.476 1.00 0.00 C ATOM 0 H LEU A 69 -5.057 -1.980 5.277 1.00 0.00 H new ATOM 0 HA LEU A 69 -5.206 -0.253 2.844 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.414 -3.217 3.216 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.351 -2.407 1.976 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.383 -2.004 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.087 -3.695 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.784 -4.427 1.891 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.830 -4.045 0.503 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.456 -1.398 -0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.221 -1.633 -0.125 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.487 -0.341 0.854 1.00 0.00 H new ATOM 1110 N VAL A 70 -7.575 0.302 3.498 1.00 0.00 N ATOM 1111 CA VAL A 70 -8.923 0.728 3.889 1.00 0.00 C ATOM 1112 C VAL A 70 -9.719 1.242 2.682 1.00 0.00 C ATOM 1113 O VAL A 70 -9.196 1.311 1.572 1.00 0.00 O ATOM 1114 CB VAL A 70 -8.826 1.819 4.989 1.00 0.00 C ATOM 1115 CG1 VAL A 70 -7.960 1.413 6.192 1.00 0.00 C ATOM 1116 CG2 VAL A 70 -8.296 3.160 4.457 1.00 0.00 C ATOM 0 H VAL A 70 -7.138 0.930 2.823 1.00 0.00 H new ATOM 0 HA VAL A 70 -9.457 -0.135 4.287 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.858 1.934 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.941 2.226 6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -8.379 0.521 6.658 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.945 1.203 5.855 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.251 3.882 5.272 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -7.298 3.018 4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -8.963 3.532 3.679 1.00 0.00 H new ATOM 1126 N LEU A 71 -11.010 1.520 2.868 1.00 0.00 N ATOM 1127 CA LEU A 71 -11.910 2.072 1.854 1.00 0.00 C ATOM 1128 C LEU A 71 -12.861 3.054 2.546 1.00 0.00 C ATOM 1129 O LEU A 71 -12.700 3.337 3.736 1.00 0.00 O ATOM 1130 CB LEU A 71 -12.672 0.947 1.133 1.00 0.00 C ATOM 1131 CG LEU A 71 -13.763 0.259 1.988 1.00 0.00 C ATOM 1132 CD1 LEU A 71 -15.146 0.387 1.347 1.00 0.00 C ATOM 1133 CD2 LEU A 71 -13.436 -1.214 2.193 1.00 0.00 C ATOM 0 H LEU A 71 -11.475 1.361 3.762 1.00 0.00 H new ATOM 0 HA LEU A 71 -11.342 2.602 1.089 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.136 1.357 0.236 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -11.956 0.193 0.805 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.781 0.765 2.953 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -15.886 -0.108 1.976 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -15.404 1.441 1.245 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -15.135 -0.081 0.363 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -14.215 -1.679 2.797 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.380 -1.712 1.225 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -12.478 -1.306 2.704 1.00 0.00 H new ATOM 1145 N ARG A 72 -13.890 3.543 1.854 1.00 0.00 N ATOM 1146 CA ARG A 72 -14.883 4.446 2.423 1.00 0.00 C ATOM 1147 C ARG A 72 -16.154 4.168 1.636 1.00 0.00 C ATOM 1148 O ARG A 72 -16.108 4.218 0.406 1.00 0.00 O ATOM 1149 CB ARG A 72 -14.401 5.907 2.319 1.00 0.00 C ATOM 1150 CG ARG A 72 -14.789 6.742 3.546 1.00 0.00 C ATOM 1151 CD ARG A 72 -13.967 6.371 4.788 1.00 0.00 C ATOM 1152 NE ARG A 72 -14.640 6.802 6.016 1.00 0.00 N ATOM 1153 CZ ARG A 72 -14.538 6.245 7.225 1.00 0.00 C ATOM 1154 NH1 ARG A 72 -13.639 5.303 7.479 1.00 0.00 N ATOM 1155 NH2 ARG A 72 -15.348 6.646 8.190 1.00 0.00 N ATOM 0 H ARG A 72 -14.057 3.319 0.873 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.055 4.287 3.488 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -13.317 5.921 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.825 6.363 1.424 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -14.648 7.799 3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -15.849 6.600 3.759 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.810 5.293 4.815 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -12.982 6.835 4.728 1.00 0.00 H new ATOM 0 HE ARG A 72 -15.252 7.614 5.939 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.007 4.990 6.743 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.580 4.892 8.411 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -16.040 7.372 8.006 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -15.281 6.229 9.118 1.00 0.00 H new ATOM 1169 N LEU A 73 -17.277 3.923 2.303 1.00 0.00 N ATOM 1170 CA LEU A 73 -18.540 3.613 1.637 1.00 0.00 C ATOM 1171 C LEU A 73 -19.685 4.192 2.447 1.00 0.00 C ATOM 1172 O LEU A 73 -19.696 4.050 3.672 1.00 0.00 O ATOM 1173 CB LEU A 73 -18.691 2.074 1.525 1.00 0.00 C ATOM 1174 CG LEU A 73 -18.820 1.579 0.074 1.00 0.00 C ATOM 1175 CD1 LEU A 73 -18.646 0.061 0.007 1.00 0.00 C ATOM 1176 CD2 LEU A 73 -20.186 1.942 -0.515 1.00 0.00 C ATOM 0 H LEU A 73 -17.339 3.933 3.321 1.00 0.00 H new ATOM 0 HA LEU A 73 -18.554 4.048 0.637 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -17.828 1.597 1.989 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -19.570 1.760 2.088 1.00 0.00 H new ATOM 0 HG LEU A 73 -18.037 2.068 -0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -18.740 -0.271 -1.027 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -17.661 -0.209 0.386 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -19.413 -0.420 0.614 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -20.248 1.579 -1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -20.973 1.481 0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -20.311 3.025 -0.505 1.00 0.00 H new ATOM 1188 N ARG A 74 -20.635 4.860 1.791 1.00 0.00 N ATOM 1189 CA ARG A 74 -21.802 5.451 2.447 1.00 0.00 C ATOM 1190 C ARG A 74 -23.042 4.595 2.182 1.00 0.00 C ATOM 1191 O ARG A 74 -24.027 4.727 2.915 1.00 0.00 O ATOM 1192 CB ARG A 74 -21.970 6.928 2.048 1.00 0.00 C ATOM 1193 CG ARG A 74 -20.748 7.822 2.345 1.00 0.00 C ATOM 1194 CD ARG A 74 -20.170 7.648 3.761 1.00 0.00 C ATOM 1195 NE ARG A 74 -21.135 8.013 4.814 1.00 0.00 N ATOM 1196 CZ ARG A 74 -21.304 9.224 5.354 1.00 0.00 C ATOM 1197 NH1 ARG A 74 -20.477 10.222 5.055 1.00 0.00 N ATOM 1198 NH2 ARG A 74 -22.298 9.439 6.202 1.00 0.00 N ATOM 0 H ARG A 74 -20.616 5.007 0.782 1.00 0.00 H new ATOM 0 HA ARG A 74 -21.652 5.456 3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -22.189 6.979 0.981 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -22.836 7.335 2.571 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -19.967 7.605 1.616 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -21.032 8.865 2.206 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -19.861 6.612 3.899 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -19.276 8.263 3.863 1.00 0.00 H new ATOM 0 HE ARG A 74 -21.734 7.266 5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.704 10.067 4.408 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.616 11.142 5.473 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -22.935 8.680 6.444 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -22.426 10.363 6.614 1.00 0.00 H new ATOM 1212 N GLY A 75 -22.988 3.673 1.217 1.00 0.00 N ATOM 1213 CA GLY A 75 -24.074 2.759 0.885 1.00 0.00 C ATOM 1214 C GLY A 75 -24.037 1.533 1.814 1.00 0.00 C ATOM 1215 O GLY A 75 -24.615 0.494 1.498 1.00 0.00 O ATOM 0 H GLY A 75 -22.163 3.542 0.632 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -25.032 3.270 0.982 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -23.987 2.440 -0.154 1.00 0.00 H new ATOM 1219 N GLY A 76 -23.350 1.622 2.951 1.00 0.00 N ATOM 1220 CA GLY A 76 -23.180 0.600 3.958 1.00 0.00 C ATOM 1221 C GLY A 76 -22.082 1.138 4.836 1.00 0.00 C ATOM 1222 O GLY A 76 -22.299 2.221 5.425 1.00 0.00 O ATOM 0 H GLY A 76 -22.863 2.482 3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -24.099 0.437 4.521 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -22.904 -0.357 3.514 1.00 0.00 H new TER 1226 GLY A 76