USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 583 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= -4.64! C(o=-4.6!,f=-17!) USER MOD Set 1.2: A 62 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 8 GLN : amide:sc= -0.497 K(o=-0.69,f=-2.8!) USER MOD Set 2.2: A 76 MET CE :methyl 141:sc= -0.193 (180deg=-0.22) USER MOD Single : A 1 ALA N :NH3+ -140:sc= 0.0325 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.00417 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= -0.135 (180deg=-0.285) USER MOD Single : A 26 CYS SG : rot 63:sc= -1.01! USER MOD Single : A 28 THR OG1 : rot 180:sc= -2.62! USER MOD Single : A 29 THR OG1 : rot -85:sc= -0.679! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 80:sc= 0.99 USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -12:sc= 1.01 USER MOD Single : A 41 GLN : amide:sc= -0.424 X(o=-0.42,f=-0.16) USER MOD Single : A 42 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.21) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.0169 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.896 K(o=-0.9,f=-1.4) USER MOD Single : A 70 ASN : amide:sc=-0.000465 K(o=-0.00047,f=-1.4) USER MOD Single : A 72 MET CE :methyl -158:sc= -0.0775 (180deg=-0.975) USER MOD Single : A 75 LYS NZ :NH3+ 140:sc= -5.35! (180deg=-9.38!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 10:sc= 0.3 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -19.930 -4.002 -7.442 1.00 0.00 N ATOM 2 CA ALA A 1 -19.333 -2.674 -7.762 1.00 0.00 C ATOM 3 C ALA A 1 -19.039 -2.603 -9.255 1.00 0.00 C ATOM 4 O ALA A 1 -19.801 -3.114 -10.076 1.00 0.00 O ATOM 5 CB ALA A 1 -18.038 -2.491 -6.967 1.00 0.00 C ATOM 0 H1 ALA A 1 -20.694 -3.881 -6.747 1.00 0.00 H new ATOM 0 H2 ALA A 1 -20.316 -4.427 -8.309 1.00 0.00 H new ATOM 0 H3 ALA A 1 -19.198 -4.626 -7.047 1.00 0.00 H new ATOM 0 HA ALA A 1 -20.031 -1.882 -7.493 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -17.602 -1.520 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -18.255 -2.543 -5.900 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -17.333 -3.279 -7.233 1.00 0.00 H new ATOM 13 N ASP A 2 -17.924 -1.973 -9.598 1.00 0.00 N ATOM 14 CA ASP A 2 -17.532 -1.849 -10.991 1.00 0.00 C ATOM 15 C ASP A 2 -17.222 -3.220 -11.579 1.00 0.00 C ATOM 16 O ASP A 2 -17.466 -3.460 -12.759 1.00 0.00 O ATOM 17 CB ASP A 2 -16.307 -0.938 -11.111 1.00 0.00 C ATOM 18 CG ASP A 2 -15.169 -1.482 -10.257 1.00 0.00 C ATOM 19 OD1 ASP A 2 -15.429 -2.359 -9.452 1.00 0.00 O ATOM 20 OD2 ASP A 2 -14.055 -1.010 -10.416 1.00 0.00 O ATOM 0 H ASP A 2 -17.280 -1.543 -8.934 1.00 0.00 H new ATOM 0 HA ASP A 2 -18.359 -1.409 -11.549 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -15.992 -0.873 -12.153 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -16.562 0.072 -10.791 1.00 0.00 H new ATOM 25 N GLN A 3 -16.671 -4.117 -10.751 1.00 0.00 N ATOM 26 CA GLN A 3 -16.327 -5.461 -11.212 1.00 0.00 C ATOM 27 C GLN A 3 -15.607 -6.252 -10.119 1.00 0.00 C ATOM 28 O GLN A 3 -15.161 -7.376 -10.354 1.00 0.00 O ATOM 29 CB GLN A 3 -15.413 -5.370 -12.445 1.00 0.00 C ATOM 30 CG GLN A 3 -14.405 -4.218 -12.253 1.00 0.00 C ATOM 31 CD GLN A 3 -13.149 -4.474 -13.072 1.00 0.00 C ATOM 32 OE1 GLN A 3 -12.196 -5.070 -12.575 1.00 0.00 O ATOM 33 NE2 GLN A 3 -13.095 -4.062 -14.307 1.00 0.00 N ATOM 0 H GLN A 3 -16.457 -3.936 -9.770 1.00 0.00 H new ATOM 0 HA GLN A 3 -17.253 -5.976 -11.467 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -14.883 -6.311 -12.588 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -16.009 -5.200 -13.341 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -14.859 -3.274 -12.556 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -14.147 -4.124 -11.198 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -13.889 -3.568 -14.715 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -12.259 -4.234 -14.866 1.00 0.00 H new ATOM 42 N LEU A 4 -15.480 -5.665 -8.934 1.00 0.00 N ATOM 43 CA LEU A 4 -14.789 -6.321 -7.813 1.00 0.00 C ATOM 44 C LEU A 4 -15.764 -6.604 -6.672 1.00 0.00 C ATOM 45 O LEU A 4 -16.841 -6.012 -6.607 1.00 0.00 O ATOM 46 CB LEU A 4 -13.652 -5.419 -7.318 1.00 0.00 C ATOM 47 CG LEU A 4 -12.582 -5.279 -8.413 1.00 0.00 C ATOM 48 CD1 LEU A 4 -11.619 -4.146 -8.045 1.00 0.00 C ATOM 49 CD2 LEU A 4 -11.788 -6.589 -8.569 1.00 0.00 C ATOM 0 H LEU A 4 -15.844 -4.737 -8.718 1.00 0.00 H new ATOM 0 HA LEU A 4 -14.379 -7.270 -8.157 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -14.044 -4.437 -7.053 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -13.209 -5.840 -6.416 1.00 0.00 H new ATOM 0 HG LEU A 4 -13.079 -5.055 -9.357 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -10.860 -4.047 -8.821 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -12.173 -3.211 -7.958 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -11.137 -4.372 -7.094 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -11.036 -6.468 -9.349 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -11.297 -6.831 -7.626 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -12.468 -7.396 -8.842 1.00 0.00 H new ATOM 61 N THR A 5 -15.389 -7.524 -5.780 1.00 0.00 N ATOM 62 CA THR A 5 -16.248 -7.891 -4.648 1.00 0.00 C ATOM 63 C THR A 5 -15.904 -7.079 -3.406 1.00 0.00 C ATOM 64 O THR A 5 -14.893 -6.381 -3.360 1.00 0.00 O ATOM 65 CB THR A 5 -16.087 -9.377 -4.314 1.00 0.00 C ATOM 66 OG1 THR A 5 -14.756 -9.625 -3.884 1.00 0.00 O ATOM 67 CG2 THR A 5 -16.395 -10.226 -5.545 1.00 0.00 C ATOM 0 H THR A 5 -14.502 -8.027 -5.817 1.00 0.00 H new ATOM 0 HA THR A 5 -17.276 -7.681 -4.942 1.00 0.00 H new ATOM 0 HB THR A 5 -16.782 -9.641 -3.517 1.00 0.00 H new ATOM 0 HG1 THR A 5 -14.654 -10.576 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 5 -16.278 -11.281 -5.298 1.00 0.00 H new ATOM 0 HG22 THR A 5 -17.419 -10.040 -5.868 1.00 0.00 H new ATOM 0 HG23 THR A 5 -15.708 -9.963 -6.349 1.00 0.00 H new ATOM 75 N ASP A 6 -16.746 -7.211 -2.387 1.00 0.00 N ATOM 76 CA ASP A 6 -16.525 -6.528 -1.121 1.00 0.00 C ATOM 77 C ASP A 6 -15.395 -7.209 -0.369 1.00 0.00 C ATOM 78 O ASP A 6 -14.684 -6.586 0.422 1.00 0.00 O ATOM 79 CB ASP A 6 -17.793 -6.575 -0.271 1.00 0.00 C ATOM 80 CG ASP A 6 -18.293 -8.008 -0.167 1.00 0.00 C ATOM 81 OD1 ASP A 6 -17.750 -8.852 -0.858 1.00 0.00 O ATOM 82 OD2 ASP A 6 -19.215 -8.243 0.596 1.00 0.00 O ATOM 0 H ASP A 6 -17.588 -7.786 -2.415 1.00 0.00 H new ATOM 0 HA ASP A 6 -16.264 -5.489 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -17.590 -6.178 0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -18.563 -5.943 -0.715 1.00 0.00 H new ATOM 87 N GLU A 7 -15.254 -8.504 -0.618 1.00 0.00 N ATOM 88 CA GLU A 7 -14.228 -9.296 0.039 1.00 0.00 C ATOM 89 C GLU A 7 -12.838 -8.775 -0.296 1.00 0.00 C ATOM 90 O GLU A 7 -11.993 -8.620 0.587 1.00 0.00 O ATOM 91 CB GLU A 7 -14.339 -10.756 -0.411 1.00 0.00 C ATOM 92 CG GLU A 7 -15.667 -11.344 0.062 1.00 0.00 C ATOM 93 CD GLU A 7 -15.692 -11.422 1.584 1.00 0.00 C ATOM 94 OE1 GLU A 7 -14.623 -11.415 2.172 1.00 0.00 O ATOM 95 OE2 GLU A 7 -16.776 -11.477 2.138 1.00 0.00 O ATOM 0 H GLU A 7 -15.838 -9.027 -1.271 1.00 0.00 H new ATOM 0 HA GLU A 7 -14.378 -9.223 1.116 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -14.270 -10.818 -1.497 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -13.509 -11.335 -0.005 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -16.493 -10.728 -0.292 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.806 -12.338 -0.363 1.00 0.00 H new ATOM 102 N GLN A 8 -12.607 -8.504 -1.575 1.00 0.00 N ATOM 103 CA GLN A 8 -11.314 -7.997 -2.004 1.00 0.00 C ATOM 104 C GLN A 8 -11.097 -6.612 -1.421 1.00 0.00 C ATOM 105 O GLN A 8 -9.974 -6.197 -1.190 1.00 0.00 O ATOM 106 CB GLN A 8 -11.242 -7.947 -3.536 1.00 0.00 C ATOM 107 CG GLN A 8 -9.891 -7.389 -3.982 1.00 0.00 C ATOM 108 CD GLN A 8 -9.736 -7.519 -5.497 1.00 0.00 C ATOM 109 OE1 GLN A 8 -10.339 -8.397 -6.115 1.00 0.00 O ATOM 110 NE2 GLN A 8 -8.961 -6.684 -6.137 1.00 0.00 N ATOM 0 H GLN A 8 -13.290 -8.625 -2.323 1.00 0.00 H new ATOM 0 HA GLN A 8 -10.530 -8.665 -1.646 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -11.385 -8.946 -3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.047 -7.324 -3.925 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -9.808 -6.342 -3.690 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -9.085 -7.925 -3.480 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -8.462 -5.957 -5.625 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.855 -6.759 -7.149 1.00 0.00 H new ATOM 119 N ILE A 9 -12.189 -5.917 -1.150 1.00 0.00 N ATOM 120 CA ILE A 9 -12.104 -4.587 -0.565 1.00 0.00 C ATOM 121 C ILE A 9 -11.878 -4.690 0.938 1.00 0.00 C ATOM 122 O ILE A 9 -10.935 -4.112 1.479 1.00 0.00 O ATOM 123 CB ILE A 9 -13.381 -3.806 -0.862 1.00 0.00 C ATOM 124 CG1 ILE A 9 -13.447 -3.530 -2.365 1.00 0.00 C ATOM 125 CG2 ILE A 9 -13.362 -2.479 -0.098 1.00 0.00 C ATOM 126 CD1 ILE A 9 -14.817 -2.958 -2.726 1.00 0.00 C ATOM 0 H ILE A 9 -13.138 -6.247 -1.324 1.00 0.00 H new ATOM 0 HA ILE A 9 -11.260 -4.056 -1.006 1.00 0.00 H new ATOM 0 HB ILE A 9 -14.251 -4.384 -0.550 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -12.663 -2.828 -2.650 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -13.269 -4.450 -2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -14.275 -1.923 -0.312 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -13.299 -2.676 0.972 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -12.498 -1.892 -0.410 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.859 -2.763 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -15.593 -3.675 -2.457 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.978 -2.028 -2.181 1.00 0.00 H new ATOM 138 N SER A 10 -12.753 -5.417 1.611 1.00 0.00 N ATOM 139 CA SER A 10 -12.634 -5.567 3.051 1.00 0.00 C ATOM 140 C SER A 10 -11.269 -6.159 3.398 1.00 0.00 C ATOM 141 O SER A 10 -10.600 -5.695 4.323 1.00 0.00 O ATOM 142 CB SER A 10 -13.741 -6.475 3.573 1.00 0.00 C ATOM 143 OG SER A 10 -13.433 -6.880 4.900 1.00 0.00 O ATOM 0 H SER A 10 -13.543 -5.907 1.191 1.00 0.00 H new ATOM 0 HA SER A 10 -12.729 -4.588 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 10 -14.696 -5.950 3.554 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.844 -7.348 2.929 1.00 0.00 H new ATOM 0 HG SER A 10 -14.145 -7.463 5.238 1.00 0.00 H new ATOM 149 N GLU A 11 -10.849 -7.177 2.645 1.00 0.00 N ATOM 150 CA GLU A 11 -9.552 -7.801 2.890 1.00 0.00 C ATOM 151 C GLU A 11 -8.440 -6.787 2.634 1.00 0.00 C ATOM 152 O GLU A 11 -7.472 -6.708 3.389 1.00 0.00 O ATOM 153 CB GLU A 11 -9.373 -9.017 1.970 1.00 0.00 C ATOM 154 CG GLU A 11 -8.119 -9.807 2.369 1.00 0.00 C ATOM 155 CD GLU A 11 -8.348 -10.517 3.701 1.00 0.00 C ATOM 156 OE1 GLU A 11 -9.471 -10.490 4.177 1.00 0.00 O ATOM 157 OE2 GLU A 11 -7.398 -11.081 4.221 1.00 0.00 O ATOM 0 H GLU A 11 -11.380 -7.580 1.873 1.00 0.00 H new ATOM 0 HA GLU A 11 -9.504 -8.133 3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.251 -9.660 2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -9.290 -8.689 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.878 -10.537 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -7.266 -9.134 2.449 1.00 0.00 H new ATOM 164 N PHE A 12 -8.607 -5.991 1.580 1.00 0.00 N ATOM 165 CA PHE A 12 -7.637 -4.957 1.242 1.00 0.00 C ATOM 166 C PHE A 12 -7.541 -3.957 2.392 1.00 0.00 C ATOM 167 O PHE A 12 -6.455 -3.580 2.830 1.00 0.00 O ATOM 168 CB PHE A 12 -8.115 -4.240 -0.047 1.00 0.00 C ATOM 169 CG PHE A 12 -7.550 -4.935 -1.275 1.00 0.00 C ATOM 170 CD1 PHE A 12 -7.445 -6.332 -1.295 1.00 0.00 C ATOM 171 CD2 PHE A 12 -7.135 -4.188 -2.394 1.00 0.00 C ATOM 172 CE1 PHE A 12 -6.930 -6.979 -2.413 1.00 0.00 C ATOM 173 CE2 PHE A 12 -6.622 -4.844 -3.515 1.00 0.00 C ATOM 174 CZ PHE A 12 -6.518 -6.239 -3.526 1.00 0.00 C ATOM 0 H PHE A 12 -9.405 -6.044 0.947 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.654 -5.397 1.076 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -9.204 -4.240 -0.089 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.797 -3.198 -0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -7.765 -6.908 -0.439 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.213 -3.111 -2.385 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -6.848 -8.056 -2.422 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.305 -4.273 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.120 -6.744 -4.393 1.00 0.00 H new ATOM 184 N LYS A 13 -8.706 -3.533 2.857 1.00 0.00 N ATOM 185 CA LYS A 13 -8.814 -2.564 3.937 1.00 0.00 C ATOM 186 C LYS A 13 -8.214 -3.094 5.238 1.00 0.00 C ATOM 187 O LYS A 13 -7.486 -2.379 5.929 1.00 0.00 O ATOM 188 CB LYS A 13 -10.300 -2.242 4.141 1.00 0.00 C ATOM 189 CG LYS A 13 -10.472 -0.885 4.826 1.00 0.00 C ATOM 190 CD LYS A 13 -11.964 -0.545 4.877 1.00 0.00 C ATOM 191 CE LYS A 13 -12.157 0.871 5.420 1.00 0.00 C ATOM 192 NZ LYS A 13 -13.567 1.037 5.878 1.00 0.00 N ATOM 0 H LYS A 13 -9.605 -3.852 2.496 1.00 0.00 H new ATOM 0 HA LYS A 13 -8.255 -1.668 3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.811 -2.236 3.178 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -10.766 -3.021 4.744 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -10.057 -0.915 5.833 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -9.928 -0.115 4.280 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -12.398 -0.624 3.880 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.488 -1.261 5.510 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.470 1.052 6.247 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -11.925 1.604 4.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -13.701 2.000 6.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.213 0.881 5.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -13.772 0.346 6.628 1.00 0.00 H new ATOM 206 N GLU A 14 -8.512 -4.346 5.574 1.00 0.00 N ATOM 207 CA GLU A 14 -7.976 -4.934 6.797 1.00 0.00 C ATOM 208 C GLU A 14 -6.454 -4.950 6.720 1.00 0.00 C ATOM 209 O GLU A 14 -5.762 -4.659 7.698 1.00 0.00 O ATOM 210 CB GLU A 14 -8.502 -6.366 6.958 1.00 0.00 C ATOM 211 CG GLU A 14 -8.030 -6.954 8.293 1.00 0.00 C ATOM 212 CD GLU A 14 -8.550 -8.381 8.442 1.00 0.00 C ATOM 213 OE1 GLU A 14 -9.750 -8.569 8.324 1.00 0.00 O ATOM 214 OE2 GLU A 14 -7.741 -9.268 8.671 1.00 0.00 O ATOM 0 H GLU A 14 -9.111 -4.964 5.027 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.292 -4.341 7.656 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.591 -6.369 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -8.149 -6.986 6.134 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -6.941 -6.947 8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -8.388 -6.339 9.119 1.00 0.00 H new ATOM 221 N ALA A 15 -5.948 -5.273 5.535 1.00 0.00 N ATOM 222 CA ALA A 15 -4.510 -5.316 5.304 1.00 0.00 C ATOM 223 C ALA A 15 -3.897 -3.944 5.540 1.00 0.00 C ATOM 224 O ALA A 15 -2.820 -3.821 6.103 1.00 0.00 O ATOM 225 CB ALA A 15 -4.237 -5.740 3.856 1.00 0.00 C ATOM 0 H ALA A 15 -6.513 -5.509 4.719 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.066 -6.033 5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.161 -5.772 3.683 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.663 -6.728 3.680 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.693 -5.022 3.174 1.00 0.00 H new ATOM 231 N PHE A 16 -4.571 -2.912 5.069 1.00 0.00 N ATOM 232 CA PHE A 16 -4.077 -1.551 5.206 1.00 0.00 C ATOM 233 C PHE A 16 -4.072 -1.045 6.659 1.00 0.00 C ATOM 234 O PHE A 16 -3.072 -0.494 7.111 1.00 0.00 O ATOM 235 CB PHE A 16 -4.936 -0.656 4.333 1.00 0.00 C ATOM 236 CG PHE A 16 -4.515 0.778 4.503 1.00 0.00 C ATOM 237 CD1 PHE A 16 -3.438 1.279 3.768 1.00 0.00 C ATOM 238 CD2 PHE A 16 -5.203 1.605 5.391 1.00 0.00 C ATOM 239 CE1 PHE A 16 -3.044 2.607 3.921 1.00 0.00 C ATOM 240 CE2 PHE A 16 -4.809 2.937 5.549 1.00 0.00 C ATOM 241 CZ PHE A 16 -3.726 3.439 4.814 1.00 0.00 C ATOM 0 H PHE A 16 -5.466 -2.989 4.586 1.00 0.00 H new ATOM 0 HA PHE A 16 -3.034 -1.531 4.889 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.840 -0.951 3.288 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -5.986 -0.770 4.601 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -2.910 0.636 3.080 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -6.038 1.217 5.955 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -2.212 2.993 3.350 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -5.339 3.579 6.237 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.419 4.467 4.937 1.00 0.00 H new ATOM 251 N SER A 17 -5.168 -1.237 7.399 1.00 0.00 N ATOM 252 CA SER A 17 -5.202 -0.781 8.793 1.00 0.00 C ATOM 253 C SER A 17 -4.102 -1.488 9.557 1.00 0.00 C ATOM 254 O SER A 17 -3.450 -0.915 10.431 1.00 0.00 O ATOM 255 CB SER A 17 -6.557 -1.076 9.448 1.00 0.00 C ATOM 256 OG SER A 17 -6.550 -0.584 10.786 1.00 0.00 O ATOM 0 H SER A 17 -6.020 -1.691 7.070 1.00 0.00 H new ATOM 0 HA SER A 17 -5.053 0.299 8.814 1.00 0.00 H new ATOM 0 HB2 SER A 17 -7.359 -0.605 8.879 1.00 0.00 H new ATOM 0 HB3 SER A 17 -6.750 -2.149 9.444 1.00 0.00 H new ATOM 0 HG SER A 17 -7.415 -0.769 11.207 1.00 0.00 H new ATOM 262 N LEU A 18 -3.891 -2.738 9.187 1.00 0.00 N ATOM 263 CA LEU A 18 -2.858 -3.562 9.779 1.00 0.00 C ATOM 264 C LEU A 18 -1.489 -2.936 9.507 1.00 0.00 C ATOM 265 O LEU A 18 -0.628 -2.893 10.382 1.00 0.00 O ATOM 266 CB LEU A 18 -2.988 -4.948 9.129 1.00 0.00 C ATOM 267 CG LEU A 18 -1.859 -5.906 9.508 1.00 0.00 C ATOM 268 CD1 LEU A 18 -1.958 -6.281 10.986 1.00 0.00 C ATOM 269 CD2 LEU A 18 -2.009 -7.166 8.647 1.00 0.00 C ATOM 0 H LEU A 18 -4.434 -3.210 8.464 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.962 -3.644 10.861 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.941 -5.389 9.420 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.008 -4.832 8.045 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.892 -5.433 9.339 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -1.148 -6.964 11.243 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.881 -5.381 11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -2.916 -6.766 11.175 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.216 -7.872 8.894 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.978 -7.626 8.841 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.940 -6.897 7.593 1.00 0.00 H new ATOM 281 N PHE A 19 -1.301 -2.450 8.283 1.00 0.00 N ATOM 282 CA PHE A 19 -0.032 -1.832 7.893 1.00 0.00 C ATOM 283 C PHE A 19 0.230 -0.583 8.733 1.00 0.00 C ATOM 284 O PHE A 19 1.374 -0.166 8.900 1.00 0.00 O ATOM 285 CB PHE A 19 -0.043 -1.452 6.402 1.00 0.00 C ATOM 286 CG PHE A 19 0.111 -2.681 5.510 1.00 0.00 C ATOM 287 CD1 PHE A 19 -0.217 -3.976 5.970 1.00 0.00 C ATOM 288 CD2 PHE A 19 0.577 -2.518 4.196 1.00 0.00 C ATOM 289 CE1 PHE A 19 -0.082 -5.074 5.125 1.00 0.00 C ATOM 290 CE2 PHE A 19 0.712 -3.631 3.356 1.00 0.00 C ATOM 291 CZ PHE A 19 0.380 -4.909 3.823 1.00 0.00 C ATOM 0 H PHE A 19 -2.006 -2.471 7.546 1.00 0.00 H new ATOM 0 HA PHE A 19 0.762 -2.558 8.066 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -0.976 -0.942 6.162 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.766 -0.750 6.198 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.573 -4.114 6.980 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.832 -1.534 3.832 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.338 -6.061 5.482 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.073 -3.503 2.346 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.482 -5.766 3.173 1.00 0.00 H new ATOM 301 N ASP A 20 -0.839 0.025 9.246 1.00 0.00 N ATOM 302 CA ASP A 20 -0.701 1.240 10.045 1.00 0.00 C ATOM 303 C ASP A 20 -0.364 0.913 11.504 1.00 0.00 C ATOM 304 O ASP A 20 -1.257 0.661 12.313 1.00 0.00 O ATOM 305 CB ASP A 20 -2.006 2.036 9.988 1.00 0.00 C ATOM 306 CG ASP A 20 -1.783 3.444 10.529 1.00 0.00 C ATOM 307 OD1 ASP A 20 -0.710 3.691 11.053 1.00 0.00 O ATOM 308 OD2 ASP A 20 -2.688 4.257 10.409 1.00 0.00 O ATOM 0 H ASP A 20 -1.798 -0.299 9.124 1.00 0.00 H new ATOM 0 HA ASP A 20 0.117 1.830 9.632 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.367 2.085 8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.775 1.531 10.572 1.00 0.00 H new ATOM 313 N LYS A 21 0.928 0.917 11.831 1.00 0.00 N ATOM 314 CA LYS A 21 1.368 0.614 13.194 1.00 0.00 C ATOM 315 C LYS A 21 0.771 1.600 14.195 1.00 0.00 C ATOM 316 O LYS A 21 0.509 1.244 15.340 1.00 0.00 O ATOM 317 CB LYS A 21 2.908 0.662 13.289 1.00 0.00 C ATOM 318 CG LYS A 21 3.513 -0.669 12.836 1.00 0.00 C ATOM 319 CD LYS A 21 3.211 -0.895 11.356 1.00 0.00 C ATOM 320 CE LYS A 21 3.965 -2.130 10.865 1.00 0.00 C ATOM 321 NZ LYS A 21 3.656 -2.364 9.425 1.00 0.00 N ATOM 0 H LYS A 21 1.683 1.125 11.178 1.00 0.00 H new ATOM 0 HA LYS A 21 1.020 -0.390 13.437 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.292 1.473 12.669 1.00 0.00 H new ATOM 0 HB3 LYS A 21 3.209 0.875 14.315 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.591 -0.664 13.001 1.00 0.00 H new ATOM 0 HG3 LYS A 21 3.103 -1.486 13.430 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.139 -1.028 11.209 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.507 -0.021 10.776 1.00 0.00 H new ATOM 0 HE2 LYS A 21 5.038 -1.991 10.999 1.00 0.00 H new ATOM 0 HE3 LYS A 21 3.680 -3.001 11.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.744 -3.378 9.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.685 -2.051 9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.323 -1.826 8.835 1.00 0.00 H new ATOM 335 N ASP A 22 0.581 2.845 13.769 1.00 0.00 N ATOM 336 CA ASP A 22 0.035 3.875 14.655 1.00 0.00 C ATOM 337 C ASP A 22 -1.467 4.047 14.439 1.00 0.00 C ATOM 338 O ASP A 22 -2.114 4.832 15.132 1.00 0.00 O ATOM 339 CB ASP A 22 0.743 5.201 14.388 1.00 0.00 C ATOM 340 CG ASP A 22 2.250 5.022 14.535 1.00 0.00 C ATOM 341 OD1 ASP A 22 2.670 4.508 15.559 1.00 0.00 O ATOM 342 OD2 ASP A 22 2.963 5.395 13.617 1.00 0.00 O ATOM 0 H ASP A 22 0.794 3.166 12.825 1.00 0.00 H new ATOM 0 HA ASP A 22 0.199 3.564 15.687 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.506 5.554 13.385 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.388 5.960 15.085 1.00 0.00 H new ATOM 347 N GLY A 23 -2.017 3.314 13.476 1.00 0.00 N ATOM 348 CA GLY A 23 -3.447 3.403 13.187 1.00 0.00 C ATOM 349 C GLY A 23 -3.875 4.857 13.015 1.00 0.00 C ATOM 350 O GLY A 23 -4.966 5.244 13.426 1.00 0.00 O ATOM 0 H GLY A 23 -1.503 2.658 12.888 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -3.675 2.842 12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.015 2.945 13.996 1.00 0.00 H new ATOM 354 N ASP A 24 -2.999 5.663 12.414 1.00 0.00 N ATOM 355 CA ASP A 24 -3.285 7.086 12.201 1.00 0.00 C ATOM 356 C ASP A 24 -3.852 7.329 10.807 1.00 0.00 C ATOM 357 O ASP A 24 -3.883 8.463 10.331 1.00 0.00 O ATOM 358 CB ASP A 24 -2.012 7.912 12.384 1.00 0.00 C ATOM 359 CG ASP A 24 -0.895 7.371 11.500 1.00 0.00 C ATOM 360 OD1 ASP A 24 -1.097 6.335 10.888 1.00 0.00 O ATOM 361 OD2 ASP A 24 0.150 8.000 11.447 1.00 0.00 O ATOM 0 H ASP A 24 -2.089 5.359 12.067 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.028 7.392 12.937 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.209 8.955 12.135 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.702 7.887 13.429 1.00 0.00 H new ATOM 366 N GLY A 25 -4.298 6.263 10.158 1.00 0.00 N ATOM 367 CA GLY A 25 -4.862 6.383 8.820 1.00 0.00 C ATOM 368 C GLY A 25 -3.787 6.731 7.800 1.00 0.00 C ATOM 369 O GLY A 25 -4.085 7.264 6.732 1.00 0.00 O ATOM 0 H GLY A 25 -4.281 5.314 10.531 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -5.343 5.446 8.540 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.634 7.152 8.815 1.00 0.00 H new ATOM 373 N CYS A 26 -2.530 6.429 8.128 1.00 0.00 N ATOM 374 CA CYS A 26 -1.423 6.718 7.216 1.00 0.00 C ATOM 375 C CYS A 26 -0.287 5.713 7.390 1.00 0.00 C ATOM 376 O CYS A 26 0.069 5.351 8.509 1.00 0.00 O ATOM 377 CB CYS A 26 -0.882 8.136 7.461 1.00 0.00 C ATOM 378 SG CYS A 26 -2.252 9.252 7.854 1.00 0.00 S ATOM 0 H CYS A 26 -2.255 5.990 9.007 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.808 6.643 6.199 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.163 8.125 8.280 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -0.353 8.492 6.577 1.00 0.00 H new ATOM 0 HG CYS A 26 -2.818 8.871 8.961 1.00 0.00 H new ATOM 384 N ILE A 27 0.297 5.289 6.271 1.00 0.00 N ATOM 385 CA ILE A 27 1.421 4.352 6.298 1.00 0.00 C ATOM 386 C ILE A 27 2.662 5.122 5.900 1.00 0.00 C ATOM 387 O ILE A 27 2.734 5.645 4.785 1.00 0.00 O ATOM 388 CB ILE A 27 1.207 3.200 5.286 1.00 0.00 C ATOM 389 CG1 ILE A 27 -0.268 2.798 5.257 1.00 0.00 C ATOM 390 CG2 ILE A 27 2.048 1.976 5.681 1.00 0.00 C ATOM 391 CD1 ILE A 27 -0.698 2.227 6.606 1.00 0.00 C ATOM 0 H ILE A 27 0.012 5.578 5.335 1.00 0.00 H new ATOM 0 HA ILE A 27 1.513 3.920 7.295 1.00 0.00 H new ATOM 0 HB ILE A 27 1.516 3.549 4.300 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -0.882 3.665 5.011 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.433 2.058 4.474 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.886 1.175 4.960 1.00 0.00 H new ATOM 0 HG22 ILE A 27 3.104 2.248 5.691 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.752 1.636 6.673 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.751 1.947 6.564 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -0.098 1.347 6.837 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.553 2.979 7.382 1.00 0.00 H new ATOM 403 N THR A 28 3.640 5.193 6.785 1.00 0.00 N ATOM 404 CA THR A 28 4.862 5.898 6.456 1.00 0.00 C ATOM 405 C THR A 28 5.709 4.985 5.574 1.00 0.00 C ATOM 406 O THR A 28 5.187 4.031 4.995 1.00 0.00 O ATOM 407 CB THR A 28 5.608 6.315 7.734 1.00 0.00 C ATOM 408 OG1 THR A 28 5.558 5.259 8.680 1.00 0.00 O ATOM 409 CG2 THR A 28 4.943 7.567 8.332 1.00 0.00 C ATOM 0 H THR A 28 3.613 4.780 7.717 1.00 0.00 H new ATOM 0 HA THR A 28 4.640 6.817 5.913 1.00 0.00 H new ATOM 0 HB THR A 28 6.647 6.535 7.489 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.035 5.526 9.493 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.472 7.862 9.238 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.982 8.381 7.608 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.904 7.346 8.575 1.00 0.00 H new ATOM 417 N THR A 29 6.995 5.271 5.441 1.00 0.00 N ATOM 418 CA THR A 29 7.856 4.445 4.596 1.00 0.00 C ATOM 419 C THR A 29 8.371 3.232 5.366 1.00 0.00 C ATOM 420 O THR A 29 8.111 2.097 4.985 1.00 0.00 O ATOM 421 CB THR A 29 9.039 5.279 4.094 1.00 0.00 C ATOM 422 OG1 THR A 29 10.084 5.242 5.057 1.00 0.00 O ATOM 423 CG2 THR A 29 8.585 6.728 3.890 1.00 0.00 C ATOM 0 H THR A 29 7.463 6.054 5.897 1.00 0.00 H new ATOM 0 HA THR A 29 7.271 4.091 3.747 1.00 0.00 H new ATOM 0 HB THR A 29 9.400 4.872 3.149 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.929 5.933 5.735 1.00 0.00 H new ATOM 0 HG21 THR A 29 9.424 7.325 3.533 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.780 6.757 3.156 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.228 7.134 4.836 1.00 0.00 H new ATOM 431 N LYS A 30 9.096 3.486 6.453 1.00 0.00 N ATOM 432 CA LYS A 30 9.636 2.407 7.275 1.00 0.00 C ATOM 433 C LYS A 30 8.540 1.409 7.612 1.00 0.00 C ATOM 434 O LYS A 30 8.780 0.205 7.695 1.00 0.00 O ATOM 435 CB LYS A 30 10.220 2.986 8.565 1.00 0.00 C ATOM 436 CG LYS A 30 9.120 3.676 9.375 1.00 0.00 C ATOM 437 CD LYS A 30 9.746 4.361 10.594 1.00 0.00 C ATOM 438 CE LYS A 30 8.660 5.066 11.418 1.00 0.00 C ATOM 439 NZ LYS A 30 7.956 4.067 12.271 1.00 0.00 N ATOM 0 H LYS A 30 9.322 4.424 6.783 1.00 0.00 H new ATOM 0 HA LYS A 30 10.422 1.896 6.719 1.00 0.00 H new ATOM 0 HB2 LYS A 30 10.674 2.191 9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.010 3.699 8.328 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.602 4.409 8.757 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.376 2.947 9.695 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.260 3.624 11.211 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.495 5.084 10.270 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.107 5.841 12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.949 5.560 10.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 7.220 4.545 12.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 7.517 3.343 11.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.639 3.616 12.912 1.00 0.00 H new ATOM 453 N GLU A 31 7.333 1.926 7.759 1.00 0.00 N ATOM 454 CA GLU A 31 6.173 1.093 8.034 1.00 0.00 C ATOM 455 C GLU A 31 5.882 0.238 6.811 1.00 0.00 C ATOM 456 O GLU A 31 5.721 -0.981 6.900 1.00 0.00 O ATOM 457 CB GLU A 31 4.976 1.991 8.334 1.00 0.00 C ATOM 458 CG GLU A 31 5.137 2.608 9.723 1.00 0.00 C ATOM 459 CD GLU A 31 3.999 3.583 9.996 1.00 0.00 C ATOM 460 OE1 GLU A 31 3.071 3.613 9.206 1.00 0.00 O ATOM 461 OE2 GLU A 31 4.073 4.288 10.989 1.00 0.00 O ATOM 0 H GLU A 31 7.129 2.923 7.692 1.00 0.00 H new ATOM 0 HA GLU A 31 6.365 0.448 8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.900 2.776 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.053 1.413 8.286 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.144 1.823 10.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.094 3.125 9.791 1.00 0.00 H new ATOM 468 N LEU A 32 5.863 0.892 5.661 1.00 0.00 N ATOM 469 CA LEU A 32 5.651 0.200 4.407 1.00 0.00 C ATOM 470 C LEU A 32 6.830 -0.735 4.197 1.00 0.00 C ATOM 471 O LEU A 32 6.670 -1.888 3.816 1.00 0.00 O ATOM 472 CB LEU A 32 5.529 1.217 3.261 1.00 0.00 C ATOM 473 CG LEU A 32 5.323 0.495 1.916 1.00 0.00 C ATOM 474 CD1 LEU A 32 3.986 -0.260 1.924 1.00 0.00 C ATOM 475 CD2 LEU A 32 5.321 1.517 0.769 1.00 0.00 C ATOM 0 H LEU A 32 5.992 1.900 5.573 1.00 0.00 H new ATOM 0 HA LEU A 32 4.725 -0.375 4.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.692 1.889 3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.428 1.832 3.216 1.00 0.00 H new ATOM 0 HG LEU A 32 6.138 -0.214 1.771 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.849 -0.767 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.988 -0.995 2.729 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.170 0.446 2.080 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.175 1.000 -0.179 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.513 2.232 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.274 2.045 0.751 1.00 0.00 H new ATOM 487 N GLY A 33 8.018 -0.225 4.484 1.00 0.00 N ATOM 488 CA GLY A 33 9.221 -1.024 4.355 1.00 0.00 C ATOM 489 C GLY A 33 9.191 -2.200 5.325 1.00 0.00 C ATOM 490 O GLY A 33 9.530 -3.323 4.956 1.00 0.00 O ATOM 0 H GLY A 33 8.172 0.731 4.805 1.00 0.00 H new ATOM 0 HA2 GLY A 33 9.312 -1.391 3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 33 10.097 -0.406 4.551 1.00 0.00 H new ATOM 494 N THR A 34 8.768 -1.946 6.570 1.00 0.00 N ATOM 495 CA THR A 34 8.689 -3.014 7.566 1.00 0.00 C ATOM 496 C THR A 34 7.965 -4.188 6.936 1.00 0.00 C ATOM 497 O THR A 34 8.387 -5.340 7.027 1.00 0.00 O ATOM 498 CB THR A 34 7.885 -2.524 8.785 1.00 0.00 C ATOM 499 OG1 THR A 34 8.552 -1.427 9.389 1.00 0.00 O ATOM 500 CG2 THR A 34 7.726 -3.649 9.812 1.00 0.00 C ATOM 0 H THR A 34 8.481 -1.026 6.905 1.00 0.00 H new ATOM 0 HA THR A 34 9.689 -3.304 7.889 1.00 0.00 H new ATOM 0 HB THR A 34 6.897 -2.213 8.446 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.360 -0.609 8.884 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.155 -3.284 10.666 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.199 -4.487 9.355 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.710 -3.978 10.147 1.00 0.00 H new ATOM 508 N VAL A 35 6.850 -3.853 6.317 1.00 0.00 N ATOM 509 CA VAL A 35 6.011 -4.824 5.654 1.00 0.00 C ATOM 510 C VAL A 35 6.716 -5.450 4.449 1.00 0.00 C ATOM 511 O VAL A 35 6.781 -6.673 4.325 1.00 0.00 O ATOM 512 CB VAL A 35 4.722 -4.115 5.240 1.00 0.00 C ATOM 513 CG1 VAL A 35 3.850 -5.037 4.394 1.00 0.00 C ATOM 514 CG2 VAL A 35 3.983 -3.703 6.517 1.00 0.00 C ATOM 0 H VAL A 35 6.502 -2.896 6.261 1.00 0.00 H new ATOM 0 HA VAL A 35 5.787 -5.647 6.333 1.00 0.00 H new ATOM 0 HB VAL A 35 4.953 -3.237 4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.937 -4.514 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.395 -5.331 3.497 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.594 -5.926 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.056 -3.193 6.253 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.753 -4.590 7.107 1.00 0.00 H new ATOM 0 HG23 VAL A 35 4.613 -3.032 7.101 1.00 0.00 H new ATOM 524 N MET A 36 7.273 -4.619 3.575 1.00 0.00 N ATOM 525 CA MET A 36 7.982 -5.131 2.407 1.00 0.00 C ATOM 526 C MET A 36 9.198 -5.935 2.862 1.00 0.00 C ATOM 527 O MET A 36 9.496 -7.000 2.318 1.00 0.00 O ATOM 528 CB MET A 36 8.411 -3.957 1.525 1.00 0.00 C ATOM 529 CG MET A 36 7.171 -3.237 0.983 1.00 0.00 C ATOM 530 SD MET A 36 6.285 -4.330 -0.163 1.00 0.00 S ATOM 531 CE MET A 36 6.156 -3.174 -1.550 1.00 0.00 C ATOM 0 H MET A 36 7.249 -3.602 3.650 1.00 0.00 H new ATOM 0 HA MET A 36 7.329 -5.785 1.830 1.00 0.00 H new ATOM 0 HB2 MET A 36 9.024 -3.263 2.100 1.00 0.00 H new ATOM 0 HB3 MET A 36 9.025 -4.316 0.699 1.00 0.00 H new ATOM 0 HG2 MET A 36 6.517 -2.949 1.806 1.00 0.00 H new ATOM 0 HG3 MET A 36 7.465 -2.320 0.473 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.634 -3.655 -2.377 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.602 -2.289 -1.236 1.00 0.00 H new ATOM 0 HE3 MET A 36 7.155 -2.881 -1.873 1.00 0.00 H new ATOM 541 N ARG A 37 9.877 -5.414 3.880 1.00 0.00 N ATOM 542 CA ARG A 37 11.050 -6.065 4.455 1.00 0.00 C ATOM 543 C ARG A 37 10.700 -7.460 4.927 1.00 0.00 C ATOM 544 O ARG A 37 11.398 -8.433 4.643 1.00 0.00 O ATOM 545 CB ARG A 37 11.488 -5.250 5.679 1.00 0.00 C ATOM 546 CG ARG A 37 12.774 -5.821 6.288 1.00 0.00 C ATOM 547 CD ARG A 37 13.143 -5.009 7.537 1.00 0.00 C ATOM 548 NE ARG A 37 14.476 -5.371 8.005 1.00 0.00 N ATOM 549 CZ ARG A 37 14.886 -5.067 9.236 1.00 0.00 C ATOM 550 NH1 ARG A 37 14.084 -4.454 10.064 1.00 0.00 N ATOM 551 NH2 ARG A 37 16.095 -5.384 9.615 1.00 0.00 N ATOM 0 H ARG A 37 9.631 -4.532 4.328 1.00 0.00 H new ATOM 0 HA ARG A 37 11.837 -6.123 3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.648 -4.211 5.390 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.694 -5.254 6.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.633 -6.870 6.550 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.585 -5.781 5.560 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.108 -3.944 7.309 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.412 -5.191 8.325 1.00 0.00 H new ATOM 0 HE ARG A 37 15.108 -5.867 7.377 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.139 -4.206 9.770 1.00 0.00 H new ATOM 0 HH12 ARG A 37 14.402 -4.223 11.005 1.00 0.00 H new ATOM 0 HH21 ARG A 37 16.723 -5.863 8.969 1.00 0.00 H new ATOM 0 HH22 ARG A 37 16.411 -5.153 10.557 1.00 0.00 H new ATOM 565 N SER A 38 9.612 -7.522 5.670 1.00 0.00 N ATOM 566 CA SER A 38 9.134 -8.780 6.229 1.00 0.00 C ATOM 567 C SER A 38 8.596 -9.705 5.144 1.00 0.00 C ATOM 568 O SER A 38 8.457 -10.909 5.357 1.00 0.00 O ATOM 569 CB SER A 38 8.023 -8.503 7.238 1.00 0.00 C ATOM 570 OG SER A 38 6.937 -7.865 6.578 1.00 0.00 O ATOM 0 H SER A 38 9.037 -6.713 5.904 1.00 0.00 H new ATOM 0 HA SER A 38 9.977 -9.270 6.716 1.00 0.00 H new ATOM 0 HB2 SER A 38 7.689 -9.435 7.694 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.397 -7.870 8.043 1.00 0.00 H new ATOM 0 HG SER A 38 7.220 -7.580 5.684 1.00 0.00 H new ATOM 576 N LEU A 39 8.270 -9.139 3.983 1.00 0.00 N ATOM 577 CA LEU A 39 7.720 -9.927 2.876 1.00 0.00 C ATOM 578 C LEU A 39 8.827 -10.423 1.935 1.00 0.00 C ATOM 579 O LEU A 39 8.597 -10.607 0.741 1.00 0.00 O ATOM 580 CB LEU A 39 6.701 -9.074 2.097 1.00 0.00 C ATOM 581 CG LEU A 39 5.410 -8.880 2.929 1.00 0.00 C ATOM 582 CD1 LEU A 39 4.584 -7.731 2.334 1.00 0.00 C ATOM 583 CD2 LEU A 39 4.553 -10.161 2.921 1.00 0.00 C ATOM 0 H LEU A 39 8.375 -8.144 3.783 1.00 0.00 H new ATOM 0 HA LEU A 39 7.224 -10.804 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.137 -8.104 1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.461 -9.557 1.150 1.00 0.00 H new ATOM 0 HG LEU A 39 5.697 -8.651 3.955 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.675 -7.595 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.170 -6.812 2.355 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.319 -7.969 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.652 -9.999 3.512 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.275 -10.407 1.896 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.125 -10.984 3.349 1.00 0.00 H new ATOM 595 N GLY A 40 10.020 -10.661 2.479 1.00 0.00 N ATOM 596 CA GLY A 40 11.130 -11.163 1.669 1.00 0.00 C ATOM 597 C GLY A 40 11.512 -10.187 0.565 1.00 0.00 C ATOM 598 O GLY A 40 11.738 -10.588 -0.576 1.00 0.00 O ATOM 0 H GLY A 40 10.242 -10.517 3.464 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.994 -11.344 2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.854 -12.121 1.228 1.00 0.00 H new ATOM 602 N GLN A 41 11.583 -8.908 0.909 1.00 0.00 N ATOM 603 CA GLN A 41 11.944 -7.868 -0.057 1.00 0.00 C ATOM 604 C GLN A 41 12.992 -6.949 0.565 1.00 0.00 C ATOM 605 O GLN A 41 12.956 -6.692 1.765 1.00 0.00 O ATOM 606 CB GLN A 41 10.692 -7.059 -0.433 1.00 0.00 C ATOM 607 CG GLN A 41 10.916 -6.342 -1.766 1.00 0.00 C ATOM 608 CD GLN A 41 10.860 -7.351 -2.906 1.00 0.00 C ATOM 609 OE1 GLN A 41 11.789 -7.433 -3.710 1.00 0.00 O ATOM 610 NE2 GLN A 41 9.823 -8.133 -3.018 1.00 0.00 N ATOM 0 H GLN A 41 11.396 -8.561 1.850 1.00 0.00 H new ATOM 0 HA GLN A 41 12.354 -8.326 -0.957 1.00 0.00 H new ATOM 0 HB2 GLN A 41 9.829 -7.721 -0.507 1.00 0.00 H new ATOM 0 HB3 GLN A 41 10.470 -6.332 0.348 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.156 -5.574 -1.909 1.00 0.00 H new ATOM 0 HG3 GLN A 41 11.882 -5.837 -1.761 1.00 0.00 H new ATOM 0 HE21 GLN A 41 9.056 -8.062 -2.350 1.00 0.00 H new ATOM 0 HE22 GLN A 41 9.779 -8.816 -3.774 1.00 0.00 H new ATOM 619 N ASN A 42 13.932 -6.467 -0.245 1.00 0.00 N ATOM 620 CA ASN A 42 14.994 -5.583 0.258 1.00 0.00 C ATOM 621 C ASN A 42 15.018 -4.258 -0.496 1.00 0.00 C ATOM 622 O ASN A 42 15.954 -3.985 -1.249 1.00 0.00 O ATOM 623 CB ASN A 42 16.358 -6.263 0.098 1.00 0.00 C ATOM 624 CG ASN A 42 17.440 -5.417 0.766 1.00 0.00 C ATOM 625 OD1 ASN A 42 18.447 -5.086 0.140 1.00 0.00 O ATOM 626 ND2 ASN A 42 17.291 -5.048 2.010 1.00 0.00 N ATOM 0 H ASN A 42 13.985 -6.668 -1.244 1.00 0.00 H new ATOM 0 HA ASN A 42 14.789 -5.386 1.310 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.334 -7.257 0.545 1.00 0.00 H new ATOM 0 HB3 ASN A 42 16.587 -6.394 -0.960 1.00 0.00 H new ATOM 0 HD21 ASN A 42 18.010 -4.485 2.464 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.456 -5.323 2.527 1.00 0.00 H new ATOM 633 N PRO A 43 14.025 -3.424 -0.310 1.00 0.00 N ATOM 634 CA PRO A 43 13.967 -2.100 -0.990 1.00 0.00 C ATOM 635 C PRO A 43 14.866 -1.079 -0.309 1.00 0.00 C ATOM 636 O PRO A 43 14.943 -1.030 0.919 1.00 0.00 O ATOM 637 CB PRO A 43 12.496 -1.701 -0.848 1.00 0.00 C ATOM 638 CG PRO A 43 12.079 -2.311 0.451 1.00 0.00 C ATOM 639 CD PRO A 43 12.851 -3.637 0.562 1.00 0.00 C ATOM 0 HA PRO A 43 14.310 -2.145 -2.024 1.00 0.00 H new ATOM 0 HB2 PRO A 43 12.376 -0.618 -0.837 1.00 0.00 H new ATOM 0 HB3 PRO A 43 11.898 -2.080 -1.677 1.00 0.00 H new ATOM 0 HG2 PRO A 43 12.315 -1.651 1.286 1.00 0.00 H new ATOM 0 HG3 PRO A 43 11.003 -2.483 0.474 1.00 0.00 H new ATOM 0 HD2 PRO A 43 13.147 -3.845 1.590 1.00 0.00 H new ATOM 0 HD3 PRO A 43 12.249 -4.482 0.226 1.00 0.00 H new ATOM 647 N THR A 44 15.501 -0.228 -1.101 1.00 0.00 N ATOM 648 CA THR A 44 16.336 0.818 -0.535 1.00 0.00 C ATOM 649 C THR A 44 15.436 1.964 -0.109 1.00 0.00 C ATOM 650 O THR A 44 14.278 2.025 -0.507 1.00 0.00 O ATOM 651 CB THR A 44 17.367 1.300 -1.556 1.00 0.00 C ATOM 652 OG1 THR A 44 16.732 1.520 -2.805 1.00 0.00 O ATOM 653 CG2 THR A 44 18.463 0.247 -1.713 1.00 0.00 C ATOM 0 H THR A 44 15.456 -0.240 -2.120 1.00 0.00 H new ATOM 0 HA THR A 44 16.882 0.430 0.325 1.00 0.00 H new ATOM 0 HB THR A 44 17.812 2.233 -1.209 1.00 0.00 H new ATOM 0 HG1 THR A 44 17.393 1.831 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 44 19.197 0.592 -2.441 1.00 0.00 H new ATOM 0 HG22 THR A 44 18.953 0.085 -0.753 1.00 0.00 H new ATOM 0 HG23 THR A 44 18.022 -0.688 -2.057 1.00 0.00 H new ATOM 661 N GLU A 45 15.949 2.854 0.714 1.00 0.00 N ATOM 662 CA GLU A 45 15.142 3.960 1.196 1.00 0.00 C ATOM 663 C GLU A 45 14.583 4.800 0.051 1.00 0.00 C ATOM 664 O GLU A 45 13.396 5.127 0.043 1.00 0.00 O ATOM 665 CB GLU A 45 15.978 4.836 2.126 1.00 0.00 C ATOM 666 CG GLU A 45 16.388 4.019 3.354 1.00 0.00 C ATOM 667 CD GLU A 45 15.157 3.690 4.193 1.00 0.00 C ATOM 668 OE1 GLU A 45 14.159 4.374 4.035 1.00 0.00 O ATOM 669 OE2 GLU A 45 15.228 2.755 4.975 1.00 0.00 O ATOM 0 H GLU A 45 16.908 2.837 1.061 1.00 0.00 H new ATOM 0 HA GLU A 45 14.294 3.544 1.740 1.00 0.00 H new ATOM 0 HB2 GLU A 45 16.863 5.200 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 45 15.406 5.712 2.432 1.00 0.00 H new ATOM 0 HG2 GLU A 45 16.882 3.099 3.041 1.00 0.00 H new ATOM 0 HG3 GLU A 45 17.107 4.580 3.951 1.00 0.00 H new ATOM 676 N ALA A 46 15.421 5.136 -0.924 1.00 0.00 N ATOM 677 CA ALA A 46 14.954 5.926 -2.058 1.00 0.00 C ATOM 678 C ALA A 46 13.795 5.211 -2.724 1.00 0.00 C ATOM 679 O ALA A 46 12.791 5.818 -3.084 1.00 0.00 O ATOM 680 CB ALA A 46 16.076 6.088 -3.085 1.00 0.00 C ATOM 0 H ALA A 46 16.408 4.880 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 46 14.642 6.906 -1.698 1.00 0.00 H new ATOM 0 HB1 ALA A 46 15.716 6.679 -3.927 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.923 6.594 -2.622 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.390 5.106 -3.439 1.00 0.00 H new ATOM 686 N GLU A 47 13.974 3.915 -2.902 1.00 0.00 N ATOM 687 CA GLU A 47 12.976 3.089 -3.550 1.00 0.00 C ATOM 688 C GLU A 47 11.629 3.174 -2.823 1.00 0.00 C ATOM 689 O GLU A 47 10.581 3.235 -3.462 1.00 0.00 O ATOM 690 CB GLU A 47 13.481 1.644 -3.570 1.00 0.00 C ATOM 691 CG GLU A 47 12.588 0.791 -4.457 1.00 0.00 C ATOM 692 CD GLU A 47 12.784 1.177 -5.923 1.00 0.00 C ATOM 693 OE1 GLU A 47 13.694 1.941 -6.202 1.00 0.00 O ATOM 694 OE2 GLU A 47 12.010 0.710 -6.742 1.00 0.00 O ATOM 0 H GLU A 47 14.809 3.410 -2.604 1.00 0.00 H new ATOM 0 HA GLU A 47 12.819 3.446 -4.568 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.507 1.614 -3.937 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.493 1.241 -2.557 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.823 -0.264 -4.316 1.00 0.00 H new ATOM 0 HG3 GLU A 47 11.544 0.926 -4.173 1.00 0.00 H new ATOM 701 N LEU A 48 11.662 3.174 -1.494 1.00 0.00 N ATOM 702 CA LEU A 48 10.430 3.251 -0.699 1.00 0.00 C ATOM 703 C LEU A 48 9.735 4.592 -0.874 1.00 0.00 C ATOM 704 O LEU A 48 8.519 4.661 -1.052 1.00 0.00 O ATOM 705 CB LEU A 48 10.768 3.100 0.777 1.00 0.00 C ATOM 706 CG LEU A 48 11.357 1.722 1.030 1.00 0.00 C ATOM 707 CD1 LEU A 48 11.838 1.645 2.484 1.00 0.00 C ATOM 708 CD2 LEU A 48 10.303 0.634 0.756 1.00 0.00 C ATOM 0 H LEU A 48 12.519 3.122 -0.943 1.00 0.00 H new ATOM 0 HA LEU A 48 9.770 2.454 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 48 11.478 3.870 1.078 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.872 3.239 1.381 1.00 0.00 H new ATOM 0 HG LEU A 48 12.200 1.556 0.359 1.00 0.00 H new ATOM 0 HD11 LEU A 48 12.262 0.659 2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 48 12.598 2.407 2.657 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.996 1.814 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.738 -0.348 0.941 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.447 0.782 1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.977 0.697 -0.282 1.00 0.00 H new ATOM 720 N GLN A 49 10.526 5.650 -0.829 1.00 0.00 N ATOM 721 CA GLN A 49 9.993 6.999 -0.986 1.00 0.00 C ATOM 722 C GLN A 49 9.475 7.181 -2.399 1.00 0.00 C ATOM 723 O GLN A 49 8.399 7.733 -2.622 1.00 0.00 O ATOM 724 CB GLN A 49 11.091 8.028 -0.718 1.00 0.00 C ATOM 725 CG GLN A 49 11.442 8.048 0.771 1.00 0.00 C ATOM 726 CD GLN A 49 12.589 9.025 1.009 1.00 0.00 C ATOM 727 OE1 GLN A 49 13.054 9.671 0.071 1.00 0.00 O ATOM 728 NE2 GLN A 49 13.069 9.179 2.212 1.00 0.00 N ATOM 0 H GLN A 49 11.535 5.606 -0.686 1.00 0.00 H new ATOM 0 HA GLN A 49 9.180 7.143 -0.275 1.00 0.00 H new ATOM 0 HB2 GLN A 49 11.977 7.787 -1.305 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.758 9.017 -1.034 1.00 0.00 H new ATOM 0 HG2 GLN A 49 10.571 8.343 1.357 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.726 7.049 1.102 1.00 0.00 H new ATOM 0 HE21 GLN A 49 12.682 8.642 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.832 9.836 2.377 1.00 0.00 H new ATOM 737 N ASP A 50 10.262 6.705 -3.351 1.00 0.00 N ATOM 738 CA ASP A 50 9.912 6.800 -4.747 1.00 0.00 C ATOM 739 C ASP A 50 8.624 6.031 -5.016 1.00 0.00 C ATOM 740 O ASP A 50 7.716 6.538 -5.677 1.00 0.00 O ATOM 741 CB ASP A 50 11.076 6.224 -5.562 1.00 0.00 C ATOM 742 CG ASP A 50 12.136 7.299 -5.790 1.00 0.00 C ATOM 743 OD1 ASP A 50 11.761 8.404 -6.142 1.00 0.00 O ATOM 744 OD2 ASP A 50 13.305 7.003 -5.595 1.00 0.00 O ATOM 0 H ASP A 50 11.155 6.246 -3.173 1.00 0.00 H new ATOM 0 HA ASP A 50 9.740 7.838 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 50 11.514 5.375 -5.036 1.00 0.00 H new ATOM 0 HB3 ASP A 50 10.711 5.852 -6.520 1.00 0.00 H new ATOM 749 N MET A 51 8.545 4.817 -4.479 1.00 0.00 N ATOM 750 CA MET A 51 7.358 3.991 -4.650 1.00 0.00 C ATOM 751 C MET A 51 6.149 4.741 -4.109 1.00 0.00 C ATOM 752 O MET A 51 5.063 4.712 -4.689 1.00 0.00 O ATOM 753 CB MET A 51 7.536 2.675 -3.880 1.00 0.00 C ATOM 754 CG MET A 51 6.336 1.754 -4.125 1.00 0.00 C ATOM 755 SD MET A 51 6.315 1.247 -5.863 1.00 0.00 S ATOM 756 CE MET A 51 7.385 -0.203 -5.696 1.00 0.00 C ATOM 0 H MET A 51 9.285 4.387 -3.925 1.00 0.00 H new ATOM 0 HA MET A 51 7.210 3.771 -5.707 1.00 0.00 H new ATOM 0 HB2 MET A 51 8.454 2.181 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 51 7.636 2.879 -2.814 1.00 0.00 H new ATOM 0 HG2 MET A 51 6.398 0.878 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 51 5.410 2.270 -3.874 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.509 -0.678 -6.669 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.359 0.105 -5.316 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.932 -0.911 -5.002 1.00 0.00 H new ATOM 766 N ILE A 52 6.369 5.424 -2.999 1.00 0.00 N ATOM 767 CA ILE A 52 5.326 6.208 -2.357 1.00 0.00 C ATOM 768 C ILE A 52 4.955 7.414 -3.230 1.00 0.00 C ATOM 769 O ILE A 52 3.793 7.760 -3.362 1.00 0.00 O ATOM 770 CB ILE A 52 5.847 6.674 -0.965 1.00 0.00 C ATOM 771 CG1 ILE A 52 5.264 5.791 0.138 1.00 0.00 C ATOM 772 CG2 ILE A 52 5.477 8.138 -0.668 1.00 0.00 C ATOM 773 CD1 ILE A 52 6.023 6.010 1.443 1.00 0.00 C ATOM 0 H ILE A 52 7.269 5.452 -2.519 1.00 0.00 H new ATOM 0 HA ILE A 52 4.429 5.603 -2.228 1.00 0.00 H new ATOM 0 HB ILE A 52 6.933 6.589 -0.989 1.00 0.00 H new ATOM 0 HG12 ILE A 52 4.208 6.022 0.279 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.324 4.743 -0.155 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.861 8.419 0.313 1.00 0.00 H new ATOM 0 HG22 ILE A 52 5.915 8.785 -1.428 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.393 8.249 -0.678 1.00 0.00 H new ATOM 0 HD11 ILE A 52 5.599 5.376 2.221 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.073 5.756 1.300 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.940 7.055 1.741 1.00 0.00 H new ATOM 785 N ASN A 53 5.961 8.064 -3.786 1.00 0.00 N ATOM 786 CA ASN A 53 5.757 9.262 -4.595 1.00 0.00 C ATOM 787 C ASN A 53 4.849 9.018 -5.799 1.00 0.00 C ATOM 788 O ASN A 53 4.121 9.917 -6.225 1.00 0.00 O ATOM 789 CB ASN A 53 7.115 9.779 -5.070 1.00 0.00 C ATOM 790 CG ASN A 53 7.882 10.369 -3.888 1.00 0.00 C ATOM 791 OD1 ASN A 53 9.084 10.147 -3.754 1.00 0.00 O ATOM 792 ND2 ASN A 53 7.254 11.117 -3.021 1.00 0.00 N ATOM 0 H ASN A 53 6.937 7.783 -3.694 1.00 0.00 H new ATOM 0 HA ASN A 53 5.258 10.001 -3.968 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.687 8.967 -5.519 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.977 10.537 -5.841 1.00 0.00 H new ATOM 0 HD21 ASN A 53 7.761 11.518 -2.232 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.257 11.300 -3.133 1.00 0.00 H new ATOM 799 N GLU A 54 4.921 7.834 -6.384 1.00 0.00 N ATOM 800 CA GLU A 54 4.104 7.532 -7.574 1.00 0.00 C ATOM 801 C GLU A 54 2.635 7.332 -7.202 1.00 0.00 C ATOM 802 O GLU A 54 1.725 7.920 -7.797 1.00 0.00 O ATOM 803 CB GLU A 54 4.637 6.243 -8.254 1.00 0.00 C ATOM 804 CG GLU A 54 6.053 5.946 -7.753 1.00 0.00 C ATOM 805 CD GLU A 54 6.738 4.944 -8.663 1.00 0.00 C ATOM 806 OE1 GLU A 54 6.073 4.434 -9.549 1.00 0.00 O ATOM 807 OE2 GLU A 54 7.915 4.698 -8.464 1.00 0.00 O ATOM 0 H GLU A 54 5.521 7.071 -6.071 1.00 0.00 H new ATOM 0 HA GLU A 54 4.175 8.378 -8.258 1.00 0.00 H new ATOM 0 HB2 GLU A 54 3.978 5.403 -8.032 1.00 0.00 H new ATOM 0 HB3 GLU A 54 4.642 6.366 -9.337 1.00 0.00 H new ATOM 0 HG2 GLU A 54 6.633 6.868 -7.715 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.011 5.554 -6.737 1.00 0.00 H new ATOM 814 N VAL A 55 2.437 6.489 -6.207 1.00 0.00 N ATOM 815 CA VAL A 55 1.114 6.172 -5.706 1.00 0.00 C ATOM 816 C VAL A 55 0.534 7.337 -4.920 1.00 0.00 C ATOM 817 O VAL A 55 -0.666 7.406 -4.663 1.00 0.00 O ATOM 818 CB VAL A 55 1.202 4.947 -4.792 1.00 0.00 C ATOM 819 CG1 VAL A 55 2.111 5.292 -3.605 1.00 0.00 C ATOM 820 CG2 VAL A 55 -0.220 4.545 -4.294 1.00 0.00 C ATOM 0 H VAL A 55 3.192 6.003 -5.722 1.00 0.00 H new ATOM 0 HA VAL A 55 0.463 5.968 -6.556 1.00 0.00 H new ATOM 0 HB VAL A 55 1.618 4.101 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.186 4.430 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.103 5.556 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 55 1.690 6.136 -3.058 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.145 3.673 -3.645 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.659 5.374 -3.739 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.851 4.307 -5.150 1.00 0.00 H new ATOM 830 N ASP A 56 1.409 8.223 -4.509 1.00 0.00 N ATOM 831 CA ASP A 56 1.009 9.370 -3.713 1.00 0.00 C ATOM 832 C ASP A 56 0.415 10.461 -4.606 1.00 0.00 C ATOM 833 O ASP A 56 0.784 11.631 -4.504 1.00 0.00 O ATOM 834 CB ASP A 56 2.235 9.861 -2.944 1.00 0.00 C ATOM 835 CG ASP A 56 1.988 11.172 -2.232 1.00 0.00 C ATOM 836 OD1 ASP A 56 0.839 11.494 -2.003 1.00 0.00 O ATOM 837 OD2 ASP A 56 2.970 11.824 -1.901 1.00 0.00 O ATOM 0 H ASP A 56 2.408 8.176 -4.711 1.00 0.00 H new ATOM 0 HA ASP A 56 0.230 9.094 -3.003 1.00 0.00 H new ATOM 0 HB2 ASP A 56 2.529 9.106 -2.215 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.070 9.979 -3.635 1.00 0.00 H new ATOM 842 N ALA A 57 -0.518 10.060 -5.481 1.00 0.00 N ATOM 843 CA ALA A 57 -1.173 11.003 -6.387 1.00 0.00 C ATOM 844 C ALA A 57 -1.577 12.268 -5.636 1.00 0.00 C ATOM 845 O ALA A 57 -1.800 13.321 -6.236 1.00 0.00 O ATOM 846 CB ALA A 57 -2.428 10.360 -6.986 1.00 0.00 C ATOM 0 H ALA A 57 -0.832 9.094 -5.577 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.472 11.262 -7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.912 11.066 -7.660 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.149 9.463 -7.539 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.117 10.092 -6.185 1.00 0.00 H new ATOM 852 N ASP A 58 -1.685 12.140 -4.318 1.00 0.00 N ATOM 853 CA ASP A 58 -2.075 13.259 -3.464 1.00 0.00 C ATOM 854 C ASP A 58 -0.893 14.184 -3.181 1.00 0.00 C ATOM 855 O ASP A 58 -1.057 15.399 -3.070 1.00 0.00 O ATOM 856 CB ASP A 58 -2.634 12.725 -2.147 1.00 0.00 C ATOM 857 CG ASP A 58 -3.759 11.735 -2.428 1.00 0.00 C ATOM 858 OD1 ASP A 58 -4.293 11.770 -3.525 1.00 0.00 O ATOM 859 OD2 ASP A 58 -4.071 10.959 -1.541 1.00 0.00 O ATOM 0 H ASP A 58 -1.508 11.270 -3.815 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.838 13.836 -3.987 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -1.843 12.239 -1.576 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.006 13.549 -1.538 1.00 0.00 H new ATOM 864 N GLY A 59 0.297 13.603 -3.056 1.00 0.00 N ATOM 865 CA GLY A 59 1.502 14.389 -2.776 1.00 0.00 C ATOM 866 C GLY A 59 1.727 14.547 -1.271 1.00 0.00 C ATOM 867 O GLY A 59 2.512 15.393 -0.838 1.00 0.00 O ATOM 0 H GLY A 59 0.456 12.599 -3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.368 13.903 -3.226 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.412 15.372 -3.237 1.00 0.00 H new ATOM 871 N ASN A 60 1.033 13.734 -0.480 1.00 0.00 N ATOM 872 CA ASN A 60 1.168 13.797 0.973 1.00 0.00 C ATOM 873 C ASN A 60 2.455 13.121 1.440 1.00 0.00 C ATOM 874 O ASN A 60 3.010 13.486 2.476 1.00 0.00 O ATOM 875 CB ASN A 60 -0.036 13.127 1.634 1.00 0.00 C ATOM 876 CG ASN A 60 -0.069 11.645 1.279 1.00 0.00 C ATOM 877 OD1 ASN A 60 0.652 11.203 0.383 1.00 0.00 O ATOM 878 ND2 ASN A 60 -0.868 10.847 1.931 1.00 0.00 N ATOM 0 H ASN A 60 0.377 13.029 -0.816 1.00 0.00 H new ATOM 0 HA ASN A 60 1.210 14.847 1.264 1.00 0.00 H new ATOM 0 HB2 ASN A 60 0.018 13.249 2.716 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -0.957 13.609 1.305 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.897 9.854 1.700 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -1.464 11.216 2.672 1.00 0.00 H new ATOM 885 N GLY A 61 2.937 12.139 0.681 1.00 0.00 N ATOM 886 CA GLY A 61 4.170 11.434 1.043 1.00 0.00 C ATOM 887 C GLY A 61 3.884 10.190 1.875 1.00 0.00 C ATOM 888 O GLY A 61 4.797 9.437 2.205 1.00 0.00 O ATOM 0 H GLY A 61 2.499 11.814 -0.181 1.00 0.00 H new ATOM 0 HA2 GLY A 61 4.707 11.151 0.137 1.00 0.00 H new ATOM 0 HA3 GLY A 61 4.822 12.105 1.603 1.00 0.00 H new ATOM 892 N THR A 62 2.617 9.961 2.191 1.00 0.00 N ATOM 893 CA THR A 62 2.228 8.778 2.962 1.00 0.00 C ATOM 894 C THR A 62 0.993 8.161 2.334 1.00 0.00 C ATOM 895 O THR A 62 0.328 8.787 1.510 1.00 0.00 O ATOM 896 CB THR A 62 1.993 9.140 4.432 1.00 0.00 C ATOM 897 OG1 THR A 62 0.875 10.010 4.544 1.00 0.00 O ATOM 898 CG2 THR A 62 3.247 9.831 4.974 1.00 0.00 C ATOM 0 H THR A 62 1.842 10.571 1.930 1.00 0.00 H new ATOM 0 HA THR A 62 3.035 8.046 2.940 1.00 0.00 H new ATOM 0 HB THR A 62 1.790 8.237 5.007 1.00 0.00 H new ATOM 0 HG1 THR A 62 0.730 10.236 5.486 1.00 0.00 H new ATOM 0 HG21 THR A 62 3.094 10.095 6.020 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.099 9.156 4.891 1.00 0.00 H new ATOM 0 HG23 THR A 62 3.442 10.735 4.397 1.00 0.00 H new ATOM 906 N ILE A 63 0.710 6.914 2.686 1.00 0.00 N ATOM 907 CA ILE A 63 -0.427 6.215 2.093 1.00 0.00 C ATOM 908 C ILE A 63 -1.663 6.307 2.965 1.00 0.00 C ATOM 909 O ILE A 63 -1.679 5.807 4.078 1.00 0.00 O ATOM 910 CB ILE A 63 -0.060 4.742 1.904 1.00 0.00 C ATOM 911 CG1 ILE A 63 1.351 4.649 1.312 1.00 0.00 C ATOM 912 CG2 ILE A 63 -1.055 4.070 0.958 1.00 0.00 C ATOM 913 CD1 ILE A 63 1.445 5.508 0.041 1.00 0.00 C ATOM 0 H ILE A 63 1.241 6.371 3.367 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.653 6.687 1.137 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.092 4.236 2.869 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.085 4.987 2.044 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.589 3.611 1.078 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.785 3.022 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.059 4.137 1.378 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.032 4.571 -0.010 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.451 5.436 -0.373 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.724 5.151 -0.694 1.00 0.00 H new ATOM 0 HD13 ILE A 63 1.227 6.547 0.287 1.00 0.00 H new ATOM 925 N ASP A 64 -2.712 6.913 2.422 1.00 0.00 N ATOM 926 CA ASP A 64 -3.983 7.010 3.126 1.00 0.00 C ATOM 927 C ASP A 64 -4.757 5.760 2.743 1.00 0.00 C ATOM 928 O ASP A 64 -4.180 4.855 2.147 1.00 0.00 O ATOM 929 CB ASP A 64 -4.731 8.277 2.691 1.00 0.00 C ATOM 930 CG ASP A 64 -5.807 8.639 3.708 1.00 0.00 C ATOM 931 OD1 ASP A 64 -6.040 7.846 4.604 1.00 0.00 O ATOM 932 OD2 ASP A 64 -6.383 9.708 3.576 1.00 0.00 O ATOM 0 H ASP A 64 -2.707 7.344 1.497 1.00 0.00 H new ATOM 0 HA ASP A 64 -3.851 7.077 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.028 9.104 2.587 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -5.185 8.120 1.713 1.00 0.00 H new ATOM 937 N PHE A 65 -6.037 5.673 3.042 1.00 0.00 N ATOM 938 CA PHE A 65 -6.755 4.463 2.642 1.00 0.00 C ATOM 939 C PHE A 65 -6.979 4.404 1.115 1.00 0.00 C ATOM 940 O PHE A 65 -6.599 3.413 0.484 1.00 0.00 O ATOM 941 CB PHE A 65 -8.079 4.326 3.383 1.00 0.00 C ATOM 942 CG PHE A 65 -8.889 3.241 2.724 1.00 0.00 C ATOM 943 CD1 PHE A 65 -8.386 1.937 2.674 1.00 0.00 C ATOM 944 CD2 PHE A 65 -10.123 3.539 2.143 1.00 0.00 C ATOM 945 CE1 PHE A 65 -9.115 0.935 2.053 1.00 0.00 C ATOM 946 CE2 PHE A 65 -10.858 2.532 1.519 1.00 0.00 C ATOM 947 CZ PHE A 65 -10.360 1.228 1.474 1.00 0.00 C ATOM 0 H PHE A 65 -6.585 6.379 3.533 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.123 3.619 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -7.903 4.083 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.623 5.270 3.362 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.429 1.711 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.507 4.548 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -8.725 -0.071 2.014 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -11.813 2.761 1.070 1.00 0.00 H new ATOM 0 HZ PHE A 65 -10.931 0.447 0.995 1.00 0.00 H new ATOM 957 N PRO A 66 -7.589 5.396 0.496 1.00 0.00 N ATOM 958 CA PRO A 66 -7.848 5.354 -0.982 1.00 0.00 C ATOM 959 C PRO A 66 -6.550 5.218 -1.780 1.00 0.00 C ATOM 960 O PRO A 66 -6.506 4.550 -2.814 1.00 0.00 O ATOM 961 CB PRO A 66 -8.555 6.694 -1.261 1.00 0.00 C ATOM 962 CG PRO A 66 -8.123 7.572 -0.139 1.00 0.00 C ATOM 963 CD PRO A 66 -8.090 6.657 1.080 1.00 0.00 C ATOM 0 HA PRO A 66 -8.446 4.493 -1.282 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.261 7.107 -2.226 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -9.638 6.577 -1.281 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -7.143 8.008 -0.333 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -8.818 8.399 0.006 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.430 7.038 1.859 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -9.076 6.537 1.528 1.00 0.00 H new ATOM 971 N GLU A 67 -5.491 5.842 -1.285 1.00 0.00 N ATOM 972 CA GLU A 67 -4.205 5.754 -1.956 1.00 0.00 C ATOM 973 C GLU A 67 -3.821 4.293 -2.031 1.00 0.00 C ATOM 974 O GLU A 67 -3.589 3.736 -3.104 1.00 0.00 O ATOM 975 CB GLU A 67 -3.140 6.519 -1.147 1.00 0.00 C ATOM 976 CG GLU A 67 -2.100 7.132 -2.087 1.00 0.00 C ATOM 977 CD GLU A 67 -2.680 8.384 -2.739 1.00 0.00 C ATOM 978 OE1 GLU A 67 -3.773 8.768 -2.363 1.00 0.00 O ATOM 979 OE2 GLU A 67 -2.020 8.947 -3.589 1.00 0.00 O ATOM 0 H GLU A 67 -5.496 6.406 -0.435 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.269 6.189 -2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.615 7.303 -0.558 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.652 5.843 -0.444 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -1.196 7.383 -1.532 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.814 6.410 -2.852 1.00 0.00 H new ATOM 986 N PHE A 68 -3.803 3.667 -0.861 1.00 0.00 N ATOM 987 CA PHE A 68 -3.486 2.270 -0.760 1.00 0.00 C ATOM 988 C PHE A 68 -4.300 1.483 -1.807 1.00 0.00 C ATOM 989 O PHE A 68 -3.796 0.584 -2.450 1.00 0.00 O ATOM 990 CB PHE A 68 -3.768 1.790 0.681 1.00 0.00 C ATOM 991 CG PHE A 68 -3.800 0.286 0.715 1.00 0.00 C ATOM 992 CD1 PHE A 68 -2.601 -0.434 0.664 1.00 0.00 C ATOM 993 CD2 PHE A 68 -5.021 -0.386 0.806 1.00 0.00 C ATOM 994 CE1 PHE A 68 -2.623 -1.832 0.704 1.00 0.00 C ATOM 995 CE2 PHE A 68 -5.040 -1.781 0.849 1.00 0.00 C ATOM 996 CZ PHE A 68 -3.850 -2.502 0.799 1.00 0.00 C ATOM 0 H PHE A 68 -4.007 4.119 0.030 1.00 0.00 H new ATOM 0 HA PHE A 68 -2.430 2.098 -0.968 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.998 2.163 1.356 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.719 2.192 1.029 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.659 0.090 0.594 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -5.946 0.171 0.843 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -1.700 -2.391 0.662 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.982 -2.304 0.921 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.873 -3.581 0.834 1.00 0.00 H new ATOM 1006 N LEU A 69 -5.551 1.833 -1.998 1.00 0.00 N ATOM 1007 CA LEU A 69 -6.359 1.131 -3.013 1.00 0.00 C ATOM 1008 C LEU A 69 -5.699 1.245 -4.388 1.00 0.00 C ATOM 1009 O LEU A 69 -5.654 0.273 -5.146 1.00 0.00 O ATOM 1010 CB LEU A 69 -7.791 1.723 -3.050 1.00 0.00 C ATOM 1011 CG LEU A 69 -8.813 0.757 -2.428 1.00 0.00 C ATOM 1012 CD1 LEU A 69 -9.033 -0.454 -3.349 1.00 0.00 C ATOM 1013 CD2 LEU A 69 -8.324 0.282 -1.045 1.00 0.00 C ATOM 0 H LEU A 69 -6.035 2.574 -1.490 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.422 0.076 -2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.809 2.670 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.071 1.937 -4.081 1.00 0.00 H new ATOM 0 HG LEU A 69 -9.759 1.285 -2.308 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -9.759 -1.129 -2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.408 -0.114 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -8.089 -0.979 -3.491 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.056 -0.401 -0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.369 -0.231 -1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -8.201 1.142 -0.387 1.00 0.00 H new ATOM 1025 N ASN A 70 -5.192 2.425 -4.691 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.527 2.667 -5.968 1.00 0.00 C ATOM 1027 C ASN A 70 -3.337 1.735 -6.078 1.00 0.00 C ATOM 1028 O ASN A 70 -3.122 1.048 -7.073 1.00 0.00 O ATOM 1029 CB ASN A 70 -4.024 4.116 -5.962 1.00 0.00 C ATOM 1030 CG ASN A 70 -3.623 4.591 -7.351 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -3.690 3.839 -8.323 1.00 0.00 O ATOM 1032 ND2 ASN A 70 -3.195 5.818 -7.487 1.00 0.00 N ATOM 0 H ASN A 70 -5.225 3.235 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.208 2.497 -6.802 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -4.804 4.768 -5.568 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.169 4.199 -5.291 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -2.913 6.161 -8.405 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -3.143 6.433 -6.675 1.00 0.00 H new ATOM 1039 N LEU A 71 -2.593 1.730 -4.999 1.00 0.00 N ATOM 1040 CA LEU A 71 -1.412 0.920 -4.844 1.00 0.00 C ATOM 1041 C LEU A 71 -1.682 -0.513 -5.292 1.00 0.00 C ATOM 1042 O LEU A 71 -1.088 -1.010 -6.254 1.00 0.00 O ATOM 1043 CB LEU A 71 -1.091 0.989 -3.336 1.00 0.00 C ATOM 1044 CG LEU A 71 0.349 0.618 -2.990 1.00 0.00 C ATOM 1045 CD1 LEU A 71 0.796 -0.606 -3.781 1.00 0.00 C ATOM 1046 CD2 LEU A 71 1.272 1.795 -3.262 1.00 0.00 C ATOM 0 H LEU A 71 -2.799 2.306 -4.183 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.579 1.271 -5.452 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.291 1.999 -2.978 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.766 0.322 -2.800 1.00 0.00 H new ATOM 0 HG LEU A 71 0.398 0.372 -1.929 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.825 -0.853 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.148 -1.450 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 71 0.735 -0.392 -4.848 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.296 1.519 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.216 2.065 -4.317 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.966 2.646 -2.653 1.00 0.00 H new ATOM 1058 N MET A 72 -2.576 -1.158 -4.573 1.00 0.00 N ATOM 1059 CA MET A 72 -2.953 -2.541 -4.864 1.00 0.00 C ATOM 1060 C MET A 72 -3.594 -2.636 -6.251 1.00 0.00 C ATOM 1061 O MET A 72 -3.357 -3.588 -6.995 1.00 0.00 O ATOM 1062 CB MET A 72 -3.948 -3.029 -3.813 1.00 0.00 C ATOM 1063 CG MET A 72 -3.417 -2.766 -2.399 1.00 0.00 C ATOM 1064 SD MET A 72 -1.713 -3.354 -2.239 1.00 0.00 S ATOM 1065 CE MET A 72 -2.065 -5.097 -2.554 1.00 0.00 C ATOM 0 H MET A 72 -3.063 -0.750 -3.775 1.00 0.00 H new ATOM 0 HA MET A 72 -2.058 -3.162 -4.843 1.00 0.00 H new ATOM 0 HB2 MET A 72 -4.904 -2.523 -3.948 1.00 0.00 H new ATOM 0 HB3 MET A 72 -4.131 -4.095 -3.946 1.00 0.00 H new ATOM 0 HG2 MET A 72 -3.461 -1.699 -2.181 1.00 0.00 H new ATOM 0 HG3 MET A 72 -4.051 -3.268 -1.668 1.00 0.00 H new ATOM 0 HE1 MET A 72 -1.267 -5.711 -2.137 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.012 -5.367 -2.087 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.129 -5.267 -3.629 1.00 0.00 H new ATOM 1075 N ALA A 73 -4.415 -1.646 -6.591 1.00 0.00 N ATOM 1076 CA ALA A 73 -5.090 -1.634 -7.885 1.00 0.00 C ATOM 1077 C ALA A 73 -4.072 -1.733 -9.013 1.00 0.00 C ATOM 1078 O ALA A 73 -4.227 -2.529 -9.941 1.00 0.00 O ATOM 1079 CB ALA A 73 -5.894 -0.343 -8.050 1.00 0.00 C ATOM 0 H ALA A 73 -4.628 -0.847 -5.993 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.763 -2.490 -7.927 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -6.393 -0.346 -9.019 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.640 -0.275 -7.258 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -5.223 0.514 -7.990 1.00 0.00 H new ATOM 1085 N ARG A 74 -3.023 -0.923 -8.915 1.00 0.00 N ATOM 1086 CA ARG A 74 -1.972 -0.930 -9.920 1.00 0.00 C ATOM 1087 C ARG A 74 -1.343 -2.316 -9.980 1.00 0.00 C ATOM 1088 O ARG A 74 -1.107 -2.865 -11.053 1.00 0.00 O ATOM 1089 CB ARG A 74 -0.912 0.102 -9.534 1.00 0.00 C ATOM 1090 CG ARG A 74 -1.467 1.514 -9.731 1.00 0.00 C ATOM 1091 CD ARG A 74 -0.456 2.535 -9.203 1.00 0.00 C ATOM 1092 NE ARG A 74 0.774 2.460 -9.981 1.00 0.00 N ATOM 1093 CZ ARG A 74 1.878 3.083 -9.588 1.00 0.00 C ATOM 1094 NH1 ARG A 74 1.882 3.782 -8.487 1.00 0.00 N ATOM 1095 NH2 ARG A 74 2.964 2.990 -10.307 1.00 0.00 N ATOM 0 H ARG A 74 -2.880 -0.258 -8.154 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.386 -0.681 -10.897 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.615 -0.040 -8.495 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.019 -0.036 -10.143 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.665 1.695 -10.787 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.416 1.620 -9.206 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -0.875 3.540 -9.263 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -0.244 2.341 -8.152 1.00 0.00 H new ATOM 0 HE ARG A 74 0.787 1.918 -10.845 1.00 0.00 H new ATOM 0 HH11 ARG A 74 1.034 3.852 -7.924 1.00 0.00 H new ATOM 0 HH12 ARG A 74 2.733 4.259 -8.189 1.00 0.00 H new ATOM 0 HH21 ARG A 74 2.961 2.440 -11.166 1.00 0.00 H new ATOM 0 HH22 ARG A 74 3.815 3.467 -10.009 1.00 0.00 H new ATOM 1109 N LYS A 75 -1.101 -2.879 -8.808 1.00 0.00 N ATOM 1110 CA LYS A 75 -0.525 -4.215 -8.710 1.00 0.00 C ATOM 1111 C LYS A 75 -1.491 -5.256 -9.276 1.00 0.00 C ATOM 1112 O LYS A 75 -1.087 -6.192 -9.967 1.00 0.00 O ATOM 1113 CB LYS A 75 -0.227 -4.527 -7.243 1.00 0.00 C ATOM 1114 CG LYS A 75 0.964 -3.679 -6.780 1.00 0.00 C ATOM 1115 CD LYS A 75 1.244 -3.933 -5.294 1.00 0.00 C ATOM 1116 CE LYS A 75 2.570 -3.274 -4.892 1.00 0.00 C ATOM 1117 NZ LYS A 75 2.635 -1.888 -5.437 1.00 0.00 N ATOM 0 H LYS A 75 -1.293 -2.434 -7.910 1.00 0.00 H new ATOM 0 HA LYS A 75 0.398 -4.250 -9.289 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -1.102 -4.314 -6.628 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.003 -5.587 -7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.846 -3.923 -7.371 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.753 -2.622 -6.943 1.00 0.00 H new ATOM 0 HD2 LYS A 75 0.431 -3.533 -4.688 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.288 -5.005 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.660 -3.251 -3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.407 -3.862 -5.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.060 -1.256 -4.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.215 -1.881 -6.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.675 -1.558 -5.663 1.00 0.00 H new ATOM 1131 N MET A 76 -2.767 -5.079 -8.963 1.00 0.00 N ATOM 1132 CA MET A 76 -3.811 -5.991 -9.420 1.00 0.00 C ATOM 1133 C MET A 76 -4.152 -5.759 -10.895 1.00 0.00 C ATOM 1134 O MET A 76 -4.807 -6.585 -11.528 1.00 0.00 O ATOM 1135 CB MET A 76 -5.062 -5.775 -8.564 1.00 0.00 C ATOM 1136 CG MET A 76 -4.811 -6.281 -7.138 1.00 0.00 C ATOM 1137 SD MET A 76 -4.625 -8.083 -7.136 1.00 0.00 S ATOM 1138 CE MET A 76 -6.383 -8.508 -7.229 1.00 0.00 C ATOM 0 H MET A 76 -3.108 -4.307 -8.390 1.00 0.00 H new ATOM 0 HA MET A 76 -3.449 -7.014 -9.319 1.00 0.00 H new ATOM 0 HB2 MET A 76 -5.321 -4.716 -8.543 1.00 0.00 H new ATOM 0 HB3 MET A 76 -5.909 -6.302 -9.003 1.00 0.00 H new ATOM 0 HG2 MET A 76 -3.913 -5.815 -6.732 1.00 0.00 H new ATOM 0 HG3 MET A 76 -5.640 -5.993 -6.491 1.00 0.00 H new ATOM 0 HE1 MET A 76 -6.515 -9.367 -7.887 1.00 0.00 H new ATOM 0 HE2 MET A 76 -6.751 -8.754 -6.233 1.00 0.00 H new ATOM 0 HE3 MET A 76 -6.942 -7.659 -7.623 1.00 0.00 H new ATOM 1148 N LYS A 77 -3.699 -4.631 -11.429 1.00 0.00 N ATOM 1149 CA LYS A 77 -3.953 -4.285 -12.829 1.00 0.00 C ATOM 1150 C LYS A 77 -3.213 -5.230 -13.773 1.00 0.00 C ATOM 1151 O LYS A 77 -3.782 -5.719 -14.749 1.00 0.00 O ATOM 1152 CB LYS A 77 -3.482 -2.858 -13.072 1.00 0.00 C ATOM 1153 CG LYS A 77 -3.859 -2.397 -14.481 1.00 0.00 C ATOM 1154 CD LYS A 77 -3.298 -0.988 -14.717 1.00 0.00 C ATOM 1155 CE LYS A 77 -4.088 0.044 -13.901 1.00 0.00 C ATOM 1156 NZ LYS A 77 -3.798 1.402 -14.425 1.00 0.00 N ATOM 0 H LYS A 77 -3.154 -3.938 -10.917 1.00 0.00 H new ATOM 0 HA LYS A 77 -5.021 -4.376 -13.026 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.929 -2.192 -12.334 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -2.401 -2.799 -12.942 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -3.460 -3.089 -15.222 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -4.943 -2.394 -14.598 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -2.246 -0.956 -14.435 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -3.351 -0.741 -15.777 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -5.156 -0.164 -13.965 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -3.814 -0.019 -12.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -4.330 2.107 -13.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.780 1.596 -14.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -4.080 1.456 -15.424 1.00 0.00 H new ATOM 1170 N ASP A 78 -1.938 -5.470 -13.482 1.00 0.00 N ATOM 1171 CA ASP A 78 -1.123 -6.348 -14.317 1.00 0.00 C ATOM 1172 C ASP A 78 0.162 -6.735 -13.594 1.00 0.00 C ATOM 1173 O ASP A 78 1.217 -6.139 -13.812 1.00 0.00 O ATOM 1174 CB ASP A 78 -0.779 -5.642 -15.626 1.00 0.00 C ATOM 1175 CG ASP A 78 -0.067 -6.603 -16.571 1.00 0.00 C ATOM 1176 OD1 ASP A 78 0.370 -7.641 -16.107 1.00 0.00 O ATOM 1177 OD2 ASP A 78 0.032 -6.286 -17.746 1.00 0.00 O ATOM 0 H ASP A 78 -1.449 -5.072 -12.680 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.693 -7.253 -14.528 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.688 -5.266 -16.095 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.144 -4.779 -15.426 1.00 0.00 H new ATOM 1182 N THR A 79 0.063 -7.744 -12.740 1.00 0.00 N ATOM 1183 CA THR A 79 1.221 -8.213 -11.988 1.00 0.00 C ATOM 1184 C THR A 79 1.985 -7.040 -11.383 1.00 0.00 C ATOM 1185 O THR A 79 3.192 -7.154 -11.240 1.00 0.00 O ATOM 1186 CB THR A 79 2.152 -9.014 -12.902 1.00 0.00 C ATOM 1187 OG1 THR A 79 2.657 -8.161 -13.921 1.00 0.00 O ATOM 1188 CG2 THR A 79 1.377 -10.170 -13.539 1.00 0.00 C ATOM 1189 OXT THR A 79 1.354 -6.044 -11.071 1.00 0.00 O ATOM 0 H THR A 79 -0.801 -8.252 -12.550 1.00 0.00 H new ATOM 0 HA THR A 79 0.866 -8.853 -11.180 1.00 0.00 H new ATOM 0 HB THR A 79 2.980 -9.415 -12.318 1.00 0.00 H new ATOM 0 HG1 THR A 79 2.426 -7.231 -13.714 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.042 -10.739 -14.189 1.00 0.00 H new ATOM 0 HG22 THR A 79 0.989 -10.822 -12.757 1.00 0.00 H new ATOM 0 HG23 THR A 79 0.548 -9.773 -14.125 1.00 0.00 H new TER 1197 THR A 79 HETATM 1198 CA CA A 179 1.495 5.616 10.854 1.00 0.00 CA HETATM 1199 CA CA A 192 -1.188 9.726 -0.975 1.00 0.00 CA