USER MOD reduce.3.24.130724 H: found=0, std=0, add=572, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 571 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 29 SER OG : rot 108:sc= 0.984 USER MOD Set 1.2: A 52 MET CE :methyl -134:sc= -4.13! (180deg=-5.24!) USER MOD Set 2.1: A 24 ASN : amide:sc= -3.65! C(o=-3.2!,f=-17!) USER MOD Set 2.2: A 26 SER OG : rot -60:sc= 0.42 USER MOD Single : A 1 SER N :NH3+ -130:sc= 0.078 (180deg=0) USER MOD Single : A 1 SER OG : rot -137:sc= 0.0876 USER MOD Single : A 2 SER OG : rot 180:sc= -0.718 USER MOD Single : A 3 ASN : amide:sc=-0.00597 X(o=-0.006,f=-0.22) USER MOD Single : A 5 THR OG1 : rot 180:sc= -0.642 USER MOD Single : A 8 GLN : amide:sc= -1.48 K(o=-1.5,f=-6.5!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.0445 X(o=-0.045,f=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 MET CE :methyl -113:sc= -6.47! (180deg=-12.9!) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 59:sc= 1.05 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 ASN : amide:sc= -0.32 K(o=-0.32,f=-3.1!) USER MOD Single : A 60 ASN : amide:sc= 0.322 K(o=0.32,f=-3.6!) USER MOD Single : A 61 HIS : no HE2:sc= -11.9! C(o=-12!,f=-12!) USER MOD Single : A 62 GLN : amide:sc= -4.82! C(o=-4.8!,f=-8.7!) USER MOD Single : A 66 SER OG : rot 180:sc= 0.0576 USER MOD Single : A 72 MET CE :methyl -136:sc= -1.41 (180deg=-3.48!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.151 K(o=-0.15,f=-2.4!) USER MOD Single : A 77 LYS NZ :NH3+ -148:sc= -0.066 (180deg=-0.613) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -12.415 -3.065 -24.828 1.00 0.00 N ATOM 2 CA SER A 1 -11.718 -2.487 -23.643 1.00 0.00 C ATOM 3 C SER A 1 -11.484 -3.572 -22.588 1.00 0.00 C ATOM 4 O SER A 1 -11.594 -4.751 -22.860 1.00 0.00 O ATOM 5 CB SER A 1 -12.667 -1.416 -23.109 1.00 0.00 C ATOM 6 OG SER A 1 -12.025 -0.699 -22.062 1.00 0.00 O ATOM 0 H1 SER A 1 -11.908 -2.795 -25.695 1.00 0.00 H new ATOM 0 H2 SER A 1 -12.435 -4.102 -24.747 1.00 0.00 H new ATOM 0 H3 SER A 1 -13.389 -2.702 -24.869 1.00 0.00 H new ATOM 0 HA SER A 1 -10.742 -2.075 -23.898 1.00 0.00 H new ATOM 0 HB2 SER A 1 -12.952 -0.734 -23.910 1.00 0.00 H new ATOM 0 HB3 SER A 1 -13.584 -1.877 -22.741 1.00 0.00 H new ATOM 0 HG SER A 1 -12.654 -0.567 -21.322 1.00 0.00 H new ATOM 14 N SER A 2 -11.161 -3.182 -21.384 1.00 0.00 N ATOM 15 CA SER A 2 -10.920 -4.191 -20.313 1.00 0.00 C ATOM 16 C SER A 2 -10.931 -3.517 -18.939 1.00 0.00 C ATOM 17 O SER A 2 -11.623 -3.940 -18.035 1.00 0.00 O ATOM 18 CB SER A 2 -9.537 -4.767 -20.616 1.00 0.00 C ATOM 19 OG SER A 2 -8.575 -4.145 -19.775 1.00 0.00 O ATOM 0 H SER A 2 -11.054 -2.209 -21.096 1.00 0.00 H new ATOM 0 HA SER A 2 -11.688 -4.964 -20.293 1.00 0.00 H new ATOM 0 HB2 SER A 2 -9.536 -5.845 -20.454 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.283 -4.602 -21.663 1.00 0.00 H new ATOM 0 HG SER A 2 -7.687 -4.513 -19.965 1.00 0.00 H new ATOM 25 N ASN A 3 -10.169 -2.471 -18.775 1.00 0.00 N ATOM 26 CA ASN A 3 -10.137 -1.771 -17.458 1.00 0.00 C ATOM 27 C ASN A 3 -10.048 -2.790 -16.320 1.00 0.00 C ATOM 28 O ASN A 3 -10.902 -2.849 -15.457 1.00 0.00 O ATOM 29 CB ASN A 3 -11.456 -1.000 -17.386 1.00 0.00 C ATOM 30 CG ASN A 3 -11.296 0.351 -18.086 1.00 0.00 C ATOM 31 OD1 ASN A 3 -10.388 1.099 -17.787 1.00 0.00 O ATOM 32 ND2 ASN A 3 -12.148 0.697 -19.013 1.00 0.00 N ATOM 0 H ASN A 3 -9.567 -2.070 -19.495 1.00 0.00 H new ATOM 0 HA ASN A 3 -9.274 -1.112 -17.362 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -12.252 -1.575 -17.859 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.746 -0.851 -16.346 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.050 1.596 -19.486 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.911 0.069 -19.265 1.00 0.00 H new ATOM 39 N LEU A 4 -9.021 -3.596 -16.311 1.00 0.00 N ATOM 40 CA LEU A 4 -8.878 -4.611 -15.229 1.00 0.00 C ATOM 41 C LEU A 4 -10.128 -5.493 -15.162 1.00 0.00 C ATOM 42 O LEU A 4 -11.133 -5.211 -15.786 1.00 0.00 O ATOM 43 CB LEU A 4 -8.725 -3.800 -13.941 1.00 0.00 C ATOM 44 CG LEU A 4 -7.688 -4.467 -13.038 1.00 0.00 C ATOM 45 CD1 LEU A 4 -6.303 -3.891 -13.339 1.00 0.00 C ATOM 46 CD2 LEU A 4 -8.042 -4.201 -11.573 1.00 0.00 C ATOM 0 H LEU A 4 -8.275 -3.595 -17.006 1.00 0.00 H new ATOM 0 HA LEU A 4 -8.030 -5.275 -15.396 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -8.417 -2.781 -14.175 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -9.683 -3.733 -13.425 1.00 0.00 H new ATOM 0 HG LEU A 4 -7.683 -5.541 -13.223 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.563 -4.367 -12.695 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.050 -4.079 -14.382 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -6.308 -2.817 -13.154 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -7.303 -4.676 -10.928 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -8.047 -3.127 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -9.029 -4.610 -11.357 1.00 0.00 H new ATOM 58 N THR A 5 -10.075 -6.560 -14.412 1.00 0.00 N ATOM 59 CA THR A 5 -11.260 -7.459 -14.308 1.00 0.00 C ATOM 60 C THR A 5 -11.228 -8.224 -12.983 1.00 0.00 C ATOM 61 O THR A 5 -10.482 -7.895 -12.081 1.00 0.00 O ATOM 62 CB THR A 5 -11.132 -8.423 -15.488 1.00 0.00 C ATOM 63 OG1 THR A 5 -10.262 -7.863 -16.462 1.00 0.00 O ATOM 64 CG2 THR A 5 -12.510 -8.661 -16.106 1.00 0.00 C ATOM 0 H THR A 5 -9.263 -6.848 -13.867 1.00 0.00 H new ATOM 0 HA THR A 5 -12.200 -6.908 -14.333 1.00 0.00 H new ATOM 0 HB THR A 5 -10.725 -9.372 -15.141 1.00 0.00 H new ATOM 0 HG1 THR A 5 -10.177 -8.480 -17.219 1.00 0.00 H new ATOM 0 HG21 THR A 5 -12.418 -9.348 -16.947 1.00 0.00 H new ATOM 0 HG22 THR A 5 -13.175 -9.091 -15.357 1.00 0.00 H new ATOM 0 HG23 THR A 5 -12.921 -7.714 -16.455 1.00 0.00 H new ATOM 72 N GLU A 6 -12.033 -9.243 -12.855 1.00 0.00 N ATOM 73 CA GLU A 6 -12.049 -10.029 -11.588 1.00 0.00 C ATOM 74 C GLU A 6 -10.676 -10.662 -11.341 1.00 0.00 C ATOM 75 O GLU A 6 -9.944 -10.255 -10.462 1.00 0.00 O ATOM 76 CB GLU A 6 -13.108 -11.110 -11.805 1.00 0.00 C ATOM 77 CG GLU A 6 -14.502 -10.489 -11.695 1.00 0.00 C ATOM 78 CD GLU A 6 -15.480 -11.270 -12.575 1.00 0.00 C ATOM 79 OE1 GLU A 6 -15.159 -12.391 -12.933 1.00 0.00 O ATOM 80 OE2 GLU A 6 -16.533 -10.733 -12.875 1.00 0.00 O ATOM 0 H GLU A 6 -12.681 -9.566 -13.574 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.273 -9.409 -10.720 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.979 -11.569 -12.785 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -12.992 -11.902 -11.065 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -14.838 -10.504 -10.658 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.472 -9.444 -12.005 1.00 0.00 H new ATOM 87 N GLU A 7 -10.324 -11.656 -12.110 1.00 0.00 N ATOM 88 CA GLU A 7 -8.999 -12.313 -11.917 1.00 0.00 C ATOM 89 C GLU A 7 -7.914 -11.256 -11.693 1.00 0.00 C ATOM 90 O GLU A 7 -7.081 -11.384 -10.818 1.00 0.00 O ATOM 91 CB GLU A 7 -8.744 -13.078 -13.215 1.00 0.00 C ATOM 92 CG GLU A 7 -8.536 -14.561 -12.903 1.00 0.00 C ATOM 93 CD GLU A 7 -7.984 -15.272 -14.140 1.00 0.00 C ATOM 94 OE1 GLU A 7 -7.340 -14.613 -14.939 1.00 0.00 O ATOM 95 OE2 GLU A 7 -8.216 -16.463 -14.267 1.00 0.00 O ATOM 0 H GLU A 7 -10.895 -12.041 -12.862 1.00 0.00 H new ATOM 0 HA GLU A 7 -8.986 -12.971 -11.048 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -9.587 -12.954 -13.894 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -7.866 -12.675 -13.720 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -7.845 -14.674 -12.067 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -9.479 -15.015 -12.600 1.00 0.00 H new ATOM 102 N GLN A 8 -7.919 -10.212 -12.476 1.00 0.00 N ATOM 103 CA GLN A 8 -6.889 -9.149 -12.305 1.00 0.00 C ATOM 104 C GLN A 8 -6.829 -8.705 -10.840 1.00 0.00 C ATOM 105 O GLN A 8 -5.823 -8.859 -10.176 1.00 0.00 O ATOM 106 CB GLN A 8 -7.354 -7.997 -13.196 1.00 0.00 C ATOM 107 CG GLN A 8 -6.138 -7.302 -13.812 1.00 0.00 C ATOM 108 CD GLN A 8 -5.444 -8.255 -14.787 1.00 0.00 C ATOM 109 OE1 GLN A 8 -5.655 -9.451 -14.739 1.00 0.00 O ATOM 110 NE2 GLN A 8 -4.621 -7.773 -15.677 1.00 0.00 N ATOM 0 H GLN A 8 -8.591 -10.049 -13.226 1.00 0.00 H new ATOM 0 HA GLN A 8 -5.891 -9.493 -12.575 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.008 -8.373 -13.983 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -7.936 -7.284 -12.612 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -6.449 -6.396 -14.332 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -5.444 -6.998 -13.028 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -4.444 -6.769 -15.717 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -4.155 -8.400 -16.333 1.00 0.00 H new ATOM 119 N ILE A 9 -7.899 -8.158 -10.334 1.00 0.00 N ATOM 120 CA ILE A 9 -7.903 -7.709 -8.912 1.00 0.00 C ATOM 121 C ILE A 9 -7.368 -8.822 -8.008 1.00 0.00 C ATOM 122 O ILE A 9 -6.681 -8.571 -7.037 1.00 0.00 O ATOM 123 CB ILE A 9 -9.368 -7.415 -8.593 1.00 0.00 C ATOM 124 CG1 ILE A 9 -9.867 -6.279 -9.489 1.00 0.00 C ATOM 125 CG2 ILE A 9 -9.499 -7.001 -7.126 1.00 0.00 C ATOM 126 CD1 ILE A 9 -11.315 -5.943 -9.130 1.00 0.00 C ATOM 0 H ILE A 9 -8.770 -8.002 -10.842 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.270 -6.836 -8.751 1.00 0.00 H new ATOM 0 HB ILE A 9 -9.965 -8.309 -8.772 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.237 -5.399 -9.363 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.800 -6.572 -10.537 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -10.544 -6.791 -6.899 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.144 -7.809 -6.487 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -8.902 -6.107 -6.946 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -11.670 -5.134 -9.768 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -11.940 -6.823 -9.279 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -11.368 -5.632 -8.087 1.00 0.00 H new ATOM 138 N ALA A 10 -7.678 -10.050 -8.321 1.00 0.00 N ATOM 139 CA ALA A 10 -7.187 -11.181 -7.481 1.00 0.00 C ATOM 140 C ALA A 10 -5.658 -11.160 -7.410 1.00 0.00 C ATOM 141 O ALA A 10 -5.078 -11.008 -6.354 1.00 0.00 O ATOM 142 CB ALA A 10 -7.676 -12.443 -8.192 1.00 0.00 C ATOM 0 H ALA A 10 -8.250 -10.320 -9.121 1.00 0.00 H new ATOM 0 HA ALA A 10 -7.552 -11.125 -6.456 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -7.354 -13.323 -7.634 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.764 -12.429 -8.251 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.259 -12.479 -9.198 1.00 0.00 H new ATOM 148 N GLU A 11 -5.001 -11.311 -8.529 1.00 0.00 N ATOM 149 CA GLU A 11 -3.511 -11.297 -8.525 1.00 0.00 C ATOM 150 C GLU A 11 -2.997 -10.066 -7.775 1.00 0.00 C ATOM 151 O GLU A 11 -1.992 -10.116 -7.093 1.00 0.00 O ATOM 152 CB GLU A 11 -3.110 -11.233 -9.999 1.00 0.00 C ATOM 153 CG GLU A 11 -2.814 -12.645 -10.510 1.00 0.00 C ATOM 154 CD GLU A 11 -3.735 -12.966 -11.688 1.00 0.00 C ATOM 155 OE1 GLU A 11 -4.823 -12.416 -11.730 1.00 0.00 O ATOM 156 OE2 GLU A 11 -3.337 -13.757 -12.527 1.00 0.00 O ATOM 0 H GLU A 11 -5.432 -11.443 -9.444 1.00 0.00 H new ATOM 0 HA GLU A 11 -3.091 -12.171 -8.027 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -3.911 -10.783 -10.585 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.232 -10.599 -10.121 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.771 -12.720 -10.819 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.962 -13.371 -9.711 1.00 0.00 H new ATOM 163 N PHE A 12 -3.681 -8.961 -7.893 1.00 0.00 N ATOM 164 CA PHE A 12 -3.233 -7.728 -7.185 1.00 0.00 C ATOM 165 C PHE A 12 -3.299 -7.940 -5.670 1.00 0.00 C ATOM 166 O PHE A 12 -2.394 -7.580 -4.944 1.00 0.00 O ATOM 167 CB PHE A 12 -4.217 -6.641 -7.619 1.00 0.00 C ATOM 168 CG PHE A 12 -3.805 -6.095 -8.965 1.00 0.00 C ATOM 169 CD1 PHE A 12 -3.700 -6.951 -10.067 1.00 0.00 C ATOM 170 CD2 PHE A 12 -3.529 -4.730 -9.110 1.00 0.00 C ATOM 171 CE1 PHE A 12 -3.319 -6.444 -11.315 1.00 0.00 C ATOM 172 CE2 PHE A 12 -3.148 -4.223 -10.359 1.00 0.00 C ATOM 173 CZ PHE A 12 -3.043 -5.080 -11.461 1.00 0.00 C ATOM 0 H PHE A 12 -4.530 -8.858 -8.449 1.00 0.00 H new ATOM 0 HA PHE A 12 -2.204 -7.462 -7.426 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -5.226 -7.050 -7.674 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -4.238 -5.839 -6.881 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -3.913 -8.004 -9.955 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.610 -4.069 -8.260 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.238 -7.105 -12.165 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.935 -3.170 -10.472 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.749 -4.688 -12.424 1.00 0.00 H new ATOM 183 N LYS A 13 -4.362 -8.526 -5.189 1.00 0.00 N ATOM 184 CA LYS A 13 -4.481 -8.763 -3.723 1.00 0.00 C ATOM 185 C LYS A 13 -3.290 -9.585 -3.227 1.00 0.00 C ATOM 186 O LYS A 13 -2.597 -9.200 -2.306 1.00 0.00 O ATOM 187 CB LYS A 13 -5.783 -9.547 -3.552 1.00 0.00 C ATOM 188 CG LYS A 13 -5.982 -9.893 -2.074 1.00 0.00 C ATOM 189 CD LYS A 13 -7.257 -9.222 -1.560 1.00 0.00 C ATOM 190 CE LYS A 13 -6.893 -8.164 -0.515 1.00 0.00 C ATOM 191 NZ LYS A 13 -6.853 -8.901 0.778 1.00 0.00 N ATOM 0 H LYS A 13 -5.152 -8.850 -5.747 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.488 -7.835 -3.152 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -6.625 -8.957 -3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.752 -10.459 -4.149 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.051 -10.974 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.123 -9.559 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.796 -8.761 -2.387 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.921 -9.967 -1.122 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.930 -7.704 -0.737 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.631 -7.363 -0.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.609 -8.243 1.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -7.785 -9.323 0.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.137 -9.653 0.727 1.00 0.00 H new ATOM 205 N GLU A 14 -3.041 -10.713 -3.834 1.00 0.00 N ATOM 206 CA GLU A 14 -1.891 -11.555 -3.399 1.00 0.00 C ATOM 207 C GLU A 14 -0.621 -10.705 -3.325 1.00 0.00 C ATOM 208 O GLU A 14 0.167 -10.827 -2.408 1.00 0.00 O ATOM 209 CB GLU A 14 -1.756 -12.630 -4.478 1.00 0.00 C ATOM 210 CG GLU A 14 -1.061 -13.860 -3.890 1.00 0.00 C ATOM 211 CD GLU A 14 -2.112 -14.826 -3.338 1.00 0.00 C ATOM 212 OE1 GLU A 14 -3.196 -14.872 -3.897 1.00 0.00 O ATOM 213 OE2 GLU A 14 -1.815 -15.501 -2.368 1.00 0.00 O ATOM 0 H GLU A 14 -3.584 -11.088 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.044 -11.990 -2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.740 -12.903 -4.859 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.183 -12.244 -5.321 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.464 -14.355 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.376 -13.559 -3.097 1.00 0.00 H new ATOM 220 N ALA A 15 -0.420 -9.842 -4.282 1.00 0.00 N ATOM 221 CA ALA A 15 0.796 -8.980 -4.267 1.00 0.00 C ATOM 222 C ALA A 15 0.718 -7.982 -3.108 1.00 0.00 C ATOM 223 O ALA A 15 1.435 -8.088 -2.135 1.00 0.00 O ATOM 224 CB ALA A 15 0.779 -8.247 -5.608 1.00 0.00 C ATOM 0 H ALA A 15 -1.045 -9.696 -5.074 1.00 0.00 H new ATOM 0 HA ALA A 15 1.711 -9.556 -4.131 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.646 -7.590 -5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 15 0.811 -8.973 -6.420 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -0.132 -7.655 -5.687 1.00 0.00 H new ATOM 230 N PHE A 16 -0.153 -7.014 -3.207 1.00 0.00 N ATOM 231 CA PHE A 16 -0.284 -6.008 -2.114 1.00 0.00 C ATOM 232 C PHE A 16 -0.218 -6.696 -0.747 1.00 0.00 C ATOM 233 O PHE A 16 0.513 -6.283 0.132 1.00 0.00 O ATOM 234 CB PHE A 16 -1.658 -5.376 -2.328 1.00 0.00 C ATOM 235 CG PHE A 16 -1.858 -4.251 -1.341 1.00 0.00 C ATOM 236 CD1 PHE A 16 -1.369 -2.971 -1.630 1.00 0.00 C ATOM 237 CD2 PHE A 16 -2.533 -4.487 -0.138 1.00 0.00 C ATOM 238 CE1 PHE A 16 -1.556 -1.928 -0.715 1.00 0.00 C ATOM 239 CE2 PHE A 16 -2.720 -3.444 0.777 1.00 0.00 C ATOM 240 CZ PHE A 16 -2.231 -2.164 0.488 1.00 0.00 C ATOM 0 H PHE A 16 -0.781 -6.876 -3.999 1.00 0.00 H new ATOM 0 HA PHE A 16 0.517 -5.269 -2.134 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.741 -4.998 -3.347 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.438 -6.127 -2.202 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.848 -2.789 -2.558 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.910 -5.474 0.085 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.179 -0.941 -0.938 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -3.241 -3.626 1.705 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.375 -1.359 1.193 1.00 0.00 H new ATOM 250 N ALA A 17 -0.976 -7.741 -0.561 1.00 0.00 N ATOM 251 CA ALA A 17 -0.958 -8.453 0.749 1.00 0.00 C ATOM 252 C ALA A 17 0.382 -9.165 0.952 1.00 0.00 C ATOM 253 O ALA A 17 0.785 -9.443 2.065 1.00 0.00 O ATOM 254 CB ALA A 17 -2.097 -9.469 0.662 1.00 0.00 C ATOM 0 H ALA A 17 -1.608 -8.133 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.082 -7.770 1.590 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.151 -10.036 1.591 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.040 -8.946 0.501 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.914 -10.150 -0.169 1.00 0.00 H new ATOM 260 N LEU A 18 1.076 -9.464 -0.112 1.00 0.00 N ATOM 261 CA LEU A 18 2.389 -10.159 0.027 1.00 0.00 C ATOM 262 C LEU A 18 3.369 -9.287 0.819 1.00 0.00 C ATOM 263 O LEU A 18 4.319 -9.774 1.398 1.00 0.00 O ATOM 264 CB LEU A 18 2.886 -10.361 -1.404 1.00 0.00 C ATOM 265 CG LEU A 18 3.248 -11.832 -1.615 1.00 0.00 C ATOM 266 CD1 LEU A 18 3.527 -12.082 -3.098 1.00 0.00 C ATOM 267 CD2 LEU A 18 4.497 -12.171 -0.798 1.00 0.00 C ATOM 0 H LEU A 18 0.792 -9.258 -1.070 1.00 0.00 H new ATOM 0 HA LEU A 18 2.300 -11.104 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.116 -10.060 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.756 -9.731 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 18 2.418 -12.460 -1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.785 -13.130 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 18 2.639 -11.840 -3.681 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.357 -11.454 -3.423 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.756 -13.219 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.326 -11.542 -1.123 1.00 0.00 H new ATOM 0 HD23 LEU A 18 4.300 -11.993 0.259 1.00 0.00 H new ATOM 279 N PHE A 19 3.145 -8.002 0.849 1.00 0.00 N ATOM 280 CA PHE A 19 4.065 -7.103 1.605 1.00 0.00 C ATOM 281 C PHE A 19 3.296 -6.358 2.699 1.00 0.00 C ATOM 282 O PHE A 19 3.697 -5.301 3.144 1.00 0.00 O ATOM 283 CB PHE A 19 4.606 -6.120 0.566 1.00 0.00 C ATOM 284 CG PHE A 19 5.033 -6.875 -0.670 1.00 0.00 C ATOM 285 CD1 PHE A 19 4.092 -7.197 -1.654 1.00 0.00 C ATOM 286 CD2 PHE A 19 6.371 -7.253 -0.832 1.00 0.00 C ATOM 287 CE1 PHE A 19 4.487 -7.896 -2.800 1.00 0.00 C ATOM 288 CE2 PHE A 19 6.767 -7.953 -1.978 1.00 0.00 C ATOM 289 CZ PHE A 19 5.826 -8.275 -2.962 1.00 0.00 C ATOM 0 H PHE A 19 2.366 -7.535 0.384 1.00 0.00 H new ATOM 0 HA PHE A 19 4.866 -7.654 2.098 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.841 -5.387 0.311 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.451 -5.568 0.978 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.060 -6.906 -1.529 1.00 0.00 H new ATOM 0 HD2 PHE A 19 7.098 -7.005 -0.073 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.760 -8.143 -3.559 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.799 -8.245 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.132 -8.815 -3.846 1.00 0.00 H new ATOM 299 N ASP A 20 2.192 -6.901 3.136 1.00 0.00 N ATOM 300 CA ASP A 20 1.398 -6.224 4.200 1.00 0.00 C ATOM 301 C ASP A 20 1.994 -6.526 5.578 1.00 0.00 C ATOM 302 O ASP A 20 1.701 -7.539 6.183 1.00 0.00 O ATOM 303 CB ASP A 20 -0.007 -6.815 4.082 1.00 0.00 C ATOM 304 CG ASP A 20 0.045 -8.317 4.364 1.00 0.00 C ATOM 305 OD1 ASP A 20 1.134 -8.868 4.333 1.00 0.00 O ATOM 306 OD2 ASP A 20 -1.004 -8.892 4.605 1.00 0.00 O ATOM 0 H ASP A 20 1.806 -7.784 2.802 1.00 0.00 H new ATOM 0 HA ASP A 20 1.395 -5.140 4.087 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -0.679 -6.325 4.787 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.406 -6.635 3.084 1.00 0.00 H new ATOM 311 N LYS A 21 2.827 -5.655 6.079 1.00 0.00 N ATOM 312 CA LYS A 21 3.439 -5.895 7.418 1.00 0.00 C ATOM 313 C LYS A 21 2.381 -5.752 8.516 1.00 0.00 C ATOM 314 O LYS A 21 2.422 -6.430 9.523 1.00 0.00 O ATOM 315 CB LYS A 21 4.511 -4.815 7.562 1.00 0.00 C ATOM 316 CG LYS A 21 5.084 -4.851 8.980 1.00 0.00 C ATOM 317 CD LYS A 21 5.748 -3.509 9.298 1.00 0.00 C ATOM 318 CE LYS A 21 7.073 -3.403 8.539 1.00 0.00 C ATOM 319 NZ LYS A 21 8.011 -2.752 9.495 1.00 0.00 N ATOM 0 H LYS A 21 3.110 -4.789 5.620 1.00 0.00 H new ATOM 0 HA LYS A 21 3.856 -6.898 7.508 1.00 0.00 H new ATOM 0 HB2 LYS A 21 5.305 -4.976 6.833 1.00 0.00 H new ATOM 0 HB3 LYS A 21 4.084 -3.834 7.356 1.00 0.00 H new ATOM 0 HG2 LYS A 21 4.291 -5.055 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 21 5.811 -5.658 9.069 1.00 0.00 H new ATOM 0 HD2 LYS A 21 5.088 -2.689 9.016 1.00 0.00 H new ATOM 0 HD3 LYS A 21 5.923 -3.423 10.370 1.00 0.00 H new ATOM 0 HE2 LYS A 21 7.435 -4.386 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 21 6.962 -2.812 7.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 8.943 -2.644 9.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 7.643 -1.816 9.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 8.102 -3.341 10.347 1.00 0.00 H new ATOM 333 N ASP A 22 1.434 -4.873 8.328 1.00 0.00 N ATOM 334 CA ASP A 22 0.375 -4.688 9.362 1.00 0.00 C ATOM 335 C ASP A 22 -0.628 -5.844 9.304 1.00 0.00 C ATOM 336 O ASP A 22 -1.514 -5.952 10.128 1.00 0.00 O ATOM 337 CB ASP A 22 -0.307 -3.368 8.998 1.00 0.00 C ATOM 338 CG ASP A 22 -0.250 -2.417 10.194 1.00 0.00 C ATOM 339 OD1 ASP A 22 0.051 -2.881 11.281 1.00 0.00 O ATOM 340 OD2 ASP A 22 -0.509 -1.240 10.002 1.00 0.00 O ATOM 0 H ASP A 22 1.348 -4.276 7.505 1.00 0.00 H new ATOM 0 HA ASP A 22 0.783 -4.671 10.373 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.187 -2.917 8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.343 -3.549 8.713 1.00 0.00 H new ATOM 345 N ASN A 23 -0.495 -6.709 8.336 1.00 0.00 N ATOM 346 CA ASN A 23 -1.441 -7.856 8.226 1.00 0.00 C ATOM 347 C ASN A 23 -2.885 -7.367 8.362 1.00 0.00 C ATOM 348 O ASN A 23 -3.734 -8.048 8.902 1.00 0.00 O ATOM 349 CB ASN A 23 -1.076 -8.782 9.387 1.00 0.00 C ATOM 350 CG ASN A 23 -1.187 -10.239 8.933 1.00 0.00 C ATOM 351 OD1 ASN A 23 -2.003 -10.985 9.437 1.00 0.00 O ATOM 352 ND2 ASN A 23 -0.394 -10.679 7.995 1.00 0.00 N ATOM 0 H ASN A 23 0.227 -6.671 7.617 1.00 0.00 H new ATOM 0 HA ASN A 23 -1.368 -8.361 7.263 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.062 -8.573 9.728 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -1.740 -8.602 10.232 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.459 -11.649 7.685 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.291 -10.053 7.571 1.00 0.00 H new ATOM 359 N ASN A 24 -3.171 -6.190 7.877 1.00 0.00 N ATOM 360 CA ASN A 24 -4.560 -5.658 7.980 1.00 0.00 C ATOM 361 C ASN A 24 -5.066 -5.232 6.598 1.00 0.00 C ATOM 362 O ASN A 24 -6.147 -4.696 6.461 1.00 0.00 O ATOM 363 CB ASN A 24 -4.454 -4.448 8.908 1.00 0.00 C ATOM 364 CG ASN A 24 -3.642 -3.347 8.222 1.00 0.00 C ATOM 365 OD1 ASN A 24 -3.215 -3.504 7.095 1.00 0.00 O ATOM 366 ND2 ASN A 24 -3.408 -2.233 8.859 1.00 0.00 N ATOM 0 H ASN A 24 -2.503 -5.573 7.414 1.00 0.00 H new ATOM 0 HA ASN A 24 -5.260 -6.402 8.360 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -5.449 -4.079 9.157 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -3.977 -4.736 9.845 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -2.867 -1.494 8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.766 -2.101 9.805 1.00 0.00 H new ATOM 373 N GLY A 25 -4.291 -5.467 5.574 1.00 0.00 N ATOM 374 CA GLY A 25 -4.729 -5.076 4.205 1.00 0.00 C ATOM 375 C GLY A 25 -4.158 -3.700 3.859 1.00 0.00 C ATOM 376 O GLY A 25 -4.742 -2.946 3.105 1.00 0.00 O ATOM 0 H GLY A 25 -3.375 -5.912 5.627 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.390 -5.815 3.479 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.818 -5.053 4.153 1.00 0.00 H new ATOM 380 N SER A 26 -3.021 -3.364 4.404 1.00 0.00 N ATOM 381 CA SER A 26 -2.414 -2.035 4.105 1.00 0.00 C ATOM 382 C SER A 26 -0.889 -2.152 4.039 1.00 0.00 C ATOM 383 O SER A 26 -0.281 -2.895 4.785 1.00 0.00 O ATOM 384 CB SER A 26 -2.833 -1.138 5.269 1.00 0.00 C ATOM 385 OG SER A 26 -2.134 -1.535 6.442 1.00 0.00 O ATOM 0 H SER A 26 -2.486 -3.952 5.043 1.00 0.00 H new ATOM 0 HA SER A 26 -2.743 -1.637 3.145 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.615 -0.096 5.037 1.00 0.00 H new ATOM 0 HB3 SER A 26 -3.909 -1.210 5.430 1.00 0.00 H new ATOM 0 HG SER A 26 -2.354 -2.466 6.655 1.00 0.00 H new ATOM 391 N ILE A 27 -0.266 -1.426 3.151 1.00 0.00 N ATOM 392 CA ILE A 27 1.218 -1.498 3.038 1.00 0.00 C ATOM 393 C ILE A 27 1.814 -0.090 2.964 1.00 0.00 C ATOM 394 O ILE A 27 1.127 0.871 2.676 1.00 0.00 O ATOM 395 CB ILE A 27 1.481 -2.260 1.739 1.00 0.00 C ATOM 396 CG1 ILE A 27 1.181 -1.350 0.544 1.00 0.00 C ATOM 397 CG2 ILE A 27 0.577 -3.492 1.678 1.00 0.00 C ATOM 398 CD1 ILE A 27 1.403 -2.122 -0.757 1.00 0.00 C ATOM 0 H ILE A 27 -0.721 -0.786 2.499 1.00 0.00 H new ATOM 0 HA ILE A 27 1.673 -1.989 3.898 1.00 0.00 H new ATOM 0 HB ILE A 27 2.525 -2.572 1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.153 -0.992 0.596 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.826 -0.472 0.572 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.764 -4.035 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 27 0.788 -4.141 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -0.467 -3.179 1.710 1.00 0.00 H new ATOM 0 HD11 ILE A 27 1.189 -1.473 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.439 -2.458 -0.809 1.00 0.00 H new ATOM 0 HD13 ILE A 27 0.740 -2.986 -0.785 1.00 0.00 H new ATOM 410 N SER A 28 3.087 0.040 3.216 1.00 0.00 N ATOM 411 CA SER A 28 3.725 1.386 3.154 1.00 0.00 C ATOM 412 C SER A 28 4.132 1.705 1.712 1.00 0.00 C ATOM 413 O SER A 28 4.432 0.822 0.934 1.00 0.00 O ATOM 414 CB SER A 28 4.960 1.282 4.048 1.00 0.00 C ATOM 415 OG SER A 28 4.547 1.137 5.401 1.00 0.00 O ATOM 0 H SER A 28 3.713 -0.727 3.462 1.00 0.00 H new ATOM 0 HA SER A 28 3.053 2.179 3.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 5.570 0.430 3.748 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.580 2.172 3.938 1.00 0.00 H new ATOM 0 HG SER A 28 5.336 1.068 5.978 1.00 0.00 H new ATOM 421 N SER A 29 4.141 2.958 1.350 1.00 0.00 N ATOM 422 CA SER A 29 4.527 3.326 -0.042 1.00 0.00 C ATOM 423 C SER A 29 5.751 2.518 -0.483 1.00 0.00 C ATOM 424 O SER A 29 5.785 1.967 -1.565 1.00 0.00 O ATOM 425 CB SER A 29 4.860 4.816 0.019 1.00 0.00 C ATOM 426 OG SER A 29 6.041 5.064 -0.732 1.00 0.00 O ATOM 0 H SER A 29 3.898 3.742 1.956 1.00 0.00 H new ATOM 0 HA SER A 29 3.734 3.116 -0.759 1.00 0.00 H new ATOM 0 HB2 SER A 29 4.032 5.402 -0.380 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.001 5.127 1.054 1.00 0.00 H new ATOM 0 HG SER A 29 5.809 5.534 -1.560 1.00 0.00 H new ATOM 432 N SER A 30 6.753 2.442 0.348 1.00 0.00 N ATOM 433 CA SER A 30 7.972 1.668 -0.024 1.00 0.00 C ATOM 434 C SER A 30 7.580 0.264 -0.490 1.00 0.00 C ATOM 435 O SER A 30 8.184 -0.296 -1.384 1.00 0.00 O ATOM 436 CB SER A 30 8.803 1.595 1.256 1.00 0.00 C ATOM 437 OG SER A 30 9.360 0.294 1.381 1.00 0.00 O ATOM 0 H SER A 30 6.781 2.882 1.268 1.00 0.00 H new ATOM 0 HA SER A 30 8.524 2.133 -0.840 1.00 0.00 H new ATOM 0 HB2 SER A 30 9.597 2.342 1.231 1.00 0.00 H new ATOM 0 HB3 SER A 30 8.180 1.821 2.121 1.00 0.00 H new ATOM 0 HG SER A 30 9.895 0.245 2.201 1.00 0.00 H new ATOM 443 N GLU A 31 6.572 -0.311 0.109 1.00 0.00 N ATOM 444 CA GLU A 31 6.141 -1.677 -0.300 1.00 0.00 C ATOM 445 C GLU A 31 5.275 -1.604 -1.562 1.00 0.00 C ATOM 446 O GLU A 31 5.272 -2.504 -2.378 1.00 0.00 O ATOM 447 CB GLU A 31 5.324 -2.206 0.881 1.00 0.00 C ATOM 448 CG GLU A 31 6.209 -2.258 2.128 1.00 0.00 C ATOM 449 CD GLU A 31 6.597 -3.709 2.418 1.00 0.00 C ATOM 450 OE1 GLU A 31 7.600 -4.150 1.882 1.00 0.00 O ATOM 451 OE2 GLU A 31 5.885 -4.354 3.169 1.00 0.00 O ATOM 0 H GLU A 31 6.029 0.107 0.864 1.00 0.00 H new ATOM 0 HA GLU A 31 6.987 -2.324 -0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.463 -1.562 1.059 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.937 -3.200 0.654 1.00 0.00 H new ATOM 0 HG2 GLU A 31 7.104 -1.654 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.679 -1.835 2.981 1.00 0.00 H new ATOM 458 N LEU A 32 4.540 -0.537 -1.727 1.00 0.00 N ATOM 459 CA LEU A 32 3.679 -0.409 -2.936 1.00 0.00 C ATOM 460 C LEU A 32 4.525 -0.565 -4.202 1.00 0.00 C ATOM 461 O LEU A 32 4.195 -1.325 -5.090 1.00 0.00 O ATOM 462 CB LEU A 32 3.083 0.996 -2.856 1.00 0.00 C ATOM 463 CG LEU A 32 2.308 1.295 -4.140 1.00 0.00 C ATOM 464 CD1 LEU A 32 1.194 0.262 -4.314 1.00 0.00 C ATOM 465 CD2 LEU A 32 1.695 2.695 -4.049 1.00 0.00 C ATOM 0 H LEU A 32 4.499 0.249 -1.078 1.00 0.00 H new ATOM 0 HA LEU A 32 2.904 -1.174 -2.974 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.422 1.073 -1.993 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.875 1.731 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 32 2.984 1.248 -4.994 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.641 0.474 -5.229 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.629 -0.735 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.517 0.310 -3.461 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.142 2.910 -4.963 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.018 2.741 -3.196 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.488 3.432 -3.923 1.00 0.00 H new ATOM 477 N ALA A 33 5.617 0.143 -4.291 1.00 0.00 N ATOM 478 CA ALA A 33 6.479 0.022 -5.500 1.00 0.00 C ATOM 479 C ALA A 33 6.770 -1.453 -5.780 1.00 0.00 C ATOM 480 O ALA A 33 6.780 -1.890 -6.913 1.00 0.00 O ATOM 481 CB ALA A 33 7.767 0.768 -5.149 1.00 0.00 C ATOM 0 H ALA A 33 5.949 0.797 -3.582 1.00 0.00 H new ATOM 0 HA ALA A 33 6.007 0.433 -6.392 1.00 0.00 H new ATOM 0 HB1 ALA A 33 8.455 0.723 -5.993 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.535 1.809 -4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 33 8.230 0.304 -4.278 1.00 0.00 H new ATOM 487 N THR A 34 6.999 -2.227 -4.753 1.00 0.00 N ATOM 488 CA THR A 34 7.277 -3.675 -4.965 1.00 0.00 C ATOM 489 C THR A 34 6.071 -4.337 -5.635 1.00 0.00 C ATOM 490 O THR A 34 6.130 -4.739 -6.780 1.00 0.00 O ATOM 491 CB THR A 34 7.498 -4.254 -3.569 1.00 0.00 C ATOM 492 OG1 THR A 34 8.722 -3.763 -3.042 1.00 0.00 O ATOM 493 CG2 THR A 34 7.551 -5.779 -3.658 1.00 0.00 C ATOM 0 H THR A 34 7.005 -1.920 -3.780 1.00 0.00 H new ATOM 0 HA THR A 34 8.141 -3.842 -5.609 1.00 0.00 H new ATOM 0 HB THR A 34 6.679 -3.957 -2.914 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.864 -4.133 -2.146 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.709 -6.196 -2.663 1.00 0.00 H new ATOM 0 HG22 THR A 34 6.611 -6.153 -4.063 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.371 -6.077 -4.311 1.00 0.00 H new ATOM 501 N VAL A 35 4.973 -4.442 -4.936 1.00 0.00 N ATOM 502 CA VAL A 35 3.766 -5.067 -5.549 1.00 0.00 C ATOM 503 C VAL A 35 3.562 -4.488 -6.950 1.00 0.00 C ATOM 504 O VAL A 35 2.993 -5.114 -7.823 1.00 0.00 O ATOM 505 CB VAL A 35 2.602 -4.684 -4.633 1.00 0.00 C ATOM 506 CG1 VAL A 35 2.859 -5.222 -3.225 1.00 0.00 C ATOM 507 CG2 VAL A 35 2.475 -3.161 -4.578 1.00 0.00 C ATOM 0 H VAL A 35 4.860 -4.124 -3.973 1.00 0.00 H new ATOM 0 HA VAL A 35 3.853 -6.149 -5.646 1.00 0.00 H new ATOM 0 HB VAL A 35 1.679 -5.113 -5.024 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.029 -4.948 -2.574 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.949 -6.308 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.782 -4.794 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 35 1.646 -2.888 -3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.399 -2.733 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.290 -2.775 -5.580 1.00 0.00 H new ATOM 517 N MET A 36 4.032 -3.288 -7.164 1.00 0.00 N ATOM 518 CA MET A 36 3.882 -2.644 -8.498 1.00 0.00 C ATOM 519 C MET A 36 4.609 -3.463 -9.569 1.00 0.00 C ATOM 520 O MET A 36 4.005 -3.960 -10.498 1.00 0.00 O ATOM 521 CB MET A 36 4.532 -1.268 -8.339 1.00 0.00 C ATOM 522 CG MET A 36 3.695 -0.218 -9.069 1.00 0.00 C ATOM 523 SD MET A 36 4.464 0.168 -10.661 1.00 0.00 S ATOM 524 CE MET A 36 5.562 1.479 -10.070 1.00 0.00 C ATOM 0 H MET A 36 4.516 -2.724 -6.466 1.00 0.00 H new ATOM 0 HA MET A 36 2.840 -2.573 -8.811 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.613 -1.013 -7.282 1.00 0.00 H new ATOM 0 HB3 MET A 36 5.545 -1.284 -8.741 1.00 0.00 H new ATOM 0 HG2 MET A 36 2.682 -0.588 -9.223 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.616 0.685 -8.463 1.00 0.00 H new ATOM 0 HE1 MET A 36 5.250 2.434 -10.494 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.513 1.532 -8.982 1.00 0.00 H new ATOM 0 HE3 MET A 36 6.585 1.263 -10.377 1.00 0.00 H new ATOM 534 N ARG A 37 5.902 -3.603 -9.450 1.00 0.00 N ATOM 535 CA ARG A 37 6.664 -4.385 -10.466 1.00 0.00 C ATOM 536 C ARG A 37 6.364 -5.882 -10.329 1.00 0.00 C ATOM 537 O ARG A 37 6.550 -6.649 -11.252 1.00 0.00 O ATOM 538 CB ARG A 37 8.135 -4.104 -10.158 1.00 0.00 C ATOM 539 CG ARG A 37 8.570 -2.821 -10.869 1.00 0.00 C ATOM 540 CD ARG A 37 10.074 -2.878 -11.149 1.00 0.00 C ATOM 541 NE ARG A 37 10.685 -1.957 -10.151 1.00 0.00 N ATOM 542 CZ ARG A 37 11.923 -2.128 -9.779 1.00 0.00 C ATOM 543 NH1 ARG A 37 12.890 -1.998 -10.647 1.00 0.00 N ATOM 544 NH2 ARG A 37 12.198 -2.429 -8.539 1.00 0.00 N ATOM 0 H ARG A 37 6.463 -3.210 -8.694 1.00 0.00 H new ATOM 0 HA ARG A 37 6.396 -4.104 -11.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 8.279 -4.003 -9.082 1.00 0.00 H new ATOM 0 HB3 ARG A 37 8.752 -4.941 -10.485 1.00 0.00 H new ATOM 0 HG2 ARG A 37 8.020 -2.705 -11.803 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.337 -1.953 -10.252 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.458 -3.892 -11.038 1.00 0.00 H new ATOM 0 HD3 ARG A 37 10.298 -2.562 -12.168 1.00 0.00 H new ATOM 0 HE ARG A 37 10.135 -1.193 -9.759 1.00 0.00 H new ATOM 0 HH11 ARG A 37 12.677 -1.763 -11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.858 -2.132 -10.356 1.00 0.00 H new ATOM 0 HH21 ARG A 37 11.444 -2.531 -7.860 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.167 -2.562 -8.249 1.00 0.00 H new ATOM 558 N SER A 38 5.905 -6.303 -9.182 1.00 0.00 N ATOM 559 CA SER A 38 5.600 -7.750 -8.986 1.00 0.00 C ATOM 560 C SER A 38 4.427 -8.173 -9.871 1.00 0.00 C ATOM 561 O SER A 38 4.375 -9.284 -10.359 1.00 0.00 O ATOM 562 CB SER A 38 5.231 -7.879 -7.509 1.00 0.00 C ATOM 563 OG SER A 38 5.948 -8.966 -6.940 1.00 0.00 O ATOM 0 H SER A 38 5.728 -5.708 -8.372 1.00 0.00 H new ATOM 0 HA SER A 38 6.442 -8.388 -9.255 1.00 0.00 H new ATOM 0 HB2 SER A 38 5.468 -6.955 -6.981 1.00 0.00 H new ATOM 0 HB3 SER A 38 4.158 -8.040 -7.403 1.00 0.00 H new ATOM 0 HG SER A 38 5.715 -9.051 -5.992 1.00 0.00 H new ATOM 569 N LEU A 39 3.483 -7.299 -10.081 1.00 0.00 N ATOM 570 CA LEU A 39 2.314 -7.661 -10.935 1.00 0.00 C ATOM 571 C LEU A 39 2.777 -7.972 -12.361 1.00 0.00 C ATOM 572 O LEU A 39 2.161 -8.745 -13.068 1.00 0.00 O ATOM 573 CB LEU A 39 1.408 -6.427 -10.922 1.00 0.00 C ATOM 574 CG LEU A 39 0.538 -6.437 -9.661 1.00 0.00 C ATOM 575 CD1 LEU A 39 -0.493 -5.311 -9.746 1.00 0.00 C ATOM 576 CD2 LEU A 39 -0.187 -7.779 -9.547 1.00 0.00 C ATOM 0 H LEU A 39 3.468 -6.353 -9.701 1.00 0.00 H new ATOM 0 HA LEU A 39 1.796 -8.547 -10.568 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.012 -5.520 -10.951 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.777 -6.418 -11.811 1.00 0.00 H new ATOM 0 HG LEU A 39 1.170 -6.291 -8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.113 -5.317 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.020 -4.353 -9.826 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.123 -5.460 -10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -0.805 -7.784 -8.649 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.818 -7.927 -10.423 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.545 -8.584 -9.487 1.00 0.00 H new ATOM 588 N GLY A 40 3.859 -7.381 -12.788 1.00 0.00 N ATOM 589 CA GLY A 40 4.358 -7.650 -14.166 1.00 0.00 C ATOM 590 C GLY A 40 4.546 -6.329 -14.913 1.00 0.00 C ATOM 591 O GLY A 40 4.373 -6.252 -16.113 1.00 0.00 O ATOM 0 H GLY A 40 4.418 -6.725 -12.243 1.00 0.00 H new ATOM 0 HA2 GLY A 40 5.303 -8.192 -14.122 1.00 0.00 H new ATOM 0 HA3 GLY A 40 3.652 -8.284 -14.702 1.00 0.00 H new ATOM 595 N LEU A 41 4.901 -5.286 -14.213 1.00 0.00 N ATOM 596 CA LEU A 41 5.101 -3.970 -14.886 1.00 0.00 C ATOM 597 C LEU A 41 6.366 -3.291 -14.355 1.00 0.00 C ATOM 598 O LEU A 41 7.023 -3.793 -13.464 1.00 0.00 O ATOM 599 CB LEU A 41 3.861 -3.148 -14.530 1.00 0.00 C ATOM 600 CG LEU A 41 3.558 -3.301 -13.040 1.00 0.00 C ATOM 601 CD1 LEU A 41 3.279 -1.925 -12.431 1.00 0.00 C ATOM 602 CD2 LEU A 41 2.330 -4.196 -12.859 1.00 0.00 C ATOM 0 H LEU A 41 5.061 -5.288 -13.206 1.00 0.00 H new ATOM 0 HA LEU A 41 5.225 -4.073 -15.964 1.00 0.00 H new ATOM 0 HB2 LEU A 41 4.026 -2.098 -14.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.008 -3.482 -15.121 1.00 0.00 H new ATOM 0 HG LEU A 41 4.415 -3.752 -12.540 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.063 -2.035 -11.368 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.153 -1.286 -12.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.422 -1.473 -12.931 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.113 -4.306 -11.796 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.474 -3.744 -13.359 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.527 -5.177 -13.292 1.00 0.00 H new ATOM 614 N SER A 42 6.713 -2.156 -14.894 1.00 0.00 N ATOM 615 CA SER A 42 7.936 -1.447 -14.418 1.00 0.00 C ATOM 616 C SER A 42 8.006 -0.044 -15.026 1.00 0.00 C ATOM 617 O SER A 42 8.621 0.157 -16.055 1.00 0.00 O ATOM 618 CB SER A 42 9.104 -2.303 -14.907 1.00 0.00 C ATOM 619 OG SER A 42 9.294 -2.086 -16.298 1.00 0.00 O ATOM 0 H SER A 42 6.204 -1.688 -15.643 1.00 0.00 H new ATOM 0 HA SER A 42 7.946 -1.323 -13.335 1.00 0.00 H new ATOM 0 HB2 SER A 42 10.011 -2.047 -14.360 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.903 -3.357 -14.716 1.00 0.00 H new ATOM 0 HG SER A 42 9.466 -1.135 -16.460 1.00 0.00 H new ATOM 625 N PRO A 43 7.371 0.882 -14.362 1.00 0.00 N ATOM 626 CA PRO A 43 7.357 2.288 -14.837 1.00 0.00 C ATOM 627 C PRO A 43 8.725 2.940 -14.616 1.00 0.00 C ATOM 628 O PRO A 43 9.727 2.267 -14.474 1.00 0.00 O ATOM 629 CB PRO A 43 6.291 2.948 -13.966 1.00 0.00 C ATOM 630 CG PRO A 43 6.234 2.114 -12.727 1.00 0.00 C ATOM 631 CD PRO A 43 6.612 0.710 -13.119 1.00 0.00 C ATOM 0 HA PRO A 43 7.147 2.380 -15.903 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.553 3.980 -13.735 1.00 0.00 H new ATOM 0 HB3 PRO A 43 5.326 2.970 -14.472 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.918 2.500 -11.971 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.234 2.137 -12.293 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.213 0.228 -12.348 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.731 0.087 -13.272 1.00 0.00 H new ATOM 639 N SER A 44 8.776 4.243 -14.588 1.00 0.00 N ATOM 640 CA SER A 44 10.081 4.933 -14.378 1.00 0.00 C ATOM 641 C SER A 44 9.983 5.898 -13.192 1.00 0.00 C ATOM 642 O SER A 44 8.906 6.235 -12.742 1.00 0.00 O ATOM 643 CB SER A 44 10.337 5.701 -15.674 1.00 0.00 C ATOM 644 OG SER A 44 9.991 4.880 -16.781 1.00 0.00 O ATOM 0 H SER A 44 7.972 4.860 -14.701 1.00 0.00 H new ATOM 0 HA SER A 44 10.887 4.234 -14.154 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.749 6.619 -15.689 1.00 0.00 H new ATOM 0 HB3 SER A 44 11.385 5.993 -15.736 1.00 0.00 H new ATOM 0 HG SER A 44 10.152 5.370 -17.614 1.00 0.00 H new ATOM 650 N GLU A 45 11.099 6.345 -12.685 1.00 0.00 N ATOM 651 CA GLU A 45 11.068 7.287 -11.530 1.00 0.00 C ATOM 652 C GLU A 45 9.987 8.348 -11.745 1.00 0.00 C ATOM 653 O GLU A 45 9.016 8.415 -11.018 1.00 0.00 O ATOM 654 CB GLU A 45 12.455 7.931 -11.505 1.00 0.00 C ATOM 655 CG GLU A 45 12.495 9.018 -10.429 1.00 0.00 C ATOM 656 CD GLU A 45 13.949 9.352 -10.095 1.00 0.00 C ATOM 657 OE1 GLU A 45 14.815 8.982 -10.871 1.00 0.00 O ATOM 658 OE2 GLU A 45 14.173 9.972 -9.069 1.00 0.00 O ATOM 0 H GLU A 45 12.030 6.099 -13.020 1.00 0.00 H new ATOM 0 HA GLU A 45 10.837 6.783 -10.591 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.214 7.176 -11.302 1.00 0.00 H new ATOM 0 HB3 GLU A 45 12.685 8.361 -12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 11.977 9.911 -10.780 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.974 8.678 -9.534 1.00 0.00 H new ATOM 665 N ALA A 46 10.144 9.178 -12.741 1.00 0.00 N ATOM 666 CA ALA A 46 9.122 10.232 -13.002 1.00 0.00 C ATOM 667 C ALA A 46 7.716 9.642 -12.869 1.00 0.00 C ATOM 668 O ALA A 46 6.885 10.149 -12.142 1.00 0.00 O ATOM 669 CB ALA A 46 9.380 10.689 -14.438 1.00 0.00 C ATOM 0 H ALA A 46 10.935 9.172 -13.385 1.00 0.00 H new ATOM 0 HA ALA A 46 9.189 11.059 -12.296 1.00 0.00 H new ATOM 0 HB1 ALA A 46 8.665 11.467 -14.706 1.00 0.00 H new ATOM 0 HB2 ALA A 46 10.393 11.083 -14.518 1.00 0.00 H new ATOM 0 HB3 ALA A 46 9.266 9.843 -15.115 1.00 0.00 H new ATOM 675 N GLU A 47 7.445 8.569 -13.563 1.00 0.00 N ATOM 676 CA GLU A 47 6.094 7.946 -13.472 1.00 0.00 C ATOM 677 C GLU A 47 5.750 7.655 -12.010 1.00 0.00 C ATOM 678 O GLU A 47 4.610 7.745 -11.599 1.00 0.00 O ATOM 679 CB GLU A 47 6.204 6.645 -14.268 1.00 0.00 C ATOM 680 CG GLU A 47 4.860 6.336 -14.929 1.00 0.00 C ATOM 681 CD GLU A 47 5.029 6.322 -16.450 1.00 0.00 C ATOM 682 OE1 GLU A 47 4.947 7.384 -17.044 1.00 0.00 O ATOM 683 OE2 GLU A 47 5.237 5.251 -16.994 1.00 0.00 O ATOM 0 H GLU A 47 8.100 8.098 -14.188 1.00 0.00 H new ATOM 0 HA GLU A 47 5.309 8.595 -13.861 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.982 6.735 -15.026 1.00 0.00 H new ATOM 0 HB3 GLU A 47 6.494 5.827 -13.609 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.487 5.371 -14.585 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.121 7.084 -14.642 1.00 0.00 H new ATOM 690 N VAL A 48 6.729 7.307 -11.221 1.00 0.00 N ATOM 691 CA VAL A 48 6.462 7.011 -9.783 1.00 0.00 C ATOM 692 C VAL A 48 6.160 8.308 -9.028 1.00 0.00 C ATOM 693 O VAL A 48 5.215 8.390 -8.269 1.00 0.00 O ATOM 694 CB VAL A 48 7.751 6.376 -9.261 1.00 0.00 C ATOM 695 CG1 VAL A 48 7.474 5.684 -7.925 1.00 0.00 C ATOM 696 CG2 VAL A 48 8.260 5.345 -10.270 1.00 0.00 C ATOM 0 H VAL A 48 7.703 7.214 -11.509 1.00 0.00 H new ATOM 0 HA VAL A 48 5.603 6.354 -9.649 1.00 0.00 H new ATOM 0 HB VAL A 48 8.505 7.151 -9.122 1.00 0.00 H new ATOM 0 HG11 VAL A 48 8.393 5.231 -7.552 1.00 0.00 H new ATOM 0 HG12 VAL A 48 7.112 6.417 -7.204 1.00 0.00 H new ATOM 0 HG13 VAL A 48 6.719 4.910 -8.066 1.00 0.00 H new ATOM 0 HG21 VAL A 48 9.179 4.893 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.506 4.571 -10.411 1.00 0.00 H new ATOM 0 HG23 VAL A 48 8.458 5.836 -11.223 1.00 0.00 H new ATOM 706 N ASN A 49 6.957 9.322 -9.231 1.00 0.00 N ATOM 707 CA ASN A 49 6.717 10.613 -8.525 1.00 0.00 C ATOM 708 C ASN A 49 5.249 11.024 -8.660 1.00 0.00 C ATOM 709 O ASN A 49 4.610 11.405 -7.700 1.00 0.00 O ATOM 710 CB ASN A 49 7.625 11.623 -9.229 1.00 0.00 C ATOM 711 CG ASN A 49 8.395 12.432 -8.184 1.00 0.00 C ATOM 712 OD1 ASN A 49 8.027 13.546 -7.869 1.00 0.00 O ATOM 713 ND2 ASN A 49 9.456 11.914 -7.629 1.00 0.00 N ATOM 0 H ASN A 49 7.764 9.312 -9.855 1.00 0.00 H new ATOM 0 HA ASN A 49 6.931 10.547 -7.458 1.00 0.00 H new ATOM 0 HB2 ASN A 49 8.321 11.104 -9.888 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.030 12.289 -9.854 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.977 12.444 -6.930 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.765 10.979 -7.894 1.00 0.00 H new ATOM 720 N ASP A 50 4.708 10.950 -9.846 1.00 0.00 N ATOM 721 CA ASP A 50 3.281 11.338 -10.040 1.00 0.00 C ATOM 722 C ASP A 50 2.358 10.257 -9.471 1.00 0.00 C ATOM 723 O ASP A 50 1.427 10.542 -8.746 1.00 0.00 O ATOM 724 CB ASP A 50 3.105 11.452 -11.555 1.00 0.00 C ATOM 725 CG ASP A 50 2.318 12.723 -11.883 1.00 0.00 C ATOM 726 OD1 ASP A 50 2.145 13.536 -10.991 1.00 0.00 O ATOM 727 OD2 ASP A 50 1.901 12.860 -13.021 1.00 0.00 O ATOM 0 H ASP A 50 5.192 10.638 -10.688 1.00 0.00 H new ATOM 0 HA ASP A 50 3.032 12.268 -9.530 1.00 0.00 H new ATOM 0 HB2 ASP A 50 4.079 11.478 -12.044 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.579 10.577 -11.938 1.00 0.00 H new ATOM 732 N LEU A 51 2.610 9.018 -9.795 1.00 0.00 N ATOM 733 CA LEU A 51 1.745 7.920 -9.271 1.00 0.00 C ATOM 734 C LEU A 51 1.656 8.001 -7.745 1.00 0.00 C ATOM 735 O LEU A 51 0.640 7.688 -7.156 1.00 0.00 O ATOM 736 CB LEU A 51 2.443 6.629 -9.702 1.00 0.00 C ATOM 737 CG LEU A 51 2.346 6.477 -11.220 1.00 0.00 C ATOM 738 CD1 LEU A 51 3.391 5.468 -11.700 1.00 0.00 C ATOM 739 CD2 LEU A 51 0.949 5.981 -11.595 1.00 0.00 C ATOM 0 H LEU A 51 3.376 8.718 -10.399 1.00 0.00 H new ATOM 0 HA LEU A 51 0.725 7.978 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 51 3.488 6.649 -9.394 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.982 5.772 -9.210 1.00 0.00 H new ATOM 0 HG LEU A 51 2.528 7.442 -11.693 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.322 5.360 -12.782 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.387 5.821 -11.434 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.210 4.503 -11.226 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.880 5.873 -12.677 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.766 5.017 -11.121 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.204 6.700 -11.254 1.00 0.00 H new ATOM 751 N MET A 52 2.711 8.418 -7.101 1.00 0.00 N ATOM 752 CA MET A 52 2.686 8.518 -5.614 1.00 0.00 C ATOM 753 C MET A 52 2.041 9.838 -5.183 1.00 0.00 C ATOM 754 O MET A 52 1.168 9.867 -4.339 1.00 0.00 O ATOM 755 CB MET A 52 4.154 8.474 -5.188 1.00 0.00 C ATOM 756 CG MET A 52 4.604 7.018 -5.057 1.00 0.00 C ATOM 757 SD MET A 52 4.793 6.601 -3.306 1.00 0.00 S ATOM 758 CE MET A 52 3.628 5.217 -3.275 1.00 0.00 C ATOM 0 H MET A 52 3.589 8.694 -7.540 1.00 0.00 H new ATOM 0 HA MET A 52 2.105 7.717 -5.157 1.00 0.00 H new ATOM 0 HB2 MET A 52 4.772 8.992 -5.921 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.284 8.993 -4.238 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.873 6.357 -5.523 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.548 6.869 -5.581 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.979 5.308 -2.404 1.00 0.00 H new ATOM 0 HE2 MET A 52 3.023 5.230 -4.182 1.00 0.00 H new ATOM 0 HE3 MET A 52 4.179 4.278 -3.220 1.00 0.00 H new ATOM 768 N ASN A 53 2.465 10.930 -5.757 1.00 0.00 N ATOM 769 CA ASN A 53 1.874 12.247 -5.381 1.00 0.00 C ATOM 770 C ASN A 53 0.346 12.168 -5.402 1.00 0.00 C ATOM 771 O ASN A 53 -0.334 12.916 -4.727 1.00 0.00 O ATOM 772 CB ASN A 53 2.376 13.225 -6.444 1.00 0.00 C ATOM 773 CG ASN A 53 3.042 14.422 -5.764 1.00 0.00 C ATOM 774 OD1 ASN A 53 2.916 14.605 -4.569 1.00 0.00 O ATOM 775 ND2 ASN A 53 3.751 15.253 -6.480 1.00 0.00 N ATOM 0 H ASN A 53 3.194 10.968 -6.469 1.00 0.00 H new ATOM 0 HA ASN A 53 2.161 12.556 -4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.086 12.727 -7.105 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.545 13.562 -7.064 1.00 0.00 H new ATOM 0 HD21 ASN A 53 4.199 16.055 -6.036 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.857 15.100 -7.483 1.00 0.00 H new ATOM 782 N GLU A 54 -0.200 11.266 -6.170 1.00 0.00 N ATOM 783 CA GLU A 54 -1.684 11.140 -6.233 1.00 0.00 C ATOM 784 C GLU A 54 -2.223 10.584 -4.913 1.00 0.00 C ATOM 785 O GLU A 54 -3.395 10.702 -4.610 1.00 0.00 O ATOM 786 CB GLU A 54 -1.950 10.159 -7.376 1.00 0.00 C ATOM 787 CG GLU A 54 -2.669 10.885 -8.515 1.00 0.00 C ATOM 788 CD GLU A 54 -1.641 11.593 -9.400 1.00 0.00 C ATOM 789 OE1 GLU A 54 -0.653 10.965 -9.743 1.00 0.00 O ATOM 790 OE2 GLU A 54 -1.859 12.750 -9.719 1.00 0.00 O ATOM 0 H GLU A 54 0.317 10.611 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.174 12.100 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -1.010 9.738 -7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -2.557 9.326 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -3.245 10.174 -9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.376 11.609 -8.110 1.00 0.00 H new ATOM 797 N ILE A 55 -1.379 9.979 -4.123 1.00 0.00 N ATOM 798 CA ILE A 55 -1.844 9.416 -2.823 1.00 0.00 C ATOM 799 C ILE A 55 -0.842 9.749 -1.714 1.00 0.00 C ATOM 800 O ILE A 55 -1.213 10.012 -0.587 1.00 0.00 O ATOM 801 CB ILE A 55 -1.914 7.906 -3.048 1.00 0.00 C ATOM 802 CG1 ILE A 55 -2.329 7.217 -1.746 1.00 0.00 C ATOM 803 CG2 ILE A 55 -0.541 7.390 -3.481 1.00 0.00 C ATOM 804 CD1 ILE A 55 -2.124 5.707 -1.878 1.00 0.00 C ATOM 0 H ILE A 55 -0.387 9.850 -4.321 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.806 9.827 -2.515 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.646 7.688 -3.826 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.740 7.603 -0.914 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.374 7.435 -1.524 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.591 6.313 -3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.243 7.881 -4.407 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.191 7.607 -2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -2.420 5.217 -0.950 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.733 5.328 -2.699 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -1.073 5.499 -2.079 1.00 0.00 H new ATOM 816 N ASP A 56 0.426 9.738 -2.025 1.00 0.00 N ATOM 817 CA ASP A 56 1.450 10.054 -0.987 1.00 0.00 C ATOM 818 C ASP A 56 0.999 11.252 -0.145 1.00 0.00 C ATOM 819 O ASP A 56 0.678 12.302 -0.666 1.00 0.00 O ATOM 820 CB ASP A 56 2.716 10.396 -1.772 1.00 0.00 C ATOM 821 CG ASP A 56 3.823 10.813 -0.802 1.00 0.00 C ATOM 822 OD1 ASP A 56 4.223 9.984 -0.001 1.00 0.00 O ATOM 823 OD2 ASP A 56 4.250 11.953 -0.876 1.00 0.00 O ATOM 0 H ASP A 56 0.797 9.524 -2.951 1.00 0.00 H new ATOM 0 HA ASP A 56 1.609 9.225 -0.298 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.037 9.535 -2.358 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.513 11.203 -2.476 1.00 0.00 H new ATOM 828 N VAL A 57 0.974 11.102 1.150 1.00 0.00 N ATOM 829 CA VAL A 57 0.545 12.232 2.023 1.00 0.00 C ATOM 830 C VAL A 57 1.736 13.144 2.333 1.00 0.00 C ATOM 831 O VAL A 57 1.659 14.348 2.196 1.00 0.00 O ATOM 832 CB VAL A 57 0.029 11.571 3.302 1.00 0.00 C ATOM 833 CG1 VAL A 57 -0.649 12.622 4.182 1.00 0.00 C ATOM 834 CG2 VAL A 57 -0.983 10.483 2.939 1.00 0.00 C ATOM 0 H VAL A 57 1.232 10.247 1.642 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.215 12.853 1.550 1.00 0.00 H new ATOM 0 HB VAL A 57 0.864 11.127 3.844 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.017 12.151 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 57 0.070 13.399 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.484 13.066 3.641 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.352 10.011 3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.818 10.928 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.502 9.733 2.311 1.00 0.00 H new ATOM 844 N ASP A 58 2.836 12.578 2.747 1.00 0.00 N ATOM 845 CA ASP A 58 4.030 13.412 3.064 1.00 0.00 C ATOM 846 C ASP A 58 5.294 12.547 3.069 1.00 0.00 C ATOM 847 O ASP A 58 6.271 12.864 3.719 1.00 0.00 O ATOM 848 CB ASP A 58 3.759 13.977 4.459 1.00 0.00 C ATOM 849 CG ASP A 58 3.335 15.441 4.344 1.00 0.00 C ATOM 850 OD1 ASP A 58 3.090 15.881 3.233 1.00 0.00 O ATOM 851 OD2 ASP A 58 3.261 16.098 5.370 1.00 0.00 O ATOM 0 H ASP A 58 2.960 11.574 2.880 1.00 0.00 H new ATOM 0 HA ASP A 58 4.190 14.201 2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 58 2.977 13.399 4.951 1.00 0.00 H new ATOM 0 HB3 ASP A 58 4.653 13.894 5.076 1.00 0.00 H new ATOM 856 N GLY A 59 5.282 11.458 2.351 1.00 0.00 N ATOM 857 CA GLY A 59 6.482 10.576 2.316 1.00 0.00 C ATOM 858 C GLY A 59 6.120 9.196 2.867 1.00 0.00 C ATOM 859 O GLY A 59 6.154 8.207 2.161 1.00 0.00 O ATOM 0 H GLY A 59 4.493 11.141 1.787 1.00 0.00 H new ATOM 0 HA2 GLY A 59 6.850 10.486 1.294 1.00 0.00 H new ATOM 0 HA3 GLY A 59 7.286 11.015 2.907 1.00 0.00 H new ATOM 863 N ASN A 60 5.771 9.120 4.121 1.00 0.00 N ATOM 864 CA ASN A 60 5.407 7.803 4.717 1.00 0.00 C ATOM 865 C ASN A 60 3.901 7.744 4.990 1.00 0.00 C ATOM 866 O ASN A 60 3.286 8.731 5.343 1.00 0.00 O ATOM 867 CB ASN A 60 6.193 7.727 6.026 1.00 0.00 C ATOM 868 CG ASN A 60 5.604 8.719 7.032 1.00 0.00 C ATOM 869 OD1 ASN A 60 5.588 9.910 6.790 1.00 0.00 O ATOM 870 ND2 ASN A 60 5.118 8.275 8.159 1.00 0.00 N ATOM 0 H ASN A 60 5.722 9.914 4.760 1.00 0.00 H new ATOM 0 HA ASN A 60 5.642 6.971 4.053 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.151 6.715 6.430 1.00 0.00 H new ATOM 0 HB3 ASN A 60 7.243 7.955 5.846 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.725 8.928 8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 60 5.132 7.275 8.362 1.00 0.00 H new ATOM 877 N HIS A 61 3.304 6.595 4.829 1.00 0.00 N ATOM 878 CA HIS A 61 1.839 6.475 5.079 1.00 0.00 C ATOM 879 C HIS A 61 1.385 5.025 4.885 1.00 0.00 C ATOM 880 O HIS A 61 2.089 4.217 4.313 1.00 0.00 O ATOM 881 CB HIS A 61 1.183 7.386 4.041 1.00 0.00 C ATOM 882 CG HIS A 61 1.296 6.759 2.678 1.00 0.00 C ATOM 883 ND1 HIS A 61 2.185 5.730 2.408 1.00 0.00 N ATOM 884 CD2 HIS A 61 0.638 7.005 1.498 1.00 0.00 C ATOM 885 CE1 HIS A 61 2.038 5.397 1.112 1.00 0.00 C ATOM 886 NE2 HIS A 61 1.108 6.144 0.511 1.00 0.00 N ATOM 0 H HIS A 61 3.766 5.735 4.535 1.00 0.00 H new ATOM 0 HA HIS A 61 1.570 6.758 6.097 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.135 7.546 4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 61 1.665 8.364 4.044 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.832 5.303 3.071 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.128 7.753 1.357 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.603 4.620 0.618 1.00 0.00 H new ATOM 894 N GLN A 62 0.216 4.691 5.357 1.00 0.00 N ATOM 895 CA GLN A 62 -0.281 3.293 5.198 1.00 0.00 C ATOM 896 C GLN A 62 -1.185 3.192 3.967 1.00 0.00 C ATOM 897 O GLN A 62 -2.279 3.722 3.943 1.00 0.00 O ATOM 898 CB GLN A 62 -1.074 3.008 6.473 1.00 0.00 C ATOM 899 CG GLN A 62 -0.118 2.938 7.665 1.00 0.00 C ATOM 900 CD GLN A 62 0.324 4.350 8.049 1.00 0.00 C ATOM 901 OE1 GLN A 62 1.313 4.847 7.548 1.00 0.00 O ATOM 902 NE2 GLN A 62 -0.370 5.023 8.925 1.00 0.00 N ATOM 0 H GLN A 62 -0.417 5.324 5.846 1.00 0.00 H new ATOM 0 HA GLN A 62 0.530 2.578 5.055 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.816 3.790 6.634 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.617 2.068 6.373 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.609 2.457 8.511 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.751 2.330 7.413 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.200 4.607 9.346 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -0.082 5.965 9.189 1.00 0.00 H new ATOM 911 N ILE A 63 -0.738 2.516 2.944 1.00 0.00 N ATOM 912 CA ILE A 63 -1.573 2.383 1.716 1.00 0.00 C ATOM 913 C ILE A 63 -2.633 1.295 1.910 1.00 0.00 C ATOM 914 O ILE A 63 -2.453 0.369 2.675 1.00 0.00 O ATOM 915 CB ILE A 63 -0.594 1.985 0.613 1.00 0.00 C ATOM 916 CG1 ILE A 63 0.431 3.104 0.414 1.00 0.00 C ATOM 917 CG2 ILE A 63 -1.359 1.756 -0.692 1.00 0.00 C ATOM 918 CD1 ILE A 63 1.404 2.713 -0.699 1.00 0.00 C ATOM 0 H ILE A 63 0.169 2.050 2.905 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.104 3.304 1.478 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.080 1.067 0.898 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.076 4.034 0.158 1.00 0.00 H new ATOM 0 HG13 ILE A 63 0.975 3.282 1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.660 1.472 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.089 0.959 -0.551 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.874 2.673 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.134 3.510 -0.841 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.920 1.793 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.853 2.557 -1.626 1.00 0.00 H new ATOM 930 N GLU A 64 -3.737 1.401 1.222 1.00 0.00 N ATOM 931 CA GLU A 64 -4.808 0.373 1.365 1.00 0.00 C ATOM 932 C GLU A 64 -5.012 -0.361 0.038 1.00 0.00 C ATOM 933 O GLU A 64 -5.126 0.247 -1.007 1.00 0.00 O ATOM 934 CB GLU A 64 -6.064 1.158 1.744 1.00 0.00 C ATOM 935 CG GLU A 64 -6.044 1.460 3.244 1.00 0.00 C ATOM 936 CD GLU A 64 -6.901 0.430 3.984 1.00 0.00 C ATOM 937 OE1 GLU A 64 -8.092 0.661 4.111 1.00 0.00 O ATOM 938 OE2 GLU A 64 -6.351 -0.572 4.410 1.00 0.00 O ATOM 0 H GLU A 64 -3.944 2.155 0.567 1.00 0.00 H new ATOM 0 HA GLU A 64 -4.561 -0.382 2.112 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.110 2.087 1.176 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.955 0.584 1.490 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -5.020 1.433 3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.424 2.465 3.429 1.00 0.00 H new ATOM 945 N PHE A 65 -5.060 -1.666 0.071 1.00 0.00 N ATOM 946 CA PHE A 65 -5.255 -2.436 -1.190 1.00 0.00 C ATOM 947 C PHE A 65 -6.328 -1.771 -2.056 1.00 0.00 C ATOM 948 O PHE A 65 -6.208 -1.695 -3.263 1.00 0.00 O ATOM 949 CB PHE A 65 -5.712 -3.823 -0.741 1.00 0.00 C ATOM 950 CG PHE A 65 -5.849 -4.722 -1.947 1.00 0.00 C ATOM 951 CD1 PHE A 65 -4.799 -4.821 -2.868 1.00 0.00 C ATOM 952 CD2 PHE A 65 -7.023 -5.457 -2.143 1.00 0.00 C ATOM 953 CE1 PHE A 65 -4.924 -5.654 -3.986 1.00 0.00 C ATOM 954 CE2 PHE A 65 -7.150 -6.289 -3.262 1.00 0.00 C ATOM 955 CZ PHE A 65 -6.100 -6.388 -4.183 1.00 0.00 C ATOM 0 H PHE A 65 -4.973 -2.231 0.916 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.346 -2.481 -1.790 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -4.993 -4.245 -0.039 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.665 -3.752 -0.217 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.892 -4.254 -2.716 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -7.832 -5.383 -1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -4.114 -5.730 -4.696 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.058 -6.854 -3.415 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.197 -7.031 -5.046 1.00 0.00 H new ATOM 965 N SER A 66 -7.379 -1.289 -1.450 1.00 0.00 N ATOM 966 CA SER A 66 -8.459 -0.630 -2.240 1.00 0.00 C ATOM 967 C SER A 66 -7.900 0.583 -2.990 1.00 0.00 C ATOM 968 O SER A 66 -7.650 0.530 -4.177 1.00 0.00 O ATOM 969 CB SER A 66 -9.493 -0.191 -1.206 1.00 0.00 C ATOM 970 OG SER A 66 -8.864 -0.057 0.061 1.00 0.00 O ATOM 0 H SER A 66 -7.537 -1.323 -0.443 1.00 0.00 H new ATOM 0 HA SER A 66 -8.889 -1.296 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 66 -9.942 0.757 -1.504 1.00 0.00 H new ATOM 0 HB3 SER A 66 -10.300 -0.922 -1.149 1.00 0.00 H new ATOM 0 HG SER A 66 -9.525 0.226 0.726 1.00 0.00 H new ATOM 976 N GLU A 67 -7.700 1.675 -2.304 1.00 0.00 N ATOM 977 CA GLU A 67 -7.156 2.889 -2.979 1.00 0.00 C ATOM 978 C GLU A 67 -5.957 2.514 -3.854 1.00 0.00 C ATOM 979 O GLU A 67 -5.812 2.991 -4.962 1.00 0.00 O ATOM 980 CB GLU A 67 -6.723 3.814 -1.841 1.00 0.00 C ATOM 981 CG GLU A 67 -5.608 3.144 -1.035 1.00 0.00 C ATOM 982 CD GLU A 67 -5.250 4.021 0.168 1.00 0.00 C ATOM 983 OE1 GLU A 67 -6.124 4.728 0.640 1.00 0.00 O ATOM 984 OE2 GLU A 67 -4.109 3.967 0.595 1.00 0.00 O ATOM 0 H GLU A 67 -7.889 1.780 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.889 3.363 -3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.374 4.765 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.572 4.034 -1.194 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.930 2.159 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -4.730 2.994 -1.663 1.00 0.00 H new ATOM 991 N PHE A 68 -5.097 1.664 -3.366 1.00 0.00 N ATOM 992 CA PHE A 68 -3.909 1.259 -4.170 1.00 0.00 C ATOM 993 C PHE A 68 -4.324 0.967 -5.615 1.00 0.00 C ATOM 994 O PHE A 68 -3.850 1.589 -6.545 1.00 0.00 O ATOM 995 CB PHE A 68 -3.386 -0.009 -3.494 1.00 0.00 C ATOM 996 CG PHE A 68 -2.416 -0.714 -4.413 1.00 0.00 C ATOM 997 CD1 PHE A 68 -1.694 0.016 -5.365 1.00 0.00 C ATOM 998 CD2 PHE A 68 -2.239 -2.099 -4.311 1.00 0.00 C ATOM 999 CE1 PHE A 68 -0.796 -0.640 -6.215 1.00 0.00 C ATOM 1000 CE2 PHE A 68 -1.340 -2.755 -5.161 1.00 0.00 C ATOM 1001 CZ PHE A 68 -0.619 -2.025 -6.114 1.00 0.00 C ATOM 0 H PHE A 68 -5.165 1.232 -2.445 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.150 2.041 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.893 0.245 -2.555 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -4.217 -0.671 -3.249 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.830 1.085 -5.443 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.796 -2.662 -3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.239 -0.077 -6.949 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.203 -3.823 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.073 -2.530 -6.771 1.00 0.00 H new ATOM 1011 N LEU A 69 -5.204 0.025 -5.809 1.00 0.00 N ATOM 1012 CA LEU A 69 -5.648 -0.307 -7.193 1.00 0.00 C ATOM 1013 C LEU A 69 -6.637 0.747 -7.698 1.00 0.00 C ATOM 1014 O LEU A 69 -6.688 1.051 -8.873 1.00 0.00 O ATOM 1015 CB LEU A 69 -6.329 -1.671 -7.072 1.00 0.00 C ATOM 1016 CG LEU A 69 -5.293 -2.780 -7.272 1.00 0.00 C ATOM 1017 CD1 LEU A 69 -4.054 -2.483 -6.425 1.00 0.00 C ATOM 1018 CD2 LEU A 69 -5.892 -4.120 -6.843 1.00 0.00 C ATOM 0 H LEU A 69 -5.635 -0.530 -5.070 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.819 -0.327 -7.901 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.798 -1.769 -6.093 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -7.121 -1.761 -7.815 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.011 -2.826 -8.324 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.317 -3.273 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.626 -1.528 -6.729 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.335 -2.436 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.155 -4.910 -6.985 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.175 -4.072 -5.791 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.774 -4.334 -7.446 1.00 0.00 H new ATOM 1030 N ALA A 70 -7.421 1.307 -6.819 1.00 0.00 N ATOM 1031 CA ALA A 70 -8.405 2.342 -7.250 1.00 0.00 C ATOM 1032 C ALA A 70 -7.681 3.500 -7.943 1.00 0.00 C ATOM 1033 O ALA A 70 -8.251 4.208 -8.750 1.00 0.00 O ATOM 1034 CB ALA A 70 -9.067 2.820 -5.958 1.00 0.00 C ATOM 0 H ALA A 70 -7.424 1.094 -5.822 1.00 0.00 H new ATOM 0 HA ALA A 70 -9.134 1.951 -7.960 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.807 3.586 -6.190 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -9.557 1.979 -5.467 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -8.310 3.237 -5.294 1.00 0.00 H new ATOM 1040 N LEU A 71 -6.429 3.697 -7.636 1.00 0.00 N ATOM 1041 CA LEU A 71 -5.668 4.808 -8.277 1.00 0.00 C ATOM 1042 C LEU A 71 -4.711 4.251 -9.334 1.00 0.00 C ATOM 1043 O LEU A 71 -4.487 4.858 -10.363 1.00 0.00 O ATOM 1044 CB LEU A 71 -4.886 5.461 -7.137 1.00 0.00 C ATOM 1045 CG LEU A 71 -5.783 6.467 -6.412 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -7.023 5.749 -5.875 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -5.012 7.092 -5.248 1.00 0.00 C ATOM 0 H LEU A 71 -5.899 3.137 -6.969 1.00 0.00 H new ATOM 0 HA LEU A 71 -6.321 5.519 -8.783 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -4.537 4.700 -6.439 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -4.002 5.963 -7.530 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.088 7.249 -7.107 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.663 6.465 -5.358 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.573 5.303 -6.704 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -6.718 4.967 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.651 7.809 -4.732 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.707 6.310 -4.552 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.128 7.603 -5.630 1.00 0.00 H new ATOM 1059 N MET A 72 -4.145 3.101 -9.089 1.00 0.00 N ATOM 1060 CA MET A 72 -3.203 2.507 -10.081 1.00 0.00 C ATOM 1061 C MET A 72 -3.893 2.353 -11.439 1.00 0.00 C ATOM 1062 O MET A 72 -3.257 2.367 -12.474 1.00 0.00 O ATOM 1063 CB MET A 72 -2.837 1.137 -9.507 1.00 0.00 C ATOM 1064 CG MET A 72 -1.327 1.068 -9.275 1.00 0.00 C ATOM 1065 SD MET A 72 -0.462 1.386 -10.833 1.00 0.00 S ATOM 1066 CE MET A 72 0.651 -0.040 -10.769 1.00 0.00 C ATOM 0 H MET A 72 -4.294 2.547 -8.246 1.00 0.00 H new ATOM 0 HA MET A 72 -2.323 3.131 -10.241 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.368 0.970 -8.570 1.00 0.00 H new ATOM 0 HB3 MET A 72 -3.147 0.349 -10.193 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.030 1.801 -8.525 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.052 0.087 -8.888 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.657 0.270 -11.052 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.667 -0.444 -9.757 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.300 -0.807 -11.460 1.00 0.00 H new ATOM 1076 N SER A 73 -5.190 2.208 -11.443 1.00 0.00 N ATOM 1077 CA SER A 73 -5.918 2.053 -12.736 1.00 0.00 C ATOM 1078 C SER A 73 -5.663 3.267 -13.635 1.00 0.00 C ATOM 1079 O SER A 73 -5.930 3.239 -14.820 1.00 0.00 O ATOM 1080 CB SER A 73 -7.395 1.972 -12.350 1.00 0.00 C ATOM 1081 OG SER A 73 -7.942 0.757 -12.843 1.00 0.00 O ATOM 0 H SER A 73 -5.777 2.190 -10.609 1.00 0.00 H new ATOM 0 HA SER A 73 -5.593 1.173 -13.291 1.00 0.00 H new ATOM 0 HB2 SER A 73 -7.503 2.020 -11.266 1.00 0.00 H new ATOM 0 HB3 SER A 73 -7.938 2.823 -12.762 1.00 0.00 H new ATOM 0 HG SER A 73 -8.889 0.700 -12.596 1.00 0.00 H new ATOM 1087 N ARG A 74 -5.151 4.331 -13.080 1.00 0.00 N ATOM 1088 CA ARG A 74 -4.880 5.544 -13.905 1.00 0.00 C ATOM 1089 C ARG A 74 -4.247 5.145 -15.241 1.00 0.00 C ATOM 1090 O ARG A 74 -4.627 5.629 -16.289 1.00 0.00 O ATOM 1091 CB ARG A 74 -3.903 6.378 -13.076 1.00 0.00 C ATOM 1092 CG ARG A 74 -4.088 7.859 -13.406 1.00 0.00 C ATOM 1093 CD ARG A 74 -3.432 8.168 -14.754 1.00 0.00 C ATOM 1094 NE ARG A 74 -4.558 8.201 -15.729 1.00 0.00 N ATOM 1095 CZ ARG A 74 -4.343 8.577 -16.960 1.00 0.00 C ATOM 1096 NH1 ARG A 74 -3.763 9.722 -17.201 1.00 0.00 N ATOM 1097 NH2 ARG A 74 -4.709 7.810 -17.950 1.00 0.00 N ATOM 0 H ARG A 74 -4.909 4.414 -12.093 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.790 6.096 -14.138 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -4.074 6.207 -12.013 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.878 6.073 -13.287 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.149 8.105 -13.441 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.644 8.475 -12.624 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.904 9.121 -14.727 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.700 7.406 -15.021 1.00 0.00 H new ATOM 0 HE ARG A 74 -5.496 7.930 -15.435 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -3.478 10.322 -16.427 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -3.595 10.016 -18.163 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.163 6.916 -17.762 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -4.541 8.104 -18.912 1.00 0.00 H new ATOM 1111 N GLN A 75 -3.284 4.265 -15.212 1.00 0.00 N ATOM 1112 CA GLN A 75 -2.627 3.836 -16.481 1.00 0.00 C ATOM 1113 C GLN A 75 -2.652 2.310 -16.600 1.00 0.00 C ATOM 1114 O GLN A 75 -3.407 1.749 -17.368 1.00 0.00 O ATOM 1115 CB GLN A 75 -1.189 4.343 -16.374 1.00 0.00 C ATOM 1116 CG GLN A 75 -0.825 5.118 -17.642 1.00 0.00 C ATOM 1117 CD GLN A 75 0.694 5.118 -17.822 1.00 0.00 C ATOM 1118 OE1 GLN A 75 1.380 4.260 -17.300 1.00 0.00 O ATOM 1119 NE2 GLN A 75 1.254 6.050 -18.544 1.00 0.00 N ATOM 0 H GLN A 75 -2.923 3.824 -14.366 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.133 4.231 -17.362 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.083 4.985 -15.500 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.506 3.505 -16.239 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.305 4.663 -18.509 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.194 6.141 -17.574 1.00 0.00 H new ATOM 0 HE21 GLN A 75 0.679 6.770 -18.982 1.00 0.00 H new ATOM 0 HE22 GLN A 75 2.266 6.058 -18.670 1.00 0.00 H new ATOM 1128 N LEU A 76 -1.830 1.633 -15.843 1.00 0.00 N ATOM 1129 CA LEU A 76 -1.807 0.144 -15.913 1.00 0.00 C ATOM 1130 C LEU A 76 -1.545 -0.314 -17.350 1.00 0.00 C ATOM 1131 O LEU A 76 -1.601 0.465 -18.280 1.00 0.00 O ATOM 1132 CB LEU A 76 -3.199 -0.295 -15.456 1.00 0.00 C ATOM 1133 CG LEU A 76 -3.129 -1.721 -14.907 1.00 0.00 C ATOM 1134 CD1 LEU A 76 -3.467 -1.711 -13.415 1.00 0.00 C ATOM 1135 CD2 LEU A 76 -4.135 -2.602 -15.651 1.00 0.00 C ATOM 0 H LEU A 76 -1.174 2.047 -15.180 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.020 -0.287 -15.294 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.572 0.383 -14.689 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.899 -0.249 -16.290 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.123 -2.116 -15.049 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.417 -2.727 -13.024 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.752 -1.082 -12.884 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.473 -1.316 -13.272 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -4.086 -3.619 -15.261 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.141 -2.206 -15.508 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -3.896 -2.609 -16.714 1.00 0.00 H new ATOM 1147 N LYS A 77 -1.259 -1.574 -17.538 1.00 0.00 N ATOM 1148 CA LYS A 77 -0.993 -2.080 -18.915 1.00 0.00 C ATOM 1149 C LYS A 77 -2.179 -2.912 -19.411 1.00 0.00 C ATOM 1150 O LYS A 77 -2.850 -2.464 -20.325 1.00 0.00 O ATOM 1151 CB LYS A 77 0.257 -2.953 -18.782 1.00 0.00 C ATOM 1152 CG LYS A 77 1.498 -2.061 -18.716 1.00 0.00 C ATOM 1153 CD LYS A 77 2.754 -2.924 -18.844 1.00 0.00 C ATOM 1154 CE LYS A 77 3.824 -2.158 -19.624 1.00 0.00 C ATOM 1155 NZ LYS A 77 3.350 -2.166 -21.036 1.00 0.00 N ATOM 1156 OXT LYS A 77 -2.394 -3.983 -18.868 1.00 0.00 O ATOM 0 H LYS A 77 -1.198 -2.274 -16.799 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.851 -1.271 -19.632 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.190 -3.568 -17.885 1.00 0.00 H new ATOM 0 HB3 LYS A 77 0.330 -3.634 -19.630 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.470 -1.321 -19.515 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.515 -1.513 -17.774 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.129 -3.188 -17.855 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.516 -3.858 -19.354 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.933 -1.140 -19.250 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.799 -2.637 -19.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.169 -2.180 -21.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.767 -3.011 -21.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 2.783 -1.313 -21.217 1.00 0.00 H new TER 1170 LYS A 77